data_15793_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15793
_Entry.PDB_ID 2K4B
_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 1 . 1 1 1 A 36 36 ALA HA H 36 4.250 4.323 -0.073 1
1 5 . 1 1 1 A 36 36 ALA CA C 36 55.550 54.188 1.362 1
1 6 . 1 1 1 A 36 36 ALA CB C 36 19.203 19.308 -0.105 1
1 7 . 1 1 1 A 39 39 ILE HA H 39 4.250 3.647 0.603 1
1 17 . 1 1 1 A 39 39 ILE CA C 39 58.724 65.402 -6.678 1
1 18 . 1 1 1 A 39 39 ILE CB C 39 38.496 37.633 0.863 1
1 22 . 1 1 1 A 40 40 VAL HA H 40 3.198 4.033 -0.835 1
1 30 . 1 1 1 A 40 40 VAL CA C 40 67.086 65.034 2.052 1
1 31 . 1 1 1 A 40 40 VAL CB C 40 30.969 31.259 -0.290 1
1 34 . 1 1 1 A 42 42 ARG HA H 42 3.770 4.505 -0.735 1
1 35 . 1 1 1 A 42 42 ARG CA C 42 55.107 58.957 -3.850 1
1 36 . 1 1 1 A 43 43 VAL H H 43 7.364 7.299 0.065 1
1 37 . 1 1 1 A 43 43 VAL HA H 43 3.506 3.809 -0.303 1
1 45 . 1 1 1 A 43 43 VAL C C 43 178.600 178.573 0.027 1
1 46 . 1 1 1 A 43 43 VAL CA C 43 66.598 65.308 1.290 1
1 47 . 1 1 1 A 43 43 VAL CB C 43 31.203 31.739 -0.536 1
1 50 . 1 1 1 A 43 43 VAL N N 43 119.765 119.115 0.650 1
1 51 . 1 1 1 A 44 44 ILE H H 44 7.829 7.664 0.165 1
1 52 . 1 1 1 A 44 44 ILE HA H 44 3.242 3.682 -0.440 1
1 62 . 1 1 1 A 44 44 ILE C C 44 178.289 178.382 -0.093 1
1 63 . 1 1 1 A 44 44 ILE CA C 44 66.146 64.885 1.261 1
1 64 . 1 1 1 A 44 44 ILE CB C 44 36.869 37.350 -0.481 1
1 68 . 1 1 1 A 44 44 ILE N N 44 120.991 122.017 -1.026 1
1 69 . 1 1 1 A 45 45 TRP H H 45 9.154 7.783 1.371 1
1 70 . 1 1 1 A 45 45 TRP HA H 45 4.377 4.133 0.244 1
1 77 . 1 1 1 A 45 45 TRP C C 45 179.154 178.914 0.240 1
1 78 . 1 1 1 A 45 45 TRP CA C 45 60.749 61.334 -0.585 1
1 79 . 1 1 1 A 45 45 TRP CB C 45 28.620 29.730 -1.110 1
1 80 . 1 1 1 A 45 45 TRP N N 45 119.877 122.819 -2.942 1
1 82 . 1 1 1 A 46 46 SER H H 46 7.556 7.619 -0.063 1
1 83 . 1 1 1 A 46 46 SER HA H 46 4.247 3.856 0.391 1
1 86 . 1 1 1 A 46 46 SER C C 46 175.737 177.126 -1.389 1
1 87 . 1 1 1 A 46 46 SER CA C 46 61.315 60.923 0.392 1
1 88 . 1 1 1 A 46 46 SER CB C 46 63.510 62.549 0.961 1
1 89 . 1 1 1 A 46 46 SER N N 46 113.170 114.439 -1.269 1
1 90 . 1 1 1 A 47 47 LEU H H 47 7.667 7.880 -0.213 1
1 91 . 1 1 1 A 47 47 LEU HA H 47 4.274 4.236 0.038 1
1 101 . 1 1 1 A 47 47 LEU C C 47 178.987 176.859 2.128 1
1 102 . 1 1 1 A 47 47 LEU CA C 47 55.835 56.308 -0.473 1
1 103 . 1 1 1 A 47 47 LEU CB C 47 43.548 43.115 0.433 1
1 107 . 1 1 1 A 47 47 LEU N N 47 120.838 121.684 -0.846 1
1 108 . 1 1 1 A 48 48 GLY H H 48 8.656 7.793 0.863 1
1 109 . 1 1 1 A 48 48 GLY HA2 H 48 4.373 4.067 0.306 1
1 110 . 1 1 1 A 48 48 GLY HA3 H 48 3.296 4.083 -0.787 1
1 111 . 1 1 1 A 48 48 GLY C C 48 173.625 173.933 -0.308 1
1 112 . 1 1 1 A 48 48 GLY CA C 48 46.944 45.793 1.151 1
1 113 . 1 1 1 A 48 48 GLY N N 48 113.217 107.740 5.477 1
1 114 . 1 1 1 A 49 49 GLU H H 49 7.347 8.297 -0.950 1
1 115 . 1 1 1 A 49 49 GLU HA H 49 4.830 4.953 -0.123 1
1 120 . 1 1 1 A 49 49 GLU C C 49 174.973 174.866 0.107 1
1 121 . 1 1 1 A 49 49 GLU CA C 49 55.026 55.243 -0.217 1
1 122 . 1 1 1 A 49 49 GLU CB C 49 31.947 32.321 -0.374 1
1 124 . 1 1 1 A 49 49 GLU N N 49 116.219 121.740 -5.521 1
1 125 . 1 1 1 A 50 50 ALA H H 50 8.598 9.234 -0.636 1
1 126 . 1 1 1 A 50 50 ALA HA H 50 4.817 5.356 -0.539 1
1 130 . 1 1 1 A 50 50 ALA C C 50 176.042 176.928 -0.886 1
1 131 . 1 1 1 A 50 50 ALA CA C 50 52.189 50.136 2.053 1
1 132 . 1 1 1 A 50 50 ALA CB C 50 24.738 21.751 2.987 1
1 133 . 1 1 1 A 50 50 ALA N N 50 122.121 127.714 -5.593 1
1 134 . 1 1 1 A 51 51 ARG H H 51 8.935 9.117 -0.182 1
1 135 . 1 1 1 A 51 51 ARG HA H 51 5.098 4.916 0.182 1
1 142 . 1 1 1 A 51 51 ARG C C 51 178.696 178.052 0.644 1
1 143 . 1 1 1 A 51 51 ARG CA C 51 54.995 55.467 -0.472 1
1 144 . 1 1 1 A 51 51 ARG CB C 51 32.605 31.109 1.496 1
1 147 . 1 1 1 A 51 51 ARG N N 51 121.019 122.258 -1.239 1
1 148 . 1 1 1 A 52 52 VAL H H 52 9.767 8.598 1.169 1
1 149 . 1 1 1 A 52 52 VAL HA H 52 3.494 4.062 -0.568 1
1 157 . 1 1 1 A 52 52 VAL C C 52 176.292 177.229 -0.937 1
1 158 . 1 1 1 A 52 52 VAL CA C 52 67.295 65.323 1.972 1
1 159 . 1 1 1 A 52 52 VAL CB C 52 31.427 31.928 -0.501 1
1 162 . 1 1 1 A 52 52 VAL N N 52 121.483 123.621 -2.138 1
1 163 . 1 1 1 A 53 53 ASP H H 53 8.640 8.997 -0.357 1
1 164 . 1 1 1 A 53 53 ASP HA H 53 4.199 4.505 -0.306 1
1 167 . 1 1 1 A 53 53 ASP C C 53 178.904 178.470 0.434 1
1 168 . 1 1 1 A 53 53 ASP CA C 53 56.797 56.656 0.141 1
1 169 . 1 1 1 A 53 53 ASP CB C 53 39.068 39.721 -0.653 1
1 170 . 1 1 1 A 53 53 ASP N N 53 116.987 121.107 -4.120 1
1 171 . 1 1 1 A 54 54 GLU H H 54 7.028 8.064 -1.036 1
1 172 . 1 1 1 A 54 54 GLU HA H 54 4.017 4.189 -0.172 1
1 176 . 1 1 1 A 54 54 GLU C C 54 178.696 178.944 -0.248 1
1 177 . 1 1 1 A 54 54 GLU CA C 54 58.261 59.159 -0.898 1
1 178 . 1 1 1 A 54 54 GLU CB C 54 30.742 29.854 0.888 1
1 180 . 1 1 1 A 54 54 GLU N N 54 119.862 120.601 -0.739 1
1 181 . 1 1 1 A 55 55 ILE H H 55 7.639 8.176 -0.537 1
1 182 . 1 1 1 A 55 55 ILE HA H 55 3.345 3.888 -0.543 1
1 192 . 1 1 1 A 55 55 ILE C C 55 177.945 177.612 0.333 1
1 193 . 1 1 1 A 55 55 ILE CA C 55 64.533 64.421 0.112 1
1 194 . 1 1 1 A 55 55 ILE CB C 55 38.824 37.673 1.151 1
1 198 . 1 1 1 A 55 55 ILE N N 55 118.743 118.533 0.210 1
1 199 . 1 1 1 A 56 56 TYR H H 56 8.548 8.058 0.490 1
1 200 . 1 1 1 A 56 56 TYR HA H 56 4.028 4.128 -0.100 1
1 207 . 1 1 1 A 56 56 TYR C C 56 177.279 178.125 -0.846 1
1 208 . 1 1 1 A 56 56 TYR CA C 56 61.046 62.183 -1.137 1
1 209 . 1 1 1 A 56 56 TYR CB C 56 38.746 38.558 0.188 1
1 210 . 1 1 1 A 56 56 TYR N N 56 117.394 124.206 -6.812 1
1 211 . 1 1 1 A 57 57 ALA H H 57 7.305 8.107 -0.802 1
1 212 . 1 1 1 A 57 57 ALA HA H 57 3.891 3.858 0.033 1
1 216 . 1 1 1 A 57 57 ALA C C 57 178.515 179.083 -0.568 1
1 217 . 1 1 1 A 57 57 ALA CA C 57 53.867 54.761 -0.894 1
1 218 . 1 1 1 A 57 57 ALA CB C 57 18.567 18.106 0.461 1
1 219 . 1 1 1 A 57 57 ALA N N 57 116.845 121.242 -4.397 1
1 220 . 1 1 1 A 58 58 GLN H H 58 7.182 7.397 -0.215 1
1 221 . 1 1 1 A 58 58 GLN HA H 58 4.182 4.338 -0.156 1
1 228 . 1 1 1 A 58 58 GLN C C 58 176.015 174.753 1.262 1
1 229 . 1 1 1 A 58 58 GLN CA C 58 54.679 56.415 -1.736 1
1 230 . 1 1 1 A 58 58 GLN CB C 58 29.584 29.136 0.448 1
1 232 . 1 1 1 A 58 58 GLN N N 58 113.228 114.214 -0.986 1
1 234 . 1 1 1 A 59 59 ILE H H 59 7.051 7.369 -0.318 1
1 235 . 1 1 1 A 59 59 ILE HA H 59 3.829 4.197 -0.368 1
1 245 . 1 1 1 A 59 59 ILE CA C 59 57.557 58.033 -0.476 1
1 246 . 1 1 1 A 59 59 ILE CB C 59 36.090 38.599 -2.509 1
1 250 . 1 1 1 A 59 59 ILE N N 59 121.926 121.052 0.874 1
1 251 . 1 1 1 A 60 60 PRO HA H 60 4.049 4.684 -0.635 1
1 258 . 1 1 1 A 60 60 PRO CA C 60 63.775 62.012 1.763 1
1 259 . 1 1 1 A 60 60 PRO CB C 60 32.050 33.042 -0.992 1
1 262 . 1 1 1 A 61 61 GLN H H 61 8.772 8.546 0.226 1
1 263 . 1 1 1 A 61 61 GLN HA H 61 3.772 3.997 -0.225 1
1 270 . 1 1 1 A 61 61 GLN C C 61 178.654 178.330 0.324 1
1 271 . 1 1 1 A 61 61 GLN CA C 61 58.761 58.938 -0.177 1
1 272 . 1 1 1 A 61 61 GLN CB C 61 28.318 28.319 -0.001 1
1 274 . 1 1 1 A 61 61 GLN N N 61 126.284 121.467 4.817 1
1 276 . 1 1 1 A 62 62 GLU H H 62 9.471 8.074 1.397 1
1 277 . 1 1 1 A 62 62 GLU HA H 62 3.971 4.023 -0.052 1
1 282 . 1 1 1 A 62 62 GLU C C 62 177.376 177.845 -0.469 1
1 283 . 1 1 1 A 62 62 GLU CA C 62 58.072 58.793 -0.721 1
1 284 . 1 1 1 A 62 62 GLU CB C 62 28.164 29.623 -1.459 1
1 286 . 1 1 1 A 62 62 GLU N N 62 118.102 119.956 -1.854 1
1 287 . 1 1 1 A 63 63 LEU H H 63 6.792 7.329 -0.537 1
1 288 . 1 1 1 A 63 63 LEU HA H 63 3.717 4.100 -0.383 1
1 298 . 1 1 1 A 63 63 LEU C C 63 176.570 176.333 0.237 1
1 299 . 1 1 1 A 63 63 LEU CA C 63 56.173 55.307 0.866 1
1 300 . 1 1 1 A 63 63 LEU CB C 63 39.610 42.261 -2.651 1
1 304 . 1 1 1 A 63 63 LEU N N 63 118.573 118.224 0.349 1
1 305 . 1 1 1 A 64 64 GLU H H 64 7.589 7.623 -0.034 1
1 306 . 1 1 1 A 64 64 GLU HA H 64 3.782 4.016 -0.234 1
1 311 . 1 1 1 A 64 64 GLU C C 64 176.723 175.978 0.745 1
1 312 . 1 1 1 A 64 64 GLU CA C 64 57.031 57.886 -0.855 1
1 313 . 1 1 1 A 64 64 GLU CB C 64 26.951 27.757 -0.806 1
1 315 . 1 1 1 A 64 64 GLU N N 64 112.960 115.751 -2.791 1
1 316 . 1 1 1 A 65 65 TRP H H 65 8.340 7.967 0.373 1
1 317 . 1 1 1 A 65 65 TRP HA H 65 5.097 4.723 0.374 1
1 323 . 1 1 1 A 65 65 TRP CA C 65 54.697 57.896 -3.199 1
1 324 . 1 1 1 A 65 65 TRP CB C 65 30.450 30.234 0.216 1
1 325 . 1 1 1 A 65 65 TRP N N 65 119.866 121.171 -1.305 1
1 327 . 1 1 1 A 66 66 SER HA H 66 4.700 5.051 -0.351 1
1 330 . 1 1 1 A 66 66 SER CA C 66 56.340 56.045 0.295 1
1 331 . 1 1 1 A 66 66 SER CB C 66 66.184 65.893 0.291 1
1 332 . 1 1 1 A 67 67 LEU H H 67 8.622 8.740 -0.118 1
1 333 . 1 1 1 A 67 67 LEU HA H 67 3.357 3.513 -0.156 1
1 343 . 1 1 1 A 67 67 LEU C C 67 178.779 178.424 0.355 1
1 344 . 1 1 1 A 67 67 LEU CA C 67 58.385 58.089 0.296 1
1 345 . 1 1 1 A 67 67 LEU CB C 67 41.218 41.062 0.156 1
1 349 . 1 1 1 A 67 67 LEU N N 67 123.216 126.740 -3.524 1
1 350 . 1 1 1 A 68 68 ALA H H 68 7.987 8.175 -0.188 1
1 351 . 1 1 1 A 68 68 ALA HA H 68 3.766 3.956 -0.190 1
1 355 . 1 1 1 A 68 68 ALA C C 68 180.626 180.202 0.424 1
1 356 . 1 1 1 A 68 68 ALA CA C 68 55.431 54.921 0.510 1
1 357 . 1 1 1 A 68 68 ALA CB C 68 17.780 17.953 -0.173 1
1 358 . 1 1 1 A 68 68 ALA N N 68 119.912 120.787 -0.875 1
1 359 . 1 1 1 A 69 69 THR H H 69 7.781 7.674 0.107 1
1 360 . 1 1 1 A 69 69 THR HA H 69 3.477 3.681 -0.204 1
1 365 . 1 1 1 A 69 69 THR C C 69 176.154 175.749 0.405 1
1 366 . 1 1 1 A 69 69 THR CA C 69 66.975 67.044 -0.069 1
1 367 . 1 1 1 A 69 69 THR CB C 69 68.525 68.826 -0.301 1
1 369 . 1 1 1 A 69 69 THR N N 69 118.256 114.916 3.340 1
1 370 . 1 1 1 A 70 70 VAL H H 70 7.373 7.780 -0.407 1
1 371 . 1 1 1 A 70 70 VAL HA H 70 3.201 3.658 -0.457 1
1 379 . 1 1 1 A 70 70 VAL C C 70 177.265 177.695 -0.430 1
1 380 . 1 1 1 A 70 70 VAL CA C 70 67.795 65.162 2.633 1
1 381 . 1 1 1 A 70 70 VAL CB C 70 31.342 31.324 0.018 1
1 384 . 1 1 1 A 70 70 VAL N N 70 120.502 120.368 0.134 1
1 385 . 1 1 1 A 71 71 LYS H H 71 8.521 7.562 0.959 1
1 386 . 1 1 1 A 71 71 LYS HA H 71 3.659 3.835 -0.176 1
1 395 . 1 1 1 A 71 71 LYS C C 71 180.154 179.176 0.978 1
1 396 . 1 1 1 A 71 71 LYS CA C 71 61.155 59.496 1.659 1
1 397 . 1 1 1 A 71 71 LYS CB C 71 32.114 32.352 -0.238 1
1 401 . 1 1 1 A 71 71 LYS N N 71 118.966 122.170 -3.204 1
1 402 . 1 1 1 A 72 72 THR H H 72 8.160 7.663 0.497 1
1 403 . 1 1 1 A 72 72 THR HA H 72 3.747 3.960 -0.213 1
1 408 . 1 1 1 A 72 72 THR C C 72 177.209 176.425 0.784 1
1 409 . 1 1 1 A 72 72 THR CA C 72 66.978 65.142 1.836 1
1 410 . 1 1 1 A 72 72 THR CB C 72 68.268 68.567 -0.299 1
1 412 . 1 1 1 A 72 72 THR N N 72 119.017 113.876 5.141 1
1 413 . 1 1 1 A 73 73 LEU H H 73 7.753 7.786 -0.033 1
1 414 . 1 1 1 A 73 73 LEU HA H 73 3.682 4.097 -0.415 1
1 424 . 1 1 1 A 73 73 LEU C C 73 178.821 178.497 0.324 1
1 425 . 1 1 1 A 73 73 LEU CA C 73 58.671 57.954 0.717 1
1 426 . 1 1 1 A 73 73 LEU CB C 73 42.182 41.483 0.699 1
1 430 . 1 1 1 A 73 73 LEU N N 73 123.340 122.474 0.866 1
1 431 . 1 1 1 A 74 74 LEU H H 74 8.341 8.470 -0.129 1
1 432 . 1 1 1 A 74 74 LEU HA H 74 3.551 3.868 -0.317 1
1 442 . 1 1 1 A 74 74 LEU C C 74 178.832 179.361 -0.529 1
1 443 . 1 1 1 A 74 74 LEU CA C 74 58.293 58.348 -0.055 1
1 444 . 1 1 1 A 74 74 LEU CB C 74 40.530 41.358 -0.828 1
1 448 . 1 1 1 A 74 74 LEU N N 74 118.538 119.169 -0.631 1
1 449 . 1 1 1 A 75 75 GLY H H 75 7.780 7.732 0.048 1
1 450 . 1 1 1 A 75 75 GLY HA2 H 75 3.648 3.886 -0.238 1
1 451 . 1 1 1 A 75 75 GLY HA3 H 75 3.767 3.907 -0.140 1
1 452 . 1 1 1 A 75 75 GLY C C 75 177.626 176.592 1.034 1
1 453 . 1 1 1 A 75 75 GLY CA C 75 47.290 46.871 0.419 1
1 454 . 1 1 1 A 75 75 GLY N N 75 103.878 104.951 -1.073 1
1 455 . 1 1 1 A 76 76 ARG H H 76 7.637 8.077 -0.440 1
1 456 . 1 1 1 A 76 76 ARG HA H 76 3.908 4.053 -0.145 1
1 463 . 1 1 1 A 76 76 ARG C C 76 179.001 178.483 0.518 1
1 464 . 1 1 1 A 76 76 ARG CA C 76 59.378 59.094 0.284 1
1 465 . 1 1 1 A 76 76 ARG CB C 76 30.767 30.330 0.437 1
1 468 . 1 1 1 A 76 76 ARG N N 76 122.469 122.450 0.019 1
1 469 . 1 1 1 A 77 77 LEU H H 77 7.922 8.109 -0.187 1
1 470 . 1 1 1 A 77 77 LEU HA H 77 3.812 4.161 -0.349 1
1 480 . 1 1 1 A 77 77 LEU C C 77 179.835 179.934 -0.099 1
1 481 . 1 1 1 A 77 77 LEU CA C 77 58.306 58.154 0.152 1
1 482 . 1 1 1 A 77 77 LEU CB C 77 42.365 41.643 0.722 1
1 486 . 1 1 1 A 77 77 LEU N N 77 120.640 120.235 0.405 1
1 487 . 1 1 1 A 78 78 VAL H H 78 8.287 8.163 0.124 1
1 488 . 1 1 1 A 78 78 VAL HA H 78 3.950 4.084 -0.134 1
1 496 . 1 1 1 A 78 78 VAL C C 78 181.099 177.620 3.479 1
1 497 . 1 1 1 A 78 78 VAL CA C 78 66.044 65.670 0.374 1
1 498 . 1 1 1 A 78 78 VAL CB C 78 32.287 31.225 1.062 1
1 501 . 1 1 1 A 78 78 VAL N N 78 121.179 113.627 7.552 1
1 502 . 1 1 1 A 79 79 LYS H H 79 7.836 7.483 0.353 1
1 503 . 1 1 1 A 79 79 LYS HA H 79 4.004 4.246 -0.242 1
1 512 . 1 1 1 A 79 79 LYS CA C 79 59.189 58.631 0.558 1
1 513 . 1 1 1 A 79 79 LYS CB C 79 29.238 32.703 -3.465 1
1 517 . 1 1 1 A 79 79 LYS N N 79 123.239 120.453 2.786 1
1 518 . 1 1 1 A 80 80 LYS HA H 80 4.179 4.399 -0.220 1
1 521 . 1 1 1 A 80 80 LYS CA C 80 57.269 55.806 1.463 1
1 522 . 1 1 1 A 80 80 LYS CB C 80 31.067 32.026 -0.959 1
1 523 . 1 1 1 A 81 81 GLU H H 81 7.801 8.075 -0.274 1
1 524 . 1 1 1 A 81 81 GLU HA H 81 4.513 4.086 0.427 1
1 527 . 1 1 1 A 81 81 GLU CA C 81 57.915 57.316 0.599 1
1 528 . 1 1 1 A 81 81 GLU CB C 81 26.150 26.954 -0.804 1
1 529 . 1 1 1 A 81 81 GLU N N 81 126.946 115.204 11.742 1
1 530 . 1 1 1 A 82 82 MET H H 82 7.978 7.733 0.245 1
1 531 . 1 1 1 A 82 82 MET HA H 82 3.781 4.471 -0.690 1
1 536 . 1 1 1 A 82 82 MET C C 82 176.695 176.158 0.537 1
1 537 . 1 1 1 A 82 82 MET CA C 82 57.599 58.281 -0.682 1
1 538 . 1 1 1 A 82 82 MET CB C 82 33.067 34.077 -1.010 1
1 540 . 1 1 1 A 82 82 MET N N 82 112.370 118.142 -5.772 1
1 541 . 1 1 1 A 83 83 LEU H H 83 6.928 7.597 -0.669 1
1 542 . 1 1 1 A 83 83 LEU HA H 83 5.042 4.938 0.104 1
1 548 . 1 1 1 A 83 83 LEU C C 83 175.376 175.443 -0.067 1
1 549 . 1 1 1 A 83 83 LEU CA C 83 52.193 53.093 -0.900 1
1 550 . 1 1 1 A 83 83 LEU CB C 83 48.040 46.098 1.942 1
1 553 . 1 1 1 A 83 83 LEU N N 83 116.646 117.315 -0.669 1
1 554 . 1 1 1 A 84 84 SER H H 84 9.089 8.820 0.269 1
1 555 . 1 1 1 A 84 84 SER HA H 84 4.711 5.423 -0.712 1
1 558 . 1 1 1 A 84 84 SER C C 84 173.496 173.270 0.226 1
1 559 . 1 1 1 A 84 84 SER CA C 84 56.311 57.502 -1.191 1
1 560 . 1 1 1 A 84 84 SER CB C 84 65.943 66.867 -0.924 1
1 561 . 1 1 1 A 84 84 SER N N 84 115.366 115.179 0.187 1
1 562 . 1 1 1 A 85 85 THR H H 85 8.091 8.786 -0.695 1
1 563 . 1 1 1 A 85 85 THR HA H 85 5.036 5.088 -0.052 1
1 568 . 1 1 1 A 85 85 THR C C 85 173.844 171.798 2.046 1
1 569 . 1 1 1 A 85 85 THR CA C 85 58.919 59.870 -0.951 1
1 570 . 1 1 1 A 85 85 THR CB C 85 71.518 71.453 0.065 1
1 572 . 1 1 1 A 85 85 THR N N 85 110.842 115.635 -4.793 1
1 573 . 1 1 1 A 86 86 GLU H H 86 8.128 9.069 -0.941 1
1 574 . 1 1 1 A 86 86 GLU HA H 86 4.413 5.022 -0.609 1
1 578 . 1 1 1 A 86 86 GLU C C 86 174.693 174.555 0.138 1
1 579 . 1 1 1 A 86 86 GLU CA C 86 54.405 54.658 -0.253 1
1 580 . 1 1 1 A 86 86 GLU CB C 86 33.099 34.301 -1.202 1
1 582 . 1 1 1 A 86 86 GLU N N 86 122.318 126.314 -3.996 1
1 583 . 1 1 1 A 87 87 LYS H H 87 8.622 8.387 0.235 1
1 584 . 1 1 1 A 87 87 LYS HA H 87 4.153 4.319 -0.166 1
1 593 . 1 1 1 A 87 87 LYS C C 87 175.909 175.215 0.694 1
1 594 . 1 1 1 A 87 87 LYS CA C 87 56.403 55.444 0.959 1
1 595 . 1 1 1 A 87 87 LYS CB C 87 32.960 33.108 -0.148 1
1 599 . 1 1 1 A 87 87 LYS N N 87 124.854 123.060 1.794 1
1 600 . 1 1 1 A 88 88 GLU HA H 88 4.276 4.701 -0.425 1
1 604 . 1 1 1 A 88 88 GLU C C 88 175.998 176.122 -0.124 1
1 605 . 1 1 1 A 88 88 GLU CA C 88 55.362 55.192 0.170 1
1 606 . 1 1 1 A 88 88 GLU CB C 88 30.945 33.723 -2.778 1
1 608 . 1 1 1 A 91 91 LYS H H 91 7.651 7.406 0.245 1
1 609 . 1 1 1 A 91 91 LYS HA H 91 4.456 4.896 -0.440 1
1 616 . 1 1 1 A 91 91 LYS C C 91 174.960 174.887 0.073 1
1 617 . 1 1 1 A 91 91 LYS CA C 91 54.992 54.369 0.623 1
1 618 . 1 1 1 A 91 91 LYS CB C 91 34.855 36.306 -1.451 1
1 622 . 1 1 1 A 91 91 LYS N N 91 119.096 118.255 0.841 1
1 623 . 1 1 1 A 92 92 PHE H H 92 7.904 9.002 -1.098 1
1 624 . 1 1 1 A 92 92 PHE HA H 92 4.772 5.066 -0.294 1
1 631 . 1 1 1 A 92 92 PHE C C 92 175.183 175.155 0.028 1
1 632 . 1 1 1 A 92 92 PHE CA C 92 57.762 57.393 0.369 1
1 633 . 1 1 1 A 92 92 PHE CB C 92 40.747 40.846 -0.099 1
1 634 . 1 1 1 A 92 92 PHE N N 92 118.936 118.334 0.602 1
1 635 . 1 1 1 A 93 93 VAL H H 93 8.626 9.187 -0.561 1
1 636 . 1 1 1 A 93 93 VAL HA H 93 4.090 4.724 -0.634 1
1 644 . 1 1 1 A 93 93 VAL C C 93 174.856 174.705 0.151 1
1 645 . 1 1 1 A 93 93 VAL CA C 93 61.228 61.605 -0.377 1
1 646 . 1 1 1 A 93 93 VAL CB C 93 33.595 33.516 0.079 1
1 648 . 1 1 1 A 93 93 VAL N N 93 120.649 121.720 -1.071 1
1 649 . 1 1 1 A 94 94 TYR H H 94 8.950 9.667 -0.717 1
1 650 . 1 1 1 A 94 94 TYR HA H 94 5.029 5.226 -0.197 1
1 657 . 1 1 1 A 94 94 TYR C C 94 175.242 175.624 -0.382 1
1 658 . 1 1 1 A 94 94 TYR CA C 94 57.619 57.055 0.564 1
1 659 . 1 1 1 A 94 94 TYR CB C 94 41.447 40.239 1.208 1
1 660 . 1 1 1 A 94 94 TYR N N 94 125.589 127.010 -1.421 1
1 661 . 1 1 1 A 95 95 ARG H H 95 8.275 9.310 -1.035 1
1 662 . 1 1 1 A 95 95 ARG HA H 95 5.001 5.085 -0.084 1
1 665 . 1 1 1 A 95 95 ARG CA C 95 53.055 53.938 -0.883 1
1 666 . 1 1 1 A 95 95 ARG N N 95 118.094 121.503 -3.409 1
1 670 . 1 1 1 A 96 96 PRO CA C 96 63.815 62.611 1.204 1
1 671 . 1 1 1 A 96 96 PRO CB C 96 33.778 32.841 0.937 1
1 673 . 1 1 1 A 97 97 LEU H H 97 7.862 8.425 -0.563 1
1 674 . 1 1 1 A 97 97 LEU HA H 97 4.054 5.009 -0.955 1
1 684 . 1 1 1 A 97 97 LEU CA C 97 55.208 53.139 2.069 1
1 685 . 1 1 1 A 97 97 LEU CB C 97 42.072 45.941 -3.869 1
1 1 . 2 1 1 A 36 36 ALA HA H 36 4.250 4.232 0.018 1
1 5 . 2 1 1 A 36 36 ALA CA C 36 55.550 54.679 0.871 1
1 6 . 2 1 1 A 36 36 ALA CB C 36 19.203 19.456 -0.253 1
1 7 . 2 1 1 A 39 39 ILE HA H 39 4.250 3.568 0.682 1
1 17 . 2 1 1 A 39 39 ILE CA C 39 58.724 65.316 -6.592 1
1 18 . 2 1 1 A 39 39 ILE CB C 39 38.496 37.559 0.937 1
1 22 . 2 1 1 A 40 40 VAL HA H 40 3.198 3.858 -0.660 1
1 30 . 2 1 1 A 40 40 VAL CA C 40 67.086 65.233 1.853 1
1 31 . 2 1 1 A 40 40 VAL CB C 40 30.969 31.502 -0.533 1
1 34 . 2 1 1 A 42 42 ARG HA H 42 3.770 4.315 -0.545 1
1 35 . 2 1 1 A 42 42 ARG CA C 42 55.107 58.892 -3.785 1
1 36 . 2 1 1 A 43 43 VAL H H 43 7.364 7.839 -0.475 1
1 37 . 2 1 1 A 43 43 VAL HA H 43 3.506 3.833 -0.327 1
1 45 . 2 1 1 A 43 43 VAL C C 43 178.600 178.415 0.185 1
1 46 . 2 1 1 A 43 43 VAL CA C 43 66.598 65.478 1.120 1
1 47 . 2 1 1 A 43 43 VAL CB C 43 31.203 31.536 -0.333 1
1 50 . 2 1 1 A 43 43 VAL N N 43 119.765 116.117 3.648 1
1 51 . 2 1 1 A 44 44 ILE H H 44 7.829 7.586 0.243 1
1 52 . 2 1 1 A 44 44 ILE HA H 44 3.242 3.786 -0.544 1
1 62 . 2 1 1 A 44 44 ILE C C 44 178.289 178.792 -0.503 1
1 63 . 2 1 1 A 44 44 ILE CA C 44 66.146 65.109 1.037 1
1 64 . 2 1 1 A 44 44 ILE CB C 44 36.869 37.759 -0.890 1
1 68 . 2 1 1 A 44 44 ILE N N 44 120.991 121.825 -0.834 1
1 69 . 2 1 1 A 45 45 TRP H H 45 9.154 8.310 0.844 1
1 70 . 2 1 1 A 45 45 TRP HA H 45 4.377 4.121 0.256 1
1 77 . 2 1 1 A 45 45 TRP C C 45 179.154 178.910 0.244 1
1 78 . 2 1 1 A 45 45 TRP CA C 45 60.749 61.109 -0.360 1
1 79 . 2 1 1 A 45 45 TRP CB C 45 28.620 29.684 -1.064 1
1 80 . 2 1 1 A 45 45 TRP N N 45 119.877 122.100 -2.223 1
1 82 . 2 1 1 A 46 46 SER H H 46 7.556 7.830 -0.274 1
1 83 . 2 1 1 A 46 46 SER HA H 46 4.247 4.287 -0.040 1
1 86 . 2 1 1 A 46 46 SER C C 46 175.737 177.038 -1.301 1
1 87 . 2 1 1 A 46 46 SER CA C 46 61.315 61.177 0.138 1
1 88 . 2 1 1 A 46 46 SER CB C 46 63.510 62.897 0.613 1
1 89 . 2 1 1 A 46 46 SER N N 46 113.170 114.641 -1.471 1
1 90 . 2 1 1 A 47 47 LEU H H 47 7.667 7.478 0.189 1
1 91 . 2 1 1 A 47 47 LEU HA H 47 4.274 4.133 0.141 1
1 101 . 2 1 1 A 47 47 LEU C C 47 178.987 176.933 2.054 1
1 102 . 2 1 1 A 47 47 LEU CA C 47 55.835 56.828 -0.993 1
1 103 . 2 1 1 A 47 47 LEU CB C 47 43.548 43.161 0.387 1
1 107 . 2 1 1 A 47 47 LEU N N 47 120.838 121.893 -1.055 1
1 108 . 2 1 1 A 48 48 GLY H H 48 8.656 7.588 1.068 1
1 109 . 2 1 1 A 48 48 GLY HA2 H 48 4.373 3.953 0.420 1
1 110 . 2 1 1 A 48 48 GLY HA3 H 48 3.296 3.997 -0.701 1
1 111 . 2 1 1 A 48 48 GLY C C 48 173.625 174.054 -0.429 1
1 112 . 2 1 1 A 48 48 GLY CA C 48 46.944 45.657 1.287 1
1 113 . 2 1 1 A 48 48 GLY N N 48 113.217 107.181 6.036 1
1 114 . 2 1 1 A 49 49 GLU H H 49 7.347 8.176 -0.829 1
1 115 . 2 1 1 A 49 49 GLU HA H 49 4.830 4.874 -0.044 1
1 120 . 2 1 1 A 49 49 GLU C C 49 174.973 175.310 -0.337 1
1 121 . 2 1 1 A 49 49 GLU CA C 49 55.026 55.116 -0.090 1
1 122 . 2 1 1 A 49 49 GLU CB C 49 31.947 32.019 -0.072 1
1 124 . 2 1 1 A 49 49 GLU N N 49 116.219 121.000 -4.781 1
1 125 . 2 1 1 A 50 50 ALA H H 50 8.598 9.322 -0.724 1
1 126 . 2 1 1 A 50 50 ALA HA H 50 4.817 5.332 -0.515 1
1 130 . 2 1 1 A 50 50 ALA C C 50 176.042 176.736 -0.694 1
1 131 . 2 1 1 A 50 50 ALA CA C 50 52.189 50.292 1.897 1
1 132 . 2 1 1 A 50 50 ALA CB C 50 24.738 23.302 1.436 1
1 133 . 2 1 1 A 50 50 ALA N N 50 122.121 127.688 -5.567 1
1 134 . 2 1 1 A 51 51 ARG H H 51 8.935 8.433 0.502 1
1 135 . 2 1 1 A 51 51 ARG HA H 51 5.098 5.101 -0.003 1
1 142 . 2 1 1 A 51 51 ARG C C 51 178.696 177.013 1.683 1
1 143 . 2 1 1 A 51 51 ARG CA C 51 54.995 54.366 0.629 1
1 144 . 2 1 1 A 51 51 ARG CB C 51 32.605 31.848 0.757 1
1 147 . 2 1 1 A 51 51 ARG N N 51 121.019 118.837 2.182 1
1 148 . 2 1 1 A 52 52 VAL H H 52 9.767 8.922 0.845 1
1 149 . 2 1 1 A 52 52 VAL HA H 52 3.494 3.920 -0.426 1
1 157 . 2 1 1 A 52 52 VAL C C 52 176.292 176.990 -0.698 1
1 158 . 2 1 1 A 52 52 VAL CA C 52 67.295 65.250 2.045 1
1 159 . 2 1 1 A 52 52 VAL CB C 52 31.427 31.929 -0.502 1
1 162 . 2 1 1 A 52 52 VAL N N 52 121.483 120.144 1.339 1
1 163 . 2 1 1 A 53 53 ASP H H 53 8.640 8.994 -0.354 1
1 164 . 2 1 1 A 53 53 ASP HA H 53 4.199 4.513 -0.314 1
1 167 . 2 1 1 A 53 53 ASP C C 53 178.904 178.592 0.312 1
1 168 . 2 1 1 A 53 53 ASP CA C 53 56.797 55.973 0.824 1
1 169 . 2 1 1 A 53 53 ASP CB C 53 39.068 39.060 0.008 1
1 170 . 2 1 1 A 53 53 ASP N N 53 116.987 119.731 -2.744 1
1 171 . 2 1 1 A 54 54 GLU H H 54 7.028 8.094 -1.066 1
1 172 . 2 1 1 A 54 54 GLU HA H 54 4.017 4.140 -0.123 1
1 176 . 2 1 1 A 54 54 GLU C C 54 178.696 179.111 -0.415 1
1 177 . 2 1 1 A 54 54 GLU CA C 54 58.261 58.901 -0.640 1
1 178 . 2 1 1 A 54 54 GLU CB C 54 30.742 29.869 0.873 1
1 180 . 2 1 1 A 54 54 GLU N N 54 119.862 118.919 0.943 1
1 181 . 2 1 1 A 55 55 ILE H H 55 7.639 8.180 -0.541 1
1 182 . 2 1 1 A 55 55 ILE HA H 55 3.345 3.864 -0.519 1
1 192 . 2 1 1 A 55 55 ILE C C 55 177.945 177.631 0.314 1
1 193 . 2 1 1 A 55 55 ILE CA C 55 64.533 64.443 0.090 1
1 194 . 2 1 1 A 55 55 ILE CB C 55 38.824 37.707 1.117 1
1 198 . 2 1 1 A 55 55 ILE N N 55 118.743 119.498 -0.755 1
1 199 . 2 1 1 A 56 56 TYR H H 56 8.548 7.970 0.578 1
1 200 . 2 1 1 A 56 56 TYR HA H 56 4.028 4.132 -0.104 1
1 207 . 2 1 1 A 56 56 TYR C C 56 177.279 178.293 -1.014 1
1 208 . 2 1 1 A 56 56 TYR CA C 56 61.046 62.287 -1.241 1
1 209 . 2 1 1 A 56 56 TYR CB C 56 38.746 38.625 0.121 1
1 210 . 2 1 1 A 56 56 TYR N N 56 117.394 124.213 -6.819 1
1 211 . 2 1 1 A 57 57 ALA H H 57 7.305 8.346 -1.041 1
1 212 . 2 1 1 A 57 57 ALA HA H 57 3.891 3.971 -0.080 1
1 216 . 2 1 1 A 57 57 ALA C C 57 178.515 178.944 -0.429 1
1 217 . 2 1 1 A 57 57 ALA CA C 57 53.867 54.705 -0.838 1
1 218 . 2 1 1 A 57 57 ALA CB C 57 18.567 18.124 0.443 1
1 219 . 2 1 1 A 57 57 ALA N N 57 116.845 121.471 -4.626 1
1 220 . 2 1 1 A 58 58 GLN H H 58 7.182 7.399 -0.217 1
1 221 . 2 1 1 A 58 58 GLN HA H 58 4.182 4.263 -0.081 1
1 228 . 2 1 1 A 58 58 GLN C C 58 176.015 175.106 0.909 1
1 229 . 2 1 1 A 58 58 GLN CA C 58 54.679 56.292 -1.613 1
1 230 . 2 1 1 A 58 58 GLN CB C 58 29.584 29.114 0.470 1
1 232 . 2 1 1 A 58 58 GLN N N 58 113.228 114.414 -1.186 1
1 234 . 2 1 1 A 59 59 ILE H H 59 7.051 7.329 -0.278 1
1 235 . 2 1 1 A 59 59 ILE HA H 59 3.829 4.092 -0.263 1
1 245 . 2 1 1 A 59 59 ILE CA C 59 57.557 58.004 -0.447 1
1 246 . 2 1 1 A 59 59 ILE CB C 59 36.090 38.309 -2.219 1
1 250 . 2 1 1 A 59 59 ILE N N 59 121.926 121.556 0.370 1
1 251 . 2 1 1 A 60 60 PRO HA H 60 4.049 4.605 -0.556 1
1 258 . 2 1 1 A 60 60 PRO CA C 60 63.775 62.074 1.701 1
1 259 . 2 1 1 A 60 60 PRO CB C 60 32.050 32.844 -0.794 1
1 262 . 2 1 1 A 61 61 GLN H H 61 8.772 8.541 0.231 1
1 263 . 2 1 1 A 61 61 GLN HA H 61 3.772 3.936 -0.164 1
1 270 . 2 1 1 A 61 61 GLN C C 61 178.654 178.338 0.316 1
1 271 . 2 1 1 A 61 61 GLN CA C 61 58.761 59.230 -0.469 1
1 272 . 2 1 1 A 61 61 GLN CB C 61 28.318 28.391 -0.073 1
1 274 . 2 1 1 A 61 61 GLN N N 61 126.284 121.613 4.671 1
1 276 . 2 1 1 A 62 62 GLU H H 62 9.471 8.221 1.250 1
1 277 . 2 1 1 A 62 62 GLU HA H 62 3.971 4.047 -0.076 1
1 282 . 2 1 1 A 62 62 GLU C C 62 177.376 177.972 -0.596 1
1 283 . 2 1 1 A 62 62 GLU CA C 62 58.072 58.797 -0.725 1
1 284 . 2 1 1 A 62 62 GLU CB C 62 28.164 29.594 -1.430 1
1 286 . 2 1 1 A 62 62 GLU N N 62 118.102 118.969 -0.867 1
1 287 . 2 1 1 A 63 63 LEU H H 63 6.792 7.568 -0.776 1
1 288 . 2 1 1 A 63 63 LEU HA H 63 3.717 4.237 -0.520 1
1 298 . 2 1 1 A 63 63 LEU C C 63 176.570 176.315 0.255 1
1 299 . 2 1 1 A 63 63 LEU CA C 63 56.173 54.923 1.250 1
1 300 . 2 1 1 A 63 63 LEU CB C 63 39.610 42.203 -2.593 1
1 304 . 2 1 1 A 63 63 LEU N N 63 118.573 118.026 0.547 1
1 305 . 2 1 1 A 64 64 GLU H H 64 7.589 7.691 -0.102 1
1 306 . 2 1 1 A 64 64 GLU HA H 64 3.782 4.045 -0.263 1
1 311 . 2 1 1 A 64 64 GLU C C 64 176.723 175.798 0.925 1
1 312 . 2 1 1 A 64 64 GLU CA C 64 57.031 57.769 -0.738 1
1 313 . 2 1 1 A 64 64 GLU CB C 64 26.951 27.572 -0.621 1
1 315 . 2 1 1 A 64 64 GLU N N 64 112.960 115.806 -2.846 1
1 316 . 2 1 1 A 65 65 TRP H H 65 8.340 7.959 0.381 1
1 317 . 2 1 1 A 65 65 TRP HA H 65 5.097 4.690 0.407 1
1 323 . 2 1 1 A 65 65 TRP CA C 65 54.697 57.911 -3.214 1
1 324 . 2 1 1 A 65 65 TRP CB C 65 30.450 30.325 0.125 1
1 325 . 2 1 1 A 65 65 TRP N N 65 119.866 121.320 -1.454 1
1 327 . 2 1 1 A 66 66 SER HA H 66 4.700 4.647 0.053 1
1 330 . 2 1 1 A 66 66 SER CA C 66 56.340 58.419 -2.079 1
1 331 . 2 1 1 A 66 66 SER CB C 66 66.184 64.060 2.124 1
1 332 . 2 1 1 A 67 67 LEU H H 67 8.622 8.610 0.012 1
1 333 . 2 1 1 A 67 67 LEU HA H 67 3.357 3.568 -0.211 1
1 343 . 2 1 1 A 67 67 LEU C C 67 178.779 178.519 0.260 1
1 344 . 2 1 1 A 67 67 LEU CA C 67 58.385 58.097 0.288 1
1 345 . 2 1 1 A 67 67 LEU CB C 67 41.218 40.894 0.324 1
1 349 . 2 1 1 A 67 67 LEU N N 67 123.216 127.671 -4.455 1
1 350 . 2 1 1 A 68 68 ALA H H 68 7.987 8.184 -0.197 1
1 351 . 2 1 1 A 68 68 ALA HA H 68 3.766 3.972 -0.206 1
1 355 . 2 1 1 A 68 68 ALA C C 68 180.626 180.105 0.521 1
1 356 . 2 1 1 A 68 68 ALA CA C 68 55.431 55.000 0.431 1
1 357 . 2 1 1 A 68 68 ALA CB C 68 17.780 17.934 -0.154 1
1 358 . 2 1 1 A 68 68 ALA N N 68 119.912 120.976 -1.064 1
1 359 . 2 1 1 A 69 69 THR H H 69 7.781 7.879 -0.098 1
1 360 . 2 1 1 A 69 69 THR HA H 69 3.477 3.717 -0.240 1
1 365 . 2 1 1 A 69 69 THR C C 69 176.154 176.033 0.121 1
1 366 . 2 1 1 A 69 69 THR CA C 69 66.975 66.998 -0.023 1
1 367 . 2 1 1 A 69 69 THR CB C 69 68.525 68.638 -0.113 1
1 369 . 2 1 1 A 69 69 THR N N 69 118.256 114.977 3.279 1
1 370 . 2 1 1 A 70 70 VAL H H 70 7.373 8.275 -0.902 1
1 371 . 2 1 1 A 70 70 VAL HA H 70 3.201 3.861 -0.660 1
1 379 . 2 1 1 A 70 70 VAL C C 70 177.265 177.583 -0.318 1
1 380 . 2 1 1 A 70 70 VAL CA C 70 67.795 65.288 2.507 1
1 381 . 2 1 1 A 70 70 VAL CB C 70 31.342 31.106 0.236 1
1 384 . 2 1 1 A 70 70 VAL N N 70 120.502 120.605 -0.103 1
1 385 . 2 1 1 A 71 71 LYS H H 71 8.521 7.211 1.310 1
1 386 . 2 1 1 A 71 71 LYS HA H 71 3.659 3.901 -0.242 1
1 395 . 2 1 1 A 71 71 LYS C C 71 180.154 179.726 0.428 1
1 396 . 2 1 1 A 71 71 LYS CA C 71 61.155 59.431 1.724 1
1 397 . 2 1 1 A 71 71 LYS CB C 71 32.114 32.147 -0.033 1
1 401 . 2 1 1 A 71 71 LYS N N 71 118.966 122.794 -3.828 1
1 402 . 2 1 1 A 72 72 THR H H 72 8.160 7.753 0.407 1
1 403 . 2 1 1 A 72 72 THR HA H 72 3.747 3.986 -0.239 1
1 408 . 2 1 1 A 72 72 THR C C 72 177.209 176.557 0.652 1
1 409 . 2 1 1 A 72 72 THR CA C 72 66.978 65.098 1.880 1
1 410 . 2 1 1 A 72 72 THR CB C 72 68.268 68.640 -0.372 1
1 412 . 2 1 1 A 72 72 THR N N 72 119.017 114.096 4.921 1
1 413 . 2 1 1 A 73 73 LEU H H 73 7.753 7.915 -0.162 1
1 414 . 2 1 1 A 73 73 LEU HA H 73 3.682 4.165 -0.483 1
1 424 . 2 1 1 A 73 73 LEU C C 73 178.821 178.536 0.285 1
1 425 . 2 1 1 A 73 73 LEU CA C 73 58.671 57.998 0.673 1
1 426 . 2 1 1 A 73 73 LEU CB C 73 42.182 41.677 0.505 1
1 430 . 2 1 1 A 73 73 LEU N N 73 123.340 122.236 1.104 1
1 431 . 2 1 1 A 74 74 LEU H H 74 8.341 8.568 -0.227 1
1 432 . 2 1 1 A 74 74 LEU HA H 74 3.551 3.887 -0.336 1
1 442 . 2 1 1 A 74 74 LEU C C 74 178.832 179.363 -0.531 1
1 443 . 2 1 1 A 74 74 LEU CA C 74 58.293 58.428 -0.135 1
1 444 . 2 1 1 A 74 74 LEU CB C 74 40.530 41.448 -0.918 1
1 448 . 2 1 1 A 74 74 LEU N N 74 118.538 119.607 -1.069 1
1 449 . 2 1 1 A 75 75 GLY H H 75 7.780 7.765 0.015 1
1 450 . 2 1 1 A 75 75 GLY HA2 H 75 3.648 3.897 -0.249 1
1 451 . 2 1 1 A 75 75 GLY HA3 H 75 3.767 3.928 -0.161 1
1 452 . 2 1 1 A 75 75 GLY C C 75 177.626 176.602 1.024 1
1 453 . 2 1 1 A 75 75 GLY CA C 75 47.290 46.938 0.352 1
1 454 . 2 1 1 A 75 75 GLY N N 75 103.878 104.985 -1.107 1
1 455 . 2 1 1 A 76 76 ARG H H 76 7.637 8.104 -0.467 1
1 456 . 2 1 1 A 76 76 ARG HA H 76 3.908 4.073 -0.165 1
1 463 . 2 1 1 A 76 76 ARG C C 76 179.001 178.849 0.152 1
1 464 . 2 1 1 A 76 76 ARG CA C 76 59.378 58.966 0.412 1
1 465 . 2 1 1 A 76 76 ARG CB C 76 30.767 29.916 0.851 1
1 468 . 2 1 1 A 76 76 ARG N N 76 122.469 122.466 0.003 1
1 469 . 2 1 1 A 77 77 LEU H H 77 7.922 8.072 -0.150 1
1 470 . 2 1 1 A 77 77 LEU HA H 77 3.812 4.080 -0.268 1
1 480 . 2 1 1 A 77 77 LEU C C 77 179.835 179.375 0.460 1
1 481 . 2 1 1 A 77 77 LEU CA C 77 58.306 58.108 0.198 1
1 482 . 2 1 1 A 77 77 LEU CB C 77 42.365 42.072 0.293 1
1 486 . 2 1 1 A 77 77 LEU N N 77 120.640 120.384 0.256 1
1 487 . 2 1 1 A 78 78 VAL H H 78 8.287 8.193 0.094 1
1 488 . 2 1 1 A 78 78 VAL HA H 78 3.950 3.856 0.094 1
1 496 . 2 1 1 A 78 78 VAL C C 78 181.099 178.029 3.070 1
1 497 . 2 1 1 A 78 78 VAL CA C 78 66.044 65.978 0.066 1
1 498 . 2 1 1 A 78 78 VAL CB C 78 32.287 31.557 0.730 1
1 501 . 2 1 1 A 78 78 VAL N N 78 121.179 114.190 6.989 1
1 502 . 2 1 1 A 79 79 LYS H H 79 7.836 7.835 0.001 1
1 503 . 2 1 1 A 79 79 LYS HA H 79 4.004 4.110 -0.106 1
1 512 . 2 1 1 A 79 79 LYS CA C 79 59.189 59.312 -0.123 1
1 513 . 2 1 1 A 79 79 LYS CB C 79 29.238 31.896 -2.658 1
1 517 . 2 1 1 A 79 79 LYS N N 79 123.239 120.800 2.439 1
1 518 . 2 1 1 A 80 80 LYS HA H 80 4.179 4.466 -0.287 1
1 521 . 2 1 1 A 80 80 LYS CA C 80 57.269 55.493 1.776 1
1 522 . 2 1 1 A 80 80 LYS CB C 80 31.067 32.689 -1.622 1
1 523 . 2 1 1 A 81 81 GLU H H 81 7.801 7.908 -0.107 1
1 524 . 2 1 1 A 81 81 GLU HA H 81 4.513 4.092 0.421 1
1 527 . 2 1 1 A 81 81 GLU CA C 81 57.915 57.732 0.183 1
1 528 . 2 1 1 A 81 81 GLU CB C 81 26.150 28.683 -2.533 1
1 529 . 2 1 1 A 81 81 GLU N N 81 126.946 119.695 7.251 1
1 530 . 2 1 1 A 82 82 MET H H 82 7.978 8.112 -0.134 1
1 531 . 2 1 1 A 82 82 MET HA H 82 3.781 4.481 -0.700 1
1 536 . 2 1 1 A 82 82 MET C C 82 176.695 176.117 0.578 1
1 537 . 2 1 1 A 82 82 MET CA C 82 57.599 57.414 0.185 1
1 538 . 2 1 1 A 82 82 MET CB C 82 33.067 34.097 -1.030 1
1 540 . 2 1 1 A 82 82 MET N N 82 112.370 116.964 -4.594 1
1 541 . 2 1 1 A 83 83 LEU H H 83 6.928 7.670 -0.742 1
1 542 . 2 1 1 A 83 83 LEU HA H 83 5.042 5.016 0.026 1
1 548 . 2 1 1 A 83 83 LEU C C 83 175.376 175.838 -0.462 1
1 549 . 2 1 1 A 83 83 LEU CA C 83 52.193 53.175 -0.982 1
1 550 . 2 1 1 A 83 83 LEU CB C 83 48.040 45.414 2.626 1
1 553 . 2 1 1 A 83 83 LEU N N 83 116.646 118.193 -1.547 1
1 554 . 2 1 1 A 84 84 SER H H 84 9.089 8.780 0.309 1
1 555 . 2 1 1 A 84 84 SER HA H 84 4.711 5.372 -0.661 1
1 558 . 2 1 1 A 84 84 SER C C 84 173.496 173.454 0.042 1
1 559 . 2 1 1 A 84 84 SER CA C 84 56.311 57.051 -0.740 1
1 560 . 2 1 1 A 84 84 SER CB C 84 65.943 66.353 -0.410 1
1 561 . 2 1 1 A 84 84 SER N N 84 115.366 117.538 -2.172 1
1 562 . 2 1 1 A 85 85 THR H H 85 8.091 8.805 -0.714 1
1 563 . 2 1 1 A 85 85 THR HA H 85 5.036 4.893 0.143 1
1 568 . 2 1 1 A 85 85 THR C C 85 173.844 171.733 2.111 1
1 569 . 2 1 1 A 85 85 THR CA C 85 58.919 60.395 -1.476 1
1 570 . 2 1 1 A 85 85 THR CB C 85 71.518 70.796 0.722 1
1 572 . 2 1 1 A 85 85 THR N N 85 110.842 116.927 -6.085 1
1 573 . 2 1 1 A 86 86 GLU H H 86 8.128 8.755 -0.627 1
1 574 . 2 1 1 A 86 86 GLU HA H 86 4.413 4.915 -0.502 1
1 578 . 2 1 1 A 86 86 GLU C C 86 174.693 174.220 0.473 1
1 579 . 2 1 1 A 86 86 GLU CA C 86 54.405 54.424 -0.019 1
1 580 . 2 1 1 A 86 86 GLU CB C 86 33.099 34.172 -1.073 1
1 582 . 2 1 1 A 86 86 GLU N N 86 122.318 125.350 -3.032 1
1 583 . 2 1 1 A 87 87 LYS H H 87 8.622 8.158 0.464 1
1 584 . 2 1 1 A 87 87 LYS HA H 87 4.153 3.369 0.784 1
1 593 . 2 1 1 A 87 87 LYS C C 87 175.909 174.570 1.339 1
1 594 . 2 1 1 A 87 87 LYS CA C 87 56.403 55.602 0.801 1
1 595 . 2 1 1 A 87 87 LYS CB C 87 32.960 32.655 0.305 1
1 599 . 2 1 1 A 87 87 LYS N N 87 124.854 123.061 1.793 1
1 600 . 2 1 1 A 88 88 GLU HA H 88 4.276 4.501 -0.225 1
1 604 . 2 1 1 A 88 88 GLU C C 88 175.998 176.405 -0.407 1
1 605 . 2 1 1 A 88 88 GLU CA C 88 55.362 55.160 0.202 1
1 606 . 2 1 1 A 88 88 GLU CB C 88 30.945 30.047 0.898 1
1 608 . 2 1 1 A 91 91 LYS H H 91 7.651 7.456 0.195 1
1 609 . 2 1 1 A 91 91 LYS HA H 91 4.456 4.935 -0.479 1
1 616 . 2 1 1 A 91 91 LYS C C 91 174.960 174.846 0.114 1
1 617 . 2 1 1 A 91 91 LYS CA C 91 54.992 54.346 0.646 1
1 618 . 2 1 1 A 91 91 LYS CB C 91 34.855 35.447 -0.592 1
1 622 . 2 1 1 A 91 91 LYS N N 91 119.096 121.925 -2.829 1
1 623 . 2 1 1 A 92 92 PHE H H 92 7.904 9.000 -1.096 1
1 624 . 2 1 1 A 92 92 PHE HA H 92 4.772 5.066 -0.294 1
1 631 . 2 1 1 A 92 92 PHE C C 92 175.183 174.424 0.759 1
1 632 . 2 1 1 A 92 92 PHE CA C 92 57.762 56.721 1.041 1
1 633 . 2 1 1 A 92 92 PHE CB C 92 40.747 42.056 -1.309 1
1 634 . 2 1 1 A 92 92 PHE N N 92 118.936 121.488 -2.552 1
1 635 . 2 1 1 A 93 93 VAL H H 93 8.626 9.047 -0.421 1
1 636 . 2 1 1 A 93 93 VAL HA H 93 4.090 4.846 -0.756 1
1 644 . 2 1 1 A 93 93 VAL C C 93 174.856 174.744 0.112 1
1 645 . 2 1 1 A 93 93 VAL CA C 93 61.228 61.464 -0.236 1
1 646 . 2 1 1 A 93 93 VAL CB C 93 33.595 33.143 0.452 1
1 648 . 2 1 1 A 93 93 VAL N N 93 120.649 123.103 -2.454 1
1 649 . 2 1 1 A 94 94 TYR H H 94 8.950 9.698 -0.748 1
1 650 . 2 1 1 A 94 94 TYR HA H 94 5.029 5.339 -0.310 1
1 657 . 2 1 1 A 94 94 TYR C C 94 175.242 175.103 0.139 1
1 658 . 2 1 1 A 94 94 TYR CA C 94 57.619 56.330 1.289 1
1 659 . 2 1 1 A 94 94 TYR CB C 94 41.447 41.405 0.042 1
1 660 . 2 1 1 A 94 94 TYR N N 94 125.589 126.734 -1.145 1
1 661 . 2 1 1 A 95 95 ARG H H 95 8.275 8.924 -0.649 1
1 662 . 2 1 1 A 95 95 ARG HA H 95 5.001 4.899 0.102 1
1 665 . 2 1 1 A 95 95 ARG CA C 95 53.055 53.251 -0.196 1
1 666 . 2 1 1 A 95 95 ARG N N 95 118.094 124.080 -5.986 1
1 670 . 2 1 1 A 96 96 PRO CA C 96 63.815 62.353 1.462 1
1 671 . 2 1 1 A 96 96 PRO CB C 96 33.778 32.835 0.943 1
1 673 . 2 1 1 A 97 97 LEU H H 97 7.862 8.559 -0.697 1
1 674 . 2 1 1 A 97 97 LEU HA H 97 4.054 4.914 -0.860 1
1 684 . 2 1 1 A 97 97 LEU CA C 97 55.208 53.332 1.876 1
1 685 . 2 1 1 A 97 97 LEU CB C 97 42.072 44.066 -1.994 1
1 1 . 3 1 1 A 36 36 ALA HA H 36 4.250 4.170 0.080 1
1 5 . 3 1 1 A 36 36 ALA CA C 36 55.550 55.073 0.477 1
1 6 . 3 1 1 A 36 36 ALA CB C 36 19.203 18.440 0.763 1
1 7 . 3 1 1 A 39 39 ILE HA H 39 4.250 3.681 0.569 1
1 17 . 3 1 1 A 39 39 ILE CA C 39 58.724 64.895 -6.171 1
1 18 . 3 1 1 A 39 39 ILE CB C 39 38.496 37.562 0.934 1
1 22 . 3 1 1 A 40 40 VAL HA H 40 3.198 3.837 -0.639 1
1 30 . 3 1 1 A 40 40 VAL CA C 40 67.086 65.444 1.642 1
1 31 . 3 1 1 A 40 40 VAL CB C 40 30.969 31.712 -0.743 1
1 34 . 3 1 1 A 42 42 ARG HA H 42 3.770 4.345 -0.575 1
1 35 . 3 1 1 A 42 42 ARG CA C 42 55.107 58.122 -3.015 1
1 36 . 3 1 1 A 43 43 VAL H H 43 7.364 7.939 -0.575 1
1 37 . 3 1 1 A 43 43 VAL HA H 43 3.506 3.843 -0.337 1
1 45 . 3 1 1 A 43 43 VAL C C 43 178.600 178.315 0.285 1
1 46 . 3 1 1 A 43 43 VAL CA C 43 66.598 65.602 0.996 1
1 47 . 3 1 1 A 43 43 VAL CB C 43 31.203 31.566 -0.363 1
1 50 . 3 1 1 A 43 43 VAL N N 43 119.765 118.801 0.964 1
1 51 . 3 1 1 A 44 44 ILE H H 44 7.829 8.241 -0.412 1
1 52 . 3 1 1 A 44 44 ILE HA H 44 3.242 3.655 -0.413 1
1 62 . 3 1 1 A 44 44 ILE C C 44 178.289 178.343 -0.054 1
1 63 . 3 1 1 A 44 44 ILE CA C 44 66.146 65.144 1.002 1
1 64 . 3 1 1 A 44 44 ILE CB C 44 36.869 37.668 -0.799 1
1 68 . 3 1 1 A 44 44 ILE N N 44 120.991 121.675 -0.684 1
1 69 . 3 1 1 A 45 45 TRP H H 45 9.154 8.311 0.843 1
1 70 . 3 1 1 A 45 45 TRP HA H 45 4.377 4.126 0.251 1
1 77 . 3 1 1 A 45 45 TRP C C 45 179.154 178.803 0.351 1
1 78 . 3 1 1 A 45 45 TRP CA C 45 60.749 60.826 -0.077 1
1 79 . 3 1 1 A 45 45 TRP CB C 45 28.620 29.597 -0.977 1
1 80 . 3 1 1 A 45 45 TRP N N 45 119.877 122.250 -2.373 1
1 82 . 3 1 1 A 46 46 SER H H 46 7.556 8.470 -0.914 1
1 83 . 3 1 1 A 46 46 SER HA H 46 4.247 4.326 -0.079 1
1 86 . 3 1 1 A 46 46 SER C C 46 175.737 177.425 -1.688 1
1 87 . 3 1 1 A 46 46 SER CA C 46 61.315 61.505 -0.190 1
1 88 . 3 1 1 A 46 46 SER CB C 46 63.510 62.753 0.757 1
1 89 . 3 1 1 A 46 46 SER N N 46 113.170 114.815 -1.645 1
1 90 . 3 1 1 A 47 47 LEU H H 47 7.667 7.680 -0.013 1
1 91 . 3 1 1 A 47 47 LEU HA H 47 4.274 3.991 0.283 1
1 101 . 3 1 1 A 47 47 LEU C C 47 178.987 176.627 2.360 1
1 102 . 3 1 1 A 47 47 LEU CA C 47 55.835 57.431 -1.596 1
1 103 . 3 1 1 A 47 47 LEU CB C 47 43.548 42.559 0.989 1
1 107 . 3 1 1 A 47 47 LEU N N 47 120.838 121.424 -0.586 1
1 108 . 3 1 1 A 48 48 GLY H H 48 8.656 7.395 1.261 1
1 109 . 3 1 1 A 48 48 GLY HA2 H 48 4.373 3.860 0.513 1
1 110 . 3 1 1 A 48 48 GLY HA3 H 48 3.296 3.947 -0.651 1
1 111 . 3 1 1 A 48 48 GLY C C 48 173.625 173.497 0.128 1
1 112 . 3 1 1 A 48 48 GLY CA C 48 46.944 45.354 1.590 1
1 113 . 3 1 1 A 48 48 GLY N N 48 113.217 105.623 7.594 1
1 114 . 3 1 1 A 49 49 GLU H H 49 7.347 7.960 -0.613 1
1 115 . 3 1 1 A 49 49 GLU HA H 49 4.830 4.976 -0.146 1
1 120 . 3 1 1 A 49 49 GLU C C 49 174.973 174.221 0.752 1
1 121 . 3 1 1 A 49 49 GLU CA C 49 55.026 55.082 -0.056 1
1 122 . 3 1 1 A 49 49 GLU CB C 49 31.947 33.414 -1.467 1
1 124 . 3 1 1 A 49 49 GLU N N 49 116.219 121.465 -5.246 1
1 125 . 3 1 1 A 50 50 ALA H H 50 8.598 8.367 0.231 1
1 126 . 3 1 1 A 50 50 ALA HA H 50 4.817 5.069 -0.252 1
1 130 . 3 1 1 A 50 50 ALA C C 50 176.042 176.523 -0.481 1
1 131 . 3 1 1 A 50 50 ALA CA C 50 52.189 51.203 0.986 1
1 132 . 3 1 1 A 50 50 ALA CB C 50 24.738 22.477 2.261 1
1 133 . 3 1 1 A 50 50 ALA N N 50 122.121 125.614 -3.493 1
1 134 . 3 1 1 A 51 51 ARG H H 51 8.935 8.745 0.190 1
1 135 . 3 1 1 A 51 51 ARG HA H 51 5.098 4.720 0.378 1
1 142 . 3 1 1 A 51 51 ARG C C 51 178.696 177.797 0.899 1
1 143 . 3 1 1 A 51 51 ARG CA C 51 54.995 56.181 -1.186 1
1 144 . 3 1 1 A 51 51 ARG CB C 51 32.605 31.088 1.517 1
1 147 . 3 1 1 A 51 51 ARG N N 51 121.019 122.558 -1.539 1
1 148 . 3 1 1 A 52 52 VAL H H 52 9.767 8.472 1.295 1
1 149 . 3 1 1 A 52 52 VAL HA H 52 3.494 3.890 -0.396 1
1 157 . 3 1 1 A 52 52 VAL C C 52 176.292 177.201 -0.909 1
1 158 . 3 1 1 A 52 52 VAL CA C 52 67.295 65.432 1.863 1
1 159 . 3 1 1 A 52 52 VAL CB C 52 31.427 31.840 -0.413 1
1 162 . 3 1 1 A 52 52 VAL N N 52 121.483 124.051 -2.568 1
1 163 . 3 1 1 A 53 53 ASP H H 53 8.640 9.055 -0.415 1
1 164 . 3 1 1 A 53 53 ASP HA H 53 4.199 4.503 -0.304 1
1 167 . 3 1 1 A 53 53 ASP C C 53 178.904 178.285 0.619 1
1 168 . 3 1 1 A 53 53 ASP CA C 53 56.797 56.255 0.542 1
1 169 . 3 1 1 A 53 53 ASP CB C 53 39.068 39.369 -0.301 1
1 170 . 3 1 1 A 53 53 ASP N N 53 116.987 119.906 -2.919 1
1 171 . 3 1 1 A 54 54 GLU H H 54 7.028 8.041 -1.013 1
1 172 . 3 1 1 A 54 54 GLU HA H 54 4.017 4.188 -0.171 1
1 176 . 3 1 1 A 54 54 GLU C C 54 178.696 178.976 -0.280 1
1 177 . 3 1 1 A 54 54 GLU CA C 54 58.261 58.958 -0.697 1
1 178 . 3 1 1 A 54 54 GLU CB C 54 30.742 30.127 0.615 1
1 180 . 3 1 1 A 54 54 GLU N N 54 119.862 120.106 -0.244 1
1 181 . 3 1 1 A 55 55 ILE H H 55 7.639 7.982 -0.343 1
1 182 . 3 1 1 A 55 55 ILE HA H 55 3.345 3.832 -0.487 1
1 192 . 3 1 1 A 55 55 ILE C C 55 177.945 177.670 0.275 1
1 193 . 3 1 1 A 55 55 ILE CA C 55 64.533 64.487 0.046 1
1 194 . 3 1 1 A 55 55 ILE CB C 55 38.824 37.659 1.165 1
1 198 . 3 1 1 A 55 55 ILE N N 55 118.743 117.978 0.765 1
1 199 . 3 1 1 A 56 56 TYR H H 56 8.548 8.140 0.408 1
1 200 . 3 1 1 A 56 56 TYR HA H 56 4.028 4.120 -0.092 1
1 207 . 3 1 1 A 56 56 TYR C C 56 177.279 178.164 -0.885 1
1 208 . 3 1 1 A 56 56 TYR CA C 56 61.046 62.327 -1.281 1
1 209 . 3 1 1 A 56 56 TYR CB C 56 38.746 38.818 -0.072 1
1 210 . 3 1 1 A 56 56 TYR N N 56 117.394 124.223 -6.829 1
1 211 . 3 1 1 A 57 57 ALA H H 57 7.305 8.252 -0.947 1
1 212 . 3 1 1 A 57 57 ALA HA H 57 3.891 3.959 -0.068 1
1 216 . 3 1 1 A 57 57 ALA C C 57 178.515 178.370 0.145 1
1 217 . 3 1 1 A 57 57 ALA CA C 57 53.867 54.085 -0.218 1
1 218 . 3 1 1 A 57 57 ALA CB C 57 18.567 18.289 0.278 1
1 219 . 3 1 1 A 57 57 ALA N N 57 116.845 121.273 -4.428 1
1 220 . 3 1 1 A 58 58 GLN H H 58 7.182 7.366 -0.184 1
1 221 . 3 1 1 A 58 58 GLN HA H 58 4.182 4.286 -0.104 1
1 228 . 3 1 1 A 58 58 GLN C C 58 176.015 174.653 1.362 1
1 229 . 3 1 1 A 58 58 GLN CA C 58 54.679 56.245 -1.566 1
1 230 . 3 1 1 A 58 58 GLN CB C 58 29.584 29.079 0.505 1
1 232 . 3 1 1 A 58 58 GLN N N 58 113.228 114.672 -1.444 1
1 234 . 3 1 1 A 59 59 ILE H H 59 7.051 7.395 -0.344 1
1 235 . 3 1 1 A 59 59 ILE HA H 59 3.829 4.148 -0.319 1
1 245 . 3 1 1 A 59 59 ILE CA C 59 57.557 57.734 -0.177 1
1 246 . 3 1 1 A 59 59 ILE CB C 59 36.090 38.455 -2.365 1
1 250 . 3 1 1 A 59 59 ILE N N 59 121.926 121.183 0.743 1
1 251 . 3 1 1 A 60 60 PRO HA H 60 4.049 4.651 -0.602 1
1 258 . 3 1 1 A 60 60 PRO CA C 60 63.775 61.752 2.023 1
1 259 . 3 1 1 A 60 60 PRO CB C 60 32.050 32.904 -0.854 1
1 262 . 3 1 1 A 61 61 GLN H H 61 8.772 8.918 -0.146 1
1 263 . 3 1 1 A 61 61 GLN HA H 61 3.772 3.899 -0.127 1
1 270 . 3 1 1 A 61 61 GLN C C 61 178.654 177.714 0.940 1
1 271 . 3 1 1 A 61 61 GLN CA C 61 58.761 59.206 -0.445 1
1 272 . 3 1 1 A 61 61 GLN CB C 61 28.318 28.607 -0.289 1
1 274 . 3 1 1 A 61 61 GLN N N 61 126.284 122.188 4.096 1
1 276 . 3 1 1 A 62 62 GLU H H 62 9.471 8.310 1.161 1
1 277 . 3 1 1 A 62 62 GLU HA H 62 3.971 4.032 -0.061 1
1 282 . 3 1 1 A 62 62 GLU C C 62 177.376 177.688 -0.312 1
1 283 . 3 1 1 A 62 62 GLU CA C 62 58.072 58.823 -0.751 1
1 284 . 3 1 1 A 62 62 GLU CB C 62 28.164 29.247 -1.083 1
1 286 . 3 1 1 A 62 62 GLU N N 62 118.102 119.275 -1.173 1
1 287 . 3 1 1 A 63 63 LEU H H 63 6.792 7.173 -0.381 1
1 288 . 3 1 1 A 63 63 LEU HA H 63 3.717 4.246 -0.529 1
1 298 . 3 1 1 A 63 63 LEU C C 63 176.570 176.242 0.328 1
1 299 . 3 1 1 A 63 63 LEU CA C 63 56.173 55.099 1.074 1
1 300 . 3 1 1 A 63 63 LEU CB C 63 39.610 42.151 -2.541 1
1 304 . 3 1 1 A 63 63 LEU N N 63 118.573 118.032 0.541 1
1 305 . 3 1 1 A 64 64 GLU H H 64 7.589 8.041 -0.452 1
1 306 . 3 1 1 A 64 64 GLU HA H 64 3.782 4.039 -0.257 1
1 311 . 3 1 1 A 64 64 GLU C C 64 176.723 175.970 0.753 1
1 312 . 3 1 1 A 64 64 GLU CA C 64 57.031 57.743 -0.712 1
1 313 . 3 1 1 A 64 64 GLU CB C 64 26.951 27.491 -0.540 1
1 315 . 3 1 1 A 64 64 GLU N N 64 112.960 116.156 -3.196 1
1 316 . 3 1 1 A 65 65 TRP H H 65 8.340 7.992 0.348 1
1 317 . 3 1 1 A 65 65 TRP HA H 65 5.097 4.742 0.355 1
1 323 . 3 1 1 A 65 65 TRP CA C 65 54.697 57.877 -3.180 1
1 324 . 3 1 1 A 65 65 TRP CB C 65 30.450 30.118 0.332 1
1 325 . 3 1 1 A 65 65 TRP N N 65 119.866 120.962 -1.096 1
1 327 . 3 1 1 A 66 66 SER HA H 66 4.700 4.975 -0.275 1
1 330 . 3 1 1 A 66 66 SER CA C 66 56.340 55.971 0.369 1
1 331 . 3 1 1 A 66 66 SER CB C 66 66.184 65.532 0.652 1
1 332 . 3 1 1 A 67 67 LEU H H 67 8.622 8.447 0.175 1
1 333 . 3 1 1 A 67 67 LEU HA H 67 3.357 3.656 -0.299 1
1 343 . 3 1 1 A 67 67 LEU C C 67 178.779 178.401 0.378 1
1 344 . 3 1 1 A 67 67 LEU CA C 67 58.385 58.133 0.252 1
1 345 . 3 1 1 A 67 67 LEU CB C 67 41.218 40.928 0.290 1
1 349 . 3 1 1 A 67 67 LEU N N 67 123.216 128.070 -4.854 1
1 350 . 3 1 1 A 68 68 ALA H H 68 7.987 7.701 0.286 1
1 351 . 3 1 1 A 68 68 ALA HA H 68 3.766 3.992 -0.226 1
1 355 . 3 1 1 A 68 68 ALA C C 68 180.626 180.108 0.518 1
1 356 . 3 1 1 A 68 68 ALA CA C 68 55.431 55.011 0.420 1
1 357 . 3 1 1 A 68 68 ALA CB C 68 17.780 17.910 -0.130 1
1 358 . 3 1 1 A 68 68 ALA N N 68 119.912 120.787 -0.875 1
1 359 . 3 1 1 A 69 69 THR H H 69 7.781 7.918 -0.137 1
1 360 . 3 1 1 A 69 69 THR HA H 69 3.477 3.707 -0.230 1
1 365 . 3 1 1 A 69 69 THR C C 69 176.154 175.883 0.271 1
1 366 . 3 1 1 A 69 69 THR CA C 69 66.975 67.118 -0.143 1
1 367 . 3 1 1 A 69 69 THR CB C 69 68.525 68.667 -0.142 1
1 369 . 3 1 1 A 69 69 THR N N 69 118.256 114.969 3.287 1
1 370 . 3 1 1 A 70 70 VAL H H 70 7.373 7.802 -0.429 1
1 371 . 3 1 1 A 70 70 VAL HA H 70 3.201 3.722 -0.521 1
1 379 . 3 1 1 A 70 70 VAL C C 70 177.265 177.876 -0.611 1
1 380 . 3 1 1 A 70 70 VAL CA C 70 67.795 65.312 2.483 1
1 381 . 3 1 1 A 70 70 VAL CB C 70 31.342 31.598 -0.256 1
1 384 . 3 1 1 A 70 70 VAL N N 70 120.502 120.439 0.063 1
1 385 . 3 1 1 A 71 71 LYS H H 71 8.521 7.399 1.122 1
1 386 . 3 1 1 A 71 71 LYS HA H 71 3.659 3.868 -0.209 1
1 395 . 3 1 1 A 71 71 LYS C C 71 180.154 179.444 0.710 1
1 396 . 3 1 1 A 71 71 LYS CA C 71 61.155 59.445 1.710 1
1 397 . 3 1 1 A 71 71 LYS CB C 71 32.114 32.294 -0.180 1
1 401 . 3 1 1 A 71 71 LYS N N 71 118.966 122.236 -3.270 1
1 402 . 3 1 1 A 72 72 THR H H 72 8.160 7.664 0.496 1
1 403 . 3 1 1 A 72 72 THR HA H 72 3.747 4.027 -0.280 1
1 408 . 3 1 1 A 72 72 THR C C 72 177.209 176.501 0.708 1
1 409 . 3 1 1 A 72 72 THR CA C 72 66.978 65.182 1.796 1
1 410 . 3 1 1 A 72 72 THR CB C 72 68.268 68.555 -0.287 1
1 412 . 3 1 1 A 72 72 THR N N 72 119.017 114.275 4.742 1
1 413 . 3 1 1 A 73 73 LEU H H 73 7.753 7.954 -0.201 1
1 414 . 3 1 1 A 73 73 LEU HA H 73 3.682 4.114 -0.432 1
1 424 . 3 1 1 A 73 73 LEU C C 73 178.821 178.591 0.230 1
1 425 . 3 1 1 A 73 73 LEU CA C 73 58.671 57.912 0.759 1
1 426 . 3 1 1 A 73 73 LEU CB C 73 42.182 41.540 0.642 1
1 430 . 3 1 1 A 73 73 LEU N N 73 123.340 122.594 0.746 1
1 431 . 3 1 1 A 74 74 LEU H H 74 8.341 8.558 -0.217 1
1 432 . 3 1 1 A 74 74 LEU HA H 74 3.551 3.907 -0.356 1
1 442 . 3 1 1 A 74 74 LEU C C 74 178.832 179.412 -0.580 1
1 443 . 3 1 1 A 74 74 LEU CA C 74 58.293 58.383 -0.090 1
1 444 . 3 1 1 A 74 74 LEU CB C 74 40.530 41.437 -0.907 1
1 448 . 3 1 1 A 74 74 LEU N N 74 118.538 119.200 -0.662 1
1 449 . 3 1 1 A 75 75 GLY H H 75 7.780 7.837 -0.057 1
1 450 . 3 1 1 A 75 75 GLY HA2 H 75 3.648 3.915 -0.267 1
1 451 . 3 1 1 A 75 75 GLY HA3 H 75 3.767 3.934 -0.167 1
1 452 . 3 1 1 A 75 75 GLY C C 75 177.626 176.517 1.109 1
1 453 . 3 1 1 A 75 75 GLY CA C 75 47.290 46.810 0.480 1
1 454 . 3 1 1 A 75 75 GLY N N 75 103.878 105.043 -1.165 1
1 455 . 3 1 1 A 76 76 ARG H H 76 7.637 8.189 -0.552 1
1 456 . 3 1 1 A 76 76 ARG HA H 76 3.908 4.054 -0.146 1
1 463 . 3 1 1 A 76 76 ARG C C 76 179.001 178.496 0.505 1
1 464 . 3 1 1 A 76 76 ARG CA C 76 59.378 59.127 0.251 1
1 465 . 3 1 1 A 76 76 ARG CB C 76 30.767 30.544 0.223 1
1 468 . 3 1 1 A 76 76 ARG N N 76 122.469 122.483 -0.014 1
1 469 . 3 1 1 A 77 77 LEU H H 77 7.922 8.153 -0.231 1
1 470 . 3 1 1 A 77 77 LEU HA H 77 3.812 4.126 -0.314 1
1 480 . 3 1 1 A 77 77 LEU C C 77 179.835 179.681 0.154 1
1 481 . 3 1 1 A 77 77 LEU CA C 77 58.306 58.143 0.163 1
1 482 . 3 1 1 A 77 77 LEU CB C 77 42.365 42.004 0.361 1
1 486 . 3 1 1 A 77 77 LEU N N 77 120.640 120.171 0.469 1
1 487 . 3 1 1 A 78 78 VAL H H 78 8.287 8.185 0.102 1
1 488 . 3 1 1 A 78 78 VAL HA H 78 3.950 4.111 -0.161 1
1 496 . 3 1 1 A 78 78 VAL C C 78 181.099 177.733 3.366 1
1 497 . 3 1 1 A 78 78 VAL CA C 78 66.044 65.437 0.607 1
1 498 . 3 1 1 A 78 78 VAL CB C 78 32.287 31.182 1.105 1
1 501 . 3 1 1 A 78 78 VAL N N 78 121.179 113.572 7.607 1
1 502 . 3 1 1 A 79 79 LYS H H 79 7.836 7.992 -0.156 1
1 503 . 3 1 1 A 79 79 LYS HA H 79 4.004 4.049 -0.045 1
1 512 . 3 1 1 A 79 79 LYS CA C 79 59.189 59.265 -0.076 1
1 513 . 3 1 1 A 79 79 LYS CB C 79 29.238 32.220 -2.982 1
1 517 . 3 1 1 A 79 79 LYS N N 79 123.239 121.152 2.087 1
1 518 . 3 1 1 A 80 80 LYS HA H 80 4.179 4.314 -0.135 1
1 521 . 3 1 1 A 80 80 LYS CA C 80 57.269 57.182 0.087 1
1 522 . 3 1 1 A 80 80 LYS CB C 80 31.067 32.847 -1.780 1
1 523 . 3 1 1 A 81 81 GLU H H 81 7.801 8.309 -0.508 1
1 524 . 3 1 1 A 81 81 GLU HA H 81 4.513 4.634 -0.121 1
1 527 . 3 1 1 A 81 81 GLU CA C 81 57.915 55.665 2.250 1
1 528 . 3 1 1 A 81 81 GLU CB C 81 26.150 31.999 -5.849 1
1 529 . 3 1 1 A 81 81 GLU N N 81 126.946 119.867 7.079 1
1 530 . 3 1 1 A 82 82 MET H H 82 7.978 8.160 -0.182 1
1 531 . 3 1 1 A 82 82 MET HA H 82 3.781 4.342 -0.561 1
1 536 . 3 1 1 A 82 82 MET C C 82 176.695 176.356 0.339 1
1 537 . 3 1 1 A 82 82 MET CA C 82 57.599 58.340 -0.741 1
1 538 . 3 1 1 A 82 82 MET CB C 82 33.067 33.879 -0.812 1
1 540 . 3 1 1 A 82 82 MET N N 82 112.370 118.799 -6.429 1
1 541 . 3 1 1 A 83 83 LEU H H 83 6.928 7.747 -0.819 1
1 542 . 3 1 1 A 83 83 LEU HA H 83 5.042 5.052 -0.010 1
1 548 . 3 1 1 A 83 83 LEU C C 83 175.376 175.613 -0.237 1
1 549 . 3 1 1 A 83 83 LEU CA C 83 52.193 53.138 -0.945 1
1 550 . 3 1 1 A 83 83 LEU CB C 83 48.040 45.962 2.078 1
1 553 . 3 1 1 A 83 83 LEU N N 83 116.646 118.226 -1.580 1
1 554 . 3 1 1 A 84 84 SER H H 84 9.089 8.770 0.319 1
1 555 . 3 1 1 A 84 84 SER HA H 84 4.711 5.371 -0.660 1
1 558 . 3 1 1 A 84 84 SER C C 84 173.496 173.192 0.304 1
1 559 . 3 1 1 A 84 84 SER CA C 84 56.311 57.491 -1.180 1
1 560 . 3 1 1 A 84 84 SER CB C 84 65.943 66.984 -1.041 1
1 561 . 3 1 1 A 84 84 SER N N 84 115.366 115.688 -0.322 1
1 562 . 3 1 1 A 85 85 THR H H 85 8.091 8.684 -0.593 1
1 563 . 3 1 1 A 85 85 THR HA H 85 5.036 5.092 -0.056 1
1 568 . 3 1 1 A 85 85 THR C C 85 173.844 172.163 1.681 1
1 569 . 3 1 1 A 85 85 THR CA C 85 58.919 60.078 -1.159 1
1 570 . 3 1 1 A 85 85 THR CB C 85 71.518 70.604 0.914 1
1 572 . 3 1 1 A 85 85 THR N N 85 110.842 115.566 -4.724 1
1 573 . 3 1 1 A 86 86 GLU H H 86 8.128 8.838 -0.710 1
1 574 . 3 1 1 A 86 86 GLU HA H 86 4.413 5.059 -0.646 1
1 578 . 3 1 1 A 86 86 GLU C C 86 174.693 174.449 0.244 1
1 579 . 3 1 1 A 86 86 GLU CA C 86 54.405 54.339 0.066 1
1 580 . 3 1 1 A 86 86 GLU CB C 86 33.099 33.783 -0.684 1
1 582 . 3 1 1 A 86 86 GLU N N 86 122.318 124.369 -2.051 1
1 583 . 3 1 1 A 87 87 LYS H H 87 8.622 8.735 -0.113 1
1 584 . 3 1 1 A 87 87 LYS HA H 87 4.153 4.835 -0.682 1
1 593 . 3 1 1 A 87 87 LYS C C 87 175.909 175.314 0.595 1
1 594 . 3 1 1 A 87 87 LYS CA C 87 56.403 54.571 1.832 1
1 595 . 3 1 1 A 87 87 LYS CB C 87 32.960 34.677 -1.717 1
1 599 . 3 1 1 A 87 87 LYS N N 87 124.854 122.211 2.643 1
1 600 . 3 1 1 A 88 88 GLU HA H 88 4.276 4.699 -0.423 1
1 604 . 3 1 1 A 88 88 GLU C C 88 175.998 177.498 -1.500 1
1 605 . 3 1 1 A 88 88 GLU CA C 88 55.362 54.933 0.429 1
1 606 . 3 1 1 A 88 88 GLU CB C 88 30.945 33.089 -2.144 1
1 608 . 3 1 1 A 91 91 LYS H H 91 7.651 7.368 0.283 1
1 609 . 3 1 1 A 91 91 LYS HA H 91 4.456 4.787 -0.331 1
1 616 . 3 1 1 A 91 91 LYS C C 91 174.960 175.140 -0.180 1
1 617 . 3 1 1 A 91 91 LYS CA C 91 54.992 54.159 0.833 1
1 618 . 3 1 1 A 91 91 LYS CB C 91 34.855 37.186 -2.331 1
1 622 . 3 1 1 A 91 91 LYS N N 91 119.096 117.572 1.524 1
1 623 . 3 1 1 A 92 92 PHE H H 92 7.904 8.965 -1.061 1
1 624 . 3 1 1 A 92 92 PHE HA H 92 4.772 5.068 -0.296 1
1 631 . 3 1 1 A 92 92 PHE C C 92 175.183 175.401 -0.218 1
1 632 . 3 1 1 A 92 92 PHE CA C 92 57.762 57.508 0.254 1
1 633 . 3 1 1 A 92 92 PHE CB C 92 40.747 41.197 -0.450 1
1 634 . 3 1 1 A 92 92 PHE N N 92 118.936 118.169 0.767 1
1 635 . 3 1 1 A 93 93 VAL H H 93 8.626 9.100 -0.474 1
1 636 . 3 1 1 A 93 93 VAL HA H 93 4.090 4.801 -0.711 1
1 644 . 3 1 1 A 93 93 VAL C C 93 174.856 174.305 0.551 1
1 645 . 3 1 1 A 93 93 VAL CA C 93 61.228 61.544 -0.316 1
1 646 . 3 1 1 A 93 93 VAL CB C 93 33.595 34.266 -0.671 1
1 648 . 3 1 1 A 93 93 VAL N N 93 120.649 120.489 0.160 1
1 649 . 3 1 1 A 94 94 TYR H H 94 8.950 9.293 -0.343 1
1 650 . 3 1 1 A 94 94 TYR HA H 94 5.029 5.305 -0.276 1
1 657 . 3 1 1 A 94 94 TYR C C 94 175.242 175.778 -0.536 1
1 658 . 3 1 1 A 94 94 TYR CA C 94 57.619 57.071 0.548 1
1 659 . 3 1 1 A 94 94 TYR CB C 94 41.447 39.855 1.592 1
1 660 . 3 1 1 A 94 94 TYR N N 94 125.589 126.451 -0.862 1
1 661 . 3 1 1 A 95 95 ARG H H 95 8.275 8.768 -0.493 1
1 662 . 3 1 1 A 95 95 ARG HA H 95 5.001 4.850 0.151 1
1 665 . 3 1 1 A 95 95 ARG CA C 95 53.055 53.450 -0.395 1
1 666 . 3 1 1 A 95 95 ARG N N 95 118.094 120.186 -2.092 1
1 670 . 3 1 1 A 96 96 PRO CA C 96 63.815 63.772 0.043 1
1 671 . 3 1 1 A 96 96 PRO CB C 96 33.778 32.123 1.655 1
1 673 . 3 1 1 A 97 97 LEU H H 97 7.862 8.063 -0.201 1
1 674 . 3 1 1 A 97 97 LEU HA H 97 4.054 3.852 0.202 1
1 684 . 3 1 1 A 97 97 LEU CA C 97 55.208 56.198 -0.990 1
1 685 . 3 1 1 A 97 97 LEU CB C 97 42.072 40.530 1.542 1
1 1 . 4 1 1 A 36 36 ALA HA H 36 4.250 4.375 -0.125 1
1 5 . 4 1 1 A 36 36 ALA CA C 36 55.550 55.811 -0.261 1
1 6 . 4 1 1 A 36 36 ALA CB C 36 19.203 18.272 0.931 1
1 7 . 4 1 1 A 39 39 ILE HA H 39 4.250 3.626 0.624 1
1 17 . 4 1 1 A 39 39 ILE CA C 39 58.724 64.808 -6.084 1
1 18 . 4 1 1 A 39 39 ILE CB C 39 38.496 37.733 0.763 1
1 22 . 4 1 1 A 40 40 VAL HA H 40 3.198 3.992 -0.794 1
1 30 . 4 1 1 A 40 40 VAL CA C 40 67.086 64.982 2.104 1
1 31 . 4 1 1 A 40 40 VAL CB C 40 30.969 31.321 -0.352 1
1 34 . 4 1 1 A 42 42 ARG HA H 42 3.770 4.556 -0.786 1
1 35 . 4 1 1 A 42 42 ARG CA C 42 55.107 57.075 -1.968 1
1 36 . 4 1 1 A 43 43 VAL H H 43 7.364 8.346 -0.982 1
1 37 . 4 1 1 A 43 43 VAL HA H 43 3.506 3.860 -0.354 1
1 45 . 4 1 1 A 43 43 VAL C C 43 178.600 178.462 0.138 1
1 46 . 4 1 1 A 43 43 VAL CA C 43 66.598 65.535 1.063 1
1 47 . 4 1 1 A 43 43 VAL CB C 43 31.203 31.557 -0.354 1
1 50 . 4 1 1 A 43 43 VAL N N 43 119.765 115.989 3.776 1
1 51 . 4 1 1 A 44 44 ILE H H 44 7.829 8.254 -0.425 1
1 52 . 4 1 1 A 44 44 ILE HA H 44 3.242 3.735 -0.493 1
1 62 . 4 1 1 A 44 44 ILE C C 44 178.289 178.595 -0.306 1
1 63 . 4 1 1 A 44 44 ILE CA C 44 66.146 64.904 1.242 1
1 64 . 4 1 1 A 44 44 ILE CB C 44 36.869 37.455 -0.586 1
1 68 . 4 1 1 A 44 44 ILE N N 44 120.991 121.766 -0.775 1
1 69 . 4 1 1 A 45 45 TRP H H 45 9.154 8.235 0.919 1
1 70 . 4 1 1 A 45 45 TRP HA H 45 4.377 4.188 0.189 1
1 77 . 4 1 1 A 45 45 TRP C C 45 179.154 178.653 0.501 1
1 78 . 4 1 1 A 45 45 TRP CA C 45 60.749 60.793 -0.044 1
1 79 . 4 1 1 A 45 45 TRP CB C 45 28.620 29.682 -1.062 1
1 80 . 4 1 1 A 45 45 TRP N N 45 119.877 122.585 -2.708 1
1 82 . 4 1 1 A 46 46 SER H H 46 7.556 7.862 -0.306 1
1 83 . 4 1 1 A 46 46 SER HA H 46 4.247 4.228 0.019 1
1 86 . 4 1 1 A 46 46 SER C C 46 175.737 177.560 -1.823 1
1 87 . 4 1 1 A 46 46 SER CA C 46 61.315 61.553 -0.238 1
1 88 . 4 1 1 A 46 46 SER CB C 46 63.510 63.062 0.448 1
1 89 . 4 1 1 A 46 46 SER N N 46 113.170 114.648 -1.478 1
1 90 . 4 1 1 A 47 47 LEU H H 47 7.667 7.222 0.445 1
1 91 . 4 1 1 A 47 47 LEU HA H 47 4.274 4.052 0.222 1
1 101 . 4 1 1 A 47 47 LEU C C 47 178.987 176.654 2.333 1
1 102 . 4 1 1 A 47 47 LEU CA C 47 55.835 56.713 -0.878 1
1 103 . 4 1 1 A 47 47 LEU CB C 47 43.548 42.684 0.864 1
1 107 . 4 1 1 A 47 47 LEU N N 47 120.838 120.712 0.126 1
1 108 . 4 1 1 A 48 48 GLY H H 48 8.656 8.222 0.434 1
1 109 . 4 1 1 A 48 48 GLY HA2 H 48 4.373 3.916 0.457 1
1 110 . 4 1 1 A 48 48 GLY HA3 H 48 3.296 3.931 -0.635 1
1 111 . 4 1 1 A 48 48 GLY C C 48 173.625 173.532 0.093 1
1 112 . 4 1 1 A 48 48 GLY CA C 48 46.944 45.140 1.804 1
1 113 . 4 1 1 A 48 48 GLY N N 48 113.217 106.455 6.762 1
1 114 . 4 1 1 A 49 49 GLU H H 49 7.347 7.727 -0.380 1
1 115 . 4 1 1 A 49 49 GLU HA H 49 4.830 4.989 -0.159 1
1 120 . 4 1 1 A 49 49 GLU C C 49 174.973 174.615 0.358 1
1 121 . 4 1 1 A 49 49 GLU CA C 49 55.026 54.799 0.227 1
1 122 . 4 1 1 A 49 49 GLU CB C 49 31.947 32.449 -0.502 1
1 124 . 4 1 1 A 49 49 GLU N N 49 116.219 116.501 -0.282 1
1 125 . 4 1 1 A 50 50 ALA H H 50 8.598 9.007 -0.409 1
1 126 . 4 1 1 A 50 50 ALA HA H 50 4.817 5.274 -0.457 1
1 130 . 4 1 1 A 50 50 ALA C C 50 176.042 176.903 -0.861 1
1 131 . 4 1 1 A 50 50 ALA CA C 50 52.189 50.262 1.927 1
1 132 . 4 1 1 A 50 50 ALA CB C 50 24.738 22.210 2.528 1
1 133 . 4 1 1 A 50 50 ALA N N 50 122.121 125.574 -3.453 1
1 134 . 4 1 1 A 51 51 ARG H H 51 8.935 8.909 0.026 1
1 135 . 4 1 1 A 51 51 ARG HA H 51 5.098 4.647 0.451 1
1 142 . 4 1 1 A 51 51 ARG C C 51 178.696 177.807 0.889 1
1 143 . 4 1 1 A 51 51 ARG CA C 51 54.995 56.300 -1.305 1
1 144 . 4 1 1 A 51 51 ARG CB C 51 32.605 30.946 1.659 1
1 147 . 4 1 1 A 51 51 ARG N N 51 121.019 122.150 -1.131 1
1 148 . 4 1 1 A 52 52 VAL H H 52 9.767 8.321 1.446 1
1 149 . 4 1 1 A 52 52 VAL HA H 52 3.494 4.021 -0.527 1
1 157 . 4 1 1 A 52 52 VAL C C 52 176.292 177.257 -0.965 1
1 158 . 4 1 1 A 52 52 VAL CA C 52 67.295 65.618 1.677 1
1 159 . 4 1 1 A 52 52 VAL CB C 52 31.427 31.926 -0.499 1
1 162 . 4 1 1 A 52 52 VAL N N 52 121.483 123.318 -1.835 1
1 163 . 4 1 1 A 53 53 ASP H H 53 8.640 8.304 0.336 1
1 164 . 4 1 1 A 53 53 ASP HA H 53 4.199 4.581 -0.382 1
1 167 . 4 1 1 A 53 53 ASP C C 53 178.904 178.293 0.611 1
1 168 . 4 1 1 A 53 53 ASP CA C 53 56.797 56.940 -0.143 1
1 169 . 4 1 1 A 53 53 ASP CB C 53 39.068 41.131 -2.063 1
1 170 . 4 1 1 A 53 53 ASP N N 53 116.987 121.466 -4.479 1
1 171 . 4 1 1 A 54 54 GLU H H 54 7.028 7.980 -0.952 1
1 172 . 4 1 1 A 54 54 GLU HA H 54 4.017 4.189 -0.172 1
1 176 . 4 1 1 A 54 54 GLU C C 54 178.696 178.829 -0.133 1
1 177 . 4 1 1 A 54 54 GLU CA C 54 58.261 58.815 -0.554 1
1 178 . 4 1 1 A 54 54 GLU CB C 54 30.742 29.587 1.155 1
1 180 . 4 1 1 A 54 54 GLU N N 54 119.862 119.119 0.743 1
1 181 . 4 1 1 A 55 55 ILE H H 55 7.639 8.021 -0.382 1
1 182 . 4 1 1 A 55 55 ILE HA H 55 3.345 3.881 -0.536 1
1 192 . 4 1 1 A 55 55 ILE C C 55 177.945 177.601 0.344 1
1 193 . 4 1 1 A 55 55 ILE CA C 55 64.533 64.457 0.076 1
1 194 . 4 1 1 A 55 55 ILE CB C 55 38.824 37.635 1.189 1
1 198 . 4 1 1 A 55 55 ILE N N 55 118.743 119.023 -0.280 1
1 199 . 4 1 1 A 56 56 TYR H H 56 8.548 8.061 0.487 1
1 200 . 4 1 1 A 56 56 TYR HA H 56 4.028 4.145 -0.117 1
1 207 . 4 1 1 A 56 56 TYR C C 56 177.279 178.244 -0.965 1
1 208 . 4 1 1 A 56 56 TYR CA C 56 61.046 62.051 -1.005 1
1 209 . 4 1 1 A 56 56 TYR CB C 56 38.746 38.443 0.303 1
1 210 . 4 1 1 A 56 56 TYR N N 56 117.394 124.259 -6.865 1
1 211 . 4 1 1 A 57 57 ALA H H 57 7.305 8.174 -0.869 1
1 212 . 4 1 1 A 57 57 ALA HA H 57 3.891 3.893 -0.002 1
1 216 . 4 1 1 A 57 57 ALA C C 57 178.515 178.664 -0.149 1
1 217 . 4 1 1 A 57 57 ALA CA C 57 53.867 54.593 -0.726 1
1 218 . 4 1 1 A 57 57 ALA CB C 57 18.567 18.092 0.475 1
1 219 . 4 1 1 A 57 57 ALA N N 57 116.845 121.305 -4.460 1
1 220 . 4 1 1 A 58 58 GLN H H 58 7.182 7.338 -0.156 1
1 221 . 4 1 1 A 58 58 GLN HA H 58 4.182 4.317 -0.135 1
1 228 . 4 1 1 A 58 58 GLN C C 58 176.015 174.509 1.506 1
1 229 . 4 1 1 A 58 58 GLN CA C 58 54.679 56.472 -1.793 1
1 230 . 4 1 1 A 58 58 GLN CB C 58 29.584 29.414 0.170 1
1 232 . 4 1 1 A 58 58 GLN N N 58 113.228 114.208 -0.980 1
1 234 . 4 1 1 A 59 59 ILE H H 59 7.051 7.532 -0.481 1
1 235 . 4 1 1 A 59 59 ILE HA H 59 3.829 4.325 -0.496 1
1 245 . 4 1 1 A 59 59 ILE CA C 59 57.557 57.963 -0.406 1
1 246 . 4 1 1 A 59 59 ILE CB C 59 36.090 38.981 -2.891 1
1 250 . 4 1 1 A 59 59 ILE N N 59 121.926 120.388 1.538 1
1 251 . 4 1 1 A 60 60 PRO HA H 60 4.049 4.719 -0.670 1
1 258 . 4 1 1 A 60 60 PRO CA C 60 63.775 62.317 1.458 1
1 259 . 4 1 1 A 60 60 PRO CB C 60 32.050 32.779 -0.729 1
1 262 . 4 1 1 A 61 61 GLN H H 61 8.772 8.513 0.259 1
1 263 . 4 1 1 A 61 61 GLN HA H 61 3.772 4.130 -0.358 1
1 270 . 4 1 1 A 61 61 GLN C C 61 178.654 177.256 1.398 1
1 271 . 4 1 1 A 61 61 GLN CA C 61 58.761 56.397 2.364 1
1 272 . 4 1 1 A 61 61 GLN CB C 61 28.318 27.587 0.731 1
1 274 . 4 1 1 A 61 61 GLN N N 61 126.284 120.765 5.519 1
1 276 . 4 1 1 A 62 62 GLU H H 62 9.471 8.117 1.354 1
1 277 . 4 1 1 A 62 62 GLU HA H 62 3.971 4.140 -0.169 1
1 282 . 4 1 1 A 62 62 GLU C C 62 177.376 177.753 -0.377 1
1 283 . 4 1 1 A 62 62 GLU CA C 62 58.072 58.632 -0.560 1
1 284 . 4 1 1 A 62 62 GLU CB C 62 28.164 29.498 -1.334 1
1 286 . 4 1 1 A 62 62 GLU N N 62 118.102 118.745 -0.643 1
1 287 . 4 1 1 A 63 63 LEU H H 63 6.792 7.478 -0.686 1
1 288 . 4 1 1 A 63 63 LEU HA H 63 3.717 4.102 -0.385 1
1 298 . 4 1 1 A 63 63 LEU C C 63 176.570 176.421 0.149 1
1 299 . 4 1 1 A 63 63 LEU CA C 63 56.173 56.279 -0.106 1
1 300 . 4 1 1 A 63 63 LEU CB C 63 39.610 42.620 -3.010 1
1 304 . 4 1 1 A 63 63 LEU N N 63 118.573 118.657 -0.084 1
1 305 . 4 1 1 A 64 64 GLU H H 64 7.589 7.894 -0.305 1
1 306 . 4 1 1 A 64 64 GLU HA H 64 3.782 4.509 -0.727 1
1 311 . 4 1 1 A 64 64 GLU C C 64 176.723 176.512 0.211 1
1 312 . 4 1 1 A 64 64 GLU CA C 64 57.031 56.977 0.054 1
1 313 . 4 1 1 A 64 64 GLU CB C 64 26.951 30.667 -3.716 1
1 315 . 4 1 1 A 64 64 GLU N N 64 112.960 113.955 -0.995 1
1 316 . 4 1 1 A 65 65 TRP H H 65 8.340 7.925 0.415 1
1 317 . 4 1 1 A 65 65 TRP HA H 65 5.097 4.754 0.343 1
1 323 . 4 1 1 A 65 65 TRP CA C 65 54.697 58.118 -3.421 1
1 324 . 4 1 1 A 65 65 TRP CB C 65 30.450 30.693 -0.243 1
1 325 . 4 1 1 A 65 65 TRP N N 65 119.866 122.624 -2.758 1
1 327 . 4 1 1 A 66 66 SER HA H 66 4.700 5.080 -0.380 1
1 330 . 4 1 1 A 66 66 SER CA C 66 56.340 55.813 0.527 1
1 331 . 4 1 1 A 66 66 SER CB C 66 66.184 65.971 0.213 1
1 332 . 4 1 1 A 67 67 LEU H H 67 8.622 8.701 -0.079 1
1 333 . 4 1 1 A 67 67 LEU HA H 67 3.357 3.521 -0.164 1
1 343 . 4 1 1 A 67 67 LEU C C 67 178.779 178.372 0.407 1
1 344 . 4 1 1 A 67 67 LEU CA C 67 58.385 58.039 0.346 1
1 345 . 4 1 1 A 67 67 LEU CB C 67 41.218 41.230 -0.012 1
1 349 . 4 1 1 A 67 67 LEU N N 67 123.216 126.965 -3.749 1
1 350 . 4 1 1 A 68 68 ALA H H 68 7.987 8.140 -0.153 1
1 351 . 4 1 1 A 68 68 ALA HA H 68 3.766 3.997 -0.231 1
1 355 . 4 1 1 A 68 68 ALA C C 68 180.626 180.089 0.537 1
1 356 . 4 1 1 A 68 68 ALA CA C 68 55.431 54.853 0.578 1
1 357 . 4 1 1 A 68 68 ALA CB C 68 17.780 18.072 -0.292 1
1 358 . 4 1 1 A 68 68 ALA N N 68 119.912 119.951 -0.039 1
1 359 . 4 1 1 A 69 69 THR H H 69 7.781 7.723 0.058 1
1 360 . 4 1 1 A 69 69 THR HA H 69 3.477 3.762 -0.285 1
1 365 . 4 1 1 A 69 69 THR C C 69 176.154 175.982 0.172 1
1 366 . 4 1 1 A 69 69 THR CA C 69 66.975 66.624 0.351 1
1 367 . 4 1 1 A 69 69 THR CB C 69 68.525 67.722 0.803 1
1 369 . 4 1 1 A 69 69 THR N N 69 118.256 114.922 3.334 1
1 370 . 4 1 1 A 70 70 VAL H H 70 7.373 7.619 -0.246 1
1 371 . 4 1 1 A 70 70 VAL HA H 70 3.201 3.684 -0.483 1
1 379 . 4 1 1 A 70 70 VAL C C 70 177.265 177.702 -0.437 1
1 380 . 4 1 1 A 70 70 VAL CA C 70 67.795 65.127 2.668 1
1 381 . 4 1 1 A 70 70 VAL CB C 70 31.342 31.359 -0.017 1
1 384 . 4 1 1 A 70 70 VAL N N 70 120.502 120.063 0.439 1
1 385 . 4 1 1 A 71 71 LYS H H 71 8.521 7.874 0.647 1
1 386 . 4 1 1 A 71 71 LYS HA H 71 3.659 3.861 -0.202 1
1 395 . 4 1 1 A 71 71 LYS C C 71 180.154 179.143 1.011 1
1 396 . 4 1 1 A 71 71 LYS CA C 71 61.155 59.557 1.598 1
1 397 . 4 1 1 A 71 71 LYS CB C 71 32.114 32.357 -0.243 1
1 401 . 4 1 1 A 71 71 LYS N N 71 118.966 122.179 -3.213 1
1 402 . 4 1 1 A 72 72 THR H H 72 8.160 7.747 0.413 1
1 403 . 4 1 1 A 72 72 THR HA H 72 3.747 3.987 -0.240 1
1 408 . 4 1 1 A 72 72 THR C C 72 177.209 176.546 0.663 1
1 409 . 4 1 1 A 72 72 THR CA C 72 66.978 65.319 1.659 1
1 410 . 4 1 1 A 72 72 THR CB C 72 68.268 68.447 -0.179 1
1 412 . 4 1 1 A 72 72 THR N N 72 119.017 113.916 5.101 1
1 413 . 4 1 1 A 73 73 LEU H H 73 7.753 8.182 -0.429 1
1 414 . 4 1 1 A 73 73 LEU HA H 73 3.682 4.045 -0.363 1
1 424 . 4 1 1 A 73 73 LEU C C 73 178.821 178.522 0.299 1
1 425 . 4 1 1 A 73 73 LEU CA C 73 58.671 57.904 0.767 1
1 426 . 4 1 1 A 73 73 LEU CB C 73 42.182 41.338 0.844 1
1 430 . 4 1 1 A 73 73 LEU N N 73 123.340 122.575 0.765 1
1 431 . 4 1 1 A 74 74 LEU H H 74 8.341 8.488 -0.147 1
1 432 . 4 1 1 A 74 74 LEU HA H 74 3.551 3.828 -0.277 1
1 442 . 4 1 1 A 74 74 LEU C C 74 178.832 179.299 -0.467 1
1 443 . 4 1 1 A 74 74 LEU CA C 74 58.293 58.332 -0.039 1
1 444 . 4 1 1 A 74 74 LEU CB C 74 40.530 40.876 -0.346 1
1 448 . 4 1 1 A 74 74 LEU N N 74 118.538 118.901 -0.363 1
1 449 . 4 1 1 A 75 75 GLY H H 75 7.780 8.052 -0.272 1
1 450 . 4 1 1 A 75 75 GLY HA2 H 75 3.648 3.863 -0.215 1
1 451 . 4 1 1 A 75 75 GLY HA3 H 75 3.767 3.889 -0.122 1
1 452 . 4 1 1 A 75 75 GLY C C 75 177.626 176.396 1.230 1
1 453 . 4 1 1 A 75 75 GLY CA C 75 47.290 46.958 0.332 1
1 454 . 4 1 1 A 75 75 GLY N N 75 103.878 104.925 -1.047 1
1 455 . 4 1 1 A 76 76 ARG H H 76 7.637 7.951 -0.314 1
1 456 . 4 1 1 A 76 76 ARG HA H 76 3.908 4.033 -0.125 1
1 463 . 4 1 1 A 76 76 ARG C C 76 179.001 178.860 0.141 1
1 464 . 4 1 1 A 76 76 ARG CA C 76 59.378 58.993 0.385 1
1 465 . 4 1 1 A 76 76 ARG CB C 76 30.767 30.426 0.341 1
1 468 . 4 1 1 A 76 76 ARG N N 76 122.469 122.418 0.051 1
1 469 . 4 1 1 A 77 77 LEU H H 77 7.922 8.078 -0.156 1
1 470 . 4 1 1 A 77 77 LEU HA H 77 3.812 4.083 -0.271 1
1 480 . 4 1 1 A 77 77 LEU C C 77 179.835 179.599 0.236 1
1 481 . 4 1 1 A 77 77 LEU CA C 77 58.306 58.079 0.227 1
1 482 . 4 1 1 A 77 77 LEU CB C 77 42.365 42.127 0.238 1
1 486 . 4 1 1 A 77 77 LEU N N 77 120.640 120.575 0.065 1
1 487 . 4 1 1 A 78 78 VAL H H 78 8.287 8.278 0.009 1
1 488 . 4 1 1 A 78 78 VAL HA H 78 3.950 3.941 0.009 1
1 496 . 4 1 1 A 78 78 VAL C C 78 181.099 177.406 3.693 1
1 497 . 4 1 1 A 78 78 VAL CA C 78 66.044 65.790 0.254 1
1 498 . 4 1 1 A 78 78 VAL CB C 78 32.287 31.281 1.006 1
1 501 . 4 1 1 A 78 78 VAL N N 78 121.179 114.264 6.915 1
1 502 . 4 1 1 A 79 79 LYS H H 79 7.836 7.867 -0.031 1
1 503 . 4 1 1 A 79 79 LYS HA H 79 4.004 4.241 -0.237 1
1 512 . 4 1 1 A 79 79 LYS CA C 79 59.189 58.105 1.084 1
1 513 . 4 1 1 A 79 79 LYS CB C 79 29.238 32.421 -3.183 1
1 517 . 4 1 1 A 79 79 LYS N N 79 123.239 120.695 2.544 1
1 518 . 4 1 1 A 80 80 LYS HA H 80 4.179 4.421 -0.242 1
1 521 . 4 1 1 A 80 80 LYS CA C 80 57.269 55.797 1.472 1
1 522 . 4 1 1 A 80 80 LYS CB C 80 31.067 32.169 -1.102 1
1 523 . 4 1 1 A 81 81 GLU H H 81 7.801 8.087 -0.286 1
1 524 . 4 1 1 A 81 81 GLU HA H 81 4.513 4.099 0.414 1
1 527 . 4 1 1 A 81 81 GLU CA C 81 57.915 57.335 0.580 1
1 528 . 4 1 1 A 81 81 GLU CB C 81 26.150 26.679 -0.529 1
1 529 . 4 1 1 A 81 81 GLU N N 81 126.946 115.305 11.641 1
1 530 . 4 1 1 A 82 82 MET H H 82 7.978 7.878 0.100 1
1 531 . 4 1 1 A 82 82 MET HA H 82 3.781 4.466 -0.685 1
1 536 . 4 1 1 A 82 82 MET C C 82 176.695 176.250 0.445 1
1 537 . 4 1 1 A 82 82 MET CA C 82 57.599 58.169 -0.570 1
1 538 . 4 1 1 A 82 82 MET CB C 82 33.067 34.356 -1.289 1
1 540 . 4 1 1 A 82 82 MET N N 82 112.370 117.564 -5.194 1
1 541 . 4 1 1 A 83 83 LEU H H 83 6.928 7.611 -0.683 1
1 542 . 4 1 1 A 83 83 LEU HA H 83 5.042 4.921 0.121 1
1 548 . 4 1 1 A 83 83 LEU C C 83 175.376 175.545 -0.169 1
1 549 . 4 1 1 A 83 83 LEU CA C 83 52.193 53.041 -0.848 1
1 550 . 4 1 1 A 83 83 LEU CB C 83 48.040 46.058 1.982 1
1 553 . 4 1 1 A 83 83 LEU N N 83 116.646 117.489 -0.843 1
1 554 . 4 1 1 A 84 84 SER H H 84 9.089 8.703 0.386 1
1 555 . 4 1 1 A 84 84 SER HA H 84 4.711 5.538 -0.827 1
1 558 . 4 1 1 A 84 84 SER C C 84 173.496 173.327 0.169 1
1 559 . 4 1 1 A 84 84 SER CA C 84 56.311 57.298 -0.987 1
1 560 . 4 1 1 A 84 84 SER CB C 84 65.943 66.952 -1.009 1
1 561 . 4 1 1 A 84 84 SER N N 84 115.366 116.161 -0.795 1
1 562 . 4 1 1 A 85 85 THR H H 85 8.091 8.752 -0.661 1
1 563 . 4 1 1 A 85 85 THR HA H 85 5.036 5.107 -0.071 1
1 568 . 4 1 1 A 85 85 THR C C 85 173.844 171.773 2.071 1
1 569 . 4 1 1 A 85 85 THR CA C 85 58.919 60.164 -1.245 1
1 570 . 4 1 1 A 85 85 THR CB C 85 71.518 71.019 0.499 1
1 572 . 4 1 1 A 85 85 THR N N 85 110.842 115.710 -4.868 1
1 573 . 4 1 1 A 86 86 GLU H H 86 8.128 8.862 -0.734 1
1 574 . 4 1 1 A 86 86 GLU HA H 86 4.413 4.934 -0.521 1
1 578 . 4 1 1 A 86 86 GLU C C 86 174.693 174.303 0.390 1
1 579 . 4 1 1 A 86 86 GLU CA C 86 54.405 54.476 -0.071 1
1 580 . 4 1 1 A 86 86 GLU CB C 86 33.099 33.871 -0.772 1
1 582 . 4 1 1 A 86 86 GLU N N 86 122.318 124.766 -2.448 1
1 583 . 4 1 1 A 87 87 LYS H H 87 8.622 8.542 0.080 1
1 584 . 4 1 1 A 87 87 LYS HA H 87 4.153 4.540 -0.387 1
1 593 . 4 1 1 A 87 87 LYS C C 87 175.909 174.877 1.032 1
1 594 . 4 1 1 A 87 87 LYS CA C 87 56.403 54.921 1.482 1
1 595 . 4 1 1 A 87 87 LYS CB C 87 32.960 34.114 -1.154 1
1 599 . 4 1 1 A 87 87 LYS N N 87 124.854 122.717 2.137 1
1 600 . 4 1 1 A 88 88 GLU HA H 88 4.276 4.766 -0.490 1
1 604 . 4 1 1 A 88 88 GLU C C 88 175.998 175.336 0.662 1
1 605 . 4 1 1 A 88 88 GLU CA C 88 55.362 54.794 0.568 1
1 606 . 4 1 1 A 88 88 GLU CB C 88 30.945 33.266 -2.321 1
1 608 . 4 1 1 A 91 91 LYS H H 91 7.651 7.575 0.076 1
1 609 . 4 1 1 A 91 91 LYS HA H 91 4.456 5.057 -0.601 1
1 616 . 4 1 1 A 91 91 LYS C C 91 174.960 174.913 0.047 1
1 617 . 4 1 1 A 91 91 LYS CA C 91 54.992 54.222 0.770 1
1 618 . 4 1 1 A 91 91 LYS CB C 91 34.855 36.851 -1.996 1
1 622 . 4 1 1 A 91 91 LYS N N 91 119.096 118.045 1.051 1
1 623 . 4 1 1 A 92 92 PHE H H 92 7.904 8.497 -0.593 1
1 624 . 4 1 1 A 92 92 PHE HA H 92 4.772 5.346 -0.574 1
1 631 . 4 1 1 A 92 92 PHE C C 92 175.183 174.908 0.275 1
1 632 . 4 1 1 A 92 92 PHE CA C 92 57.762 56.353 1.409 1
1 633 . 4 1 1 A 92 92 PHE CB C 92 40.747 43.581 -2.834 1
1 634 . 4 1 1 A 92 92 PHE N N 92 118.936 118.410 0.526 1
1 635 . 4 1 1 A 93 93 VAL H H 93 8.626 8.785 -0.159 1
1 636 . 4 1 1 A 93 93 VAL HA H 93 4.090 4.784 -0.694 1
1 644 . 4 1 1 A 93 93 VAL C C 93 174.856 174.426 0.430 1
1 645 . 4 1 1 A 93 93 VAL CA C 93 61.228 61.508 -0.280 1
1 646 . 4 1 1 A 93 93 VAL CB C 93 33.595 34.201 -0.606 1
1 648 . 4 1 1 A 93 93 VAL N N 93 120.649 119.628 1.021 1
1 649 . 4 1 1 A 94 94 TYR H H 94 8.950 9.250 -0.300 1
1 650 . 4 1 1 A 94 94 TYR HA H 94 5.029 5.181 -0.152 1
1 657 . 4 1 1 A 94 94 TYR C C 94 175.242 175.838 -0.596 1
1 658 . 4 1 1 A 94 94 TYR CA C 94 57.619 57.128 0.491 1
1 659 . 4 1 1 A 94 94 TYR CB C 94 41.447 39.394 2.053 1
1 660 . 4 1 1 A 94 94 TYR N N 94 125.589 126.644 -1.055 1
1 661 . 4 1 1 A 95 95 ARG H H 95 8.275 8.848 -0.573 1
1 662 . 4 1 1 A 95 95 ARG HA H 95 5.001 5.128 -0.127 1
1 665 . 4 1 1 A 95 95 ARG CA C 95 53.055 53.606 -0.551 1
1 666 . 4 1 1 A 95 95 ARG N N 95 118.094 121.815 -3.721 1
1 670 . 4 1 1 A 96 96 PRO CA C 96 63.815 62.312 1.503 1
1 671 . 4 1 1 A 96 96 PRO CB C 96 33.778 32.841 0.937 1
1 673 . 4 1 1 A 97 97 LEU H H 97 7.862 8.519 -0.657 1
1 674 . 4 1 1 A 97 97 LEU HA H 97 4.054 4.669 -0.615 1
1 684 . 4 1 1 A 97 97 LEU CA C 97 55.208 53.867 1.341 1
1 685 . 4 1 1 A 97 97 LEU CB C 97 42.072 42.331 -0.259 1
1 1 . 5 1 1 A 36 36 ALA HA H 36 4.250 4.349 -0.099 1
1 5 . 5 1 1 A 36 36 ALA CA C 36 55.550 54.409 1.141 1
1 6 . 5 1 1 A 36 36 ALA CB C 36 19.203 19.726 -0.523 1
1 7 . 5 1 1 A 39 39 ILE HA H 39 4.250 3.825 0.425 1
1 17 . 5 1 1 A 39 39 ILE CA C 39 58.724 64.392 -5.668 1
1 18 . 5 1 1 A 39 39 ILE CB C 39 38.496 37.294 1.202 1
1 22 . 5 1 1 A 40 40 VAL HA H 40 3.198 3.937 -0.739 1
1 30 . 5 1 1 A 40 40 VAL CA C 40 67.086 65.005 2.081 1
1 31 . 5 1 1 A 40 40 VAL CB C 40 30.969 31.470 -0.501 1
1 34 . 5 1 1 A 42 42 ARG HA H 42 3.770 4.759 -0.989 1
1 35 . 5 1 1 A 42 42 ARG CA C 42 55.107 57.456 -2.349 1
1 36 . 5 1 1 A 43 43 VAL H H 43 7.364 8.154 -0.790 1
1 37 . 5 1 1 A 43 43 VAL HA H 43 3.506 3.741 -0.235 1
1 45 . 5 1 1 A 43 43 VAL C C 43 178.600 177.523 1.077 1
1 46 . 5 1 1 A 43 43 VAL CA C 43 66.598 65.942 0.656 1
1 47 . 5 1 1 A 43 43 VAL CB C 43 31.203 31.849 -0.646 1
1 50 . 5 1 1 A 43 43 VAL N N 43 119.765 118.919 0.846 1
1 51 . 5 1 1 A 44 44 ILE H H 44 7.829 8.159 -0.330 1
1 52 . 5 1 1 A 44 44 ILE HA H 44 3.242 3.685 -0.443 1
1 62 . 5 1 1 A 44 44 ILE C C 44 178.289 178.512 -0.223 1
1 63 . 5 1 1 A 44 44 ILE CA C 44 66.146 65.137 1.009 1
1 64 . 5 1 1 A 44 44 ILE CB C 44 36.869 37.812 -0.943 1
1 68 . 5 1 1 A 44 44 ILE N N 44 120.991 120.902 0.089 1
1 69 . 5 1 1 A 45 45 TRP H H 45 9.154 8.317 0.837 1
1 70 . 5 1 1 A 45 45 TRP HA H 45 4.377 4.180 0.197 1
1 77 . 5 1 1 A 45 45 TRP C C 45 179.154 178.907 0.247 1
1 78 . 5 1 1 A 45 45 TRP CA C 45 60.749 60.740 0.009 1
1 79 . 5 1 1 A 45 45 TRP CB C 45 28.620 29.580 -0.960 1
1 80 . 5 1 1 A 45 45 TRP N N 45 119.877 122.174 -2.297 1
1 82 . 5 1 1 A 46 46 SER H H 46 7.556 7.724 -0.168 1
1 83 . 5 1 1 A 46 46 SER HA H 46 4.247 4.046 0.201 1
1 86 . 5 1 1 A 46 46 SER C C 46 175.737 177.127 -1.390 1
1 87 . 5 1 1 A 46 46 SER CA C 46 61.315 61.095 0.220 1
1 88 . 5 1 1 A 46 46 SER CB C 46 63.510 62.786 0.724 1
1 89 . 5 1 1 A 46 46 SER N N 46 113.170 114.593 -1.423 1
1 90 . 5 1 1 A 47 47 LEU H H 47 7.667 7.869 -0.202 1
1 91 . 5 1 1 A 47 47 LEU HA H 47 4.274 4.047 0.227 1
1 101 . 5 1 1 A 47 47 LEU C C 47 178.987 176.871 2.116 1
1 102 . 5 1 1 A 47 47 LEU CA C 47 55.835 57.306 -1.471 1
1 103 . 5 1 1 A 47 47 LEU CB C 47 43.548 42.992 0.556 1
1 107 . 5 1 1 A 47 47 LEU N N 47 120.838 121.993 -1.155 1
1 108 . 5 1 1 A 48 48 GLY H H 48 8.656 8.114 0.542 1
1 109 . 5 1 1 A 48 48 GLY HA2 H 48 4.373 3.934 0.439 1
1 110 . 5 1 1 A 48 48 GLY HA3 H 48 3.296 3.983 -0.687 1
1 111 . 5 1 1 A 48 48 GLY C C 48 173.625 173.317 0.308 1
1 112 . 5 1 1 A 48 48 GLY CA C 48 46.944 45.573 1.371 1
1 113 . 5 1 1 A 48 48 GLY N N 48 113.217 106.732 6.485 1
1 114 . 5 1 1 A 49 49 GLU H H 49 7.347 7.968 -0.621 1
1 115 . 5 1 1 A 49 49 GLU HA H 49 4.830 5.033 -0.203 1
1 120 . 5 1 1 A 49 49 GLU C C 49 174.973 174.138 0.835 1
1 121 . 5 1 1 A 49 49 GLU CA C 49 55.026 54.719 0.307 1
1 122 . 5 1 1 A 49 49 GLU CB C 49 31.947 33.018 -1.071 1
1 124 . 5 1 1 A 49 49 GLU N N 49 116.219 116.562 -0.343 1
1 125 . 5 1 1 A 50 50 ALA H H 50 8.598 8.334 0.264 1
1 126 . 5 1 1 A 50 50 ALA HA H 50 4.817 5.120 -0.303 1
1 130 . 5 1 1 A 50 50 ALA C C 50 176.042 176.257 -0.215 1
1 131 . 5 1 1 A 50 50 ALA CA C 50 52.189 50.853 1.336 1
1 132 . 5 1 1 A 50 50 ALA CB C 50 24.738 23.099 1.639 1
1 133 . 5 1 1 A 50 50 ALA N N 50 122.121 121.928 0.193 1
1 134 . 5 1 1 A 51 51 ARG H H 51 8.935 8.900 0.035 1
1 135 . 5 1 1 A 51 51 ARG HA H 51 5.098 4.797 0.301 1
1 142 . 5 1 1 A 51 51 ARG C C 51 178.696 177.980 0.716 1
1 143 . 5 1 1 A 51 51 ARG CA C 51 54.995 55.527 -0.532 1
1 144 . 5 1 1 A 51 51 ARG CB C 51 32.605 31.150 1.455 1
1 147 . 5 1 1 A 51 51 ARG N N 51 121.019 120.582 0.437 1
1 148 . 5 1 1 A 52 52 VAL H H 52 9.767 8.477 1.290 1
1 149 . 5 1 1 A 52 52 VAL HA H 52 3.494 4.016 -0.522 1
1 157 . 5 1 1 A 52 52 VAL C C 52 176.292 176.939 -0.647 1
1 158 . 5 1 1 A 52 52 VAL CA C 52 67.295 65.146 2.149 1
1 159 . 5 1 1 A 52 52 VAL CB C 52 31.427 31.961 -0.534 1
1 162 . 5 1 1 A 52 52 VAL N N 52 121.483 123.953 -2.470 1
1 163 . 5 1 1 A 53 53 ASP H H 53 8.640 8.277 0.363 1
1 164 . 5 1 1 A 53 53 ASP HA H 53 4.199 4.458 -0.259 1
1 167 . 5 1 1 A 53 53 ASP C C 53 178.904 178.393 0.511 1
1 168 . 5 1 1 A 53 53 ASP CA C 53 56.797 56.843 -0.046 1
1 169 . 5 1 1 A 53 53 ASP CB C 53 39.068 41.029 -1.961 1
1 170 . 5 1 1 A 53 53 ASP N N 53 116.987 121.258 -4.271 1
1 171 . 5 1 1 A 54 54 GLU H H 54 7.028 7.937 -0.909 1
1 172 . 5 1 1 A 54 54 GLU HA H 54 4.017 4.167 -0.150 1
1 176 . 5 1 1 A 54 54 GLU C C 54 178.696 179.062 -0.366 1
1 177 . 5 1 1 A 54 54 GLU CA C 54 58.261 58.870 -0.609 1
1 178 . 5 1 1 A 54 54 GLU CB C 54 30.742 29.673 1.069 1
1 180 . 5 1 1 A 54 54 GLU N N 54 119.862 118.699 1.163 1
1 181 . 5 1 1 A 55 55 ILE H H 55 7.639 8.037 -0.398 1
1 182 . 5 1 1 A 55 55 ILE HA H 55 3.345 3.858 -0.513 1
1 192 . 5 1 1 A 55 55 ILE C C 55 177.945 177.642 0.303 1
1 193 . 5 1 1 A 55 55 ILE CA C 55 64.533 64.547 -0.014 1
1 194 . 5 1 1 A 55 55 ILE CB C 55 38.824 37.736 1.088 1
1 198 . 5 1 1 A 55 55 ILE N N 55 118.743 119.706 -0.963 1
1 199 . 5 1 1 A 56 56 TYR H H 56 8.548 7.984 0.564 1
1 200 . 5 1 1 A 56 56 TYR HA H 56 4.028 4.114 -0.086 1
1 207 . 5 1 1 A 56 56 TYR C C 56 177.279 178.286 -1.007 1
1 208 . 5 1 1 A 56 56 TYR CA C 56 61.046 62.145 -1.099 1
1 209 . 5 1 1 A 56 56 TYR CB C 56 38.746 38.600 0.146 1
1 210 . 5 1 1 A 56 56 TYR N N 56 117.394 124.205 -6.811 1
1 211 . 5 1 1 A 57 57 ALA H H 57 7.305 8.232 -0.927 1
1 212 . 5 1 1 A 57 57 ALA HA H 57 3.891 4.096 -0.205 1
1 216 . 5 1 1 A 57 57 ALA C C 57 178.515 178.892 -0.377 1
1 217 . 5 1 1 A 57 57 ALA CA C 57 53.867 54.757 -0.890 1
1 218 . 5 1 1 A 57 57 ALA CB C 57 18.567 18.167 0.400 1
1 219 . 5 1 1 A 57 57 ALA N N 57 116.845 121.628 -4.783 1
1 220 . 5 1 1 A 58 58 GLN H H 58 7.182 7.276 -0.094 1
1 221 . 5 1 1 A 58 58 GLN HA H 58 4.182 4.310 -0.128 1
1 228 . 5 1 1 A 58 58 GLN C C 58 176.015 176.150 -0.135 1
1 229 . 5 1 1 A 58 58 GLN CA C 58 54.679 56.884 -2.205 1
1 230 . 5 1 1 A 58 58 GLN CB C 58 29.584 29.099 0.485 1
1 232 . 5 1 1 A 58 58 GLN N N 58 113.228 114.818 -1.590 1
1 234 . 5 1 1 A 59 59 ILE H H 59 7.051 7.165 -0.114 1
1 235 . 5 1 1 A 59 59 ILE HA H 59 3.829 4.071 -0.242 1
1 245 . 5 1 1 A 59 59 ILE CA C 59 57.557 58.514 -0.957 1
1 246 . 5 1 1 A 59 59 ILE CB C 59 36.090 37.870 -1.780 1
1 250 . 5 1 1 A 59 59 ILE N N 59 121.926 122.182 -0.256 1
1 251 . 5 1 1 A 60 60 PRO HA H 60 4.049 4.564 -0.515 1
1 258 . 5 1 1 A 60 60 PRO CA C 60 63.775 62.452 1.323 1
1 259 . 5 1 1 A 60 60 PRO CB C 60 32.050 32.656 -0.606 1
1 262 . 5 1 1 A 61 61 GLN H H 61 8.772 8.909 -0.137 1
1 263 . 5 1 1 A 61 61 GLN HA H 61 3.772 3.921 -0.149 1
1 270 . 5 1 1 A 61 61 GLN C C 61 178.654 177.582 1.072 1
1 271 . 5 1 1 A 61 61 GLN CA C 61 58.761 58.547 0.214 1
1 272 . 5 1 1 A 61 61 GLN CB C 61 28.318 28.544 -0.226 1
1 274 . 5 1 1 A 61 61 GLN N N 61 126.284 123.318 2.966 1
1 276 . 5 1 1 A 62 62 GLU H H 62 9.471 8.220 1.251 1
1 277 . 5 1 1 A 62 62 GLU HA H 62 3.971 4.016 -0.045 1
1 282 . 5 1 1 A 62 62 GLU C C 62 177.376 178.041 -0.665 1
1 283 . 5 1 1 A 62 62 GLU CA C 62 58.072 59.039 -0.967 1
1 284 . 5 1 1 A 62 62 GLU CB C 62 28.164 29.334 -1.170 1
1 286 . 5 1 1 A 62 62 GLU N N 62 118.102 118.642 -0.540 1
1 287 . 5 1 1 A 63 63 LEU H H 63 6.792 7.265 -0.473 1
1 288 . 5 1 1 A 63 63 LEU HA H 63 3.717 4.183 -0.466 1
1 298 . 5 1 1 A 63 63 LEU C C 63 176.570 176.689 -0.119 1
1 299 . 5 1 1 A 63 63 LEU CA C 63 56.173 55.068 1.105 1
1 300 . 5 1 1 A 63 63 LEU CB C 63 39.610 42.317 -2.707 1
1 304 . 5 1 1 A 63 63 LEU N N 63 118.573 118.139 0.434 1
1 305 . 5 1 1 A 64 64 GLU H H 64 7.589 7.674 -0.085 1
1 306 . 5 1 1 A 64 64 GLU HA H 64 3.782 4.028 -0.246 1
1 311 . 5 1 1 A 64 64 GLU C C 64 176.723 175.908 0.815 1
1 312 . 5 1 1 A 64 64 GLU CA C 64 57.031 58.384 -1.353 1
1 313 . 5 1 1 A 64 64 GLU CB C 64 26.951 27.760 -0.809 1
1 315 . 5 1 1 A 64 64 GLU N N 64 112.960 115.632 -2.672 1
1 316 . 5 1 1 A 65 65 TRP H H 65 8.340 7.978 0.362 1
1 317 . 5 1 1 A 65 65 TRP HA H 65 5.097 4.676 0.421 1
1 323 . 5 1 1 A 65 65 TRP CA C 65 54.697 58.331 -3.634 1
1 324 . 5 1 1 A 65 65 TRP CB C 65 30.450 29.891 0.559 1
1 325 . 5 1 1 A 65 65 TRP N N 65 119.866 121.657 -1.791 1
1 327 . 5 1 1 A 66 66 SER HA H 66 4.700 4.946 -0.246 1
1 330 . 5 1 1 A 66 66 SER CA C 66 56.340 57.630 -1.290 1
1 331 . 5 1 1 A 66 66 SER CB C 66 66.184 65.364 0.820 1
1 332 . 5 1 1 A 67 67 LEU H H 67 8.622 8.723 -0.101 1
1 333 . 5 1 1 A 67 67 LEU HA H 67 3.357 3.532 -0.175 1
1 343 . 5 1 1 A 67 67 LEU C C 67 178.779 178.513 0.266 1
1 344 . 5 1 1 A 67 67 LEU CA C 67 58.385 57.846 0.539 1
1 345 . 5 1 1 A 67 67 LEU CB C 67 41.218 41.182 0.036 1
1 349 . 5 1 1 A 67 67 LEU N N 67 123.216 122.865 0.351 1
1 350 . 5 1 1 A 68 68 ALA H H 68 7.987 8.019 -0.032 1
1 351 . 5 1 1 A 68 68 ALA HA H 68 3.766 4.015 -0.249 1
1 355 . 5 1 1 A 68 68 ALA C C 68 180.626 179.544 1.082 1
1 356 . 5 1 1 A 68 68 ALA CA C 68 55.431 55.049 0.382 1
1 357 . 5 1 1 A 68 68 ALA CB C 68 17.780 18.391 -0.611 1
1 358 . 5 1 1 A 68 68 ALA N N 68 119.912 121.952 -2.040 1
1 359 . 5 1 1 A 69 69 THR H H 69 7.781 7.992 -0.211 1
1 360 . 5 1 1 A 69 69 THR HA H 69 3.477 3.811 -0.334 1
1 365 . 5 1 1 A 69 69 THR C C 69 176.154 175.980 0.174 1
1 366 . 5 1 1 A 69 69 THR CA C 69 66.975 66.807 0.168 1
1 367 . 5 1 1 A 69 69 THR CB C 69 68.525 68.189 0.336 1
1 369 . 5 1 1 A 69 69 THR N N 69 118.256 114.764 3.492 1
1 370 . 5 1 1 A 70 70 VAL H H 70 7.373 8.423 -1.050 1
1 371 . 5 1 1 A 70 70 VAL HA H 70 3.201 3.758 -0.557 1
1 379 . 5 1 1 A 70 70 VAL C C 70 177.265 177.828 -0.563 1
1 380 . 5 1 1 A 70 70 VAL CA C 70 67.795 65.482 2.313 1
1 381 . 5 1 1 A 70 70 VAL CB C 70 31.342 31.252 0.090 1
1 384 . 5 1 1 A 70 70 VAL N N 70 120.502 120.279 0.223 1
1 385 . 5 1 1 A 71 71 LYS H H 71 8.521 7.775 0.746 1
1 386 . 5 1 1 A 71 71 LYS HA H 71 3.659 3.921 -0.262 1
1 395 . 5 1 1 A 71 71 LYS C C 71 180.154 179.417 0.737 1
1 396 . 5 1 1 A 71 71 LYS CA C 71 61.155 59.440 1.715 1
1 397 . 5 1 1 A 71 71 LYS CB C 71 32.114 32.235 -0.121 1
1 401 . 5 1 1 A 71 71 LYS N N 71 118.966 122.115 -3.149 1
1 402 . 5 1 1 A 72 72 THR H H 72 8.160 7.765 0.395 1
1 403 . 5 1 1 A 72 72 THR HA H 72 3.747 3.990 -0.243 1
1 408 . 5 1 1 A 72 72 THR C C 72 177.209 176.794 0.415 1
1 409 . 5 1 1 A 72 72 THR CA C 72 66.978 65.281 1.697 1
1 410 . 5 1 1 A 72 72 THR CB C 72 68.268 68.634 -0.366 1
1 412 . 5 1 1 A 72 72 THR N N 72 119.017 114.318 4.699 1
1 413 . 5 1 1 A 73 73 LEU H H 73 7.753 7.785 -0.032 1
1 414 . 5 1 1 A 73 73 LEU HA H 73 3.682 4.156 -0.474 1
1 424 . 5 1 1 A 73 73 LEU C C 73 178.821 178.642 0.179 1
1 425 . 5 1 1 A 73 73 LEU CA C 73 58.671 57.715 0.956 1
1 426 . 5 1 1 A 73 73 LEU CB C 73 42.182 42.024 0.158 1
1 430 . 5 1 1 A 73 73 LEU N N 73 123.340 122.391 0.949 1
1 431 . 5 1 1 A 74 74 LEU H H 74 8.341 8.654 -0.313 1
1 432 . 5 1 1 A 74 74 LEU HA H 74 3.551 3.896 -0.345 1
1 442 . 5 1 1 A 74 74 LEU C C 74 178.832 179.367 -0.535 1
1 443 . 5 1 1 A 74 74 LEU CA C 74 58.293 58.390 -0.097 1
1 444 . 5 1 1 A 74 74 LEU CB C 74 40.530 41.435 -0.905 1
1 448 . 5 1 1 A 74 74 LEU N N 74 118.538 118.971 -0.433 1
1 449 . 5 1 1 A 75 75 GLY H H 75 7.780 7.903 -0.123 1
1 450 . 5 1 1 A 75 75 GLY HA2 H 75 3.648 3.885 -0.237 1
1 451 . 5 1 1 A 75 75 GLY HA3 H 75 3.767 3.916 -0.149 1
1 452 . 5 1 1 A 75 75 GLY C C 75 177.626 176.611 1.015 1
1 453 . 5 1 1 A 75 75 GLY CA C 75 47.290 46.961 0.329 1
1 454 . 5 1 1 A 75 75 GLY N N 75 103.878 105.013 -1.135 1
1 455 . 5 1 1 A 76 76 ARG H H 76 7.637 8.198 -0.561 1
1 456 . 5 1 1 A 76 76 ARG HA H 76 3.908 4.068 -0.160 1
1 463 . 5 1 1 A 76 76 ARG C C 76 179.001 178.645 0.356 1
1 464 . 5 1 1 A 76 76 ARG CA C 76 59.378 59.042 0.336 1
1 465 . 5 1 1 A 76 76 ARG CB C 76 30.767 30.330 0.437 1
1 468 . 5 1 1 A 76 76 ARG N N 76 122.469 122.465 0.004 1
1 469 . 5 1 1 A 77 77 LEU H H 77 7.922 8.095 -0.173 1
1 470 . 5 1 1 A 77 77 LEU HA H 77 3.812 4.177 -0.365 1
1 480 . 5 1 1 A 77 77 LEU C C 77 179.835 179.572 0.263 1
1 481 . 5 1 1 A 77 77 LEU CA C 77 58.306 58.191 0.115 1
1 482 . 5 1 1 A 77 77 LEU CB C 77 42.365 41.990 0.375 1
1 486 . 5 1 1 A 77 77 LEU N N 77 120.640 120.476 0.164 1
1 487 . 5 1 1 A 78 78 VAL H H 78 8.287 8.348 -0.061 1
1 488 . 5 1 1 A 78 78 VAL HA H 78 3.950 4.069 -0.119 1
1 496 . 5 1 1 A 78 78 VAL C C 78 181.099 178.021 3.078 1
1 497 . 5 1 1 A 78 78 VAL CA C 78 66.044 65.745 0.299 1
1 498 . 5 1 1 A 78 78 VAL CB C 78 32.287 31.428 0.859 1
1 501 . 5 1 1 A 78 78 VAL N N 78 121.179 113.905 7.274 1
1 502 . 5 1 1 A 79 79 LYS H H 79 7.836 7.525 0.311 1
1 503 . 5 1 1 A 79 79 LYS HA H 79 4.004 4.187 -0.183 1
1 512 . 5 1 1 A 79 79 LYS CA C 79 59.189 58.775 0.414 1
1 513 . 5 1 1 A 79 79 LYS CB C 79 29.238 32.426 -3.188 1
1 517 . 5 1 1 A 79 79 LYS N N 79 123.239 121.740 1.499 1
1 518 . 5 1 1 A 80 80 LYS HA H 80 4.179 4.533 -0.354 1
1 521 . 5 1 1 A 80 80 LYS CA C 80 57.269 55.069 2.200 1
1 522 . 5 1 1 A 80 80 LYS CB C 80 31.067 32.931 -1.864 1
1 523 . 5 1 1 A 81 81 GLU H H 81 7.801 7.782 0.019 1
1 524 . 5 1 1 A 81 81 GLU HA H 81 4.513 4.067 0.446 1
1 527 . 5 1 1 A 81 81 GLU CA C 81 57.915 57.287 0.628 1
1 528 . 5 1 1 A 81 81 GLU CB C 81 26.150 27.069 -0.919 1
1 529 . 5 1 1 A 81 81 GLU N N 81 126.946 116.974 9.972 1
1 530 . 5 1 1 A 82 82 MET H H 82 7.978 7.839 0.139 1
1 531 . 5 1 1 A 82 82 MET HA H 82 3.781 4.256 -0.475 1
1 536 . 5 1 1 A 82 82 MET C C 82 176.695 176.567 0.128 1
1 537 . 5 1 1 A 82 82 MET CA C 82 57.599 58.680 -1.081 1
1 538 . 5 1 1 A 82 82 MET CB C 82 33.067 33.413 -0.346 1
1 540 . 5 1 1 A 82 82 MET N N 82 112.370 118.192 -5.822 1
1 541 . 5 1 1 A 83 83 LEU H H 83 6.928 7.781 -0.853 1
1 542 . 5 1 1 A 83 83 LEU HA H 83 5.042 4.703 0.339 1
1 548 . 5 1 1 A 83 83 LEU C C 83 175.376 174.383 0.993 1
1 549 . 5 1 1 A 83 83 LEU CA C 83 52.193 53.697 -1.504 1
1 550 . 5 1 1 A 83 83 LEU CB C 83 48.040 44.219 3.821 1
1 553 . 5 1 1 A 83 83 LEU N N 83 116.646 114.444 2.202 1
1 554 . 5 1 1 A 84 84 SER H H 84 9.089 8.420 0.669 1
1 555 . 5 1 1 A 84 84 SER HA H 84 4.711 5.399 -0.688 1
1 558 . 5 1 1 A 84 84 SER C C 84 173.496 173.200 0.296 1
1 559 . 5 1 1 A 84 84 SER CA C 84 56.311 57.541 -1.230 1
1 560 . 5 1 1 A 84 84 SER CB C 84 65.943 67.230 -1.287 1
1 561 . 5 1 1 A 84 84 SER N N 84 115.366 114.911 0.455 1
1 562 . 5 1 1 A 85 85 THR H H 85 8.091 8.682 -0.591 1
1 563 . 5 1 1 A 85 85 THR HA H 85 5.036 5.212 -0.176 1
1 568 . 5 1 1 A 85 85 THR C C 85 173.844 172.281 1.563 1
1 569 . 5 1 1 A 85 85 THR CA C 85 58.919 59.749 -0.830 1
1 570 . 5 1 1 A 85 85 THR CB C 85 71.518 71.375 0.143 1
1 572 . 5 1 1 A 85 85 THR N N 85 110.842 115.471 -4.629 1
1 573 . 5 1 1 A 86 86 GLU H H 86 8.128 8.868 -0.740 1
1 574 . 5 1 1 A 86 86 GLU HA H 86 4.413 5.071 -0.658 1
1 578 . 5 1 1 A 86 86 GLU C C 86 174.693 173.724 0.969 1
1 579 . 5 1 1 A 86 86 GLU CA C 86 54.405 54.221 0.184 1
1 580 . 5 1 1 A 86 86 GLU CB C 86 33.099 33.909 -0.810 1
1 582 . 5 1 1 A 86 86 GLU N N 86 122.318 124.683 -2.365 1
1 583 . 5 1 1 A 87 87 LYS H H 87 8.622 8.639 -0.017 1
1 584 . 5 1 1 A 87 87 LYS HA H 87 4.153 4.517 -0.364 1
1 593 . 5 1 1 A 87 87 LYS C C 87 175.909 174.621 1.288 1
1 594 . 5 1 1 A 87 87 LYS CA C 87 56.403 54.229 2.174 1
1 595 . 5 1 1 A 87 87 LYS CB C 87 32.960 34.902 -1.942 1
1 599 . 5 1 1 A 87 87 LYS N N 87 124.854 121.371 3.483 1
1 600 . 5 1 1 A 88 88 GLU HA H 88 4.276 4.551 -0.275 1
1 604 . 5 1 1 A 88 88 GLU C C 88 175.998 176.454 -0.456 1
1 605 . 5 1 1 A 88 88 GLU CA C 88 55.362 55.040 0.322 1
1 606 . 5 1 1 A 88 88 GLU CB C 88 30.945 30.606 0.339 1
1 608 . 5 1 1 A 91 91 LYS H H 91 7.651 7.214 0.437 1
1 609 . 5 1 1 A 91 91 LYS HA H 91 4.456 4.827 -0.371 1
1 616 . 5 1 1 A 91 91 LYS C C 91 174.960 175.017 -0.057 1
1 617 . 5 1 1 A 91 91 LYS CA C 91 54.992 54.559 0.433 1
1 618 . 5 1 1 A 91 91 LYS CB C 91 34.855 35.448 -0.593 1
1 622 . 5 1 1 A 91 91 LYS N N 91 119.096 116.877 2.219 1
1 623 . 5 1 1 A 92 92 PHE H H 92 7.904 8.824 -0.920 1
1 624 . 5 1 1 A 92 92 PHE HA H 92 4.772 5.369 -0.597 1
1 631 . 5 1 1 A 92 92 PHE C C 92 175.183 175.021 0.162 1
1 632 . 5 1 1 A 92 92 PHE CA C 92 57.762 56.087 1.675 1
1 633 . 5 1 1 A 92 92 PHE CB C 92 40.747 41.880 -1.133 1
1 634 . 5 1 1 A 92 92 PHE N N 92 118.936 117.346 1.590 1
1 635 . 5 1 1 A 93 93 VAL H H 93 8.626 9.248 -0.622 1
1 636 . 5 1 1 A 93 93 VAL HA H 93 4.090 4.799 -0.709 1
1 644 . 5 1 1 A 93 93 VAL C C 93 174.856 174.320 0.536 1
1 645 . 5 1 1 A 93 93 VAL CA C 93 61.228 61.190 0.038 1
1 646 . 5 1 1 A 93 93 VAL CB C 93 33.595 33.906 -0.311 1
1 648 . 5 1 1 A 93 93 VAL N N 93 120.649 120.786 -0.137 1
1 649 . 5 1 1 A 94 94 TYR H H 94 8.950 9.473 -0.523 1
1 650 . 5 1 1 A 94 94 TYR HA H 94 5.029 5.197 -0.168 1
1 657 . 5 1 1 A 94 94 TYR C C 94 175.242 175.260 -0.018 1
1 658 . 5 1 1 A 94 94 TYR CA C 94 57.619 56.933 0.686 1
1 659 . 5 1 1 A 94 94 TYR CB C 94 41.447 39.260 2.187 1
1 660 . 5 1 1 A 94 94 TYR N N 94 125.589 127.528 -1.939 1
1 661 . 5 1 1 A 95 95 ARG H H 95 8.275 8.974 -0.699 1
1 662 . 5 1 1 A 95 95 ARG HA H 95 5.001 4.903 0.098 1
1 665 . 5 1 1 A 95 95 ARG CA C 95 53.055 53.068 -0.013 1
1 666 . 5 1 1 A 95 95 ARG N N 95 118.094 124.860 -6.766 1
1 670 . 5 1 1 A 96 96 PRO CA C 96 63.815 63.543 0.272 1
1 671 . 5 1 1 A 96 96 PRO CB C 96 33.778 31.731 2.047 1
1 673 . 5 1 1 A 97 97 LEU H H 97 7.862 7.412 0.450 1
1 674 . 5 1 1 A 97 97 LEU HA H 97 4.054 4.176 -0.122 1
1 684 . 5 1 1 A 97 97 LEU CA C 97 55.208 54.855 0.353 1
1 685 . 5 1 1 A 97 97 LEU CB C 97 42.072 41.579 0.493 1
1 1 . 6 1 1 A 36 36 ALA HA H 36 4.250 4.245 0.005 1
1 5 . 6 1 1 A 36 36 ALA CA C 36 55.550 55.062 0.488 1
1 6 . 6 1 1 A 36 36 ALA CB C 36 19.203 18.634 0.569 1
1 7 . 6 1 1 A 39 39 ILE HA H 39 4.250 3.637 0.613 1
1 17 . 6 1 1 A 39 39 ILE CA C 39 58.724 65.461 -6.737 1
1 18 . 6 1 1 A 39 39 ILE CB C 39 38.496 38.039 0.457 1
1 22 . 6 1 1 A 40 40 VAL HA H 40 3.198 4.178 -0.980 1
1 30 . 6 1 1 A 40 40 VAL CA C 40 67.086 64.068 3.018 1
1 31 . 6 1 1 A 40 40 VAL CB C 40 30.969 31.374 -0.405 1
1 34 . 6 1 1 A 42 42 ARG HA H 42 3.770 4.552 -0.782 1
1 35 . 6 1 1 A 42 42 ARG CA C 42 55.107 57.568 -2.461 1
1 36 . 6 1 1 A 43 43 VAL H H 43 7.364 7.687 -0.323 1
1 37 . 6 1 1 A 43 43 VAL HA H 43 3.506 3.869 -0.363 1
1 45 . 6 1 1 A 43 43 VAL C C 43 178.600 178.711 -0.111 1
1 46 . 6 1 1 A 43 43 VAL CA C 43 66.598 65.444 1.154 1
1 47 . 6 1 1 A 43 43 VAL CB C 43 31.203 31.509 -0.306 1
1 50 . 6 1 1 A 43 43 VAL N N 43 119.765 118.861 0.904 1
1 51 . 6 1 1 A 44 44 ILE H H 44 7.829 8.051 -0.222 1
1 52 . 6 1 1 A 44 44 ILE HA H 44 3.242 3.877 -0.635 1
1 62 . 6 1 1 A 44 44 ILE C C 44 178.289 178.417 -0.128 1
1 63 . 6 1 1 A 44 44 ILE CA C 44 66.146 64.517 1.629 1
1 64 . 6 1 1 A 44 44 ILE CB C 44 36.869 36.655 0.214 1
1 68 . 6 1 1 A 44 44 ILE N N 44 120.991 121.911 -0.920 1
1 69 . 6 1 1 A 45 45 TRP H H 45 9.154 8.215 0.939 1
1 70 . 6 1 1 A 45 45 TRP HA H 45 4.377 4.123 0.254 1
1 77 . 6 1 1 A 45 45 TRP C C 45 179.154 178.997 0.157 1
1 78 . 6 1 1 A 45 45 TRP CA C 45 60.749 61.211 -0.462 1
1 79 . 6 1 1 A 45 45 TRP CB C 45 28.620 29.695 -1.075 1
1 80 . 6 1 1 A 45 45 TRP N N 45 119.877 123.248 -3.371 1
1 82 . 6 1 1 A 46 46 SER H H 46 7.556 7.777 -0.221 1
1 83 . 6 1 1 A 46 46 SER HA H 46 4.247 4.254 -0.007 1
1 86 . 6 1 1 A 46 46 SER C C 46 175.737 176.882 -1.145 1
1 87 . 6 1 1 A 46 46 SER CA C 46 61.315 61.141 0.174 1
1 88 . 6 1 1 A 46 46 SER CB C 46 63.510 62.969 0.541 1
1 89 . 6 1 1 A 46 46 SER N N 46 113.170 114.464 -1.294 1
1 90 . 6 1 1 A 47 47 LEU H H 47 7.667 7.911 -0.244 1
1 91 . 6 1 1 A 47 47 LEU HA H 47 4.274 4.161 0.113 1
1 101 . 6 1 1 A 47 47 LEU C C 47 178.987 176.839 2.148 1
1 102 . 6 1 1 A 47 47 LEU CA C 47 55.835 56.537 -0.702 1
1 103 . 6 1 1 A 47 47 LEU CB C 47 43.548 43.158 0.390 1
1 107 . 6 1 1 A 47 47 LEU N N 47 120.838 121.524 -0.686 1
1 108 . 6 1 1 A 48 48 GLY H H 48 8.656 7.775 0.881 1
1 109 . 6 1 1 A 48 48 GLY HA2 H 48 4.373 3.955 0.418 1
1 110 . 6 1 1 A 48 48 GLY HA3 H 48 3.296 4.005 -0.709 1
1 111 . 6 1 1 A 48 48 GLY C C 48 173.625 173.260 0.365 1
1 112 . 6 1 1 A 48 48 GLY CA C 48 46.944 45.663 1.281 1
1 113 . 6 1 1 A 48 48 GLY N N 48 113.217 106.990 6.227 1
1 114 . 6 1 1 A 49 49 GLU H H 49 7.347 8.204 -0.857 1
1 115 . 6 1 1 A 49 49 GLU HA H 49 4.830 5.063 -0.233 1
1 120 . 6 1 1 A 49 49 GLU C C 49 174.973 174.688 0.285 1
1 121 . 6 1 1 A 49 49 GLU CA C 49 55.026 54.525 0.501 1
1 122 . 6 1 1 A 49 49 GLU CB C 49 31.947 33.120 -1.173 1
1 124 . 6 1 1 A 49 49 GLU N N 49 116.219 116.953 -0.734 1
1 125 . 6 1 1 A 50 50 ALA H H 50 8.598 8.714 -0.116 1
1 126 . 6 1 1 A 50 50 ALA HA H 50 4.817 5.197 -0.380 1
1 130 . 6 1 1 A 50 50 ALA C C 50 176.042 175.659 0.383 1
1 131 . 6 1 1 A 50 50 ALA CA C 50 52.189 50.764 1.425 1
1 132 . 6 1 1 A 50 50 ALA CB C 50 24.738 24.071 0.667 1
1 133 . 6 1 1 A 50 50 ALA N N 50 122.121 121.488 0.633 1
1 134 . 6 1 1 A 51 51 ARG H H 51 8.935 8.733 0.202 1
1 135 . 6 1 1 A 51 51 ARG HA H 51 5.098 5.129 -0.031 1
1 142 . 6 1 1 A 51 51 ARG C C 51 178.696 177.576 1.120 1
1 143 . 6 1 1 A 51 51 ARG CA C 51 54.995 54.679 0.316 1
1 144 . 6 1 1 A 51 51 ARG CB C 51 32.605 32.246 0.359 1
1 147 . 6 1 1 A 51 51 ARG N N 51 121.019 119.785 1.234 1
1 148 . 6 1 1 A 52 52 VAL H H 52 9.767 8.694 1.073 1
1 149 . 6 1 1 A 52 52 VAL HA H 52 3.494 3.975 -0.481 1
1 157 . 6 1 1 A 52 52 VAL C C 52 176.292 177.580 -1.288 1
1 158 . 6 1 1 A 52 52 VAL CA C 52 67.295 65.273 2.022 1
1 159 . 6 1 1 A 52 52 VAL CB C 52 31.427 31.506 -0.079 1
1 162 . 6 1 1 A 52 52 VAL N N 52 121.483 122.119 -0.636 1
1 163 . 6 1 1 A 53 53 ASP H H 53 8.640 8.290 0.350 1
1 164 . 6 1 1 A 53 53 ASP HA H 53 4.199 4.509 -0.310 1
1 167 . 6 1 1 A 53 53 ASP C C 53 178.904 178.273 0.631 1
1 168 . 6 1 1 A 53 53 ASP CA C 53 56.797 56.821 -0.024 1
1 169 . 6 1 1 A 53 53 ASP CB C 53 39.068 40.956 -1.888 1
1 170 . 6 1 1 A 53 53 ASP N N 53 116.987 121.035 -4.048 1
1 171 . 6 1 1 A 54 54 GLU H H 54 7.028 8.178 -1.150 1
1 172 . 6 1 1 A 54 54 GLU HA H 54 4.017 4.172 -0.155 1
1 176 . 6 1 1 A 54 54 GLU C C 54 178.696 178.958 -0.262 1
1 177 . 6 1 1 A 54 54 GLU CA C 54 58.261 58.916 -0.655 1
1 178 . 6 1 1 A 54 54 GLU CB C 54 30.742 29.540 1.202 1
1 180 . 6 1 1 A 54 54 GLU N N 54 119.862 119.045 0.817 1
1 181 . 6 1 1 A 55 55 ILE H H 55 7.639 7.972 -0.333 1
1 182 . 6 1 1 A 55 55 ILE HA H 55 3.345 3.857 -0.512 1
1 192 . 6 1 1 A 55 55 ILE C C 55 177.945 177.588 0.357 1
1 193 . 6 1 1 A 55 55 ILE CA C 55 64.533 64.421 0.112 1
1 194 . 6 1 1 A 55 55 ILE CB C 55 38.824 37.673 1.151 1
1 198 . 6 1 1 A 55 55 ILE N N 55 118.743 118.858 -0.115 1
1 199 . 6 1 1 A 56 56 TYR H H 56 8.548 8.426 0.122 1
1 200 . 6 1 1 A 56 56 TYR HA H 56 4.028 4.117 -0.089 1
1 207 . 6 1 1 A 56 56 TYR C C 56 177.279 178.111 -0.832 1
1 208 . 6 1 1 A 56 56 TYR CA C 56 61.046 61.893 -0.847 1
1 209 . 6 1 1 A 56 56 TYR CB C 56 38.746 38.566 0.180 1
1 210 . 6 1 1 A 56 56 TYR N N 56 117.394 124.256 -6.862 1
1 211 . 6 1 1 A 57 57 ALA H H 57 7.305 8.118 -0.813 1
1 212 . 6 1 1 A 57 57 ALA HA H 57 3.891 3.878 0.013 1
1 216 . 6 1 1 A 57 57 ALA C C 57 178.515 178.470 0.045 1
1 217 . 6 1 1 A 57 57 ALA CA C 57 53.867 54.557 -0.690 1
1 218 . 6 1 1 A 57 57 ALA CB C 57 18.567 18.174 0.393 1
1 219 . 6 1 1 A 57 57 ALA N N 57 116.845 121.320 -4.475 1
1 220 . 6 1 1 A 58 58 GLN H H 58 7.182 7.750 -0.568 1
1 221 . 6 1 1 A 58 58 GLN HA H 58 4.182 4.335 -0.153 1
1 228 . 6 1 1 A 58 58 GLN C C 58 176.015 174.770 1.245 1
1 229 . 6 1 1 A 58 58 GLN CA C 58 54.679 55.682 -1.003 1
1 230 . 6 1 1 A 58 58 GLN CB C 58 29.584 29.557 0.027 1
1 232 . 6 1 1 A 58 58 GLN N N 58 113.228 114.162 -0.934 1
1 234 . 6 1 1 A 59 59 ILE H H 59 7.051 7.536 -0.485 1
1 235 . 6 1 1 A 59 59 ILE HA H 59 3.829 4.153 -0.324 1
1 245 . 6 1 1 A 59 59 ILE CA C 59 57.557 58.080 -0.523 1
1 246 . 6 1 1 A 59 59 ILE CB C 59 36.090 38.428 -2.338 1
1 250 . 6 1 1 A 59 59 ILE N N 59 121.926 121.508 0.418 1
1 251 . 6 1 1 A 60 60 PRO HA H 60 4.049 4.663 -0.614 1
1 258 . 6 1 1 A 60 60 PRO CA C 60 63.775 62.014 1.761 1
1 259 . 6 1 1 A 60 60 PRO CB C 60 32.050 33.054 -1.004 1
1 262 . 6 1 1 A 61 61 GLN H H 61 8.772 8.587 0.185 1
1 263 . 6 1 1 A 61 61 GLN HA H 61 3.772 3.979 -0.207 1
1 270 . 6 1 1 A 61 61 GLN C C 61 178.654 178.066 0.588 1
1 271 . 6 1 1 A 61 61 GLN CA C 61 58.761 59.242 -0.481 1
1 272 . 6 1 1 A 61 61 GLN CB C 61 28.318 28.361 -0.043 1
1 274 . 6 1 1 A 61 61 GLN N N 61 126.284 120.899 5.385 1
1 276 . 6 1 1 A 62 62 GLU H H 62 9.471 8.006 1.465 1
1 277 . 6 1 1 A 62 62 GLU HA H 62 3.971 4.057 -0.086 1
1 282 . 6 1 1 A 62 62 GLU C C 62 177.376 177.472 -0.096 1
1 283 . 6 1 1 A 62 62 GLU CA C 62 58.072 58.720 -0.648 1
1 284 . 6 1 1 A 62 62 GLU CB C 62 28.164 29.349 -1.185 1
1 286 . 6 1 1 A 62 62 GLU N N 62 118.102 119.316 -1.214 1
1 287 . 6 1 1 A 63 63 LEU H H 63 6.792 7.173 -0.381 1
1 288 . 6 1 1 A 63 63 LEU HA H 63 3.717 4.116 -0.399 1
1 298 . 6 1 1 A 63 63 LEU C C 63 176.570 176.160 0.410 1
1 299 . 6 1 1 A 63 63 LEU CA C 63 56.173 54.825 1.348 1
1 300 . 6 1 1 A 63 63 LEU CB C 63 39.610 41.872 -2.262 1
1 304 . 6 1 1 A 63 63 LEU N N 63 118.573 118.003 0.570 1
1 305 . 6 1 1 A 64 64 GLU H H 64 7.589 7.878 -0.289 1
1 306 . 6 1 1 A 64 64 GLU HA H 64 3.782 4.072 -0.290 1
1 311 . 6 1 1 A 64 64 GLU C C 64 176.723 175.792 0.931 1
1 312 . 6 1 1 A 64 64 GLU CA C 64 57.031 57.838 -0.807 1
1 313 . 6 1 1 A 64 64 GLU CB C 64 26.951 27.921 -0.970 1
1 315 . 6 1 1 A 64 64 GLU N N 64 112.960 115.445 -2.485 1
1 316 . 6 1 1 A 65 65 TRP H H 65 8.340 7.915 0.425 1
1 317 . 6 1 1 A 65 65 TRP HA H 65 5.097 4.707 0.390 1
1 323 . 6 1 1 A 65 65 TRP CA C 65 54.697 56.630 -1.933 1
1 324 . 6 1 1 A 65 65 TRP CB C 65 30.450 28.460 1.990 1
1 325 . 6 1 1 A 65 65 TRP N N 65 119.866 121.568 -1.702 1
1 327 . 6 1 1 A 66 66 SER HA H 66 4.700 4.582 0.118 1
1 330 . 6 1 1 A 66 66 SER CA C 66 56.340 58.890 -2.550 1
1 331 . 6 1 1 A 66 66 SER CB C 66 66.184 64.005 2.179 1
1 332 . 6 1 1 A 67 67 LEU H H 67 8.622 8.640 -0.018 1
1 333 . 6 1 1 A 67 67 LEU HA H 67 3.357 3.694 -0.337 1
1 343 . 6 1 1 A 67 67 LEU C C 67 178.779 178.487 0.292 1
1 344 . 6 1 1 A 67 67 LEU CA C 67 58.385 58.106 0.279 1
1 345 . 6 1 1 A 67 67 LEU CB C 67 41.218 40.887 0.331 1
1 349 . 6 1 1 A 67 67 LEU N N 67 123.216 127.161 -3.945 1
1 350 . 6 1 1 A 68 68 ALA H H 68 7.987 8.114 -0.127 1
1 351 . 6 1 1 A 68 68 ALA HA H 68 3.766 3.994 -0.228 1
1 355 . 6 1 1 A 68 68 ALA C C 68 180.626 180.046 0.580 1
1 356 . 6 1 1 A 68 68 ALA CA C 68 55.431 54.962 0.469 1
1 357 . 6 1 1 A 68 68 ALA CB C 68 17.780 18.062 -0.282 1
1 358 . 6 1 1 A 68 68 ALA N N 68 119.912 122.149 -2.237 1
1 359 . 6 1 1 A 69 69 THR H H 69 7.781 8.077 -0.296 1
1 360 . 6 1 1 A 69 69 THR HA H 69 3.477 3.802 -0.325 1
1 365 . 6 1 1 A 69 69 THR C C 69 176.154 176.075 0.079 1
1 366 . 6 1 1 A 69 69 THR CA C 69 66.975 67.134 -0.159 1
1 367 . 6 1 1 A 69 69 THR CB C 69 68.525 68.734 -0.209 1
1 369 . 6 1 1 A 69 69 THR N N 69 118.256 114.931 3.325 1
1 370 . 6 1 1 A 70 70 VAL H H 70 7.373 8.214 -0.841 1
1 371 . 6 1 1 A 70 70 VAL HA H 70 3.201 3.734 -0.533 1
1 379 . 6 1 1 A 70 70 VAL C C 70 177.265 177.758 -0.493 1
1 380 . 6 1 1 A 70 70 VAL CA C 70 67.795 65.245 2.550 1
1 381 . 6 1 1 A 70 70 VAL CB C 70 31.342 31.260 0.082 1
1 384 . 6 1 1 A 70 70 VAL N N 70 120.502 120.301 0.201 1
1 385 . 6 1 1 A 71 71 LYS H H 71 8.521 7.394 1.127 1
1 386 . 6 1 1 A 71 71 LYS HA H 71 3.659 3.867 -0.208 1
1 395 . 6 1 1 A 71 71 LYS C C 71 180.154 179.080 1.074 1
1 396 . 6 1 1 A 71 71 LYS CA C 71 61.155 59.595 1.560 1
1 397 . 6 1 1 A 71 71 LYS CB C 71 32.114 32.399 -0.285 1
1 401 . 6 1 1 A 71 71 LYS N N 71 118.966 122.155 -3.189 1
1 402 . 6 1 1 A 72 72 THR H H 72 8.160 7.620 0.540 1
1 403 . 6 1 1 A 72 72 THR HA H 72 3.747 4.015 -0.268 1
1 408 . 6 1 1 A 72 72 THR C C 72 177.209 176.540 0.669 1
1 409 . 6 1 1 A 72 72 THR CA C 72 66.978 65.406 1.572 1
1 410 . 6 1 1 A 72 72 THR CB C 72 68.268 68.667 -0.399 1
1 412 . 6 1 1 A 72 72 THR N N 72 119.017 113.656 5.361 1
1 413 . 6 1 1 A 73 73 LEU H H 73 7.753 8.167 -0.414 1
1 414 . 6 1 1 A 73 73 LEU HA H 73 3.682 4.003 -0.321 1
1 424 . 6 1 1 A 73 73 LEU C C 73 178.821 178.408 0.413 1
1 425 . 6 1 1 A 73 73 LEU CA C 73 58.671 58.045 0.626 1
1 426 . 6 1 1 A 73 73 LEU CB C 73 42.182 41.512 0.670 1
1 430 . 6 1 1 A 73 73 LEU N N 73 123.340 122.632 0.708 1
1 431 . 6 1 1 A 74 74 LEU H H 74 8.341 8.465 -0.124 1
1 432 . 6 1 1 A 74 74 LEU HA H 74 3.551 3.876 -0.325 1
1 442 . 6 1 1 A 74 74 LEU C C 74 178.832 179.587 -0.755 1
1 443 . 6 1 1 A 74 74 LEU CA C 74 58.293 58.373 -0.080 1
1 444 . 6 1 1 A 74 74 LEU CB C 74 40.530 41.173 -0.643 1
1 448 . 6 1 1 A 74 74 LEU N N 74 118.538 119.055 -0.517 1
1 449 . 6 1 1 A 75 75 GLY H H 75 7.780 8.147 -0.367 1
1 450 . 6 1 1 A 75 75 GLY HA2 H 75 3.648 3.937 -0.289 1
1 451 . 6 1 1 A 75 75 GLY HA3 H 75 3.767 3.965 -0.198 1
1 452 . 6 1 1 A 75 75 GLY C C 75 177.626 176.481 1.145 1
1 453 . 6 1 1 A 75 75 GLY CA C 75 47.290 46.818 0.472 1
1 454 . 6 1 1 A 75 75 GLY N N 75 103.878 104.981 -1.103 1
1 455 . 6 1 1 A 76 76 ARG H H 76 7.637 8.113 -0.476 1
1 456 . 6 1 1 A 76 76 ARG HA H 76 3.908 4.065 -0.157 1
1 463 . 6 1 1 A 76 76 ARG C C 76 179.001 178.702 0.299 1
1 464 . 6 1 1 A 76 76 ARG CA C 76 59.378 59.128 0.250 1
1 465 . 6 1 1 A 76 76 ARG CB C 76 30.767 30.523 0.244 1
1 468 . 6 1 1 A 76 76 ARG N N 76 122.469 122.382 0.087 1
1 469 . 6 1 1 A 77 77 LEU H H 77 7.922 8.174 -0.252 1
1 470 . 6 1 1 A 77 77 LEU HA H 77 3.812 4.131 -0.319 1
1 480 . 6 1 1 A 77 77 LEU C C 77 179.835 179.871 -0.036 1
1 481 . 6 1 1 A 77 77 LEU CA C 77 58.306 58.099 0.207 1
1 482 . 6 1 1 A 77 77 LEU CB C 77 42.365 42.026 0.339 1
1 486 . 6 1 1 A 77 77 LEU N N 77 120.640 120.173 0.467 1
1 487 . 6 1 1 A 78 78 VAL H H 78 8.287 8.077 0.210 1
1 488 . 6 1 1 A 78 78 VAL HA H 78 3.950 3.970 -0.020 1
1 496 . 6 1 1 A 78 78 VAL C C 78 181.099 177.899 3.200 1
1 497 . 6 1 1 A 78 78 VAL CA C 78 66.044 65.698 0.346 1
1 498 . 6 1 1 A 78 78 VAL CB C 78 32.287 31.498 0.789 1
1 501 . 6 1 1 A 78 78 VAL N N 78 121.179 113.779 7.400 1
1 502 . 6 1 1 A 79 79 LYS H H 79 7.836 8.076 -0.240 1
1 503 . 6 1 1 A 79 79 LYS HA H 79 4.004 4.238 -0.234 1
1 512 . 6 1 1 A 79 79 LYS CA C 79 59.189 58.400 0.789 1
1 513 . 6 1 1 A 79 79 LYS CB C 79 29.238 32.039 -2.801 1
1 517 . 6 1 1 A 79 79 LYS N N 79 123.239 120.465 2.774 1
1 518 . 6 1 1 A 80 80 LYS HA H 80 4.179 4.452 -0.273 1
1 521 . 6 1 1 A 80 80 LYS CA C 80 57.269 55.573 1.696 1
1 522 . 6 1 1 A 80 80 LYS CB C 80 31.067 32.548 -1.481 1
1 523 . 6 1 1 A 81 81 GLU H H 81 7.801 8.118 -0.317 1
1 524 . 6 1 1 A 81 81 GLU HA H 81 4.513 4.146 0.367 1
1 527 . 6 1 1 A 81 81 GLU CA C 81 57.915 57.501 0.414 1
1 528 . 6 1 1 A 81 81 GLU CB C 81 26.150 27.259 -1.109 1
1 529 . 6 1 1 A 81 81 GLU N N 81 126.946 115.301 11.645 1
1 530 . 6 1 1 A 82 82 MET H H 82 7.978 8.038 -0.060 1
1 531 . 6 1 1 A 82 82 MET HA H 82 3.781 4.332 -0.551 1
1 536 . 6 1 1 A 82 82 MET C C 82 176.695 176.593 0.102 1
1 537 . 6 1 1 A 82 82 MET CA C 82 57.599 58.325 -0.726 1
1 538 . 6 1 1 A 82 82 MET CB C 82 33.067 33.882 -0.815 1
1 540 . 6 1 1 A 82 82 MET N N 82 112.370 118.567 -6.197 1
1 541 . 6 1 1 A 83 83 LEU H H 83 6.928 7.799 -0.871 1
1 542 . 6 1 1 A 83 83 LEU HA H 83 5.042 4.713 0.329 1
1 548 . 6 1 1 A 83 83 LEU C C 83 175.376 174.518 0.858 1
1 549 . 6 1 1 A 83 83 LEU CA C 83 52.193 53.734 -1.541 1
1 550 . 6 1 1 A 83 83 LEU CB C 83 48.040 44.266 3.774 1
1 553 . 6 1 1 A 83 83 LEU N N 83 116.646 114.679 1.967 1
1 554 . 6 1 1 A 84 84 SER H H 84 9.089 8.646 0.443 1
1 555 . 6 1 1 A 84 84 SER HA H 84 4.711 5.546 -0.835 1
1 558 . 6 1 1 A 84 84 SER C C 84 173.496 173.171 0.325 1
1 559 . 6 1 1 A 84 84 SER CA C 84 56.311 57.055 -0.744 1
1 560 . 6 1 1 A 84 84 SER CB C 84 65.943 66.793 -0.850 1
1 561 . 6 1 1 A 84 84 SER N N 84 115.366 115.707 -0.341 1
1 562 . 6 1 1 A 85 85 THR H H 85 8.091 8.777 -0.686 1
1 563 . 6 1 1 A 85 85 THR HA H 85 5.036 5.143 -0.107 1
1 568 . 6 1 1 A 85 85 THR C C 85 173.844 171.785 2.059 1
1 569 . 6 1 1 A 85 85 THR CA C 85 58.919 59.920 -1.001 1
1 570 . 6 1 1 A 85 85 THR CB C 85 71.518 71.422 0.096 1
1 572 . 6 1 1 A 85 85 THR N N 85 110.842 115.926 -5.084 1
1 573 . 6 1 1 A 86 86 GLU H H 86 8.128 8.631 -0.503 1
1 574 . 6 1 1 A 86 86 GLU HA H 86 4.413 4.971 -0.558 1
1 578 . 6 1 1 A 86 86 GLU C C 86 174.693 174.498 0.195 1
1 579 . 6 1 1 A 86 86 GLU CA C 86 54.405 54.453 -0.048 1
1 580 . 6 1 1 A 86 86 GLU CB C 86 33.099 33.880 -0.781 1
1 582 . 6 1 1 A 86 86 GLU N N 86 122.318 126.955 -4.637 1
1 583 . 6 1 1 A 87 87 LYS H H 87 8.622 8.188 0.434 1
1 584 . 6 1 1 A 87 87 LYS HA H 87 4.153 3.340 0.813 1
1 593 . 6 1 1 A 87 87 LYS C C 87 175.909 174.625 1.284 1
1 594 . 6 1 1 A 87 87 LYS CA C 87 56.403 55.728 0.675 1
1 595 . 6 1 1 A 87 87 LYS CB C 87 32.960 32.505 0.455 1
1 599 . 6 1 1 A 87 87 LYS N N 87 124.854 123.292 1.562 1
1 600 . 6 1 1 A 88 88 GLU HA H 88 4.276 4.451 -0.175 1
1 604 . 6 1 1 A 88 88 GLU C C 88 175.998 176.438 -0.440 1
1 605 . 6 1 1 A 88 88 GLU CA C 88 55.362 54.929 0.433 1
1 606 . 6 1 1 A 88 88 GLU CB C 88 30.945 30.657 0.288 1
1 608 . 6 1 1 A 91 91 LYS H H 91 7.651 7.288 0.363 1
1 609 . 6 1 1 A 91 91 LYS HA H 91 4.456 4.615 -0.159 1
1 616 . 6 1 1 A 91 91 LYS C C 91 174.960 175.946 -0.986 1
1 617 . 6 1 1 A 91 91 LYS CA C 91 54.992 55.942 -0.950 1
1 618 . 6 1 1 A 91 91 LYS CB C 91 34.855 34.223 0.632 1
1 622 . 6 1 1 A 91 91 LYS N N 91 119.096 119.399 -0.303 1
1 623 . 6 1 1 A 92 92 PHE H H 92 7.904 9.062 -1.158 1
1 624 . 6 1 1 A 92 92 PHE HA H 92 4.772 5.191 -0.419 1
1 631 . 6 1 1 A 92 92 PHE C C 92 175.183 174.626 0.557 1
1 632 . 6 1 1 A 92 92 PHE CA C 92 57.762 56.653 1.109 1
1 633 . 6 1 1 A 92 92 PHE CB C 92 40.747 43.133 -2.386 1
1 634 . 6 1 1 A 92 92 PHE N N 92 118.936 118.263 0.673 1
1 635 . 6 1 1 A 93 93 VAL H H 93 8.626 9.320 -0.694 1
1 636 . 6 1 1 A 93 93 VAL HA H 93 4.090 4.718 -0.628 1
1 644 . 6 1 1 A 93 93 VAL C C 93 174.856 175.199 -0.343 1
1 645 . 6 1 1 A 93 93 VAL CA C 93 61.228 61.590 -0.362 1
1 646 . 6 1 1 A 93 93 VAL CB C 93 33.595 32.170 1.425 1
1 648 . 6 1 1 A 93 93 VAL N N 93 120.649 121.342 -0.693 1
1 649 . 6 1 1 A 94 94 TYR H H 94 8.950 9.476 -0.526 1
1 650 . 6 1 1 A 94 94 TYR HA H 94 5.029 5.182 -0.153 1
1 657 . 6 1 1 A 94 94 TYR C C 94 175.242 175.832 -0.590 1
1 658 . 6 1 1 A 94 94 TYR CA C 94 57.619 57.941 -0.322 1
1 659 . 6 1 1 A 94 94 TYR CB C 94 41.447 38.899 2.548 1
1 660 . 6 1 1 A 94 94 TYR N N 94 125.589 127.620 -2.031 1
1 661 . 6 1 1 A 95 95 ARG H H 95 8.275 8.950 -0.675 1
1 662 . 6 1 1 A 95 95 ARG HA H 95 5.001 5.081 -0.080 1
1 665 . 6 1 1 A 95 95 ARG CA C 95 53.055 53.629 -0.574 1
1 666 . 6 1 1 A 95 95 ARG N N 95 118.094 121.687 -3.593 1
1 670 . 6 1 1 A 96 96 PRO CA C 96 63.815 62.256 1.559 1
1 671 . 6 1 1 A 96 96 PRO CB C 96 33.778 32.616 1.162 1
1 673 . 6 1 1 A 97 97 LEU H H 97 7.862 8.576 -0.714 1
1 674 . 6 1 1 A 97 97 LEU HA H 97 4.054 4.747 -0.693 1
1 684 . 6 1 1 A 97 97 LEU CA C 97 55.208 53.778 1.430 1
1 685 . 6 1 1 A 97 97 LEU CB C 97 42.072 42.812 -0.740 1
1 1 . 7 1 1 A 36 36 ALA HA H 36 4.250 4.299 -0.049 1
1 5 . 7 1 1 A 36 36 ALA CA C 36 55.550 54.074 1.476 1
1 6 . 7 1 1 A 36 36 ALA CB C 36 19.203 18.861 0.342 1
1 7 . 7 1 1 A 39 39 ILE HA H 39 4.250 3.690 0.560 1
1 17 . 7 1 1 A 39 39 ILE CA C 39 58.724 65.299 -6.575 1
1 18 . 7 1 1 A 39 39 ILE CB C 39 38.496 37.653 0.843 1
1 22 . 7 1 1 A 40 40 VAL HA H 40 3.198 3.933 -0.735 1
1 30 . 7 1 1 A 40 40 VAL CA C 40 67.086 65.223 1.863 1
1 31 . 7 1 1 A 40 40 VAL CB C 40 30.969 31.470 -0.501 1
1 34 . 7 1 1 A 42 42 ARG HA H 42 3.770 4.475 -0.705 1
1 35 . 7 1 1 A 42 42 ARG CA C 42 55.107 57.216 -2.109 1
1 36 . 7 1 1 A 43 43 VAL H H 43 7.364 7.867 -0.503 1
1 37 . 7 1 1 A 43 43 VAL HA H 43 3.506 3.803 -0.297 1
1 45 . 7 1 1 A 43 43 VAL C C 43 178.600 177.538 1.062 1
1 46 . 7 1 1 A 43 43 VAL CA C 43 66.598 65.734 0.864 1
1 47 . 7 1 1 A 43 43 VAL CB C 43 31.203 31.882 -0.679 1
1 50 . 7 1 1 A 43 43 VAL N N 43 119.765 120.053 -0.288 1
1 51 . 7 1 1 A 44 44 ILE H H 44 7.829 8.165 -0.336 1
1 52 . 7 1 1 A 44 44 ILE HA H 44 3.242 3.793 -0.551 1
1 62 . 7 1 1 A 44 44 ILE C C 44 178.289 178.571 -0.282 1
1 63 . 7 1 1 A 44 44 ILE CA C 44 66.146 64.779 1.367 1
1 64 . 7 1 1 A 44 44 ILE CB C 44 36.869 37.252 -0.383 1
1 68 . 7 1 1 A 44 44 ILE N N 44 120.991 120.849 0.142 1
1 69 . 7 1 1 A 45 45 TRP H H 45 9.154 8.199 0.955 1
1 70 . 7 1 1 A 45 45 TRP HA H 45 4.377 4.080 0.297 1
1 77 . 7 1 1 A 45 45 TRP C C 45 179.154 178.990 0.164 1
1 78 . 7 1 1 A 45 45 TRP CA C 45 60.749 61.152 -0.403 1
1 79 . 7 1 1 A 45 45 TRP CB C 45 28.620 29.472 -0.852 1
1 80 . 7 1 1 A 45 45 TRP N N 45 119.877 122.796 -2.919 1
1 82 . 7 1 1 A 46 46 SER H H 46 7.556 7.769 -0.213 1
1 83 . 7 1 1 A 46 46 SER HA H 46 4.247 4.337 -0.090 1
1 86 . 7 1 1 A 46 46 SER C C 46 175.737 177.470 -1.733 1
1 87 . 7 1 1 A 46 46 SER CA C 46 61.315 61.230 0.085 1
1 88 . 7 1 1 A 46 46 SER CB C 46 63.510 62.963 0.547 1
1 89 . 7 1 1 A 46 46 SER N N 46 113.170 114.652 -1.482 1
1 90 . 7 1 1 A 47 47 LEU H H 47 7.667 7.562 0.105 1
1 91 . 7 1 1 A 47 47 LEU HA H 47 4.274 4.064 0.210 1
1 101 . 7 1 1 A 47 47 LEU C C 47 178.987 176.753 2.234 1
1 102 . 7 1 1 A 47 47 LEU CA C 47 55.835 56.736 -0.901 1
1 103 . 7 1 1 A 47 47 LEU CB C 47 43.548 42.528 1.020 1
1 107 . 7 1 1 A 47 47 LEU N N 47 120.838 120.080 0.758 1
1 108 . 7 1 1 A 48 48 GLY H H 48 8.656 8.521 0.135 1
1 109 . 7 1 1 A 48 48 GLY HA2 H 48 4.373 3.884 0.489 1
1 110 . 7 1 1 A 48 48 GLY HA3 H 48 3.296 3.934 -0.638 1
1 111 . 7 1 1 A 48 48 GLY C C 48 173.625 173.352 0.273 1
1 112 . 7 1 1 A 48 48 GLY CA C 48 46.944 45.170 1.774 1
1 113 . 7 1 1 A 48 48 GLY N N 48 113.217 106.504 6.713 1
1 114 . 7 1 1 A 49 49 GLU H H 49 7.347 7.914 -0.567 1
1 115 . 7 1 1 A 49 49 GLU HA H 49 4.830 4.950 -0.120 1
1 120 . 7 1 1 A 49 49 GLU C C 49 174.973 174.579 0.394 1
1 121 . 7 1 1 A 49 49 GLU CA C 49 55.026 55.355 -0.329 1
1 122 . 7 1 1 A 49 49 GLU CB C 49 31.947 33.267 -1.320 1
1 124 . 7 1 1 A 49 49 GLU N N 49 116.219 121.389 -5.170 1
1 125 . 7 1 1 A 50 50 ALA H H 50 8.598 8.761 -0.163 1
1 126 . 7 1 1 A 50 50 ALA HA H 50 4.817 5.273 -0.456 1
1 130 . 7 1 1 A 50 50 ALA C C 50 176.042 175.853 0.189 1
1 131 . 7 1 1 A 50 50 ALA CA C 50 52.189 50.586 1.603 1
1 132 . 7 1 1 A 50 50 ALA CB C 50 24.738 24.301 0.437 1
1 133 . 7 1 1 A 50 50 ALA N N 50 122.121 127.774 -5.653 1
1 134 . 7 1 1 A 51 51 ARG H H 51 8.935 8.729 0.206 1
1 135 . 7 1 1 A 51 51 ARG HA H 51 5.098 5.088 0.010 1
1 142 . 7 1 1 A 51 51 ARG C C 51 178.696 177.824 0.872 1
1 143 . 7 1 1 A 51 51 ARG CA C 51 54.995 54.851 0.144 1
1 144 . 7 1 1 A 51 51 ARG CB C 51 32.605 32.009 0.596 1
1 147 . 7 1 1 A 51 51 ARG N N 51 121.019 119.308 1.711 1
1 148 . 7 1 1 A 52 52 VAL H H 52 9.767 8.694 1.073 1
1 149 . 7 1 1 A 52 52 VAL HA H 52 3.494 3.892 -0.398 1
1 157 . 7 1 1 A 52 52 VAL C C 52 176.292 176.984 -0.692 1
1 158 . 7 1 1 A 52 52 VAL CA C 52 67.295 65.299 1.996 1
1 159 . 7 1 1 A 52 52 VAL CB C 52 31.427 32.041 -0.614 1
1 162 . 7 1 1 A 52 52 VAL N N 52 121.483 123.473 -1.990 1
1 163 . 7 1 1 A 53 53 ASP H H 53 8.640 8.279 0.361 1
1 164 . 7 1 1 A 53 53 ASP HA H 53 4.199 4.487 -0.288 1
1 167 . 7 1 1 A 53 53 ASP C C 53 178.904 178.634 0.270 1
1 168 . 7 1 1 A 53 53 ASP CA C 53 56.797 56.941 -0.144 1
1 169 . 7 1 1 A 53 53 ASP CB C 53 39.068 41.029 -1.961 1
1 170 . 7 1 1 A 53 53 ASP N N 53 116.987 121.352 -4.365 1
1 171 . 7 1 1 A 54 54 GLU H H 54 7.028 8.014 -0.986 1
1 172 . 7 1 1 A 54 54 GLU HA H 54 4.017 4.194 -0.177 1
1 176 . 7 1 1 A 54 54 GLU C C 54 178.696 179.031 -0.335 1
1 177 . 7 1 1 A 54 54 GLU CA C 54 58.261 59.119 -0.858 1
1 178 . 7 1 1 A 54 54 GLU CB C 54 30.742 30.056 0.686 1
1 180 . 7 1 1 A 54 54 GLU N N 54 119.862 119.119 0.743 1
1 181 . 7 1 1 A 55 55 ILE H H 55 7.639 8.142 -0.503 1
1 182 . 7 1 1 A 55 55 ILE HA H 55 3.345 3.845 -0.500 1
1 192 . 7 1 1 A 55 55 ILE C C 55 177.945 177.638 0.307 1
1 193 . 7 1 1 A 55 55 ILE CA C 55 64.533 64.544 -0.011 1
1 194 . 7 1 1 A 55 55 ILE CB C 55 38.824 37.686 1.138 1
1 198 . 7 1 1 A 55 55 ILE N N 55 118.743 118.426 0.317 1
1 199 . 7 1 1 A 56 56 TYR H H 56 8.548 7.954 0.594 1
1 200 . 7 1 1 A 56 56 TYR HA H 56 4.028 4.096 -0.068 1
1 207 . 7 1 1 A 56 56 TYR C C 56 177.279 178.181 -0.902 1
1 208 . 7 1 1 A 56 56 TYR CA C 56 61.046 62.010 -0.964 1
1 209 . 7 1 1 A 56 56 TYR CB C 56 38.746 38.592 0.154 1
1 210 . 7 1 1 A 56 56 TYR N N 56 117.394 124.263 -6.869 1
1 211 . 7 1 1 A 57 57 ALA H H 57 7.305 8.085 -0.780 1
1 212 . 7 1 1 A 57 57 ALA HA H 57 3.891 3.948 -0.057 1
1 216 . 7 1 1 A 57 57 ALA C C 57 178.515 179.104 -0.589 1
1 217 . 7 1 1 A 57 57 ALA CA C 57 53.867 54.832 -0.965 1
1 218 . 7 1 1 A 57 57 ALA CB C 57 18.567 18.123 0.444 1
1 219 . 7 1 1 A 57 57 ALA N N 57 116.845 121.488 -4.643 1
1 220 . 7 1 1 A 58 58 GLN H H 58 7.182 7.654 -0.472 1
1 221 . 7 1 1 A 58 58 GLN HA H 58 4.182 4.233 -0.051 1
1 228 . 7 1 1 A 58 58 GLN C C 58 176.015 174.985 1.030 1
1 229 . 7 1 1 A 58 58 GLN CA C 58 54.679 56.871 -2.192 1
1 230 . 7 1 1 A 58 58 GLN CB C 58 29.584 29.098 0.486 1
1 232 . 7 1 1 A 58 58 GLN N N 58 113.228 114.632 -1.404 1
1 234 . 7 1 1 A 59 59 ILE H H 59 7.051 7.706 -0.655 1
1 235 . 7 1 1 A 59 59 ILE HA H 59 3.829 4.387 -0.558 1
1 245 . 7 1 1 A 59 59 ILE CA C 59 57.557 57.764 -0.207 1
1 246 . 7 1 1 A 59 59 ILE CB C 59 36.090 38.231 -2.141 1
1 250 . 7 1 1 A 59 59 ILE N N 59 121.926 120.266 1.660 1
1 251 . 7 1 1 A 60 60 PRO HA H 60 4.049 4.369 -0.320 1
1 258 . 7 1 1 A 60 60 PRO CA C 60 63.775 64.228 -0.453 1
1 259 . 7 1 1 A 60 60 PRO CB C 60 32.050 31.989 0.061 1
1 262 . 7 1 1 A 61 61 GLN H H 61 8.772 7.981 0.791 1
1 263 . 7 1 1 A 61 61 GLN HA H 61 3.772 4.561 -0.789 1
1 270 . 7 1 1 A 61 61 GLN C C 61 178.654 176.441 2.213 1
1 271 . 7 1 1 A 61 61 GLN CA C 61 58.761 56.000 2.761 1
1 272 . 7 1 1 A 61 61 GLN CB C 61 28.318 31.408 -3.090 1
1 274 . 7 1 1 A 61 61 GLN N N 61 126.284 115.953 10.331 1
1 276 . 7 1 1 A 62 62 GLU H H 62 9.471 8.250 1.221 1
1 277 . 7 1 1 A 62 62 GLU HA H 62 3.971 3.978 -0.007 1
1 282 . 7 1 1 A 62 62 GLU C C 62 177.376 177.795 -0.419 1
1 283 . 7 1 1 A 62 62 GLU CA C 62 58.072 58.962 -0.890 1
1 284 . 7 1 1 A 62 62 GLU CB C 62 28.164 29.368 -1.204 1
1 286 . 7 1 1 A 62 62 GLU N N 62 118.102 120.367 -2.265 1
1 287 . 7 1 1 A 63 63 LEU H H 63 6.792 7.469 -0.677 1
1 288 . 7 1 1 A 63 63 LEU HA H 63 3.717 3.886 -0.169 1
1 298 . 7 1 1 A 63 63 LEU C C 63 176.570 175.940 0.630 1
1 299 . 7 1 1 A 63 63 LEU CA C 63 56.173 54.417 1.756 1
1 300 . 7 1 1 A 63 63 LEU CB C 63 39.610 41.906 -2.296 1
1 304 . 7 1 1 A 63 63 LEU N N 63 118.573 118.041 0.532 1
1 305 . 7 1 1 A 64 64 GLU H H 64 7.589 7.769 -0.180 1
1 306 . 7 1 1 A 64 64 GLU HA H 64 3.782 3.939 -0.157 1
1 311 . 7 1 1 A 64 64 GLU C C 64 176.723 175.538 1.185 1
1 312 . 7 1 1 A 64 64 GLU CA C 64 57.031 57.665 -0.634 1
1 313 . 7 1 1 A 64 64 GLU CB C 64 26.951 27.457 -0.506 1
1 315 . 7 1 1 A 64 64 GLU N N 64 112.960 116.029 -3.069 1
1 316 . 7 1 1 A 65 65 TRP H H 65 8.340 7.681 0.659 1
1 317 . 7 1 1 A 65 65 TRP HA H 65 5.097 4.618 0.479 1
1 323 . 7 1 1 A 65 65 TRP CA C 65 54.697 57.504 -2.807 1
1 324 . 7 1 1 A 65 65 TRP CB C 65 30.450 30.498 -0.048 1
1 325 . 7 1 1 A 65 65 TRP N N 65 119.866 121.322 -1.456 1
1 327 . 7 1 1 A 66 66 SER HA H 66 4.700 4.771 -0.071 1
1 330 . 7 1 1 A 66 66 SER CA C 66 56.340 57.847 -1.507 1
1 331 . 7 1 1 A 66 66 SER CB C 66 66.184 64.762 1.422 1
1 332 . 7 1 1 A 67 67 LEU H H 67 8.622 8.693 -0.071 1
1 333 . 7 1 1 A 67 67 LEU HA H 67 3.357 3.636 -0.279 1
1 343 . 7 1 1 A 67 67 LEU C C 67 178.779 178.448 0.331 1
1 344 . 7 1 1 A 67 67 LEU CA C 67 58.385 58.196 0.189 1
1 345 . 7 1 1 A 67 67 LEU CB C 67 41.218 41.035 0.183 1
1 349 . 7 1 1 A 67 67 LEU N N 67 123.216 122.930 0.286 1
1 350 . 7 1 1 A 68 68 ALA H H 68 7.987 8.091 -0.104 1
1 351 . 7 1 1 A 68 68 ALA HA H 68 3.766 3.973 -0.207 1
1 355 . 7 1 1 A 68 68 ALA C C 68 180.626 179.946 0.680 1
1 356 . 7 1 1 A 68 68 ALA CA C 68 55.431 54.862 0.569 1
1 357 . 7 1 1 A 68 68 ALA CB C 68 17.780 17.976 -0.196 1
1 358 . 7 1 1 A 68 68 ALA N N 68 119.912 120.384 -0.472 1
1 359 . 7 1 1 A 69 69 THR H H 69 7.781 7.870 -0.089 1
1 360 . 7 1 1 A 69 69 THR HA H 69 3.477 3.708 -0.231 1
1 365 . 7 1 1 A 69 69 THR C C 69 176.154 175.889 0.265 1
1 366 . 7 1 1 A 69 69 THR CA C 69 66.975 66.799 0.176 1
1 367 . 7 1 1 A 69 69 THR CB C 69 68.525 68.504 0.021 1
1 369 . 7 1 1 A 69 69 THR N N 69 118.256 114.942 3.314 1
1 370 . 7 1 1 A 70 70 VAL H H 70 7.373 8.287 -0.914 1
1 371 . 7 1 1 A 70 70 VAL HA H 70 3.201 3.668 -0.467 1
1 379 . 7 1 1 A 70 70 VAL C C 70 177.265 177.870 -0.605 1
1 380 . 7 1 1 A 70 70 VAL CA C 70 67.795 65.282 2.513 1
1 381 . 7 1 1 A 70 70 VAL CB C 70 31.342 31.287 0.055 1
1 384 . 7 1 1 A 70 70 VAL N N 70 120.502 120.557 -0.055 1
1 385 . 7 1 1 A 71 71 LYS H H 71 8.521 7.222 1.299 1
1 386 . 7 1 1 A 71 71 LYS HA H 71 3.659 3.864 -0.205 1
1 395 . 7 1 1 A 71 71 LYS C C 71 180.154 179.374 0.780 1
1 396 . 7 1 1 A 71 71 LYS CA C 71 61.155 59.443 1.712 1
1 397 . 7 1 1 A 71 71 LYS CB C 71 32.114 32.214 -0.100 1
1 401 . 7 1 1 A 71 71 LYS N N 71 118.966 122.512 -3.546 1
1 402 . 7 1 1 A 72 72 THR H H 72 8.160 7.485 0.675 1
1 403 . 7 1 1 A 72 72 THR HA H 72 3.747 4.026 -0.279 1
1 408 . 7 1 1 A 72 72 THR C C 72 177.209 176.698 0.511 1
1 409 . 7 1 1 A 72 72 THR CA C 72 66.978 65.389 1.589 1
1 410 . 7 1 1 A 72 72 THR CB C 72 68.268 68.784 -0.516 1
1 412 . 7 1 1 A 72 72 THR N N 72 119.017 114.245 4.772 1
1 413 . 7 1 1 A 73 73 LEU H H 73 7.753 8.225 -0.472 1
1 414 . 7 1 1 A 73 73 LEU HA H 73 3.682 4.080 -0.398 1
1 424 . 7 1 1 A 73 73 LEU C C 73 178.821 178.602 0.219 1
1 425 . 7 1 1 A 73 73 LEU CA C 73 58.671 57.997 0.674 1
1 426 . 7 1 1 A 73 73 LEU CB C 73 42.182 41.394 0.788 1
1 430 . 7 1 1 A 73 73 LEU N N 73 123.340 122.648 0.692 1
1 431 . 7 1 1 A 74 74 LEU H H 74 8.341 8.595 -0.254 1
1 432 . 7 1 1 A 74 74 LEU HA H 74 3.551 3.936 -0.385 1
1 442 . 7 1 1 A 74 74 LEU C C 74 178.832 179.466 -0.634 1
1 443 . 7 1 1 A 74 74 LEU CA C 74 58.293 58.429 -0.136 1
1 444 . 7 1 1 A 74 74 LEU CB C 74 40.530 41.308 -0.778 1
1 448 . 7 1 1 A 74 74 LEU N N 74 118.538 118.987 -0.449 1
1 449 . 7 1 1 A 75 75 GLY H H 75 7.780 7.872 -0.092 1
1 450 . 7 1 1 A 75 75 GLY HA2 H 75 3.648 3.938 -0.290 1
1 451 . 7 1 1 A 75 75 GLY HA3 H 75 3.767 3.972 -0.205 1
1 452 . 7 1 1 A 75 75 GLY C C 75 177.626 176.538 1.088 1
1 453 . 7 1 1 A 75 75 GLY CA C 75 47.290 46.839 0.451 1
1 454 . 7 1 1 A 75 75 GLY N N 75 103.878 104.992 -1.114 1
1 455 . 7 1 1 A 76 76 ARG H H 76 7.637 8.112 -0.475 1
1 456 . 7 1 1 A 76 76 ARG HA H 76 3.908 4.058 -0.150 1
1 463 . 7 1 1 A 76 76 ARG C C 76 179.001 178.531 0.470 1
1 464 . 7 1 1 A 76 76 ARG CA C 76 59.378 59.122 0.256 1
1 465 . 7 1 1 A 76 76 ARG CB C 76 30.767 30.441 0.326 1
1 468 . 7 1 1 A 76 76 ARG N N 76 122.469 122.498 -0.029 1
1 469 . 7 1 1 A 77 77 LEU H H 77 7.922 8.113 -0.191 1
1 470 . 7 1 1 A 77 77 LEU HA H 77 3.812 4.185 -0.373 1
1 480 . 7 1 1 A 77 77 LEU C C 77 179.835 179.900 -0.065 1
1 481 . 7 1 1 A 77 77 LEU CA C 77 58.306 58.178 0.128 1
1 482 . 7 1 1 A 77 77 LEU CB C 77 42.365 41.696 0.669 1
1 486 . 7 1 1 A 77 77 LEU N N 77 120.640 120.242 0.398 1
1 487 . 7 1 1 A 78 78 VAL H H 78 8.287 8.274 0.013 1
1 488 . 7 1 1 A 78 78 VAL HA H 78 3.950 4.171 -0.221 1
1 496 . 7 1 1 A 78 78 VAL C C 78 181.099 178.211 2.888 1
1 497 . 7 1 1 A 78 78 VAL CA C 78 66.044 65.735 0.309 1
1 498 . 7 1 1 A 78 78 VAL CB C 78 32.287 31.522 0.765 1
1 501 . 7 1 1 A 78 78 VAL N N 78 121.179 113.852 7.327 1
1 502 . 7 1 1 A 79 79 LYS H H 79 7.836 7.833 0.003 1
1 503 . 7 1 1 A 79 79 LYS HA H 79 4.004 4.181 -0.177 1
1 512 . 7 1 1 A 79 79 LYS CA C 79 59.189 58.575 0.614 1
1 513 . 7 1 1 A 79 79 LYS CB C 79 29.238 32.467 -3.229 1
1 517 . 7 1 1 A 79 79 LYS N N 79 123.239 121.246 1.993 1
1 518 . 7 1 1 A 80 80 LYS HA H 80 4.179 4.509 -0.330 1
1 521 . 7 1 1 A 80 80 LYS CA C 80 57.269 55.371 1.898 1
1 522 . 7 1 1 A 80 80 LYS CB C 80 31.067 32.476 -1.409 1
1 523 . 7 1 1 A 81 81 GLU H H 81 7.801 7.793 0.008 1
1 524 . 7 1 1 A 81 81 GLU HA H 81 4.513 4.027 0.486 1
1 527 . 7 1 1 A 81 81 GLU CA C 81 57.915 57.465 0.450 1
1 528 . 7 1 1 A 81 81 GLU CB C 81 26.150 26.800 -0.650 1
1 529 . 7 1 1 A 81 81 GLU N N 81 126.946 115.361 11.585 1
1 530 . 7 1 1 A 82 82 MET H H 82 7.978 7.947 0.031 1
1 531 . 7 1 1 A 82 82 MET HA H 82 3.781 4.463 -0.682 1
1 536 . 7 1 1 A 82 82 MET C C 82 176.695 175.300 1.395 1
1 537 . 7 1 1 A 82 82 MET CA C 82 57.599 57.908 -0.309 1
1 538 . 7 1 1 A 82 82 MET CB C 82 33.067 34.571 -1.504 1
1 540 . 7 1 1 A 82 82 MET N N 82 112.370 117.609 -5.239 1
1 541 . 7 1 1 A 83 83 LEU H H 83 6.928 7.710 -0.782 1
1 542 . 7 1 1 A 83 83 LEU HA H 83 5.042 5.043 -0.001 1
1 548 . 7 1 1 A 83 83 LEU C C 83 175.376 175.299 0.077 1
1 549 . 7 1 1 A 83 83 LEU CA C 83 52.193 53.772 -1.579 1
1 550 . 7 1 1 A 83 83 LEU CB C 83 48.040 46.691 1.349 1
1 553 . 7 1 1 A 83 83 LEU N N 83 116.646 117.818 -1.172 1
1 554 . 7 1 1 A 84 84 SER H H 84 9.089 8.650 0.439 1
1 555 . 7 1 1 A 84 84 SER HA H 84 4.711 5.440 -0.729 1
1 558 . 7 1 1 A 84 84 SER C C 84 173.496 173.059 0.437 1
1 559 . 7 1 1 A 84 84 SER CA C 84 56.311 57.478 -1.167 1
1 560 . 7 1 1 A 84 84 SER CB C 84 65.943 66.880 -0.937 1
1 561 . 7 1 1 A 84 84 SER N N 84 115.366 118.639 -3.273 1
1 562 . 7 1 1 A 85 85 THR H H 85 8.091 8.704 -0.613 1
1 563 . 7 1 1 A 85 85 THR HA H 85 5.036 5.249 -0.213 1
1 568 . 7 1 1 A 85 85 THR C C 85 173.844 171.933 1.911 1
1 569 . 7 1 1 A 85 85 THR CA C 85 58.919 59.806 -0.887 1
1 570 . 7 1 1 A 85 85 THR CB C 85 71.518 71.142 0.376 1
1 572 . 7 1 1 A 85 85 THR N N 85 110.842 115.487 -4.645 1
1 573 . 7 1 1 A 86 86 GLU H H 86 8.128 8.975 -0.847 1
1 574 . 7 1 1 A 86 86 GLU HA H 86 4.413 5.070 -0.657 1
1 578 . 7 1 1 A 86 86 GLU C C 86 174.693 174.620 0.073 1
1 579 . 7 1 1 A 86 86 GLU CA C 86 54.405 54.593 -0.188 1
1 580 . 7 1 1 A 86 86 GLU CB C 86 33.099 33.572 -0.473 1
1 582 . 7 1 1 A 86 86 GLU N N 86 122.318 127.317 -4.999 1
1 583 . 7 1 1 A 87 87 LYS H H 87 8.622 8.299 0.323 1
1 584 . 7 1 1 A 87 87 LYS HA H 87 4.153 3.597 0.556 1
1 593 . 7 1 1 A 87 87 LYS C C 87 175.909 174.757 1.152 1
1 594 . 7 1 1 A 87 87 LYS CA C 87 56.403 55.865 0.538 1
1 595 . 7 1 1 A 87 87 LYS CB C 87 32.960 32.992 -0.032 1
1 599 . 7 1 1 A 87 87 LYS N N 87 124.854 122.807 2.047 1
1 600 . 7 1 1 A 88 88 GLU HA H 88 4.276 4.489 -0.213 1
1 604 . 7 1 1 A 88 88 GLU C C 88 175.998 176.613 -0.615 1
1 605 . 7 1 1 A 88 88 GLU CA C 88 55.362 55.130 0.232 1
1 606 . 7 1 1 A 88 88 GLU CB C 88 30.945 31.538 -0.593 1
1 608 . 7 1 1 A 91 91 LYS H H 91 7.651 7.569 0.082 1
1 609 . 7 1 1 A 91 91 LYS HA H 91 4.456 4.813 -0.357 1
1 616 . 7 1 1 A 91 91 LYS C C 91 174.960 174.296 0.664 1
1 617 . 7 1 1 A 91 91 LYS CA C 91 54.992 54.888 0.104 1
1 618 . 7 1 1 A 91 91 LYS CB C 91 34.855 36.137 -1.282 1
1 622 . 7 1 1 A 91 91 LYS N N 91 119.096 120.729 -1.633 1
1 623 . 7 1 1 A 92 92 PHE H H 92 7.904 8.692 -0.788 1
1 624 . 7 1 1 A 92 92 PHE HA H 92 4.772 5.222 -0.450 1
1 631 . 7 1 1 A 92 92 PHE C C 92 175.183 174.818 0.365 1
1 632 . 7 1 1 A 92 92 PHE CA C 92 57.762 56.599 1.163 1
1 633 . 7 1 1 A 92 92 PHE CB C 92 40.747 42.826 -2.079 1
1 634 . 7 1 1 A 92 92 PHE N N 92 118.936 119.864 -0.928 1
1 635 . 7 1 1 A 93 93 VAL H H 93 8.626 9.474 -0.848 1
1 636 . 7 1 1 A 93 93 VAL HA H 93 4.090 4.968 -0.878 1
1 644 . 7 1 1 A 93 93 VAL C C 93 174.856 174.643 0.213 1
1 645 . 7 1 1 A 93 93 VAL CA C 93 61.228 61.593 -0.365 1
1 646 . 7 1 1 A 93 93 VAL CB C 93 33.595 33.153 0.442 1
1 648 . 7 1 1 A 93 93 VAL N N 93 120.649 121.407 -0.758 1
1 649 . 7 1 1 A 94 94 TYR H H 94 8.950 9.598 -0.648 1
1 650 . 7 1 1 A 94 94 TYR HA H 94 5.029 5.369 -0.340 1
1 657 . 7 1 1 A 94 94 TYR C C 94 175.242 175.845 -0.603 1
1 658 . 7 1 1 A 94 94 TYR CA C 94 57.619 57.368 0.251 1
1 659 . 7 1 1 A 94 94 TYR CB C 94 41.447 39.528 1.919 1
1 660 . 7 1 1 A 94 94 TYR N N 94 125.589 126.925 -1.336 1
1 661 . 7 1 1 A 95 95 ARG H H 95 8.275 9.082 -0.807 1
1 662 . 7 1 1 A 95 95 ARG HA H 95 5.001 5.010 -0.009 1
1 665 . 7 1 1 A 95 95 ARG CA C 95 53.055 53.628 -0.573 1
1 666 . 7 1 1 A 95 95 ARG N N 95 118.094 120.543 -2.449 1
1 670 . 7 1 1 A 96 96 PRO CA C 96 63.815 62.637 1.178 1
1 671 . 7 1 1 A 96 96 PRO CB C 96 33.778 29.068 4.710 1
1 673 . 7 1 1 A 97 97 LEU H H 97 7.862 8.080 -0.218 1
1 674 . 7 1 1 A 97 97 LEU HA H 97 4.054 4.560 -0.506 1
1 684 . 7 1 1 A 97 97 LEU CA C 97 55.208 54.162 1.046 1
1 685 . 7 1 1 A 97 97 LEU CB C 97 42.072 43.219 -1.147 1
1 1 . 8 1 1 A 36 36 ALA HA H 36 4.250 4.193 0.057 1
1 5 . 8 1 1 A 36 36 ALA CA C 36 55.550 55.306 0.244 1
1 6 . 8 1 1 A 36 36 ALA CB C 36 19.203 18.097 1.106 1
1 7 . 8 1 1 A 39 39 ILE HA H 39 4.250 3.587 0.663 1
1 17 . 8 1 1 A 39 39 ILE CA C 39 58.724 65.129 -6.405 1
1 18 . 8 1 1 A 39 39 ILE CB C 39 38.496 37.554 0.942 1
1 22 . 8 1 1 A 40 40 VAL HA H 40 3.198 3.870 -0.672 1
1 30 . 8 1 1 A 40 40 VAL CA C 40 67.086 65.401 1.685 1
1 31 . 8 1 1 A 40 40 VAL CB C 40 30.969 31.504 -0.535 1
1 34 . 8 1 1 A 42 42 ARG HA H 42 3.770 4.119 -0.349 1
1 35 . 8 1 1 A 42 42 ARG CA C 42 55.107 58.710 -3.603 1
1 36 . 8 1 1 A 43 43 VAL H H 43 7.364 7.858 -0.494 1
1 37 . 8 1 1 A 43 43 VAL HA H 43 3.506 3.856 -0.350 1
1 45 . 8 1 1 A 43 43 VAL C C 43 178.600 178.547 0.053 1
1 46 . 8 1 1 A 43 43 VAL CA C 43 66.598 65.460 1.138 1
1 47 . 8 1 1 A 43 43 VAL CB C 43 31.203 31.544 -0.341 1
1 50 . 8 1 1 A 43 43 VAL N N 43 119.765 118.017 1.748 1
1 51 . 8 1 1 A 44 44 ILE H H 44 7.829 8.069 -0.240 1
1 52 . 8 1 1 A 44 44 ILE HA H 44 3.242 3.760 -0.518 1
1 62 . 8 1 1 A 44 44 ILE C C 44 178.289 178.436 -0.147 1
1 63 . 8 1 1 A 44 44 ILE CA C 44 66.146 64.823 1.323 1
1 64 . 8 1 1 A 44 44 ILE CB C 44 36.869 37.417 -0.548 1
1 68 . 8 1 1 A 44 44 ILE N N 44 120.991 121.716 -0.725 1
1 69 . 8 1 1 A 45 45 TRP H H 45 9.154 8.205 0.949 1
1 70 . 8 1 1 A 45 45 TRP HA H 45 4.377 4.170 0.207 1
1 77 . 8 1 1 A 45 45 TRP C C 45 179.154 178.759 0.395 1
1 78 . 8 1 1 A 45 45 TRP CA C 45 60.749 61.360 -0.611 1
1 79 . 8 1 1 A 45 45 TRP CB C 45 28.620 29.858 -1.238 1
1 80 . 8 1 1 A 45 45 TRP N N 45 119.877 122.802 -2.925 1
1 82 . 8 1 1 A 46 46 SER H H 46 7.556 7.847 -0.291 1
1 83 . 8 1 1 A 46 46 SER HA H 46 4.247 4.338 -0.091 1
1 86 . 8 1 1 A 46 46 SER C C 46 175.737 177.118 -1.381 1
1 87 . 8 1 1 A 46 46 SER CA C 46 61.315 61.188 0.127 1
1 88 . 8 1 1 A 46 46 SER CB C 46 63.510 62.880 0.630 1
1 89 . 8 1 1 A 46 46 SER N N 46 113.170 114.493 -1.323 1
1 90 . 8 1 1 A 47 47 LEU H H 47 7.667 7.627 0.040 1
1 91 . 8 1 1 A 47 47 LEU HA H 47 4.274 4.169 0.105 1
1 101 . 8 1 1 A 47 47 LEU C C 47 178.987 176.920 2.067 1
1 102 . 8 1 1 A 47 47 LEU CA C 47 55.835 56.696 -0.861 1
1 103 . 8 1 1 A 47 47 LEU CB C 47 43.548 43.127 0.421 1
1 107 . 8 1 1 A 47 47 LEU N N 47 120.838 122.007 -1.169 1
1 108 . 8 1 1 A 48 48 GLY H H 48 8.656 7.821 0.835 1
1 109 . 8 1 1 A 48 48 GLY HA2 H 48 4.373 3.899 0.474 1
1 110 . 8 1 1 A 48 48 GLY HA3 H 48 3.296 3.961 -0.665 1
1 111 . 8 1 1 A 48 48 GLY C C 48 173.625 173.332 0.293 1
1 112 . 8 1 1 A 48 48 GLY CA C 48 46.944 45.599 1.345 1
1 113 . 8 1 1 A 48 48 GLY N N 48 113.217 106.961 6.256 1
1 114 . 8 1 1 A 49 49 GLU H H 49 7.347 8.040 -0.693 1
1 115 . 8 1 1 A 49 49 GLU HA H 49 4.830 5.004 -0.174 1
1 120 . 8 1 1 A 49 49 GLU C C 49 174.973 174.434 0.539 1
1 121 . 8 1 1 A 49 49 GLU CA C 49 55.026 54.675 0.351 1
1 122 . 8 1 1 A 49 49 GLU CB C 49 31.947 32.738 -0.791 1
1 124 . 8 1 1 A 49 49 GLU N N 49 116.219 116.943 -0.724 1
1 125 . 8 1 1 A 50 50 ALA H H 50 8.598 8.571 0.027 1
1 126 . 8 1 1 A 50 50 ALA HA H 50 4.817 5.203 -0.386 1
1 130 . 8 1 1 A 50 50 ALA C C 50 176.042 176.258 -0.216 1
1 131 . 8 1 1 A 50 50 ALA CA C 50 52.189 50.627 1.562 1
1 132 . 8 1 1 A 50 50 ALA CB C 50 24.738 23.171 1.567 1
1 133 . 8 1 1 A 50 50 ALA N N 50 122.121 121.506 0.615 1
1 134 . 8 1 1 A 51 51 ARG H H 51 8.935 8.825 0.110 1
1 135 . 8 1 1 A 51 51 ARG HA H 51 5.098 4.867 0.231 1
1 142 . 8 1 1 A 51 51 ARG C C 51 178.696 177.737 0.959 1
1 143 . 8 1 1 A 51 51 ARG CA C 51 54.995 55.778 -0.783 1
1 144 . 8 1 1 A 51 51 ARG CB C 51 32.605 31.128 1.477 1
1 147 . 8 1 1 A 51 51 ARG N N 51 121.019 121.116 -0.097 1
1 148 . 8 1 1 A 52 52 VAL H H 52 9.767 8.380 1.387 1
1 149 . 8 1 1 A 52 52 VAL HA H 52 3.494 3.946 -0.452 1
1 157 . 8 1 1 A 52 52 VAL C C 52 176.292 177.076 -0.784 1
1 158 . 8 1 1 A 52 52 VAL CA C 52 67.295 65.242 2.053 1
1 159 . 8 1 1 A 52 52 VAL CB C 52 31.427 31.885 -0.458 1
1 162 . 8 1 1 A 52 52 VAL N N 52 121.483 123.896 -2.413 1
1 163 . 8 1 1 A 53 53 ASP H H 53 8.640 8.200 0.440 1
1 164 . 8 1 1 A 53 53 ASP HA H 53 4.199 4.559 -0.360 1
1 167 . 8 1 1 A 53 53 ASP C C 53 178.904 178.546 0.358 1
1 168 . 8 1 1 A 53 53 ASP CA C 53 56.797 56.659 0.138 1
1 169 . 8 1 1 A 53 53 ASP CB C 53 39.068 41.059 -1.991 1
1 170 . 8 1 1 A 53 53 ASP N N 53 116.987 120.884 -3.897 1
1 171 . 8 1 1 A 54 54 GLU H H 54 7.028 7.908 -0.880 1
1 172 . 8 1 1 A 54 54 GLU HA H 54 4.017 4.147 -0.130 1
1 176 . 8 1 1 A 54 54 GLU C C 54 178.696 179.224 -0.528 1
1 177 . 8 1 1 A 54 54 GLU CA C 54 58.261 58.656 -0.395 1
1 178 . 8 1 1 A 54 54 GLU CB C 54 30.742 29.724 1.018 1
1 180 . 8 1 1 A 54 54 GLU N N 54 119.862 118.589 1.273 1
1 181 . 8 1 1 A 55 55 ILE H H 55 7.639 7.957 -0.318 1
1 182 . 8 1 1 A 55 55 ILE HA H 55 3.345 3.815 -0.470 1
1 192 . 8 1 1 A 55 55 ILE C C 55 177.945 177.694 0.251 1
1 193 . 8 1 1 A 55 55 ILE CA C 55 64.533 64.483 0.050 1
1 194 . 8 1 1 A 55 55 ILE CB C 55 38.824 37.632 1.192 1
1 198 . 8 1 1 A 55 55 ILE N N 55 118.743 119.879 -1.136 1
1 199 . 8 1 1 A 56 56 TYR H H 56 8.548 8.173 0.375 1
1 200 . 8 1 1 A 56 56 TYR HA H 56 4.028 4.128 -0.100 1
1 207 . 8 1 1 A 56 56 TYR C C 56 177.279 178.158 -0.879 1
1 208 . 8 1 1 A 56 56 TYR CA C 56 61.046 62.324 -1.278 1
1 209 . 8 1 1 A 56 56 TYR CB C 56 38.746 38.652 0.094 1
1 210 . 8 1 1 A 56 56 TYR N N 56 117.394 124.209 -6.815 1
1 211 . 8 1 1 A 57 57 ALA H H 57 7.305 8.145 -0.840 1
1 212 . 8 1 1 A 57 57 ALA HA H 57 3.891 3.942 -0.051 1
1 216 . 8 1 1 A 57 57 ALA C C 57 178.515 178.424 0.091 1
1 217 . 8 1 1 A 57 57 ALA CA C 57 53.867 54.181 -0.314 1
1 218 . 8 1 1 A 57 57 ALA CB C 57 18.567 18.242 0.325 1
1 219 . 8 1 1 A 57 57 ALA N N 57 116.845 121.298 -4.453 1
1 220 . 8 1 1 A 58 58 GLN H H 58 7.182 7.560 -0.378 1
1 221 . 8 1 1 A 58 58 GLN HA H 58 4.182 4.321 -0.139 1
1 228 . 8 1 1 A 58 58 GLN C C 58 176.015 174.450 1.565 1
1 229 . 8 1 1 A 58 58 GLN CA C 58 54.679 55.778 -1.099 1
1 230 . 8 1 1 A 58 58 GLN CB C 58 29.584 29.455 0.129 1
1 232 . 8 1 1 A 58 58 GLN N N 58 113.228 114.294 -1.066 1
1 234 . 8 1 1 A 59 59 ILE H H 59 7.051 7.445 -0.394 1
1 235 . 8 1 1 A 59 59 ILE HA H 59 3.829 4.261 -0.432 1
1 245 . 8 1 1 A 59 59 ILE CA C 59 57.557 57.966 -0.409 1
1 246 . 8 1 1 A 59 59 ILE CB C 59 36.090 38.593 -2.503 1
1 250 . 8 1 1 A 59 59 ILE N N 59 121.926 120.663 1.263 1
1 251 . 8 1 1 A 60 60 PRO HA H 60 4.049 4.527 -0.478 1
1 258 . 8 1 1 A 60 60 PRO CA C 60 63.775 62.377 1.398 1
1 259 . 8 1 1 A 60 60 PRO CB C 60 32.050 32.602 -0.552 1
1 262 . 8 1 1 A 61 61 GLN H H 61 8.772 8.529 0.243 1
1 263 . 8 1 1 A 61 61 GLN HA H 61 3.772 3.947 -0.175 1
1 270 . 8 1 1 A 61 61 GLN C C 61 178.654 178.054 0.600 1
1 271 . 8 1 1 A 61 61 GLN CA C 61 58.761 58.391 0.370 1
1 272 . 8 1 1 A 61 61 GLN CB C 61 28.318 28.006 0.312 1
1 274 . 8 1 1 A 61 61 GLN N N 61 126.284 121.854 4.430 1
1 276 . 8 1 1 A 62 62 GLU H H 62 9.471 7.933 1.538 1
1 277 . 8 1 1 A 62 62 GLU HA H 62 3.971 4.004 -0.033 1
1 282 . 8 1 1 A 62 62 GLU C C 62 177.376 177.912 -0.536 1
1 283 . 8 1 1 A 62 62 GLU CA C 62 58.072 58.754 -0.682 1
1 284 . 8 1 1 A 62 62 GLU CB C 62 28.164 29.524 -1.360 1
1 286 . 8 1 1 A 62 62 GLU N N 62 118.102 120.010 -1.908 1
1 287 . 8 1 1 A 63 63 LEU H H 63 6.792 7.464 -0.672 1
1 288 . 8 1 1 A 63 63 LEU HA H 63 3.717 4.081 -0.364 1
1 298 . 8 1 1 A 63 63 LEU C C 63 176.570 176.024 0.546 1
1 299 . 8 1 1 A 63 63 LEU CA C 63 56.173 54.702 1.471 1
1 300 . 8 1 1 A 63 63 LEU CB C 63 39.610 41.834 -2.224 1
1 304 . 8 1 1 A 63 63 LEU N N 63 118.573 117.973 0.600 1
1 305 . 8 1 1 A 64 64 GLU H H 64 7.589 7.817 -0.228 1
1 306 . 8 1 1 A 64 64 GLU HA H 64 3.782 3.906 -0.124 1
1 311 . 8 1 1 A 64 64 GLU C C 64 176.723 175.179 1.544 1
1 312 . 8 1 1 A 64 64 GLU CA C 64 57.031 57.524 -0.493 1
1 313 . 8 1 1 A 64 64 GLU CB C 64 26.951 27.142 -0.191 1
1 315 . 8 1 1 A 64 64 GLU N N 64 112.960 116.129 -3.169 1
1 316 . 8 1 1 A 65 65 TRP H H 65 8.340 7.816 0.524 1
1 317 . 8 1 1 A 65 65 TRP HA H 65 5.097 4.844 0.253 1
1 323 . 8 1 1 A 65 65 TRP CA C 65 54.697 56.148 -1.451 1
1 324 . 8 1 1 A 65 65 TRP CB C 65 30.450 31.003 -0.553 1
1 325 . 8 1 1 A 65 65 TRP N N 65 119.866 121.825 -1.959 1
1 327 . 8 1 1 A 66 66 SER HA H 66 4.700 4.570 0.130 1
1 330 . 8 1 1 A 66 66 SER CA C 66 56.340 59.128 -2.788 1
1 331 . 8 1 1 A 66 66 SER CB C 66 66.184 63.661 2.523 1
1 332 . 8 1 1 A 67 67 LEU H H 67 8.622 8.632 -0.010 1
1 333 . 8 1 1 A 67 67 LEU HA H 67 3.357 3.480 -0.123 1
1 343 . 8 1 1 A 67 67 LEU C C 67 178.779 178.412 0.367 1
1 344 . 8 1 1 A 67 67 LEU CA C 67 58.385 57.829 0.556 1
1 345 . 8 1 1 A 67 67 LEU CB C 67 41.218 41.183 0.035 1
1 349 . 8 1 1 A 67 67 LEU N N 67 123.216 127.413 -4.197 1
1 350 . 8 1 1 A 68 68 ALA H H 68 7.987 8.095 -0.108 1
1 351 . 8 1 1 A 68 68 ALA HA H 68 3.766 3.950 -0.184 1
1 355 . 8 1 1 A 68 68 ALA C C 68 180.626 179.621 1.005 1
1 356 . 8 1 1 A 68 68 ALA CA C 68 55.431 55.230 0.201 1
1 357 . 8 1 1 A 68 68 ALA CB C 68 17.780 18.286 -0.506 1
1 358 . 8 1 1 A 68 68 ALA N N 68 119.912 121.331 -1.419 1
1 359 . 8 1 1 A 69 69 THR H H 69 7.781 7.882 -0.101 1
1 360 . 8 1 1 A 69 69 THR HA H 69 3.477 3.821 -0.344 1
1 365 . 8 1 1 A 69 69 THR C C 69 176.154 175.892 0.262 1
1 366 . 8 1 1 A 69 69 THR CA C 69 66.975 66.708 0.267 1
1 367 . 8 1 1 A 69 69 THR CB C 69 68.525 67.684 0.841 1
1 369 . 8 1 1 A 69 69 THR N N 69 118.256 114.920 3.336 1
1 370 . 8 1 1 A 70 70 VAL H H 70 7.373 8.156 -0.783 1
1 371 . 8 1 1 A 70 70 VAL HA H 70 3.201 3.695 -0.494 1
1 379 . 8 1 1 A 70 70 VAL C C 70 177.265 177.797 -0.532 1
1 380 . 8 1 1 A 70 70 VAL CA C 70 67.795 65.261 2.534 1
1 381 . 8 1 1 A 70 70 VAL CB C 70 31.342 31.200 0.142 1
1 384 . 8 1 1 A 70 70 VAL N N 70 120.502 120.406 0.096 1
1 385 . 8 1 1 A 71 71 LYS H H 71 8.521 7.519 1.002 1
1 386 . 8 1 1 A 71 71 LYS HA H 71 3.659 3.958 -0.299 1
1 395 . 8 1 1 A 71 71 LYS C C 71 180.154 179.175 0.979 1
1 396 . 8 1 1 A 71 71 LYS CA C 71 61.155 59.206 1.949 1
1 397 . 8 1 1 A 71 71 LYS CB C 71 32.114 32.311 -0.197 1
1 401 . 8 1 1 A 71 71 LYS N N 71 118.966 122.632 -3.666 1
1 402 . 8 1 1 A 72 72 THR H H 72 8.160 7.610 0.550 1
1 403 . 8 1 1 A 72 72 THR HA H 72 3.747 3.946 -0.199 1
1 408 . 8 1 1 A 72 72 THR C C 72 177.209 176.451 0.758 1
1 409 . 8 1 1 A 72 72 THR CA C 72 66.978 65.685 1.293 1
1 410 . 8 1 1 A 72 72 THR CB C 72 68.268 68.584 -0.316 1
1 412 . 8 1 1 A 72 72 THR N N 72 119.017 113.679 5.338 1
1 413 . 8 1 1 A 73 73 LEU H H 73 7.753 7.680 0.073 1
1 414 . 8 1 1 A 73 73 LEU HA H 73 3.682 4.131 -0.449 1
1 424 . 8 1 1 A 73 73 LEU C C 73 178.821 178.469 0.352 1
1 425 . 8 1 1 A 73 73 LEU CA C 73 58.671 57.997 0.674 1
1 426 . 8 1 1 A 73 73 LEU CB C 73 42.182 41.540 0.642 1
1 430 . 8 1 1 A 73 73 LEU N N 73 123.340 124.249 -0.909 1
1 431 . 8 1 1 A 74 74 LEU H H 74 8.341 8.694 -0.353 1
1 432 . 8 1 1 A 74 74 LEU HA H 74 3.551 3.939 -0.388 1
1 442 . 8 1 1 A 74 74 LEU C C 74 178.832 179.376 -0.544 1
1 443 . 8 1 1 A 74 74 LEU CA C 74 58.293 58.452 -0.159 1
1 444 . 8 1 1 A 74 74 LEU CB C 74 40.530 41.164 -0.634 1
1 448 . 8 1 1 A 74 74 LEU N N 74 118.538 119.363 -0.825 1
1 449 . 8 1 1 A 75 75 GLY H H 75 7.780 8.098 -0.318 1
1 450 . 8 1 1 A 75 75 GLY HA2 H 75 3.648 3.919 -0.271 1
1 451 . 8 1 1 A 75 75 GLY HA3 H 75 3.767 3.956 -0.189 1
1 452 . 8 1 1 A 75 75 GLY C C 75 177.626 176.584 1.042 1
1 453 . 8 1 1 A 75 75 GLY CA C 75 47.290 47.018 0.272 1
1 454 . 8 1 1 A 75 75 GLY N N 75 103.878 105.032 -1.154 1
1 455 . 8 1 1 A 76 76 ARG H H 76 7.637 8.086 -0.449 1
1 456 . 8 1 1 A 76 76 ARG HA H 76 3.908 4.097 -0.189 1
1 463 . 8 1 1 A 76 76 ARG C C 76 179.001 178.776 0.225 1
1 464 . 8 1 1 A 76 76 ARG CA C 76 59.378 58.963 0.415 1
1 465 . 8 1 1 A 76 76 ARG CB C 76 30.767 29.913 0.854 1
1 468 . 8 1 1 A 76 76 ARG N N 76 122.469 122.467 0.002 1
1 469 . 8 1 1 A 77 77 LEU H H 77 7.922 8.044 -0.122 1
1 470 . 8 1 1 A 77 77 LEU HA H 77 3.812 4.092 -0.280 1
1 480 . 8 1 1 A 77 77 LEU C C 77 179.835 179.391 0.444 1
1 481 . 8 1 1 A 77 77 LEU CA C 77 58.306 58.144 0.162 1
1 482 . 8 1 1 A 77 77 LEU CB C 77 42.365 41.905 0.460 1
1 486 . 8 1 1 A 77 77 LEU N N 77 120.640 120.548 0.092 1
1 487 . 8 1 1 A 78 78 VAL H H 78 8.287 8.310 -0.023 1
1 488 . 8 1 1 A 78 78 VAL HA H 78 3.950 4.071 -0.121 1
1 496 . 8 1 1 A 78 78 VAL C C 78 181.099 177.658 3.441 1
1 497 . 8 1 1 A 78 78 VAL CA C 78 66.044 65.613 0.431 1
1 498 . 8 1 1 A 78 78 VAL CB C 78 32.287 31.414 0.873 1
1 501 . 8 1 1 A 78 78 VAL N N 78 121.179 114.265 6.914 1
1 502 . 8 1 1 A 79 79 LYS H H 79 7.836 7.574 0.262 1
1 503 . 8 1 1 A 79 79 LYS HA H 79 4.004 4.199 -0.195 1
1 512 . 8 1 1 A 79 79 LYS CA C 79 59.189 58.779 0.410 1
1 513 . 8 1 1 A 79 79 LYS CB C 79 29.238 32.402 -3.164 1
1 517 . 8 1 1 A 79 79 LYS N N 79 123.239 121.038 2.201 1
1 518 . 8 1 1 A 80 80 LYS HA H 80 4.179 4.205 -0.026 1
1 521 . 8 1 1 A 80 80 LYS CA C 80 57.269 58.207 -0.938 1
1 522 . 8 1 1 A 80 80 LYS CB C 80 31.067 33.648 -2.581 1
1 523 . 8 1 1 A 81 81 GLU H H 81 7.801 7.830 -0.029 1
1 524 . 8 1 1 A 81 81 GLU HA H 81 4.513 4.587 -0.074 1
1 527 . 8 1 1 A 81 81 GLU CA C 81 57.915 57.706 0.209 1
1 528 . 8 1 1 A 81 81 GLU CB C 81 26.150 32.198 -6.048 1
1 529 . 8 1 1 A 81 81 GLU N N 81 126.946 118.225 8.721 1
1 530 . 8 1 1 A 82 82 MET H H 82 7.978 8.523 -0.545 1
1 531 . 8 1 1 A 82 82 MET HA H 82 3.781 4.151 -0.370 1
1 536 . 8 1 1 A 82 82 MET C C 82 176.695 176.532 0.163 1
1 537 . 8 1 1 A 82 82 MET CA C 82 57.599 58.952 -1.353 1
1 538 . 8 1 1 A 82 82 MET CB C 82 33.067 32.661 0.406 1
1 540 . 8 1 1 A 82 82 MET N N 82 112.370 119.983 -7.613 1
1 541 . 8 1 1 A 83 83 LEU H H 83 6.928 7.815 -0.887 1
1 542 . 8 1 1 A 83 83 LEU HA H 83 5.042 4.847 0.195 1
1 548 . 8 1 1 A 83 83 LEU C C 83 175.376 174.709 0.667 1
1 549 . 8 1 1 A 83 83 LEU CA C 83 52.193 53.503 -1.310 1
1 550 . 8 1 1 A 83 83 LEU CB C 83 48.040 45.592 2.448 1
1 553 . 8 1 1 A 83 83 LEU N N 83 116.646 113.981 2.665 1
1 554 . 8 1 1 A 84 84 SER H H 84 9.089 8.560 0.529 1
1 555 . 8 1 1 A 84 84 SER HA H 84 4.711 5.265 -0.554 1
1 558 . 8 1 1 A 84 84 SER C C 84 173.496 173.227 0.269 1
1 559 . 8 1 1 A 84 84 SER CA C 84 56.311 57.606 -1.295 1
1 560 . 8 1 1 A 84 84 SER CB C 84 65.943 67.337 -1.394 1
1 561 . 8 1 1 A 84 84 SER N N 84 115.366 115.173 0.193 1
1 562 . 8 1 1 A 85 85 THR H H 85 8.091 8.699 -0.608 1
1 563 . 8 1 1 A 85 85 THR HA H 85 5.036 5.256 -0.220 1
1 568 . 8 1 1 A 85 85 THR C C 85 173.844 171.979 1.865 1
1 569 . 8 1 1 A 85 85 THR CA C 85 58.919 59.821 -0.902 1
1 570 . 8 1 1 A 85 85 THR CB C 85 71.518 71.169 0.349 1
1 572 . 8 1 1 A 85 85 THR N N 85 110.842 115.398 -4.556 1
1 573 . 8 1 1 A 86 86 GLU H H 86 8.128 8.926 -0.798 1
1 574 . 8 1 1 A 86 86 GLU HA H 86 4.413 4.941 -0.528 1
1 578 . 8 1 1 A 86 86 GLU C C 86 174.693 174.865 -0.172 1
1 579 . 8 1 1 A 86 86 GLU CA C 86 54.405 54.441 -0.036 1
1 580 . 8 1 1 A 86 86 GLU CB C 86 33.099 33.217 -0.118 1
1 582 . 8 1 1 A 86 86 GLU N N 86 122.318 127.251 -4.933 1
1 583 . 8 1 1 A 87 87 LYS H H 87 8.622 8.228 0.394 1
1 584 . 8 1 1 A 87 87 LYS HA H 87 4.153 3.453 0.700 1
1 593 . 8 1 1 A 87 87 LYS C C 87 175.909 174.584 1.325 1
1 594 . 8 1 1 A 87 87 LYS CA C 87 56.403 55.989 0.414 1
1 595 . 8 1 1 A 87 87 LYS CB C 87 32.960 32.800 0.160 1
1 599 . 8 1 1 A 87 87 LYS N N 87 124.854 122.735 2.119 1
1 600 . 8 1 1 A 88 88 GLU HA H 88 4.276 4.523 -0.247 1
1 604 . 8 1 1 A 88 88 GLU C C 88 175.998 176.451 -0.453 1
1 605 . 8 1 1 A 88 88 GLU CA C 88 55.362 55.005 0.357 1
1 606 . 8 1 1 A 88 88 GLU CB C 88 30.945 30.787 0.158 1
1 608 . 8 1 1 A 91 91 LYS H H 91 7.651 7.541 0.110 1
1 609 . 8 1 1 A 91 91 LYS HA H 91 4.456 4.714 -0.258 1
1 616 . 8 1 1 A 91 91 LYS C C 91 174.960 175.216 -0.256 1
1 617 . 8 1 1 A 91 91 LYS CA C 91 54.992 55.048 -0.056 1
1 618 . 8 1 1 A 91 91 LYS CB C 91 34.855 34.247 0.608 1
1 622 . 8 1 1 A 91 91 LYS N N 91 119.096 120.897 -1.801 1
1 623 . 8 1 1 A 92 92 PHE H H 92 7.904 8.926 -1.022 1
1 624 . 8 1 1 A 92 92 PHE HA H 92 4.772 5.436 -0.664 1
1 631 . 8 1 1 A 92 92 PHE C C 92 175.183 174.993 0.190 1
1 632 . 8 1 1 A 92 92 PHE CA C 92 57.762 56.446 1.316 1
1 633 . 8 1 1 A 92 92 PHE CB C 92 40.747 42.002 -1.255 1
1 634 . 8 1 1 A 92 92 PHE N N 92 118.936 120.925 -1.989 1
1 635 . 8 1 1 A 93 93 VAL H H 93 8.626 9.267 -0.641 1
1 636 . 8 1 1 A 93 93 VAL HA H 93 4.090 4.970 -0.880 1
1 644 . 8 1 1 A 93 93 VAL C C 93 174.856 174.852 0.004 1
1 645 . 8 1 1 A 93 93 VAL CA C 93 61.228 61.688 -0.460 1
1 646 . 8 1 1 A 93 93 VAL CB C 93 33.595 33.559 0.036 1
1 648 . 8 1 1 A 93 93 VAL N N 93 120.649 120.387 0.262 1
1 649 . 8 1 1 A 94 94 TYR H H 94 8.950 9.344 -0.394 1
1 650 . 8 1 1 A 94 94 TYR HA H 94 5.029 5.155 -0.126 1
1 657 . 8 1 1 A 94 94 TYR C C 94 175.242 175.697 -0.455 1
1 658 . 8 1 1 A 94 94 TYR CA C 94 57.619 57.837 -0.218 1
1 659 . 8 1 1 A 94 94 TYR CB C 94 41.447 39.346 2.101 1
1 660 . 8 1 1 A 94 94 TYR N N 94 125.589 127.062 -1.473 1
1 661 . 8 1 1 A 95 95 ARG H H 95 8.275 8.969 -0.694 1
1 662 . 8 1 1 A 95 95 ARG HA H 95 5.001 5.021 -0.020 1
1 665 . 8 1 1 A 95 95 ARG CA C 95 53.055 54.094 -1.039 1
1 666 . 8 1 1 A 95 95 ARG N N 95 118.094 121.670 -3.576 1
1 670 . 8 1 1 A 96 96 PRO CA C 96 63.815 62.317 1.498 1
1 671 . 8 1 1 A 96 96 PRO CB C 96 33.778 32.367 1.411 1
1 673 . 8 1 1 A 97 97 LEU H H 97 7.862 8.420 -0.558 1
1 674 . 8 1 1 A 97 97 LEU HA H 97 4.054 4.392 -0.338 1
1 684 . 8 1 1 A 97 97 LEU CA C 97 55.208 54.925 0.283 1
1 685 . 8 1 1 A 97 97 LEU CB C 97 42.072 42.604 -0.532 1
1 1 . 9 1 1 A 36 36 ALA HA H 36 4.250 4.305 -0.055 1
1 5 . 9 1 1 A 36 36 ALA CA C 36 55.550 54.153 1.397 1
1 6 . 9 1 1 A 36 36 ALA CB C 36 19.203 19.329 -0.126 1
1 7 . 9 1 1 A 39 39 ILE HA H 39 4.250 3.677 0.573 1
1 17 . 9 1 1 A 39 39 ILE CA C 39 58.724 65.374 -6.650 1
1 18 . 9 1 1 A 39 39 ILE CB C 39 38.496 37.821 0.675 1
1 22 . 9 1 1 A 40 40 VAL HA H 40 3.198 3.998 -0.800 1
1 30 . 9 1 1 A 40 40 VAL CA C 40 67.086 65.259 1.827 1
1 31 . 9 1 1 A 40 40 VAL CB C 40 30.969 31.275 -0.306 1
1 34 . 9 1 1 A 42 42 ARG HA H 42 3.770 4.725 -0.955 1
1 35 . 9 1 1 A 42 42 ARG CA C 42 55.107 57.286 -2.179 1
1 36 . 9 1 1 A 43 43 VAL H H 43 7.364 7.957 -0.593 1
1 37 . 9 1 1 A 43 43 VAL HA H 43 3.506 3.791 -0.285 1
1 45 . 9 1 1 A 43 43 VAL C C 43 178.600 177.619 0.981 1
1 46 . 9 1 1 A 43 43 VAL CA C 43 66.598 65.614 0.984 1
1 47 . 9 1 1 A 43 43 VAL CB C 43 31.203 31.704 -0.501 1
1 50 . 9 1 1 A 43 43 VAL N N 43 119.765 119.301 0.464 1
1 51 . 9 1 1 A 44 44 ILE H H 44 7.829 8.217 -0.388 1
1 52 . 9 1 1 A 44 44 ILE HA H 44 3.242 3.774 -0.532 1
1 62 . 9 1 1 A 44 44 ILE C C 44 178.289 178.339 -0.050 1
1 63 . 9 1 1 A 44 44 ILE CA C 44 66.146 64.536 1.610 1
1 64 . 9 1 1 A 44 44 ILE CB C 44 36.869 36.949 -0.080 1
1 68 . 9 1 1 A 44 44 ILE N N 44 120.991 120.880 0.111 1
1 69 . 9 1 1 A 45 45 TRP H H 45 9.154 8.189 0.965 1
1 70 . 9 1 1 A 45 45 TRP HA H 45 4.377 4.115 0.262 1
1 77 . 9 1 1 A 45 45 TRP C C 45 179.154 178.793 0.361 1
1 78 . 9 1 1 A 45 45 TRP CA C 45 60.749 60.926 -0.177 1
1 79 . 9 1 1 A 45 45 TRP CB C 45 28.620 29.735 -1.115 1
1 80 . 9 1 1 A 45 45 TRP N N 45 119.877 123.373 -3.496 1
1 82 . 9 1 1 A 46 46 SER H H 46 7.556 7.892 -0.336 1
1 83 . 9 1 1 A 46 46 SER HA H 46 4.247 4.107 0.140 1
1 86 . 9 1 1 A 46 46 SER C C 46 175.737 177.326 -1.589 1
1 87 . 9 1 1 A 46 46 SER CA C 46 61.315 61.176 0.139 1
1 88 . 9 1 1 A 46 46 SER CB C 46 63.510 62.783 0.727 1
1 89 . 9 1 1 A 46 46 SER N N 46 113.170 114.553 -1.383 1
1 90 . 9 1 1 A 47 47 LEU H H 47 7.667 7.411 0.256 1
1 91 . 9 1 1 A 47 47 LEU HA H 47 4.274 4.117 0.157 1
1 101 . 9 1 1 A 47 47 LEU C C 47 178.987 176.973 2.014 1
1 102 . 9 1 1 A 47 47 LEU CA C 47 55.835 56.712 -0.877 1
1 103 . 9 1 1 A 47 47 LEU CB C 47 43.548 43.023 0.525 1
1 107 . 9 1 1 A 47 47 LEU N N 47 120.838 122.221 -1.383 1
1 108 . 9 1 1 A 48 48 GLY H H 48 8.656 8.517 0.139 1
1 109 . 9 1 1 A 48 48 GLY HA2 H 48 4.373 3.907 0.466 1
1 110 . 9 1 1 A 48 48 GLY HA3 H 48 3.296 3.911 -0.615 1
1 111 . 9 1 1 A 48 48 GLY C C 48 173.625 173.328 0.297 1
1 112 . 9 1 1 A 48 48 GLY CA C 48 46.944 45.954 0.990 1
1 113 . 9 1 1 A 48 48 GLY N N 48 113.217 107.004 6.213 1
1 114 . 9 1 1 A 49 49 GLU H H 49 7.347 7.900 -0.553 1
1 115 . 9 1 1 A 49 49 GLU HA H 49 4.830 4.933 -0.103 1
1 120 . 9 1 1 A 49 49 GLU C C 49 174.973 175.386 -0.413 1
1 121 . 9 1 1 A 49 49 GLU CA C 49 55.026 55.297 -0.271 1
1 122 . 9 1 1 A 49 49 GLU CB C 49 31.947 31.937 0.010 1
1 124 . 9 1 1 A 49 49 GLU N N 49 116.219 121.643 -5.424 1
1 125 . 9 1 1 A 50 50 ALA H H 50 8.598 8.905 -0.307 1
1 126 . 9 1 1 A 50 50 ALA HA H 50 4.817 5.214 -0.397 1
1 130 . 9 1 1 A 50 50 ALA C C 50 176.042 176.226 -0.184 1
1 131 . 9 1 1 A 50 50 ALA CA C 50 52.189 50.503 1.686 1
1 132 . 9 1 1 A 50 50 ALA CB C 50 24.738 23.350 1.388 1
1 133 . 9 1 1 A 50 50 ALA N N 50 122.121 128.815 -6.694 1
1 134 . 9 1 1 A 51 51 ARG H H 51 8.935 8.807 0.128 1
1 135 . 9 1 1 A 51 51 ARG HA H 51 5.098 4.639 0.459 1
1 142 . 9 1 1 A 51 51 ARG C C 51 178.696 177.860 0.836 1
1 143 . 9 1 1 A 51 51 ARG CA C 51 54.995 55.881 -0.886 1
1 144 . 9 1 1 A 51 51 ARG CB C 51 32.605 31.058 1.547 1
1 147 . 9 1 1 A 51 51 ARG N N 51 121.019 120.721 0.298 1
1 148 . 9 1 1 A 52 52 VAL H H 52 9.767 8.800 0.967 1
1 149 . 9 1 1 A 52 52 VAL HA H 52 3.494 3.683 -0.189 1
1 157 . 9 1 1 A 52 52 VAL C C 52 176.292 177.182 -0.890 1
1 158 . 9 1 1 A 52 52 VAL CA C 52 67.295 65.388 1.907 1
1 159 . 9 1 1 A 52 52 VAL CB C 52 31.427 31.921 -0.494 1
1 162 . 9 1 1 A 52 52 VAL N N 52 121.483 124.047 -2.564 1
1 163 . 9 1 1 A 53 53 ASP H H 53 8.640 8.926 -0.286 1
1 164 . 9 1 1 A 53 53 ASP HA H 53 4.199 4.543 -0.344 1
1 167 . 9 1 1 A 53 53 ASP C C 53 178.904 178.505 0.399 1
1 168 . 9 1 1 A 53 53 ASP CA C 53 56.797 56.247 0.550 1
1 169 . 9 1 1 A 53 53 ASP CB C 53 39.068 39.268 -0.200 1
1 170 . 9 1 1 A 53 53 ASP N N 53 116.987 120.078 -3.091 1
1 171 . 9 1 1 A 54 54 GLU H H 54 7.028 7.939 -0.911 1
1 172 . 9 1 1 A 54 54 GLU HA H 54 4.017 4.095 -0.078 1
1 176 . 9 1 1 A 54 54 GLU C C 54 178.696 178.866 -0.170 1
1 177 . 9 1 1 A 54 54 GLU CA C 54 58.261 59.092 -0.831 1
1 178 . 9 1 1 A 54 54 GLU CB C 54 30.742 29.952 0.790 1
1 180 . 9 1 1 A 54 54 GLU N N 54 119.862 120.446 -0.584 1
1 181 . 9 1 1 A 55 55 ILE H H 55 7.639 7.820 -0.181 1
1 182 . 9 1 1 A 55 55 ILE HA H 55 3.345 3.823 -0.478 1
1 192 . 9 1 1 A 55 55 ILE C C 55 177.945 177.680 0.265 1
1 193 . 9 1 1 A 55 55 ILE CA C 55 64.533 64.356 0.177 1
1 194 . 9 1 1 A 55 55 ILE CB C 55 38.824 37.525 1.299 1
1 198 . 9 1 1 A 55 55 ILE N N 55 118.743 118.340 0.403 1
1 199 . 9 1 1 A 56 56 TYR H H 56 8.548 8.189 0.359 1
1 200 . 9 1 1 A 56 56 TYR HA H 56 4.028 4.123 -0.095 1
1 207 . 9 1 1 A 56 56 TYR C C 56 177.279 177.985 -0.706 1
1 208 . 9 1 1 A 56 56 TYR CA C 56 61.046 62.242 -1.196 1
1 209 . 9 1 1 A 56 56 TYR CB C 56 38.746 38.708 0.038 1
1 210 . 9 1 1 A 56 56 TYR N N 56 117.394 124.141 -6.747 1
1 211 . 9 1 1 A 57 57 ALA H H 57 7.305 7.948 -0.643 1
1 212 . 9 1 1 A 57 57 ALA HA H 57 3.891 3.649 0.242 1
1 216 . 9 1 1 A 57 57 ALA C C 57 178.515 179.010 -0.495 1
1 217 . 9 1 1 A 57 57 ALA CA C 57 53.867 54.697 -0.830 1
1 218 . 9 1 1 A 57 57 ALA CB C 57 18.567 18.146 0.421 1
1 219 . 9 1 1 A 57 57 ALA N N 57 116.845 121.281 -4.436 1
1 220 . 9 1 1 A 58 58 GLN H H 58 7.182 7.501 -0.319 1
1 221 . 9 1 1 A 58 58 GLN HA H 58 4.182 4.268 -0.086 1
1 228 . 9 1 1 A 58 58 GLN C C 58 176.015 175.391 0.624 1
1 229 . 9 1 1 A 58 58 GLN CA C 58 54.679 57.535 -2.856 1
1 230 . 9 1 1 A 58 58 GLN CB C 58 29.584 29.206 0.378 1
1 232 . 9 1 1 A 58 58 GLN N N 58 113.228 114.791 -1.563 1
1 234 . 9 1 1 A 59 59 ILE H H 59 7.051 7.727 -0.676 1
1 235 . 9 1 1 A 59 59 ILE HA H 59 3.829 4.263 -0.434 1
1 245 . 9 1 1 A 59 59 ILE CA C 59 57.557 58.123 -0.566 1
1 246 . 9 1 1 A 59 59 ILE CB C 59 36.090 38.431 -2.341 1
1 250 . 9 1 1 A 59 59 ILE N N 59 121.926 120.769 1.157 1
1 251 . 9 1 1 A 60 60 PRO HA H 60 4.049 4.537 -0.488 1
1 258 . 9 1 1 A 60 60 PRO CA C 60 63.775 62.952 0.823 1
1 259 . 9 1 1 A 60 60 PRO CB C 60 32.050 31.641 0.409 1
1 262 . 9 1 1 A 61 61 GLN H H 61 8.772 8.588 0.184 1
1 263 . 9 1 1 A 61 61 GLN HA H 61 3.772 4.054 -0.282 1
1 270 . 9 1 1 A 61 61 GLN C C 61 178.654 177.379 1.275 1
1 271 . 9 1 1 A 61 61 GLN CA C 61 58.761 58.082 0.679 1
1 272 . 9 1 1 A 61 61 GLN CB C 61 28.318 28.254 0.064 1
1 274 . 9 1 1 A 61 61 GLN N N 61 126.284 123.401 2.883 1
1 276 . 9 1 1 A 62 62 GLU H H 62 9.471 8.143 1.328 1
1 277 . 9 1 1 A 62 62 GLU HA H 62 3.971 4.240 -0.269 1
1 282 . 9 1 1 A 62 62 GLU C C 62 177.376 178.837 -1.461 1
1 283 . 9 1 1 A 62 62 GLU CA C 62 58.072 58.416 -0.344 1
1 284 . 9 1 1 A 62 62 GLU CB C 62 28.164 29.338 -1.174 1
1 286 . 9 1 1 A 62 62 GLU N N 62 118.102 118.563 -0.461 1
1 287 . 9 1 1 A 63 63 LEU H H 63 6.792 7.253 -0.461 1
1 288 . 9 1 1 A 63 63 LEU HA H 63 3.717 3.924 -0.207 1
1 298 . 9 1 1 A 63 63 LEU C C 63 176.570 177.663 -1.093 1
1 299 . 9 1 1 A 63 63 LEU CA C 63 56.173 57.606 -1.433 1
1 300 . 9 1 1 A 63 63 LEU CB C 63 39.610 41.732 -2.122 1
1 304 . 9 1 1 A 63 63 LEU N N 63 118.573 120.419 -1.846 1
1 305 . 9 1 1 A 64 64 GLU H H 64 7.589 7.706 -0.117 1
1 306 . 9 1 1 A 64 64 GLU HA H 64 3.782 4.530 -0.748 1
1 311 . 9 1 1 A 64 64 GLU C C 64 176.723 176.261 0.462 1
1 312 . 9 1 1 A 64 64 GLU CA C 64 57.031 56.579 0.452 1
1 313 . 9 1 1 A 64 64 GLU CB C 64 26.951 31.663 -4.712 1
1 315 . 9 1 1 A 64 64 GLU N N 64 112.960 111.214 1.746 1
1 316 . 9 1 1 A 65 65 TRP H H 65 8.340 7.600 0.740 1
1 317 . 9 1 1 A 65 65 TRP HA H 65 5.097 4.974 0.123 1
1 323 . 9 1 1 A 65 65 TRP CA C 65 54.697 56.385 -1.688 1
1 324 . 9 1 1 A 65 65 TRP CB C 65 30.450 31.940 -1.490 1
1 325 . 9 1 1 A 65 65 TRP N N 65 119.866 121.328 -1.462 1
1 327 . 9 1 1 A 66 66 SER HA H 66 4.700 4.936 -0.236 1
1 330 . 9 1 1 A 66 66 SER CA C 66 56.340 57.367 -1.027 1
1 331 . 9 1 1 A 66 66 SER CB C 66 66.184 67.124 -0.940 1
1 332 . 9 1 1 A 67 67 LEU H H 67 8.622 8.733 -0.111 1
1 333 . 9 1 1 A 67 67 LEU HA H 67 3.357 3.578 -0.221 1
1 343 . 9 1 1 A 67 67 LEU C C 67 178.779 178.349 0.430 1
1 344 . 9 1 1 A 67 67 LEU CA C 67 58.385 58.126 0.259 1
1 345 . 9 1 1 A 67 67 LEU CB C 67 41.218 41.210 0.008 1
1 349 . 9 1 1 A 67 67 LEU N N 67 123.216 127.243 -4.027 1
1 350 . 9 1 1 A 68 68 ALA H H 68 7.987 8.163 -0.176 1
1 351 . 9 1 1 A 68 68 ALA HA H 68 3.766 3.985 -0.219 1
1 355 . 9 1 1 A 68 68 ALA C C 68 180.626 180.079 0.547 1
1 356 . 9 1 1 A 68 68 ALA CA C 68 55.431 54.874 0.557 1
1 357 . 9 1 1 A 68 68 ALA CB C 68 17.780 18.124 -0.344 1
1 358 . 9 1 1 A 68 68 ALA N N 68 119.912 120.416 -0.504 1
1 359 . 9 1 1 A 69 69 THR H H 69 7.781 7.783 -0.002 1
1 360 . 9 1 1 A 69 69 THR HA H 69 3.477 3.794 -0.317 1
1 365 . 9 1 1 A 69 69 THR C C 69 176.154 176.301 -0.147 1
1 366 . 9 1 1 A 69 69 THR CA C 69 66.975 66.923 0.052 1
1 367 . 9 1 1 A 69 69 THR CB C 69 68.525 68.587 -0.062 1
1 369 . 9 1 1 A 69 69 THR N N 69 118.256 114.830 3.426 1
1 370 . 9 1 1 A 70 70 VAL H H 70 7.373 7.770 -0.397 1
1 371 . 9 1 1 A 70 70 VAL HA H 70 3.201 3.757 -0.556 1
1 379 . 9 1 1 A 70 70 VAL C C 70 177.265 177.836 -0.571 1
1 380 . 9 1 1 A 70 70 VAL CA C 70 67.795 65.138 2.657 1
1 381 . 9 1 1 A 70 70 VAL CB C 70 31.342 31.306 0.036 1
1 384 . 9 1 1 A 70 70 VAL N N 70 120.502 120.208 0.294 1
1 385 . 9 1 1 A 71 71 LYS H H 71 8.521 7.877 0.644 1
1 386 . 9 1 1 A 71 71 LYS HA H 71 3.659 3.916 -0.257 1
1 395 . 9 1 1 A 71 71 LYS C C 71 180.154 178.814 1.340 1
1 396 . 9 1 1 A 71 71 LYS CA C 71 61.155 59.314 1.841 1
1 397 . 9 1 1 A 71 71 LYS CB C 71 32.114 32.408 -0.294 1
1 401 . 9 1 1 A 71 71 LYS N N 71 118.966 122.208 -3.242 1
1 402 . 9 1 1 A 72 72 THR H H 72 8.160 7.820 0.340 1
1 403 . 9 1 1 A 72 72 THR HA H 72 3.747 4.039 -0.292 1
1 408 . 9 1 1 A 72 72 THR C C 72 177.209 176.452 0.757 1
1 409 . 9 1 1 A 72 72 THR CA C 72 66.978 65.410 1.568 1
1 410 . 9 1 1 A 72 72 THR CB C 72 68.268 68.316 -0.048 1
1 412 . 9 1 1 A 72 72 THR N N 72 119.017 114.225 4.792 1
1 413 . 9 1 1 A 73 73 LEU H H 73 7.753 8.419 -0.666 1
1 414 . 9 1 1 A 73 73 LEU HA H 73 3.682 3.972 -0.290 1
1 424 . 9 1 1 A 73 73 LEU C C 73 178.821 178.540 0.281 1
1 425 . 9 1 1 A 73 73 LEU CA C 73 58.671 58.141 0.530 1
1 426 . 9 1 1 A 73 73 LEU CB C 73 42.182 41.383 0.799 1
1 430 . 9 1 1 A 73 73 LEU N N 73 123.340 122.661 0.679 1
1 431 . 9 1 1 A 74 74 LEU H H 74 8.341 8.563 -0.222 1
1 432 . 9 1 1 A 74 74 LEU HA H 74 3.551 3.924 -0.373 1
1 442 . 9 1 1 A 74 74 LEU C C 74 178.832 179.368 -0.536 1
1 443 . 9 1 1 A 74 74 LEU CA C 74 58.293 58.444 -0.151 1
1 444 . 9 1 1 A 74 74 LEU CB C 74 40.530 41.678 -1.148 1
1 448 . 9 1 1 A 74 74 LEU N N 74 118.538 119.425 -0.887 1
1 449 . 9 1 1 A 75 75 GLY H H 75 7.780 7.666 0.114 1
1 450 . 9 1 1 A 75 75 GLY HA2 H 75 3.648 3.889 -0.241 1
1 451 . 9 1 1 A 75 75 GLY HA3 H 75 3.767 3.912 -0.145 1
1 452 . 9 1 1 A 75 75 GLY C C 75 177.626 176.547 1.079 1
1 453 . 9 1 1 A 75 75 GLY CA C 75 47.290 46.875 0.415 1
1 454 . 9 1 1 A 75 75 GLY N N 75 103.878 105.019 -1.141 1
1 455 . 9 1 1 A 76 76 ARG H H 76 7.637 7.934 -0.297 1
1 456 . 9 1 1 A 76 76 ARG HA H 76 3.908 4.038 -0.130 1
1 463 . 9 1 1 A 76 76 ARG C C 76 179.001 178.835 0.166 1
1 464 . 9 1 1 A 76 76 ARG CA C 76 59.378 58.982 0.396 1
1 465 . 9 1 1 A 76 76 ARG CB C 76 30.767 30.326 0.441 1
1 468 . 9 1 1 A 76 76 ARG N N 76 122.469 122.465 0.004 1
1 469 . 9 1 1 A 77 77 LEU H H 77 7.922 8.112 -0.190 1
1 470 . 9 1 1 A 77 77 LEU HA H 77 3.812 4.039 -0.227 1
1 480 . 9 1 1 A 77 77 LEU C C 77 179.835 179.245 0.590 1
1 481 . 9 1 1 A 77 77 LEU CA C 77 58.306 58.145 0.161 1
1 482 . 9 1 1 A 77 77 LEU CB C 77 42.365 41.998 0.367 1
1 486 . 9 1 1 A 77 77 LEU N N 77 120.640 120.393 0.247 1
1 487 . 9 1 1 A 78 78 VAL H H 78 8.287 8.295 -0.008 1
1 488 . 9 1 1 A 78 78 VAL HA H 78 3.950 4.089 -0.139 1
1 496 . 9 1 1 A 78 78 VAL C C 78 181.099 178.169 2.930 1
1 497 . 9 1 1 A 78 78 VAL CA C 78 66.044 65.623 0.421 1
1 498 . 9 1 1 A 78 78 VAL CB C 78 32.287 31.591 0.696 1
1 501 . 9 1 1 A 78 78 VAL N N 78 121.179 114.315 6.864 1
1 502 . 9 1 1 A 79 79 LYS H H 79 7.836 7.817 0.019 1
1 503 . 9 1 1 A 79 79 LYS HA H 79 4.004 4.215 -0.211 1
1 512 . 9 1 1 A 79 79 LYS CA C 79 59.189 58.551 0.638 1
1 513 . 9 1 1 A 79 79 LYS CB C 79 29.238 32.248 -3.010 1
1 517 . 9 1 1 A 79 79 LYS N N 79 123.239 121.965 1.274 1
1 518 . 9 1 1 A 80 80 LYS HA H 80 4.179 4.275 -0.096 1
1 521 . 9 1 1 A 80 80 LYS CA C 80 57.269 57.812 -0.543 1
1 522 . 9 1 1 A 80 80 LYS CB C 80 31.067 32.788 -1.721 1
1 523 . 9 1 1 A 81 81 GLU H H 81 7.801 7.997 -0.196 1
1 524 . 9 1 1 A 81 81 GLU HA H 81 4.513 4.622 -0.109 1
1 527 . 9 1 1 A 81 81 GLU CA C 81 57.915 55.958 1.957 1
1 528 . 9 1 1 A 81 81 GLU CB C 81 26.150 31.621 -5.471 1
1 529 . 9 1 1 A 81 81 GLU N N 81 126.946 116.615 10.331 1
1 530 . 9 1 1 A 82 82 MET H H 82 7.978 8.410 -0.432 1
1 531 . 9 1 1 A 82 82 MET HA H 82 3.781 4.654 -0.873 1
1 536 . 9 1 1 A 82 82 MET C C 82 176.695 176.426 0.269 1
1 537 . 9 1 1 A 82 82 MET CA C 82 57.599 56.817 0.782 1
1 538 . 9 1 1 A 82 82 MET CB C 82 33.067 35.048 -1.981 1
1 540 . 9 1 1 A 82 82 MET N N 82 112.370 118.488 -6.118 1
1 541 . 9 1 1 A 83 83 LEU H H 83 6.928 7.929 -1.001 1
1 542 . 9 1 1 A 83 83 LEU HA H 83 5.042 4.714 0.328 1
1 548 . 9 1 1 A 83 83 LEU C C 83 175.376 174.356 1.020 1
1 549 . 9 1 1 A 83 83 LEU CA C 83 52.193 53.729 -1.536 1
1 550 . 9 1 1 A 83 83 LEU CB C 83 48.040 44.333 3.707 1
1 553 . 9 1 1 A 83 83 LEU N N 83 116.646 114.989 1.657 1
1 554 . 9 1 1 A 84 84 SER H H 84 9.089 8.463 0.626 1
1 555 . 9 1 1 A 84 84 SER HA H 84 4.711 5.466 -0.755 1
1 558 . 9 1 1 A 84 84 SER C C 84 173.496 173.344 0.152 1
1 559 . 9 1 1 A 84 84 SER CA C 84 56.311 57.496 -1.185 1
1 560 . 9 1 1 A 84 84 SER CB C 84 65.943 66.922 -0.979 1
1 561 . 9 1 1 A 84 84 SER N N 84 115.366 114.876 0.490 1
1 562 . 9 1 1 A 85 85 THR H H 85 8.091 8.664 -0.573 1
1 563 . 9 1 1 A 85 85 THR HA H 85 5.036 4.947 0.089 1
1 568 . 9 1 1 A 85 85 THR C C 85 173.844 171.758 2.086 1
1 569 . 9 1 1 A 85 85 THR CA C 85 58.919 60.308 -1.389 1
1 570 . 9 1 1 A 85 85 THR CB C 85 71.518 71.139 0.379 1
1 572 . 9 1 1 A 85 85 THR N N 85 110.842 115.772 -4.930 1
1 573 . 9 1 1 A 86 86 GLU H H 86 8.128 9.094 -0.966 1
1 574 . 9 1 1 A 86 86 GLU HA H 86 4.413 4.974 -0.561 1
1 578 . 9 1 1 A 86 86 GLU C C 86 174.693 174.749 -0.056 1
1 579 . 9 1 1 A 86 86 GLU CA C 86 54.405 54.504 -0.099 1
1 580 . 9 1 1 A 86 86 GLU CB C 86 33.099 34.299 -1.200 1
1 582 . 9 1 1 A 86 86 GLU N N 86 122.318 126.778 -4.460 1
1 583 . 9 1 1 A 87 87 LYS H H 87 8.622 8.452 0.170 1
1 584 . 9 1 1 A 87 87 LYS HA H 87 4.153 4.653 -0.500 1
1 593 . 9 1 1 A 87 87 LYS C C 87 175.909 175.642 0.267 1
1 594 . 9 1 1 A 87 87 LYS CA C 87 56.403 55.033 1.370 1
1 595 . 9 1 1 A 87 87 LYS CB C 87 32.960 34.011 -1.051 1
1 599 . 9 1 1 A 87 87 LYS N N 87 124.854 121.884 2.970 1
1 600 . 9 1 1 A 88 88 GLU HA H 88 4.276 4.660 -0.384 1
1 604 . 9 1 1 A 88 88 GLU C C 88 175.998 176.689 -0.691 1
1 605 . 9 1 1 A 88 88 GLU CA C 88 55.362 55.231 0.131 1
1 606 . 9 1 1 A 88 88 GLU CB C 88 30.945 33.171 -2.226 1
1 608 . 9 1 1 A 91 91 LYS H H 91 7.651 7.447 0.204 1
1 609 . 9 1 1 A 91 91 LYS HA H 91 4.456 4.788 -0.332 1
1 616 . 9 1 1 A 91 91 LYS C C 91 174.960 175.073 -0.113 1
1 617 . 9 1 1 A 91 91 LYS CA C 91 54.992 54.535 0.457 1
1 618 . 9 1 1 A 91 91 LYS CB C 91 34.855 35.696 -0.841 1
1 622 . 9 1 1 A 91 91 LYS N N 91 119.096 118.750 0.346 1
1 623 . 9 1 1 A 92 92 PHE H H 92 7.904 8.967 -1.063 1
1 624 . 9 1 1 A 92 92 PHE HA H 92 4.772 5.248 -0.476 1
1 631 . 9 1 1 A 92 92 PHE C C 92 175.183 175.303 -0.120 1
1 632 . 9 1 1 A 92 92 PHE CA C 92 57.762 57.106 0.656 1
1 633 . 9 1 1 A 92 92 PHE CB C 92 40.747 41.369 -0.622 1
1 634 . 9 1 1 A 92 92 PHE N N 92 118.936 117.942 0.994 1
1 635 . 9 1 1 A 93 93 VAL H H 93 8.626 9.041 -0.415 1
1 636 . 9 1 1 A 93 93 VAL HA H 93 4.090 5.169 -1.079 1
1 644 . 9 1 1 A 93 93 VAL C C 93 174.856 174.271 0.585 1
1 645 . 9 1 1 A 93 93 VAL CA C 93 61.228 61.518 -0.290 1
1 646 . 9 1 1 A 93 93 VAL CB C 93 33.595 35.030 -1.435 1
1 648 . 9 1 1 A 93 93 VAL N N 93 120.649 120.071 0.578 1
1 649 . 9 1 1 A 94 94 TYR H H 94 8.950 9.412 -0.462 1
1 650 . 9 1 1 A 94 94 TYR HA H 94 5.029 5.341 -0.312 1
1 657 . 9 1 1 A 94 94 TYR C C 94 175.242 175.269 -0.027 1
1 658 . 9 1 1 A 94 94 TYR CA C 94 57.619 56.587 1.032 1
1 659 . 9 1 1 A 94 94 TYR CB C 94 41.447 40.627 0.820 1
1 660 . 9 1 1 A 94 94 TYR N N 94 125.589 126.344 -0.755 1
1 661 . 9 1 1 A 95 95 ARG H H 95 8.275 8.749 -0.474 1
1 662 . 9 1 1 A 95 95 ARG HA H 95 5.001 5.127 -0.126 1
1 665 . 9 1 1 A 95 95 ARG CA C 95 53.055 53.006 0.049 1
1 666 . 9 1 1 A 95 95 ARG N N 95 118.094 123.651 -5.557 1
1 670 . 9 1 1 A 96 96 PRO CA C 96 63.815 62.422 1.393 1
1 671 . 9 1 1 A 96 96 PRO CB C 96 33.778 33.409 0.369 1
1 673 . 9 1 1 A 97 97 LEU H H 97 7.862 8.820 -0.958 1
1 674 . 9 1 1 A 97 97 LEU HA H 97 4.054 4.169 -0.115 1
1 684 . 9 1 1 A 97 97 LEU CA C 97 55.208 56.132 -0.924 1
1 685 . 9 1 1 A 97 97 LEU CB C 97 42.072 42.965 -0.893 1
1 1 . 10 1 1 A 36 36 ALA HA H 36 4.250 4.345 -0.095 1
1 5 . 10 1 1 A 36 36 ALA CA C 36 55.550 55.281 0.269 1
1 6 . 10 1 1 A 36 36 ALA CB C 36 19.203 18.523 0.680 1
1 7 . 10 1 1 A 39 39 ILE HA H 39 4.250 3.619 0.631 1
1 17 . 10 1 1 A 39 39 ILE CA C 39 58.724 65.110 -6.386 1
1 18 . 10 1 1 A 39 39 ILE CB C 39 38.496 37.776 0.720 1
1 22 . 10 1 1 A 40 40 VAL HA H 40 3.198 3.974 -0.776 1
1 30 . 10 1 1 A 40 40 VAL CA C 40 67.086 65.237 1.849 1
1 31 . 10 1 1 A 40 40 VAL CB C 40 30.969 31.308 -0.339 1
1 34 . 10 1 1 A 42 42 ARG HA H 42 3.770 4.777 -1.007 1
1 35 . 10 1 1 A 42 42 ARG CA C 42 55.107 56.917 -1.810 1
1 36 . 10 1 1 A 43 43 VAL H H 43 7.364 8.107 -0.743 1
1 37 . 10 1 1 A 43 43 VAL HA H 43 3.506 3.775 -0.269 1
1 45 . 10 1 1 A 43 43 VAL C C 43 178.600 177.647 0.953 1
1 46 . 10 1 1 A 43 43 VAL CA C 43 66.598 65.722 0.876 1
1 47 . 10 1 1 A 43 43 VAL CB C 43 31.203 31.532 -0.329 1
1 50 . 10 1 1 A 43 43 VAL N N 43 119.765 119.613 0.152 1
1 51 . 10 1 1 A 44 44 ILE H H 44 7.829 8.122 -0.293 1
1 52 . 10 1 1 A 44 44 ILE HA H 44 3.242 3.766 -0.524 1
1 62 . 10 1 1 A 44 44 ILE C C 44 178.289 178.670 -0.381 1
1 63 . 10 1 1 A 44 44 ILE CA C 44 66.146 64.923 1.223 1
1 64 . 10 1 1 A 44 44 ILE CB C 44 36.869 37.817 -0.948 1
1 68 . 10 1 1 A 44 44 ILE N N 44 120.991 120.675 0.316 1
1 69 . 10 1 1 A 45 45 TRP H H 45 9.154 8.339 0.815 1
1 70 . 10 1 1 A 45 45 TRP HA H 45 4.377 4.101 0.276 1
1 77 . 10 1 1 A 45 45 TRP C C 45 179.154 179.067 0.087 1
1 78 . 10 1 1 A 45 45 TRP CA C 45 60.749 61.031 -0.282 1
1 79 . 10 1 1 A 45 45 TRP CB C 45 28.620 29.703 -1.083 1
1 80 . 10 1 1 A 45 45 TRP N N 45 119.877 122.566 -2.689 1
1 82 . 10 1 1 A 46 46 SER H H 46 7.556 7.769 -0.213 1
1 83 . 10 1 1 A 46 46 SER HA H 46 4.247 3.919 0.328 1
1 86 . 10 1 1 A 46 46 SER C C 46 175.737 176.928 -1.191 1
1 87 . 10 1 1 A 46 46 SER CA C 46 61.315 60.932 0.383 1
1 88 . 10 1 1 A 46 46 SER CB C 46 63.510 62.950 0.560 1
1 89 . 10 1 1 A 46 46 SER N N 46 113.170 114.247 -1.077 1
1 90 . 10 1 1 A 47 47 LEU H H 47 7.667 7.375 0.292 1
1 91 . 10 1 1 A 47 47 LEU HA H 47 4.274 4.029 0.245 1
1 101 . 10 1 1 A 47 47 LEU C C 47 178.987 176.666 2.321 1
1 102 . 10 1 1 A 47 47 LEU CA C 47 55.835 56.722 -0.887 1
1 103 . 10 1 1 A 47 47 LEU CB C 47 43.548 42.577 0.971 1
1 107 . 10 1 1 A 47 47 LEU N N 47 120.838 118.901 1.937 1
1 108 . 10 1 1 A 48 48 GLY H H 48 8.656 7.761 0.895 1
1 109 . 10 1 1 A 48 48 GLY HA2 H 48 4.373 3.955 0.418 1
1 110 . 10 1 1 A 48 48 GLY HA3 H 48 3.296 3.995 -0.699 1
1 111 . 10 1 1 A 48 48 GLY C C 48 173.625 173.399 0.226 1
1 112 . 10 1 1 A 48 48 GLY CA C 48 46.944 45.447 1.497 1
1 113 . 10 1 1 A 48 48 GLY N N 48 113.217 106.200 7.017 1
1 114 . 10 1 1 A 49 49 GLU H H 49 7.347 7.784 -0.437 1
1 115 . 10 1 1 A 49 49 GLU HA H 49 4.830 5.014 -0.184 1
1 120 . 10 1 1 A 49 49 GLU C C 49 174.973 174.178 0.795 1
1 121 . 10 1 1 A 49 49 GLU CA C 49 55.026 54.634 0.392 1
1 122 . 10 1 1 A 49 49 GLU CB C 49 31.947 33.051 -1.104 1
1 124 . 10 1 1 A 49 49 GLU N N 49 116.219 116.515 -0.296 1
1 125 . 10 1 1 A 50 50 ALA H H 50 8.598 8.355 0.243 1
1 126 . 10 1 1 A 50 50 ALA HA H 50 4.817 4.963 -0.146 1
1 130 . 10 1 1 A 50 50 ALA C C 50 176.042 176.072 -0.030 1
1 131 . 10 1 1 A 50 50 ALA CA C 50 52.189 51.257 0.932 1
1 132 . 10 1 1 A 50 50 ALA CB C 50 24.738 23.128 1.610 1
1 133 . 10 1 1 A 50 50 ALA N N 50 122.121 121.662 0.459 1
1 134 . 10 1 1 A 51 51 ARG H H 51 8.935 8.933 0.002 1
1 135 . 10 1 1 A 51 51 ARG HA H 51 5.098 4.854 0.244 1
1 142 . 10 1 1 A 51 51 ARG C C 51 178.696 177.875 0.821 1
1 143 . 10 1 1 A 51 51 ARG CA C 51 54.995 55.423 -0.428 1
1 144 . 10 1 1 A 51 51 ARG CB C 51 32.605 31.125 1.480 1
1 147 . 10 1 1 A 51 51 ARG N N 51 121.019 121.666 -0.647 1
1 148 . 10 1 1 A 52 52 VAL H H 52 9.767 8.309 1.458 1
1 149 . 10 1 1 A 52 52 VAL HA H 52 3.494 3.960 -0.466 1
1 157 . 10 1 1 A 52 52 VAL C C 52 176.292 177.472 -1.180 1
1 158 . 10 1 1 A 52 52 VAL CA C 52 67.295 65.641 1.654 1
1 159 . 10 1 1 A 52 52 VAL CB C 52 31.427 31.761 -0.334 1
1 162 . 10 1 1 A 52 52 VAL N N 52 121.483 122.948 -1.465 1
1 163 . 10 1 1 A 53 53 ASP H H 53 8.640 8.198 0.442 1
1 164 . 10 1 1 A 53 53 ASP HA H 53 4.199 4.617 -0.418 1
1 167 . 10 1 1 A 53 53 ASP C C 53 178.904 179.604 -0.700 1
1 168 . 10 1 1 A 53 53 ASP CA C 53 56.797 57.376 -0.579 1
1 169 . 10 1 1 A 53 53 ASP CB C 53 39.068 40.613 -1.545 1
1 170 . 10 1 1 A 53 53 ASP N N 53 116.987 122.325 -5.338 1
1 171 . 10 1 1 A 54 54 GLU H H 54 7.028 8.125 -1.097 1
1 172 . 10 1 1 A 54 54 GLU HA H 54 4.017 4.191 -0.174 1
1 176 . 10 1 1 A 54 54 GLU C C 54 178.696 179.188 -0.492 1
1 177 . 10 1 1 A 54 54 GLU CA C 54 58.261 58.964 -0.703 1
1 178 . 10 1 1 A 54 54 GLU CB C 54 30.742 29.910 0.832 1
1 180 . 10 1 1 A 54 54 GLU N N 54 119.862 120.784 -0.922 1
1 181 . 10 1 1 A 55 55 ILE H H 55 7.639 7.791 -0.152 1
1 182 . 10 1 1 A 55 55 ILE HA H 55 3.345 3.833 -0.488 1
1 192 . 10 1 1 A 55 55 ILE C C 55 177.945 177.662 0.283 1
1 193 . 10 1 1 A 55 55 ILE CA C 55 64.533 64.529 0.004 1
1 194 . 10 1 1 A 55 55 ILE CB C 55 38.824 37.522 1.302 1
1 198 . 10 1 1 A 55 55 ILE N N 55 118.743 119.845 -1.102 1
1 199 . 10 1 1 A 56 56 TYR H H 56 8.548 8.091 0.457 1
1 200 . 10 1 1 A 56 56 TYR HA H 56 4.028 4.139 -0.111 1
1 207 . 10 1 1 A 56 56 TYR C C 56 177.279 178.063 -0.784 1
1 208 . 10 1 1 A 56 56 TYR CA C 56 61.046 62.113 -1.067 1
1 209 . 10 1 1 A 56 56 TYR CB C 56 38.746 38.519 0.227 1
1 210 . 10 1 1 A 56 56 TYR N N 56 117.394 124.244 -6.850 1
1 211 . 10 1 1 A 57 57 ALA H H 57 7.305 8.165 -0.860 1
1 212 . 10 1 1 A 57 57 ALA HA H 57 3.891 3.995 -0.104 1
1 216 . 10 1 1 A 57 57 ALA C C 57 178.515 178.537 -0.022 1
1 217 . 10 1 1 A 57 57 ALA CA C 57 53.867 54.496 -0.629 1
1 218 . 10 1 1 A 57 57 ALA CB C 57 18.567 18.213 0.354 1
1 219 . 10 1 1 A 57 57 ALA N N 57 116.845 121.400 -4.555 1
1 220 . 10 1 1 A 58 58 GLN H H 58 7.182 7.823 -0.641 1
1 221 . 10 1 1 A 58 58 GLN HA H 58 4.182 4.299 -0.117 1
1 228 . 10 1 1 A 58 58 GLN C C 58 176.015 175.226 0.789 1
1 229 . 10 1 1 A 58 58 GLN CA C 58 54.679 56.880 -2.201 1
1 230 . 10 1 1 A 58 58 GLN CB C 58 29.584 29.385 0.199 1
1 232 . 10 1 1 A 58 58 GLN N N 58 113.228 114.317 -1.089 1
1 234 . 10 1 1 A 59 59 ILE H H 59 7.051 7.617 -0.566 1
1 235 . 10 1 1 A 59 59 ILE HA H 59 3.829 4.216 -0.387 1
1 245 . 10 1 1 A 59 59 ILE CA C 59 57.557 57.883 -0.326 1
1 246 . 10 1 1 A 59 59 ILE CB C 59 36.090 38.625 -2.535 1
1 250 . 10 1 1 A 59 59 ILE N N 59 121.926 121.462 0.464 1
1 251 . 10 1 1 A 60 60 PRO HA H 60 4.049 4.654 -0.605 1
1 258 . 10 1 1 A 60 60 PRO CA C 60 63.775 62.052 1.723 1
1 259 . 10 1 1 A 60 60 PRO CB C 60 32.050 32.858 -0.808 1
1 262 . 10 1 1 A 61 61 GLN H H 61 8.772 8.541 0.231 1
1 263 . 10 1 1 A 61 61 GLN HA H 61 3.772 4.079 -0.307 1
1 270 . 10 1 1 A 61 61 GLN C C 61 178.654 177.585 1.069 1
1 271 . 10 1 1 A 61 61 GLN CA C 61 58.761 58.428 0.333 1
1 272 . 10 1 1 A 61 61 GLN CB C 61 28.318 28.415 -0.097 1
1 274 . 10 1 1 A 61 61 GLN N N 61 126.284 121.710 4.574 1
1 276 . 10 1 1 A 62 62 GLU H H 62 9.471 8.051 1.420 1
1 277 . 10 1 1 A 62 62 GLU HA H 62 3.971 4.122 -0.151 1
1 282 . 10 1 1 A 62 62 GLU C C 62 177.376 177.354 0.022 1
1 283 . 10 1 1 A 62 62 GLU CA C 62 58.072 58.683 -0.611 1
1 284 . 10 1 1 A 62 62 GLU CB C 62 28.164 29.425 -1.261 1
1 286 . 10 1 1 A 62 62 GLU N N 62 118.102 118.829 -0.727 1
1 287 . 10 1 1 A 63 63 LEU H H 63 6.792 7.519 -0.727 1
1 288 . 10 1 1 A 63 63 LEU HA H 63 3.717 4.173 -0.456 1
1 298 . 10 1 1 A 63 63 LEU C C 63 176.570 176.343 0.227 1
1 299 . 10 1 1 A 63 63 LEU CA C 63 56.173 54.570 1.603 1
1 300 . 10 1 1 A 63 63 LEU CB C 63 39.610 42.213 -2.603 1
1 304 . 10 1 1 A 63 63 LEU N N 63 118.573 117.857 0.716 1
1 305 . 10 1 1 A 64 64 GLU H H 64 7.589 7.928 -0.339 1
1 306 . 10 1 1 A 64 64 GLU HA H 64 3.782 4.010 -0.228 1
1 311 . 10 1 1 A 64 64 GLU C C 64 176.723 175.844 0.879 1
1 312 . 10 1 1 A 64 64 GLU CA C 64 57.031 58.010 -0.979 1
1 313 . 10 1 1 A 64 64 GLU CB C 64 26.951 27.874 -0.923 1
1 315 . 10 1 1 A 64 64 GLU N N 64 112.960 115.891 -2.931 1
1 316 . 10 1 1 A 65 65 TRP H H 65 8.340 7.953 0.387 1
1 317 . 10 1 1 A 65 65 TRP HA H 65 5.097 4.629 0.468 1
1 323 . 10 1 1 A 65 65 TRP CA C 65 54.697 58.352 -3.655 1
1 324 . 10 1 1 A 65 65 TRP CB C 65 30.450 29.826 0.624 1
1 325 . 10 1 1 A 65 65 TRP N N 65 119.866 121.708 -1.842 1
1 327 . 10 1 1 A 66 66 SER HA H 66 4.700 4.516 0.184 1
1 330 . 10 1 1 A 66 66 SER CA C 66 56.340 58.655 -2.315 1
1 331 . 10 1 1 A 66 66 SER CB C 66 66.184 63.625 2.559 1
1 332 . 10 1 1 A 67 67 LEU H H 67 8.622 8.603 0.019 1
1 333 . 10 1 1 A 67 67 LEU HA H 67 3.357 3.349 0.008 1
1 343 . 10 1 1 A 67 67 LEU C C 67 178.779 178.422 0.357 1
1 344 . 10 1 1 A 67 67 LEU CA C 67 58.385 57.983 0.402 1
1 345 . 10 1 1 A 67 67 LEU CB C 67 41.218 40.911 0.307 1
1 349 . 10 1 1 A 67 67 LEU N N 67 123.216 128.355 -5.139 1
1 350 . 10 1 1 A 68 68 ALA H H 68 7.987 7.993 -0.006 1
1 351 . 10 1 1 A 68 68 ALA HA H 68 3.766 3.973 -0.207 1
1 355 . 10 1 1 A 68 68 ALA C C 68 180.626 179.898 0.728 1
1 356 . 10 1 1 A 68 68 ALA CA C 68 55.431 54.943 0.488 1
1 357 . 10 1 1 A 68 68 ALA CB C 68 17.780 18.095 -0.315 1
1 358 . 10 1 1 A 68 68 ALA N N 68 119.912 120.751 -0.839 1
1 359 . 10 1 1 A 69 69 THR H H 69 7.781 7.891 -0.110 1
1 360 . 10 1 1 A 69 69 THR HA H 69 3.477 3.761 -0.284 1
1 365 . 10 1 1 A 69 69 THR C C 69 176.154 176.046 0.108 1
1 366 . 10 1 1 A 69 69 THR CA C 69 66.975 66.898 0.077 1
1 367 . 10 1 1 A 69 69 THR CB C 69 68.525 68.240 0.285 1
1 369 . 10 1 1 A 69 69 THR N N 69 118.256 114.766 3.490 1
1 370 . 10 1 1 A 70 70 VAL H H 70 7.373 8.114 -0.741 1
1 371 . 10 1 1 A 70 70 VAL HA H 70 3.201 3.711 -0.510 1
1 379 . 10 1 1 A 70 70 VAL C C 70 177.265 177.630 -0.365 1
1 380 . 10 1 1 A 70 70 VAL CA C 70 67.795 65.158 2.637 1
1 381 . 10 1 1 A 70 70 VAL CB C 70 31.342 31.390 -0.048 1
1 384 . 10 1 1 A 70 70 VAL N N 70 120.502 119.909 0.593 1
1 385 . 10 1 1 A 71 71 LYS H H 71 8.521 7.320 1.201 1
1 386 . 10 1 1 A 71 71 LYS HA H 71 3.659 3.840 -0.181 1
1 395 . 10 1 1 A 71 71 LYS C C 71 180.154 179.296 0.858 1
1 396 . 10 1 1 A 71 71 LYS CA C 71 61.155 59.443 1.712 1
1 397 . 10 1 1 A 71 71 LYS CB C 71 32.114 32.232 -0.118 1
1 401 . 10 1 1 A 71 71 LYS N N 71 118.966 122.132 -3.166 1
1 402 . 10 1 1 A 72 72 THR H H 72 8.160 7.613 0.547 1
1 403 . 10 1 1 A 72 72 THR HA H 72 3.747 4.011 -0.264 1
1 408 . 10 1 1 A 72 72 THR C C 72 177.209 176.505 0.704 1
1 409 . 10 1 1 A 72 72 THR CA C 72 66.978 65.407 1.571 1
1 410 . 10 1 1 A 72 72 THR CB C 72 68.268 68.554 -0.286 1
1 412 . 10 1 1 A 72 72 THR N N 72 119.017 114.386 4.631 1
1 413 . 10 1 1 A 73 73 LEU H H 73 7.753 8.243 -0.490 1
1 414 . 10 1 1 A 73 73 LEU HA H 73 3.682 3.989 -0.307 1
1 424 . 10 1 1 A 73 73 LEU C C 73 178.821 178.335 0.486 1
1 425 . 10 1 1 A 73 73 LEU CA C 73 58.671 58.035 0.636 1
1 426 . 10 1 1 A 73 73 LEU CB C 73 42.182 41.499 0.683 1
1 430 . 10 1 1 A 73 73 LEU N N 73 123.340 122.617 0.723 1
1 431 . 10 1 1 A 74 74 LEU H H 74 8.341 8.541 -0.200 1
1 432 . 10 1 1 A 74 74 LEU HA H 74 3.551 3.834 -0.283 1
1 442 . 10 1 1 A 74 74 LEU C C 74 178.832 179.162 -0.330 1
1 443 . 10 1 1 A 74 74 LEU CA C 74 58.293 58.353 -0.060 1
1 444 . 10 1 1 A 74 74 LEU CB C 74 40.530 41.271 -0.741 1
1 448 . 10 1 1 A 74 74 LEU N N 74 118.538 119.276 -0.738 1
1 449 . 10 1 1 A 75 75 GLY H H 75 7.780 7.751 0.029 1
1 450 . 10 1 1 A 75 75 GLY HA2 H 75 3.648 3.821 -0.173 1
1 451 . 10 1 1 A 75 75 GLY HA3 H 75 3.767 3.853 -0.086 1
1 452 . 10 1 1 A 75 75 GLY C C 75 177.626 176.327 1.299 1
1 453 . 10 1 1 A 75 75 GLY CA C 75 47.290 46.986 0.304 1
1 454 . 10 1 1 A 75 75 GLY N N 75 103.878 104.978 -1.100 1
1 455 . 10 1 1 A 76 76 ARG H H 76 7.637 7.885 -0.248 1
1 456 . 10 1 1 A 76 76 ARG HA H 76 3.908 4.049 -0.141 1
1 463 . 10 1 1 A 76 76 ARG C C 76 179.001 178.756 0.245 1
1 464 . 10 1 1 A 76 76 ARG CA C 76 59.378 58.959 0.419 1
1 465 . 10 1 1 A 76 76 ARG CB C 76 30.767 30.107 0.660 1
1 468 . 10 1 1 A 76 76 ARG N N 76 122.469 122.401 0.068 1
1 469 . 10 1 1 A 77 77 LEU H H 77 7.922 8.081 -0.159 1
1 470 . 10 1 1 A 77 77 LEU HA H 77 3.812 4.176 -0.364 1
1 480 . 10 1 1 A 77 77 LEU C C 77 179.835 179.975 -0.140 1
1 481 . 10 1 1 A 77 77 LEU CA C 77 58.306 58.128 0.178 1
1 482 . 10 1 1 A 77 77 LEU CB C 77 42.365 41.908 0.457 1
1 486 . 10 1 1 A 77 77 LEU N N 77 120.640 120.699 -0.059 1
1 487 . 10 1 1 A 78 78 VAL H H 78 8.287 8.269 0.018 1
1 488 . 10 1 1 A 78 78 VAL HA H 78 3.950 3.904 0.046 1
1 496 . 10 1 1 A 78 78 VAL C C 78 181.099 178.130 2.969 1
1 497 . 10 1 1 A 78 78 VAL CA C 78 66.044 65.850 0.194 1
1 498 . 10 1 1 A 78 78 VAL CB C 78 32.287 31.486 0.801 1
1 501 . 10 1 1 A 78 78 VAL N N 78 121.179 114.530 6.649 1
1 502 . 10 1 1 A 79 79 LYS H H 79 7.836 7.786 0.050 1
1 503 . 10 1 1 A 79 79 LYS HA H 79 4.004 4.204 -0.200 1
1 512 . 10 1 1 A 79 79 LYS CA C 79 59.189 58.659 0.530 1
1 513 . 10 1 1 A 79 79 LYS CB C 79 29.238 32.250 -3.012 1
1 517 . 10 1 1 A 79 79 LYS N N 79 123.239 120.837 2.402 1
1 518 . 10 1 1 A 80 80 LYS HA H 80 4.179 4.324 -0.145 1
1 521 . 10 1 1 A 80 80 LYS CA C 80 57.269 57.699 -0.430 1
1 522 . 10 1 1 A 80 80 LYS CB C 80 31.067 32.994 -1.927 1
1 523 . 10 1 1 A 81 81 GLU H H 81 7.801 7.829 -0.028 1
1 524 . 10 1 1 A 81 81 GLU HA H 81 4.513 4.645 -0.132 1
1 527 . 10 1 1 A 81 81 GLU CA C 81 57.915 56.486 1.429 1
1 528 . 10 1 1 A 81 81 GLU CB C 81 26.150 32.972 -6.822 1
1 529 . 10 1 1 A 81 81 GLU N N 81 126.946 116.357 10.589 1
1 530 . 10 1 1 A 82 82 MET H H 82 7.978 7.977 0.001 1
1 531 . 10 1 1 A 82 82 MET HA H 82 3.781 4.282 -0.501 1
1 536 . 10 1 1 A 82 82 MET C C 82 176.695 176.504 0.191 1
1 537 . 10 1 1 A 82 82 MET CA C 82 57.599 58.640 -1.041 1
1 538 . 10 1 1 A 82 82 MET CB C 82 33.067 33.704 -0.637 1
1 540 . 10 1 1 A 82 82 MET N N 82 112.370 118.748 -6.378 1
1 541 . 10 1 1 A 83 83 LEU H H 83 6.928 7.762 -0.834 1
1 542 . 10 1 1 A 83 83 LEU HA H 83 5.042 4.728 0.314 1
1 548 . 10 1 1 A 83 83 LEU C C 83 175.376 174.379 0.997 1
1 549 . 10 1 1 A 83 83 LEU CA C 83 52.193 53.725 -1.532 1
1 550 . 10 1 1 A 83 83 LEU CB C 83 48.040 44.345 3.695 1
1 553 . 10 1 1 A 83 83 LEU N N 83 116.646 114.503 2.143 1
1 554 . 10 1 1 A 84 84 SER H H 84 9.089 8.489 0.600 1
1 555 . 10 1 1 A 84 84 SER HA H 84 4.711 5.574 -0.863 1
1 558 . 10 1 1 A 84 84 SER C C 84 173.496 173.198 0.298 1
1 559 . 10 1 1 A 84 84 SER CA C 84 56.311 57.234 -0.923 1
1 560 . 10 1 1 A 84 84 SER CB C 84 65.943 66.918 -0.975 1
1 561 . 10 1 1 A 84 84 SER N N 84 115.366 115.013 0.353 1
1 562 . 10 1 1 A 85 85 THR H H 85 8.091 8.770 -0.679 1
1 563 . 10 1 1 A 85 85 THR HA H 85 5.036 5.117 -0.081 1
1 568 . 10 1 1 A 85 85 THR C C 85 173.844 172.436 1.408 1
1 569 . 10 1 1 A 85 85 THR CA C 85 58.919 60.022 -1.103 1
1 570 . 10 1 1 A 85 85 THR CB C 85 71.518 71.470 0.048 1
1 572 . 10 1 1 A 85 85 THR N N 85 110.842 115.846 -5.004 1
1 573 . 10 1 1 A 86 86 GLU H H 86 8.128 8.901 -0.773 1
1 574 . 10 1 1 A 86 86 GLU HA H 86 4.413 5.022 -0.609 1
1 578 . 10 1 1 A 86 86 GLU C C 86 174.693 174.148 0.545 1
1 579 . 10 1 1 A 86 86 GLU CA C 86 54.405 54.471 -0.066 1
1 580 . 10 1 1 A 86 86 GLU CB C 86 33.099 33.722 -0.623 1
1 582 . 10 1 1 A 86 86 GLU N N 86 122.318 125.689 -3.371 1
1 583 . 10 1 1 A 87 87 LYS H H 87 8.622 8.710 -0.088 1
1 584 . 10 1 1 A 87 87 LYS HA H 87 4.153 4.641 -0.488 1
1 593 . 10 1 1 A 87 87 LYS C C 87 175.909 175.673 0.236 1
1 594 . 10 1 1 A 87 87 LYS CA C 87 56.403 54.371 2.032 1
1 595 . 10 1 1 A 87 87 LYS CB C 87 32.960 34.277 -1.317 1
1 599 . 10 1 1 A 87 87 LYS N N 87 124.854 123.827 1.027 1
1 600 . 10 1 1 A 88 88 GLU HA H 88 4.276 4.358 -0.082 1
1 604 . 10 1 1 A 88 88 GLU C C 88 175.998 177.857 -1.859 1
1 605 . 10 1 1 A 88 88 GLU CA C 88 55.362 56.330 -0.968 1
1 606 . 10 1 1 A 88 88 GLU CB C 88 30.945 31.215 -0.270 1
1 608 . 10 1 1 A 91 91 LYS H H 91 7.651 7.859 -0.208 1
1 609 . 10 1 1 A 91 91 LYS HA H 91 4.456 4.703 -0.247 1
1 616 . 10 1 1 A 91 91 LYS C C 91 174.960 175.504 -0.544 1
1 617 . 10 1 1 A 91 91 LYS CA C 91 54.992 54.086 0.906 1
1 618 . 10 1 1 A 91 91 LYS CB C 91 34.855 37.072 -2.217 1
1 622 . 10 1 1 A 91 91 LYS N N 91 119.096 118.138 0.958 1
1 623 . 10 1 1 A 92 92 PHE H H 92 7.904 8.862 -0.958 1
1 624 . 10 1 1 A 92 92 PHE HA H 92 4.772 4.618 0.154 1
1 631 . 10 1 1 A 92 92 PHE C C 92 175.183 175.554 -0.371 1
1 632 . 10 1 1 A 92 92 PHE CA C 92 57.762 58.563 -0.801 1
1 633 . 10 1 1 A 92 92 PHE CB C 92 40.747 39.912 0.835 1
1 634 . 10 1 1 A 92 92 PHE N N 92 118.936 119.043 -0.107 1
1 635 . 10 1 1 A 93 93 VAL H H 93 8.626 9.038 -0.412 1
1 636 . 10 1 1 A 93 93 VAL HA H 93 4.090 4.781 -0.691 1
1 644 . 10 1 1 A 93 93 VAL C C 93 174.856 174.500 0.356 1
1 645 . 10 1 1 A 93 93 VAL CA C 93 61.228 61.518 -0.290 1
1 646 . 10 1 1 A 93 93 VAL CB C 93 33.595 33.728 -0.133 1
1 648 . 10 1 1 A 93 93 VAL N N 93 120.649 121.731 -1.082 1
1 649 . 10 1 1 A 94 94 TYR H H 94 8.950 9.318 -0.368 1
1 650 . 10 1 1 A 94 94 TYR HA H 94 5.029 5.177 -0.148 1
1 657 . 10 1 1 A 94 94 TYR C C 94 175.242 175.811 -0.569 1
1 658 . 10 1 1 A 94 94 TYR CA C 94 57.619 57.486 0.133 1
1 659 . 10 1 1 A 94 94 TYR CB C 94 41.447 39.156 2.291 1
1 660 . 10 1 1 A 94 94 TYR N N 94 125.589 126.941 -1.352 1
1 661 . 10 1 1 A 95 95 ARG H H 95 8.275 8.804 -0.529 1
1 662 . 10 1 1 A 95 95 ARG HA H 95 5.001 5.113 -0.112 1
1 665 . 10 1 1 A 95 95 ARG CA C 95 53.055 53.901 -0.846 1
1 666 . 10 1 1 A 95 95 ARG N N 95 118.094 121.084 -2.990 1
1 670 . 10 1 1 A 96 96 PRO CA C 96 63.815 62.296 1.519 1
1 671 . 10 1 1 A 96 96 PRO CB C 96 33.778 32.167 1.611 1
1 673 . 10 1 1 A 97 97 LEU H H 97 7.862 8.592 -0.730 1
1 674 . 10 1 1 A 97 97 LEU HA H 97 4.054 4.886 -0.832 1
1 684 . 10 1 1 A 97 97 LEU CA C 97 55.208 53.398 1.810 1
1 685 . 10 1 1 A 97 97 LEU CB C 97 42.072 43.474 -1.402 1
1 1 . 11 1 1 A 36 36 ALA HA H 36 4.250 4.293 -0.043 1
1 5 . 11 1 1 A 36 36 ALA CA C 36 55.550 54.715 0.835 1
1 6 . 11 1 1 A 36 36 ALA CB C 36 19.203 18.544 0.659 1
1 7 . 11 1 1 A 39 39 ILE HA H 39 4.250 3.510 0.740 1
1 17 . 11 1 1 A 39 39 ILE CA C 39 58.724 65.289 -6.565 1
1 18 . 11 1 1 A 39 39 ILE CB C 39 38.496 37.869 0.627 1
1 22 . 11 1 1 A 40 40 VAL HA H 40 3.198 3.968 -0.770 1
1 30 . 11 1 1 A 40 40 VAL CA C 40 67.086 65.192 1.894 1
1 31 . 11 1 1 A 40 40 VAL CB C 40 30.969 31.479 -0.510 1
1 34 . 11 1 1 A 42 42 ARG HA H 42 3.770 4.572 -0.802 1
1 35 . 11 1 1 A 42 42 ARG CA C 42 55.107 56.757 -1.650 1
1 36 . 11 1 1 A 43 43 VAL H H 43 7.364 8.432 -1.068 1
1 37 . 11 1 1 A 43 43 VAL HA H 43 3.506 3.865 -0.359 1
1 45 . 11 1 1 A 43 43 VAL C C 43 178.600 178.817 -0.217 1
1 46 . 11 1 1 A 43 43 VAL CA C 43 66.598 65.494 1.104 1
1 47 . 11 1 1 A 43 43 VAL CB C 43 31.203 31.593 -0.390 1
1 50 . 11 1 1 A 43 43 VAL N N 43 119.765 118.058 1.707 1
1 51 . 11 1 1 A 44 44 ILE H H 44 7.829 8.061 -0.232 1
1 52 . 11 1 1 A 44 44 ILE HA H 44 3.242 3.829 -0.587 1
1 62 . 11 1 1 A 44 44 ILE C C 44 178.289 178.371 -0.082 1
1 63 . 11 1 1 A 44 44 ILE CA C 44 66.146 64.558 1.588 1
1 64 . 11 1 1 A 44 44 ILE CB C 44 36.869 36.487 0.382 1
1 68 . 11 1 1 A 44 44 ILE N N 44 120.991 121.883 -0.892 1
1 69 . 11 1 1 A 45 45 TRP H H 45 9.154 8.210 0.944 1
1 70 . 11 1 1 A 45 45 TRP HA H 45 4.377 4.131 0.246 1
1 77 . 11 1 1 A 45 45 TRP C C 45 179.154 178.846 0.308 1
1 78 . 11 1 1 A 45 45 TRP CA C 45 60.749 61.013 -0.264 1
1 79 . 11 1 1 A 45 45 TRP CB C 45 28.620 29.791 -1.171 1
1 80 . 11 1 1 A 45 45 TRP N N 45 119.877 123.185 -3.308 1
1 82 . 11 1 1 A 46 46 SER H H 46 7.556 7.640 -0.084 1
1 83 . 11 1 1 A 46 46 SER HA H 46 4.247 4.240 0.007 1
1 86 . 11 1 1 A 46 46 SER C C 46 175.737 177.430 -1.693 1
1 87 . 11 1 1 A 46 46 SER CA C 46 61.315 61.212 0.103 1
1 88 . 11 1 1 A 46 46 SER CB C 46 63.510 62.802 0.708 1
1 89 . 11 1 1 A 46 46 SER N N 46 113.170 114.670 -1.500 1
1 90 . 11 1 1 A 47 47 LEU H H 47 7.667 7.694 -0.027 1
1 91 . 11 1 1 A 47 47 LEU HA H 47 4.274 4.057 0.217 1
1 101 . 11 1 1 A 47 47 LEU C C 47 178.987 176.747 2.240 1
1 102 . 11 1 1 A 47 47 LEU CA C 47 55.835 56.567 -0.732 1
1 103 . 11 1 1 A 47 47 LEU CB C 47 43.548 42.620 0.928 1
1 107 . 11 1 1 A 47 47 LEU N N 47 120.838 120.025 0.813 1
1 108 . 11 1 1 A 48 48 GLY H H 48 8.656 8.366 0.290 1
1 109 . 11 1 1 A 48 48 GLY HA2 H 48 4.373 3.850 0.523 1
1 110 . 11 1 1 A 48 48 GLY HA3 H 48 3.296 3.904 -0.608 1
1 111 . 11 1 1 A 48 48 GLY C C 48 173.625 173.349 0.276 1
1 112 . 11 1 1 A 48 48 GLY CA C 48 46.944 45.127 1.817 1
1 113 . 11 1 1 A 48 48 GLY N N 48 113.217 106.408 6.809 1
1 114 . 11 1 1 A 49 49 GLU H H 49 7.347 7.921 -0.574 1
1 115 . 11 1 1 A 49 49 GLU HA H 49 4.830 5.028 -0.198 1
1 120 . 11 1 1 A 49 49 GLU C C 49 174.973 174.496 0.477 1
1 121 . 11 1 1 A 49 49 GLU CA C 49 55.026 55.229 -0.203 1
1 122 . 11 1 1 A 49 49 GLU CB C 49 31.947 33.357 -1.410 1
1 124 . 11 1 1 A 49 49 GLU N N 49 116.219 121.368 -5.149 1
1 125 . 11 1 1 A 50 50 ALA H H 50 8.598 8.191 0.407 1
1 126 . 11 1 1 A 50 50 ALA HA H 50 4.817 4.940 -0.123 1
1 130 . 11 1 1 A 50 50 ALA C C 50 176.042 176.214 -0.172 1
1 131 . 11 1 1 A 50 50 ALA CA C 50 52.189 50.952 1.237 1
1 132 . 11 1 1 A 50 50 ALA CB C 50 24.738 23.222 1.516 1
1 133 . 11 1 1 A 50 50 ALA N N 50 122.121 126.519 -4.398 1
1 134 . 11 1 1 A 51 51 ARG H H 51 8.935 8.833 0.102 1
1 135 . 11 1 1 A 51 51 ARG HA H 51 5.098 4.706 0.392 1
1 142 . 11 1 1 A 51 51 ARG C C 51 178.696 177.997 0.699 1
1 143 . 11 1 1 A 51 51 ARG CA C 51 54.995 55.597 -0.602 1
1 144 . 11 1 1 A 51 51 ARG CB C 51 32.605 31.123 1.482 1
1 147 . 11 1 1 A 51 51 ARG N N 51 121.019 120.940 0.079 1
1 148 . 11 1 1 A 52 52 VAL H H 52 9.767 8.638 1.129 1
1 149 . 11 1 1 A 52 52 VAL HA H 52 3.494 3.956 -0.462 1
1 157 . 11 1 1 A 52 52 VAL C C 52 176.292 177.299 -1.007 1
1 158 . 11 1 1 A 52 52 VAL CA C 52 67.295 65.329 1.966 1
1 159 . 11 1 1 A 52 52 VAL CB C 52 31.427 31.755 -0.328 1
1 162 . 11 1 1 A 52 52 VAL N N 52 121.483 123.505 -2.022 1
1 163 . 11 1 1 A 53 53 ASP H H 53 8.640 8.040 0.600 1
1 164 . 11 1 1 A 53 53 ASP HA H 53 4.199 4.568 -0.369 1
1 167 . 11 1 1 A 53 53 ASP C C 53 178.904 179.307 -0.403 1
1 168 . 11 1 1 A 53 53 ASP CA C 53 56.797 57.111 -0.314 1
1 169 . 11 1 1 A 53 53 ASP CB C 53 39.068 40.635 -1.567 1
1 170 . 11 1 1 A 53 53 ASP N N 53 116.987 122.027 -5.040 1
1 171 . 11 1 1 A 54 54 GLU H H 54 7.028 8.082 -1.054 1
1 172 . 11 1 1 A 54 54 GLU HA H 54 4.017 4.259 -0.242 1
1 176 . 11 1 1 A 54 54 GLU C C 54 178.696 179.025 -0.329 1
1 177 . 11 1 1 A 54 54 GLU CA C 54 58.261 58.934 -0.673 1
1 178 . 11 1 1 A 54 54 GLU CB C 54 30.742 29.645 1.097 1
1 180 . 11 1 1 A 54 54 GLU N N 54 119.862 120.549 -0.687 1
1 181 . 11 1 1 A 55 55 ILE H H 55 7.639 8.124 -0.485 1
1 182 . 11 1 1 A 55 55 ILE HA H 55 3.345 3.886 -0.541 1
1 192 . 11 1 1 A 55 55 ILE C C 55 177.945 177.589 0.356 1
1 193 . 11 1 1 A 55 55 ILE CA C 55 64.533 64.460 0.073 1
1 194 . 11 1 1 A 55 55 ILE CB C 55 38.824 37.739 1.085 1
1 198 . 11 1 1 A 55 55 ILE N N 55 118.743 119.553 -0.810 1
1 199 . 11 1 1 A 56 56 TYR H H 56 8.548 8.142 0.406 1
1 200 . 11 1 1 A 56 56 TYR HA H 56 4.028 4.132 -0.104 1
1 207 . 11 1 1 A 56 56 TYR C C 56 177.279 178.111 -0.832 1
1 208 . 11 1 1 A 56 56 TYR CA C 56 61.046 62.017 -0.971 1
1 209 . 11 1 1 A 56 56 TYR CB C 56 38.746 38.620 0.126 1
1 210 . 11 1 1 A 56 56 TYR N N 56 117.394 124.240 -6.846 1
1 211 . 11 1 1 A 57 57 ALA H H 57 7.305 8.274 -0.969 1
1 212 . 11 1 1 A 57 57 ALA HA H 57 3.891 4.215 -0.324 1
1 216 . 11 1 1 A 57 57 ALA C C 57 178.515 178.886 -0.371 1
1 217 . 11 1 1 A 57 57 ALA CA C 57 53.867 54.885 -1.018 1
1 218 . 11 1 1 A 57 57 ALA CB C 57 18.567 18.254 0.313 1
1 219 . 11 1 1 A 57 57 ALA N N 57 116.845 121.608 -4.763 1
1 220 . 11 1 1 A 58 58 GLN H H 58 7.182 7.566 -0.384 1
1 221 . 11 1 1 A 58 58 GLN HA H 58 4.182 4.286 -0.104 1
1 228 . 11 1 1 A 58 58 GLN C C 58 176.015 174.582 1.433 1
1 229 . 11 1 1 A 58 58 GLN CA C 58 54.679 56.335 -1.656 1
1 230 . 11 1 1 A 58 58 GLN CB C 58 29.584 29.290 0.294 1
1 232 . 11 1 1 A 58 58 GLN N N 58 113.228 114.288 -1.060 1
1 234 . 11 1 1 A 59 59 ILE H H 59 7.051 7.506 -0.455 1
1 235 . 11 1 1 A 59 59 ILE HA H 59 3.829 4.247 -0.418 1
1 245 . 11 1 1 A 59 59 ILE CA C 59 57.557 57.802 -0.245 1
1 246 . 11 1 1 A 59 59 ILE CB C 59 36.090 38.586 -2.496 1
1 250 . 11 1 1 A 59 59 ILE N N 59 121.926 120.292 1.634 1
1 251 . 11 1 1 A 60 60 PRO HA H 60 4.049 4.624 -0.575 1
1 258 . 11 1 1 A 60 60 PRO CA C 60 63.775 62.120 1.655 1
1 259 . 11 1 1 A 60 60 PRO CB C 60 32.050 32.883 -0.833 1
1 262 . 11 1 1 A 61 61 GLN H H 61 8.772 8.985 -0.213 1
1 263 . 11 1 1 A 61 61 GLN HA H 61 3.772 3.988 -0.216 1
1 270 . 11 1 1 A 61 61 GLN C C 61 178.654 177.326 1.328 1
1 271 . 11 1 1 A 61 61 GLN CA C 61 58.761 58.942 -0.181 1
1 272 . 11 1 1 A 61 61 GLN CB C 61 28.318 28.305 0.013 1
1 274 . 11 1 1 A 61 61 GLN N N 61 126.284 122.214 4.070 1
1 276 . 11 1 1 A 62 62 GLU H H 62 9.471 8.057 1.414 1
1 277 . 11 1 1 A 62 62 GLU HA H 62 3.971 3.993 -0.022 1
1 282 . 11 1 1 A 62 62 GLU C C 62 177.376 178.049 -0.673 1
1 283 . 11 1 1 A 62 62 GLU CA C 62 58.072 58.814 -0.742 1
1 284 . 11 1 1 A 62 62 GLU CB C 62 28.164 29.499 -1.335 1
1 286 . 11 1 1 A 62 62 GLU N N 62 118.102 118.698 -0.596 1
1 287 . 11 1 1 A 63 63 LEU H H 63 6.792 7.417 -0.625 1
1 288 . 11 1 1 A 63 63 LEU HA H 63 3.717 3.973 -0.256 1
1 298 . 11 1 1 A 63 63 LEU C C 63 176.570 175.991 0.579 1
1 299 . 11 1 1 A 63 63 LEU CA C 63 56.173 54.530 1.643 1
1 300 . 11 1 1 A 63 63 LEU CB C 63 39.610 41.677 -2.067 1
1 304 . 11 1 1 A 63 63 LEU N N 63 118.573 118.311 0.262 1
1 305 . 11 1 1 A 64 64 GLU H H 64 7.589 7.896 -0.307 1
1 306 . 11 1 1 A 64 64 GLU HA H 64 3.782 3.990 -0.208 1
1 311 . 11 1 1 A 64 64 GLU C C 64 176.723 175.948 0.775 1
1 312 . 11 1 1 A 64 64 GLU CA C 64 57.031 58.145 -1.114 1
1 313 . 11 1 1 A 64 64 GLU CB C 64 26.951 27.931 -0.980 1
1 315 . 11 1 1 A 64 64 GLU N N 64 112.960 115.621 -2.661 1
1 316 . 11 1 1 A 65 65 TRP H H 65 8.340 7.852 0.488 1
1 317 . 11 1 1 A 65 65 TRP HA H 65 5.097 4.638 0.459 1
1 323 . 11 1 1 A 65 65 TRP CA C 65 54.697 57.992 -3.295 1
1 324 . 11 1 1 A 65 65 TRP CB C 65 30.450 29.432 1.018 1
1 325 . 11 1 1 A 65 65 TRP N N 65 119.866 121.687 -1.821 1
1 327 . 11 1 1 A 66 66 SER HA H 66 4.700 4.621 0.079 1
1 330 . 11 1 1 A 66 66 SER CA C 66 56.340 58.797 -2.457 1
1 331 . 11 1 1 A 66 66 SER CB C 66 66.184 63.951 2.233 1
1 332 . 11 1 1 A 67 67 LEU H H 67 8.622 8.725 -0.103 1
1 333 . 11 1 1 A 67 67 LEU HA H 67 3.357 3.925 -0.568 1
1 343 . 11 1 1 A 67 67 LEU C C 67 178.779 178.436 0.343 1
1 344 . 11 1 1 A 67 67 LEU CA C 67 58.385 58.343 0.042 1
1 345 . 11 1 1 A 67 67 LEU CB C 67 41.218 41.083 0.135 1
1 349 . 11 1 1 A 67 67 LEU N N 67 123.216 128.913 -5.697 1
1 350 . 11 1 1 A 68 68 ALA H H 68 7.987 8.169 -0.182 1
1 351 . 11 1 1 A 68 68 ALA HA H 68 3.766 4.056 -0.290 1
1 355 . 11 1 1 A 68 68 ALA C C 68 180.626 179.921 0.705 1
1 356 . 11 1 1 A 68 68 ALA CA C 68 55.431 54.733 0.698 1
1 357 . 11 1 1 A 68 68 ALA CB C 68 17.780 18.102 -0.322 1
1 358 . 11 1 1 A 68 68 ALA N N 68 119.912 119.868 0.044 1
1 359 . 11 1 1 A 69 69 THR H H 69 7.781 8.068 -0.287 1
1 360 . 11 1 1 A 69 69 THR HA H 69 3.477 3.783 -0.306 1
1 365 . 11 1 1 A 69 69 THR C C 69 176.154 175.899 0.255 1
1 366 . 11 1 1 A 69 69 THR CA C 69 66.975 66.757 0.218 1
1 367 . 11 1 1 A 69 69 THR CB C 69 68.525 68.273 0.252 1
1 369 . 11 1 1 A 69 69 THR N N 69 118.256 114.814 3.442 1
1 370 . 11 1 1 A 70 70 VAL H H 70 7.373 7.903 -0.530 1
1 371 . 11 1 1 A 70 70 VAL HA H 70 3.201 3.690 -0.489 1
1 379 . 11 1 1 A 70 70 VAL C C 70 177.265 177.656 -0.391 1
1 380 . 11 1 1 A 70 70 VAL CA C 70 67.795 65.079 2.716 1
1 381 . 11 1 1 A 70 70 VAL CB C 70 31.342 31.191 0.151 1
1 384 . 11 1 1 A 70 70 VAL N N 70 120.502 120.171 0.331 1
1 385 . 11 1 1 A 71 71 LYS H H 71 8.521 7.502 1.019 1
1 386 . 11 1 1 A 71 71 LYS HA H 71 3.659 3.861 -0.202 1
1 395 . 11 1 1 A 71 71 LYS C C 71 180.154 178.966 1.188 1
1 396 . 11 1 1 A 71 71 LYS CA C 71 61.155 59.561 1.594 1
1 397 . 11 1 1 A 71 71 LYS CB C 71 32.114 32.261 -0.147 1
1 401 . 11 1 1 A 71 71 LYS N N 71 118.966 122.536 -3.570 1
1 402 . 11 1 1 A 72 72 THR H H 72 8.160 7.460 0.700 1
1 403 . 11 1 1 A 72 72 THR HA H 72 3.747 3.978 -0.231 1
1 408 . 11 1 1 A 72 72 THR C C 72 177.209 176.485 0.724 1
1 409 . 11 1 1 A 72 72 THR CA C 72 66.978 65.440 1.538 1
1 410 . 11 1 1 A 72 72 THR CB C 72 68.268 68.839 -0.571 1
1 412 . 11 1 1 A 72 72 THR N N 72 119.017 113.281 5.736 1
1 413 . 11 1 1 A 73 73 LEU H H 73 7.753 8.088 -0.335 1
1 414 . 11 1 1 A 73 73 LEU HA H 73 3.682 3.947 -0.265 1
1 424 . 11 1 1 A 73 73 LEU C C 73 178.821 178.660 0.161 1
1 425 . 11 1 1 A 73 73 LEU CA C 73 58.671 58.291 0.380 1
1 426 . 11 1 1 A 73 73 LEU CB C 73 42.182 41.605 0.577 1
1 430 . 11 1 1 A 73 73 LEU N N 73 123.340 122.579 0.761 1
1 431 . 11 1 1 A 74 74 LEU H H 74 8.341 8.494 -0.153 1
1 432 . 11 1 1 A 74 74 LEU HA H 74 3.551 3.865 -0.314 1
1 442 . 11 1 1 A 74 74 LEU C C 74 178.832 179.339 -0.507 1
1 443 . 11 1 1 A 74 74 LEU CA C 74 58.293 58.347 -0.054 1
1 444 . 11 1 1 A 74 74 LEU CB C 74 40.530 41.287 -0.757 1
1 448 . 11 1 1 A 74 74 LEU N N 74 118.538 119.138 -0.600 1
1 449 . 11 1 1 A 75 75 GLY H H 75 7.780 7.848 -0.068 1
1 450 . 11 1 1 A 75 75 GLY HA2 H 75 3.648 3.889 -0.241 1
1 451 . 11 1 1 A 75 75 GLY HA3 H 75 3.767 3.914 -0.147 1
1 452 . 11 1 1 A 75 75 GLY C C 75 177.626 176.652 0.974 1
1 453 . 11 1 1 A 75 75 GLY CA C 75 47.290 46.865 0.425 1
1 454 . 11 1 1 A 75 75 GLY N N 75 103.878 104.934 -1.056 1
1 455 . 11 1 1 A 76 76 ARG H H 76 7.637 7.938 -0.301 1
1 456 . 11 1 1 A 76 76 ARG HA H 76 3.908 4.053 -0.145 1
1 463 . 11 1 1 A 76 76 ARG C C 76 179.001 178.679 0.322 1
1 464 . 11 1 1 A 76 76 ARG CA C 76 59.378 59.043 0.335 1
1 465 . 11 1 1 A 76 76 ARG CB C 76 30.767 30.312 0.455 1
1 468 . 11 1 1 A 76 76 ARG N N 76 122.469 122.443 0.026 1
1 469 . 11 1 1 A 77 77 LEU H H 77 7.922 8.070 -0.148 1
1 470 . 11 1 1 A 77 77 LEU HA H 77 3.812 4.143 -0.331 1
1 480 . 11 1 1 A 77 77 LEU C C 77 179.835 179.187 0.648 1
1 481 . 11 1 1 A 77 77 LEU CA C 77 58.306 58.134 0.172 1
1 482 . 11 1 1 A 77 77 LEU CB C 77 42.365 41.988 0.377 1
1 486 . 11 1 1 A 77 77 LEU N N 77 120.640 120.368 0.272 1
1 487 . 11 1 1 A 78 78 VAL H H 78 8.287 8.295 -0.008 1
1 488 . 11 1 1 A 78 78 VAL HA H 78 3.950 3.901 0.049 1
1 496 . 11 1 1 A 78 78 VAL C C 78 181.099 178.325 2.774 1
1 497 . 11 1 1 A 78 78 VAL CA C 78 66.044 66.000 0.044 1
1 498 . 11 1 1 A 78 78 VAL CB C 78 32.287 31.645 0.642 1
1 501 . 11 1 1 A 78 78 VAL N N 78 121.179 115.161 6.018 1
1 502 . 11 1 1 A 79 79 LYS H H 79 7.836 7.841 -0.005 1
1 503 . 11 1 1 A 79 79 LYS HA H 79 4.004 4.186 -0.182 1
1 512 . 11 1 1 A 79 79 LYS CA C 79 59.189 58.669 0.520 1
1 513 . 11 1 1 A 79 79 LYS CB C 79 29.238 32.391 -3.153 1
1 517 . 11 1 1 A 79 79 LYS N N 79 123.239 120.948 2.291 1
1 518 . 11 1 1 A 80 80 LYS HA H 80 4.179 4.467 -0.288 1
1 521 . 11 1 1 A 80 80 LYS CA C 80 57.269 55.364 1.905 1
1 522 . 11 1 1 A 80 80 LYS CB C 80 31.067 32.602 -1.535 1
1 523 . 11 1 1 A 81 81 GLU H H 81 7.801 7.793 0.008 1
1 524 . 11 1 1 A 81 81 GLU HA H 81 4.513 4.050 0.463 1
1 527 . 11 1 1 A 81 81 GLU CA C 81 57.915 57.759 0.156 1
1 528 . 11 1 1 A 81 81 GLU CB C 81 26.150 29.445 -3.295 1
1 529 . 11 1 1 A 81 81 GLU N N 81 126.946 119.458 7.488 1
1 530 . 11 1 1 A 82 82 MET H H 82 7.978 8.023 -0.045 1
1 531 . 11 1 1 A 82 82 MET HA H 82 3.781 4.396 -0.615 1
1 536 . 11 1 1 A 82 82 MET C C 82 176.695 176.101 0.594 1
1 537 . 11 1 1 A 82 82 MET CA C 82 57.599 58.230 -0.631 1
1 538 . 11 1 1 A 82 82 MET CB C 82 33.067 33.625 -0.558 1
1 540 . 11 1 1 A 82 82 MET N N 82 112.370 118.294 -5.924 1
1 541 . 11 1 1 A 83 83 LEU H H 83 6.928 7.681 -0.753 1
1 542 . 11 1 1 A 83 83 LEU HA H 83 5.042 4.883 0.159 1
1 548 . 11 1 1 A 83 83 LEU C C 83 175.376 175.536 -0.160 1
1 549 . 11 1 1 A 83 83 LEU CA C 83 52.193 53.026 -0.833 1
1 550 . 11 1 1 A 83 83 LEU CB C 83 48.040 45.792 2.248 1
1 553 . 11 1 1 A 83 83 LEU N N 83 116.646 117.684 -1.038 1
1 554 . 11 1 1 A 84 84 SER H H 84 9.089 8.745 0.344 1
1 555 . 11 1 1 A 84 84 SER HA H 84 4.711 5.302 -0.591 1
1 558 . 11 1 1 A 84 84 SER C C 84 173.496 173.166 0.330 1
1 559 . 11 1 1 A 84 84 SER CA C 84 56.311 57.658 -1.347 1
1 560 . 11 1 1 A 84 84 SER CB C 84 65.943 67.054 -1.111 1
1 561 . 11 1 1 A 84 84 SER N N 84 115.366 114.987 0.379 1
1 562 . 11 1 1 A 85 85 THR H H 85 8.091 8.764 -0.673 1
1 563 . 11 1 1 A 85 85 THR HA H 85 5.036 4.983 0.053 1
1 568 . 11 1 1 A 85 85 THR C C 85 173.844 171.925 1.919 1
1 569 . 11 1 1 A 85 85 THR CA C 85 58.919 60.690 -1.771 1
1 570 . 11 1 1 A 85 85 THR CB C 85 71.518 71.113 0.405 1
1 572 . 11 1 1 A 85 85 THR N N 85 110.842 115.965 -5.123 1
1 573 . 11 1 1 A 86 86 GLU H H 86 8.128 8.762 -0.634 1
1 574 . 11 1 1 A 86 86 GLU HA H 86 4.413 4.978 -0.565 1
1 578 . 11 1 1 A 86 86 GLU C C 86 174.693 174.545 0.148 1
1 579 . 11 1 1 A 86 86 GLU CA C 86 54.405 54.505 -0.100 1
1 580 . 11 1 1 A 86 86 GLU CB C 86 33.099 34.223 -1.124 1
1 582 . 11 1 1 A 86 86 GLU N N 86 122.318 126.056 -3.738 1
1 583 . 11 1 1 A 87 87 LYS H H 87 8.622 8.554 0.068 1
1 584 . 11 1 1 A 87 87 LYS HA H 87 4.153 4.413 -0.260 1
1 593 . 11 1 1 A 87 87 LYS C C 87 175.909 175.049 0.860 1
1 594 . 11 1 1 A 87 87 LYS CA C 87 56.403 54.586 1.817 1
1 595 . 11 1 1 A 87 87 LYS CB C 87 32.960 34.513 -1.553 1
1 599 . 11 1 1 A 87 87 LYS N N 87 124.854 122.172 2.682 1
1 600 . 11 1 1 A 88 88 GLU HA H 88 4.276 4.540 -0.264 1
1 604 . 11 1 1 A 88 88 GLU C C 88 175.998 176.578 -0.580 1
1 605 . 11 1 1 A 88 88 GLU CA C 88 55.362 55.024 0.338 1
1 606 . 11 1 1 A 88 88 GLU CB C 88 30.945 31.345 -0.400 1
1 608 . 11 1 1 A 91 91 LYS H H 91 7.651 7.732 -0.081 1
1 609 . 11 1 1 A 91 91 LYS HA H 91 4.456 4.740 -0.284 1
1 616 . 11 1 1 A 91 91 LYS C C 91 174.960 173.974 0.986 1
1 617 . 11 1 1 A 91 91 LYS CA C 91 54.992 54.609 0.383 1
1 618 . 11 1 1 A 91 91 LYS CB C 91 34.855 35.208 -0.353 1
1 622 . 11 1 1 A 91 91 LYS N N 91 119.096 115.392 3.704 1
1 623 . 11 1 1 A 92 92 PHE H H 92 7.904 8.723 -0.819 1
1 624 . 11 1 1 A 92 92 PHE HA H 92 4.772 5.333 -0.561 1
1 631 . 11 1 1 A 92 92 PHE C C 92 175.183 175.213 -0.030 1
1 632 . 11 1 1 A 92 92 PHE CA C 92 57.762 56.684 1.078 1
1 633 . 11 1 1 A 92 92 PHE CB C 92 40.747 41.747 -1.000 1
1 634 . 11 1 1 A 92 92 PHE N N 92 118.936 117.432 1.504 1
1 635 . 11 1 1 A 93 93 VAL H H 93 8.626 8.856 -0.230 1
1 636 . 11 1 1 A 93 93 VAL HA H 93 4.090 4.976 -0.886 1
1 644 . 11 1 1 A 93 93 VAL C C 93 174.856 174.305 0.551 1
1 645 . 11 1 1 A 93 93 VAL CA C 93 61.228 61.027 0.201 1
1 646 . 11 1 1 A 93 93 VAL CB C 93 33.595 34.755 -1.160 1
1 648 . 11 1 1 A 93 93 VAL N N 93 120.649 119.677 0.972 1
1 649 . 11 1 1 A 94 94 TYR H H 94 8.950 9.370 -0.420 1
1 650 . 11 1 1 A 94 94 TYR HA H 94 5.029 5.247 -0.218 1
1 657 . 11 1 1 A 94 94 TYR C C 94 175.242 175.151 0.091 1
1 658 . 11 1 1 A 94 94 TYR CA C 94 57.619 56.517 1.102 1
1 659 . 11 1 1 A 94 94 TYR CB C 94 41.447 40.676 0.771 1
1 660 . 11 1 1 A 94 94 TYR N N 94 125.589 126.224 -0.635 1
1 661 . 11 1 1 A 95 95 ARG H H 95 8.275 9.092 -0.817 1
1 662 . 11 1 1 A 95 95 ARG HA H 95 5.001 5.009 -0.008 1
1 665 . 11 1 1 A 95 95 ARG CA C 95 53.055 53.586 -0.531 1
1 666 . 11 1 1 A 95 95 ARG N N 95 118.094 121.210 -3.116 1
1 670 . 11 1 1 A 96 96 PRO CA C 96 63.815 62.292 1.523 1
1 671 . 11 1 1 A 96 96 PRO CB C 96 33.778 32.888 0.890 1
1 673 . 11 1 1 A 97 97 LEU H H 97 7.862 8.424 -0.562 1
1 674 . 11 1 1 A 97 97 LEU HA H 97 4.054 5.122 -1.068 1
1 684 . 11 1 1 A 97 97 LEU CA C 97 55.208 52.622 2.586 1
1 685 . 11 1 1 A 97 97 LEU CB C 97 42.072 44.691 -2.619 1
1 1 . 12 1 1 A 36 36 ALA HA H 36 4.250 4.119 0.131 1
1 5 . 12 1 1 A 36 36 ALA CA C 36 55.550 55.270 0.280 1
1 6 . 12 1 1 A 36 36 ALA CB C 36 19.203 19.165 0.038 1
1 7 . 12 1 1 A 39 39 ILE HA H 39 4.250 3.679 0.571 1
1 17 . 12 1 1 A 39 39 ILE CA C 39 58.724 65.402 -6.678 1
1 18 . 12 1 1 A 39 39 ILE CB C 39 38.496 37.899 0.597 1
1 22 . 12 1 1 A 40 40 VAL HA H 40 3.198 4.057 -0.859 1
1 30 . 12 1 1 A 40 40 VAL CA C 40 67.086 64.754 2.332 1
1 31 . 12 1 1 A 40 40 VAL CB C 40 30.969 31.442 -0.473 1
1 34 . 12 1 1 A 42 42 ARG HA H 42 3.770 4.129 -0.359 1
1 35 . 12 1 1 A 42 42 ARG CA C 42 55.107 58.449 -3.342 1
1 36 . 12 1 1 A 43 43 VAL H H 43 7.364 7.770 -0.406 1
1 37 . 12 1 1 A 43 43 VAL HA H 43 3.506 3.859 -0.353 1
1 45 . 12 1 1 A 43 43 VAL C C 43 178.600 178.588 0.012 1
1 46 . 12 1 1 A 43 43 VAL CA C 43 66.598 65.397 1.201 1
1 47 . 12 1 1 A 43 43 VAL CB C 43 31.203 31.640 -0.437 1
1 50 . 12 1 1 A 43 43 VAL N N 43 119.765 118.512 1.253 1
1 51 . 12 1 1 A 44 44 ILE H H 44 7.829 8.295 -0.466 1
1 52 . 12 1 1 A 44 44 ILE HA H 44 3.242 3.658 -0.416 1
1 62 . 12 1 1 A 44 44 ILE C C 44 178.289 178.287 0.002 1
1 63 . 12 1 1 A 44 44 ILE CA C 44 66.146 65.011 1.135 1
1 64 . 12 1 1 A 44 44 ILE CB C 44 36.869 37.781 -0.912 1
1 68 . 12 1 1 A 44 44 ILE N N 44 120.991 122.419 -1.428 1
1 69 . 12 1 1 A 45 45 TRP H H 45 9.154 7.931 1.223 1
1 70 . 12 1 1 A 45 45 TRP HA H 45 4.377 4.143 0.234 1
1 77 . 12 1 1 A 45 45 TRP C C 45 179.154 178.760 0.394 1
1 78 . 12 1 1 A 45 45 TRP CA C 45 60.749 61.286 -0.537 1
1 79 . 12 1 1 A 45 45 TRP CB C 45 28.620 29.669 -1.049 1
1 80 . 12 1 1 A 45 45 TRP N N 45 119.877 122.865 -2.988 1
1 82 . 12 1 1 A 46 46 SER H H 46 7.556 8.116 -0.560 1
1 83 . 12 1 1 A 46 46 SER HA H 46 4.247 4.310 -0.063 1
1 86 . 12 1 1 A 46 46 SER C C 46 175.737 177.006 -1.269 1
1 87 . 12 1 1 A 46 46 SER CA C 46 61.315 61.379 -0.064 1
1 88 . 12 1 1 A 46 46 SER CB C 46 63.510 62.984 0.526 1
1 89 . 12 1 1 A 46 46 SER N N 46 113.170 114.463 -1.293 1
1 90 . 12 1 1 A 47 47 LEU H H 47 7.667 7.886 -0.219 1
1 91 . 12 1 1 A 47 47 LEU HA H 47 4.274 4.302 -0.028 1
1 101 . 12 1 1 A 47 47 LEU C C 47 178.987 176.988 1.999 1
1 102 . 12 1 1 A 47 47 LEU CA C 47 55.835 56.368 -0.533 1
1 103 . 12 1 1 A 47 47 LEU CB C 47 43.548 43.055 0.493 1
1 107 . 12 1 1 A 47 47 LEU N N 47 120.838 122.096 -1.258 1
1 108 . 12 1 1 A 48 48 GLY H H 48 8.656 8.286 0.370 1
1 109 . 12 1 1 A 48 48 GLY HA2 H 48 4.373 3.842 0.531 1
1 110 . 12 1 1 A 48 48 GLY HA3 H 48 3.296 3.910 -0.614 1
1 111 . 12 1 1 A 48 48 GLY C C 48 173.625 173.291 0.334 1
1 112 . 12 1 1 A 48 48 GLY CA C 48 46.944 45.323 1.621 1
1 113 . 12 1 1 A 48 48 GLY N N 48 113.217 107.632 5.585 1
1 114 . 12 1 1 A 49 49 GLU H H 49 7.347 7.686 -0.339 1
1 115 . 12 1 1 A 49 49 GLU HA H 49 4.830 4.902 -0.072 1
1 120 . 12 1 1 A 49 49 GLU C C 49 174.973 174.619 0.354 1
1 121 . 12 1 1 A 49 49 GLU CA C 49 55.026 54.788 0.238 1
1 122 . 12 1 1 A 49 49 GLU CB C 49 31.947 32.337 -0.390 1
1 124 . 12 1 1 A 49 49 GLU N N 49 116.219 116.287 -0.068 1
1 125 . 12 1 1 A 50 50 ALA H H 50 8.598 8.991 -0.393 1
1 126 . 12 1 1 A 50 50 ALA HA H 50 4.817 5.472 -0.655 1
1 130 . 12 1 1 A 50 50 ALA C C 50 176.042 176.964 -0.922 1
1 131 . 12 1 1 A 50 50 ALA CA C 50 52.189 50.093 2.096 1
1 132 . 12 1 1 A 50 50 ALA CB C 50 24.738 21.468 3.270 1
1 133 . 12 1 1 A 50 50 ALA N N 50 122.121 126.741 -4.620 1
1 134 . 12 1 1 A 51 51 ARG H H 51 8.935 9.122 -0.187 1
1 135 . 12 1 1 A 51 51 ARG HA H 51 5.098 4.835 0.263 1
1 142 . 12 1 1 A 51 51 ARG C C 51 178.696 178.026 0.670 1
1 143 . 12 1 1 A 51 51 ARG CA C 51 54.995 55.381 -0.386 1
1 144 . 12 1 1 A 51 51 ARG CB C 51 32.605 31.062 1.543 1
1 147 . 12 1 1 A 51 51 ARG N N 51 121.019 121.415 -0.396 1
1 148 . 12 1 1 A 52 52 VAL H H 52 9.767 8.489 1.278 1
1 149 . 12 1 1 A 52 52 VAL HA H 52 3.494 4.006 -0.512 1
1 157 . 12 1 1 A 52 52 VAL C C 52 176.292 177.672 -1.380 1
1 158 . 12 1 1 A 52 52 VAL CA C 52 67.295 65.629 1.666 1
1 159 . 12 1 1 A 52 52 VAL CB C 52 31.427 31.603 -0.176 1
1 162 . 12 1 1 A 52 52 VAL N N 52 121.483 122.278 -0.795 1
1 163 . 12 1 1 A 53 53 ASP H H 53 8.640 8.250 0.390 1
1 164 . 12 1 1 A 53 53 ASP HA H 53 4.199 4.413 -0.214 1
1 167 . 12 1 1 A 53 53 ASP C C 53 178.904 178.635 0.269 1
1 168 . 12 1 1 A 53 53 ASP CA C 53 56.797 56.748 0.049 1
1 169 . 12 1 1 A 53 53 ASP CB C 53 39.068 40.928 -1.860 1
1 170 . 12 1 1 A 53 53 ASP N N 53 116.987 120.745 -3.758 1
1 171 . 12 1 1 A 54 54 GLU H H 54 7.028 7.994 -0.966 1
1 172 . 12 1 1 A 54 54 GLU HA H 54 4.017 4.180 -0.163 1
1 176 . 12 1 1 A 54 54 GLU C C 54 178.696 178.963 -0.267 1
1 177 . 12 1 1 A 54 54 GLU CA C 54 58.261 58.987 -0.726 1
1 178 . 12 1 1 A 54 54 GLU CB C 54 30.742 29.567 1.175 1
1 180 . 12 1 1 A 54 54 GLU N N 54 119.862 119.366 0.496 1
1 181 . 12 1 1 A 55 55 ILE H H 55 7.639 8.109 -0.470 1
1 182 . 12 1 1 A 55 55 ILE HA H 55 3.345 3.885 -0.540 1
1 192 . 12 1 1 A 55 55 ILE C C 55 177.945 177.695 0.250 1
1 193 . 12 1 1 A 55 55 ILE CA C 55 64.533 64.464 0.069 1
1 194 . 12 1 1 A 55 55 ILE CB C 55 38.824 37.562 1.262 1
1 198 . 12 1 1 A 55 55 ILE N N 55 118.743 119.825 -1.082 1
1 199 . 12 1 1 A 56 56 TYR H H 56 8.548 7.947 0.601 1
1 200 . 12 1 1 A 56 56 TYR HA H 56 4.028 4.129 -0.101 1
1 207 . 12 1 1 A 56 56 TYR C C 56 177.279 178.265 -0.986 1
1 208 . 12 1 1 A 56 56 TYR CA C 56 61.046 62.330 -1.284 1
1 209 . 12 1 1 A 56 56 TYR CB C 56 38.746 38.691 0.055 1
1 210 . 12 1 1 A 56 56 TYR N N 56 117.394 124.319 -6.925 1
1 211 . 12 1 1 A 57 57 ALA H H 57 7.305 8.092 -0.787 1
1 212 . 12 1 1 A 57 57 ALA HA H 57 3.891 4.170 -0.279 1
1 216 . 12 1 1 A 57 57 ALA C C 57 178.515 178.735 -0.220 1
1 217 . 12 1 1 A 57 57 ALA CA C 57 53.867 54.983 -1.116 1
1 218 . 12 1 1 A 57 57 ALA CB C 57 18.567 18.548 0.019 1
1 219 . 12 1 1 A 57 57 ALA N N 57 116.845 121.437 -4.592 1
1 220 . 12 1 1 A 58 58 GLN H H 58 7.182 7.810 -0.628 1
1 221 . 12 1 1 A 58 58 GLN HA H 58 4.182 4.331 -0.149 1
1 228 . 12 1 1 A 58 58 GLN C C 58 176.015 174.490 1.525 1
1 229 . 12 1 1 A 58 58 GLN CA C 58 54.679 55.742 -1.063 1
1 230 . 12 1 1 A 58 58 GLN CB C 58 29.584 29.626 -0.042 1
1 232 . 12 1 1 A 58 58 GLN N N 58 113.228 114.164 -0.936 1
1 234 . 12 1 1 A 59 59 ILE H H 59 7.051 7.592 -0.541 1
1 235 . 12 1 1 A 59 59 ILE HA H 59 3.829 4.150 -0.321 1
1 245 . 12 1 1 A 59 59 ILE CA C 59 57.557 57.853 -0.296 1
1 246 . 12 1 1 A 59 59 ILE CB C 59 36.090 38.476 -2.386 1
1 250 . 12 1 1 A 59 59 ILE N N 59 121.926 121.014 0.912 1
1 251 . 12 1 1 A 60 60 PRO HA H 60 4.049 4.631 -0.582 1
1 258 . 12 1 1 A 60 60 PRO CA C 60 63.775 61.972 1.803 1
1 259 . 12 1 1 A 60 60 PRO CB C 60 32.050 32.924 -0.874 1
1 262 . 12 1 1 A 61 61 GLN H H 61 8.772 8.906 -0.134 1
1 263 . 12 1 1 A 61 61 GLN HA H 61 3.772 4.015 -0.243 1
1 270 . 12 1 1 A 61 61 GLN C C 61 178.654 177.340 1.314 1
1 271 . 12 1 1 A 61 61 GLN CA C 61 58.761 57.499 1.262 1
1 272 . 12 1 1 A 61 61 GLN CB C 61 28.318 28.527 -0.209 1
1 274 . 12 1 1 A 61 61 GLN N N 61 126.284 121.769 4.515 1
1 276 . 12 1 1 A 62 62 GLU H H 62 9.471 7.772 1.699 1
1 277 . 12 1 1 A 62 62 GLU HA H 62 3.971 4.096 -0.125 1
1 282 . 12 1 1 A 62 62 GLU C C 62 177.376 177.340 0.036 1
1 283 . 12 1 1 A 62 62 GLU CA C 62 58.072 58.957 -0.885 1
1 284 . 12 1 1 A 62 62 GLU CB C 62 28.164 29.698 -1.534 1
1 286 . 12 1 1 A 62 62 GLU N N 62 118.102 119.042 -0.940 1
1 287 . 12 1 1 A 63 63 LEU H H 63 6.792 7.093 -0.301 1
1 288 . 12 1 1 A 63 63 LEU HA H 63 3.717 4.011 -0.294 1
1 298 . 12 1 1 A 63 63 LEU C C 63 176.570 176.112 0.458 1
1 299 . 12 1 1 A 63 63 LEU CA C 63 56.173 55.016 1.157 1
1 300 . 12 1 1 A 63 63 LEU CB C 63 39.610 42.169 -2.559 1
1 304 . 12 1 1 A 63 63 LEU N N 63 118.573 117.731 0.842 1
1 305 . 12 1 1 A 64 64 GLU H H 64 7.589 7.698 -0.109 1
1 306 . 12 1 1 A 64 64 GLU HA H 64 3.782 3.951 -0.169 1
1 311 . 12 1 1 A 64 64 GLU C C 64 176.723 175.569 1.154 1
1 312 . 12 1 1 A 64 64 GLU CA C 64 57.031 57.586 -0.555 1
1 313 . 12 1 1 A 64 64 GLU CB C 64 26.951 26.873 0.078 1
1 315 . 12 1 1 A 64 64 GLU N N 64 112.960 115.632 -2.672 1
1 316 . 12 1 1 A 65 65 TRP H H 65 8.340 7.622 0.718 1
1 317 . 12 1 1 A 65 65 TRP HA H 65 5.097 4.740 0.357 1
1 323 . 12 1 1 A 65 65 TRP CA C 65 54.697 57.346 -2.649 1
1 324 . 12 1 1 A 65 65 TRP CB C 65 30.450 30.645 -0.195 1
1 325 . 12 1 1 A 65 65 TRP N N 65 119.866 121.194 -1.328 1
1 327 . 12 1 1 A 66 66 SER HA H 66 4.700 4.856 -0.156 1
1 330 . 12 1 1 A 66 66 SER CA C 66 56.340 57.236 -0.896 1
1 331 . 12 1 1 A 66 66 SER CB C 66 66.184 65.617 0.567 1
1 332 . 12 1 1 A 67 67 LEU H H 67 8.622 8.718 -0.096 1
1 333 . 12 1 1 A 67 67 LEU HA H 67 3.357 4.076 -0.719 1
1 343 . 12 1 1 A 67 67 LEU C C 67 178.779 178.636 0.143 1
1 344 . 12 1 1 A 67 67 LEU CA C 67 58.385 58.415 -0.030 1
1 345 . 12 1 1 A 67 67 LEU CB C 67 41.218 41.177 0.041 1
1 349 . 12 1 1 A 67 67 LEU N N 67 123.216 127.521 -4.305 1
1 350 . 12 1 1 A 68 68 ALA H H 68 7.987 8.183 -0.196 1
1 351 . 12 1 1 A 68 68 ALA HA H 68 3.766 4.067 -0.301 1
1 355 . 12 1 1 A 68 68 ALA C C 68 180.626 179.895 0.731 1
1 356 . 12 1 1 A 68 68 ALA CA C 68 55.431 55.082 0.349 1
1 357 . 12 1 1 A 68 68 ALA CB C 68 17.780 18.315 -0.535 1
1 358 . 12 1 1 A 68 68 ALA N N 68 119.912 120.829 -0.917 1
1 359 . 12 1 1 A 69 69 THR H H 69 7.781 7.943 -0.162 1
1 360 . 12 1 1 A 69 69 THR HA H 69 3.477 3.749 -0.272 1
1 365 . 12 1 1 A 69 69 THR C C 69 176.154 175.906 0.248 1
1 366 . 12 1 1 A 69 69 THR CA C 69 66.975 67.166 -0.191 1
1 367 . 12 1 1 A 69 69 THR CB C 69 68.525 69.014 -0.489 1
1 369 . 12 1 1 A 69 69 THR N N 69 118.256 115.046 3.210 1
1 370 . 12 1 1 A 70 70 VAL H H 70 7.373 7.966 -0.593 1
1 371 . 12 1 1 A 70 70 VAL HA H 70 3.201 3.648 -0.447 1
1 379 . 12 1 1 A 70 70 VAL C C 70 177.265 177.923 -0.658 1
1 380 . 12 1 1 A 70 70 VAL CA C 70 67.795 65.274 2.521 1
1 381 . 12 1 1 A 70 70 VAL CB C 70 31.342 31.326 0.016 1
1 384 . 12 1 1 A 70 70 VAL N N 70 120.502 120.468 0.034 1
1 385 . 12 1 1 A 71 71 LYS H H 71 8.521 7.583 0.938 1
1 386 . 12 1 1 A 71 71 LYS HA H 71 3.659 3.935 -0.276 1
1 395 . 12 1 1 A 71 71 LYS C C 71 180.154 178.971 1.183 1
1 396 . 12 1 1 A 71 71 LYS CA C 71 61.155 59.808 1.347 1
1 397 . 12 1 1 A 71 71 LYS CB C 71 32.114 32.361 -0.247 1
1 401 . 12 1 1 A 71 71 LYS N N 71 118.966 121.974 -3.008 1
1 402 . 12 1 1 A 72 72 THR H H 72 8.160 7.532 0.628 1
1 403 . 12 1 1 A 72 72 THR HA H 72 3.747 3.996 -0.249 1
1 408 . 12 1 1 A 72 72 THR C C 72 177.209 176.544 0.665 1
1 409 . 12 1 1 A 72 72 THR CA C 72 66.978 65.100 1.878 1
1 410 . 12 1 1 A 72 72 THR CB C 72 68.268 68.433 -0.165 1
1 412 . 12 1 1 A 72 72 THR N N 72 119.017 113.229 5.788 1
1 413 . 12 1 1 A 73 73 LEU H H 73 7.753 8.088 -0.335 1
1 414 . 12 1 1 A 73 73 LEU HA H 73 3.682 4.066 -0.384 1
1 424 . 12 1 1 A 73 73 LEU C C 73 178.821 178.428 0.393 1
1 425 . 12 1 1 A 73 73 LEU CA C 73 58.671 57.952 0.719 1
1 426 . 12 1 1 A 73 73 LEU CB C 73 42.182 41.528 0.654 1
1 430 . 12 1 1 A 73 73 LEU N N 73 123.340 122.647 0.693 1
1 431 . 12 1 1 A 74 74 LEU H H 74 8.341 8.609 -0.268 1
1 432 . 12 1 1 A 74 74 LEU HA H 74 3.551 3.872 -0.321 1
1 442 . 12 1 1 A 74 74 LEU C C 74 178.832 179.220 -0.388 1
1 443 . 12 1 1 A 74 74 LEU CA C 74 58.293 58.346 -0.053 1
1 444 . 12 1 1 A 74 74 LEU CB C 74 40.530 41.656 -1.126 1
1 448 . 12 1 1 A 74 74 LEU N N 74 118.538 119.384 -0.846 1
1 449 . 12 1 1 A 75 75 GLY H H 75 7.780 7.898 -0.118 1
1 450 . 12 1 1 A 75 75 GLY HA2 H 75 3.648 3.797 -0.149 1
1 451 . 12 1 1 A 75 75 GLY HA3 H 75 3.767 3.810 -0.043 1
1 452 . 12 1 1 A 75 75 GLY C C 75 177.626 176.324 1.302 1
1 453 . 12 1 1 A 75 75 GLY CA C 75 47.290 47.056 0.234 1
1 454 . 12 1 1 A 75 75 GLY N N 75 103.878 105.047 -1.169 1
1 455 . 12 1 1 A 76 76 ARG H H 76 7.637 8.122 -0.485 1
1 456 . 12 1 1 A 76 76 ARG HA H 76 3.908 4.071 -0.163 1
1 463 . 12 1 1 A 76 76 ARG C C 76 179.001 178.886 0.115 1
1 464 . 12 1 1 A 76 76 ARG CA C 76 59.378 58.867 0.511 1
1 465 . 12 1 1 A 76 76 ARG CB C 76 30.767 29.619 1.148 1
1 468 . 12 1 1 A 76 76 ARG N N 76 122.469 122.289 0.180 1
1 469 . 12 1 1 A 77 77 LEU H H 77 7.922 8.029 -0.107 1
1 470 . 12 1 1 A 77 77 LEU HA H 77 3.812 4.063 -0.251 1
1 480 . 12 1 1 A 77 77 LEU C C 77 179.835 179.163 0.672 1
1 481 . 12 1 1 A 77 77 LEU CA C 77 58.306 58.082 0.224 1
1 482 . 12 1 1 A 77 77 LEU CB C 77 42.365 42.207 0.158 1
1 486 . 12 1 1 A 77 77 LEU N N 77 120.640 120.573 0.067 1
1 487 . 12 1 1 A 78 78 VAL H H 78 8.287 8.278 0.009 1
1 488 . 12 1 1 A 78 78 VAL HA H 78 3.950 3.997 -0.047 1
1 496 . 12 1 1 A 78 78 VAL C C 78 181.099 178.269 2.830 1
1 497 . 12 1 1 A 78 78 VAL CA C 78 66.044 66.044 0.000 1
1 498 . 12 1 1 A 78 78 VAL CB C 78 32.287 31.554 0.733 1
1 501 . 12 1 1 A 78 78 VAL N N 78 121.179 115.513 5.666 1
1 502 . 12 1 1 A 79 79 LYS H H 79 7.836 7.943 -0.107 1
1 503 . 12 1 1 A 79 79 LYS HA H 79 4.004 4.183 -0.179 1
1 512 . 12 1 1 A 79 79 LYS CA C 79 59.189 58.692 0.497 1
1 513 . 12 1 1 A 79 79 LYS CB C 79 29.238 32.217 -2.979 1
1 517 . 12 1 1 A 79 79 LYS N N 79 123.239 121.108 2.131 1
1 518 . 12 1 1 A 80 80 LYS HA H 80 4.179 4.502 -0.323 1
1 521 . 12 1 1 A 80 80 LYS CA C 80 57.269 55.680 1.589 1
1 522 . 12 1 1 A 80 80 LYS CB C 80 31.067 33.032 -1.965 1
1 523 . 12 1 1 A 81 81 GLU H H 81 7.801 8.249 -0.448 1
1 524 . 12 1 1 A 81 81 GLU HA H 81 4.513 4.070 0.443 1
1 527 . 12 1 1 A 81 81 GLU CA C 81 57.915 57.233 0.682 1
1 528 . 12 1 1 A 81 81 GLU CB C 81 26.150 26.847 -0.697 1
1 529 . 12 1 1 A 81 81 GLU N N 81 126.946 116.750 10.196 1
1 530 . 12 1 1 A 82 82 MET H H 82 7.978 8.007 -0.029 1
1 531 . 12 1 1 A 82 82 MET HA H 82 3.781 4.422 -0.641 1
1 536 . 12 1 1 A 82 82 MET C C 82 176.695 176.617 0.078 1
1 537 . 12 1 1 A 82 82 MET CA C 82 57.599 58.045 -0.446 1
1 538 . 12 1 1 A 82 82 MET CB C 82 33.067 33.968 -0.901 1
1 540 . 12 1 1 A 82 82 MET N N 82 112.370 117.759 -5.389 1
1 541 . 12 1 1 A 83 83 LEU H H 83 6.928 7.835 -0.907 1
1 542 . 12 1 1 A 83 83 LEU HA H 83 5.042 4.754 0.288 1
1 548 . 12 1 1 A 83 83 LEU C C 83 175.376 174.404 0.972 1
1 549 . 12 1 1 A 83 83 LEU CA C 83 52.193 53.663 -1.470 1
1 550 . 12 1 1 A 83 83 LEU CB C 83 48.040 44.115 3.925 1
1 553 . 12 1 1 A 83 83 LEU N N 83 116.646 114.764 1.882 1
1 554 . 12 1 1 A 84 84 SER H H 84 9.089 8.433 0.656 1
1 555 . 12 1 1 A 84 84 SER HA H 84 4.711 5.495 -0.784 1
1 558 . 12 1 1 A 84 84 SER C C 84 173.496 173.252 0.244 1
1 559 . 12 1 1 A 84 84 SER CA C 84 56.311 57.487 -1.176 1
1 560 . 12 1 1 A 84 84 SER CB C 84 65.943 67.003 -1.060 1
1 561 . 12 1 1 A 84 84 SER N N 84 115.366 115.001 0.365 1
1 562 . 12 1 1 A 85 85 THR H H 85 8.091 8.764 -0.673 1
1 563 . 12 1 1 A 85 85 THR HA H 85 5.036 5.173 -0.137 1
1 568 . 12 1 1 A 85 85 THR C C 85 173.844 171.989 1.855 1
1 569 . 12 1 1 A 85 85 THR CA C 85 58.919 59.871 -0.952 1
1 570 . 12 1 1 A 85 85 THR CB C 85 71.518 71.631 -0.113 1
1 572 . 12 1 1 A 85 85 THR N N 85 110.842 115.497 -4.655 1
1 573 . 12 1 1 A 86 86 GLU H H 86 8.128 8.763 -0.635 1
1 574 . 12 1 1 A 86 86 GLU HA H 86 4.413 4.901 -0.488 1
1 578 . 12 1 1 A 86 86 GLU C C 86 174.693 174.590 0.103 1
1 579 . 12 1 1 A 86 86 GLU CA C 86 54.405 54.498 -0.093 1
1 580 . 12 1 1 A 86 86 GLU CB C 86 33.099 33.557 -0.458 1
1 582 . 12 1 1 A 86 86 GLU N N 86 122.318 125.930 -3.612 1
1 583 . 12 1 1 A 87 87 LYS H H 87 8.622 8.569 0.053 1
1 584 . 12 1 1 A 87 87 LYS HA H 87 4.153 4.962 -0.809 1
1 593 . 12 1 1 A 87 87 LYS C C 87 175.909 174.819 1.090 1
1 594 . 12 1 1 A 87 87 LYS CA C 87 56.403 54.486 1.917 1
1 595 . 12 1 1 A 87 87 LYS CB C 87 32.960 35.250 -2.290 1
1 599 . 12 1 1 A 87 87 LYS N N 87 124.854 122.628 2.226 1
1 600 . 12 1 1 A 88 88 GLU HA H 88 4.276 4.483 -0.207 1
1 604 . 12 1 1 A 88 88 GLU C C 88 175.998 175.529 0.469 1
1 605 . 12 1 1 A 88 88 GLU CA C 88 55.362 55.475 -0.113 1
1 606 . 12 1 1 A 88 88 GLU CB C 88 30.945 33.771 -2.826 1
1 608 . 12 1 1 A 91 91 LYS H H 91 7.651 7.704 -0.053 1
1 609 . 12 1 1 A 91 91 LYS HA H 91 4.456 4.888 -0.432 1
1 616 . 12 1 1 A 91 91 LYS C C 91 174.960 174.512 0.448 1
1 617 . 12 1 1 A 91 91 LYS CA C 91 54.992 54.158 0.834 1
1 618 . 12 1 1 A 91 91 LYS CB C 91 34.855 36.667 -1.812 1
1 622 . 12 1 1 A 91 91 LYS N N 91 119.096 117.672 1.424 1
1 623 . 12 1 1 A 92 92 PHE H H 92 7.904 8.736 -0.832 1
1 624 . 12 1 1 A 92 92 PHE HA H 92 4.772 5.230 -0.458 1
1 631 . 12 1 1 A 92 92 PHE C C 92 175.183 175.093 0.090 1
1 632 . 12 1 1 A 92 92 PHE CA C 92 57.762 56.443 1.319 1
1 633 . 12 1 1 A 92 92 PHE CB C 92 40.747 41.431 -0.684 1
1 634 . 12 1 1 A 92 92 PHE N N 92 118.936 117.964 0.972 1
1 635 . 12 1 1 A 93 93 VAL H H 93 8.626 8.960 -0.334 1
1 636 . 12 1 1 A 93 93 VAL HA H 93 4.090 5.037 -0.947 1
1 644 . 12 1 1 A 93 93 VAL C C 93 174.856 174.090 0.766 1
1 645 . 12 1 1 A 93 93 VAL CA C 93 61.228 61.136 0.092 1
1 646 . 12 1 1 A 93 93 VAL CB C 93 33.595 34.886 -1.291 1
1 648 . 12 1 1 A 93 93 VAL N N 93 120.649 119.854 0.795 1
1 649 . 12 1 1 A 94 94 TYR H H 94 8.950 9.503 -0.553 1
1 650 . 12 1 1 A 94 94 TYR HA H 94 5.029 5.231 -0.202 1
1 657 . 12 1 1 A 94 94 TYR C C 94 175.242 175.300 -0.058 1
1 658 . 12 1 1 A 94 94 TYR CA C 94 57.619 56.612 1.007 1
1 659 . 12 1 1 A 94 94 TYR CB C 94 41.447 40.776 0.671 1
1 660 . 12 1 1 A 94 94 TYR N N 94 125.589 126.827 -1.238 1
1 661 . 12 1 1 A 95 95 ARG H H 95 8.275 8.858 -0.583 1
1 662 . 12 1 1 A 95 95 ARG HA H 95 5.001 4.797 0.204 1
1 665 . 12 1 1 A 95 95 ARG CA C 95 53.055 53.017 0.038 1
1 666 . 12 1 1 A 95 95 ARG N N 95 118.094 124.252 -6.158 1
1 670 . 12 1 1 A 96 96 PRO CA C 96 63.815 62.571 1.244 1
1 671 . 12 1 1 A 96 96 PRO CB C 96 33.778 32.729 1.049 1
1 673 . 12 1 1 A 97 97 LEU H H 97 7.862 8.421 -0.559 1
1 674 . 12 1 1 A 97 97 LEU HA H 97 4.054 5.325 -1.271 1
1 684 . 12 1 1 A 97 97 LEU CA C 97 55.208 52.453 2.755 1
1 685 . 12 1 1 A 97 97 LEU CB C 97 42.072 46.549 -4.477 1
1 1 . 13 1 1 A 36 36 ALA HA H 36 4.250 4.309 -0.059 1
1 5 . 13 1 1 A 36 36 ALA CA C 36 55.550 54.170 1.380 1
1 6 . 13 1 1 A 36 36 ALA CB C 36 19.203 19.774 -0.571 1
1 7 . 13 1 1 A 39 39 ILE HA H 39 4.250 3.841 0.409 1
1 17 . 13 1 1 A 39 39 ILE CA C 39 58.724 64.287 -5.563 1
1 18 . 13 1 1 A 39 39 ILE CB C 39 38.496 37.491 1.005 1
1 22 . 13 1 1 A 40 40 VAL HA H 40 3.198 4.034 -0.836 1
1 30 . 13 1 1 A 40 40 VAL CA C 40 67.086 65.032 2.054 1
1 31 . 13 1 1 A 40 40 VAL CB C 40 30.969 31.527 -0.558 1
1 34 . 13 1 1 A 42 42 ARG HA H 42 3.770 4.661 -0.891 1
1 35 . 13 1 1 A 42 42 ARG CA C 42 55.107 56.692 -1.585 1
1 36 . 13 1 1 A 43 43 VAL H H 43 7.364 8.136 -0.772 1
1 37 . 13 1 1 A 43 43 VAL HA H 43 3.506 3.760 -0.254 1
1 45 . 13 1 1 A 43 43 VAL C C 43 178.600 177.680 0.920 1
1 46 . 13 1 1 A 43 43 VAL CA C 43 66.598 65.679 0.919 1
1 47 . 13 1 1 A 43 43 VAL CB C 43 31.203 31.905 -0.702 1
1 50 . 13 1 1 A 43 43 VAL N N 43 119.765 119.481 0.284 1
1 51 . 13 1 1 A 44 44 ILE H H 44 7.829 8.274 -0.445 1
1 52 . 13 1 1 A 44 44 ILE HA H 44 3.242 3.648 -0.406 1
1 62 . 13 1 1 A 44 44 ILE C C 44 178.289 178.265 0.024 1
1 63 . 13 1 1 A 44 44 ILE CA C 44 66.146 65.037 1.109 1
1 64 . 13 1 1 A 44 44 ILE CB C 44 36.869 37.839 -0.970 1
1 68 . 13 1 1 A 44 44 ILE N N 44 120.991 121.034 -0.043 1
1 69 . 13 1 1 A 45 45 TRP H H 45 9.154 8.304 0.850 1
1 70 . 13 1 1 A 45 45 TRP HA H 45 4.377 4.146 0.231 1
1 77 . 13 1 1 A 45 45 TRP C C 45 179.154 178.922 0.232 1
1 78 . 13 1 1 A 45 45 TRP CA C 45 60.749 61.389 -0.640 1
1 79 . 13 1 1 A 45 45 TRP CB C 45 28.620 29.740 -1.120 1
1 80 . 13 1 1 A 45 45 TRP N N 45 119.877 122.794 -2.917 1
1 82 . 13 1 1 A 46 46 SER H H 46 7.556 7.944 -0.388 1
1 83 . 13 1 1 A 46 46 SER HA H 46 4.247 4.196 0.051 1
1 86 . 13 1 1 A 46 46 SER C C 46 175.737 177.168 -1.431 1
1 87 . 13 1 1 A 46 46 SER CA C 46 61.315 61.058 0.257 1
1 88 . 13 1 1 A 46 46 SER CB C 46 63.510 63.078 0.432 1
1 89 . 13 1 1 A 46 46 SER N N 46 113.170 114.498 -1.328 1
1 90 . 13 1 1 A 47 47 LEU H H 47 7.667 7.408 0.259 1
1 91 . 13 1 1 A 47 47 LEU HA H 47 4.274 4.176 0.098 1
1 101 . 13 1 1 A 47 47 LEU C C 47 178.987 176.547 2.440 1
1 102 . 13 1 1 A 47 47 LEU CA C 47 55.835 56.618 -0.783 1
1 103 . 13 1 1 A 47 47 LEU CB C 47 43.548 43.014 0.534 1
1 107 . 13 1 1 A 47 47 LEU N N 47 120.838 121.634 -0.796 1
1 108 . 13 1 1 A 48 48 GLY H H 48 8.656 7.696 0.960 1
1 109 . 13 1 1 A 48 48 GLY HA2 H 48 4.373 3.832 0.541 1
1 110 . 13 1 1 A 48 48 GLY HA3 H 48 3.296 3.929 -0.633 1
1 111 . 13 1 1 A 48 48 GLY C C 48 173.625 173.476 0.149 1
1 112 . 13 1 1 A 48 48 GLY CA C 48 46.944 45.404 1.540 1
1 113 . 13 1 1 A 48 48 GLY N N 48 113.217 105.955 7.262 1
1 114 . 13 1 1 A 49 49 GLU H H 49 7.347 7.828 -0.481 1
1 115 . 13 1 1 A 49 49 GLU HA H 49 4.830 5.178 -0.348 1
1 120 . 13 1 1 A 49 49 GLU C C 49 174.973 174.849 0.124 1
1 121 . 13 1 1 A 49 49 GLU CA C 49 55.026 54.609 0.417 1
1 122 . 13 1 1 A 49 49 GLU CB C 49 31.947 32.997 -1.050 1
1 124 . 13 1 1 A 49 49 GLU N N 49 116.219 117.145 -0.926 1
1 125 . 13 1 1 A 50 50 ALA H H 50 8.598 8.282 0.316 1
1 126 . 13 1 1 A 50 50 ALA HA H 50 4.817 5.103 -0.286 1
1 130 . 13 1 1 A 50 50 ALA C C 50 176.042 176.132 -0.090 1
1 131 . 13 1 1 A 50 50 ALA CA C 50 52.189 50.782 1.407 1
1 132 . 13 1 1 A 50 50 ALA CB C 50 24.738 22.944 1.794 1
1 133 . 13 1 1 A 50 50 ALA N N 50 122.121 120.949 1.172 1
1 134 . 13 1 1 A 51 51 ARG H H 51 8.935 8.897 0.038 1
1 135 . 13 1 1 A 51 51 ARG HA H 51 5.098 4.818 0.280 1
1 142 . 13 1 1 A 51 51 ARG C C 51 178.696 177.860 0.836 1
1 143 . 13 1 1 A 51 51 ARG CA C 51 54.995 55.536 -0.541 1
1 144 . 13 1 1 A 51 51 ARG CB C 51 32.605 31.080 1.525 1
1 147 . 13 1 1 A 51 51 ARG N N 51 121.019 121.150 -0.131 1
1 148 . 13 1 1 A 52 52 VAL H H 52 9.767 8.767 1.000 1
1 149 . 13 1 1 A 52 52 VAL HA H 52 3.494 3.817 -0.323 1
1 157 . 13 1 1 A 52 52 VAL C C 52 176.292 177.276 -0.984 1
1 158 . 13 1 1 A 52 52 VAL CA C 52 67.295 65.304 1.991 1
1 159 . 13 1 1 A 52 52 VAL CB C 52 31.427 31.755 -0.328 1
1 162 . 13 1 1 A 52 52 VAL N N 52 121.483 123.561 -2.078 1
1 163 . 13 1 1 A 53 53 ASP H H 53 8.640 8.174 0.466 1
1 164 . 13 1 1 A 53 53 ASP HA H 53 4.199 4.502 -0.303 1
1 167 . 13 1 1 A 53 53 ASP C C 53 178.904 179.167 -0.263 1
1 168 . 13 1 1 A 53 53 ASP CA C 53 56.797 57.061 -0.264 1
1 169 . 13 1 1 A 53 53 ASP CB C 53 39.068 40.311 -1.243 1
1 170 . 13 1 1 A 53 53 ASP N N 53 116.987 122.054 -5.067 1
1 171 . 13 1 1 A 54 54 GLU H H 54 7.028 7.945 -0.917 1
1 172 . 13 1 1 A 54 54 GLU HA H 54 4.017 4.132 -0.115 1
1 176 . 13 1 1 A 54 54 GLU C C 54 178.696 178.854 -0.158 1
1 177 . 13 1 1 A 54 54 GLU CA C 54 58.261 59.200 -0.939 1
1 178 . 13 1 1 A 54 54 GLU CB C 54 30.742 30.077 0.665 1
1 180 . 13 1 1 A 54 54 GLU N N 54 119.862 121.387 -1.525 1
1 181 . 13 1 1 A 55 55 ILE H H 55 7.639 8.057 -0.418 1
1 182 . 13 1 1 A 55 55 ILE HA H 55 3.345 3.834 -0.489 1
1 192 . 13 1 1 A 55 55 ILE C C 55 177.945 177.632 0.313 1
1 193 . 13 1 1 A 55 55 ILE CA C 55 64.533 64.511 0.022 1
1 194 . 13 1 1 A 55 55 ILE CB C 55 38.824 37.664 1.160 1
1 198 . 13 1 1 A 55 55 ILE N N 55 118.743 118.594 0.149 1
1 199 . 13 1 1 A 56 56 TYR H H 56 8.548 8.067 0.481 1
1 200 . 13 1 1 A 56 56 TYR HA H 56 4.028 4.104 -0.076 1
1 207 . 13 1 1 A 56 56 TYR C C 56 177.279 178.138 -0.859 1
1 208 . 13 1 1 A 56 56 TYR CA C 56 61.046 62.085 -1.039 1
1 209 . 13 1 1 A 56 56 TYR CB C 56 38.746 38.553 0.193 1
1 210 . 13 1 1 A 56 56 TYR N N 56 117.394 124.175 -6.781 1
1 211 . 13 1 1 A 57 57 ALA H H 57 7.305 8.240 -0.935 1
1 212 . 13 1 1 A 57 57 ALA HA H 57 3.891 4.029 -0.138 1
1 216 . 13 1 1 A 57 57 ALA C C 57 178.515 178.779 -0.264 1
1 217 . 13 1 1 A 57 57 ALA CA C 57 53.867 54.684 -0.817 1
1 218 . 13 1 1 A 57 57 ALA CB C 57 18.567 18.213 0.354 1
1 219 . 13 1 1 A 57 57 ALA N N 57 116.845 121.389 -4.544 1
1 220 . 13 1 1 A 58 58 GLN H H 58 7.182 7.784 -0.602 1
1 221 . 13 1 1 A 58 58 GLN HA H 58 4.182 4.370 -0.188 1
1 228 . 13 1 1 A 58 58 GLN C C 58 176.015 175.810 0.205 1
1 229 . 13 1 1 A 58 58 GLN CA C 58 54.679 56.391 -1.712 1
1 230 . 13 1 1 A 58 58 GLN CB C 58 29.584 29.434 0.150 1
1 232 . 13 1 1 A 58 58 GLN N N 58 113.228 114.549 -1.321 1
1 234 . 13 1 1 A 59 59 ILE H H 59 7.051 7.423 -0.372 1
1 235 . 13 1 1 A 59 59 ILE HA H 59 3.829 4.141 -0.312 1
1 245 . 13 1 1 A 59 59 ILE CA C 59 57.557 58.253 -0.696 1
1 246 . 13 1 1 A 59 59 ILE CB C 59 36.090 37.861 -1.771 1
1 250 . 13 1 1 A 59 59 ILE N N 59 121.926 122.019 -0.093 1
1 251 . 13 1 1 A 60 60 PRO HA H 60 4.049 4.704 -0.655 1
1 258 . 13 1 1 A 60 60 PRO CA C 60 63.775 62.279 1.496 1
1 259 . 13 1 1 A 60 60 PRO CB C 60 32.050 32.520 -0.470 1
1 262 . 13 1 1 A 61 61 GLN H H 61 8.772 8.528 0.244 1
1 263 . 13 1 1 A 61 61 GLN HA H 61 3.772 3.996 -0.224 1
1 270 . 13 1 1 A 61 61 GLN C C 61 178.654 178.187 0.467 1
1 271 . 13 1 1 A 61 61 GLN CA C 61 58.761 58.963 -0.202 1
1 272 . 13 1 1 A 61 61 GLN CB C 61 28.318 28.235 0.083 1
1 274 . 13 1 1 A 61 61 GLN N N 61 126.284 122.824 3.460 1
1 276 . 13 1 1 A 62 62 GLU H H 62 9.471 8.129 1.342 1
1 277 . 13 1 1 A 62 62 GLU HA H 62 3.971 3.984 -0.013 1
1 282 . 13 1 1 A 62 62 GLU C C 62 177.376 179.119 -1.743 1
1 283 . 13 1 1 A 62 62 GLU CA C 62 58.072 59.086 -1.014 1
1 284 . 13 1 1 A 62 62 GLU CB C 62 28.164 29.269 -1.105 1
1 286 . 13 1 1 A 62 62 GLU N N 62 118.102 119.951 -1.849 1
1 287 . 13 1 1 A 63 63 LEU H H 63 6.792 7.226 -0.434 1
1 288 . 13 1 1 A 63 63 LEU HA H 63 3.717 4.076 -0.359 1
1 298 . 13 1 1 A 63 63 LEU C C 63 176.570 176.339 0.231 1
1 299 . 13 1 1 A 63 63 LEU CA C 63 56.173 55.520 0.653 1
1 300 . 13 1 1 A 63 63 LEU CB C 63 39.610 41.880 -2.270 1
1 304 . 13 1 1 A 63 63 LEU N N 63 118.573 118.383 0.190 1
1 305 . 13 1 1 A 64 64 GLU H H 64 7.589 7.831 -0.242 1
1 306 . 13 1 1 A 64 64 GLU HA H 64 3.782 4.125 -0.343 1
1 311 . 13 1 1 A 64 64 GLU C C 64 176.723 175.825 0.898 1
1 312 . 13 1 1 A 64 64 GLU CA C 64 57.031 57.577 -0.546 1
1 313 . 13 1 1 A 64 64 GLU CB C 64 26.951 27.311 -0.360 1
1 315 . 13 1 1 A 64 64 GLU N N 64 112.960 115.080 -2.120 1
1 316 . 13 1 1 A 65 65 TRP H H 65 8.340 8.065 0.275 1
1 317 . 13 1 1 A 65 65 TRP HA H 65 5.097 4.750 0.347 1
1 323 . 13 1 1 A 65 65 TRP CA C 65 54.697 57.014 -2.317 1
1 324 . 13 1 1 A 65 65 TRP CB C 65 30.450 28.537 1.913 1
1 325 . 13 1 1 A 65 65 TRP N N 65 119.866 121.267 -1.401 1
1 327 . 13 1 1 A 66 66 SER HA H 66 4.700 4.545 0.155 1
1 330 . 13 1 1 A 66 66 SER CA C 66 56.340 59.615 -3.275 1
1 331 . 13 1 1 A 66 66 SER CB C 66 66.184 63.568 2.616 1
1 332 . 13 1 1 A 67 67 LEU H H 67 8.622 8.626 -0.004 1
1 333 . 13 1 1 A 67 67 LEU HA H 67 3.357 3.020 0.337 1
1 343 . 13 1 1 A 67 67 LEU C C 67 178.779 178.281 0.498 1
1 344 . 13 1 1 A 67 67 LEU CA C 67 58.385 57.879 0.506 1
1 345 . 13 1 1 A 67 67 LEU CB C 67 41.218 40.970 0.248 1
1 349 . 13 1 1 A 67 67 LEU N N 67 123.216 127.313 -4.097 1
1 350 . 13 1 1 A 68 68 ALA H H 68 7.987 8.162 -0.175 1
1 351 . 13 1 1 A 68 68 ALA HA H 68 3.766 3.943 -0.177 1
1 355 . 13 1 1 A 68 68 ALA C C 68 180.626 179.836 0.790 1
1 356 . 13 1 1 A 68 68 ALA CA C 68 55.431 54.922 0.509 1
1 357 . 13 1 1 A 68 68 ALA CB C 68 17.780 18.112 -0.332 1
1 358 . 13 1 1 A 68 68 ALA N N 68 119.912 121.005 -1.093 1
1 359 . 13 1 1 A 69 69 THR H H 69 7.781 8.237 -0.456 1
1 360 . 13 1 1 A 69 69 THR HA H 69 3.477 3.740 -0.263 1
1 365 . 13 1 1 A 69 69 THR C C 69 176.154 175.879 0.275 1
1 366 . 13 1 1 A 69 69 THR CA C 69 66.975 66.896 0.079 1
1 367 . 13 1 1 A 69 69 THR CB C 69 68.525 68.200 0.325 1
1 369 . 13 1 1 A 69 69 THR N N 69 118.256 114.819 3.437 1
1 370 . 13 1 1 A 70 70 VAL H H 70 7.373 8.253 -0.880 1
1 371 . 13 1 1 A 70 70 VAL HA H 70 3.201 3.633 -0.432 1
1 379 . 13 1 1 A 70 70 VAL C C 70 177.265 177.735 -0.470 1
1 380 . 13 1 1 A 70 70 VAL CA C 70 67.795 65.233 2.562 1
1 381 . 13 1 1 A 70 70 VAL CB C 70 31.342 31.094 0.248 1
1 384 . 13 1 1 A 70 70 VAL N N 70 120.502 120.237 0.265 1
1 385 . 13 1 1 A 71 71 LYS H H 71 8.521 7.742 0.779 1
1 386 . 13 1 1 A 71 71 LYS HA H 71 3.659 3.945 -0.286 1
1 395 . 13 1 1 A 71 71 LYS C C 71 180.154 179.546 0.608 1
1 396 . 13 1 1 A 71 71 LYS CA C 71 61.155 59.356 1.799 1
1 397 . 13 1 1 A 71 71 LYS CB C 71 32.114 32.299 -0.185 1
1 401 . 13 1 1 A 71 71 LYS N N 71 118.966 122.669 -3.703 1
1 402 . 13 1 1 A 72 72 THR H H 72 8.160 7.701 0.459 1
1 403 . 13 1 1 A 72 72 THR HA H 72 3.747 3.987 -0.240 1
1 408 . 13 1 1 A 72 72 THR C C 72 177.209 176.839 0.370 1
1 409 . 13 1 1 A 72 72 THR CA C 72 66.978 65.260 1.718 1
1 410 . 13 1 1 A 72 72 THR CB C 72 68.268 68.546 -0.278 1
1 412 . 13 1 1 A 72 72 THR N N 72 119.017 114.288 4.729 1
1 413 . 13 1 1 A 73 73 LEU H H 73 7.753 7.755 -0.002 1
1 414 . 13 1 1 A 73 73 LEU HA H 73 3.682 4.150 -0.468 1
1 424 . 13 1 1 A 73 73 LEU C C 73 178.821 178.567 0.254 1
1 425 . 13 1 1 A 73 73 LEU CA C 73 58.671 57.818 0.853 1
1 426 . 13 1 1 A 73 73 LEU CB C 73 42.182 41.815 0.367 1
1 430 . 13 1 1 A 73 73 LEU N N 73 123.340 122.417 0.923 1
1 431 . 13 1 1 A 74 74 LEU H H 74 8.341 8.828 -0.487 1
1 432 . 13 1 1 A 74 74 LEU HA H 74 3.551 3.945 -0.394 1
1 442 . 13 1 1 A 74 74 LEU C C 74 178.832 179.577 -0.745 1
1 443 . 13 1 1 A 74 74 LEU CA C 74 58.293 58.413 -0.120 1
1 444 . 13 1 1 A 74 74 LEU CB C 74 40.530 41.736 -1.206 1
1 448 . 13 1 1 A 74 74 LEU N N 74 118.538 119.426 -0.888 1
1 449 . 13 1 1 A 75 75 GLY H H 75 7.780 8.195 -0.415 1
1 450 . 13 1 1 A 75 75 GLY HA2 H 75 3.648 3.928 -0.280 1
1 451 . 13 1 1 A 75 75 GLY HA3 H 75 3.767 3.956 -0.189 1
1 452 . 13 1 1 A 75 75 GLY C C 75 177.626 176.527 1.099 1
1 453 . 13 1 1 A 75 75 GLY CA C 75 47.290 46.893 0.397 1
1 454 . 13 1 1 A 75 75 GLY N N 75 103.878 105.120 -1.242 1
1 455 . 13 1 1 A 76 76 ARG H H 76 7.637 8.153 -0.516 1
1 456 . 13 1 1 A 76 76 ARG HA H 76 3.908 4.075 -0.167 1
1 463 . 13 1 1 A 76 76 ARG C C 76 179.001 178.555 0.446 1
1 464 . 13 1 1 A 76 76 ARG CA C 76 59.378 59.218 0.160 1
1 465 . 13 1 1 A 76 76 ARG CB C 76 30.767 30.730 0.037 1
1 468 . 13 1 1 A 76 76 ARG N N 76 122.469 122.503 -0.034 1
1 469 . 13 1 1 A 77 77 LEU H H 77 7.922 8.090 -0.168 1
1 470 . 13 1 1 A 77 77 LEU HA H 77 3.812 4.110 -0.298 1
1 480 . 13 1 1 A 77 77 LEU C C 77 179.835 179.762 0.073 1
1 481 . 13 1 1 A 77 77 LEU CA C 77 58.306 58.142 0.164 1
1 482 . 13 1 1 A 77 77 LEU CB C 77 42.365 41.679 0.686 1
1 486 . 13 1 1 A 77 77 LEU N N 77 120.640 119.980 0.660 1
1 487 . 13 1 1 A 78 78 VAL H H 78 8.287 8.322 -0.035 1
1 488 . 13 1 1 A 78 78 VAL HA H 78 3.950 4.122 -0.172 1
1 496 . 13 1 1 A 78 78 VAL C C 78 181.099 177.910 3.189 1
1 497 . 13 1 1 A 78 78 VAL CA C 78 66.044 65.686 0.358 1
1 498 . 13 1 1 A 78 78 VAL CB C 78 32.287 31.484 0.803 1
1 501 . 13 1 1 A 78 78 VAL N N 78 121.179 113.695 7.484 1
1 502 . 13 1 1 A 79 79 LYS H H 79 7.836 8.029 -0.193 1
1 503 . 13 1 1 A 79 79 LYS HA H 79 4.004 4.044 -0.040 1
1 512 . 13 1 1 A 79 79 LYS CA C 79 59.189 59.616 -0.427 1
1 513 . 13 1 1 A 79 79 LYS CB C 79 29.238 32.411 -3.173 1
1 517 . 13 1 1 A 79 79 LYS N N 79 123.239 121.681 1.558 1
1 518 . 13 1 1 A 80 80 LYS HA H 80 4.179 4.100 0.079 1
1 521 . 13 1 1 A 80 80 LYS CA C 80 57.269 59.053 -1.784 1
1 522 . 13 1 1 A 80 80 LYS CB C 80 31.067 32.142 -1.075 1
1 523 . 13 1 1 A 81 81 GLU H H 81 7.801 7.575 0.226 1
1 524 . 13 1 1 A 81 81 GLU HA H 81 4.513 4.582 -0.069 1
1 527 . 13 1 1 A 81 81 GLU CA C 81 57.915 56.231 1.684 1
1 528 . 13 1 1 A 81 81 GLU CB C 81 26.150 31.319 -5.169 1
1 529 . 13 1 1 A 81 81 GLU N N 81 126.946 115.928 11.018 1
1 530 . 13 1 1 A 82 82 MET H H 82 7.978 8.257 -0.279 1
1 531 . 13 1 1 A 82 82 MET HA H 82 3.781 4.536 -0.755 1
1 536 . 13 1 1 A 82 82 MET C C 82 176.695 175.607 1.088 1
1 537 . 13 1 1 A 82 82 MET CA C 82 57.599 57.690 -0.091 1
1 538 . 13 1 1 A 82 82 MET CB C 82 33.067 32.712 0.355 1
1 540 . 13 1 1 A 82 82 MET N N 82 112.370 119.613 -7.243 1
1 541 . 13 1 1 A 83 83 LEU H H 83 6.928 7.867 -0.939 1
1 542 . 13 1 1 A 83 83 LEU HA H 83 5.042 5.024 0.018 1
1 548 . 13 1 1 A 83 83 LEU C C 83 175.376 176.116 -0.740 1
1 549 . 13 1 1 A 83 83 LEU CA C 83 52.193 53.409 -1.216 1
1 550 . 13 1 1 A 83 83 LEU CB C 83 48.040 45.581 2.459 1
1 553 . 13 1 1 A 83 83 LEU N N 83 116.646 118.545 -1.899 1
1 554 . 13 1 1 A 84 84 SER H H 84 9.089 8.939 0.150 1
1 555 . 13 1 1 A 84 84 SER HA H 84 4.711 5.248 -0.537 1
1 558 . 13 1 1 A 84 84 SER C C 84 173.496 173.427 0.069 1
1 559 . 13 1 1 A 84 84 SER CA C 84 56.311 57.248 -0.937 1
1 560 . 13 1 1 A 84 84 SER CB C 84 65.943 65.739 0.204 1
1 561 . 13 1 1 A 84 84 SER N N 84 115.366 117.805 -2.439 1
1 562 . 13 1 1 A 85 85 THR H H 85 8.091 8.669 -0.578 1
1 563 . 13 1 1 A 85 85 THR HA H 85 5.036 5.116 -0.080 1
1 568 . 13 1 1 A 85 85 THR C C 85 173.844 172.055 1.789 1
1 569 . 13 1 1 A 85 85 THR CA C 85 58.919 59.661 -0.742 1
1 570 . 13 1 1 A 85 85 THR CB C 85 71.518 71.152 0.366 1
1 572 . 13 1 1 A 85 85 THR N N 85 110.842 116.336 -5.494 1
1 573 . 13 1 1 A 86 86 GLU H H 86 8.128 8.985 -0.857 1
1 574 . 13 1 1 A 86 86 GLU HA H 86 4.413 5.017 -0.604 1
1 578 . 13 1 1 A 86 86 GLU C C 86 174.693 174.049 0.644 1
1 579 . 13 1 1 A 86 86 GLU CA C 86 54.405 54.452 -0.047 1
1 580 . 13 1 1 A 86 86 GLU CB C 86 33.099 33.483 -0.384 1
1 582 . 13 1 1 A 86 86 GLU N N 86 122.318 125.388 -3.070 1
1 583 . 13 1 1 A 87 87 LYS H H 87 8.622 8.260 0.362 1
1 584 . 13 1 1 A 87 87 LYS HA H 87 4.153 4.125 0.028 1
1 593 . 13 1 1 A 87 87 LYS C C 87 175.909 174.568 1.341 1
1 594 . 13 1 1 A 87 87 LYS CA C 87 56.403 54.661 1.742 1
1 595 . 13 1 1 A 87 87 LYS CB C 87 32.960 33.457 -0.497 1
1 599 . 13 1 1 A 87 87 LYS N N 87 124.854 122.185 2.669 1
1 600 . 13 1 1 A 88 88 GLU HA H 88 4.276 4.537 -0.261 1
1 604 . 13 1 1 A 88 88 GLU C C 88 175.998 176.777 -0.779 1
1 605 . 13 1 1 A 88 88 GLU CA C 88 55.362 55.056 0.306 1
1 606 . 13 1 1 A 88 88 GLU CB C 88 30.945 30.800 0.145 1
1 608 . 13 1 1 A 91 91 LYS H H 91 7.651 7.259 0.392 1
1 609 . 13 1 1 A 91 91 LYS HA H 91 4.456 4.345 0.111 1
1 616 . 13 1 1 A 91 91 LYS C C 91 174.960 175.592 -0.632 1
1 617 . 13 1 1 A 91 91 LYS CA C 91 54.992 56.070 -1.078 1
1 618 . 13 1 1 A 91 91 LYS CB C 91 34.855 33.657 1.198 1
1 622 . 13 1 1 A 91 91 LYS N N 91 119.096 119.606 -0.510 1
1 623 . 13 1 1 A 92 92 PHE H H 92 7.904 9.053 -1.149 1
1 624 . 13 1 1 A 92 92 PHE HA H 92 4.772 5.316 -0.544 1
1 631 . 13 1 1 A 92 92 PHE C C 92 175.183 174.391 0.792 1
1 632 . 13 1 1 A 92 92 PHE CA C 92 57.762 56.823 0.939 1
1 633 . 13 1 1 A 92 92 PHE CB C 92 40.747 43.875 -3.128 1
1 634 . 13 1 1 A 92 92 PHE N N 92 118.936 122.152 -3.216 1
1 635 . 13 1 1 A 93 93 VAL H H 93 8.626 9.019 -0.393 1
1 636 . 13 1 1 A 93 93 VAL HA H 93 4.090 5.242 -1.152 1
1 644 . 13 1 1 A 93 93 VAL C C 93 174.856 172.923 1.933 1
1 645 . 13 1 1 A 93 93 VAL CA C 93 61.228 60.001 1.227 1
1 646 . 13 1 1 A 93 93 VAL CB C 93 33.595 35.957 -2.362 1
1 648 . 13 1 1 A 93 93 VAL N N 93 120.649 119.761 0.888 1
1 649 . 13 1 1 A 94 94 TYR H H 94 8.950 9.297 -0.347 1
1 650 . 13 1 1 A 94 94 TYR HA H 94 5.029 5.303 -0.274 1
1 657 . 13 1 1 A 94 94 TYR C C 94 175.242 175.189 0.053 1
1 658 . 13 1 1 A 94 94 TYR CA C 94 57.619 56.577 1.042 1
1 659 . 13 1 1 A 94 94 TYR CB C 94 41.447 40.514 0.933 1
1 660 . 13 1 1 A 94 94 TYR N N 94 125.589 125.938 -0.349 1
1 661 . 13 1 1 A 95 95 ARG H H 95 8.275 9.059 -0.784 1
1 662 . 13 1 1 A 95 95 ARG HA H 95 5.001 5.083 -0.082 1
1 665 . 13 1 1 A 95 95 ARG CA C 95 53.055 53.810 -0.755 1
1 666 . 13 1 1 A 95 95 ARG N N 95 118.094 121.773 -3.679 1
1 670 . 13 1 1 A 96 96 PRO CA C 96 63.815 62.759 1.056 1
1 671 . 13 1 1 A 96 96 PRO CB C 96 33.778 33.575 0.203 1
1 673 . 13 1 1 A 97 97 LEU H H 97 7.862 8.743 -0.881 1
1 674 . 13 1 1 A 97 97 LEU HA H 97 4.054 4.624 -0.570 1
1 684 . 13 1 1 A 97 97 LEU CA C 97 55.208 54.197 1.011 1
1 685 . 13 1 1 A 97 97 LEU CB C 97 42.072 43.188 -1.116 1
1 1 . 14 1 1 A 36 36 ALA HA H 36 4.250 4.374 -0.124 1
1 5 . 14 1 1 A 36 36 ALA CA C 36 55.550 52.921 2.629 1
1 6 . 14 1 1 A 36 36 ALA CB C 36 19.203 19.436 -0.233 1
1 7 . 14 1 1 A 39 39 ILE HA H 39 4.250 3.697 0.553 1
1 17 . 14 1 1 A 39 39 ILE CA C 39 58.724 65.460 -6.736 1
1 18 . 14 1 1 A 39 39 ILE CB C 39 38.496 37.900 0.596 1
1 22 . 14 1 1 A 40 40 VAL HA H 40 3.198 4.084 -0.886 1
1 30 . 14 1 1 A 40 40 VAL CA C 40 67.086 64.344 2.742 1
1 31 . 14 1 1 A 40 40 VAL CB C 40 30.969 31.441 -0.472 1
1 34 . 14 1 1 A 42 42 ARG HA H 42 3.770 4.429 -0.659 1
1 35 . 14 1 1 A 42 42 ARG CA C 42 55.107 58.685 -3.578 1
1 36 . 14 1 1 A 43 43 VAL H H 43 7.364 8.073 -0.709 1
1 37 . 14 1 1 A 43 43 VAL HA H 43 3.506 3.841 -0.335 1
1 45 . 14 1 1 A 43 43 VAL C C 43 178.600 177.870 0.730 1
1 46 . 14 1 1 A 43 43 VAL CA C 43 66.598 65.325 1.273 1
1 47 . 14 1 1 A 43 43 VAL CB C 43 31.203 31.425 -0.222 1
1 50 . 14 1 1 A 43 43 VAL N N 43 119.765 118.322 1.443 1
1 51 . 14 1 1 A 44 44 ILE H H 44 7.829 7.904 -0.075 1
1 52 . 14 1 1 A 44 44 ILE HA H 44 3.242 3.898 -0.656 1
1 62 . 14 1 1 A 44 44 ILE C C 44 178.289 178.001 0.288 1
1 63 . 14 1 1 A 44 44 ILE CA C 44 66.146 64.262 1.884 1
1 64 . 14 1 1 A 44 44 ILE CB C 44 36.869 37.225 -0.356 1
1 68 . 14 1 1 A 44 44 ILE N N 44 120.991 118.367 2.624 1
1 69 . 14 1 1 A 45 45 TRP H H 45 9.154 7.961 1.193 1
1 70 . 14 1 1 A 45 45 TRP HA H 45 4.377 4.125 0.252 1
1 77 . 14 1 1 A 45 45 TRP C C 45 179.154 179.125 0.029 1
1 78 . 14 1 1 A 45 45 TRP CA C 45 60.749 61.309 -0.560 1
1 79 . 14 1 1 A 45 45 TRP CB C 45 28.620 29.757 -1.137 1
1 80 . 14 1 1 A 45 45 TRP N N 45 119.877 125.899 -6.022 1
1 82 . 14 1 1 A 46 46 SER H H 46 7.556 7.671 -0.115 1
1 83 . 14 1 1 A 46 46 SER HA H 46 4.247 3.304 0.943 1
1 86 . 14 1 1 A 46 46 SER C C 46 175.737 177.076 -1.339 1
1 87 . 14 1 1 A 46 46 SER CA C 46 61.315 60.322 0.993 1
1 88 . 14 1 1 A 46 46 SER CB C 46 63.510 62.504 1.006 1
1 89 . 14 1 1 A 46 46 SER N N 46 113.170 114.046 -0.876 1
1 90 . 14 1 1 A 47 47 LEU H H 47 7.667 7.746 -0.079 1
1 91 . 14 1 1 A 47 47 LEU HA H 47 4.274 4.129 0.145 1
1 101 . 14 1 1 A 47 47 LEU C C 47 178.987 176.964 2.023 1
1 102 . 14 1 1 A 47 47 LEU CA C 47 55.835 56.555 -0.720 1
1 103 . 14 1 1 A 47 47 LEU CB C 47 43.548 42.921 0.627 1
1 107 . 14 1 1 A 47 47 LEU N N 47 120.838 122.163 -1.325 1
1 108 . 14 1 1 A 48 48 GLY H H 48 8.656 7.871 0.785 1
1 109 . 14 1 1 A 48 48 GLY HA2 H 48 4.373 3.981 0.392 1
1 110 . 14 1 1 A 48 48 GLY HA3 H 48 3.296 3.984 -0.688 1
1 111 . 14 1 1 A 48 48 GLY C C 48 173.625 173.618 0.007 1
1 112 . 14 1 1 A 48 48 GLY CA C 48 46.944 45.445 1.499 1
1 113 . 14 1 1 A 48 48 GLY N N 48 113.217 107.511 5.706 1
1 114 . 14 1 1 A 49 49 GLU H H 49 7.347 8.073 -0.726 1
1 115 . 14 1 1 A 49 49 GLU HA H 49 4.830 4.933 -0.103 1
1 120 . 14 1 1 A 49 49 GLU C C 49 174.973 175.097 -0.124 1
1 121 . 14 1 1 A 49 49 GLU CA C 49 55.026 55.124 -0.098 1
1 122 . 14 1 1 A 49 49 GLU CB C 49 31.947 32.389 -0.442 1
1 124 . 14 1 1 A 49 49 GLU N N 49 116.219 120.648 -4.429 1
1 125 . 14 1 1 A 50 50 ALA H H 50 8.598 9.327 -0.729 1
1 126 . 14 1 1 A 50 50 ALA HA H 50 4.817 5.401 -0.584 1
1 130 . 14 1 1 A 50 50 ALA C C 50 176.042 176.246 -0.204 1
1 131 . 14 1 1 A 50 50 ALA CA C 50 52.189 50.336 1.853 1
1 132 . 14 1 1 A 50 50 ALA CB C 50 24.738 22.592 2.146 1
1 133 . 14 1 1 A 50 50 ALA N N 50 122.121 127.457 -5.336 1
1 134 . 14 1 1 A 51 51 ARG H H 51 8.935 9.065 -0.130 1
1 135 . 14 1 1 A 51 51 ARG HA H 51 5.098 4.855 0.243 1
1 142 . 14 1 1 A 51 51 ARG C C 51 178.696 177.915 0.781 1
1 143 . 14 1 1 A 51 51 ARG CA C 51 54.995 55.257 -0.262 1
1 144 . 14 1 1 A 51 51 ARG CB C 51 32.605 31.379 1.226 1
1 147 . 14 1 1 A 51 51 ARG N N 51 121.019 121.365 -0.346 1
1 148 . 14 1 1 A 52 52 VAL H H 52 9.767 8.911 0.856 1
1 149 . 14 1 1 A 52 52 VAL HA H 52 3.494 3.874 -0.380 1
1 157 . 14 1 1 A 52 52 VAL C C 52 176.292 177.161 -0.869 1
1 158 . 14 1 1 A 52 52 VAL CA C 52 67.295 65.496 1.799 1
1 159 . 14 1 1 A 52 52 VAL CB C 52 31.427 32.006 -0.579 1
1 162 . 14 1 1 A 52 52 VAL N N 52 121.483 123.597 -2.114 1
1 163 . 14 1 1 A 53 53 ASP H H 53 8.640 8.885 -0.245 1
1 164 . 14 1 1 A 53 53 ASP HA H 53 4.199 4.472 -0.273 1
1 167 . 14 1 1 A 53 53 ASP C C 53 178.904 178.185 0.719 1
1 168 . 14 1 1 A 53 53 ASP CA C 53 56.797 56.227 0.570 1
1 169 . 14 1 1 A 53 53 ASP CB C 53 39.068 39.038 0.030 1
1 170 . 14 1 1 A 53 53 ASP N N 53 116.987 121.706 -4.719 1
1 171 . 14 1 1 A 54 54 GLU H H 54 7.028 7.891 -0.863 1
1 172 . 14 1 1 A 54 54 GLU HA H 54 4.017 4.114 -0.097 1
1 176 . 14 1 1 A 54 54 GLU C C 54 178.696 179.020 -0.324 1
1 177 . 14 1 1 A 54 54 GLU CA C 54 58.261 58.800 -0.539 1
1 178 . 14 1 1 A 54 54 GLU CB C 54 30.742 29.623 1.119 1
1 180 . 14 1 1 A 54 54 GLU N N 54 119.862 118.899 0.963 1
1 181 . 14 1 1 A 55 55 ILE H H 55 7.639 7.827 -0.188 1
1 182 . 14 1 1 A 55 55 ILE HA H 55 3.345 3.816 -0.471 1
1 192 . 14 1 1 A 55 55 ILE C C 55 177.945 177.604 0.341 1
1 193 . 14 1 1 A 55 55 ILE CA C 55 64.533 64.371 0.162 1
1 194 . 14 1 1 A 55 55 ILE CB C 55 38.824 37.506 1.318 1
1 198 . 14 1 1 A 55 55 ILE N N 55 118.743 119.634 -0.891 1
1 199 . 14 1 1 A 56 56 TYR H H 56 8.548 7.944 0.604 1
1 200 . 14 1 1 A 56 56 TYR HA H 56 4.028 4.104 -0.076 1
1 207 . 14 1 1 A 56 56 TYR C C 56 177.279 177.984 -0.705 1
1 208 . 14 1 1 A 56 56 TYR CA C 56 61.046 62.069 -1.023 1
1 209 . 14 1 1 A 56 56 TYR CB C 56 38.746 38.515 0.231 1
1 210 . 14 1 1 A 56 56 TYR N N 56 117.394 124.149 -6.755 1
1 211 . 14 1 1 A 57 57 ALA H H 57 7.305 7.925 -0.620 1
1 212 . 14 1 1 A 57 57 ALA HA H 57 3.891 3.859 0.032 1
1 216 . 14 1 1 A 57 57 ALA C C 57 178.515 178.869 -0.354 1
1 217 . 14 1 1 A 57 57 ALA CA C 57 53.867 54.800 -0.933 1
1 218 . 14 1 1 A 57 57 ALA CB C 57 18.567 18.367 0.200 1
1 219 . 14 1 1 A 57 57 ALA N N 57 116.845 121.251 -4.406 1
1 220 . 14 1 1 A 58 58 GLN H H 58 7.182 7.812 -0.630 1
1 221 . 14 1 1 A 58 58 GLN HA H 58 4.182 4.260 -0.078 1
1 228 . 14 1 1 A 58 58 GLN C C 58 176.015 174.500 1.515 1
1 229 . 14 1 1 A 58 58 GLN CA C 58 54.679 56.268 -1.589 1
1 230 . 14 1 1 A 58 58 GLN CB C 58 29.584 28.923 0.661 1
1 232 . 14 1 1 A 58 58 GLN N N 58 113.228 114.190 -0.962 1
1 234 . 14 1 1 A 59 59 ILE H H 59 7.051 7.475 -0.424 1
1 235 . 14 1 1 A 59 59 ILE HA H 59 3.829 4.123 -0.294 1
1 245 . 14 1 1 A 59 59 ILE CA C 59 57.557 57.891 -0.334 1
1 246 . 14 1 1 A 59 59 ILE CB C 59 36.090 38.442 -2.352 1
1 250 . 14 1 1 A 59 59 ILE N N 59 121.926 120.615 1.311 1
1 251 . 14 1 1 A 60 60 PRO HA H 60 4.049 4.666 -0.617 1
1 258 . 14 1 1 A 60 60 PRO CA C 60 63.775 61.791 1.984 1
1 259 . 14 1 1 A 60 60 PRO CB C 60 32.050 32.966 -0.916 1
1 262 . 14 1 1 A 61 61 GLN H H 61 8.772 8.534 0.238 1
1 263 . 14 1 1 A 61 61 GLN HA H 61 3.772 4.003 -0.231 1
1 270 . 14 1 1 A 61 61 GLN C C 61 178.654 178.153 0.501 1
1 271 . 14 1 1 A 61 61 GLN CA C 61 58.761 58.406 0.355 1
1 272 . 14 1 1 A 61 61 GLN CB C 61 28.318 28.427 -0.109 1
1 274 . 14 1 1 A 61 61 GLN N N 61 126.284 120.771 5.513 1
1 276 . 14 1 1 A 62 62 GLU H H 62 9.471 7.840 1.631 1
1 277 . 14 1 1 A 62 62 GLU HA H 62 3.971 4.091 -0.120 1
1 282 . 14 1 1 A 62 62 GLU C C 62 177.376 177.735 -0.359 1
1 283 . 14 1 1 A 62 62 GLU CA C 62 58.072 58.705 -0.633 1
1 284 . 14 1 1 A 62 62 GLU CB C 62 28.164 29.326 -1.162 1
1 286 . 14 1 1 A 62 62 GLU N N 62 118.102 120.531 -2.429 1
1 287 . 14 1 1 A 63 63 LEU H H 63 6.792 7.557 -0.765 1
1 288 . 14 1 1 A 63 63 LEU HA H 63 3.717 4.226 -0.509 1
1 298 . 14 1 1 A 63 63 LEU C C 63 176.570 176.249 0.321 1
1 299 . 14 1 1 A 63 63 LEU CA C 63 56.173 55.233 0.940 1
1 300 . 14 1 1 A 63 63 LEU CB C 63 39.610 42.291 -2.681 1
1 304 . 14 1 1 A 63 63 LEU N N 63 118.573 118.346 0.227 1
1 305 . 14 1 1 A 64 64 GLU H H 64 7.589 7.794 -0.205 1
1 306 . 14 1 1 A 64 64 GLU HA H 64 3.782 3.998 -0.216 1
1 311 . 14 1 1 A 64 64 GLU C C 64 176.723 175.738 0.985 1
1 312 . 14 1 1 A 64 64 GLU CA C 64 57.031 57.661 -0.630 1
1 313 . 14 1 1 A 64 64 GLU CB C 64 26.951 27.440 -0.489 1
1 315 . 14 1 1 A 64 64 GLU N N 64 112.960 115.918 -2.958 1
1 316 . 14 1 1 A 65 65 TRP H H 65 8.340 7.778 0.562 1
1 317 . 14 1 1 A 65 65 TRP HA H 65 5.097 4.745 0.352 1
1 323 . 14 1 1 A 65 65 TRP CA C 65 54.697 57.828 -3.131 1
1 324 . 14 1 1 A 65 65 TRP CB C 65 30.450 30.136 0.314 1
1 325 . 14 1 1 A 65 65 TRP N N 65 119.866 121.018 -1.152 1
1 327 . 14 1 1 A 66 66 SER HA H 66 4.700 4.859 -0.159 1
1 330 . 14 1 1 A 66 66 SER CA C 66 56.340 56.586 -0.246 1
1 331 . 14 1 1 A 66 66 SER CB C 66 66.184 65.120 1.064 1
1 332 . 14 1 1 A 67 67 LEU H H 67 8.622 8.522 0.100 1
1 333 . 14 1 1 A 67 67 LEU HA H 67 3.357 3.071 0.286 1
1 343 . 14 1 1 A 67 67 LEU C C 67 178.779 178.285 0.494 1
1 344 . 14 1 1 A 67 67 LEU CA C 67 58.385 58.147 0.238 1
1 345 . 14 1 1 A 67 67 LEU CB C 67 41.218 41.108 0.110 1
1 349 . 14 1 1 A 67 67 LEU N N 67 123.216 128.617 -5.401 1
1 350 . 14 1 1 A 68 68 ALA H H 68 7.987 7.722 0.265 1
1 351 . 14 1 1 A 68 68 ALA HA H 68 3.766 3.981 -0.215 1
1 355 . 14 1 1 A 68 68 ALA C C 68 180.626 179.865 0.761 1
1 356 . 14 1 1 A 68 68 ALA CA C 68 55.431 54.939 0.492 1
1 357 . 14 1 1 A 68 68 ALA CB C 68 17.780 17.982 -0.202 1
1 358 . 14 1 1 A 68 68 ALA N N 68 119.912 120.122 -0.210 1
1 359 . 14 1 1 A 69 69 THR H H 69 7.781 7.857 -0.076 1
1 360 . 14 1 1 A 69 69 THR HA H 69 3.477 3.917 -0.440 1
1 365 . 14 1 1 A 69 69 THR C C 69 176.154 176.314 -0.160 1
1 366 . 14 1 1 A 69 69 THR CA C 69 66.975 66.741 0.234 1
1 367 . 14 1 1 A 69 69 THR CB C 69 68.525 67.757 0.768 1
1 369 . 14 1 1 A 69 69 THR N N 69 118.256 114.767 3.489 1
1 370 . 14 1 1 A 70 70 VAL H H 70 7.373 8.304 -0.931 1
1 371 . 14 1 1 A 70 70 VAL HA H 70 3.201 3.738 -0.537 1
1 379 . 14 1 1 A 70 70 VAL C C 70 177.265 178.073 -0.808 1
1 380 . 14 1 1 A 70 70 VAL CA C 70 67.795 65.395 2.400 1
1 381 . 14 1 1 A 70 70 VAL CB C 70 31.342 31.600 -0.258 1
1 384 . 14 1 1 A 70 70 VAL N N 70 120.502 120.395 0.107 1
1 385 . 14 1 1 A 71 71 LYS H H 71 8.521 7.368 1.153 1
1 386 . 14 1 1 A 71 71 LYS HA H 71 3.659 3.893 -0.234 1
1 395 . 14 1 1 A 71 71 LYS C C 71 180.154 179.187 0.967 1
1 396 . 14 1 1 A 71 71 LYS CA C 71 61.155 59.441 1.714 1
1 397 . 14 1 1 A 71 71 LYS CB C 71 32.114 32.365 -0.251 1
1 401 . 14 1 1 A 71 71 LYS N N 71 118.966 121.535 -2.569 1
1 402 . 14 1 1 A 72 72 THR H H 72 8.160 7.650 0.510 1
1 403 . 14 1 1 A 72 72 THR HA H 72 3.747 4.046 -0.299 1
1 408 . 14 1 1 A 72 72 THR C C 72 177.209 176.690 0.519 1
1 409 . 14 1 1 A 72 72 THR CA C 72 66.978 65.615 1.363 1
1 410 . 14 1 1 A 72 72 THR CB C 72 68.268 68.558 -0.290 1
1 412 . 14 1 1 A 72 72 THR N N 72 119.017 114.371 4.646 1
1 413 . 14 1 1 A 73 73 LEU H H 73 7.753 8.109 -0.356 1
1 414 . 14 1 1 A 73 73 LEU HA H 73 3.682 4.061 -0.379 1
1 424 . 14 1 1 A 73 73 LEU C C 73 178.821 178.227 0.594 1
1 425 . 14 1 1 A 73 73 LEU CA C 73 58.671 58.191 0.480 1
1 426 . 14 1 1 A 73 73 LEU CB C 73 42.182 41.956 0.226 1
1 430 . 14 1 1 A 73 73 LEU N N 73 123.340 122.498 0.842 1
1 431 . 14 1 1 A 74 74 LEU H H 74 8.341 8.672 -0.331 1
1 432 . 14 1 1 A 74 74 LEU HA H 74 3.551 3.939 -0.388 1
1 442 . 14 1 1 A 74 74 LEU C C 74 178.832 178.543 0.289 1
1 443 . 14 1 1 A 74 74 LEU CA C 74 58.293 58.064 0.229 1
1 444 . 14 1 1 A 74 74 LEU CB C 74 40.530 41.830 -1.300 1
1 448 . 14 1 1 A 74 74 LEU N N 74 118.538 119.933 -1.395 1
1 449 . 14 1 1 A 75 75 GLY H H 75 7.780 8.004 -0.224 1
1 450 . 14 1 1 A 75 75 GLY HA2 H 75 3.648 3.894 -0.246 1
1 451 . 14 1 1 A 75 75 GLY HA3 H 75 3.767 3.934 -0.167 1
1 452 . 14 1 1 A 75 75 GLY C C 75 177.626 176.446 1.180 1
1 453 . 14 1 1 A 75 75 GLY CA C 75 47.290 46.977 0.313 1
1 454 . 14 1 1 A 75 75 GLY N N 75 103.878 106.407 -2.529 1
1 455 . 14 1 1 A 76 76 ARG H H 76 7.637 7.930 -0.293 1
1 456 . 14 1 1 A 76 76 ARG HA H 76 3.908 4.111 -0.203 1
1 463 . 14 1 1 A 76 76 ARG C C 76 179.001 178.729 0.272 1
1 464 . 14 1 1 A 76 76 ARG CA C 76 59.378 59.041 0.337 1
1 465 . 14 1 1 A 76 76 ARG CB C 76 30.767 29.612 1.155 1
1 468 . 14 1 1 A 76 76 ARG N N 76 122.469 122.450 0.019 1
1 469 . 14 1 1 A 77 77 LEU H H 77 7.922 7.876 0.046 1
1 470 . 14 1 1 A 77 77 LEU HA H 77 3.812 4.020 -0.208 1
1 480 . 14 1 1 A 77 77 LEU C C 77 179.835 179.265 0.570 1
1 481 . 14 1 1 A 77 77 LEU CA C 77 58.306 58.116 0.190 1
1 482 . 14 1 1 A 77 77 LEU CB C 77 42.365 41.882 0.483 1
1 486 . 14 1 1 A 77 77 LEU N N 77 120.640 120.162 0.478 1
1 487 . 14 1 1 A 78 78 VAL H H 78 8.287 8.036 0.251 1
1 488 . 14 1 1 A 78 78 VAL HA H 78 3.950 3.943 0.007 1
1 496 . 14 1 1 A 78 78 VAL C C 78 181.099 178.086 3.013 1
1 497 . 14 1 1 A 78 78 VAL CA C 78 66.044 65.655 0.389 1
1 498 . 14 1 1 A 78 78 VAL CB C 78 32.287 31.525 0.762 1
1 501 . 14 1 1 A 78 78 VAL N N 78 121.179 114.608 6.571 1
1 502 . 14 1 1 A 79 79 LYS H H 79 7.836 7.867 -0.031 1
1 503 . 14 1 1 A 79 79 LYS HA H 79 4.004 4.195 -0.191 1
1 512 . 14 1 1 A 79 79 LYS CA C 79 59.189 58.696 0.493 1
1 513 . 14 1 1 A 79 79 LYS CB C 79 29.238 32.316 -3.078 1
1 517 . 14 1 1 A 79 79 LYS N N 79 123.239 121.937 1.302 1
1 518 . 14 1 1 A 80 80 LYS HA H 80 4.179 4.417 -0.238 1
1 521 . 14 1 1 A 80 80 LYS CA C 80 57.269 57.058 0.211 1
1 522 . 14 1 1 A 80 80 LYS CB C 80 31.067 32.835 -1.768 1
1 523 . 14 1 1 A 81 81 GLU H H 81 7.801 8.356 -0.555 1
1 524 . 14 1 1 A 81 81 GLU HA H 81 4.513 4.636 -0.123 1
1 527 . 14 1 1 A 81 81 GLU CA C 81 57.915 55.667 2.248 1
1 528 . 14 1 1 A 81 81 GLU CB C 81 26.150 30.598 -4.448 1
1 529 . 14 1 1 A 81 81 GLU N N 81 126.946 115.977 10.969 1
1 530 . 14 1 1 A 82 82 MET H H 82 7.978 8.189 -0.211 1
1 531 . 14 1 1 A 82 82 MET HA H 82 3.781 4.681 -0.900 1
1 536 . 14 1 1 A 82 82 MET C C 82 176.695 175.890 0.805 1
1 537 . 14 1 1 A 82 82 MET CA C 82 57.599 56.359 1.240 1
1 538 . 14 1 1 A 82 82 MET CB C 82 33.067 34.778 -1.711 1
1 540 . 14 1 1 A 82 82 MET N N 82 112.370 117.960 -5.590 1
1 541 . 14 1 1 A 83 83 LEU H H 83 6.928 7.605 -0.677 1
1 542 . 14 1 1 A 83 83 LEU HA H 83 5.042 5.000 0.042 1
1 548 . 14 1 1 A 83 83 LEU C C 83 175.376 175.284 0.092 1
1 549 . 14 1 1 A 83 83 LEU CA C 83 52.193 53.215 -1.022 1
1 550 . 14 1 1 A 83 83 LEU CB C 83 48.040 46.484 1.556 1
1 553 . 14 1 1 A 83 83 LEU N N 83 116.646 117.552 -0.906 1
1 554 . 14 1 1 A 84 84 SER H H 84 9.089 8.644 0.445 1
1 555 . 14 1 1 A 84 84 SER HA H 84 4.711 5.078 -0.367 1
1 558 . 14 1 1 A 84 84 SER C C 84 173.496 172.947 0.549 1
1 559 . 14 1 1 A 84 84 SER CA C 84 56.311 57.704 -1.393 1
1 560 . 14 1 1 A 84 84 SER CB C 84 65.943 67.104 -1.161 1
1 561 . 14 1 1 A 84 84 SER N N 84 115.366 115.507 -0.141 1
1 562 . 14 1 1 A 85 85 THR H H 85 8.091 8.612 -0.521 1
1 563 . 14 1 1 A 85 85 THR HA H 85 5.036 5.132 -0.096 1
1 568 . 14 1 1 A 85 85 THR C C 85 173.844 172.243 1.601 1
1 569 . 14 1 1 A 85 85 THR CA C 85 58.919 60.401 -1.482 1
1 570 . 14 1 1 A 85 85 THR CB C 85 71.518 71.355 0.163 1
1 572 . 14 1 1 A 85 85 THR N N 85 110.842 116.063 -5.221 1
1 573 . 14 1 1 A 86 86 GLU H H 86 8.128 9.106 -0.978 1
1 574 . 14 1 1 A 86 86 GLU HA H 86 4.413 5.015 -0.602 1
1 578 . 14 1 1 A 86 86 GLU C C 86 174.693 174.937 -0.244 1
1 579 . 14 1 1 A 86 86 GLU CA C 86 54.405 54.668 -0.263 1
1 580 . 14 1 1 A 86 86 GLU CB C 86 33.099 33.352 -0.253 1
1 582 . 14 1 1 A 86 86 GLU N N 86 122.318 127.090 -4.772 1
1 583 . 14 1 1 A 87 87 LYS H H 87 8.622 8.400 0.222 1
1 584 . 14 1 1 A 87 87 LYS HA H 87 4.153 4.095 0.058 1
1 593 . 14 1 1 A 87 87 LYS C C 87 175.909 174.643 1.266 1
1 594 . 14 1 1 A 87 87 LYS CA C 87 56.403 56.200 0.203 1
1 595 . 14 1 1 A 87 87 LYS CB C 87 32.960 32.960 0.000 1
1 599 . 14 1 1 A 87 87 LYS N N 87 124.854 123.020 1.834 1
1 600 . 14 1 1 A 88 88 GLU HA H 88 4.276 4.537 -0.261 1
1 604 . 14 1 1 A 88 88 GLU C C 88 175.998 176.495 -0.497 1
1 605 . 14 1 1 A 88 88 GLU CA C 88 55.362 54.994 0.368 1
1 606 . 14 1 1 A 88 88 GLU CB C 88 30.945 30.896 0.049 1
1 608 . 14 1 1 A 91 91 LYS H H 91 7.651 7.099 0.552 1
1 609 . 14 1 1 A 91 91 LYS HA H 91 4.456 4.230 0.226 1
1 616 . 14 1 1 A 91 91 LYS C C 91 174.960 176.145 -1.185 1
1 617 . 14 1 1 A 91 91 LYS CA C 91 54.992 56.285 -1.293 1
1 618 . 14 1 1 A 91 91 LYS CB C 91 34.855 33.455 1.400 1
1 622 . 14 1 1 A 91 91 LYS N N 91 119.096 119.675 -0.579 1
1 623 . 14 1 1 A 92 92 PHE H H 92 7.904 9.041 -1.137 1
1 624 . 14 1 1 A 92 92 PHE HA H 92 4.772 4.890 -0.118 1
1 631 . 14 1 1 A 92 92 PHE C C 92 175.183 175.445 -0.262 1
1 632 . 14 1 1 A 92 92 PHE CA C 92 57.762 57.512 0.250 1
1 633 . 14 1 1 A 92 92 PHE CB C 92 40.747 40.948 -0.201 1
1 634 . 14 1 1 A 92 92 PHE N N 92 118.936 124.942 -6.006 1
1 635 . 14 1 1 A 93 93 VAL H H 93 8.626 8.875 -0.249 1
1 636 . 14 1 1 A 93 93 VAL HA H 93 4.090 5.072 -0.982 1
1 644 . 14 1 1 A 93 93 VAL C C 93 174.856 174.163 0.693 1
1 645 . 14 1 1 A 93 93 VAL CA C 93 61.228 61.493 -0.265 1
1 646 . 14 1 1 A 93 93 VAL CB C 93 33.595 34.897 -1.302 1
1 648 . 14 1 1 A 93 93 VAL N N 93 120.649 120.177 0.472 1
1 649 . 14 1 1 A 94 94 TYR H H 94 8.950 9.666 -0.716 1
1 650 . 14 1 1 A 94 94 TYR HA H 94 5.029 5.298 -0.269 1
1 657 . 14 1 1 A 94 94 TYR C C 94 175.242 175.002 0.240 1
1 658 . 14 1 1 A 94 94 TYR CA C 94 57.619 56.300 1.319 1
1 659 . 14 1 1 A 94 94 TYR CB C 94 41.447 40.543 0.904 1
1 660 . 14 1 1 A 94 94 TYR N N 94 125.589 126.273 -0.684 1
1 661 . 14 1 1 A 95 95 ARG H H 95 8.275 8.895 -0.620 1
1 662 . 14 1 1 A 95 95 ARG HA H 95 5.001 4.963 0.038 1
1 665 . 14 1 1 A 95 95 ARG CA C 95 53.055 53.200 -0.145 1
1 666 . 14 1 1 A 95 95 ARG N N 95 118.094 124.497 -6.403 1
1 670 . 14 1 1 A 96 96 PRO CA C 96 63.815 62.942 0.873 1
1 671 . 14 1 1 A 96 96 PRO CB C 96 33.778 33.308 0.470 1
1 673 . 14 1 1 A 97 97 LEU H H 97 7.862 9.035 -1.173 1
1 674 . 14 1 1 A 97 97 LEU HA H 97 4.054 4.638 -0.584 1
1 684 . 14 1 1 A 97 97 LEU CA C 97 55.208 54.614 0.594 1
1 685 . 14 1 1 A 97 97 LEU CB C 97 42.072 44.810 -2.738 1
1 1 . 15 1 1 A 36 36 ALA HA H 36 4.250 4.083 0.167 1
1 5 . 15 1 1 A 36 36 ALA CA C 36 55.550 55.278 0.272 1
1 6 . 15 1 1 A 36 36 ALA CB C 36 19.203 18.443 0.760 1
1 7 . 15 1 1 A 39 39 ILE HA H 39 4.250 3.641 0.609 1
1 17 . 15 1 1 A 39 39 ILE CA C 39 58.724 65.242 -6.518 1
1 18 . 15 1 1 A 39 39 ILE CB C 39 38.496 38.013 0.483 1
1 22 . 15 1 1 A 40 40 VAL HA H 40 3.198 4.059 -0.861 1
1 30 . 15 1 1 A 40 40 VAL CA C 40 67.086 64.825 2.261 1
1 31 . 15 1 1 A 40 40 VAL CB C 40 30.969 31.192 -0.223 1
1 34 . 15 1 1 A 42 42 ARG HA H 42 3.770 4.927 -1.157 1
1 35 . 15 1 1 A 42 42 ARG CA C 42 55.107 57.373 -2.266 1
1 36 . 15 1 1 A 43 43 VAL H H 43 7.364 8.159 -0.795 1
1 37 . 15 1 1 A 43 43 VAL HA H 43 3.506 3.721 -0.215 1
1 45 . 15 1 1 A 43 43 VAL C C 43 178.600 177.609 0.991 1
1 46 . 15 1 1 A 43 43 VAL CA C 43 66.598 65.677 0.921 1
1 47 . 15 1 1 A 43 43 VAL CB C 43 31.203 31.733 -0.530 1
1 50 . 15 1 1 A 43 43 VAL N N 43 119.765 119.194 0.571 1
1 51 . 15 1 1 A 44 44 ILE H H 44 7.829 8.080 -0.251 1
1 52 . 15 1 1 A 44 44 ILE HA H 44 3.242 3.848 -0.606 1
1 62 . 15 1 1 A 44 44 ILE C C 44 178.289 178.314 -0.025 1
1 63 . 15 1 1 A 44 44 ILE CA C 44 66.146 64.469 1.677 1
1 64 . 15 1 1 A 44 44 ILE CB C 44 36.869 36.501 0.368 1
1 68 . 15 1 1 A 44 44 ILE N N 44 120.991 120.664 0.327 1
1 69 . 15 1 1 A 45 45 TRP H H 45 9.154 8.146 1.008 1
1 70 . 15 1 1 A 45 45 TRP HA H 45 4.377 4.132 0.245 1
1 77 . 15 1 1 A 45 45 TRP C C 45 179.154 179.111 0.043 1
1 78 . 15 1 1 A 45 45 TRP CA C 45 60.749 61.308 -0.559 1
1 79 . 15 1 1 A 45 45 TRP CB C 45 28.620 29.728 -1.108 1
1 80 . 15 1 1 A 45 45 TRP N N 45 119.877 123.328 -3.451 1
1 82 . 15 1 1 A 46 46 SER H H 46 7.556 7.988 -0.432 1
1 83 . 15 1 1 A 46 46 SER HA H 46 4.247 4.151 0.096 1
1 86 . 15 1 1 A 46 46 SER C C 46 175.737 177.123 -1.386 1
1 87 . 15 1 1 A 46 46 SER CA C 46 61.315 61.034 0.281 1
1 88 . 15 1 1 A 46 46 SER CB C 46 63.510 62.710 0.800 1
1 89 . 15 1 1 A 46 46 SER N N 46 113.170 114.576 -1.406 1
1 90 . 15 1 1 A 47 47 LEU H H 47 7.667 7.902 -0.235 1
1 91 . 15 1 1 A 47 47 LEU HA H 47 4.274 4.234 0.040 1
1 101 . 15 1 1 A 47 47 LEU C C 47 178.987 177.034 1.953 1
1 102 . 15 1 1 A 47 47 LEU CA C 47 55.835 56.646 -0.811 1
1 103 . 15 1 1 A 47 47 LEU CB C 47 43.548 43.012 0.536 1
1 107 . 15 1 1 A 47 47 LEU N N 47 120.838 121.947 -1.109 1
1 108 . 15 1 1 A 48 48 GLY H H 48 8.656 8.597 0.059 1
1 109 . 15 1 1 A 48 48 GLY HA2 H 48 4.373 4.073 0.300 1
1 110 . 15 1 1 A 48 48 GLY HA3 H 48 3.296 4.098 -0.802 1
1 111 . 15 1 1 A 48 48 GLY C C 48 173.625 173.425 0.200 1
1 112 . 15 1 1 A 48 48 GLY CA C 48 46.944 45.628 1.316 1
1 113 . 15 1 1 A 48 48 GLY N N 48 113.217 107.576 5.641 1
1 114 . 15 1 1 A 49 49 GLU H H 49 7.347 7.800 -0.453 1
1 115 . 15 1 1 A 49 49 GLU HA H 49 4.830 4.957 -0.127 1
1 120 . 15 1 1 A 49 49 GLU C C 49 174.973 174.779 0.194 1
1 121 . 15 1 1 A 49 49 GLU CA C 49 55.026 54.863 0.163 1
1 122 . 15 1 1 A 49 49 GLU CB C 49 31.947 31.919 0.028 1
1 124 . 15 1 1 A 49 49 GLU N N 49 116.219 116.576 -0.357 1
1 125 . 15 1 1 A 50 50 ALA H H 50 8.598 9.121 -0.523 1
1 126 . 15 1 1 A 50 50 ALA HA H 50 4.817 5.347 -0.530 1
1 130 . 15 1 1 A 50 50 ALA C C 50 176.042 177.518 -1.476 1
1 131 . 15 1 1 A 50 50 ALA CA C 50 52.189 50.285 1.904 1
1 132 . 15 1 1 A 50 50 ALA CB C 50 24.738 20.881 3.857 1
1 133 . 15 1 1 A 50 50 ALA N N 50 122.121 127.984 -5.863 1
1 134 . 15 1 1 A 51 51 ARG H H 51 8.935 9.073 -0.138 1
1 135 . 15 1 1 A 51 51 ARG HA H 51 5.098 4.663 0.435 1
1 142 . 15 1 1 A 51 51 ARG C C 51 178.696 177.931 0.765 1
1 143 . 15 1 1 A 51 51 ARG CA C 51 54.995 55.710 -0.715 1
1 144 . 15 1 1 A 51 51 ARG CB C 51 32.605 31.143 1.462 1
1 147 . 15 1 1 A 51 51 ARG N N 51 121.019 121.883 -0.864 1
1 148 . 15 1 1 A 52 52 VAL H H 52 9.767 9.045 0.722 1
1 149 . 15 1 1 A 52 52 VAL HA H 52 3.494 4.017 -0.523 1
1 157 . 15 1 1 A 52 52 VAL C C 52 176.292 177.517 -1.225 1
1 158 . 15 1 1 A 52 52 VAL CA C 52 67.295 65.157 2.138 1
1 159 . 15 1 1 A 52 52 VAL CB C 52 31.427 31.739 -0.312 1
1 162 . 15 1 1 A 52 52 VAL N N 52 121.483 123.334 -1.851 1
1 163 . 15 1 1 A 53 53 ASP H H 53 8.640 8.495 0.145 1
1 164 . 15 1 1 A 53 53 ASP HA H 53 4.199 4.466 -0.267 1
1 167 . 15 1 1 A 53 53 ASP C C 53 178.904 178.584 0.320 1
1 168 . 15 1 1 A 53 53 ASP CA C 53 56.797 57.767 -0.970 1
1 169 . 15 1 1 A 53 53 ASP CB C 53 39.068 41.217 -2.149 1
1 170 . 15 1 1 A 53 53 ASP N N 53 116.987 121.384 -4.397 1
1 171 . 15 1 1 A 54 54 GLU H H 54 7.028 8.009 -0.981 1
1 172 . 15 1 1 A 54 54 GLU HA H 54 4.017 4.145 -0.128 1
1 176 . 15 1 1 A 54 54 GLU C C 54 178.696 179.462 -0.766 1
1 177 . 15 1 1 A 54 54 GLU CA C 54 58.261 59.206 -0.945 1
1 178 . 15 1 1 A 54 54 GLU CB C 54 30.742 30.247 0.495 1
1 180 . 15 1 1 A 54 54 GLU N N 54 119.862 118.718 1.144 1
1 181 . 15 1 1 A 55 55 ILE H H 55 7.639 7.681 -0.042 1
1 182 . 15 1 1 A 55 55 ILE HA H 55 3.345 3.837 -0.492 1
1 192 . 15 1 1 A 55 55 ILE C C 55 177.945 177.488 0.457 1
1 193 . 15 1 1 A 55 55 ILE CA C 55 64.533 64.473 0.060 1
1 194 . 15 1 1 A 55 55 ILE CB C 55 38.824 37.591 1.233 1
1 198 . 15 1 1 A 55 55 ILE N N 55 118.743 118.239 0.504 1
1 199 . 15 1 1 A 56 56 TYR H H 56 8.548 8.363 0.185 1
1 200 . 15 1 1 A 56 56 TYR HA H 56 4.028 4.147 -0.119 1
1 207 . 15 1 1 A 56 56 TYR C C 56 177.279 177.722 -0.443 1
1 208 . 15 1 1 A 56 56 TYR CA C 56 61.046 61.848 -0.802 1
1 209 . 15 1 1 A 56 56 TYR CB C 56 38.746 38.184 0.562 1
1 210 . 15 1 1 A 56 56 TYR N N 56 117.394 124.346 -6.952 1
1 211 . 15 1 1 A 57 57 ALA H H 57 7.305 8.410 -1.105 1
1 212 . 15 1 1 A 57 57 ALA HA H 57 3.891 3.848 0.043 1
1 216 . 15 1 1 A 57 57 ALA C C 57 178.515 178.908 -0.393 1
1 217 . 15 1 1 A 57 57 ALA CA C 57 53.867 54.864 -0.997 1
1 218 . 15 1 1 A 57 57 ALA CB C 57 18.567 18.252 0.315 1
1 219 . 15 1 1 A 57 57 ALA N N 57 116.845 121.356 -4.511 1
1 220 . 15 1 1 A 58 58 GLN H H 58 7.182 7.380 -0.198 1
1 221 . 15 1 1 A 58 58 GLN HA H 58 4.182 4.281 -0.099 1
1 228 . 15 1 1 A 58 58 GLN C C 58 176.015 175.429 0.586 1
1 229 . 15 1 1 A 58 58 GLN CA C 58 54.679 57.194 -2.515 1
1 230 . 15 1 1 A 58 58 GLN CB C 58 29.584 29.096 0.488 1
1 232 . 15 1 1 A 58 58 GLN N N 58 113.228 114.465 -1.237 1
1 234 . 15 1 1 A 59 59 ILE H H 59 7.051 7.742 -0.691 1
1 235 . 15 1 1 A 59 59 ILE HA H 59 3.829 4.118 -0.289 1
1 245 . 15 1 1 A 59 59 ILE CA C 59 57.557 57.813 -0.256 1
1 246 . 15 1 1 A 59 59 ILE CB C 59 36.090 38.302 -2.212 1
1 250 . 15 1 1 A 59 59 ILE N N 59 121.926 121.424 0.502 1
1 251 . 15 1 1 A 60 60 PRO HA H 60 4.049 4.670 -0.621 1
1 258 . 15 1 1 A 60 60 PRO CA C 60 63.775 61.772 2.003 1
1 259 . 15 1 1 A 60 60 PRO CB C 60 32.050 33.082 -1.032 1
1 262 . 15 1 1 A 61 61 GLN H H 61 8.772 8.544 0.228 1
1 263 . 15 1 1 A 61 61 GLN HA H 61 3.772 3.951 -0.179 1
1 270 . 15 1 1 A 61 61 GLN C C 61 178.654 178.116 0.538 1
1 271 . 15 1 1 A 61 61 GLN CA C 61 58.761 58.515 0.246 1
1 272 . 15 1 1 A 61 61 GLN CB C 61 28.318 28.023 0.295 1
1 274 . 15 1 1 A 61 61 GLN N N 61 126.284 120.692 5.592 1
1 276 . 15 1 1 A 62 62 GLU H H 62 9.471 8.100 1.371 1
1 277 . 15 1 1 A 62 62 GLU HA H 62 3.971 4.043 -0.072 1
1 282 . 15 1 1 A 62 62 GLU C C 62 177.376 177.784 -0.408 1
1 283 . 15 1 1 A 62 62 GLU CA C 62 58.072 58.914 -0.842 1
1 284 . 15 1 1 A 62 62 GLU CB C 62 28.164 29.417 -1.253 1
1 286 . 15 1 1 A 62 62 GLU N N 62 118.102 118.827 -0.725 1
1 287 . 15 1 1 A 63 63 LEU H H 63 6.792 7.252 -0.460 1
1 288 . 15 1 1 A 63 63 LEU HA H 63 3.717 4.252 -0.535 1
1 298 . 15 1 1 A 63 63 LEU C C 63 176.570 176.188 0.382 1
1 299 . 15 1 1 A 63 63 LEU CA C 63 56.173 54.963 1.210 1
1 300 . 15 1 1 A 63 63 LEU CB C 63 39.610 42.139 -2.529 1
1 304 . 15 1 1 A 63 63 LEU N N 63 118.573 118.381 0.192 1
1 305 . 15 1 1 A 64 64 GLU H H 64 7.589 7.591 -0.002 1
1 306 . 15 1 1 A 64 64 GLU HA H 64 3.782 3.935 -0.153 1
1 311 . 15 1 1 A 64 64 GLU C C 64 176.723 175.007 1.716 1
1 312 . 15 1 1 A 64 64 GLU CA C 64 57.031 57.533 -0.502 1
1 313 . 15 1 1 A 64 64 GLU CB C 64 26.951 27.274 -0.323 1
1 315 . 15 1 1 A 64 64 GLU N N 64 112.960 116.398 -3.438 1
1 316 . 15 1 1 A 65 65 TRP H H 65 8.340 7.796 0.544 1
1 317 . 15 1 1 A 65 65 TRP HA H 65 5.097 5.019 0.078 1
1 323 . 15 1 1 A 65 65 TRP CA C 65 54.697 56.329 -1.632 1
1 324 . 15 1 1 A 65 65 TRP CB C 65 30.450 31.909 -1.459 1
1 325 . 15 1 1 A 65 65 TRP N N 65 119.866 120.199 -0.333 1
1 327 . 15 1 1 A 66 66 SER HA H 66 4.700 4.838 -0.138 1
1 330 . 15 1 1 A 66 66 SER CA C 66 56.340 57.291 -0.951 1
1 331 . 15 1 1 A 66 66 SER CB C 66 66.184 65.927 0.257 1
1 332 . 15 1 1 A 67 67 LEU H H 67 8.622 8.454 0.168 1
1 333 . 15 1 1 A 67 67 LEU HA H 67 3.357 3.273 0.084 1
1 343 . 15 1 1 A 67 67 LEU C C 67 178.779 178.409 0.370 1
1 344 . 15 1 1 A 67 67 LEU CA C 67 58.385 58.007 0.378 1
1 345 . 15 1 1 A 67 67 LEU CB C 67 41.218 40.968 0.250 1
1 349 . 15 1 1 A 67 67 LEU N N 67 123.216 127.323 -4.107 1
1 350 . 15 1 1 A 68 68 ALA H H 68 7.987 8.071 -0.084 1
1 351 . 15 1 1 A 68 68 ALA HA H 68 3.766 3.956 -0.190 1
1 355 . 15 1 1 A 68 68 ALA C C 68 180.626 180.099 0.527 1
1 356 . 15 1 1 A 68 68 ALA CA C 68 55.431 54.929 0.502 1
1 357 . 15 1 1 A 68 68 ALA CB C 68 17.780 17.956 -0.176 1
1 358 . 15 1 1 A 68 68 ALA N N 68 119.912 120.286 -0.374 1
1 359 . 15 1 1 A 69 69 THR H H 69 7.781 7.843 -0.062 1
1 360 . 15 1 1 A 69 69 THR HA H 69 3.477 3.859 -0.382 1
1 365 . 15 1 1 A 69 69 THR C C 69 176.154 176.107 0.047 1
1 366 . 15 1 1 A 69 69 THR CA C 69 66.975 66.762 0.213 1
1 367 . 15 1 1 A 69 69 THR CB C 69 68.525 67.992 0.533 1
1 369 . 15 1 1 A 69 69 THR N N 69 118.256 114.820 3.436 1
1 370 . 15 1 1 A 70 70 VAL H H 70 7.373 8.316 -0.943 1
1 371 . 15 1 1 A 70 70 VAL HA H 70 3.201 3.735 -0.534 1
1 379 . 15 1 1 A 70 70 VAL C C 70 177.265 177.934 -0.669 1
1 380 . 15 1 1 A 70 70 VAL CA C 70 67.795 65.387 2.408 1
1 381 . 15 1 1 A 70 70 VAL CB C 70 31.342 31.552 -0.210 1
1 384 . 15 1 1 A 70 70 VAL N N 70 120.502 120.145 0.357 1
1 385 . 15 1 1 A 71 71 LYS H H 71 8.521 7.262 1.259 1
1 386 . 15 1 1 A 71 71 LYS HA H 71 3.659 3.852 -0.193 1
1 395 . 15 1 1 A 71 71 LYS C C 71 180.154 179.342 0.812 1
1 396 . 15 1 1 A 71 71 LYS CA C 71 61.155 59.451 1.704 1
1 397 . 15 1 1 A 71 71 LYS CB C 71 32.114 32.280 -0.166 1
1 401 . 15 1 1 A 71 71 LYS N N 71 118.966 121.642 -2.676 1
1 402 . 15 1 1 A 72 72 THR H H 72 8.160 7.678 0.482 1
1 403 . 15 1 1 A 72 72 THR HA H 72 3.747 3.986 -0.239 1
1 408 . 15 1 1 A 72 72 THR C C 72 177.209 176.523 0.686 1
1 409 . 15 1 1 A 72 72 THR CA C 72 66.978 65.470 1.508 1
1 410 . 15 1 1 A 72 72 THR CB C 72 68.268 68.668 -0.400 1
1 412 . 15 1 1 A 72 72 THR N N 72 119.017 114.243 4.774 1
1 413 . 15 1 1 A 73 73 LEU H H 73 7.753 7.906 -0.153 1
1 414 . 15 1 1 A 73 73 LEU HA H 73 3.682 4.081 -0.399 1
1 424 . 15 1 1 A 73 73 LEU C C 73 178.821 178.149 0.672 1
1 425 . 15 1 1 A 73 73 LEU CA C 73 58.671 58.163 0.508 1
1 426 . 15 1 1 A 73 73 LEU CB C 73 42.182 41.779 0.403 1
1 430 . 15 1 1 A 73 73 LEU N N 73 123.340 122.621 0.719 1
1 431 . 15 1 1 A 74 74 LEU H H 74 8.341 8.512 -0.171 1
1 432 . 15 1 1 A 74 74 LEU HA H 74 3.551 3.899 -0.348 1
1 442 . 15 1 1 A 74 74 LEU C C 74 178.832 178.591 0.241 1
1 443 . 15 1 1 A 74 74 LEU CA C 74 58.293 58.017 0.276 1
1 444 . 15 1 1 A 74 74 LEU CB C 74 40.530 41.721 -1.191 1
1 448 . 15 1 1 A 74 74 LEU N N 74 118.538 119.765 -1.227 1
1 449 . 15 1 1 A 75 75 GLY H H 75 7.780 8.154 -0.374 1
1 450 . 15 1 1 A 75 75 GLY HA2 H 75 3.648 3.869 -0.221 1
1 451 . 15 1 1 A 75 75 GLY HA3 H 75 3.767 3.896 -0.129 1
1 452 . 15 1 1 A 75 75 GLY C C 75 177.626 176.418 1.208 1
1 453 . 15 1 1 A 75 75 GLY CA C 75 47.290 46.882 0.408 1
1 454 . 15 1 1 A 75 75 GLY N N 75 103.878 106.329 -2.451 1
1 455 . 15 1 1 A 76 76 ARG H H 76 7.637 7.960 -0.323 1
1 456 . 15 1 1 A 76 76 ARG HA H 76 3.908 4.076 -0.168 1
1 463 . 15 1 1 A 76 76 ARG C C 76 179.001 178.628 0.373 1
1 464 . 15 1 1 A 76 76 ARG CA C 76 59.378 58.959 0.419 1
1 465 . 15 1 1 A 76 76 ARG CB C 76 30.767 29.883 0.884 1
1 468 . 15 1 1 A 76 76 ARG N N 76 122.469 122.405 0.064 1
1 469 . 15 1 1 A 77 77 LEU H H 77 7.922 7.894 0.028 1
1 470 . 15 1 1 A 77 77 LEU HA H 77 3.812 4.053 -0.241 1
1 480 . 15 1 1 A 77 77 LEU C C 77 179.835 179.195 0.640 1
1 481 . 15 1 1 A 77 77 LEU CA C 77 58.306 58.122 0.184 1
1 482 . 15 1 1 A 77 77 LEU CB C 77 42.365 41.802 0.563 1
1 486 . 15 1 1 A 77 77 LEU N N 77 120.640 120.372 0.268 1
1 487 . 15 1 1 A 78 78 VAL H H 78 8.287 7.915 0.372 1
1 488 . 15 1 1 A 78 78 VAL HA H 78 3.950 4.139 -0.189 1
1 496 . 15 1 1 A 78 78 VAL C C 78 181.099 177.613 3.486 1
1 497 . 15 1 1 A 78 78 VAL CA C 78 66.044 65.461 0.583 1
1 498 . 15 1 1 A 78 78 VAL CB C 78 32.287 31.328 0.959 1
1 501 . 15 1 1 A 78 78 VAL N N 78 121.179 114.311 6.868 1
1 502 . 15 1 1 A 79 79 LYS H H 79 7.836 7.887 -0.051 1
1 503 . 15 1 1 A 79 79 LYS HA H 79 4.004 4.156 -0.152 1
1 512 . 15 1 1 A 79 79 LYS CA C 79 59.189 58.812 0.377 1
1 513 . 15 1 1 A 79 79 LYS CB C 79 29.238 32.426 -3.188 1
1 517 . 15 1 1 A 79 79 LYS N N 79 123.239 121.312 1.927 1
1 518 . 15 1 1 A 80 80 LYS HA H 80 4.179 4.519 -0.340 1
1 521 . 15 1 1 A 80 80 LYS CA C 80 57.269 55.533 1.736 1
1 522 . 15 1 1 A 80 80 LYS CB C 80 31.067 33.394 -2.327 1
1 523 . 15 1 1 A 81 81 GLU H H 81 7.801 8.546 -0.745 1
1 524 . 15 1 1 A 81 81 GLU HA H 81 4.513 4.669 -0.156 1
1 527 . 15 1 1 A 81 81 GLU CA C 81 57.915 55.211 2.704 1
1 528 . 15 1 1 A 81 81 GLU CB C 81 26.150 30.838 -4.688 1
1 529 . 15 1 1 A 81 81 GLU N N 81 126.946 122.628 4.318 1
1 530 . 15 1 1 A 82 82 MET H H 82 7.978 7.669 0.309 1
1 531 . 15 1 1 A 82 82 MET HA H 82 3.781 4.203 -0.422 1
1 536 . 15 1 1 A 82 82 MET C C 82 176.695 175.931 0.764 1
1 537 . 15 1 1 A 82 82 MET CA C 82 57.599 58.418 -0.819 1
1 538 . 15 1 1 A 82 82 MET CB C 82 33.067 33.607 -0.540 1
1 540 . 15 1 1 A 82 82 MET N N 82 112.370 119.802 -7.432 1
1 541 . 15 1 1 A 83 83 LEU H H 83 6.928 7.772 -0.844 1
1 542 . 15 1 1 A 83 83 LEU HA H 83 5.042 4.751 0.291 1
1 548 . 15 1 1 A 83 83 LEU C C 83 175.376 174.516 0.860 1
1 549 . 15 1 1 A 83 83 LEU CA C 83 52.193 53.596 -1.403 1
1 550 . 15 1 1 A 83 83 LEU CB C 83 48.040 44.815 3.225 1
1 553 . 15 1 1 A 83 83 LEU N N 83 116.646 115.275 1.371 1
1 554 . 15 1 1 A 84 84 SER H H 84 9.089 8.526 0.563 1
1 555 . 15 1 1 A 84 84 SER HA H 84 4.711 5.478 -0.767 1
1 558 . 15 1 1 A 84 84 SER C C 84 173.496 173.235 0.261 1
1 559 . 15 1 1 A 84 84 SER CA C 84 56.311 57.474 -1.163 1
1 560 . 15 1 1 A 84 84 SER CB C 84 65.943 66.989 -1.046 1
1 561 . 15 1 1 A 84 84 SER N N 84 115.366 115.260 0.106 1
1 562 . 15 1 1 A 85 85 THR H H 85 8.091 8.766 -0.675 1
1 563 . 15 1 1 A 85 85 THR HA H 85 5.036 5.309 -0.273 1
1 568 . 15 1 1 A 85 85 THR C C 85 173.844 171.777 2.067 1
1 569 . 15 1 1 A 85 85 THR CA C 85 58.919 59.759 -0.840 1
1 570 . 15 1 1 A 85 85 THR CB C 85 71.518 71.453 0.065 1
1 572 . 15 1 1 A 85 85 THR N N 85 110.842 115.476 -4.634 1
1 573 . 15 1 1 A 86 86 GLU H H 86 8.128 8.966 -0.838 1
1 574 . 15 1 1 A 86 86 GLU HA H 86 4.413 4.986 -0.573 1
1 578 . 15 1 1 A 86 86 GLU C C 86 174.693 174.626 0.067 1
1 579 . 15 1 1 A 86 86 GLU CA C 86 54.405 54.564 -0.159 1
1 580 . 15 1 1 A 86 86 GLU CB C 86 33.099 34.136 -1.037 1
1 582 . 15 1 1 A 86 86 GLU N N 86 122.318 125.827 -3.509 1
1 583 . 15 1 1 A 87 87 LYS H H 87 8.622 8.581 0.041 1
1 584 . 15 1 1 A 87 87 LYS HA H 87 4.153 4.951 -0.798 1
1 593 . 15 1 1 A 87 87 LYS C C 87 175.909 174.819 1.090 1
1 594 . 15 1 1 A 87 87 LYS CA C 87 56.403 54.462 1.941 1
1 595 . 15 1 1 A 87 87 LYS CB C 87 32.960 35.638 -2.678 1
1 599 . 15 1 1 A 87 87 LYS N N 87 124.854 123.176 1.678 1
1 600 . 15 1 1 A 88 88 GLU HA H 88 4.276 4.540 -0.264 1
1 604 . 15 1 1 A 88 88 GLU C C 88 175.998 176.545 -0.547 1
1 605 . 15 1 1 A 88 88 GLU CA C 88 55.362 54.943 0.419 1
1 606 . 15 1 1 A 88 88 GLU CB C 88 30.945 31.010 -0.065 1
1 608 . 15 1 1 A 91 91 LYS H H 91 7.651 7.723 -0.072 1
1 609 . 15 1 1 A 91 91 LYS HA H 91 4.456 4.621 -0.165 1
1 616 . 15 1 1 A 91 91 LYS C C 91 174.960 175.765 -0.805 1
1 617 . 15 1 1 A 91 91 LYS CA C 91 54.992 54.815 0.177 1
1 618 . 15 1 1 A 91 91 LYS CB C 91 34.855 33.924 0.931 1
1 622 . 15 1 1 A 91 91 LYS N N 91 119.096 119.302 -0.206 1
1 623 . 15 1 1 A 92 92 PHE H H 92 7.904 8.972 -1.068 1
1 624 . 15 1 1 A 92 92 PHE HA H 92 4.772 5.072 -0.300 1
1 631 . 15 1 1 A 92 92 PHE C C 92 175.183 175.358 -0.175 1
1 632 . 15 1 1 A 92 92 PHE CA C 92 57.762 57.175 0.587 1
1 633 . 15 1 1 A 92 92 PHE CB C 92 40.747 40.967 -0.220 1
1 634 . 15 1 1 A 92 92 PHE N N 92 118.936 118.968 -0.032 1
1 635 . 15 1 1 A 93 93 VAL H H 93 8.626 8.846 -0.220 1
1 636 . 15 1 1 A 93 93 VAL HA H 93 4.090 4.972 -0.882 1
1 644 . 15 1 1 A 93 93 VAL C C 93 174.856 174.237 0.619 1
1 645 . 15 1 1 A 93 93 VAL CA C 93 61.228 61.563 -0.335 1
1 646 . 15 1 1 A 93 93 VAL CB C 93 33.595 34.329 -0.734 1
1 648 . 15 1 1 A 93 93 VAL N N 93 120.649 119.916 0.733 1
1 649 . 15 1 1 A 94 94 TYR H H 94 8.950 9.337 -0.387 1
1 650 . 15 1 1 A 94 94 TYR HA H 94 5.029 5.258 -0.229 1
1 657 . 15 1 1 A 94 94 TYR C C 94 175.242 175.674 -0.432 1
1 658 . 15 1 1 A 94 94 TYR CA C 94 57.619 56.932 0.687 1
1 659 . 15 1 1 A 94 94 TYR CB C 94 41.447 39.568 1.879 1
1 660 . 15 1 1 A 94 94 TYR N N 94 125.589 126.304 -0.715 1
1 661 . 15 1 1 A 95 95 ARG H H 95 8.275 9.100 -0.825 1
1 662 . 15 1 1 A 95 95 ARG HA H 95 5.001 5.085 -0.084 1
1 665 . 15 1 1 A 95 95 ARG CA C 95 53.055 53.845 -0.790 1
1 666 . 15 1 1 A 95 95 ARG N N 95 118.094 121.431 -3.337 1
1 670 . 15 1 1 A 96 96 PRO CA C 96 63.815 62.453 1.362 1
1 671 . 15 1 1 A 96 96 PRO CB C 96 33.778 33.281 0.497 1
1 673 . 15 1 1 A 97 97 LEU H H 97 7.862 8.151 -0.289 1
1 674 . 15 1 1 A 97 97 LEU HA H 97 4.054 4.756 -0.702 1
1 684 . 15 1 1 A 97 97 LEU CA C 97 55.208 53.773 1.435 1
1 685 . 15 1 1 A 97 97 LEU CB C 97 42.072 42.390 -0.318 1
1 1 . 16 1 1 A 36 36 ALA HA H 36 4.250 4.321 -0.071 1
1 5 . 16 1 1 A 36 36 ALA CA C 36 55.550 55.375 0.175 1
1 6 . 16 1 1 A 36 36 ALA CB C 36 19.203 18.323 0.880 1
1 7 . 16 1 1 A 39 39 ILE HA H 39 4.250 3.825 0.425 1
1 17 . 16 1 1 A 39 39 ILE CA C 39 58.724 64.198 -5.474 1
1 18 . 16 1 1 A 39 39 ILE CB C 39 38.496 37.698 0.798 1
1 22 . 16 1 1 A 40 40 VAL HA H 40 3.198 3.929 -0.731 1
1 30 . 16 1 1 A 40 40 VAL CA C 40 67.086 65.374 1.712 1
1 31 . 16 1 1 A 40 40 VAL CB C 40 30.969 31.578 -0.609 1
1 34 . 16 1 1 A 42 42 ARG HA H 42 3.770 4.479 -0.709 1
1 35 . 16 1 1 A 42 42 ARG CA C 42 55.107 58.569 -3.462 1
1 36 . 16 1 1 A 43 43 VAL H H 43 7.364 7.813 -0.449 1
1 37 . 16 1 1 A 43 43 VAL HA H 43 3.506 3.736 -0.230 1
1 45 . 16 1 1 A 43 43 VAL C C 43 178.600 178.216 0.384 1
1 46 . 16 1 1 A 43 43 VAL CA C 43 66.598 65.960 0.638 1
1 47 . 16 1 1 A 43 43 VAL CB C 43 31.203 31.731 -0.528 1
1 50 . 16 1 1 A 43 43 VAL N N 43 119.765 118.731 1.034 1
1 51 . 16 1 1 A 44 44 ILE H H 44 7.829 7.733 0.096 1
1 52 . 16 1 1 A 44 44 ILE HA H 44 3.242 3.824 -0.582 1
1 62 . 16 1 1 A 44 44 ILE C C 44 178.289 178.452 -0.163 1
1 63 . 16 1 1 A 44 44 ILE CA C 44 66.146 64.610 1.536 1
1 64 . 16 1 1 A 44 44 ILE CB C 44 36.869 37.003 -0.134 1
1 68 . 16 1 1 A 44 44 ILE N N 44 120.991 120.765 0.226 1
1 69 . 16 1 1 A 45 45 TRP H H 45 9.154 8.159 0.995 1
1 70 . 16 1 1 A 45 45 TRP HA H 45 4.377 4.126 0.251 1
1 77 . 16 1 1 A 45 45 TRP C C 45 179.154 179.148 0.006 1
1 78 . 16 1 1 A 45 45 TRP CA C 45 60.749 61.355 -0.606 1
1 79 . 16 1 1 A 45 45 TRP CB C 45 28.620 29.717 -1.097 1
1 80 . 16 1 1 A 45 45 TRP N N 45 119.877 122.949 -3.072 1
1 82 . 16 1 1 A 46 46 SER H H 46 7.556 7.517 0.039 1
1 83 . 16 1 1 A 46 46 SER HA H 46 4.247 3.860 0.387 1
1 86 . 16 1 1 A 46 46 SER C C 46 175.737 177.067 -1.330 1
1 87 . 16 1 1 A 46 46 SER CA C 46 61.315 60.848 0.467 1
1 88 . 16 1 1 A 46 46 SER CB C 46 63.510 62.724 0.786 1
1 89 . 16 1 1 A 46 46 SER N N 46 113.170 114.313 -1.143 1
1 90 . 16 1 1 A 47 47 LEU H H 47 7.667 7.654 0.013 1
1 91 . 16 1 1 A 47 47 LEU HA H 47 4.274 4.061 0.213 1
1 101 . 16 1 1 A 47 47 LEU C C 47 178.987 176.837 2.150 1
1 102 . 16 1 1 A 47 47 LEU CA C 47 55.835 56.489 -0.654 1
1 103 . 16 1 1 A 47 47 LEU CB C 47 43.548 42.747 0.801 1
1 107 . 16 1 1 A 47 47 LEU N N 47 120.838 120.251 0.587 1
1 108 . 16 1 1 A 48 48 GLY H H 48 8.656 8.930 -0.274 1
1 109 . 16 1 1 A 48 48 GLY HA2 H 48 4.373 4.010 0.363 1
1 110 . 16 1 1 A 48 48 GLY HA3 H 48 3.296 4.037 -0.741 1
1 111 . 16 1 1 A 48 48 GLY C C 48 173.625 173.408 0.217 1
1 112 . 16 1 1 A 48 48 GLY CA C 48 46.944 45.542 1.402 1
1 113 . 16 1 1 A 48 48 GLY N N 48 113.217 107.726 5.491 1
1 114 . 16 1 1 A 49 49 GLU H H 49 7.347 7.934 -0.587 1
1 115 . 16 1 1 A 49 49 GLU HA H 49 4.830 4.891 -0.061 1
1 120 . 16 1 1 A 49 49 GLU C C 49 174.973 174.165 0.808 1
1 121 . 16 1 1 A 49 49 GLU CA C 49 55.026 55.413 -0.387 1
1 122 . 16 1 1 A 49 49 GLU CB C 49 31.947 33.284 -1.337 1
1 124 . 16 1 1 A 49 49 GLU N N 49 116.219 121.209 -4.990 1
1 125 . 16 1 1 A 50 50 ALA H H 50 8.598 8.642 -0.044 1
1 126 . 16 1 1 A 50 50 ALA HA H 50 4.817 5.227 -0.410 1
1 130 . 16 1 1 A 50 50 ALA C C 50 176.042 176.803 -0.761 1
1 131 . 16 1 1 A 50 50 ALA CA C 50 52.189 50.944 1.245 1
1 132 . 16 1 1 A 50 50 ALA CB C 50 24.738 22.151 2.587 1
1 133 . 16 1 1 A 50 50 ALA N N 50 122.121 128.451 -6.330 1
1 134 . 16 1 1 A 51 51 ARG H H 51 8.935 8.770 0.165 1
1 135 . 16 1 1 A 51 51 ARG HA H 51 5.098 4.679 0.419 1
1 142 . 16 1 1 A 51 51 ARG C C 51 178.696 177.749 0.947 1
1 143 . 16 1 1 A 51 51 ARG CA C 51 54.995 56.135 -1.140 1
1 144 . 16 1 1 A 51 51 ARG CB C 51 32.605 31.210 1.395 1
1 147 . 16 1 1 A 51 51 ARG N N 51 121.019 122.668 -1.649 1
1 148 . 16 1 1 A 52 52 VAL H H 52 9.767 8.500 1.267 1
1 149 . 16 1 1 A 52 52 VAL HA H 52 3.494 3.934 -0.440 1
1 157 . 16 1 1 A 52 52 VAL C C 52 176.292 177.114 -0.822 1
1 158 . 16 1 1 A 52 52 VAL CA C 52 67.295 65.453 1.842 1
1 159 . 16 1 1 A 52 52 VAL CB C 52 31.427 31.755 -0.328 1
1 162 . 16 1 1 A 52 52 VAL N N 52 121.483 123.906 -2.423 1
1 163 . 16 1 1 A 53 53 ASP H H 53 8.640 8.836 -0.196 1
1 164 . 16 1 1 A 53 53 ASP HA H 53 4.199 4.547 -0.348 1
1 167 . 16 1 1 A 53 53 ASP C C 53 178.904 178.278 0.626 1
1 168 . 16 1 1 A 53 53 ASP CA C 53 56.797 56.254 0.543 1
1 169 . 16 1 1 A 53 53 ASP CB C 53 39.068 39.347 -0.279 1
1 170 . 16 1 1 A 53 53 ASP N N 53 116.987 120.565 -3.578 1
1 171 . 16 1 1 A 54 54 GLU H H 54 7.028 7.964 -0.936 1
1 172 . 16 1 1 A 54 54 GLU HA H 54 4.017 4.126 -0.109 1
1 176 . 16 1 1 A 54 54 GLU C C 54 178.696 179.106 -0.410 1
1 177 . 16 1 1 A 54 54 GLU CA C 54 58.261 58.760 -0.499 1
1 178 . 16 1 1 A 54 54 GLU CB C 54 30.742 29.843 0.899 1
1 180 . 16 1 1 A 54 54 GLU N N 54 119.862 119.771 0.091 1
1 181 . 16 1 1 A 55 55 ILE H H 55 7.639 8.126 -0.487 1
1 182 . 16 1 1 A 55 55 ILE HA H 55 3.345 3.854 -0.509 1
1 192 . 16 1 1 A 55 55 ILE C C 55 177.945 177.659 0.286 1
1 193 . 16 1 1 A 55 55 ILE CA C 55 64.533 64.580 -0.047 1
1 194 . 16 1 1 A 55 55 ILE CB C 55 38.824 37.707 1.117 1
1 198 . 16 1 1 A 55 55 ILE N N 55 118.743 119.579 -0.836 1
1 199 . 16 1 1 A 56 56 TYR H H 56 8.548 8.121 0.427 1
1 200 . 16 1 1 A 56 56 TYR HA H 56 4.028 4.121 -0.093 1
1 207 . 16 1 1 A 56 56 TYR C C 56 177.279 178.166 -0.887 1
1 208 . 16 1 1 A 56 56 TYR CA C 56 61.046 62.328 -1.282 1
1 209 . 16 1 1 A 56 56 TYR CB C 56 38.746 38.548 0.198 1
1 210 . 16 1 1 A 56 56 TYR N N 56 117.394 124.153 -6.759 1
1 211 . 16 1 1 A 57 57 ALA H H 57 7.305 8.166 -0.861 1
1 212 . 16 1 1 A 57 57 ALA HA H 57 3.891 3.810 0.081 1
1 216 . 16 1 1 A 57 57 ALA C C 57 178.515 178.743 -0.228 1
1 217 . 16 1 1 A 57 57 ALA CA C 57 53.867 54.632 -0.765 1
1 218 . 16 1 1 A 57 57 ALA CB C 57 18.567 18.057 0.510 1
1 219 . 16 1 1 A 57 57 ALA N N 57 116.845 121.142 -4.297 1
1 220 . 16 1 1 A 58 58 GLN H H 58 7.182 7.349 -0.167 1
1 221 . 16 1 1 A 58 58 GLN HA H 58 4.182 4.325 -0.143 1
1 228 . 16 1 1 A 58 58 GLN C C 58 176.015 175.534 0.481 1
1 229 . 16 1 1 A 58 58 GLN CA C 58 54.679 56.930 -2.251 1
1 230 . 16 1 1 A 58 58 GLN CB C 58 29.584 29.434 0.150 1
1 232 . 16 1 1 A 58 58 GLN N N 58 113.228 114.589 -1.361 1
1 234 . 16 1 1 A 59 59 ILE H H 59 7.051 7.652 -0.601 1
1 235 . 16 1 1 A 59 59 ILE HA H 59 3.829 4.264 -0.435 1
1 245 . 16 1 1 A 59 59 ILE CA C 59 57.557 57.914 -0.357 1
1 246 . 16 1 1 A 59 59 ILE CB C 59 36.090 38.555 -2.465 1
1 250 . 16 1 1 A 59 59 ILE N N 59 121.926 121.621 0.305 1
1 251 . 16 1 1 A 60 60 PRO HA H 60 4.049 4.709 -0.660 1
1 258 . 16 1 1 A 60 60 PRO CA C 60 63.775 61.932 1.843 1
1 259 . 16 1 1 A 60 60 PRO CB C 60 32.050 32.878 -0.828 1
1 262 . 16 1 1 A 61 61 GLN H H 61 8.772 8.584 0.188 1
1 263 . 16 1 1 A 61 61 GLN HA H 61 3.772 4.030 -0.258 1
1 270 . 16 1 1 A 61 61 GLN C C 61 178.654 178.220 0.434 1
1 271 . 16 1 1 A 61 61 GLN CA C 61 58.761 58.055 0.706 1
1 272 . 16 1 1 A 61 61 GLN CB C 61 28.318 28.103 0.215 1
1 274 . 16 1 1 A 61 61 GLN N N 61 126.284 120.957 5.327 1
1 276 . 16 1 1 A 62 62 GLU H H 62 9.471 8.054 1.417 1
1 277 . 16 1 1 A 62 62 GLU HA H 62 3.971 4.048 -0.077 1
1 282 . 16 1 1 A 62 62 GLU C C 62 177.376 178.408 -1.032 1
1 283 . 16 1 1 A 62 62 GLU CA C 62 58.072 58.952 -0.880 1
1 284 . 16 1 1 A 62 62 GLU CB C 62 28.164 29.543 -1.379 1
1 286 . 16 1 1 A 62 62 GLU N N 62 118.102 120.273 -2.171 1
1 287 . 16 1 1 A 63 63 LEU H H 63 6.792 7.711 -0.919 1
1 288 . 16 1 1 A 63 63 LEU HA H 63 3.717 4.116 -0.399 1
1 298 . 16 1 1 A 63 63 LEU C C 63 176.570 175.988 0.582 1
1 299 . 16 1 1 A 63 63 LEU CA C 63 56.173 54.836 1.337 1
1 300 . 16 1 1 A 63 63 LEU CB C 63 39.610 41.997 -2.387 1
1 304 . 16 1 1 A 63 63 LEU N N 63 118.573 118.061 0.512 1
1 305 . 16 1 1 A 64 64 GLU H H 64 7.589 7.780 -0.191 1
1 306 . 16 1 1 A 64 64 GLU HA H 64 3.782 3.959 -0.177 1
1 311 . 16 1 1 A 64 64 GLU C C 64 176.723 175.562 1.161 1
1 312 . 16 1 1 A 64 64 GLU CA C 64 57.031 57.619 -0.588 1
1 313 . 16 1 1 A 64 64 GLU CB C 64 26.951 27.300 -0.349 1
1 315 . 16 1 1 A 64 64 GLU N N 64 112.960 116.126 -3.166 1
1 316 . 16 1 1 A 65 65 TRP H H 65 8.340 7.894 0.446 1
1 317 . 16 1 1 A 65 65 TRP HA H 65 5.097 4.806 0.291 1
1 323 . 16 1 1 A 65 65 TRP CA C 65 54.697 57.440 -2.743 1
1 324 . 16 1 1 A 65 65 TRP CB C 65 30.450 30.993 -0.543 1
1 325 . 16 1 1 A 65 65 TRP N N 65 119.866 121.073 -1.207 1
1 327 . 16 1 1 A 66 66 SER HA H 66 4.700 5.109 -0.409 1
1 330 . 16 1 1 A 66 66 SER CA C 66 56.340 56.478 -0.138 1
1 331 . 16 1 1 A 66 66 SER CB C 66 66.184 66.607 -0.423 1
1 332 . 16 1 1 A 67 67 LEU H H 67 8.622 8.640 -0.018 1
1 333 . 16 1 1 A 67 67 LEU HA H 67 3.357 3.522 -0.165 1
1 343 . 16 1 1 A 67 67 LEU C C 67 178.779 178.407 0.372 1
1 344 . 16 1 1 A 67 67 LEU CA C 67 58.385 58.069 0.316 1
1 345 . 16 1 1 A 67 67 LEU CB C 67 41.218 40.733 0.485 1
1 349 . 16 1 1 A 67 67 LEU N N 67 123.216 122.341 0.875 1
1 350 . 16 1 1 A 68 68 ALA H H 68 7.987 8.040 -0.053 1
1 351 . 16 1 1 A 68 68 ALA HA H 68 3.766 3.939 -0.173 1
1 355 . 16 1 1 A 68 68 ALA C C 68 180.626 179.716 0.910 1
1 356 . 16 1 1 A 68 68 ALA CA C 68 55.431 55.087 0.344 1
1 357 . 16 1 1 A 68 68 ALA CB C 68 17.780 18.138 -0.358 1
1 358 . 16 1 1 A 68 68 ALA N N 68 119.912 121.077 -1.165 1
1 359 . 16 1 1 A 69 69 THR H H 69 7.781 7.933 -0.152 1
1 360 . 16 1 1 A 69 69 THR HA H 69 3.477 3.688 -0.211 1
1 365 . 16 1 1 A 69 69 THR C C 69 176.154 175.998 0.156 1
1 366 . 16 1 1 A 69 69 THR CA C 69 66.975 67.077 -0.102 1
1 367 . 16 1 1 A 69 69 THR CB C 69 68.525 68.775 -0.250 1
1 369 . 16 1 1 A 69 69 THR N N 69 118.256 115.007 3.249 1
1 370 . 16 1 1 A 70 70 VAL H H 70 7.373 8.038 -0.665 1
1 371 . 16 1 1 A 70 70 VAL HA H 70 3.201 3.701 -0.500 1
1 379 . 16 1 1 A 70 70 VAL C C 70 177.265 177.760 -0.495 1
1 380 . 16 1 1 A 70 70 VAL CA C 70 67.795 65.169 2.626 1
1 381 . 16 1 1 A 70 70 VAL CB C 70 31.342 31.324 0.018 1
1 384 . 16 1 1 A 70 70 VAL N N 70 120.502 120.411 0.091 1
1 385 . 16 1 1 A 71 71 LYS H H 71 8.521 7.534 0.987 1
1 386 . 16 1 1 A 71 71 LYS HA H 71 3.659 3.826 -0.167 1
1 395 . 16 1 1 A 71 71 LYS C C 71 180.154 179.350 0.804 1
1 396 . 16 1 1 A 71 71 LYS CA C 71 61.155 59.416 1.739 1
1 397 . 16 1 1 A 71 71 LYS CB C 71 32.114 32.186 -0.072 1
1 401 . 16 1 1 A 71 71 LYS N N 71 118.966 122.269 -3.303 1
1 402 . 16 1 1 A 72 72 THR H H 72 8.160 7.605 0.555 1
1 403 . 16 1 1 A 72 72 THR HA H 72 3.747 3.968 -0.221 1
1 408 . 16 1 1 A 72 72 THR C C 72 177.209 176.660 0.549 1
1 409 . 16 1 1 A 72 72 THR CA C 72 66.978 65.288 1.690 1
1 410 . 16 1 1 A 72 72 THR CB C 72 68.268 68.532 -0.264 1
1 412 . 16 1 1 A 72 72 THR N N 72 119.017 114.289 4.728 1
1 413 . 16 1 1 A 73 73 LEU H H 73 7.753 7.857 -0.104 1
1 414 . 16 1 1 A 73 73 LEU HA H 73 3.682 4.102 -0.420 1
1 424 . 16 1 1 A 73 73 LEU C C 73 178.821 178.576 0.245 1
1 425 . 16 1 1 A 73 73 LEU CA C 73 58.671 57.790 0.881 1
1 426 . 16 1 1 A 73 73 LEU CB C 73 42.182 41.516 0.666 1
1 430 . 16 1 1 A 73 73 LEU N N 73 123.340 122.458 0.882 1
1 431 . 16 1 1 A 74 74 LEU H H 74 8.341 8.585 -0.244 1
1 432 . 16 1 1 A 74 74 LEU HA H 74 3.551 3.899 -0.348 1
1 442 . 16 1 1 A 74 74 LEU C C 74 178.832 179.422 -0.590 1
1 443 . 16 1 1 A 74 74 LEU CA C 74 58.293 58.384 -0.091 1
1 444 . 16 1 1 A 74 74 LEU CB C 74 40.530 41.188 -0.658 1
1 448 . 16 1 1 A 74 74 LEU N N 74 118.538 119.187 -0.649 1
1 449 . 16 1 1 A 75 75 GLY H H 75 7.780 7.872 -0.092 1
1 450 . 16 1 1 A 75 75 GLY HA2 H 75 3.648 3.911 -0.263 1
1 451 . 16 1 1 A 75 75 GLY HA3 H 75 3.767 3.944 -0.177 1
1 452 . 16 1 1 A 75 75 GLY C C 75 177.626 176.478 1.148 1
1 453 . 16 1 1 A 75 75 GLY CA C 75 47.290 46.803 0.487 1
1 454 . 16 1 1 A 75 75 GLY N N 75 103.878 105.007 -1.129 1
1 455 . 16 1 1 A 76 76 ARG H H 76 7.637 8.093 -0.456 1
1 456 . 16 1 1 A 76 76 ARG HA H 76 3.908 4.059 -0.151 1
1 463 . 16 1 1 A 76 76 ARG C C 76 179.001 178.538 0.463 1
1 464 . 16 1 1 A 76 76 ARG CA C 76 59.378 59.104 0.274 1
1 465 . 16 1 1 A 76 76 ARG CB C 76 30.767 30.451 0.316 1
1 468 . 16 1 1 A 76 76 ARG N N 76 122.469 122.384 0.085 1
1 469 . 16 1 1 A 77 77 LEU H H 77 7.922 8.117 -0.195 1
1 470 . 16 1 1 A 77 77 LEU HA H 77 3.812 4.127 -0.315 1
1 480 . 16 1 1 A 77 77 LEU C C 77 179.835 179.631 0.204 1
1 481 . 16 1 1 A 77 77 LEU CA C 77 58.306 58.135 0.171 1
1 482 . 16 1 1 A 77 77 LEU CB C 77 42.365 41.594 0.771 1
1 486 . 16 1 1 A 77 77 LEU N N 77 120.640 120.112 0.528 1
1 487 . 16 1 1 A 78 78 VAL H H 78 8.287 8.058 0.229 1
1 488 . 16 1 1 A 78 78 VAL HA H 78 3.950 4.118 -0.168 1
1 496 . 16 1 1 A 78 78 VAL C C 78 181.099 177.807 3.292 1
1 497 . 16 1 1 A 78 78 VAL CA C 78 66.044 65.589 0.455 1
1 498 . 16 1 1 A 78 78 VAL CB C 78 32.287 31.183 1.104 1
1 501 . 16 1 1 A 78 78 VAL N N 78 121.179 113.867 7.312 1
1 502 . 16 1 1 A 79 79 LYS H H 79 7.836 8.092 -0.256 1
1 503 . 16 1 1 A 79 79 LYS HA H 79 4.004 4.168 -0.164 1
1 512 . 16 1 1 A 79 79 LYS CA C 79 59.189 58.917 0.272 1
1 513 . 16 1 1 A 79 79 LYS CB C 79 29.238 32.590 -3.352 1
1 517 . 16 1 1 A 79 79 LYS N N 79 123.239 121.515 1.724 1
1 518 . 16 1 1 A 80 80 LYS HA H 80 4.179 4.690 -0.511 1
1 521 . 16 1 1 A 80 80 LYS CA C 80 57.269 55.196 2.073 1
1 522 . 16 1 1 A 80 80 LYS CB C 80 31.067 34.127 -3.060 1
1 523 . 16 1 1 A 81 81 GLU H H 81 7.801 8.494 -0.693 1
1 524 . 16 1 1 A 81 81 GLU HA H 81 4.513 4.669 -0.156 1
1 527 . 16 1 1 A 81 81 GLU CA C 81 57.915 55.276 2.639 1
1 528 . 16 1 1 A 81 81 GLU CB C 81 26.150 30.708 -4.558 1
1 529 . 16 1 1 A 81 81 GLU N N 81 126.946 121.786 5.160 1
1 530 . 16 1 1 A 82 82 MET H H 82 7.978 8.384 -0.406 1
1 531 . 16 1 1 A 82 82 MET HA H 82 3.781 4.584 -0.803 1
1 536 . 16 1 1 A 82 82 MET C C 82 176.695 174.699 1.996 1
1 537 . 16 1 1 A 82 82 MET CA C 82 57.599 57.053 0.546 1
1 538 . 16 1 1 A 82 82 MET CB C 82 33.067 34.065 -0.998 1
1 540 . 16 1 1 A 82 82 MET N N 82 112.370 121.748 -9.378 1
1 541 . 16 1 1 A 83 83 LEU H H 83 6.928 7.668 -0.740 1
1 542 . 16 1 1 A 83 83 LEU HA H 83 5.042 4.905 0.137 1
1 548 . 16 1 1 A 83 83 LEU C C 83 175.376 175.534 -0.158 1
1 549 . 16 1 1 A 83 83 LEU CA C 83 52.193 53.031 -0.838 1
1 550 . 16 1 1 A 83 83 LEU CB C 83 48.040 46.210 1.830 1
1 553 . 16 1 1 A 83 83 LEU N N 83 116.646 119.937 -3.291 1
1 554 . 16 1 1 A 84 84 SER H H 84 9.089 8.748 0.341 1
1 555 . 16 1 1 A 84 84 SER HA H 84 4.711 5.416 -0.705 1
1 558 . 16 1 1 A 84 84 SER C C 84 173.496 173.142 0.354 1
1 559 . 16 1 1 A 84 84 SER CA C 84 56.311 57.473 -1.162 1
1 560 . 16 1 1 A 84 84 SER CB C 84 65.943 66.904 -0.961 1
1 561 . 16 1 1 A 84 84 SER N N 84 115.366 115.543 -0.177 1
1 562 . 16 1 1 A 85 85 THR H H 85 8.091 8.728 -0.637 1
1 563 . 16 1 1 A 85 85 THR HA H 85 5.036 5.031 0.005 1
1 568 . 16 1 1 A 85 85 THR C C 85 173.844 172.358 1.486 1
1 569 . 16 1 1 A 85 85 THR CA C 85 58.919 59.703 -0.784 1
1 570 . 16 1 1 A 85 85 THR CB C 85 71.518 71.056 0.462 1
1 572 . 16 1 1 A 85 85 THR N N 85 110.842 115.768 -4.926 1
1 573 . 16 1 1 A 86 86 GLU H H 86 8.128 8.779 -0.651 1
1 574 . 16 1 1 A 86 86 GLU HA H 86 4.413 5.071 -0.658 1
1 578 . 16 1 1 A 86 86 GLU C C 86 174.693 173.786 0.907 1
1 579 . 16 1 1 A 86 86 GLU CA C 86 54.405 54.376 0.029 1
1 580 . 16 1 1 A 86 86 GLU CB C 86 33.099 33.591 -0.492 1
1 582 . 16 1 1 A 86 86 GLU N N 86 122.318 123.999 -1.681 1
1 583 . 16 1 1 A 87 87 LYS H H 87 8.622 8.668 -0.046 1
1 584 . 16 1 1 A 87 87 LYS HA H 87 4.153 4.958 -0.805 1
1 593 . 16 1 1 A 87 87 LYS C C 87 175.909 174.988 0.921 1
1 594 . 16 1 1 A 87 87 LYS CA C 87 56.403 54.530 1.873 1
1 595 . 16 1 1 A 87 87 LYS CB C 87 32.960 35.215 -2.255 1
1 599 . 16 1 1 A 87 87 LYS N N 87 124.854 120.728 4.126 1
1 600 . 16 1 1 A 88 88 GLU HA H 88 4.276 4.630 -0.354 1
1 604 . 16 1 1 A 88 88 GLU C C 88 175.998 176.119 -0.121 1
1 605 . 16 1 1 A 88 88 GLU CA C 88 55.362 55.295 0.067 1
1 606 . 16 1 1 A 88 88 GLU CB C 88 30.945 33.946 -3.001 1
1 608 . 16 1 1 A 91 91 LYS H H 91 7.651 7.753 -0.102 1
1 609 . 16 1 1 A 91 91 LYS HA H 91 4.456 4.635 -0.179 1
1 616 . 16 1 1 A 91 91 LYS C C 91 174.960 175.477 -0.517 1
1 617 . 16 1 1 A 91 91 LYS CA C 91 54.992 54.715 0.277 1
1 618 . 16 1 1 A 91 91 LYS CB C 91 34.855 34.043 0.812 1
1 622 . 16 1 1 A 91 91 LYS N N 91 119.096 119.525 -0.429 1
1 623 . 16 1 1 A 92 92 PHE H H 92 7.904 9.036 -1.132 1
1 624 . 16 1 1 A 92 92 PHE HA H 92 4.772 5.100 -0.328 1
1 631 . 16 1 1 A 92 92 PHE C C 92 175.183 175.394 -0.211 1
1 632 . 16 1 1 A 92 92 PHE CA C 92 57.762 57.125 0.637 1
1 633 . 16 1 1 A 92 92 PHE CB C 92 40.747 41.463 -0.716 1
1 634 . 16 1 1 A 92 92 PHE N N 92 118.936 117.839 1.097 1
1 635 . 16 1 1 A 93 93 VAL H H 93 8.626 9.156 -0.530 1
1 636 . 16 1 1 A 93 93 VAL HA H 93 4.090 4.841 -0.751 1
1 644 . 16 1 1 A 93 93 VAL C C 93 174.856 174.508 0.348 1
1 645 . 16 1 1 A 93 93 VAL CA C 93 61.228 61.283 -0.055 1
1 646 . 16 1 1 A 93 93 VAL CB C 93 33.595 34.144 -0.549 1
1 648 . 16 1 1 A 93 93 VAL N N 93 120.649 120.673 -0.024 1
1 649 . 16 1 1 A 94 94 TYR H H 94 8.950 9.204 -0.254 1
1 650 . 16 1 1 A 94 94 TYR HA H 94 5.029 5.350 -0.321 1
1 657 . 16 1 1 A 94 94 TYR C C 94 175.242 174.452 0.790 1
1 658 . 16 1 1 A 94 94 TYR CA C 94 57.619 56.622 0.997 1
1 659 . 16 1 1 A 94 94 TYR CB C 94 41.447 40.802 0.645 1
1 660 . 16 1 1 A 94 94 TYR N N 94 125.589 126.873 -1.284 1
1 661 . 16 1 1 A 95 95 ARG H H 95 8.275 8.800 -0.525 1
1 662 . 16 1 1 A 95 95 ARG HA H 95 5.001 4.835 0.166 1
1 665 . 16 1 1 A 95 95 ARG CA C 95 53.055 53.267 -0.212 1
1 666 . 16 1 1 A 95 95 ARG N N 95 118.094 123.656 -5.562 1
1 670 . 16 1 1 A 96 96 PRO CA C 96 63.815 62.543 1.272 1
1 671 . 16 1 1 A 96 96 PRO CB C 96 33.778 32.765 1.013 1
1 673 . 16 1 1 A 97 97 LEU H H 97 7.862 8.721 -0.859 1
1 674 . 16 1 1 A 97 97 LEU HA H 97 4.054 4.104 -0.050 1
1 684 . 16 1 1 A 97 97 LEU CA C 97 55.208 57.109 -1.901 1
1 685 . 16 1 1 A 97 97 LEU CB C 97 42.072 43.152 -1.080 1
1 1 . 17 1 1 A 36 36 ALA HA H 36 4.250 4.270 -0.020 1
1 5 . 17 1 1 A 36 36 ALA CA C 36 55.550 55.323 0.227 1
1 6 . 17 1 1 A 36 36 ALA CB C 36 19.203 18.777 0.426 1
1 7 . 17 1 1 A 39 39 ILE HA H 39 4.250 3.651 0.599 1
1 17 . 17 1 1 A 39 39 ILE CA C 39 58.724 65.335 -6.611 1
1 18 . 17 1 1 A 39 39 ILE CB C 39 38.496 37.875 0.621 1
1 22 . 17 1 1 A 40 40 VAL HA H 40 3.198 3.980 -0.782 1
1 30 . 17 1 1 A 40 40 VAL CA C 40 67.086 64.928 2.158 1
1 31 . 17 1 1 A 40 40 VAL CB C 40 30.969 31.566 -0.597 1
1 34 . 17 1 1 A 42 42 ARG HA H 42 3.770 4.882 -1.112 1
1 35 . 17 1 1 A 42 42 ARG CA C 42 55.107 57.620 -2.513 1
1 36 . 17 1 1 A 43 43 VAL H H 43 7.364 8.301 -0.937 1
1 37 . 17 1 1 A 43 43 VAL HA H 43 3.506 3.803 -0.297 1
1 45 . 17 1 1 A 43 43 VAL C C 43 178.600 178.417 0.183 1
1 46 . 17 1 1 A 43 43 VAL CA C 43 66.598 65.416 1.182 1
1 47 . 17 1 1 A 43 43 VAL CB C 43 31.203 31.770 -0.567 1
1 50 . 17 1 1 A 43 43 VAL N N 43 119.765 118.801 0.964 1
1 51 . 17 1 1 A 44 44 ILE H H 44 7.829 8.160 -0.331 1
1 52 . 17 1 1 A 44 44 ILE HA H 44 3.242 3.696 -0.454 1
1 62 . 17 1 1 A 44 44 ILE C C 44 178.289 178.526 -0.237 1
1 63 . 17 1 1 A 44 44 ILE CA C 44 66.146 65.094 1.052 1
1 64 . 17 1 1 A 44 44 ILE CB C 44 36.869 37.701 -0.832 1
1 68 . 17 1 1 A 44 44 ILE N N 44 120.991 121.431 -0.440 1
1 69 . 17 1 1 A 45 45 TRP H H 45 9.154 8.223 0.931 1
1 70 . 17 1 1 A 45 45 TRP HA H 45 4.377 4.110 0.267 1
1 77 . 17 1 1 A 45 45 TRP C C 45 179.154 179.165 -0.011 1
1 78 . 17 1 1 A 45 45 TRP CA C 45 60.749 61.117 -0.368 1
1 79 . 17 1 1 A 45 45 TRP CB C 45 28.620 29.561 -0.941 1
1 80 . 17 1 1 A 45 45 TRP N N 45 119.877 122.625 -2.748 1
1 82 . 17 1 1 A 46 46 SER H H 46 7.556 7.523 0.033 1
1 83 . 17 1 1 A 46 46 SER HA H 46 4.247 3.831 0.416 1
1 86 . 17 1 1 A 46 46 SER C C 46 175.737 177.276 -1.539 1
1 87 . 17 1 1 A 46 46 SER CA C 46 61.315 60.813 0.502 1
1 88 . 17 1 1 A 46 46 SER CB C 46 63.510 62.560 0.950 1
1 89 . 17 1 1 A 46 46 SER N N 46 113.170 114.089 -0.919 1
1 90 . 17 1 1 A 47 47 LEU H H 47 7.667 7.318 0.349 1
1 91 . 17 1 1 A 47 47 LEU HA H 47 4.274 4.053 0.221 1
1 101 . 17 1 1 A 47 47 LEU C C 47 178.987 176.643 2.344 1
1 102 . 17 1 1 A 47 47 LEU CA C 47 55.835 56.639 -0.804 1
1 103 . 17 1 1 A 47 47 LEU CB C 47 43.548 42.626 0.922 1
1 107 . 17 1 1 A 47 47 LEU N N 47 120.838 119.680 1.158 1
1 108 . 17 1 1 A 48 48 GLY H H 48 8.656 7.907 0.749 1
1 109 . 17 1 1 A 48 48 GLY HA2 H 48 4.373 4.056 0.317 1
1 110 . 17 1 1 A 48 48 GLY HA3 H 48 3.296 4.077 -0.781 1
1 111 . 17 1 1 A 48 48 GLY C C 48 173.625 173.461 0.164 1
1 112 . 17 1 1 A 48 48 GLY CA C 48 46.944 45.554 1.390 1
1 113 . 17 1 1 A 48 48 GLY N N 48 113.217 106.148 7.069 1
1 114 . 17 1 1 A 49 49 GLU H H 49 7.347 7.730 -0.383 1
1 115 . 17 1 1 A 49 49 GLU HA H 49 4.830 5.009 -0.179 1
1 120 . 17 1 1 A 49 49 GLU C C 49 174.973 174.267 0.706 1
1 121 . 17 1 1 A 49 49 GLU CA C 49 55.026 54.644 0.382 1
1 122 . 17 1 1 A 49 49 GLU CB C 49 31.947 32.923 -0.976 1
1 124 . 17 1 1 A 49 49 GLU N N 49 116.219 116.613 -0.394 1
1 125 . 17 1 1 A 50 50 ALA H H 50 8.598 8.508 0.090 1
1 126 . 17 1 1 A 50 50 ALA HA H 50 4.817 5.109 -0.292 1
1 130 . 17 1 1 A 50 50 ALA C C 50 176.042 176.189 -0.147 1
1 131 . 17 1 1 A 50 50 ALA CA C 50 52.189 51.050 1.139 1
1 132 . 17 1 1 A 50 50 ALA CB C 50 24.738 23.145 1.593 1
1 133 . 17 1 1 A 50 50 ALA N N 50 122.121 121.290 0.831 1
1 134 . 17 1 1 A 51 51 ARG H H 51 8.935 8.905 0.030 1
1 135 . 17 1 1 A 51 51 ARG HA H 51 5.098 5.086 0.012 1
1 142 . 17 1 1 A 51 51 ARG C C 51 178.696 177.943 0.753 1
1 143 . 17 1 1 A 51 51 ARG CA C 51 54.995 54.836 0.159 1
1 144 . 17 1 1 A 51 51 ARG CB C 51 32.605 31.561 1.044 1
1 147 . 17 1 1 A 51 51 ARG N N 51 121.019 120.924 0.095 1
1 148 . 17 1 1 A 52 52 VAL H H 52 9.767 8.566 1.201 1
1 149 . 17 1 1 A 52 52 VAL HA H 52 3.494 4.000 -0.506 1
1 157 . 17 1 1 A 52 52 VAL C C 52 176.292 177.094 -0.802 1
1 158 . 17 1 1 A 52 52 VAL CA C 52 67.295 65.243 2.052 1
1 159 . 17 1 1 A 52 52 VAL CB C 52 31.427 32.131 -0.704 1
1 162 . 17 1 1 A 52 52 VAL N N 52 121.483 123.556 -2.073 1
1 163 . 17 1 1 A 53 53 ASP H H 53 8.640 8.358 0.282 1
1 164 . 17 1 1 A 53 53 ASP HA H 53 4.199 4.470 -0.271 1
1 167 . 17 1 1 A 53 53 ASP C C 53 178.904 178.260 0.644 1
1 168 . 17 1 1 A 53 53 ASP CA C 53 56.797 57.202 -0.405 1
1 169 . 17 1 1 A 53 53 ASP CB C 53 39.068 41.071 -2.003 1
1 170 . 17 1 1 A 53 53 ASP N N 53 116.987 121.313 -4.326 1
1 171 . 17 1 1 A 54 54 GLU H H 54 7.028 8.062 -1.034 1
1 172 . 17 1 1 A 54 54 GLU HA H 54 4.017 4.179 -0.162 1
1 176 . 17 1 1 A 54 54 GLU C C 54 178.696 178.785 -0.089 1
1 177 . 17 1 1 A 54 54 GLU CA C 54 58.261 58.817 -0.556 1
1 178 . 17 1 1 A 54 54 GLU CB C 54 30.742 29.444 1.298 1
1 180 . 17 1 1 A 54 54 GLU N N 54 119.862 118.991 0.871 1
1 181 . 17 1 1 A 55 55 ILE H H 55 7.639 8.048 -0.409 1
1 182 . 17 1 1 A 55 55 ILE HA H 55 3.345 3.881 -0.536 1
1 192 . 17 1 1 A 55 55 ILE C C 55 177.945 177.611 0.334 1
1 193 . 17 1 1 A 55 55 ILE CA C 55 64.533 64.463 0.070 1
1 194 . 17 1 1 A 55 55 ILE CB C 55 38.824 37.615 1.209 1
1 198 . 17 1 1 A 55 55 ILE N N 55 118.743 119.663 -0.920 1
1 199 . 17 1 1 A 56 56 TYR H H 56 8.548 8.024 0.524 1
1 200 . 17 1 1 A 56 56 TYR HA H 56 4.028 4.139 -0.111 1
1 207 . 17 1 1 A 56 56 TYR C C 56 177.279 178.057 -0.778 1
1 208 . 17 1 1 A 56 56 TYR CA C 56 61.046 62.177 -1.131 1
1 209 . 17 1 1 A 56 56 TYR CB C 56 38.746 38.424 0.322 1
1 210 . 17 1 1 A 56 56 TYR N N 56 117.394 124.207 -6.813 1
1 211 . 17 1 1 A 57 57 ALA H H 57 7.305 8.287 -0.982 1
1 212 . 17 1 1 A 57 57 ALA HA H 57 3.891 3.938 -0.047 1
1 216 . 17 1 1 A 57 57 ALA C C 57 178.515 178.891 -0.376 1
1 217 . 17 1 1 A 57 57 ALA CA C 57 53.867 54.833 -0.966 1
1 218 . 17 1 1 A 57 57 ALA CB C 57 18.567 18.174 0.393 1
1 219 . 17 1 1 A 57 57 ALA N N 57 116.845 121.361 -4.516 1
1 220 . 17 1 1 A 58 58 GLN H H 58 7.182 7.306 -0.124 1
1 221 . 17 1 1 A 58 58 GLN HA H 58 4.182 4.324 -0.142 1
1 228 . 17 1 1 A 58 58 GLN C C 58 176.015 175.844 0.171 1
1 229 . 17 1 1 A 58 58 GLN CA C 58 54.679 56.729 -2.050 1
1 230 . 17 1 1 A 58 58 GLN CB C 58 29.584 29.418 0.166 1
1 232 . 17 1 1 A 58 58 GLN N N 58 113.228 114.464 -1.236 1
1 234 . 17 1 1 A 59 59 ILE H H 59 7.051 7.752 -0.701 1
1 235 . 17 1 1 A 59 59 ILE HA H 59 3.829 4.266 -0.437 1
1 245 . 17 1 1 A 59 59 ILE CA C 59 57.557 58.138 -0.581 1
1 246 . 17 1 1 A 59 59 ILE CB C 59 36.090 37.781 -1.691 1
1 250 . 17 1 1 A 59 59 ILE N N 59 121.926 121.133 0.793 1
1 251 . 17 1 1 A 60 60 PRO HA H 60 4.049 4.318 -0.269 1
1 258 . 17 1 1 A 60 60 PRO CA C 60 63.775 63.525 0.250 1
1 259 . 17 1 1 A 60 60 PRO CB C 60 32.050 32.117 -0.067 1
1 262 . 17 1 1 A 61 61 GLN H H 61 8.772 7.879 0.893 1
1 263 . 17 1 1 A 61 61 GLN HA H 61 3.772 4.142 -0.370 1
1 270 . 17 1 1 A 61 61 GLN C C 61 178.654 176.257 2.397 1
1 271 . 17 1 1 A 61 61 GLN CA C 61 58.761 57.535 1.226 1
1 272 . 17 1 1 A 61 61 GLN CB C 61 28.318 27.716 0.602 1
1 274 . 17 1 1 A 61 61 GLN N N 61 126.284 116.349 9.935 1
1 276 . 17 1 1 A 62 62 GLU H H 62 9.471 8.403 1.068 1
1 277 . 17 1 1 A 62 62 GLU HA H 62 3.971 4.026 -0.055 1
1 282 . 17 1 1 A 62 62 GLU C C 62 177.376 177.806 -0.430 1
1 283 . 17 1 1 A 62 62 GLU CA C 62 58.072 58.976 -0.904 1
1 284 . 17 1 1 A 62 62 GLU CB C 62 28.164 29.219 -1.055 1
1 286 . 17 1 1 A 62 62 GLU N N 62 118.102 118.044 0.058 1
1 287 . 17 1 1 A 63 63 LEU H H 63 6.792 7.587 -0.795 1
1 288 . 17 1 1 A 63 63 LEU HA H 63 3.717 4.133 -0.416 1
1 298 . 17 1 1 A 63 63 LEU C C 63 176.570 176.067 0.503 1
1 299 . 17 1 1 A 63 63 LEU CA C 63 56.173 54.877 1.296 1
1 300 . 17 1 1 A 63 63 LEU CB C 63 39.610 41.943 -2.333 1
1 304 . 17 1 1 A 63 63 LEU N N 63 118.573 118.125 0.448 1
1 305 . 17 1 1 A 64 64 GLU H H 64 7.589 8.198 -0.609 1
1 306 . 17 1 1 A 64 64 GLU HA H 64 3.782 4.097 -0.315 1
1 311 . 17 1 1 A 64 64 GLU C C 64 176.723 175.808 0.915 1
1 312 . 17 1 1 A 64 64 GLU CA C 64 57.031 57.581 -0.550 1
1 313 . 17 1 1 A 64 64 GLU CB C 64 26.951 27.158 -0.207 1
1 315 . 17 1 1 A 64 64 GLU N N 64 112.960 115.710 -2.750 1
1 316 . 17 1 1 A 65 65 TRP H H 65 8.340 7.950 0.390 1
1 317 . 17 1 1 A 65 65 TRP HA H 65 5.097 4.687 0.410 1
1 323 . 17 1 1 A 65 65 TRP CA C 65 54.697 57.124 -2.427 1
1 324 . 17 1 1 A 65 65 TRP CB C 65 30.450 28.840 1.610 1
1 325 . 17 1 1 A 65 65 TRP N N 65 119.866 121.121 -1.255 1
1 327 . 17 1 1 A 66 66 SER HA H 66 4.700 4.641 0.059 1
1 330 . 17 1 1 A 66 66 SER CA C 66 56.340 58.511 -2.171 1
1 331 . 17 1 1 A 66 66 SER CB C 66 66.184 63.889 2.295 1
1 332 . 17 1 1 A 67 67 LEU H H 67 8.622 8.672 -0.050 1
1 333 . 17 1 1 A 67 67 LEU HA H 67 3.357 3.369 -0.012 1
1 343 . 17 1 1 A 67 67 LEU C C 67 178.779 178.427 0.352 1
1 344 . 17 1 1 A 67 67 LEU CA C 67 58.385 57.919 0.466 1
1 345 . 17 1 1 A 67 67 LEU CB C 67 41.218 40.973 0.245 1
1 349 . 17 1 1 A 67 67 LEU N N 67 123.216 127.976 -4.760 1
1 350 . 17 1 1 A 68 68 ALA H H 68 7.987 8.157 -0.170 1
1 351 . 17 1 1 A 68 68 ALA HA H 68 3.766 3.947 -0.181 1
1 355 . 17 1 1 A 68 68 ALA C C 68 180.626 179.865 0.761 1
1 356 . 17 1 1 A 68 68 ALA CA C 68 55.431 54.969 0.462 1
1 357 . 17 1 1 A 68 68 ALA CB C 68 17.780 17.890 -0.110 1
1 358 . 17 1 1 A 68 68 ALA N N 68 119.912 121.778 -1.866 1
1 359 . 17 1 1 A 69 69 THR H H 69 7.781 7.919 -0.138 1
1 360 . 17 1 1 A 69 69 THR HA H 69 3.477 3.718 -0.241 1
1 365 . 17 1 1 A 69 69 THR C C 69 176.154 176.099 0.055 1
1 366 . 17 1 1 A 69 69 THR CA C 69 66.975 66.790 0.185 1
1 367 . 17 1 1 A 69 69 THR CB C 69 68.525 68.237 0.288 1
1 369 . 17 1 1 A 69 69 THR N N 69 118.256 115.035 3.221 1
1 370 . 17 1 1 A 70 70 VAL H H 70 7.373 8.120 -0.747 1
1 371 . 17 1 1 A 70 70 VAL HA H 70 3.201 3.678 -0.477 1
1 379 . 17 1 1 A 70 70 VAL C C 70 177.265 177.685 -0.420 1
1 380 . 17 1 1 A 70 70 VAL CA C 70 67.795 65.180 2.615 1
1 381 . 17 1 1 A 70 70 VAL CB C 70 31.342 31.429 -0.087 1
1 384 . 17 1 1 A 70 70 VAL N N 70 120.502 120.013 0.489 1
1 385 . 17 1 1 A 71 71 LYS H H 71 8.521 7.227 1.294 1
1 386 . 17 1 1 A 71 71 LYS HA H 71 3.659 3.809 -0.150 1
1 395 . 17 1 1 A 71 71 LYS C C 71 180.154 179.368 0.786 1
1 396 . 17 1 1 A 71 71 LYS CA C 71 61.155 59.435 1.720 1
1 397 . 17 1 1 A 71 71 LYS CB C 71 32.114 32.254 -0.140 1
1 401 . 17 1 1 A 71 71 LYS N N 71 118.966 122.336 -3.370 1
1 402 . 17 1 1 A 72 72 THR H H 72 8.160 7.736 0.424 1
1 403 . 17 1 1 A 72 72 THR HA H 72 3.747 3.978 -0.231 1
1 408 . 17 1 1 A 72 72 THR C C 72 177.209 176.453 0.756 1
1 409 . 17 1 1 A 72 72 THR CA C 72 66.978 65.295 1.683 1
1 410 . 17 1 1 A 72 72 THR CB C 72 68.268 68.552 -0.284 1
1 412 . 17 1 1 A 72 72 THR N N 72 119.017 113.967 5.050 1
1 413 . 17 1 1 A 73 73 LEU H H 73 7.753 7.927 -0.174 1
1 414 . 17 1 1 A 73 73 LEU HA H 73 3.682 4.002 -0.320 1
1 424 . 17 1 1 A 73 73 LEU C C 73 178.821 178.551 0.270 1
1 425 . 17 1 1 A 73 73 LEU CA C 73 58.671 58.102 0.569 1
1 426 . 17 1 1 A 73 73 LEU CB C 73 42.182 41.625 0.557 1
1 430 . 17 1 1 A 73 73 LEU N N 73 123.340 122.566 0.774 1
1 431 . 17 1 1 A 74 74 LEU H H 74 8.341 8.516 -0.175 1
1 432 . 17 1 1 A 74 74 LEU HA H 74 3.551 3.881 -0.330 1
1 442 . 17 1 1 A 74 74 LEU C C 74 178.832 179.343 -0.511 1
1 443 . 17 1 1 A 74 74 LEU CA C 74 58.293 58.367 -0.074 1
1 444 . 17 1 1 A 74 74 LEU CB C 74 40.530 41.138 -0.608 1
1 448 . 17 1 1 A 74 74 LEU N N 74 118.538 119.396 -0.858 1
1 449 . 17 1 1 A 75 75 GLY H H 75 7.780 8.089 -0.309 1
1 450 . 17 1 1 A 75 75 GLY HA2 H 75 3.648 3.901 -0.253 1
1 451 . 17 1 1 A 75 75 GLY HA3 H 75 3.767 3.937 -0.170 1
1 452 . 17 1 1 A 75 75 GLY C C 75 177.626 176.718 0.908 1
1 453 . 17 1 1 A 75 75 GLY CA C 75 47.290 46.887 0.403 1
1 454 . 17 1 1 A 75 75 GLY N N 75 103.878 104.985 -1.107 1
1 455 . 17 1 1 A 76 76 ARG H H 76 7.637 7.986 -0.349 1
1 456 . 17 1 1 A 76 76 ARG HA H 76 3.908 4.069 -0.161 1
1 463 . 17 1 1 A 76 76 ARG C C 76 179.001 178.464 0.537 1
1 464 . 17 1 1 A 76 76 ARG CA C 76 59.378 59.094 0.284 1
1 465 . 17 1 1 A 76 76 ARG CB C 76 30.767 30.331 0.436 1
1 468 . 17 1 1 A 76 76 ARG N N 76 122.469 122.453 0.016 1
1 469 . 17 1 1 A 77 77 LEU H H 77 7.922 8.116 -0.194 1
1 470 . 17 1 1 A 77 77 LEU HA H 77 3.812 4.114 -0.302 1
1 480 . 17 1 1 A 77 77 LEU C C 77 179.835 178.867 0.968 1
1 481 . 17 1 1 A 77 77 LEU CA C 77 58.306 58.074 0.232 1
1 482 . 17 1 1 A 77 77 LEU CB C 77 42.365 41.769 0.596 1
1 486 . 17 1 1 A 77 77 LEU N N 77 120.640 120.388 0.252 1
1 487 . 17 1 1 A 78 78 VAL H H 78 8.287 8.259 0.028 1
1 488 . 17 1 1 A 78 78 VAL HA H 78 3.950 4.043 -0.093 1
1 496 . 17 1 1 A 78 78 VAL C C 78 181.099 177.848 3.251 1
1 497 . 17 1 1 A 78 78 VAL CA C 78 66.044 66.090 -0.046 1
1 498 . 17 1 1 A 78 78 VAL CB C 78 32.287 31.527 0.760 1
1 501 . 17 1 1 A 78 78 VAL N N 78 121.179 116.110 5.069 1
1 502 . 17 1 1 A 79 79 LYS H H 79 7.836 7.696 0.140 1
1 503 . 17 1 1 A 79 79 LYS HA H 79 4.004 4.008 -0.004 1
1 512 . 17 1 1 A 79 79 LYS CA C 79 59.189 59.472 -0.283 1
1 513 . 17 1 1 A 79 79 LYS CB C 79 29.238 32.406 -3.168 1
1 517 . 17 1 1 A 79 79 LYS N N 79 123.239 121.131 2.108 1
1 518 . 17 1 1 A 80 80 LYS HA H 80 4.179 4.421 -0.242 1
1 521 . 17 1 1 A 80 80 LYS CA C 80 57.269 55.862 1.407 1
1 522 . 17 1 1 A 80 80 LYS CB C 80 31.067 32.184 -1.117 1
1 523 . 17 1 1 A 81 81 GLU H H 81 7.801 7.936 -0.135 1
1 524 . 17 1 1 A 81 81 GLU HA H 81 4.513 4.046 0.467 1
1 527 . 17 1 1 A 81 81 GLU CA C 81 57.915 57.626 0.289 1
1 528 . 17 1 1 A 81 81 GLU CB C 81 26.150 28.827 -2.677 1
1 529 . 17 1 1 A 81 81 GLU N N 81 126.946 116.997 9.949 1
1 530 . 17 1 1 A 82 82 MET H H 82 7.978 7.953 0.025 1
1 531 . 17 1 1 A 82 82 MET HA H 82 3.781 4.374 -0.593 1
1 536 . 17 1 1 A 82 82 MET C C 82 176.695 175.173 1.522 1
1 537 . 17 1 1 A 82 82 MET CA C 82 57.599 58.147 -0.548 1
1 538 . 17 1 1 A 82 82 MET CB C 82 33.067 33.346 -0.279 1
1 540 . 17 1 1 A 82 82 MET N N 82 112.370 119.484 -7.114 1
1 541 . 17 1 1 A 83 83 LEU H H 83 6.928 7.733 -0.805 1
1 542 . 17 1 1 A 83 83 LEU HA H 83 5.042 4.959 0.083 1
1 548 . 17 1 1 A 83 83 LEU C C 83 175.376 175.295 0.081 1
1 549 . 17 1 1 A 83 83 LEU CA C 83 52.193 53.559 -1.366 1
1 550 . 17 1 1 A 83 83 LEU CB C 83 48.040 47.126 0.914 1
1 553 . 17 1 1 A 83 83 LEU N N 83 116.646 118.454 -1.808 1
1 554 . 17 1 1 A 84 84 SER H H 84 9.089 8.693 0.396 1
1 555 . 17 1 1 A 84 84 SER HA H 84 4.711 5.381 -0.670 1
1 558 . 17 1 1 A 84 84 SER C C 84 173.496 173.138 0.358 1
1 559 . 17 1 1 A 84 84 SER CA C 84 56.311 57.624 -1.313 1
1 560 . 17 1 1 A 84 84 SER CB C 84 65.943 66.949 -1.006 1
1 561 . 17 1 1 A 84 84 SER N N 84 115.366 115.958 -0.592 1
1 562 . 17 1 1 A 85 85 THR H H 85 8.091 8.648 -0.557 1
1 563 . 17 1 1 A 85 85 THR HA H 85 5.036 5.092 -0.056 1
1 568 . 17 1 1 A 85 85 THR C C 85 173.844 172.207 1.637 1
1 569 . 17 1 1 A 85 85 THR CA C 85 58.919 60.529 -1.610 1
1 570 . 17 1 1 A 85 85 THR CB C 85 71.518 71.128 0.390 1
1 572 . 17 1 1 A 85 85 THR N N 85 110.842 115.831 -4.989 1
1 573 . 17 1 1 A 86 86 GLU H H 86 8.128 8.955 -0.827 1
1 574 . 17 1 1 A 86 86 GLU HA H 86 4.413 5.081 -0.668 1
1 578 . 17 1 1 A 86 86 GLU C C 86 174.693 174.663 0.030 1
1 579 . 17 1 1 A 86 86 GLU CA C 86 54.405 54.302 0.103 1
1 580 . 17 1 1 A 86 86 GLU CB C 86 33.099 33.596 -0.497 1
1 582 . 17 1 1 A 86 86 GLU N N 86 122.318 125.832 -3.514 1
1 583 . 17 1 1 A 87 87 LYS H H 87 8.622 8.335 0.287 1
1 584 . 17 1 1 A 87 87 LYS HA H 87 4.153 3.790 0.363 1
1 593 . 17 1 1 A 87 87 LYS C C 87 175.909 174.998 0.911 1
1 594 . 17 1 1 A 87 87 LYS CA C 87 56.403 56.322 0.081 1
1 595 . 17 1 1 A 87 87 LYS CB C 87 32.960 32.380 0.580 1
1 599 . 17 1 1 A 87 87 LYS N N 87 124.854 122.902 1.952 1
1 600 . 17 1 1 A 88 88 GLU HA H 88 4.276 4.525 -0.249 1
1 604 . 17 1 1 A 88 88 GLU C C 88 175.998 176.231 -0.233 1
1 605 . 17 1 1 A 88 88 GLU CA C 88 55.362 55.715 -0.353 1
1 606 . 17 1 1 A 88 88 GLU CB C 88 30.945 32.523 -1.578 1
1 608 . 17 1 1 A 91 91 LYS H H 91 7.651 8.281 -0.630 1
1 609 . 17 1 1 A 91 91 LYS HA H 91 4.456 4.494 -0.038 1
1 616 . 17 1 1 A 91 91 LYS C C 91 174.960 175.795 -0.835 1
1 617 . 17 1 1 A 91 91 LYS CA C 91 54.992 55.961 -0.969 1
1 618 . 17 1 1 A 91 91 LYS CB C 91 34.855 34.177 0.678 1
1 622 . 17 1 1 A 91 91 LYS N N 91 119.096 118.392 0.704 1
1 623 . 17 1 1 A 92 92 PHE H H 92 7.904 9.034 -1.130 1
1 624 . 17 1 1 A 92 92 PHE HA H 92 4.772 5.165 -0.393 1
1 631 . 17 1 1 A 92 92 PHE C C 92 175.183 175.129 0.054 1
1 632 . 17 1 1 A 92 92 PHE CA C 92 57.762 57.351 0.411 1
1 633 . 17 1 1 A 92 92 PHE CB C 92 40.747 41.045 -0.298 1
1 634 . 17 1 1 A 92 92 PHE N N 92 118.936 119.359 -0.423 1
1 635 . 17 1 1 A 93 93 VAL H H 93 8.626 9.289 -0.663 1
1 636 . 17 1 1 A 93 93 VAL HA H 93 4.090 4.733 -0.643 1
1 644 . 17 1 1 A 93 93 VAL C C 93 174.856 175.219 -0.363 1
1 645 . 17 1 1 A 93 93 VAL CA C 93 61.228 61.830 -0.602 1
1 646 . 17 1 1 A 93 93 VAL CB C 93 33.595 32.460 1.135 1
1 648 . 17 1 1 A 93 93 VAL N N 93 120.649 122.803 -2.154 1
1 649 . 17 1 1 A 94 94 TYR H H 94 8.950 9.591 -0.641 1
1 650 . 17 1 1 A 94 94 TYR HA H 94 5.029 5.229 -0.200 1
1 657 . 17 1 1 A 94 94 TYR C C 94 175.242 175.793 -0.551 1
1 658 . 17 1 1 A 94 94 TYR CA C 94 57.619 57.640 -0.021 1
1 659 . 17 1 1 A 94 94 TYR CB C 94 41.447 39.408 2.039 1
1 660 . 17 1 1 A 94 94 TYR N N 94 125.589 127.260 -1.671 1
1 661 . 17 1 1 A 95 95 ARG H H 95 8.275 9.328 -1.053 1
1 662 . 17 1 1 A 95 95 ARG HA H 95 5.001 5.051 -0.050 1
1 665 . 17 1 1 A 95 95 ARG CA C 95 53.055 53.807 -0.752 1
1 666 . 17 1 1 A 95 95 ARG N N 95 118.094 121.762 -3.668 1
1 670 . 17 1 1 A 96 96 PRO CA C 96 63.815 62.383 1.432 1
1 671 . 17 1 1 A 96 96 PRO CB C 96 33.778 33.054 0.724 1
1 673 . 17 1 1 A 97 97 LEU H H 97 7.862 8.417 -0.555 1
1 674 . 17 1 1 A 97 97 LEU HA H 97 4.054 4.915 -0.861 1
1 684 . 17 1 1 A 97 97 LEU CA C 97 55.208 52.611 2.597 1
1 685 . 17 1 1 A 97 97 LEU CB C 97 42.072 45.466 -3.394 1
1 1 . 18 1 1 A 36 36 ALA HA H 36 4.250 4.351 -0.101 1
1 5 . 18 1 1 A 36 36 ALA CA C 36 55.550 55.231 0.319 1
1 6 . 18 1 1 A 36 36 ALA CB C 36 19.203 19.151 0.052 1
1 7 . 18 1 1 A 39 39 ILE HA H 39 4.250 3.811 0.439 1
1 17 . 18 1 1 A 39 39 ILE CA C 39 58.724 64.401 -5.677 1
1 18 . 18 1 1 A 39 39 ILE CB C 39 38.496 37.458 1.038 1
1 22 . 18 1 1 A 40 40 VAL HA H 40 3.198 3.976 -0.778 1
1 30 . 18 1 1 A 40 40 VAL CA C 40 67.086 65.204 1.882 1
1 31 . 18 1 1 A 40 40 VAL CB C 40 30.969 31.521 -0.552 1
1 34 . 18 1 1 A 42 42 ARG HA H 42 3.770 4.576 -0.806 1
1 35 . 18 1 1 A 42 42 ARG CA C 42 55.107 57.159 -2.052 1
1 36 . 18 1 1 A 43 43 VAL H H 43 7.364 8.187 -0.823 1
1 37 . 18 1 1 A 43 43 VAL HA H 43 3.506 3.832 -0.326 1
1 45 . 18 1 1 A 43 43 VAL C C 43 178.600 178.117 0.483 1
1 46 . 18 1 1 A 43 43 VAL CA C 43 66.598 65.700 0.898 1
1 47 . 18 1 1 A 43 43 VAL CB C 43 31.203 31.331 -0.128 1
1 50 . 18 1 1 A 43 43 VAL N N 43 119.765 116.103 3.662 1
1 51 . 18 1 1 A 44 44 ILE H H 44 7.829 7.711 0.118 1
1 52 . 18 1 1 A 44 44 ILE HA H 44 3.242 3.944 -0.702 1
1 62 . 18 1 1 A 44 44 ILE C C 44 178.289 178.300 -0.011 1
1 63 . 18 1 1 A 44 44 ILE CA C 44 66.146 63.835 2.311 1
1 64 . 18 1 1 A 44 44 ILE CB C 44 36.869 37.365 -0.496 1
1 68 . 18 1 1 A 44 44 ILE N N 44 120.991 121.642 -0.651 1
1 69 . 18 1 1 A 45 45 TRP H H 45 9.154 8.033 1.121 1
1 70 . 18 1 1 A 45 45 TRP HA H 45 4.377 4.159 0.218 1
1 77 . 18 1 1 A 45 45 TRP C C 45 179.154 178.752 0.402 1
1 78 . 18 1 1 A 45 45 TRP CA C 45 60.749 60.787 -0.038 1
1 79 . 18 1 1 A 45 45 TRP CB C 45 28.620 29.618 -0.998 1
1 80 . 18 1 1 A 45 45 TRP N N 45 119.877 122.953 -3.076 1
1 82 . 18 1 1 A 46 46 SER H H 46 7.556 8.108 -0.552 1
1 83 . 18 1 1 A 46 46 SER HA H 46 4.247 4.165 0.082 1
1 86 . 18 1 1 A 46 46 SER C C 46 175.737 177.419 -1.682 1
1 87 . 18 1 1 A 46 46 SER CA C 46 61.315 61.461 -0.146 1
1 88 . 18 1 1 A 46 46 SER CB C 46 63.510 62.659 0.851 1
1 89 . 18 1 1 A 46 46 SER N N 46 113.170 114.731 -1.561 1
1 90 . 18 1 1 A 47 47 LEU H H 47 7.667 7.311 0.356 1
1 91 . 18 1 1 A 47 47 LEU HA H 47 4.274 3.994 0.280 1
1 101 . 18 1 1 A 47 47 LEU C C 47 178.987 176.714 2.273 1
1 102 . 18 1 1 A 47 47 LEU CA C 47 55.835 56.806 -0.971 1
1 103 . 18 1 1 A 47 47 LEU CB C 47 43.548 42.575 0.973 1
1 107 . 18 1 1 A 47 47 LEU N N 47 120.838 120.668 0.170 1
1 108 . 18 1 1 A 48 48 GLY H H 48 8.656 8.057 0.599 1
1 109 . 18 1 1 A 48 48 GLY HA2 H 48 4.373 3.789 0.584 1
1 110 . 18 1 1 A 48 48 GLY HA3 H 48 3.296 3.838 -0.542 1
1 111 . 18 1 1 A 48 48 GLY C C 48 173.625 173.429 0.196 1
1 112 . 18 1 1 A 48 48 GLY CA C 48 46.944 45.045 1.899 1
1 113 . 18 1 1 A 48 48 GLY N N 48 113.217 106.420 6.797 1
1 114 . 18 1 1 A 49 49 GLU H H 49 7.347 7.936 -0.589 1
1 115 . 18 1 1 A 49 49 GLU HA H 49 4.830 5.124 -0.294 1
1 120 . 18 1 1 A 49 49 GLU C C 49 174.973 174.545 0.428 1
1 121 . 18 1 1 A 49 49 GLU CA C 49 55.026 55.171 -0.145 1
1 122 . 18 1 1 A 49 49 GLU CB C 49 31.947 33.108 -1.161 1
1 124 . 18 1 1 A 49 49 GLU N N 49 116.219 121.320 -5.101 1
1 125 . 18 1 1 A 50 50 ALA H H 50 8.598 8.716 -0.118 1
1 126 . 18 1 1 A 50 50 ALA HA H 50 4.817 5.102 -0.285 1
1 130 . 18 1 1 A 50 50 ALA C C 50 176.042 176.225 -0.183 1
1 131 . 18 1 1 A 50 50 ALA CA C 50 52.189 50.707 1.482 1
1 132 . 18 1 1 A 50 50 ALA CB C 50 24.738 23.317 1.421 1
1 133 . 18 1 1 A 50 50 ALA N N 50 122.121 128.340 -6.219 1
1 134 . 18 1 1 A 51 51 ARG H H 51 8.935 8.883 0.052 1
1 135 . 18 1 1 A 51 51 ARG HA H 51 5.098 4.855 0.243 1
1 142 . 18 1 1 A 51 51 ARG C C 51 178.696 177.843 0.853 1
1 143 . 18 1 1 A 51 51 ARG CA C 51 54.995 55.452 -0.457 1
1 144 . 18 1 1 A 51 51 ARG CB C 51 32.605 31.143 1.462 1
1 147 . 18 1 1 A 51 51 ARG N N 51 121.019 120.603 0.416 1
1 148 . 18 1 1 A 52 52 VAL H H 52 9.767 8.863 0.904 1
1 149 . 18 1 1 A 52 52 VAL HA H 52 3.494 3.874 -0.380 1
1 157 . 18 1 1 A 52 52 VAL C C 52 176.292 177.157 -0.865 1
1 158 . 18 1 1 A 52 52 VAL CA C 52 67.295 65.497 1.798 1
1 159 . 18 1 1 A 52 52 VAL CB C 52 31.427 31.419 0.008 1
1 162 . 18 1 1 A 52 52 VAL N N 52 121.483 122.326 -0.843 1
1 163 . 18 1 1 A 53 53 ASP H H 53 8.640 8.900 -0.260 1
1 164 . 18 1 1 A 53 53 ASP HA H 53 4.199 4.483 -0.284 1
1 167 . 18 1 1 A 53 53 ASP C C 53 178.904 178.708 0.196 1
1 168 . 18 1 1 A 53 53 ASP CA C 53 56.797 56.385 0.412 1
1 169 . 18 1 1 A 53 53 ASP CB C 53 39.068 39.664 -0.596 1
1 170 . 18 1 1 A 53 53 ASP N N 53 116.987 121.135 -4.148 1
1 171 . 18 1 1 A 54 54 GLU H H 54 7.028 7.948 -0.920 1
1 172 . 18 1 1 A 54 54 GLU HA H 54 4.017 4.186 -0.169 1
1 176 . 18 1 1 A 54 54 GLU C C 54 178.696 179.168 -0.472 1
1 177 . 18 1 1 A 54 54 GLU CA C 54 58.261 58.834 -0.573 1
1 178 . 18 1 1 A 54 54 GLU CB C 54 30.742 29.791 0.951 1
1 180 . 18 1 1 A 54 54 GLU N N 54 119.862 120.096 -0.234 1
1 181 . 18 1 1 A 55 55 ILE H H 55 7.639 7.938 -0.299 1
1 182 . 18 1 1 A 55 55 ILE HA H 55 3.345 3.832 -0.487 1
1 192 . 18 1 1 A 55 55 ILE C C 55 177.945 177.575 0.370 1
1 193 . 18 1 1 A 55 55 ILE CA C 55 64.533 64.393 0.140 1
1 194 . 18 1 1 A 55 55 ILE CB C 55 38.824 37.574 1.250 1
1 198 . 18 1 1 A 55 55 ILE N N 55 118.743 119.569 -0.826 1
1 199 . 18 1 1 A 56 56 TYR H H 56 8.548 8.436 0.112 1
1 200 . 18 1 1 A 56 56 TYR HA H 56 4.028 4.113 -0.085 1
1 207 . 18 1 1 A 56 56 TYR C C 56 177.279 177.965 -0.686 1
1 208 . 18 1 1 A 56 56 TYR CA C 56 61.046 61.781 -0.735 1
1 209 . 18 1 1 A 56 56 TYR CB C 56 38.746 38.453 0.293 1
1 210 . 18 1 1 A 56 56 TYR N N 56 117.394 124.251 -6.857 1
1 211 . 18 1 1 A 57 57 ALA H H 57 7.305 8.177 -0.872 1
1 212 . 18 1 1 A 57 57 ALA HA H 57 3.891 3.891 0.000 1
1 216 . 18 1 1 A 57 57 ALA C C 57 178.515 178.926 -0.411 1
1 217 . 18 1 1 A 57 57 ALA CA C 57 53.867 54.793 -0.926 1
1 218 . 18 1 1 A 57 57 ALA CB C 57 18.567 18.289 0.278 1
1 219 . 18 1 1 A 57 57 ALA N N 57 116.845 121.464 -4.619 1
1 220 . 18 1 1 A 58 58 GLN H H 58 7.182 7.846 -0.664 1
1 221 . 18 1 1 A 58 58 GLN HA H 58 4.182 4.256 -0.074 1
1 228 . 18 1 1 A 58 58 GLN C C 58 176.015 174.578 1.437 1
1 229 . 18 1 1 A 58 58 GLN CA C 58 54.679 56.176 -1.497 1
1 230 . 18 1 1 A 58 58 GLN CB C 58 29.584 29.048 0.536 1
1 232 . 18 1 1 A 58 58 GLN N N 58 113.228 114.409 -1.181 1
1 234 . 18 1 1 A 59 59 ILE H H 59 7.051 7.549 -0.498 1
1 235 . 18 1 1 A 59 59 ILE HA H 59 3.829 4.424 -0.595 1
1 245 . 18 1 1 A 59 59 ILE CA C 59 57.557 57.761 -0.204 1
1 246 . 18 1 1 A 59 59 ILE CB C 59 36.090 38.299 -2.209 1
1 250 . 18 1 1 A 59 59 ILE N N 59 121.926 119.452 2.474 1
1 251 . 18 1 1 A 60 60 PRO HA H 60 4.049 4.395 -0.346 1
1 258 . 18 1 1 A 60 60 PRO CA C 60 63.775 63.448 0.327 1
1 259 . 18 1 1 A 60 60 PRO CB C 60 32.050 32.135 -0.085 1
1 262 . 18 1 1 A 61 61 GLN H H 61 8.772 7.888 0.884 1
1 263 . 18 1 1 A 61 61 GLN HA H 61 3.772 4.092 -0.320 1
1 270 . 18 1 1 A 61 61 GLN C C 61 178.654 175.543 3.111 1
1 271 . 18 1 1 A 61 61 GLN CA C 61 58.761 58.052 0.709 1
1 272 . 18 1 1 A 61 61 GLN CB C 61 28.318 26.384 1.934 1
1 274 . 18 1 1 A 61 61 GLN N N 61 126.284 114.118 12.166 1
1 276 . 18 1 1 A 62 62 GLU H H 62 9.471 8.206 1.265 1
1 277 . 18 1 1 A 62 62 GLU HA H 62 3.971 4.044 -0.073 1
1 282 . 18 1 1 A 62 62 GLU C C 62 177.376 177.603 -0.227 1
1 283 . 18 1 1 A 62 62 GLU CA C 62 58.072 58.923 -0.851 1
1 284 . 18 1 1 A 62 62 GLU CB C 62 28.164 29.262 -1.098 1
1 286 . 18 1 1 A 62 62 GLU N N 62 118.102 119.188 -1.086 1
1 287 . 18 1 1 A 63 63 LEU H H 63 6.792 7.520 -0.728 1
1 288 . 18 1 1 A 63 63 LEU HA H 63 3.717 4.229 -0.512 1
1 298 . 18 1 1 A 63 63 LEU C C 63 176.570 176.171 0.399 1
1 299 . 18 1 1 A 63 63 LEU CA C 63 56.173 54.716 1.457 1
1 300 . 18 1 1 A 63 63 LEU CB C 63 39.610 41.921 -2.311 1
1 304 . 18 1 1 A 63 63 LEU N N 63 118.573 118.311 0.262 1
1 305 . 18 1 1 A 64 64 GLU H H 64 7.589 8.110 -0.521 1
1 306 . 18 1 1 A 64 64 GLU HA H 64 3.782 4.025 -0.243 1
1 311 . 18 1 1 A 64 64 GLU C C 64 176.723 175.826 0.897 1
1 312 . 18 1 1 A 64 64 GLU CA C 64 57.031 57.670 -0.639 1
1 313 . 18 1 1 A 64 64 GLU CB C 64 26.951 27.475 -0.524 1
1 315 . 18 1 1 A 64 64 GLU N N 64 112.960 116.274 -3.314 1
1 316 . 18 1 1 A 65 65 TRP H H 65 8.340 8.033 0.307 1
1 317 . 18 1 1 A 65 65 TRP HA H 65 5.097 4.778 0.319 1
1 323 . 18 1 1 A 65 65 TRP CA C 65 54.697 57.910 -3.213 1
1 324 . 18 1 1 A 65 65 TRP CB C 65 30.450 30.279 0.171 1
1 325 . 18 1 1 A 65 65 TRP N N 65 119.866 121.081 -1.215 1
1 327 . 18 1 1 A 66 66 SER HA H 66 4.700 5.082 -0.382 1
1 330 . 18 1 1 A 66 66 SER CA C 66 56.340 55.776 0.564 1
1 331 . 18 1 1 A 66 66 SER CB C 66 66.184 66.019 0.165 1
1 332 . 18 1 1 A 67 67 LEU H H 67 8.622 8.697 -0.075 1
1 333 . 18 1 1 A 67 67 LEU HA H 67 3.357 3.674 -0.317 1
1 343 . 18 1 1 A 67 67 LEU C C 67 178.779 178.423 0.356 1
1 344 . 18 1 1 A 67 67 LEU CA C 67 58.385 58.013 0.372 1
1 345 . 18 1 1 A 67 67 LEU CB C 67 41.218 40.935 0.283 1
1 349 . 18 1 1 A 67 67 LEU N N 67 123.216 126.490 -3.274 1
1 350 . 18 1 1 A 68 68 ALA H H 68 7.987 8.120 -0.133 1
1 351 . 18 1 1 A 68 68 ALA HA H 68 3.766 3.960 -0.194 1
1 355 . 18 1 1 A 68 68 ALA C C 68 180.626 180.061 0.565 1
1 356 . 18 1 1 A 68 68 ALA CA C 68 55.431 54.971 0.460 1
1 357 . 18 1 1 A 68 68 ALA CB C 68 17.780 18.087 -0.307 1
1 358 . 18 1 1 A 68 68 ALA N N 68 119.912 121.521 -1.609 1
1 359 . 18 1 1 A 69 69 THR H H 69 7.781 8.036 -0.255 1
1 360 . 18 1 1 A 69 69 THR HA H 69 3.477 3.664 -0.187 1
1 365 . 18 1 1 A 69 69 THR C C 69 176.154 175.888 0.266 1
1 366 . 18 1 1 A 69 69 THR CA C 69 66.975 66.970 0.005 1
1 367 . 18 1 1 A 69 69 THR CB C 69 68.525 68.311 0.214 1
1 369 . 18 1 1 A 69 69 THR N N 69 118.256 115.083 3.173 1
1 370 . 18 1 1 A 70 70 VAL H H 70 7.373 7.778 -0.405 1
1 371 . 18 1 1 A 70 70 VAL HA H 70 3.201 3.671 -0.470 1
1 379 . 18 1 1 A 70 70 VAL C C 70 177.265 177.766 -0.501 1
1 380 . 18 1 1 A 70 70 VAL CA C 70 67.795 65.293 2.502 1
1 381 . 18 1 1 A 70 70 VAL CB C 70 31.342 31.413 -0.071 1
1 384 . 18 1 1 A 70 70 VAL N N 70 120.502 120.273 0.229 1
1 385 . 18 1 1 A 71 71 LYS H H 71 8.521 7.286 1.235 1
1 386 . 18 1 1 A 71 71 LYS HA H 71 3.659 3.857 -0.198 1
1 395 . 18 1 1 A 71 71 LYS C C 71 180.154 179.416 0.738 1
1 396 . 18 1 1 A 71 71 LYS CA C 71 61.155 59.504 1.651 1
1 397 . 18 1 1 A 71 71 LYS CB C 71 32.114 32.184 -0.070 1
1 401 . 18 1 1 A 71 71 LYS N N 71 118.966 122.142 -3.176 1
1 402 . 18 1 1 A 72 72 THR H H 72 8.160 7.616 0.544 1
1 403 . 18 1 1 A 72 72 THR HA H 72 3.747 4.010 -0.263 1
1 408 . 18 1 1 A 72 72 THR C C 72 177.209 176.683 0.526 1
1 409 . 18 1 1 A 72 72 THR CA C 72 66.978 65.157 1.821 1
1 410 . 18 1 1 A 72 72 THR CB C 72 68.268 68.699 -0.431 1
1 412 . 18 1 1 A 72 72 THR N N 72 119.017 114.047 4.970 1
1 413 . 18 1 1 A 73 73 LEU H H 73 7.753 7.855 -0.102 1
1 414 . 18 1 1 A 73 73 LEU HA H 73 3.682 4.127 -0.445 1
1 424 . 18 1 1 A 73 73 LEU C C 73 178.821 178.726 0.095 1
1 425 . 18 1 1 A 73 73 LEU CA C 73 58.671 57.984 0.687 1
1 426 . 18 1 1 A 73 73 LEU CB C 73 42.182 41.558 0.624 1
1 430 . 18 1 1 A 73 73 LEU N N 73 123.340 122.926 0.414 1
1 431 . 18 1 1 A 74 74 LEU H H 74 8.341 8.370 -0.029 1
1 432 . 18 1 1 A 74 74 LEU HA H 74 3.551 3.896 -0.345 1
1 442 . 18 1 1 A 74 74 LEU C C 74 178.832 179.318 -0.486 1
1 443 . 18 1 1 A 74 74 LEU CA C 74 58.293 58.378 -0.085 1
1 444 . 18 1 1 A 74 74 LEU CB C 74 40.530 41.628 -1.098 1
1 448 . 18 1 1 A 74 74 LEU N N 74 118.538 119.223 -0.685 1
1 449 . 18 1 1 A 75 75 GLY H H 75 7.780 7.773 0.007 1
1 450 . 18 1 1 A 75 75 GLY HA2 H 75 3.648 3.826 -0.178 1
1 451 . 18 1 1 A 75 75 GLY HA3 H 75 3.767 3.842 -0.075 1
1 452 . 18 1 1 A 75 75 GLY C C 75 177.626 176.304 1.322 1
1 453 . 18 1 1 A 75 75 GLY CA C 75 47.290 47.097 0.193 1
1 454 . 18 1 1 A 75 75 GLY N N 75 103.878 104.965 -1.087 1
1 455 . 18 1 1 A 76 76 ARG H H 76 7.637 8.029 -0.392 1
1 456 . 18 1 1 A 76 76 ARG HA H 76 3.908 4.035 -0.127 1
1 463 . 18 1 1 A 76 76 ARG C C 76 179.001 178.754 0.247 1
1 464 . 18 1 1 A 76 76 ARG CA C 76 59.378 59.059 0.319 1
1 465 . 18 1 1 A 76 76 ARG CB C 76 30.767 30.295 0.472 1
1 468 . 18 1 1 A 76 76 ARG N N 76 122.469 122.384 0.085 1
1 469 . 18 1 1 A 77 77 LEU H H 77 7.922 8.067 -0.145 1
1 470 . 18 1 1 A 77 77 LEU HA H 77 3.812 4.187 -0.375 1
1 480 . 18 1 1 A 77 77 LEU C C 77 179.835 179.886 -0.051 1
1 481 . 18 1 1 A 77 77 LEU CA C 77 58.306 58.123 0.183 1
1 482 . 18 1 1 A 77 77 LEU CB C 77 42.365 41.757 0.608 1
1 486 . 18 1 1 A 77 77 LEU N N 77 120.640 120.428 0.212 1
1 487 . 18 1 1 A 78 78 VAL H H 78 8.287 8.187 0.100 1
1 488 . 18 1 1 A 78 78 VAL HA H 78 3.950 4.031 -0.081 1
1 496 . 18 1 1 A 78 78 VAL C C 78 181.099 178.074 3.025 1
1 497 . 18 1 1 A 78 78 VAL CA C 78 66.044 65.873 0.171 1
1 498 . 18 1 1 A 78 78 VAL CB C 78 32.287 31.514 0.773 1
1 501 . 18 1 1 A 78 78 VAL N N 78 121.179 114.281 6.898 1
1 502 . 18 1 1 A 79 79 LYS H H 79 7.836 8.021 -0.185 1
1 503 . 18 1 1 A 79 79 LYS HA H 79 4.004 4.230 -0.226 1
1 512 . 18 1 1 A 79 79 LYS CA C 79 59.189 58.437 0.752 1
1 513 . 18 1 1 A 79 79 LYS CB C 79 29.238 32.201 -2.963 1
1 517 . 18 1 1 A 79 79 LYS N N 79 123.239 120.593 2.646 1
1 518 . 18 1 1 A 80 80 LYS HA H 80 4.179 4.521 -0.342 1
1 521 . 18 1 1 A 80 80 LYS CA C 80 57.269 55.200 2.069 1
1 522 . 18 1 1 A 80 80 LYS CB C 80 31.067 32.917 -1.850 1
1 523 . 18 1 1 A 81 81 GLU H H 81 7.801 8.224 -0.423 1
1 524 . 18 1 1 A 81 81 GLU HA H 81 4.513 4.043 0.470 1
1 527 . 18 1 1 A 81 81 GLU CA C 81 57.915 57.277 0.638 1
1 528 . 18 1 1 A 81 81 GLU CB C 81 26.150 26.931 -0.781 1
1 529 . 18 1 1 A 81 81 GLU N N 81 126.946 117.040 9.906 1
1 530 . 18 1 1 A 82 82 MET H H 82 7.978 7.930 0.048 1
1 531 . 18 1 1 A 82 82 MET HA H 82 3.781 4.523 -0.742 1
1 536 . 18 1 1 A 82 82 MET C C 82 176.695 175.111 1.584 1
1 537 . 18 1 1 A 82 82 MET CA C 82 57.599 57.279 0.320 1
1 538 . 18 1 1 A 82 82 MET CB C 82 33.067 34.091 -1.024 1
1 540 . 18 1 1 A 82 82 MET N N 82 112.370 117.764 -5.394 1
1 541 . 18 1 1 A 83 83 LEU H H 83 6.928 7.590 -0.662 1
1 542 . 18 1 1 A 83 83 LEU HA H 83 5.042 4.946 0.096 1
1 548 . 18 1 1 A 83 83 LEU C C 83 175.376 175.599 -0.223 1
1 549 . 18 1 1 A 83 83 LEU CA C 83 52.193 52.974 -0.781 1
1 550 . 18 1 1 A 83 83 LEU CB C 83 48.040 46.068 1.972 1
1 553 . 18 1 1 A 83 83 LEU N N 83 116.646 119.707 -3.061 1
1 554 . 18 1 1 A 84 84 SER H H 84 9.089 8.656 0.433 1
1 555 . 18 1 1 A 84 84 SER HA H 84 4.711 5.169 -0.458 1
1 558 . 18 1 1 A 84 84 SER C C 84 173.496 173.061 0.435 1
1 559 . 18 1 1 A 84 84 SER CA C 84 56.311 57.612 -1.301 1
1 560 . 18 1 1 A 84 84 SER CB C 84 65.943 67.266 -1.323 1
1 561 . 18 1 1 A 84 84 SER N N 84 115.366 115.487 -0.121 1
1 562 . 18 1 1 A 85 85 THR H H 85 8.091 8.686 -0.595 1
1 563 . 18 1 1 A 85 85 THR HA H 85 5.036 4.977 0.059 1
1 568 . 18 1 1 A 85 85 THR C C 85 173.844 172.246 1.598 1
1 569 . 18 1 1 A 85 85 THR CA C 85 58.919 60.422 -1.503 1
1 570 . 18 1 1 A 85 85 THR CB C 85 71.518 71.254 0.264 1
1 572 . 18 1 1 A 85 85 THR N N 85 110.842 115.951 -5.109 1
1 573 . 18 1 1 A 86 86 GLU H H 86 8.128 8.862 -0.734 1
1 574 . 18 1 1 A 86 86 GLU HA H 86 4.413 5.152 -0.739 1
1 578 . 18 1 1 A 86 86 GLU C C 86 174.693 173.766 0.927 1
1 579 . 18 1 1 A 86 86 GLU CA C 86 54.405 54.405 0.000 1
1 580 . 18 1 1 A 86 86 GLU CB C 86 33.099 33.977 -0.878 1
1 582 . 18 1 1 A 86 86 GLU N N 86 122.318 125.492 -3.174 1
1 583 . 18 1 1 A 87 87 LYS H H 87 8.622 8.622 0.000 1
1 584 . 18 1 1 A 87 87 LYS HA H 87 4.153 4.853 -0.700 1
1 593 . 18 1 1 A 87 87 LYS C C 87 175.909 174.668 1.241 1
1 594 . 18 1 1 A 87 87 LYS CA C 87 56.403 54.257 2.146 1
1 595 . 18 1 1 A 87 87 LYS CB C 87 32.960 34.734 -1.774 1
1 599 . 18 1 1 A 87 87 LYS N N 87 124.854 121.360 3.494 1
1 600 . 18 1 1 A 88 88 GLU HA H 88 4.276 4.633 -0.357 1
1 604 . 18 1 1 A 88 88 GLU C C 88 175.998 176.779 -0.781 1
1 605 . 18 1 1 A 88 88 GLU CA C 88 55.362 55.277 0.085 1
1 606 . 18 1 1 A 88 88 GLU CB C 88 30.945 33.005 -2.060 1
1 608 . 18 1 1 A 91 91 LYS H H 91 7.651 7.655 -0.004 1
1 609 . 18 1 1 A 91 91 LYS HA H 91 4.456 4.313 0.143 1
1 616 . 18 1 1 A 91 91 LYS C C 91 174.960 175.862 -0.902 1
1 617 . 18 1 1 A 91 91 LYS CA C 91 54.992 55.997 -1.005 1
1 618 . 18 1 1 A 91 91 LYS CB C 91 34.855 33.721 1.134 1
1 622 . 18 1 1 A 91 91 LYS N N 91 119.096 121.734 -2.638 1
1 623 . 18 1 1 A 92 92 PHE H H 92 7.904 9.030 -1.126 1
1 624 . 18 1 1 A 92 92 PHE HA H 92 4.772 5.059 -0.287 1
1 631 . 18 1 1 A 92 92 PHE C C 92 175.183 175.352 -0.169 1
1 632 . 18 1 1 A 92 92 PHE CA C 92 57.762 57.335 0.427 1
1 633 . 18 1 1 A 92 92 PHE CB C 92 40.747 41.508 -0.761 1
1 634 . 18 1 1 A 92 92 PHE N N 92 118.936 124.582 -5.646 1
1 635 . 18 1 1 A 93 93 VAL H H 93 8.626 9.093 -0.467 1
1 636 . 18 1 1 A 93 93 VAL HA H 93 4.090 5.062 -0.972 1
1 644 . 18 1 1 A 93 93 VAL C C 93 174.856 174.119 0.737 1
1 645 . 18 1 1 A 93 93 VAL CA C 93 61.228 61.070 0.158 1
1 646 . 18 1 1 A 93 93 VAL CB C 93 33.595 35.114 -1.519 1
1 648 . 18 1 1 A 93 93 VAL N N 93 120.649 120.279 0.370 1
1 649 . 18 1 1 A 94 94 TYR H H 94 8.950 9.621 -0.671 1
1 650 . 18 1 1 A 94 94 TYR HA H 94 5.029 5.418 -0.389 1
1 657 . 18 1 1 A 94 94 TYR C C 94 175.242 175.359 -0.117 1
1 658 . 18 1 1 A 94 94 TYR CA C 94 57.619 56.531 1.088 1
1 659 . 18 1 1 A 94 94 TYR CB C 94 41.447 40.944 0.503 1
1 660 . 18 1 1 A 94 94 TYR N N 94 125.589 126.476 -0.887 1
1 661 . 18 1 1 A 95 95 ARG H H 95 8.275 9.145 -0.870 1
1 662 . 18 1 1 A 95 95 ARG HA H 95 5.001 5.069 -0.068 1
1 665 . 18 1 1 A 95 95 ARG CA C 95 53.055 53.465 -0.410 1
1 666 . 18 1 1 A 95 95 ARG N N 95 118.094 121.648 -3.554 1
1 670 . 18 1 1 A 96 96 PRO CA C 96 63.815 62.350 1.465 1
1 671 . 18 1 1 A 96 96 PRO CB C 96 33.778 32.795 0.983 1
1 673 . 18 1 1 A 97 97 LEU H H 97 7.862 8.552 -0.690 1
1 674 . 18 1 1 A 97 97 LEU HA H 97 4.054 4.154 -0.100 1
1 684 . 18 1 1 A 97 97 LEU CA C 97 55.208 55.281 -0.073 1
1 685 . 18 1 1 A 97 97 LEU CB C 97 42.072 42.804 -0.732 1
1 1 . 19 1 1 A 36 36 ALA HA H 36 4.250 4.321 -0.071 1
1 5 . 19 1 1 A 36 36 ALA CA C 36 55.550 55.603 -0.053 1
1 6 . 19 1 1 A 36 36 ALA CB C 36 19.203 18.546 0.657 1
1 7 . 19 1 1 A 39 39 ILE HA H 39 4.250 3.780 0.470 1
1 17 . 19 1 1 A 39 39 ILE CA C 39 58.724 64.530 -5.806 1
1 18 . 19 1 1 A 39 39 ILE CB C 39 38.496 37.533 0.963 1
1 22 . 19 1 1 A 40 40 VAL HA H 40 3.198 4.152 -0.954 1
1 30 . 19 1 1 A 40 40 VAL CA C 40 67.086 64.830 2.256 1
1 31 . 19 1 1 A 40 40 VAL CB C 40 30.969 31.142 -0.173 1
1 34 . 19 1 1 A 42 42 ARG HA H 42 3.770 4.641 -0.871 1
1 35 . 19 1 1 A 42 42 ARG CA C 42 55.107 57.639 -2.532 1
1 36 . 19 1 1 A 43 43 VAL H H 43 7.364 7.737 -0.373 1
1 37 . 19 1 1 A 43 43 VAL HA H 43 3.506 3.850 -0.344 1
1 45 . 19 1 1 A 43 43 VAL C C 43 178.600 178.547 0.053 1
1 46 . 19 1 1 A 43 43 VAL CA C 43 66.598 65.548 1.050 1
1 47 . 19 1 1 A 43 43 VAL CB C 43 31.203 31.638 -0.435 1
1 50 . 19 1 1 A 43 43 VAL N N 43 119.765 118.521 1.244 1
1 51 . 19 1 1 A 44 44 ILE H H 44 7.829 8.247 -0.418 1
1 52 . 19 1 1 A 44 44 ILE HA H 44 3.242 3.695 -0.453 1
1 62 . 19 1 1 A 44 44 ILE C C 44 178.289 178.480 -0.191 1
1 63 . 19 1 1 A 44 44 ILE CA C 44 66.146 65.102 1.044 1
1 64 . 19 1 1 A 44 44 ILE CB C 44 36.869 37.727 -0.858 1
1 68 . 19 1 1 A 44 44 ILE N N 44 120.991 121.615 -0.624 1
1 69 . 19 1 1 A 45 45 TRP H H 45 9.154 8.308 0.846 1
1 70 . 19 1 1 A 45 45 TRP HA H 45 4.377 4.154 0.223 1
1 77 . 19 1 1 A 45 45 TRP C C 45 179.154 178.981 0.173 1
1 78 . 19 1 1 A 45 45 TRP CA C 45 60.749 60.874 -0.125 1
1 79 . 19 1 1 A 45 45 TRP CB C 45 28.620 29.685 -1.065 1
1 80 . 19 1 1 A 45 45 TRP N N 45 119.877 122.255 -2.378 1
1 82 . 19 1 1 A 46 46 SER H H 46 7.556 8.075 -0.519 1
1 83 . 19 1 1 A 46 46 SER HA H 46 4.247 4.269 -0.022 1
1 86 . 19 1 1 A 46 46 SER C C 46 175.737 177.203 -1.466 1
1 87 . 19 1 1 A 46 46 SER CA C 46 61.315 60.980 0.335 1
1 88 . 19 1 1 A 46 46 SER CB C 46 63.510 63.092 0.418 1
1 89 . 19 1 1 A 46 46 SER N N 46 113.170 114.546 -1.376 1
1 90 . 19 1 1 A 47 47 LEU H H 47 7.667 7.411 0.256 1
1 91 . 19 1 1 A 47 47 LEU HA H 47 4.274 4.000 0.274 1
1 101 . 19 1 1 A 47 47 LEU C C 47 178.987 176.631 2.356 1
1 102 . 19 1 1 A 47 47 LEU CA C 47 55.835 57.337 -1.502 1
1 103 . 19 1 1 A 47 47 LEU CB C 47 43.548 42.266 1.282 1
1 107 . 19 1 1 A 47 47 LEU N N 47 120.838 120.114 0.724 1
1 108 . 19 1 1 A 48 48 GLY H H 48 8.656 7.723 0.933 1
1 109 . 19 1 1 A 48 48 GLY HA2 H 48 4.373 3.964 0.409 1
1 110 . 19 1 1 A 48 48 GLY HA3 H 48 3.296 3.978 -0.682 1
1 111 . 19 1 1 A 48 48 GLY C C 48 173.625 173.455 0.170 1
1 112 . 19 1 1 A 48 48 GLY CA C 48 46.944 45.353 1.591 1
1 113 . 19 1 1 A 48 48 GLY N N 48 113.217 105.817 7.400 1
1 114 . 19 1 1 A 49 49 GLU H H 49 7.347 7.971 -0.624 1
1 115 . 19 1 1 A 49 49 GLU HA H 49 4.830 4.805 0.025 1
1 120 . 19 1 1 A 49 49 GLU C C 49 174.973 174.549 0.424 1
1 121 . 19 1 1 A 49 49 GLU CA C 49 55.026 55.895 -0.869 1
1 122 . 19 1 1 A 49 49 GLU CB C 49 31.947 32.913 -0.966 1
1 124 . 19 1 1 A 49 49 GLU N N 49 116.219 120.879 -4.660 1
1 125 . 19 1 1 A 50 50 ALA H H 50 8.598 8.752 -0.154 1
1 126 . 19 1 1 A 50 50 ALA HA H 50 4.817 5.625 -0.808 1
1 130 . 19 1 1 A 50 50 ALA C C 50 176.042 175.902 0.140 1
1 131 . 19 1 1 A 50 50 ALA CA C 50 52.189 50.494 1.695 1
1 132 . 19 1 1 A 50 50 ALA CB C 50 24.738 23.913 0.825 1
1 133 . 19 1 1 A 50 50 ALA N N 50 122.121 129.003 -6.882 1
1 134 . 19 1 1 A 51 51 ARG H H 51 8.935 8.950 -0.015 1
1 135 . 19 1 1 A 51 51 ARG HA H 51 5.098 4.917 0.181 1
1 142 . 19 1 1 A 51 51 ARG C C 51 178.696 177.670 1.026 1
1 143 . 19 1 1 A 51 51 ARG CA C 51 54.995 54.760 0.235 1
1 144 . 19 1 1 A 51 51 ARG CB C 51 32.605 31.986 0.619 1
1 147 . 19 1 1 A 51 51 ARG N N 51 121.019 119.788 1.231 1
1 148 . 19 1 1 A 52 52 VAL H H 52 9.767 8.739 1.028 1
1 149 . 19 1 1 A 52 52 VAL HA H 52 3.494 3.995 -0.501 1
1 157 . 19 1 1 A 52 52 VAL C C 52 176.292 177.154 -0.862 1
1 158 . 19 1 1 A 52 52 VAL CA C 52 67.295 65.095 2.200 1
1 159 . 19 1 1 A 52 52 VAL CB C 52 31.427 31.999 -0.572 1
1 162 . 19 1 1 A 52 52 VAL N N 52 121.483 123.991 -2.508 1
1 163 . 19 1 1 A 53 53 ASP H H 53 8.640 8.989 -0.349 1
1 164 . 19 1 1 A 53 53 ASP HA H 53 4.199 4.467 -0.268 1
1 167 . 19 1 1 A 53 53 ASP C C 53 178.904 178.706 0.198 1
1 168 . 19 1 1 A 53 53 ASP CA C 53 56.797 56.198 0.599 1
1 169 . 19 1 1 A 53 53 ASP CB C 53 39.068 39.093 -0.025 1
1 170 . 19 1 1 A 53 53 ASP N N 53 116.987 120.229 -3.242 1
1 171 . 19 1 1 A 54 54 GLU H H 54 7.028 7.942 -0.914 1
1 172 . 19 1 1 A 54 54 GLU HA H 54 4.017 4.184 -0.167 1
1 176 . 19 1 1 A 54 54 GLU C C 54 178.696 178.708 -0.012 1
1 177 . 19 1 1 A 54 54 GLU CA C 54 58.261 58.722 -0.461 1
1 178 . 19 1 1 A 54 54 GLU CB C 54 30.742 29.738 1.004 1
1 180 . 19 1 1 A 54 54 GLU N N 54 119.862 119.506 0.356 1
1 181 . 19 1 1 A 55 55 ILE H H 55 7.639 8.262 -0.623 1
1 182 . 19 1 1 A 55 55 ILE HA H 55 3.345 3.871 -0.526 1
1 192 . 19 1 1 A 55 55 ILE C C 55 177.945 177.679 0.266 1
1 193 . 19 1 1 A 55 55 ILE CA C 55 64.533 64.598 -0.065 1
1 194 . 19 1 1 A 55 55 ILE CB C 55 38.824 37.724 1.100 1
1 198 . 19 1 1 A 55 55 ILE N N 55 118.743 119.654 -0.911 1
1 199 . 19 1 1 A 56 56 TYR H H 56 8.548 8.131 0.417 1
1 200 . 19 1 1 A 56 56 TYR HA H 56 4.028 4.125 -0.097 1
1 207 . 19 1 1 A 56 56 TYR C C 56 177.279 178.345 -1.066 1
1 208 . 19 1 1 A 56 56 TYR CA C 56 61.046 62.254 -1.208 1
1 209 . 19 1 1 A 56 56 TYR CB C 56 38.746 38.695 0.051 1
1 210 . 19 1 1 A 56 56 TYR N N 56 117.394 124.138 -6.744 1
1 211 . 19 1 1 A 57 57 ALA H H 57 7.305 7.955 -0.650 1
1 212 . 19 1 1 A 57 57 ALA HA H 57 3.891 4.112 -0.221 1
1 216 . 19 1 1 A 57 57 ALA C C 57 178.515 178.680 -0.165 1
1 217 . 19 1 1 A 57 57 ALA CA C 57 53.867 54.544 -0.677 1
1 218 . 19 1 1 A 57 57 ALA CB C 57 18.567 18.446 0.121 1
1 219 . 19 1 1 A 57 57 ALA N N 57 116.845 121.640 -4.795 1
1 220 . 19 1 1 A 58 58 GLN H H 58 7.182 7.505 -0.323 1
1 221 . 19 1 1 A 58 58 GLN HA H 58 4.182 4.349 -0.167 1
1 228 . 19 1 1 A 58 58 GLN C C 58 176.015 176.241 -0.226 1
1 229 . 19 1 1 A 58 58 GLN CA C 58 54.679 56.693 -2.014 1
1 230 . 19 1 1 A 58 58 GLN CB C 58 29.584 29.203 0.381 1
1 232 . 19 1 1 A 58 58 GLN N N 58 113.228 114.717 -1.489 1
1 234 . 19 1 1 A 59 59 ILE H H 59 7.051 7.280 -0.229 1
1 235 . 19 1 1 A 59 59 ILE HA H 59 3.829 4.149 -0.320 1
1 245 . 19 1 1 A 59 59 ILE CA C 59 57.557 58.775 -1.218 1
1 246 . 19 1 1 A 59 59 ILE CB C 59 36.090 38.075 -1.985 1
1 250 . 19 1 1 A 59 59 ILE N N 59 121.926 122.070 -0.144 1
1 251 . 19 1 1 A 60 60 PRO HA H 60 4.049 4.661 -0.612 1
1 258 . 19 1 1 A 60 60 PRO CA C 60 63.775 62.173 1.602 1
1 259 . 19 1 1 A 60 60 PRO CB C 60 32.050 32.985 -0.935 1
1 262 . 19 1 1 A 61 61 GLN H H 61 8.772 8.879 -0.107 1
1 263 . 19 1 1 A 61 61 GLN HA H 61 3.772 4.031 -0.259 1
1 270 . 19 1 1 A 61 61 GLN C C 61 178.654 177.743 0.911 1
1 271 . 19 1 1 A 61 61 GLN CA C 61 58.761 58.202 0.559 1
1 272 . 19 1 1 A 61 61 GLN CB C 61 28.318 28.320 -0.002 1
1 274 . 19 1 1 A 61 61 GLN N N 61 126.284 121.671 4.613 1
1 276 . 19 1 1 A 62 62 GLU H H 62 9.471 8.194 1.277 1
1 277 . 19 1 1 A 62 62 GLU HA H 62 3.971 3.984 -0.013 1
1 282 . 19 1 1 A 62 62 GLU C C 62 177.376 178.014 -0.638 1
1 283 . 19 1 1 A 62 62 GLU CA C 62 58.072 58.966 -0.894 1
1 284 . 19 1 1 A 62 62 GLU CB C 62 28.164 29.243 -1.079 1
1 286 . 19 1 1 A 62 62 GLU N N 62 118.102 118.272 -0.170 1
1 287 . 19 1 1 A 63 63 LEU H H 63 6.792 7.492 -0.700 1
1 288 . 19 1 1 A 63 63 LEU HA H 63 3.717 3.966 -0.249 1
1 298 . 19 1 1 A 63 63 LEU C C 63 176.570 175.820 0.750 1
1 299 . 19 1 1 A 63 63 LEU CA C 63 56.173 54.730 1.443 1
1 300 . 19 1 1 A 63 63 LEU CB C 63 39.610 41.503 -1.893 1
1 304 . 19 1 1 A 63 63 LEU N N 63 118.573 118.031 0.542 1
1 305 . 19 1 1 A 64 64 GLU H H 64 7.589 7.835 -0.246 1
1 306 . 19 1 1 A 64 64 GLU HA H 64 3.782 3.894 -0.112 1
1 311 . 19 1 1 A 64 64 GLU C C 64 176.723 175.114 1.609 1
1 312 . 19 1 1 A 64 64 GLU CA C 64 57.031 57.508 -0.477 1
1 313 . 19 1 1 A 64 64 GLU CB C 64 26.951 27.340 -0.389 1
1 315 . 19 1 1 A 64 64 GLU N N 64 112.960 116.160 -3.200 1
1 316 . 19 1 1 A 65 65 TRP H H 65 8.340 7.640 0.700 1
1 317 . 19 1 1 A 65 65 TRP HA H 65 5.097 4.995 0.102 1
1 323 . 19 1 1 A 65 65 TRP CA C 65 54.697 56.750 -2.053 1
1 324 . 19 1 1 A 65 65 TRP CB C 65 30.450 32.417 -1.967 1
1 325 . 19 1 1 A 65 65 TRP N N 65 119.866 120.525 -0.659 1
1 327 . 19 1 1 A 66 66 SER HA H 66 4.700 5.277 -0.577 1
1 330 . 19 1 1 A 66 66 SER CA C 66 56.340 56.103 0.237 1
1 331 . 19 1 1 A 66 66 SER CB C 66 66.184 65.808 0.376 1
1 332 . 19 1 1 A 67 67 LEU H H 67 8.622 8.802 -0.180 1
1 333 . 19 1 1 A 67 67 LEU HA H 67 3.357 3.480 -0.123 1
1 343 . 19 1 1 A 67 67 LEU C C 67 178.779 178.442 0.337 1
1 344 . 19 1 1 A 67 67 LEU CA C 67 58.385 57.884 0.501 1
1 345 . 19 1 1 A 67 67 LEU CB C 67 41.218 41.026 0.192 1
1 349 . 19 1 1 A 67 67 LEU N N 67 123.216 127.395 -4.179 1
1 350 . 19 1 1 A 68 68 ALA H H 68 7.987 8.124 -0.137 1
1 351 . 19 1 1 A 68 68 ALA HA H 68 3.766 3.954 -0.188 1
1 355 . 19 1 1 A 68 68 ALA C C 68 180.626 179.636 0.990 1
1 356 . 19 1 1 A 68 68 ALA CA C 68 55.431 55.063 0.368 1
1 357 . 19 1 1 A 68 68 ALA CB C 68 17.780 18.364 -0.584 1
1 358 . 19 1 1 A 68 68 ALA N N 68 119.912 122.557 -2.645 1
1 359 . 19 1 1 A 69 69 THR H H 69 7.781 7.868 -0.087 1
1 360 . 19 1 1 A 69 69 THR HA H 69 3.477 3.768 -0.291 1
1 365 . 19 1 1 A 69 69 THR C C 69 176.154 175.931 0.223 1
1 366 . 19 1 1 A 69 69 THR CA C 69 66.975 66.753 0.222 1
1 367 . 19 1 1 A 69 69 THR CB C 69 68.525 68.064 0.461 1
1 369 . 19 1 1 A 69 69 THR N N 69 118.256 114.885 3.371 1
1 370 . 19 1 1 A 70 70 VAL H H 70 7.373 8.265 -0.892 1
1 371 . 19 1 1 A 70 70 VAL HA H 70 3.201 3.618 -0.417 1
1 379 . 19 1 1 A 70 70 VAL C C 70 177.265 177.819 -0.554 1
1 380 . 19 1 1 A 70 70 VAL CA C 70 67.795 65.134 2.661 1
1 381 . 19 1 1 A 70 70 VAL CB C 70 31.342 31.067 0.275 1
1 384 . 19 1 1 A 70 70 VAL N N 70 120.502 120.118 0.384 1
1 385 . 19 1 1 A 71 71 LYS H H 71 8.521 7.743 0.778 1
1 386 . 19 1 1 A 71 71 LYS HA H 71 3.659 3.923 -0.264 1
1 395 . 19 1 1 A 71 71 LYS C C 71 180.154 179.584 0.570 1
1 396 . 19 1 1 A 71 71 LYS CA C 71 61.155 59.365 1.790 1
1 397 . 19 1 1 A 71 71 LYS CB C 71 32.114 32.197 -0.083 1
1 401 . 19 1 1 A 71 71 LYS N N 71 118.966 122.351 -3.385 1
1 402 . 19 1 1 A 72 72 THR H H 72 8.160 7.574 0.586 1
1 403 . 19 1 1 A 72 72 THR HA H 72 3.747 3.979 -0.232 1
1 408 . 19 1 1 A 72 72 THR C C 72 177.209 176.451 0.758 1
1 409 . 19 1 1 A 72 72 THR CA C 72 66.978 65.173 1.805 1
1 410 . 19 1 1 A 72 72 THR CB C 72 68.268 68.701 -0.433 1
1 412 . 19 1 1 A 72 72 THR N N 72 119.017 114.210 4.807 1
1 413 . 19 1 1 A 73 73 LEU H H 73 7.753 7.684 0.069 1
1 414 . 19 1 1 A 73 73 LEU HA H 73 3.682 4.117 -0.435 1
1 424 . 19 1 1 A 73 73 LEU C C 73 178.821 178.560 0.261 1
1 425 . 19 1 1 A 73 73 LEU CA C 73 58.671 57.842 0.829 1
1 426 . 19 1 1 A 73 73 LEU CB C 73 42.182 41.588 0.594 1
1 430 . 19 1 1 A 73 73 LEU N N 73 123.340 122.368 0.972 1
1 431 . 19 1 1 A 74 74 LEU H H 74 8.341 8.589 -0.248 1
1 432 . 19 1 1 A 74 74 LEU HA H 74 3.551 3.919 -0.368 1
1 442 . 19 1 1 A 74 74 LEU C C 74 178.832 179.415 -0.583 1
1 443 . 19 1 1 A 74 74 LEU CA C 74 58.293 58.413 -0.120 1
1 444 . 19 1 1 A 74 74 LEU CB C 74 40.530 41.316 -0.786 1
1 448 . 19 1 1 A 74 74 LEU N N 74 118.538 119.378 -0.840 1
1 449 . 19 1 1 A 75 75 GLY H H 75 7.780 8.261 -0.481 1
1 450 . 19 1 1 A 75 75 GLY HA2 H 75 3.648 3.945 -0.297 1
1 451 . 19 1 1 A 75 75 GLY HA3 H 75 3.767 3.991 -0.224 1
1 452 . 19 1 1 A 75 75 GLY C C 75 177.626 176.522 1.104 1
1 453 . 19 1 1 A 75 75 GLY CA C 75 47.290 46.923 0.367 1
1 454 . 19 1 1 A 75 75 GLY N N 75 103.878 104.987 -1.109 1
1 455 . 19 1 1 A 76 76 ARG H H 76 7.637 8.108 -0.471 1
1 456 . 19 1 1 A 76 76 ARG HA H 76 3.908 4.037 -0.129 1
1 463 . 19 1 1 A 76 76 ARG C C 76 179.001 178.596 0.405 1
1 464 . 19 1 1 A 76 76 ARG CA C 76 59.378 59.135 0.243 1
1 465 . 19 1 1 A 76 76 ARG CB C 76 30.767 30.510 0.257 1
1 468 . 19 1 1 A 76 76 ARG N N 76 122.469 122.481 -0.012 1
1 469 . 19 1 1 A 77 77 LEU H H 77 7.922 8.151 -0.229 1
1 470 . 19 1 1 A 77 77 LEU HA H 77 3.812 4.106 -0.294 1
1 480 . 19 1 1 A 77 77 LEU C C 77 179.835 179.906 -0.071 1
1 481 . 19 1 1 A 77 77 LEU CA C 77 58.306 58.142 0.164 1
1 482 . 19 1 1 A 77 77 LEU CB C 77 42.365 41.658 0.707 1
1 486 . 19 1 1 A 77 77 LEU N N 77 120.640 120.077 0.563 1
1 487 . 19 1 1 A 78 78 VAL H H 78 8.287 8.398 -0.111 1
1 488 . 19 1 1 A 78 78 VAL HA H 78 3.950 4.176 -0.226 1
1 496 . 19 1 1 A 78 78 VAL C C 78 181.099 178.028 3.071 1
1 497 . 19 1 1 A 78 78 VAL CA C 78 66.044 65.813 0.231 1
1 498 . 19 1 1 A 78 78 VAL CB C 78 32.287 31.381 0.906 1
1 501 . 19 1 1 A 78 78 VAL N N 78 121.179 113.553 7.626 1
1 502 . 19 1 1 A 79 79 LYS H H 79 7.836 7.591 0.245 1
1 503 . 19 1 1 A 79 79 LYS HA H 79 4.004 4.030 -0.026 1
1 512 . 19 1 1 A 79 79 LYS CA C 79 59.189 59.767 -0.578 1
1 513 . 19 1 1 A 79 79 LYS CB C 79 29.238 32.329 -3.091 1
1 517 . 19 1 1 A 79 79 LYS N N 79 123.239 121.179 2.060 1
1 518 . 19 1 1 A 80 80 LYS HA H 80 4.179 4.481 -0.302 1
1 521 . 19 1 1 A 80 80 LYS CA C 80 57.269 55.546 1.723 1
1 522 . 19 1 1 A 80 80 LYS CB C 80 31.067 32.582 -1.515 1
1 523 . 19 1 1 A 81 81 GLU H H 81 7.801 8.066 -0.265 1
1 524 . 19 1 1 A 81 81 GLU HA H 81 4.513 4.039 0.474 1
1 527 . 19 1 1 A 81 81 GLU CA C 81 57.915 57.547 0.368 1
1 528 . 19 1 1 A 81 81 GLU CB C 81 26.150 26.973 -0.823 1
1 529 . 19 1 1 A 81 81 GLU N N 81 126.946 116.400 10.546 1
1 530 . 19 1 1 A 82 82 MET H H 82 7.978 8.021 -0.043 1
1 531 . 19 1 1 A 82 82 MET HA H 82 3.781 4.480 -0.699 1
1 536 . 19 1 1 A 82 82 MET C C 82 176.695 176.239 0.456 1
1 537 . 19 1 1 A 82 82 MET CA C 82 57.599 58.191 -0.592 1
1 538 . 19 1 1 A 82 82 MET CB C 82 33.067 34.332 -1.265 1
1 540 . 19 1 1 A 82 82 MET N N 82 112.370 117.415 -5.045 1
1 541 . 19 1 1 A 83 83 LEU H H 83 6.928 7.622 -0.694 1
1 542 . 19 1 1 A 83 83 LEU HA H 83 5.042 4.938 0.104 1
1 548 . 19 1 1 A 83 83 LEU C C 83 175.376 175.466 -0.090 1
1 549 . 19 1 1 A 83 83 LEU CA C 83 52.193 53.065 -0.872 1
1 550 . 19 1 1 A 83 83 LEU CB C 83 48.040 46.119 1.921 1
1 553 . 19 1 1 A 83 83 LEU N N 83 116.646 117.493 -0.847 1
1 554 . 19 1 1 A 84 84 SER H H 84 9.089 9.031 0.058 1
1 555 . 19 1 1 A 84 84 SER HA H 84 4.711 5.492 -0.781 1
1 558 . 19 1 1 A 84 84 SER C C 84 173.496 173.226 0.270 1
1 559 . 19 1 1 A 84 84 SER CA C 84 56.311 57.526 -1.215 1
1 560 . 19 1 1 A 84 84 SER CB C 84 65.943 66.788 -0.845 1
1 561 . 19 1 1 A 84 84 SER N N 84 115.366 115.532 -0.166 1
1 562 . 19 1 1 A 85 85 THR H H 85 8.091 8.773 -0.682 1
1 563 . 19 1 1 A 85 85 THR HA H 85 5.036 4.916 0.120 1
1 568 . 19 1 1 A 85 85 THR C C 85 173.844 171.704 2.140 1
1 569 . 19 1 1 A 85 85 THR CA C 85 58.919 59.889 -0.970 1
1 570 . 19 1 1 A 85 85 THR CB C 85 71.518 70.799 0.719 1
1 572 . 19 1 1 A 85 85 THR N N 85 110.842 115.792 -4.950 1
1 573 . 19 1 1 A 86 86 GLU H H 86 8.128 8.545 -0.417 1
1 574 . 19 1 1 A 86 86 GLU HA H 86 4.413 4.655 -0.242 1
1 578 . 19 1 1 A 86 86 GLU C C 86 174.693 173.928 0.765 1
1 579 . 19 1 1 A 86 86 GLU CA C 86 54.405 54.458 -0.053 1
1 580 . 19 1 1 A 86 86 GLU CB C 86 33.099 34.138 -1.039 1
1 582 . 19 1 1 A 86 86 GLU N N 86 122.318 124.448 -2.130 1
1 583 . 19 1 1 A 87 87 LYS H H 87 8.622 8.009 0.613 1
1 584 . 19 1 1 A 87 87 LYS HA H 87 4.153 3.905 0.248 1
1 593 . 19 1 1 A 87 87 LYS C C 87 175.909 175.182 0.727 1
1 594 . 19 1 1 A 87 87 LYS CA C 87 56.403 55.608 0.795 1
1 595 . 19 1 1 A 87 87 LYS CB C 87 32.960 33.286 -0.326 1
1 599 . 19 1 1 A 87 87 LYS N N 87 124.854 123.119 1.735 1
1 600 . 19 1 1 A 88 88 GLU HA H 88 4.276 4.597 -0.321 1
1 604 . 19 1 1 A 88 88 GLU C C 88 175.998 176.466 -0.468 1
1 605 . 19 1 1 A 88 88 GLU CA C 88 55.362 54.871 0.491 1
1 606 . 19 1 1 A 88 88 GLU CB C 88 30.945 30.676 0.269 1
1 608 . 19 1 1 A 91 91 LYS H H 91 7.651 7.412 0.239 1
1 609 . 19 1 1 A 91 91 LYS HA H 91 4.456 5.018 -0.562 1
1 616 . 19 1 1 A 91 91 LYS C C 91 174.960 174.992 -0.032 1
1 617 . 19 1 1 A 91 91 LYS CA C 91 54.992 54.734 0.258 1
1 618 . 19 1 1 A 91 91 LYS CB C 91 34.855 35.141 -0.286 1
1 622 . 19 1 1 A 91 91 LYS N N 91 119.096 120.572 -1.476 1
1 623 . 19 1 1 A 92 92 PHE H H 92 7.904 8.993 -1.089 1
1 624 . 19 1 1 A 92 92 PHE HA H 92 4.772 5.147 -0.375 1
1 631 . 19 1 1 A 92 92 PHE C C 92 175.183 174.789 0.394 1
1 632 . 19 1 1 A 92 92 PHE CA C 92 57.762 56.696 1.066 1
1 633 . 19 1 1 A 92 92 PHE CB C 92 40.747 42.955 -2.208 1
1 634 . 19 1 1 A 92 92 PHE N N 92 118.936 122.535 -3.599 1
1 635 . 19 1 1 A 93 93 VAL H H 93 8.626 8.972 -0.346 1
1 636 . 19 1 1 A 93 93 VAL HA H 93 4.090 5.130 -1.040 1
1 644 . 19 1 1 A 93 93 VAL C C 93 174.856 174.346 0.510 1
1 645 . 19 1 1 A 93 93 VAL CA C 93 61.228 61.301 -0.073 1
1 646 . 19 1 1 A 93 93 VAL CB C 93 33.595 33.888 -0.293 1
1 648 . 19 1 1 A 93 93 VAL N N 93 120.649 122.230 -1.581 1
1 649 . 19 1 1 A 94 94 TYR H H 94 8.950 9.642 -0.692 1
1 650 . 19 1 1 A 94 94 TYR HA H 94 5.029 5.392 -0.363 1
1 657 . 19 1 1 A 94 94 TYR C C 94 175.242 175.084 0.158 1
1 658 . 19 1 1 A 94 94 TYR CA C 94 57.619 56.076 1.543 1
1 659 . 19 1 1 A 94 94 TYR CB C 94 41.447 41.799 -0.352 1
1 660 . 19 1 1 A 94 94 TYR N N 94 125.589 125.524 0.065 1
1 661 . 19 1 1 A 95 95 ARG H H 95 8.275 9.098 -0.823 1
1 662 . 19 1 1 A 95 95 ARG HA H 95 5.001 5.078 -0.077 1
1 665 . 19 1 1 A 95 95 ARG CA C 95 53.055 53.683 -0.628 1
1 666 . 19 1 1 A 95 95 ARG N N 95 118.094 121.018 -2.924 1
1 670 . 19 1 1 A 96 96 PRO CA C 96 63.815 62.452 1.363 1
1 671 . 19 1 1 A 96 96 PRO CB C 96 33.778 33.198 0.580 1
1 673 . 19 1 1 A 97 97 LEU H H 97 7.862 8.380 -0.518 1
1 674 . 19 1 1 A 97 97 LEU HA H 97 4.054 5.277 -1.223 1
1 684 . 19 1 1 A 97 97 LEU CA C 97 55.208 52.654 2.554 1
1 685 . 19 1 1 A 97 97 LEU CB C 97 42.072 46.257 -4.185 1
1 1 . 20 1 1 A 36 36 ALA HA H 36 4.250 4.290 -0.040 1
1 5 . 20 1 1 A 36 36 ALA CA C 36 55.550 52.777 2.773 1
1 6 . 20 1 1 A 36 36 ALA CB C 36 19.203 19.380 -0.177 1
1 7 . 20 1 1 A 39 39 ILE HA H 39 4.250 3.730 0.520 1
1 17 . 20 1 1 A 39 39 ILE CA C 39 58.724 65.308 -6.584 1
1 18 . 20 1 1 A 39 39 ILE CB C 39 38.496 37.858 0.638 1
1 22 . 20 1 1 A 40 40 VAL HA H 40 3.198 3.996 -0.798 1
1 30 . 20 1 1 A 40 40 VAL CA C 40 67.086 64.871 2.215 1
1 31 . 20 1 1 A 40 40 VAL CB C 40 30.969 31.497 -0.528 1
1 34 . 20 1 1 A 42 42 ARG HA H 42 3.770 4.288 -0.518 1
1 35 . 20 1 1 A 42 42 ARG CA C 42 55.107 58.121 -3.014 1
1 36 . 20 1 1 A 43 43 VAL H H 43 7.364 7.994 -0.630 1
1 37 . 20 1 1 A 43 43 VAL HA H 43 3.506 3.844 -0.338 1
1 45 . 20 1 1 A 43 43 VAL C C 43 178.600 178.420 0.180 1
1 46 . 20 1 1 A 43 43 VAL CA C 43 66.598 65.268 1.330 1
1 47 . 20 1 1 A 43 43 VAL CB C 43 31.203 31.957 -0.754 1
1 50 . 20 1 1 A 43 43 VAL N N 43 119.765 118.296 1.469 1
1 51 . 20 1 1 A 44 44 ILE H H 44 7.829 8.205 -0.376 1
1 52 . 20 1 1 A 44 44 ILE HA H 44 3.242 3.667 -0.425 1
1 62 . 20 1 1 A 44 44 ILE C C 44 178.289 178.187 0.102 1
1 63 . 20 1 1 A 44 44 ILE CA C 44 66.146 65.081 1.065 1
1 64 . 20 1 1 A 44 44 ILE CB C 44 36.869 37.687 -0.818 1
1 68 . 20 1 1 A 44 44 ILE N N 44 120.991 121.677 -0.686 1
1 69 . 20 1 1 A 45 45 TRP H H 45 9.154 8.284 0.870 1
1 70 . 20 1 1 A 45 45 TRP HA H 45 4.377 4.160 0.217 1
1 77 . 20 1 1 A 45 45 TRP C C 45 179.154 178.867 0.287 1
1 78 . 20 1 1 A 45 45 TRP CA C 45 60.749 61.269 -0.520 1
1 79 . 20 1 1 A 45 45 TRP CB C 45 28.620 29.769 -1.149 1
1 80 . 20 1 1 A 45 45 TRP N N 45 119.877 122.505 -2.628 1
1 82 . 20 1 1 A 46 46 SER H H 46 7.556 7.899 -0.343 1
1 83 . 20 1 1 A 46 46 SER HA H 46 4.247 4.292 -0.045 1
1 86 . 20 1 1 A 46 46 SER C C 46 175.737 177.452 -1.715 1
1 87 . 20 1 1 A 46 46 SER CA C 46 61.315 61.261 0.054 1
1 88 . 20 1 1 A 46 46 SER CB C 46 63.510 62.837 0.673 1
1 89 . 20 1 1 A 46 46 SER N N 46 113.170 114.661 -1.491 1
1 90 . 20 1 1 A 47 47 LEU H H 47 7.667 7.309 0.358 1
1 91 . 20 1 1 A 47 47 LEU HA H 47 4.274 4.187 0.087 1
1 101 . 20 1 1 A 47 47 LEU C C 47 178.987 176.481 2.506 1
1 102 . 20 1 1 A 47 47 LEU CA C 47 55.835 56.485 -0.650 1
1 103 . 20 1 1 A 47 47 LEU CB C 47 43.548 42.996 0.552 1
1 107 . 20 1 1 A 47 47 LEU N N 47 120.838 120.903 -0.065 1
1 108 . 20 1 1 A 48 48 GLY H H 48 8.656 8.366 0.290 1
1 109 . 20 1 1 A 48 48 GLY HA2 H 48 4.373 3.929 0.444 1
1 110 . 20 1 1 A 48 48 GLY HA3 H 48 3.296 3.982 -0.686 1
1 111 . 20 1 1 A 48 48 GLY C C 48 173.625 173.469 0.156 1
1 112 . 20 1 1 A 48 48 GLY CA C 48 46.944 45.312 1.632 1
1 113 . 20 1 1 A 48 48 GLY N N 48 113.217 105.522 7.695 1
1 114 . 20 1 1 A 49 49 GLU H H 49 7.347 8.030 -0.683 1
1 115 . 20 1 1 A 49 49 GLU HA H 49 4.830 4.864 -0.034 1
1 120 . 20 1 1 A 49 49 GLU C C 49 174.973 174.699 0.274 1
1 121 . 20 1 1 A 49 49 GLU CA C 49 55.026 55.000 0.026 1
1 122 . 20 1 1 A 49 49 GLU CB C 49 31.947 33.094 -1.147 1
1 124 . 20 1 1 A 49 49 GLU N N 49 116.219 120.246 -4.027 1
1 125 . 20 1 1 A 50 50 ALA H H 50 8.598 8.944 -0.346 1
1 126 . 20 1 1 A 50 50 ALA HA H 50 4.817 5.317 -0.500 1
1 130 . 20 1 1 A 50 50 ALA C C 50 176.042 176.633 -0.591 1
1 131 . 20 1 1 A 50 50 ALA CA C 50 52.189 50.281 1.908 1
1 132 . 20 1 1 A 50 50 ALA CB C 50 24.738 22.291 2.447 1
1 133 . 20 1 1 A 50 50 ALA N N 50 122.121 126.836 -4.715 1
1 134 . 20 1 1 A 51 51 ARG H H 51 8.935 8.725 0.210 1
1 135 . 20 1 1 A 51 51 ARG HA H 51 5.098 4.957 0.141 1
1 142 . 20 1 1 A 51 51 ARG C C 51 178.696 176.398 2.298 1
1 143 . 20 1 1 A 51 51 ARG CA C 51 54.995 55.813 -0.818 1
1 144 . 20 1 1 A 51 51 ARG CB C 51 32.605 31.065 1.540 1
1 147 . 20 1 1 A 51 51 ARG N N 51 121.019 123.075 -2.056 1
1 148 . 20 1 1 A 52 52 VAL H H 52 9.767 8.431 1.336 1
1 149 . 20 1 1 A 52 52 VAL HA H 52 3.494 3.976 -0.482 1
1 157 . 20 1 1 A 52 52 VAL C C 52 176.292 177.167 -0.875 1
1 158 . 20 1 1 A 52 52 VAL CA C 52 67.295 65.359 1.936 1
1 159 . 20 1 1 A 52 52 VAL CB C 52 31.427 31.872 -0.445 1
1 162 . 20 1 1 A 52 52 VAL N N 52 121.483 120.496 0.987 1
1 163 . 20 1 1 A 53 53 ASP H H 53 8.640 8.988 -0.348 1
1 164 . 20 1 1 A 53 53 ASP HA H 53 4.199 4.402 -0.203 1
1 167 . 20 1 1 A 53 53 ASP C C 53 178.904 178.257 0.647 1
1 168 . 20 1 1 A 53 53 ASP CA C 53 56.797 56.212 0.585 1
1 169 . 20 1 1 A 53 53 ASP CB C 53 39.068 39.234 -0.166 1
1 170 . 20 1 1 A 53 53 ASP N N 53 116.987 121.173 -4.186 1
1 171 . 20 1 1 A 54 54 GLU H H 54 7.028 8.053 -1.025 1
1 172 . 20 1 1 A 54 54 GLU HA H 54 4.017 4.269 -0.252 1
1 176 . 20 1 1 A 54 54 GLU C C 54 178.696 179.182 -0.486 1
1 177 . 20 1 1 A 54 54 GLU CA C 54 58.261 58.924 -0.663 1
1 178 . 20 1 1 A 54 54 GLU CB C 54 30.742 29.839 0.903 1
1 180 . 20 1 1 A 54 54 GLU N N 54 119.862 120.011 -0.149 1
1 181 . 20 1 1 A 55 55 ILE H H 55 7.639 8.296 -0.657 1
1 182 . 20 1 1 A 55 55 ILE HA H 55 3.345 3.879 -0.534 1
1 192 . 20 1 1 A 55 55 ILE C C 55 177.945 177.772 0.173 1
1 193 . 20 1 1 A 55 55 ILE CA C 55 64.533 64.450 0.083 1
1 194 . 20 1 1 A 55 55 ILE CB C 55 38.824 37.619 1.205 1
1 198 . 20 1 1 A 55 55 ILE N N 55 118.743 119.700 -0.957 1
1 199 . 20 1 1 A 56 56 TYR H H 56 8.548 8.020 0.528 1
1 200 . 20 1 1 A 56 56 TYR HA H 56 4.028 4.083 -0.055 1
1 207 . 20 1 1 A 56 56 TYR C C 56 177.279 178.127 -0.848 1
1 208 . 20 1 1 A 56 56 TYR CA C 56 61.046 62.290 -1.244 1
1 209 . 20 1 1 A 56 56 TYR CB C 56 38.746 38.874 -0.128 1
1 210 . 20 1 1 A 56 56 TYR N N 56 117.394 124.173 -6.779 1
1 211 . 20 1 1 A 57 57 ALA H H 57 7.305 8.023 -0.718 1
1 212 . 20 1 1 A 57 57 ALA HA H 57 3.891 4.231 -0.340 1
1 216 . 20 1 1 A 57 57 ALA C C 57 178.515 178.304 0.211 1
1 217 . 20 1 1 A 57 57 ALA CA C 57 53.867 54.306 -0.439 1
1 218 . 20 1 1 A 57 57 ALA CB C 57 18.567 18.412 0.155 1
1 219 . 20 1 1 A 57 57 ALA N N 57 116.845 121.605 -4.760 1
1 220 . 20 1 1 A 58 58 GLN H H 58 7.182 7.655 -0.473 1
1 221 . 20 1 1 A 58 58 GLN HA H 58 4.182 4.454 -0.272 1
1 228 . 20 1 1 A 58 58 GLN C C 58 176.015 175.269 0.746 1
1 229 . 20 1 1 A 58 58 GLN CA C 58 54.679 55.160 -0.481 1
1 230 . 20 1 1 A 58 58 GLN CB C 58 29.584 29.317 0.267 1
1 232 . 20 1 1 A 58 58 GLN N N 58 113.228 115.045 -1.817 1
1 234 . 20 1 1 A 59 59 ILE H H 59 7.051 7.264 -0.213 1
1 235 . 20 1 1 A 59 59 ILE HA H 59 3.829 4.082 -0.253 1
1 245 . 20 1 1 A 59 59 ILE CA C 59 57.557 58.735 -1.178 1
1 246 . 20 1 1 A 59 59 ILE CB C 59 36.090 37.952 -1.862 1
1 250 . 20 1 1 A 59 59 ILE N N 59 121.926 121.934 -0.008 1
1 251 . 20 1 1 A 60 60 PRO HA H 60 4.049 4.719 -0.670 1
1 258 . 20 1 1 A 60 60 PRO CA C 60 63.775 61.725 2.050 1
1 259 . 20 1 1 A 60 60 PRO CB C 60 32.050 32.657 -0.607 1
1 262 . 20 1 1 A 61 61 GLN H H 61 8.772 8.524 0.248 1
1 263 . 20 1 1 A 61 61 GLN HA H 61 3.772 3.932 -0.160 1
1 270 . 20 1 1 A 61 61 GLN C C 61 178.654 178.170 0.484 1
1 271 . 20 1 1 A 61 61 GLN CA C 61 58.761 58.816 -0.055 1
1 272 . 20 1 1 A 61 61 GLN CB C 61 28.318 28.275 0.043 1
1 274 . 20 1 1 A 61 61 GLN N N 61 126.284 121.973 4.311 1
1 276 . 20 1 1 A 62 62 GLU H H 62 9.471 8.153 1.318 1
1 277 . 20 1 1 A 62 62 GLU HA H 62 3.971 3.954 0.017 1
1 282 . 20 1 1 A 62 62 GLU C C 62 177.376 179.052 -1.676 1
1 283 . 20 1 1 A 62 62 GLU CA C 62 58.072 58.961 -0.889 1
1 284 . 20 1 1 A 62 62 GLU CB C 62 28.164 29.350 -1.186 1
1 286 . 20 1 1 A 62 62 GLU N N 62 118.102 119.911 -1.809 1
1 287 . 20 1 1 A 63 63 LEU H H 63 6.792 7.151 -0.359 1
1 288 . 20 1 1 A 63 63 LEU HA H 63 3.717 3.908 -0.191 1
1 298 . 20 1 1 A 63 63 LEU C C 63 176.570 176.124 0.446 1
1 299 . 20 1 1 A 63 63 LEU CA C 63 56.173 55.410 0.763 1
1 300 . 20 1 1 A 63 63 LEU CB C 63 39.610 41.693 -2.083 1
1 304 . 20 1 1 A 63 63 LEU N N 63 118.573 118.517 0.056 1
1 305 . 20 1 1 A 64 64 GLU H H 64 7.589 7.753 -0.164 1
1 306 . 20 1 1 A 64 64 GLU HA H 64 3.782 3.863 -0.081 1
1 311 . 20 1 1 A 64 64 GLU C C 64 176.723 175.583 1.140 1
1 312 . 20 1 1 A 64 64 GLU CA C 64 57.031 57.522 -0.491 1
1 313 . 20 1 1 A 64 64 GLU CB C 64 26.951 27.221 -0.270 1
1 315 . 20 1 1 A 64 64 GLU N N 64 112.960 115.916 -2.956 1
1 316 . 20 1 1 A 65 65 TRP H H 65 8.340 7.826 0.514 1
1 317 . 20 1 1 A 65 65 TRP HA H 65 5.097 4.700 0.397 1
1 323 . 20 1 1 A 65 65 TRP CA C 65 54.697 56.808 -2.111 1
1 324 . 20 1 1 A 65 65 TRP CB C 65 30.450 29.773 0.677 1
1 325 . 20 1 1 A 65 65 TRP N N 65 119.866 121.601 -1.735 1
1 327 . 20 1 1 A 66 66 SER HA H 66 4.700 4.662 0.038 1
1 330 . 20 1 1 A 66 66 SER CA C 66 56.340 59.246 -2.906 1
1 331 . 20 1 1 A 66 66 SER CB C 66 66.184 64.077 2.107 1
1 332 . 20 1 1 A 67 67 LEU H H 67 8.622 8.856 -0.234 1
1 333 . 20 1 1 A 67 67 LEU HA H 67 3.357 4.057 -0.700 1
1 343 . 20 1 1 A 67 67 LEU C C 67 178.779 178.499 0.280 1
1 344 . 20 1 1 A 67 67 LEU CA C 67 58.385 58.410 -0.025 1
1 345 . 20 1 1 A 67 67 LEU CB C 67 41.218 41.143 0.075 1
1 349 . 20 1 1 A 67 67 LEU N N 67 123.216 127.639 -4.423 1
1 350 . 20 1 1 A 68 68 ALA H H 68 7.987 8.165 -0.178 1
1 351 . 20 1 1 A 68 68 ALA HA H 68 3.766 4.072 -0.306 1
1 355 . 20 1 1 A 68 68 ALA C C 68 180.626 180.002 0.624 1
1 356 . 20 1 1 A 68 68 ALA CA C 68 55.431 54.828 0.603 1
1 357 . 20 1 1 A 68 68 ALA CB C 68 17.780 18.152 -0.372 1
1 358 . 20 1 1 A 68 68 ALA N N 68 119.912 119.962 -0.050 1
1 359 . 20 1 1 A 69 69 THR H H 69 7.781 7.915 -0.134 1
1 360 . 20 1 1 A 69 69 THR HA H 69 3.477 3.803 -0.326 1
1 365 . 20 1 1 A 69 69 THR C C 69 176.154 175.920 0.234 1
1 366 . 20 1 1 A 69 69 THR CA C 69 66.975 66.833 0.142 1
1 367 . 20 1 1 A 69 69 THR CB C 69 68.525 68.335 0.190 1
1 369 . 20 1 1 A 69 69 THR N N 69 118.256 114.469 3.787 1
1 370 . 20 1 1 A 70 70 VAL H H 70 7.373 7.806 -0.433 1
1 371 . 20 1 1 A 70 70 VAL HA H 70 3.201 3.613 -0.412 1
1 379 . 20 1 1 A 70 70 VAL C C 70 177.265 177.982 -0.717 1
1 380 . 20 1 1 A 70 70 VAL CA C 70 67.795 65.283 2.512 1
1 381 . 20 1 1 A 70 70 VAL CB C 70 31.342 31.486 -0.144 1
1 384 . 20 1 1 A 70 70 VAL N N 70 120.502 120.347 0.155 1
1 385 . 20 1 1 A 71 71 LYS H H 71 8.521 7.658 0.863 1
1 386 . 20 1 1 A 71 71 LYS HA H 71 3.659 3.884 -0.225 1
1 395 . 20 1 1 A 71 71 LYS C C 71 180.154 179.151 1.003 1
1 396 . 20 1 1 A 71 71 LYS CA C 71 61.155 59.694 1.461 1
1 397 . 20 1 1 A 71 71 LYS CB C 71 32.114 32.346 -0.232 1
1 401 . 20 1 1 A 71 71 LYS N N 71 118.966 122.006 -3.040 1
1 402 . 20 1 1 A 72 72 THR H H 72 8.160 7.550 0.610 1
1 403 . 20 1 1 A 72 72 THR HA H 72 3.747 4.005 -0.258 1
1 408 . 20 1 1 A 72 72 THR C C 72 177.209 176.565 0.644 1
1 409 . 20 1 1 A 72 72 THR CA C 72 66.978 65.284 1.694 1
1 410 . 20 1 1 A 72 72 THR CB C 72 68.268 68.692 -0.424 1
1 412 . 20 1 1 A 72 72 THR N N 72 119.017 113.819 5.198 1
1 413 . 20 1 1 A 73 73 LEU H H 73 7.753 7.902 -0.149 1
1 414 . 20 1 1 A 73 73 LEU HA H 73 3.682 4.033 -0.351 1
1 424 . 20 1 1 A 73 73 LEU C C 73 178.821 178.483 0.338 1
1 425 . 20 1 1 A 73 73 LEU CA C 73 58.671 57.915 0.756 1
1 426 . 20 1 1 A 73 73 LEU CB C 73 42.182 41.297 0.885 1
1 430 . 20 1 1 A 73 73 LEU N N 73 123.340 122.609 0.731 1
1 431 . 20 1 1 A 74 74 LEU H H 74 8.341 8.319 0.022 1
1 432 . 20 1 1 A 74 74 LEU HA H 74 3.551 3.871 -0.320 1
1 442 . 20 1 1 A 74 74 LEU C C 74 178.832 179.387 -0.555 1
1 443 . 20 1 1 A 74 74 LEU CA C 74 58.293 58.347 -0.054 1
1 444 . 20 1 1 A 74 74 LEU CB C 74 40.530 41.526 -0.996 1
1 448 . 20 1 1 A 74 74 LEU N N 74 118.538 118.905 -0.367 1
1 449 . 20 1 1 A 75 75 GLY H H 75 7.780 8.087 -0.307 1
1 450 . 20 1 1 A 75 75 GLY HA2 H 75 3.648 3.881 -0.233 1
1 451 . 20 1 1 A 75 75 GLY HA3 H 75 3.767 3.897 -0.130 1
1 452 . 20 1 1 A 75 75 GLY C C 75 177.626 176.514 1.112 1
1 453 . 20 1 1 A 75 75 GLY CA C 75 47.290 46.903 0.387 1
1 454 . 20 1 1 A 75 75 GLY N N 75 103.878 104.948 -1.070 1
1 455 . 20 1 1 A 76 76 ARG H H 76 7.637 8.115 -0.478 1
1 456 . 20 1 1 A 76 76 ARG HA H 76 3.908 4.020 -0.112 1
1 463 . 20 1 1 A 76 76 ARG C C 76 179.001 178.706 0.295 1
1 464 . 20 1 1 A 76 76 ARG CA C 76 59.378 59.134 0.244 1
1 465 . 20 1 1 A 76 76 ARG CB C 76 30.767 30.509 0.258 1
1 468 . 20 1 1 A 76 76 ARG N N 76 122.469 122.448 0.021 1
1 469 . 20 1 1 A 77 77 LEU H H 77 7.922 8.109 -0.187 1
1 470 . 20 1 1 A 77 77 LEU HA H 77 3.812 4.127 -0.315 1
1 480 . 20 1 1 A 77 77 LEU C C 77 179.835 179.647 0.188 1
1 481 . 20 1 1 A 77 77 LEU CA C 77 58.306 58.098 0.208 1
1 482 . 20 1 1 A 77 77 LEU CB C 77 42.365 41.988 0.377 1
1 486 . 20 1 1 A 77 77 LEU N N 77 120.640 120.162 0.478 1
1 487 . 20 1 1 A 78 78 VAL H H 78 8.287 8.178 0.109 1
1 488 . 20 1 1 A 78 78 VAL HA H 78 3.950 4.066 -0.116 1
1 496 . 20 1 1 A 78 78 VAL C C 78 181.099 178.320 2.779 1
1 497 . 20 1 1 A 78 78 VAL CA C 78 66.044 65.788 0.256 1
1 498 . 20 1 1 A 78 78 VAL CB C 78 32.287 31.578 0.709 1
1 501 . 20 1 1 A 78 78 VAL N N 78 121.179 113.852 7.327 1
1 502 . 20 1 1 A 79 79 LYS H H 79 7.836 7.477 0.359 1
1 503 . 20 1 1 A 79 79 LYS HA H 79 4.004 4.207 -0.203 1
1 512 . 20 1 1 A 79 79 LYS CA C 79 59.189 58.629 0.560 1
1 513 . 20 1 1 A 79 79 LYS CB C 79 29.238 32.261 -3.023 1
1 517 . 20 1 1 A 79 79 LYS N N 79 123.239 121.109 2.130 1
1 518 . 20 1 1 A 80 80 LYS HA H 80 4.179 4.395 -0.216 1
1 521 . 20 1 1 A 80 80 LYS CA C 80 57.269 55.812 1.457 1
1 522 . 20 1 1 A 80 80 LYS CB C 80 31.067 32.409 -1.342 1
1 523 . 20 1 1 A 81 81 GLU H H 81 7.801 7.915 -0.114 1
1 524 . 20 1 1 A 81 81 GLU HA H 81 4.513 4.133 0.380 1
1 527 . 20 1 1 A 81 81 GLU CA C 81 57.915 57.226 0.689 1
1 528 . 20 1 1 A 81 81 GLU CB C 81 26.150 26.859 -0.709 1
1 529 . 20 1 1 A 81 81 GLU N N 81 126.946 115.308 11.638 1
1 530 . 20 1 1 A 82 82 MET H H 82 7.978 7.813 0.165 1
1 531 . 20 1 1 A 82 82 MET HA H 82 3.781 4.405 -0.624 1
1 536 . 20 1 1 A 82 82 MET C C 82 176.695 176.178 0.517 1
1 537 . 20 1 1 A 82 82 MET CA C 82 57.599 58.458 -0.859 1
1 538 . 20 1 1 A 82 82 MET CB C 82 33.067 33.802 -0.735 1
1 540 . 20 1 1 A 82 82 MET N N 82 112.370 117.913 -5.543 1
1 541 . 20 1 1 A 83 83 LEU H H 83 6.928 7.619 -0.691 1
1 542 . 20 1 1 A 83 83 LEU HA H 83 5.042 4.988 0.054 1
1 548 . 20 1 1 A 83 83 LEU C C 83 175.376 175.404 -0.028 1
1 549 . 20 1 1 A 83 83 LEU CA C 83 52.193 53.030 -0.837 1
1 550 . 20 1 1 A 83 83 LEU CB C 83 48.040 46.128 1.912 1
1 553 . 20 1 1 A 83 83 LEU N N 83 116.646 117.314 -0.668 1
1 554 . 20 1 1 A 84 84 SER H H 84 9.089 8.771 0.318 1
1 555 . 20 1 1 A 84 84 SER HA H 84 4.711 5.346 -0.635 1
1 558 . 20 1 1 A 84 84 SER C C 84 173.496 173.214 0.282 1
1 559 . 20 1 1 A 84 84 SER CA C 84 56.311 57.655 -1.344 1
1 560 . 20 1 1 A 84 84 SER CB C 84 65.943 66.977 -1.034 1
1 561 . 20 1 1 A 84 84 SER N N 84 115.366 114.691 0.675 1
1 562 . 20 1 1 A 85 85 THR H H 85 8.091 8.712 -0.621 1
1 563 . 20 1 1 A 85 85 THR HA H 85 5.036 5.050 -0.014 1
1 568 . 20 1 1 A 85 85 THR C C 85 173.844 171.981 1.863 1
1 569 . 20 1 1 A 85 85 THR CA C 85 58.919 60.189 -1.270 1
1 570 . 20 1 1 A 85 85 THR CB C 85 71.518 71.200 0.318 1
1 572 . 20 1 1 A 85 85 THR N N 85 110.842 115.863 -5.021 1
1 573 . 20 1 1 A 86 86 GLU H H 86 8.128 8.675 -0.547 1
1 574 . 20 1 1 A 86 86 GLU HA H 86 4.413 4.963 -0.550 1
1 578 . 20 1 1 A 86 86 GLU C C 86 174.693 174.448 0.245 1
1 579 . 20 1 1 A 86 86 GLU CA C 86 54.405 54.490 -0.085 1
1 580 . 20 1 1 A 86 86 GLU CB C 86 33.099 34.072 -0.973 1
1 582 . 20 1 1 A 86 86 GLU N N 86 122.318 125.839 -3.521 1
1 583 . 20 1 1 A 87 87 LYS H H 87 8.622 8.574 0.048 1
1 584 . 20 1 1 A 87 87 LYS HA H 87 4.153 4.637 -0.484 1
1 593 . 20 1 1 A 87 87 LYS C C 87 175.909 174.943 0.966 1
1 594 . 20 1 1 A 87 87 LYS CA C 87 56.403 54.495 1.908 1
1 595 . 20 1 1 A 87 87 LYS CB C 87 32.960 34.177 -1.217 1
1 599 . 20 1 1 A 87 87 LYS N N 87 124.854 123.022 1.832 1
1 600 . 20 1 1 A 88 88 GLU HA H 88 4.276 4.715 -0.439 1
1 604 . 20 1 1 A 88 88 GLU C C 88 175.998 176.928 -0.930 1
1 605 . 20 1 1 A 88 88 GLU CA C 88 55.362 54.874 0.488 1
1 606 . 20 1 1 A 88 88 GLU CB C 88 30.945 33.343 -2.398 1
1 608 . 20 1 1 A 91 91 LYS H H 91 7.651 7.585 0.066 1
1 609 . 20 1 1 A 91 91 LYS HA H 91 4.456 4.844 -0.388 1
1 616 . 20 1 1 A 91 91 LYS C C 91 174.960 175.347 -0.387 1
1 617 . 20 1 1 A 91 91 LYS CA C 91 54.992 54.147 0.845 1
1 618 . 20 1 1 A 91 91 LYS CB C 91 34.855 36.898 -2.043 1
1 622 . 20 1 1 A 91 91 LYS N N 91 119.096 118.174 0.922 1
1 623 . 20 1 1 A 92 92 PHE H H 92 7.904 8.971 -1.067 1
1 624 . 20 1 1 A 92 92 PHE HA H 92 4.772 4.812 -0.040 1
1 631 . 20 1 1 A 92 92 PHE C C 92 175.183 174.725 0.458 1
1 632 . 20 1 1 A 92 92 PHE CA C 92 57.762 57.930 -0.168 1
1 633 . 20 1 1 A 92 92 PHE CB C 92 40.747 40.281 0.466 1
1 634 . 20 1 1 A 92 92 PHE N N 92 118.936 118.579 0.357 1
1 635 . 20 1 1 A 93 93 VAL H H 93 8.626 8.755 -0.129 1
1 636 . 20 1 1 A 93 93 VAL HA H 93 4.090 5.011 -0.921 1
1 644 . 20 1 1 A 93 93 VAL C C 93 174.856 172.662 2.194 1
1 645 . 20 1 1 A 93 93 VAL CA C 93 61.228 59.194 2.034 1
1 646 . 20 1 1 A 93 93 VAL CB C 93 33.595 34.816 -1.221 1
1 648 . 20 1 1 A 93 93 VAL N N 93 120.649 120.634 0.015 1
1 649 . 20 1 1 A 94 94 TYR H H 94 8.950 9.457 -0.507 1
1 650 . 20 1 1 A 94 94 TYR HA H 94 5.029 5.326 -0.297 1
1 657 . 20 1 1 A 94 94 TYR C C 94 175.242 175.260 -0.018 1
1 658 . 20 1 1 A 94 94 TYR CA C 94 57.619 56.530 1.089 1
1 659 . 20 1 1 A 94 94 TYR CB C 94 41.447 40.986 0.461 1
1 660 . 20 1 1 A 94 94 TYR N N 94 125.589 126.659 -1.070 1
1 661 . 20 1 1 A 95 95 ARG H H 95 8.275 8.996 -0.721 1
1 662 . 20 1 1 A 95 95 ARG HA H 95 5.001 5.029 -0.028 1
1 665 . 20 1 1 A 95 95 ARG CA C 95 53.055 53.558 -0.503 1
1 666 . 20 1 1 A 95 95 ARG N N 95 118.094 121.577 -3.483 1
1 670 . 20 1 1 A 96 96 PRO CA C 96 63.815 62.351 1.464 1
1 671 . 20 1 1 A 96 96 PRO CB C 96 33.778 32.717 1.061 1
1 673 . 20 1 1 A 97 97 LEU H H 97 7.862 8.382 -0.520 1
1 674 . 20 1 1 A 97 97 LEU HA H 97 4.054 4.471 -0.417 1
1 684 . 20 1 1 A 97 97 LEU CA C 97 55.208 54.811 0.397 1
1 685 . 20 1 1 A 97 97 LEU CB C 97 42.072 43.074 -1.002 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 43 0.899 1
2 1 1 1 "RMS(OBS, PRED)" CA 57 1.524 1
3 1 1 1 "RMS(OBS, PRED)" CB 53 1.291 1
4 1 1 1 "RMS(OBS, PRED)" H 48 0.614 1
5 1 1 1 "RMS(OBS, PRED)" HA 58 0.405 1
6 1 1 1 "RMS(OBS, PRED)" N 47 3.580 1
7 1 2 1 "RMS(OBS, PRED)" C 43 0.901 1
8 1 2 1 "RMS(OBS, PRED)" CA 57 1.536 1
9 1 2 1 "RMS(OBS, PRED)" CB 53 1.119 1
10 1 2 1 "RMS(OBS, PRED)" H 48 0.613 1
11 1 2 1 "RMS(OBS, PRED)" HA 58 0.400 1
12 1 2 1 "RMS(OBS, PRED)" N 47 3.450 1
13 1 3 1 "RMS(OBS, PRED)" C 43 0.944 1
14 1 3 1 "RMS(OBS, PRED)" CA 57 1.425 1
15 1 3 1 "RMS(OBS, PRED)" CB 53 1.454 1
16 1 3 1 "RMS(OBS, PRED)" H 48 0.587 1
17 1 3 1 "RMS(OBS, PRED)" HA 58 0.366 1
18 1 3 1 "RMS(OBS, PRED)" N 47 3.274 1
19 1 4 1 "RMS(OBS, PRED)" C 43 1.001 1
20 1 4 1 "RMS(OBS, PRED)" CA 57 1.443 1
21 1 4 1 "RMS(OBS, PRED)" CB 53 1.397 1
22 1 4 1 "RMS(OBS, PRED)" H 48 0.544 1
23 1 4 1 "RMS(OBS, PRED)" HA 58 0.424 1
24 1 4 1 "RMS(OBS, PRED)" N 47 3.460 1
25 1 5 1 "RMS(OBS, PRED)" C 43 0.891 1
26 1 5 1 "RMS(OBS, PRED)" CA 57 1.444 1
27 1 5 1 "RMS(OBS, PRED)" CB 53 1.246 1
28 1 5 1 "RMS(OBS, PRED)" H 48 0.567 1
29 1 5 1 "RMS(OBS, PRED)" HA 58 0.388 1
30 1 5 1 "RMS(OBS, PRED)" N 47 3.331 1
31 1 6 1 "RMS(OBS, PRED)" C 43 0.937 1
32 1 6 1 "RMS(OBS, PRED)" CA 57 1.473 1
33 1 6 1 "RMS(OBS, PRED)" CB 53 1.241 1
34 1 6 1 "RMS(OBS, PRED)" H 48 0.610 1
35 1 6 1 "RMS(OBS, PRED)" HA 58 0.409 1
36 1 6 1 "RMS(OBS, PRED)" N 47 3.498 1
37 1 7 1 "RMS(OBS, PRED)" C 43 0.984 1
38 1 7 1 "RMS(OBS, PRED)" CA 57 1.483 1
39 1 7 1 "RMS(OBS, PRED)" CB 53 1.317 1
40 1 7 1 "RMS(OBS, PRED)" H 48 0.600 1
41 1 7 1 "RMS(OBS, PRED)" HA 58 0.405 1
42 1 7 1 "RMS(OBS, PRED)" N 47 3.849 1
43 1 8 1 "RMS(OBS, PRED)" C 43 0.955 1
44 1 8 1 "RMS(OBS, PRED)" CA 57 1.430 1
45 1 8 1 "RMS(OBS, PRED)" CB 53 1.461 1
46 1 8 1 "RMS(OBS, PRED)" H 48 0.605 1
47 1 8 1 "RMS(OBS, PRED)" HA 58 0.362 1
48 1 8 1 "RMS(OBS, PRED)" N 47 3.384 1
49 1 9 1 "RMS(OBS, PRED)" C 43 0.927 1
50 1 9 1 "RMS(OBS, PRED)" CA 57 1.448 1
51 1 9 1 "RMS(OBS, PRED)" CB 53 1.537 1
52 1 9 1 "RMS(OBS, PRED)" H 48 0.557 1
53 1 9 1 "RMS(OBS, PRED)" HA 58 0.418 1
54 1 9 1 "RMS(OBS, PRED)" N 47 3.545 1
55 1 10 1 "RMS(OBS, PRED)" C 43 0.918 1
56 1 10 1 "RMS(OBS, PRED)" CA 57 1.491 1
57 1 10 1 "RMS(OBS, PRED)" CB 53 1.603 1
58 1 10 1 "RMS(OBS, PRED)" H 48 0.609 1
59 1 10 1 "RMS(OBS, PRED)" HA 58 0.399 1
60 1 10 1 "RMS(OBS, PRED)" N 47 3.392 1
61 1 11 1 "RMS(OBS, PRED)" C 43 0.914 1
62 1 11 1 "RMS(OBS, PRED)" CA 57 1.533 1
63 1 11 1 "RMS(OBS, PRED)" CB 53 1.259 1
64 1 11 1 "RMS(OBS, PRED)" H 48 0.575 1
65 1 11 1 "RMS(OBS, PRED)" HA 58 0.417 1
66 1 11 1 "RMS(OBS, PRED)" N 47 3.431 1
67 1 12 1 "RMS(OBS, PRED)" C 43 0.927 1
68 1 12 1 "RMS(OBS, PRED)" CA 57 1.531 1
69 1 12 1 "RMS(OBS, PRED)" CB 53 1.480 1
70 1 12 1 "RMS(OBS, PRED)" H 48 0.602 1
71 1 12 1 "RMS(OBS, PRED)" HA 58 0.437 1
72 1 12 1 "RMS(OBS, PRED)" N 47 3.353 1
73 1 13 1 "RMS(OBS, PRED)" C 43 1.002 1
74 1 13 1 "RMS(OBS, PRED)" CA 57 1.412 1
75 1 13 1 "RMS(OBS, PRED)" CB 53 1.402 1
76 1 13 1 "RMS(OBS, PRED)" H 48 0.601 1
77 1 13 1 "RMS(OBS, PRED)" HA 58 0.391 1
78 1 13 1 "RMS(OBS, PRED)" N 47 3.526 1
79 1 14 1 "RMS(OBS, PRED)" C 43 0.906 1
80 1 14 1 "RMS(OBS, PRED)" CA 57 1.570 1
81 1 14 1 "RMS(OBS, PRED)" CB 53 1.288 1
82 1 14 1 "RMS(OBS, PRED)" H 48 0.642 1
83 1 14 1 "RMS(OBS, PRED)" HA 58 0.413 1
84 1 14 1 "RMS(OBS, PRED)" N 47 3.841 1
85 1 15 1 "RMS(OBS, PRED)" C 43 0.991 1
86 1 15 1 "RMS(OBS, PRED)" CA 57 1.494 1
87 1 15 1 "RMS(OBS, PRED)" CB 53 1.461 1
88 1 15 1 "RMS(OBS, PRED)" H 48 0.589 1
89 1 15 1 "RMS(OBS, PRED)" HA 58 0.423 1
90 1 15 1 "RMS(OBS, PRED)" N 47 3.175 1
91 1 16 1 "RMS(OBS, PRED)" C 43 0.953 1
92 1 16 1 "RMS(OBS, PRED)" CA 57 1.453 1
93 1 16 1 "RMS(OBS, PRED)" CB 53 1.394 1
94 1 16 1 "RMS(OBS, PRED)" H 48 0.580 1
95 1 16 1 "RMS(OBS, PRED)" HA 58 0.399 1
96 1 16 1 "RMS(OBS, PRED)" N 47 3.455 1
97 1 17 1 "RMS(OBS, PRED)" C 43 0.979 1
98 1 17 1 "RMS(OBS, PRED)" CA 57 1.472 1
99 1 17 1 "RMS(OBS, PRED)" CB 53 1.229 1
100 1 17 1 "RMS(OBS, PRED)" H 48 0.635 1
101 1 17 1 "RMS(OBS, PRED)" HA 58 0.398 1
102 1 17 1 "RMS(OBS, PRED)" N 47 3.568 1
103 1 18 1 "RMS(OBS, PRED)" C 43 1.051 1
104 1 18 1 "RMS(OBS, PRED)" CA 57 1.387 1
105 1 18 1 "RMS(OBS, PRED)" CB 53 1.122 1
106 1 18 1 "RMS(OBS, PRED)" H 48 0.598 1
107 1 18 1 "RMS(OBS, PRED)" HA 58 0.401 1
108 1 18 1 "RMS(OBS, PRED)" N 47 4.025 1
109 1 19 1 "RMS(OBS, PRED)" C 43 0.922 1
110 1 19 1 "RMS(OBS, PRED)" CA 57 1.429 1
111 1 19 1 "RMS(OBS, PRED)" CB 53 1.162 1
112 1 19 1 "RMS(OBS, PRED)" H 48 0.570 1
113 1 19 1 "RMS(OBS, PRED)" HA 58 0.443 1
114 1 19 1 "RMS(OBS, PRED)" N 47 3.575 1
115 1 20 1 "RMS(OBS, PRED)" C 43 1.037 1
116 1 20 1 "RMS(OBS, PRED)" CA 57 1.553 1
117 1 20 1 "RMS(OBS, PRED)" CB 53 1.135 1
118 1 20 1 "RMS(OBS, PRED)" H 48 0.553 1
119 1 20 1 "RMS(OBS, PRED)" HA 58 0.382 1
120 1 20 1 "RMS(OBS, PRED)" N 47 3.585 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 1 . 1 1 A 36 36 ALA HA H 36 4.250 4.278 -0.028 2
1 5 . 1 1 A 36 36 ALA CA C 36 55.550 54.735 0.815 2
1 6 . 1 1 A 36 36 ALA CB C 36 19.203 18.909 0.294 2
1 7 . 1 1 A 39 39 ILE HA H 39 4.250 3.686 0.564 2
1 17 . 1 1 A 39 39 ILE CA C 39 58.724 65.032 -6.308 2
1 18 . 1 1 A 39 39 ILE CB C 39 38.496 37.711 0.785 2
1 22 . 1 1 A 40 40 VAL HA H 40 3.198 3.992 -0.794 2
1 30 . 1 1 A 40 40 VAL CA C 40 67.086 65.012 2.074 2
1 31 . 1 1 A 40 40 VAL CB C 40 30.969 31.429 -0.460 2
1 34 . 1 1 A 42 42 ARG HA H 42 3.770 4.536 -0.766 2
1 35 . 1 1 A 42 42 ARG CA C 42 55.107 57.763 -2.656 2
1 36 . 1 1 A 43 43 VAL H H 43 7.364 7.983 -0.619 2
1 37 . 1 1 A 43 43 VAL HA H 43 3.506 3.815 -0.309 2
1 45 . 1 1 A 43 43 VAL C C 43 178.600 178.182 0.418 2
1 46 . 1 1 A 43 43 VAL CA C 43 66.598 65.565 1.033 2
1 47 . 1 1 A 43 43 VAL CB C 43 31.203 31.657 -0.454 2
1 50 . 1 1 A 43 43 VAL N N 43 119.765 118.440 1.325 2
1 51 . 1 1 A 44 44 ILE H H 44 7.829 8.060 -0.231 2
1 52 . 1 1 A 44 44 ILE HA H 44 3.242 3.761 -0.519 2
1 62 . 1 1 A 44 44 ILE C C 44 178.289 178.412 -0.123 2
1 63 . 1 1 A 44 44 ILE CA C 44 66.146 64.791 1.355 2
1 64 . 1 1 A 44 44 ILE CB C 44 36.869 37.373 -0.504 2
1 68 . 1 1 A 44 44 ILE N N 44 120.991 121.286 -0.295 2
1 69 . 1 1 A 45 45 TRP H H 45 9.154 8.183 0.971 2
1 70 . 1 1 A 45 45 TRP HA H 45 4.377 4.136 0.241 2
1 77 . 1 1 A 45 45 TRP C C 45 179.154 178.923 0.230 2
1 78 . 1 1 A 45 45 TRP CA C 45 60.749 61.109 -0.360 2
1 79 . 1 1 A 45 45 TRP CB C 45 28.620 29.689 -1.069 2
1 80 . 1 1 A 45 45 TRP N N 45 119.877 122.904 -3.027 2
1 82 . 1 1 A 46 46 SER H H 46 7.556 7.852 -0.296 2
1 83 . 1 1 A 46 46 SER HA H 46 4.247 4.116 0.131 2
1 86 . 1 1 A 46 46 SER C C 46 175.737 177.211 -1.474 2
1 87 . 1 1 A 46 46 SER CA C 46 61.315 61.114 0.201 2
1 88 . 1 1 A 46 46 SER CB C 46 63.510 62.827 0.683 2
1 89 . 1 1 A 46 46 SER N N 46 113.170 114.507 -1.337 2
1 90 . 1 1 A 47 47 LEU H H 47 7.667 7.583 0.084 2
1 91 . 1 1 A 47 47 LEU HA H 47 4.274 4.110 0.164 2
1 101 . 1 1 A 47 47 LEU C C 47 178.987 176.784 2.203 2
1 102 . 1 1 A 47 47 LEU CA C 47 55.835 56.725 -0.890 2
1 103 . 1 1 A 47 47 LEU CB C 47 43.548 42.838 0.710 2
1 107 . 1 1 A 47 47 LEU N N 47 120.838 121.096 -0.258 2
1 108 . 1 1 A 48 48 GLY H H 48 8.656 8.065 0.591 2
1 109 . 1 1 A 48 48 GLY HA2 H 48 4.373 3.933 0.440 2
1 110 . 1 1 A 48 48 GLY HA3 H 48 3.296 3.974 -0.678 2
1 111 . 1 1 A 48 48 GLY C C 48 173.625 173.469 0.156 2
1 112 . 1 1 A 48 48 GLY CA C 48 46.944 45.454 1.490 2
1 113 . 1 1 A 48 48 GLY N N 48 113.217 106.705 6.512 2
1 114 . 1 1 A 49 49 GLU H H 49 7.347 7.944 -0.597 2
1 115 . 1 1 A 49 49 GLU HA H 49 4.830 4.974 -0.144 2
1 120 . 1 1 A 49 49 GLU C C 49 174.973 174.624 0.349 2
1 121 . 1 1 A 49 49 GLU CA C 49 55.026 55.009 0.017 2
1 122 . 1 1 A 49 49 GLU CB C 49 31.947 32.783 -0.836 2
1 124 . 1 1 A 49 49 GLU N N 49 116.219 119.150 -2.931 2
1 125 . 1 1 A 50 50 ALA H H 50 8.598 8.752 -0.154 2
1 126 . 1 1 A 50 50 ALA HA H 50 4.817 5.232 -0.415 2
1 130 . 1 1 A 50 50 ALA C C 50 176.042 176.412 -0.370 2
1 131 . 1 1 A 50 50 ALA CA C 50 52.189 50.620 1.569 2
1 132 . 1 1 A 50 50 ALA CB C 50 24.738 22.839 1.899 2
1 133 . 1 1 A 50 50 ALA N N 50 122.121 125.667 -3.546 2
1 134 . 1 1 A 51 51 ARG H H 51 8.935 8.868 0.067 2
1 135 . 1 1 A 51 51 ARG HA H 51 5.098 4.856 0.242 2
1 142 . 1 1 A 51 51 ARG C C 51 178.696 177.743 0.953 2
1 143 . 1 1 A 51 51 ARG CA C 51 54.995 55.447 -0.452 2
1 144 . 1 1 A 51 51 ARG CB C 51 32.605 31.323 1.282 2
1 147 . 1 1 A 51 51 ARG N N 51 121.019 121.140 -0.121 2
1 148 . 1 1 A 52 52 VAL H H 52 9.767 8.631 1.136 2
1 149 . 1 1 A 52 52 VAL HA H 52 3.494 3.941 -0.447 2
1 157 . 1 1 A 52 52 VAL C C 52 176.292 177.226 -0.934 2
1 158 . 1 1 A 52 52 VAL CA C 52 67.295 65.359 1.936 2
1 159 . 1 1 A 52 52 VAL CB C 52 31.427 31.837 -0.410 2
1 162 . 1 1 A 52 52 VAL N N 52 121.483 123.106 -1.623 2
1 163 . 1 1 A 53 53 ASP H H 53 8.640 8.572 0.068 2
1 164 . 1 1 A 53 53 ASP HA H 53 4.199 4.503 -0.304 2
1 167 . 1 1 A 53 53 ASP C C 53 178.904 178.584 0.320 2
1 168 . 1 1 A 53 53 ASP CA C 53 56.797 56.694 0.103 2
1 169 . 1 1 A 53 53 ASP CB C 53 39.068 40.189 -1.121 2
1 170 . 1 1 A 53 53 ASP N N 53 116.987 121.074 -4.087 2
1 171 . 1 1 A 54 54 GLU H H 54 7.028 8.008 -0.981 2
1 172 . 1 1 A 54 54 GLU HA H 54 4.017 4.172 -0.155 2
1 176 . 1 1 A 54 54 GLU C C 54 178.696 179.023 -0.327 2
1 177 . 1 1 A 54 54 GLU CA C 54 58.261 58.932 -0.671 2
1 178 . 1 1 A 54 54 GLU CB C 54 30.742 29.805 0.937 2
1 180 . 1 1 A 54 54 GLU N N 54 119.862 119.636 0.226 2
1 181 . 1 1 A 55 55 ILE H H 55 7.639 8.027 -0.388 2
1 182 . 1 1 A 55 55 ILE HA H 55 3.345 3.854 -0.509 2
1 192 . 1 1 A 55 55 ILE C C 55 177.945 177.636 0.309 2
1 193 . 1 1 A 55 55 ILE CA C 55 64.533 64.473 0.060 2
1 194 . 1 1 A 55 55 ILE CB C 55 38.824 37.637 1.187 2
1 198 . 1 1 A 55 55 ILE N N 55 118.743 119.205 -0.462 2
1 199 . 1 1 A 56 56 TYR H H 56 8.548 8.112 0.436 2
1 200 . 1 1 A 56 56 TYR HA H 56 4.028 4.122 -0.094 2
1 207 . 1 1 A 56 56 TYR C C 56 177.279 178.125 -0.845 2
1 208 . 1 1 A 56 56 TYR CA C 56 61.046 62.138 -1.092 2
1 209 . 1 1 A 56 56 TYR CB C 56 38.746 38.582 0.164 2
1 210 . 1 1 A 56 56 TYR N N 56 117.394 124.219 -6.824 2
1 211 . 1 1 A 57 57 ALA H H 57 7.305 8.156 -0.851 2
1 212 . 1 1 A 57 57 ALA HA H 57 3.891 3.965 -0.074 2
1 216 . 1 1 A 57 57 ALA C C 57 178.515 178.761 -0.246 2
1 217 . 1 1 A 57 57 ALA CA C 57 53.867 54.649 -0.782 2
1 218 . 1 1 A 57 57 ALA CB C 57 18.567 18.234 0.333 2
1 219 . 1 1 A 57 57 ALA N N 57 116.845 121.398 -4.553 2
1 220 . 1 1 A 58 58 GLN H H 58 7.182 7.554 -0.372 2
1 221 . 1 1 A 58 58 GLN HA H 58 4.182 4.310 -0.128 2
1 228 . 1 1 A 58 58 GLN C C 58 176.015 175.113 0.901 2
1 229 . 1 1 A 58 58 GLN CA C 58 54.679 56.434 -1.755 2
1 230 . 1 1 A 58 58 GLN CB C 58 29.584 29.267 0.317 2
1 232 . 1 1 A 58 58 GLN N N 58 113.228 114.470 -1.242 2
1 234 . 1 1 A 59 59 ILE H H 59 7.051 7.503 -0.452 2
1 235 . 1 1 A 59 59 ILE HA H 59 3.829 4.204 -0.375 2
1 245 . 1 1 A 59 59 ILE CA C 59 57.557 58.050 -0.493 2
1 246 . 1 1 A 59 59 ILE CB C 59 36.090 38.343 -2.253 2
1 250 . 1 1 A 59 59 ILE N N 59 121.926 121.130 0.796 2
1 251 . 1 1 A 60 60 PRO HA H 60 4.049 4.604 -0.554 2
1 258 . 1 1 A 60 60 PRO CA C 60 63.775 62.348 1.427 2
1 259 . 1 1 A 60 60 PRO CB C 60 32.050 32.676 -0.626 2
1 262 . 1 1 A 61 61 GLN H H 61 8.772 8.545 0.227 2
1 263 . 1 1 A 61 61 GLN HA H 61 3.772 4.034 -0.262 2
1 270 . 1 1 A 61 61 GLN C C 61 178.654 177.590 1.064 2
1 271 . 1 1 A 61 61 GLN CA C 61 58.761 58.272 0.489 2
1 272 . 1 1 A 61 61 GLN CB C 61 28.318 28.310 0.008 2
1 274 . 1 1 A 61 61 GLN N N 61 126.284 120.825 5.459 2
1 276 . 1 1 A 62 62 GLU H H 62 9.471 8.112 1.359 2
1 277 . 1 1 A 62 62 GLU HA H 62 3.971 4.046 -0.075 2
1 282 . 1 1 A 62 62 GLU C C 62 177.376 177.979 -0.603 2
1 283 . 1 1 A 62 62 GLU CA C 62 58.072 58.844 -0.772 2
1 284 . 1 1 A 62 62 GLU CB C 62 28.164 29.406 -1.242 2
1 286 . 1 1 A 62 62 GLU N N 62 118.102 119.270 -1.168 2
1 287 . 1 1 A 63 63 LEU H H 63 6.792 7.385 -0.593 2
1 288 . 1 1 A 63 63 LEU HA H 63 3.717 4.097 -0.380 2
1 298 . 1 1 A 63 63 LEU C C 63 176.570 176.259 0.311 2
1 299 . 1 1 A 63 63 LEU CA C 63 56.173 55.131 1.042 2
1 300 . 1 1 A 63 63 LEU CB C 63 39.610 42.016 -2.406 2
1 304 . 1 1 A 63 63 LEU N N 63 118.573 118.278 0.295 2
1 305 . 1 1 A 64 64 GLU H H 64 7.589 7.825 -0.236 2
1 306 . 1 1 A 64 64 GLU HA H 64 3.782 4.047 -0.265 2
1 311 . 1 1 A 64 64 GLU C C 64 176.723 175.738 0.985 2
1 312 . 1 1 A 64 64 GLU CA C 64 57.031 57.639 -0.608 2
1 313 . 1 1 A 64 64 GLU CB C 64 26.951 27.831 -0.880 2
1 315 . 1 1 A 64 64 GLU N N 64 112.960 115.542 -2.582 2
1 316 . 1 1 A 65 65 TRP H H 65 8.340 7.862 0.478 2
1 317 . 1 1 A 65 65 TRP HA H 65 5.097 4.761 0.336 2
1 323 . 1 1 A 65 65 TRP CA C 65 54.697 57.385 -2.688 2
1 324 . 1 1 A 65 65 TRP CB C 65 30.450 30.297 0.153 2
1 325 . 1 1 A 65 65 TRP N N 65 119.866 121.313 -1.447 2
1 327 . 1 1 A 66 66 SER HA H 66 4.700 4.828 -0.128 2
1 330 . 1 1 A 66 66 SER CA C 66 56.340 57.570 -1.230 2
1 331 . 1 1 A 66 66 SER CB C 66 66.184 65.029 1.155 2
1 332 . 1 1 A 67 67 LEU H H 67 8.622 8.662 -0.040 2
1 333 . 1 1 A 67 67 LEU HA H 67 3.357 3.550 -0.193 2
1 343 . 1 1 A 67 67 LEU C C 67 178.779 178.430 0.349 2
1 344 . 1 1 A 67 67 LEU CA C 67 58.385 58.077 0.309 2
1 345 . 1 1 A 67 67 LEU CB C 67 41.218 41.032 0.186 2
1 349 . 1 1 A 67 67 LEU N N 67 123.216 126.847 -3.631 2
1 350 . 1 1 A 68 68 ALA H H 68 7.987 8.079 -0.092 2
1 351 . 1 1 A 68 68 ALA HA H 68 3.766 3.984 -0.218 2
1 355 . 1 1 A 68 68 ALA C C 68 180.626 179.927 0.699 2
1 356 . 1 1 A 68 68 ALA CA C 68 55.431 54.961 0.470 2
1 357 . 1 1 A 68 68 ALA CB C 68 17.780 18.095 -0.315 2
1 358 . 1 1 A 68 68 ALA N N 68 119.912 120.924 -1.012 2
1 359 . 1 1 A 69 69 THR H H 69 7.781 7.915 -0.134 2
1 360 . 1 1 A 69 69 THR HA H 69 3.477 3.763 -0.286 2
1 365 . 1 1 A 69 69 THR C C 69 176.154 175.989 0.165 2
1 366 . 1 1 A 69 69 THR CA C 69 66.975 66.890 0.085 2
1 367 . 1 1 A 69 69 THR CB C 69 68.525 68.337 0.188 2
1 369 . 1 1 A 69 69 THR N N 69 118.256 114.884 3.372 2
1 370 . 1 1 A 70 70 VAL H H 70 7.373 8.059 -0.686 2
1 371 . 1 1 A 70 70 VAL HA H 70 3.201 3.699 -0.498 2
1 379 . 1 1 A 70 70 VAL C C 70 177.265 177.795 -0.530 2
1 380 . 1 1 A 70 70 VAL CA C 70 67.795 65.244 2.551 2
1 381 . 1 1 A 70 70 VAL CB C 70 31.342 31.328 0.014 2
1 384 . 1 1 A 70 70 VAL N N 70 120.502 120.286 0.216 2
1 385 . 1 1 A 71 71 LYS H H 71 8.521 7.503 1.018 2
1 386 . 1 1 A 71 71 LYS HA H 71 3.659 3.881 -0.222 2
1 395 . 1 1 A 71 71 LYS C C 71 180.154 179.276 0.878 2
1 396 . 1 1 A 71 71 LYS CA C 71 61.155 59.470 1.685 2
1 397 . 1 1 A 71 71 LYS CB C 71 32.114 32.284 -0.170 2
1 401 . 1 1 A 71 71 LYS N N 71 118.966 122.230 -3.264 2
1 402 . 1 1 A 72 72 THR H H 72 8.160 7.642 0.518 2
1 403 . 1 1 A 72 72 THR HA H 72 3.747 3.996 -0.249 2
1 408 . 1 1 A 72 72 THR C C 72 177.209 176.568 0.641 2
1 409 . 1 1 A 72 72 THR CA C 72 66.978 65.320 1.658 2
1 410 . 1 1 A 72 72 THR CB C 72 68.268 68.598 -0.330 2
1 412 . 1 1 A 72 72 THR N N 72 119.017 114.021 4.996 2
1 413 . 1 1 A 73 73 LEU H H 73 7.753 7.976 -0.223 2
1 414 . 1 1 A 73 73 LEU HA H 73 3.682 4.072 -0.390 2
1 424 . 1 1 A 73 73 LEU C C 73 178.821 178.503 0.318 2
1 425 . 1 1 A 73 73 LEU CA C 73 58.671 57.987 0.684 2
1 426 . 1 1 A 73 73 LEU CB C 73 42.182 41.583 0.599 2
1 430 . 1 1 A 73 73 LEU N N 73 123.340 122.638 0.702 2
1 431 . 1 1 A 74 74 LEU H H 74 8.341 8.555 -0.214 2
1 432 . 1 1 A 74 74 LEU HA H 74 3.551 3.894 -0.343 2
1 442 . 1 1 A 74 74 LEU C C 74 178.832 179.296 -0.464 2
1 443 . 1 1 A 74 74 LEU CA C 74 58.293 58.350 -0.057 2
1 444 . 1 1 A 74 74 LEU CB C 74 40.530 41.409 -0.879 2
1 448 . 1 1 A 74 74 LEU N N 74 118.538 119.284 -0.746 2
1 449 . 1 1 A 75 75 GLY H H 75 7.780 7.950 -0.170 2
1 450 . 1 1 A 75 75 GLY HA2 H 75 3.648 3.890 -0.242 2
1 451 . 1 1 A 75 75 GLY HA3 H 75 3.767 3.918 -0.151 2
1 452 . 1 1 A 75 75 GLY C C 75 177.626 176.505 1.121 2
1 453 . 1 1 A 75 75 GLY CA C 75 47.290 46.918 0.372 2
1 454 . 1 1 A 75 75 GLY N N 75 103.878 105.132 -1.254 2
1 455 . 1 1 A 76 76 ARG H H 76 7.637 8.054 -0.417 2
1 456 . 1 1 A 76 76 ARG HA H 76 3.908 4.060 -0.152 2
1 463 . 1 1 A 76 76 ARG C C 76 179.001 178.673 0.328 2
1 464 . 1 1 A 76 76 ARG CA C 76 59.378 59.051 0.327 2
1 465 . 1 1 A 76 76 ARG CB C 76 30.767 30.255 0.512 2
1 468 . 1 1 A 76 76 ARG N N 76 122.469 122.437 0.032 2
1 469 . 1 1 A 77 77 LEU H H 77 7.922 8.078 -0.156 2
1 470 . 1 1 A 77 77 LEU HA H 77 3.812 4.115 -0.303 2
1 480 . 1 1 A 77 77 LEU C C 77 179.835 179.553 0.282 2
1 481 . 1 1 A 77 77 LEU CA C 77 58.306 58.127 0.179 2
1 482 . 1 1 A 77 77 LEU CB C 77 42.365 41.885 0.480 2
1 486 . 1 1 A 77 77 LEU N N 77 120.640 120.326 0.314 2
1 487 . 1 1 A 78 78 VAL H H 78 8.287 8.216 0.071 2
1 488 . 1 1 A 78 78 VAL HA H 78 3.950 4.040 -0.090 2
1 496 . 1 1 A 78 78 VAL C C 78 181.099 177.958 3.141 2
1 497 . 1 1 A 78 78 VAL CA C 78 66.044 65.757 0.287 2
1 498 . 1 1 A 78 78 VAL CB C 78 32.287 31.445 0.842 2
1 501 . 1 1 A 78 78 VAL N N 78 121.179 114.263 6.917 2
1 502 . 1 1 A 79 79 LYS H H 79 7.836 7.812 0.024 2
1 503 . 1 1 A 79 79 LYS HA H 79 4.004 4.164 -0.160 2
1 512 . 1 1 A 79 79 LYS CA C 79 59.189 58.838 0.351 2
1 513 . 1 1 A 79 79 LYS CB C 79 29.238 32.331 -3.093 2
1 517 . 1 1 A 79 79 LYS N N 79 123.239 121.145 2.094 2
1 518 . 1 1 A 80 80 LYS HA H 80 4.179 4.421 -0.242 2
1 521 . 1 1 A 80 80 LYS CA C 80 57.269 56.216 1.053 2
1 522 . 1 1 A 80 80 LYS CB C 80 31.067 32.767 -1.700 2
1 523 . 1 1 A 81 81 GLU H H 81 7.801 8.044 -0.243 2
1 524 . 1 1 A 81 81 GLU HA H 81 4.513 4.297 0.216 2
1 527 . 1 1 A 81 81 GLU CA C 81 57.915 56.875 1.040 2
1 528 . 1 1 A 81 81 GLU CB C 81 26.150 29.079 -2.929 2
1 529 . 1 1 A 81 81 GLU N N 81 126.946 117.359 9.587 2
1 530 . 1 1 A 82 82 MET H H 82 7.978 8.043 -0.065 2
1 531 . 1 1 A 82 82 MET HA H 82 3.781 4.425 -0.644 2
1 536 . 1 1 A 82 82 MET C C 82 176.695 176.017 0.678 2
1 537 . 1 1 A 82 82 MET CA C 82 57.599 57.970 -0.371 2
1 538 . 1 1 A 82 82 MET CB C 82 33.067 33.901 -0.834 2
1 540 . 1 1 A 82 82 MET N N 82 112.370 118.540 -6.170 2
1 541 . 1 1 A 83 83 LEU H H 83 6.928 7.721 -0.793 2
1 542 . 1 1 A 83 83 LEU HA H 83 5.042 4.891 0.151 2
1 548 . 1 1 A 83 83 LEU C C 83 175.376 175.162 0.214 2
1 549 . 1 1 A 83 83 LEU CA C 83 52.193 53.359 -1.166 2
1 550 . 1 1 A 83 83 LEU CB C 83 48.040 45.571 2.469 2
1 553 . 1 1 A 83 83 LEU N N 83 116.646 116.918 -0.272 2
1 554 . 1 1 A 84 84 SER H H 84 9.089 8.674 0.415 2
1 555 . 1 1 A 84 84 SER HA H 84 4.711 5.390 -0.679 2
1 558 . 1 1 A 84 84 SER C C 84 173.496 173.213 0.283 2
1 559 . 1 1 A 84 84 SER CA C 84 56.311 57.461 -1.150 2
1 560 . 1 1 A 84 84 SER CB C 84 65.943 66.900 -0.957 2
1 561 . 1 1 A 84 84 SER N N 84 115.366 115.733 -0.367 2
1 562 . 1 1 A 85 85 THR H H 85 8.091 8.722 -0.631 2
1 563 . 1 1 A 85 85 THR HA H 85 5.036 5.094 -0.058 2
1 568 . 1 1 A 85 85 THR C C 85 173.844 172.006 1.838 2
1 569 . 1 1 A 85 85 THR CA C 85 58.919 60.062 -1.143 2
1 570 . 1 1 A 85 85 THR CB C 85 71.518 71.186 0.332 2
1 572 . 1 1 A 85 85 THR N N 85 110.842 115.814 -4.972 2
1 573 . 1 1 A 86 86 GLU H H 86 8.128 8.866 -0.738 2
1 574 . 1 1 A 86 86 GLU HA H 86 4.413 4.990 -0.577 2
1 578 . 1 1 A 86 86 GLU C C 86 174.693 174.373 0.320 2
1 579 . 1 1 A 86 86 GLU CA C 86 54.405 54.465 -0.060 2
1 580 . 1 1 A 86 86 GLU CB C 86 33.099 33.843 -0.744 2
1 582 . 1 1 A 86 86 GLU N N 86 122.318 125.769 -3.451 2
1 583 . 1 1 A 87 87 LYS H H 87 8.622 8.445 0.176 2
1 584 . 1 1 A 87 87 LYS HA H 87 4.153 4.298 -0.145 2
1 593 . 1 1 A 87 87 LYS C C 87 175.909 174.928 0.981 2
1 594 . 1 1 A 87 87 LYS CA C 87 56.403 55.068 1.335 2
1 595 . 1 1 A 87 87 LYS CB C 87 32.960 33.883 -0.923 2
1 599 . 1 1 A 87 87 LYS N N 87 124.854 122.564 2.290 2
1 600 . 1 1 A 88 88 GLU HA H 88 4.276 4.572 -0.296 2
1 604 . 1 1 A 88 88 GLU C C 88 175.998 176.516 -0.518 2
1 605 . 1 1 A 88 88 GLU CA C 88 55.362 55.163 0.199 2
1 606 . 1 1 A 88 88 GLU CB C 88 30.945 31.971 -1.026 2
1 608 . 1 1 A 91 91 LYS H H 91 7.651 7.546 0.105 2
1 609 . 1 1 A 91 91 LYS HA H 91 4.456 4.713 -0.257 2
1 616 . 1 1 A 91 91 LYS C C 91 174.960 175.215 -0.255 2
1 617 . 1 1 A 91 91 LYS CA C 91 54.992 54.882 0.110 2
1 618 . 1 1 A 91 91 LYS CB C 91 34.855 35.275 -0.420 2
1 622 . 1 1 A 91 91 LYS N N 91 119.096 119.032 0.064 2
1 623 . 1 1 A 92 92 PHE H H 92 7.904 8.919 -1.015 2
1 624 . 1 1 A 92 92 PHE HA H 92 4.772 5.138 -0.366 2
1 631 . 1 1 A 92 92 PHE C C 92 175.183 175.055 0.128 2
1 632 . 1 1 A 92 92 PHE CA C 92 57.762 57.025 0.737 2
1 633 . 1 1 A 92 92 PHE CB C 92 40.747 41.751 -1.004 2
1 634 . 1 1 A 92 92 PHE N N 92 118.936 119.707 -0.771 2
1 635 . 1 1 A 93 93 VAL H H 93 8.626 9.066 -0.440 2
1 636 . 1 1 A 93 93 VAL HA H 93 4.090 4.932 -0.842 2
1 644 . 1 1 A 93 93 VAL C C 93 174.856 174.327 0.529 2
1 645 . 1 1 A 93 93 VAL CA C 93 61.228 61.256 -0.028 2
1 646 . 1 1 A 93 93 VAL CB C 93 33.595 34.096 -0.501 2
1 648 . 1 1 A 93 93 VAL N N 93 120.649 120.833 -0.184 2
1 649 . 1 1 A 94 94 TYR H H 94 8.950 9.461 -0.511 2
1 650 . 1 1 A 94 94 TYR HA H 94 5.029 5.276 -0.247 2
1 657 . 1 1 A 94 94 TYR C C 94 175.242 175.416 -0.174 2
1 658 . 1 1 A 94 94 TYR CA C 94 57.619 56.904 0.715 2
1 659 . 1 1 A 94 94 TYR CB C 94 41.447 40.186 1.261 2
1 660 . 1 1 A 94 94 TYR N N 94 125.589 126.681 -1.092 2
1 661 . 1 1 A 95 95 ARG H H 95 8.275 8.987 -0.712 2
1 662 . 1 1 A 95 95 ARG HA H 95 5.001 5.011 -0.010 2
1 665 . 1 1 A 95 95 ARG CA C 95 53.055 53.540 -0.485 2
1 666 . 1 1 A 95 95 ARG N N 95 118.094 122.195 -4.101 2
1 670 . 1 1 A 96 96 PRO CA C 96 63.815 62.581 1.234 2
1 671 . 1 1 A 96 96 PRO CB C 96 33.778 32.615 1.163 2
1 673 . 1 1 A 97 97 LEU H H 97 7.862 8.435 -0.573 2
1 674 . 1 1 A 97 97 LEU HA H 97 4.054 4.638 -0.584 2
1 684 . 1 1 A 97 97 LEU CA C 97 55.208 54.196 1.012 2
1 685 . 1 1 A 97 97 LEU CB C 97 42.072 43.595 -1.523 2
stop_
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