data_10283_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10283
_Entry.PDB_ID 2DA1
_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 7 7 GLY H H 7 8.499 8.659 -0.160 1
1 2 . 1 1 1 A 7 7 GLY HA2 H 7 3.948 4.270 -0.322 1
1 3 . 1 1 1 A 7 7 GLY HA3 H 7 3.948 4.271 -0.323 1
1 4 . 1 1 1 A 7 7 GLY C C 7 173.949 174.245 -0.296 1
1 5 . 1 1 1 A 7 7 GLY CA C 7 45.325 45.010 0.315 1
1 6 . 1 1 1 A 8 8 LYS H H 8 8.116 8.648 -0.532 1
1 7 . 1 1 1 A 8 8 LYS HA H 8 4.308 4.509 -0.201 1
1 14 . 1 1 1 A 8 8 LYS C C 8 176.504 176.639 -0.135 1
1 15 . 1 1 1 A 8 8 LYS CA C 8 56.113 56.951 -0.838 1
1 16 . 1 1 1 A 8 8 LYS CB C 8 33.151 34.696 -1.545 1
1 20 . 1 1 1 A 8 8 LYS N N 8 120.734 124.259 -3.525 1
1 21 . 1 1 1 A 9 9 ARG H H 9 8.362 7.848 0.514 1
1 22 . 1 1 1 A 9 9 ARG HA H 9 4.590 4.451 0.139 1
1 27 . 1 1 1 A 9 9 ARG C C 9 176.479 174.397 2.082 1
1 28 . 1 1 1 A 9 9 ARG CA C 9 53.962 54.581 -0.619 1
1 29 . 1 1 1 A 9 9 ARG CB C 9 30.103 29.653 0.450 1
1 32 . 1 1 1 A 9 9 ARG N N 9 123.609 119.466 4.143 1
1 33 . 1 1 1 A 10 10 PRO HA H 10 4.419 4.478 -0.059 1
1 39 . 1 1 1 A 10 10 PRO C C 10 176.796 177.309 -0.513 1
1 40 . 1 1 1 A 10 10 PRO CA C 10 62.987 62.384 0.603 1
1 41 . 1 1 1 A 10 10 PRO CB C 10 32.080 33.040 -0.960 1
1 44 . 1 1 1 A 11 11 ARG H H 11 8.517 8.600 -0.083 1
1 45 . 1 1 1 A 11 11 ARG C C 11 176.551 176.829 -0.278 1
1 46 . 1 1 1 A 11 11 ARG CA C 11 56.077 59.400 -3.323 1
1 47 . 1 1 1 A 11 11 ARG CB C 11 30.762 30.112 0.650 1
1 48 . 1 1 1 A 11 11 ARG N N 11 121.931 120.707 1.224 1
1 49 . 1 1 1 A 12 12 THR HA H 12 4.260 4.211 0.049 1
1 54 . 1 1 1 A 12 12 THR C C 12 173.904 173.802 0.102 1
1 55 . 1 1 1 A 12 12 THR CA C 12 62.218 62.481 -0.263 1
1 56 . 1 1 1 A 12 12 THR CB C 12 69.843 69.670 0.173 1
1 58 . 1 1 1 A 13 13 ARG H H 13 8.434 8.533 -0.099 1
1 59 . 1 1 1 A 13 13 ARG HA H 13 4.381 4.660 -0.279 1
1 65 . 1 1 1 A 13 13 ARG C C 13 175.336 174.242 1.094 1
1 66 . 1 1 1 A 13 13 ARG CA C 13 55.972 55.451 0.521 1
1 67 . 1 1 1 A 13 13 ARG CB C 13 31.059 33.629 -2.570 1
1 70 . 1 1 1 A 13 13 ARG N N 13 125.368 121.496 3.872 1
1 71 . 1 1 1 A 14 14 ILE H H 14 8.179 8.736 -0.557 1
1 72 . 1 1 1 A 14 14 ILE HA H 14 4.268 4.606 -0.338 1
1 82 . 1 1 1 A 14 14 ILE C C 14 176.844 175.645 1.199 1
1 83 . 1 1 1 A 14 14 ILE CA C 14 61.647 60.477 1.170 1
1 84 . 1 1 1 A 14 14 ILE CB C 14 39.248 38.129 1.119 1
1 88 . 1 1 1 A 14 14 ILE N N 14 123.951 127.429 -3.478 1
1 89 . 1 1 1 A 15 15 THR H H 15 8.922 8.438 0.484 1
1 90 . 1 1 1 A 15 15 THR HA H 15 4.386 4.756 -0.370 1
1 95 . 1 1 1 A 15 15 THR C C 15 175.263 174.853 0.410 1
1 96 . 1 1 1 A 15 15 THR CA C 15 61.402 59.944 1.458 1
1 97 . 1 1 1 A 15 15 THR CB C 15 70.796 71.457 -0.661 1
1 99 . 1 1 1 A 15 15 THR N N 15 119.222 119.166 0.056 1
1 100 . 1 1 1 A 16 16 ASP H H 16 8.951 8.928 0.023 1
1 101 . 1 1 1 A 16 16 ASP HA H 16 4.353 4.280 0.073 1
1 104 . 1 1 1 A 16 16 ASP C C 16 178.888 177.991 0.897 1
1 105 . 1 1 1 A 16 16 ASP CA C 16 58.016 57.384 0.632 1
1 106 . 1 1 1 A 16 16 ASP CB C 16 40.154 40.260 -0.106 1
1 107 . 1 1 1 A 16 16 ASP N N 16 120.852 126.683 -5.831 1
1 108 . 1 1 1 A 17 17 ASP H H 17 8.387 8.238 0.149 1
1 109 . 1 1 1 A 17 17 ASP HA H 17 4.361 4.390 -0.029 1
1 112 . 1 1 1 A 17 17 ASP C C 17 178.815 178.172 0.643 1
1 113 . 1 1 1 A 17 17 ASP CA C 17 57.311 56.444 0.867 1
1 114 . 1 1 1 A 17 17 ASP CB C 17 40.649 40.267 0.382 1
1 115 . 1 1 1 A 17 17 ASP N N 17 118.488 119.447 -0.959 1
1 116 . 1 1 1 A 18 18 GLN H H 18 7.561 7.612 -0.051 1
1 117 . 1 1 1 A 18 18 GLN HA H 18 3.844 4.210 -0.366 1
1 124 . 1 1 1 A 18 18 GLN C C 18 177.988 178.016 -0.028 1
1 125 . 1 1 1 A 18 18 GLN CA C 18 58.933 57.767 1.166 1
1 126 . 1 1 1 A 18 18 GLN CB C 18 28.702 29.097 -0.395 1
1 128 . 1 1 1 A 18 18 GLN N N 18 119.852 119.740 0.112 1
1 130 . 1 1 1 A 19 19 LEU H H 19 8.538 8.556 -0.018 1
1 131 . 1 1 1 A 19 19 LEU HA H 19 3.549 3.713 -0.164 1
1 141 . 1 1 1 A 19 19 LEU C C 19 178.202 178.042 0.160 1
1 142 . 1 1 1 A 19 19 LEU CA C 19 57.593 57.852 -0.259 1
1 143 . 1 1 1 A 19 19 LEU CB C 19 41.720 41.516 0.204 1
1 147 . 1 1 1 A 19 19 LEU N N 19 120.203 121.694 -1.491 1
1 148 . 1 1 1 A 20 20 ARG H H 20 7.644 8.005 -0.361 1
1 149 . 1 1 1 A 20 20 ARG HA H 20 3.893 4.108 -0.215 1
1 155 . 1 1 1 A 20 20 ARG C C 20 179.148 178.300 0.848 1
1 156 . 1 1 1 A 20 20 ARG CA C 20 59.744 58.664 1.080 1
1 157 . 1 1 1 A 20 20 ARG CB C 20 29.855 30.056 -0.201 1
1 160 . 1 1 1 A 20 20 ARG N N 20 117.442 117.366 0.076 1
1 161 . 1 1 1 A 21 21 VAL H H 21 7.074 7.495 -0.421 1
1 162 . 1 1 1 A 21 21 VAL HA H 21 3.726 3.721 0.005 1
1 170 . 1 1 1 A 21 21 VAL C C 21 177.643 178.392 -0.749 1
1 171 . 1 1 1 A 21 21 VAL CA C 21 66.098 66.021 0.077 1
1 172 . 1 1 1 A 21 21 VAL CB C 21 31.750 31.480 0.270 1
1 175 . 1 1 1 A 21 21 VAL N N 21 118.796 120.587 -1.791 1
1 176 . 1 1 1 A 22 22 LEU H H 22 7.620 8.012 -0.392 1
1 177 . 1 1 1 A 22 22 LEU HA H 22 3.947 3.942 0.005 1
1 187 . 1 1 1 A 22 22 LEU C C 22 178.979 178.607 0.372 1
1 188 . 1 1 1 A 22 22 LEU CA C 22 58.369 56.992 1.377 1
1 189 . 1 1 1 A 22 22 LEU CB C 22 38.869 40.824 -1.955 1
1 193 . 1 1 1 A 22 22 LEU N N 22 119.184 120.111 -0.927 1
1 194 . 1 1 1 A 23 23 ARG H H 23 8.451 8.408 0.043 1
1 195 . 1 1 1 A 23 23 ARG HA H 23 4.054 4.145 -0.091 1
1 202 . 1 1 1 A 23 23 ARG C C 23 178.177 179.631 -1.454 1
1 203 . 1 1 1 A 23 23 ARG CA C 23 59.157 59.548 -0.391 1
1 204 . 1 1 1 A 23 23 ARG CB C 23 29.772 30.298 -0.526 1
1 207 . 1 1 1 A 23 23 ARG N N 23 116.571 120.037 -3.466 1
1 208 . 1 1 1 A 24 24 GLN H H 24 7.749 8.357 -0.608 1
1 209 . 1 1 1 A 24 24 GLN HA H 24 4.129 4.055 0.074 1
1 216 . 1 1 1 A 24 24 GLN C C 24 179.100 178.626 0.474 1
1 217 . 1 1 1 A 24 24 GLN CA C 24 58.827 59.069 -0.242 1
1 218 . 1 1 1 A 24 24 GLN CB C 24 28.290 28.387 -0.097 1
1 220 . 1 1 1 A 24 24 GLN N N 24 118.256 118.910 -0.654 1
1 222 . 1 1 1 A 25 25 TYR H H 25 7.902 8.355 -0.453 1
1 223 . 1 1 1 A 25 25 TYR HA H 25 4.295 4.289 0.006 1
1 230 . 1 1 1 A 25 25 TYR C C 25 178.080 178.616 -0.536 1
1 231 . 1 1 1 A 25 25 TYR CA C 25 61.506 60.690 0.816 1
1 232 . 1 1 1 A 25 25 TYR CB C 25 39.001 38.059 0.942 1
1 237 . 1 1 1 A 25 25 TYR N N 25 117.374 120.448 -3.074 1
1 238 . 1 1 1 A 26 26 PHE H H 26 8.935 8.519 0.416 1
1 239 . 1 1 1 A 26 26 PHE HA H 26 4.366 4.548 -0.182 1
1 247 . 1 1 1 A 26 26 PHE C C 26 175.847 176.729 -0.882 1
1 248 . 1 1 1 A 26 26 PHE CA C 26 61.452 62.042 -0.590 1
1 249 . 1 1 1 A 26 26 PHE CB C 26 39.538 39.210 0.328 1
1 255 . 1 1 1 A 27 27 ASP H H 27 8.138 8.125 0.013 1
1 256 . 1 1 1 A 27 27 ASP HA H 27 4.407 4.328 0.079 1
1 259 . 1 1 1 A 27 27 ASP C C 27 177.546 178.464 -0.918 1
1 260 . 1 1 1 A 27 27 ASP CA C 27 56.007 57.418 -1.411 1
1 261 . 1 1 1 A 27 27 ASP CB C 27 40.813 41.552 -0.739 1
1 262 . 1 1 1 A 27 27 ASP N N 27 116.760 118.714 -1.954 1
1 263 . 1 1 1 A 28 28 ILE H H 28 7.463 7.252 0.211 1
1 264 . 1 1 1 A 28 28 ILE HA H 28 3.945 3.771 0.174 1
1 274 . 1 1 1 A 28 28 ILE C C 28 176.260 176.226 0.034 1
1 275 . 1 1 1 A 28 28 ILE CA C 28 62.881 64.723 -1.842 1
1 276 . 1 1 1 A 28 28 ILE CB C 28 38.836 37.911 0.925 1
1 280 . 1 1 1 A 28 28 ILE N N 28 119.169 119.067 0.102 1
1 281 . 1 1 1 A 29 29 ASN H H 29 8.214 8.249 -0.035 1
1 282 . 1 1 1 A 29 29 ASN HA H 29 4.620 5.015 -0.395 1
1 287 . 1 1 1 A 29 29 ASN C C 29 173.633 175.625 -1.992 1
1 288 . 1 1 1 A 29 29 ASN CA C 29 53.081 52.405 0.676 1
1 289 . 1 1 1 A 29 29 ASN CB C 29 39.330 40.950 -1.620 1
1 290 . 1 1 1 A 29 29 ASN N N 29 117.989 116.698 1.291 1
1 292 . 1 1 1 A 30 30 ASN H H 30 8.383 8.585 -0.202 1
1 293 . 1 1 1 A 30 30 ASN HA H 30 4.231 3.985 0.246 1
1 298 . 1 1 1 A 30 30 ASN C C 30 174.338 175.804 -1.466 1
1 299 . 1 1 1 A 30 30 ASN CA C 30 53.610 56.669 -3.059 1
1 300 . 1 1 1 A 30 30 ASN CB C 30 38.836 38.418 0.418 1
1 301 . 1 1 1 A 30 30 ASN N N 30 120.522 122.513 -1.991 1
1 303 . 1 1 1 A 31 31 SER H H 31 7.941 7.930 0.011 1
1 304 . 1 1 1 A 31 31 SER HA H 31 4.795 4.671 0.124 1
1 307 . 1 1 1 A 31 31 SER C C 31 174.387 171.826 2.561 1
1 308 . 1 1 1 A 31 31 SER CA C 31 54.843 55.500 -0.657 1
1 309 . 1 1 1 A 31 31 SER CB C 31 63.553 64.124 -0.571 1
1 310 . 1 1 1 A 31 31 SER N N 31 112.907 112.596 0.311 1
1 311 . 1 1 1 A 32 32 PRO HA H 32 4.437 4.487 -0.050 1
1 318 . 1 1 1 A 32 32 PRO C C 32 176.844 175.862 0.982 1
1 319 . 1 1 1 A 32 32 PRO CA C 32 62.180 62.261 -0.081 1
1 320 . 1 1 1 A 32 32 PRO CB C 32 32.380 32.063 0.317 1
1 323 . 1 1 1 A 33 33 SER H H 33 8.658 8.494 0.164 1
1 324 . 1 1 1 A 33 33 SER HA H 33 4.462 4.733 -0.271 1
1 327 . 1 1 1 A 33 33 SER C C 33 175.068 175.446 -0.378 1
1 328 . 1 1 1 A 33 33 SER CA C 33 56.539 57.039 -0.500 1
1 329 . 1 1 1 A 33 33 SER CB C 33 65.613 65.117 0.496 1
1 330 . 1 1 1 A 33 33 SER N N 33 117.201 117.333 -0.132 1
1 331 . 1 1 1 A 34 34 GLU H H 34 8.983 9.013 -0.030 1
1 332 . 1 1 1 A 34 34 GLU HA H 34 3.885 3.972 -0.087 1
1 337 . 1 1 1 A 34 34 GLU C C 34 179.464 178.391 1.073 1
1 338 . 1 1 1 A 34 34 GLU CA C 34 59.990 59.284 0.706 1
1 339 . 1 1 1 A 34 34 GLU CB C 34 29.031 29.200 -0.169 1
1 341 . 1 1 1 A 34 34 GLU N N 34 120.557 126.616 -6.059 1
1 342 . 1 1 1 A 35 35 GLU H H 35 8.672 7.927 0.745 1
1 343 . 1 1 1 A 35 35 GLU HA H 35 3.989 4.134 -0.145 1
1 348 . 1 1 1 A 35 35 GLU C C 35 179.440 178.849 0.591 1
1 349 . 1 1 1 A 35 35 GLU CA C 35 60.096 58.932 1.164 1
1 350 . 1 1 1 A 35 35 GLU CB C 35 28.949 29.956 -1.007 1
1 352 . 1 1 1 A 35 35 GLU N N 35 119.112 119.507 -0.395 1
1 353 . 1 1 1 A 36 36 GLN H H 36 7.705 8.159 -0.454 1
1 354 . 1 1 1 A 36 36 GLN HA H 36 4.012 4.121 -0.109 1
1 360 . 1 1 1 A 36 36 GLN C C 36 178.372 178.408 -0.036 1
1 361 . 1 1 1 A 36 36 GLN CA C 36 58.968 58.369 0.599 1
1 362 . 1 1 1 A 36 36 GLN CB C 36 28.290 28.490 -0.200 1
1 364 . 1 1 1 A 36 36 GLN N N 36 120.638 119.297 1.341 1
1 366 . 1 1 1 A 37 37 ILE H H 37 8.308 8.505 -0.197 1
1 367 . 1 1 1 A 37 37 ILE HA H 37 3.474 3.714 -0.240 1
1 377 . 1 1 1 A 37 37 ILE C C 37 177.400 178.877 -1.477 1
1 378 . 1 1 1 A 37 37 ILE CA C 37 65.173 64.999 0.174 1
1 379 . 1 1 1 A 37 37 ILE CB C 37 36.447 37.641 -1.194 1
1 383 . 1 1 1 A 37 37 ILE N N 37 121.515 120.821 0.694 1
1 384 . 1 1 1 A 38 38 LYS H H 38 7.808 7.957 -0.149 1
1 385 . 1 1 1 A 38 38 LYS HA H 38 3.803 3.955 -0.152 1
1 393 . 1 1 1 A 38 38 LYS C C 38 178.153 178.628 -0.475 1
1 394 . 1 1 1 A 38 38 LYS CA C 38 60.096 59.412 0.684 1
1 395 . 1 1 1 A 38 38 LYS CB C 38 31.833 32.422 -0.589 1
1 399 . 1 1 1 A 38 38 LYS N N 38 120.672 122.513 -1.841 1
1 400 . 1 1 1 A 39 39 GLU H H 39 7.719 8.064 -0.345 1
1 401 . 1 1 1 A 39 39 GLU HA H 39 4.089 4.098 -0.009 1
1 406 . 1 1 1 A 39 39 GLU C C 39 179.278 178.729 0.549 1
1 407 . 1 1 1 A 39 39 GLU CA C 39 59.522 59.124 0.398 1
1 408 . 1 1 1 A 39 39 GLU CB C 39 29.773 29.221 0.552 1
1 410 . 1 1 1 A 39 39 GLU N N 39 119.510 117.545 1.965 1
1 411 . 1 1 1 A 40 40 MET H H 40 8.167 8.454 -0.287 1
1 412 . 1 1 1 A 40 40 MET HA H 40 3.599 4.133 -0.534 1
1 420 . 1 1 1 A 40 40 MET C C 40 179.813 178.410 1.403 1
1 421 . 1 1 1 A 40 40 MET CA C 40 59.533 58.568 0.965 1
1 422 . 1 1 1 A 40 40 MET CB C 40 35.410 32.896 2.514 1
1 425 . 1 1 1 A 40 40 MET N N 40 117.312 118.969 -1.657 1
1 426 . 1 1 1 A 41 41 ALA H H 41 8.689 8.037 0.652 1
1 427 . 1 1 1 A 41 41 ALA HA H 41 4.102 4.303 -0.201 1
1 431 . 1 1 1 A 41 41 ALA C C 41 179.610 179.072 0.538 1
1 432 . 1 1 1 A 41 41 ALA CA C 41 55.866 54.897 0.969 1
1 433 . 1 1 1 A 41 41 ALA CB C 41 18.609 18.419 0.190 1
1 434 . 1 1 1 A 41 41 ALA N N 41 128.620 121.666 6.954 1
1 435 . 1 1 1 A 42 42 ASP H H 42 8.324 7.165 1.159 1
1 436 . 1 1 1 A 42 42 ASP HA H 42 4.306 4.561 -0.255 1
1 439 . 1 1 1 A 42 42 ASP C C 42 179.003 178.537 0.466 1
1 440 . 1 1 1 A 42 42 ASP CA C 42 57.241 56.185 1.056 1
1 441 . 1 1 1 A 42 42 ASP CB C 42 40.319 41.528 -1.209 1
1 442 . 1 1 1 A 42 42 ASP N N 42 120.159 117.892 2.267 1
1 443 . 1 1 1 A 43 43 LYS H H 43 8.036 7.722 0.314 1
1 444 . 1 1 1 A 43 43 LYS HA H 43 4.155 4.004 0.151 1
1 452 . 1 1 1 A 43 43 LYS C C 43 178.105 178.497 -0.392 1
1 453 . 1 1 1 A 43 43 LYS CA C 43 58.580 59.182 -0.602 1
1 454 . 1 1 1 A 43 43 LYS CB C 43 33.893 32.256 1.637 1
1 458 . 1 1 1 A 43 43 LYS N N 43 116.586 119.136 -2.550 1
1 459 . 1 1 1 A 44 44 SER H H 44 8.314 8.046 0.268 1
1 460 . 1 1 1 A 44 44 SER HA H 44 4.486 4.543 -0.057 1
1 463 . 1 1 1 A 44 44 SER C C 44 175.458 175.485 -0.027 1
1 464 . 1 1 1 A 44 44 SER CA C 44 59.955 58.763 1.192 1
1 465 . 1 1 1 A 44 44 SER CB C 44 66.025 65.190 0.835 1
1 466 . 1 1 1 A 44 44 SER N N 44 111.140 110.553 0.587 1
1 467 . 1 1 1 A 45 45 GLY H H 45 8.249 7.868 0.381 1
1 468 . 1 1 1 A 45 45 GLY HA2 H 45 3.872 4.010 -0.138 1
1 469 . 1 1 1 A 45 45 GLY HA3 H 45 4.233 4.012 0.221 1
1 470 . 1 1 1 A 45 45 GLY C C 45 174.317 173.989 0.328 1
1 471 . 1 1 1 A 45 45 GLY CA C 45 45.889 44.847 1.042 1
1 472 . 1 1 1 A 45 45 GLY N N 45 112.770 110.689 2.081 1
1 473 . 1 1 1 A 46 46 LEU H H 46 7.800 7.591 0.209 1
1 474 . 1 1 1 A 46 46 LEU HA H 46 4.685 4.581 0.104 1
1 484 . 1 1 1 A 46 46 LEU C C 46 174.366 174.728 -0.362 1
1 485 . 1 1 1 A 46 46 LEU CA C 46 52.235 52.281 -0.046 1
1 486 . 1 1 1 A 46 46 LEU CB C 46 43.285 41.783 1.502 1
1 490 . 1 1 1 A 46 46 LEU N N 46 121.722 121.934 -0.212 1
1 491 . 1 1 1 A 47 47 PRO HA H 47 4.542 4.569 -0.027 1
1 497 . 1 1 1 A 47 47 PRO C C 47 178.542 176.591 1.951 1
1 498 . 1 1 1 A 47 47 PRO CA C 47 62.000 62.383 -0.383 1
1 499 . 1 1 1 A 47 47 PRO CB C 47 32.731 33.459 -0.728 1
1 502 . 1 1 1 A 48 48 GLN H H 48 9.124 8.656 0.468 1
1 503 . 1 1 1 A 48 48 GLN HA H 48 3.629 4.098 -0.469 1
1 510 . 1 1 1 A 48 48 GLN C C 48 178.080 177.532 0.548 1
1 511 . 1 1 1 A 48 48 GLN CA C 48 60.872 58.040 2.832 1
1 512 . 1 1 1 A 48 48 GLN CB C 48 28.455 28.501 -0.046 1
1 514 . 1 1 1 A 48 48 GLN N N 48 123.862 120.551 3.311 1
1 516 . 1 1 1 A 49 49 LYS H H 49 8.912 8.030 0.882 1
1 517 . 1 1 1 A 49 49 LYS HA H 49 3.969 4.137 -0.168 1
1 524 . 1 1 1 A 49 49 LYS C C 49 178.954 179.146 -0.192 1
1 525 . 1 1 1 A 49 49 LYS CA C 49 59.955 59.260 0.695 1
1 526 . 1 1 1 A 49 49 LYS CB C 49 32.327 32.209 0.118 1
1 530 . 1 1 1 A 49 49 LYS N N 49 116.406 118.441 -2.035 1
1 531 . 1 1 1 A 50 50 VAL H H 50 6.874 7.879 -1.005 1
1 532 . 1 1 1 A 50 50 VAL HA H 50 3.835 3.595 0.240 1
1 540 . 1 1 1 A 50 50 VAL C C 50 178.299 178.034 0.265 1
1 541 . 1 1 1 A 50 50 VAL CA C 50 65.560 66.162 -0.602 1
1 542 . 1 1 1 A 50 50 VAL CB C 50 32.080 31.616 0.464 1
1 545 . 1 1 1 A 50 50 VAL N N 50 119.065 120.338 -1.273 1
1 546 . 1 1 1 A 51 51 ILE H H 51 7.503 7.995 -0.492 1
1 547 . 1 1 1 A 51 51 ILE HA H 51 3.672 3.618 0.054 1
1 557 . 1 1 1 A 51 51 ILE C C 51 178.007 178.128 -0.121 1
1 558 . 1 1 1 A 51 51 ILE CA C 51 66.019 65.617 0.402 1
1 559 . 1 1 1 A 51 51 ILE CB C 51 38.081 38.004 0.077 1
1 563 . 1 1 1 A 51 51 ILE N N 51 121.254 120.632 0.622 1
1 564 . 1 1 1 A 52 52 LYS H H 52 8.596 7.830 0.766 1
1 565 . 1 1 1 A 52 52 LYS HA H 52 3.984 4.098 -0.114 1
1 572 . 1 1 1 A 52 52 LYS C C 52 179.302 178.960 0.342 1
1 573 . 1 1 1 A 52 52 LYS CA C 52 60.978 59.754 1.224 1
1 574 . 1 1 1 A 52 52 LYS CB C 52 32.574 32.335 0.239 1
1 578 . 1 1 1 A 52 52 LYS N N 52 118.531 119.711 -1.180 1
1 579 . 1 1 1 A 53 53 HIS H H 53 7.952 8.031 -0.079 1
1 580 . 1 1 1 A 53 53 HIS HA H 53 4.324 4.385 -0.061 1
1 585 . 1 1 1 A 53 53 HIS C C 53 177.085 176.952 0.133 1
1 586 . 1 1 1 A 53 53 HIS CA C 53 60.026 59.114 0.912 1
1 587 . 1 1 1 A 53 53 HIS CB C 53 30.867 30.236 0.631 1
1 590 . 1 1 1 A 53 53 HIS N N 53 118.728 119.208 -0.480 1
1 591 . 1 1 1 A 54 54 TRP H H 54 8.614 8.483 0.131 1
1 592 . 1 1 1 A 54 54 TRP HA H 54 4.048 4.381 -0.333 1
1 601 . 1 1 1 A 54 54 TRP C C 54 180.144 178.280 1.864 1
1 602 . 1 1 1 A 54 54 TRP CA C 54 62.916 61.067 1.849 1
1 603 . 1 1 1 A 54 54 TRP CB C 54 28.766 29.536 -0.770 1
1 609 . 1 1 1 A 54 54 TRP N N 54 121.845 121.669 0.176 1
1 611 . 1 1 1 A 55 55 PHE H H 55 9.035 8.551 0.484 1
1 612 . 1 1 1 A 55 55 PHE HA H 55 3.786 4.184 -0.398 1
1 620 . 1 1 1 A 55 55 PHE C C 55 178.129 178.006 0.123 1
1 621 . 1 1 1 A 55 55 PHE CA C 55 63.617 62.313 1.304 1
1 622 . 1 1 1 A 55 55 PHE CB C 55 39.260 38.755 0.505 1
1 628 . 1 1 1 A 55 55 PHE N N 55 120.180 118.011 2.169 1
1 629 . 1 1 1 A 56 56 ARG H H 56 7.962 8.334 -0.372 1
1 630 . 1 1 1 A 56 56 ARG HA H 56 4.095 4.008 0.087 1
1 636 . 1 1 1 A 56 56 ARG C C 56 178.444 178.271 0.173 1
1 637 . 1 1 1 A 56 56 ARG CA C 56 59.356 59.425 -0.069 1
1 638 . 1 1 1 A 56 56 ARG CB C 56 30.087 29.624 0.463 1
1 641 . 1 1 1 A 56 56 ARG N N 56 118.370 120.636 -2.266 1
1 642 . 1 1 1 A 57 57 ASN H H 57 8.194 8.145 0.049 1
1 643 . 1 1 1 A 57 57 ASN HA H 57 4.401 4.295 0.106 1
1 648 . 1 1 1 A 57 57 ASN C C 57 176.866 177.321 -0.455 1
1 649 . 1 1 1 A 57 57 ASN CA C 57 55.497 55.521 -0.024 1
1 650 . 1 1 1 A 57 57 ASN CB C 57 38.640 38.900 -0.260 1
1 651 . 1 1 1 A 57 57 ASN N N 57 117.190 117.557 -0.367 1
1 653 . 1 1 1 A 58 58 THR H H 58 7.999 7.327 0.672 1
1 654 . 1 1 1 A 58 58 THR HA H 58 3.426 3.679 -0.253 1
1 659 . 1 1 1 A 58 58 THR C C 58 175.361 175.766 -0.405 1
1 660 . 1 1 1 A 58 58 THR CA C 58 65.801 65.980 -0.179 1
1 661 . 1 1 1 A 58 58 THR CB C 58 68.064 68.200 -0.136 1
1 663 . 1 1 1 A 58 58 THR N N 58 117.859 115.153 2.706 1
1 664 . 1 1 1 A 59 59 LEU H H 59 7.950 8.477 -0.527 1
1 665 . 1 1 1 A 59 59 LEU HA H 59 4.127 4.177 -0.050 1
1 674 . 1 1 1 A 59 59 LEU C C 59 177.886 178.812 -0.926 1
1 675 . 1 1 1 A 59 59 LEU CA C 59 57.628 58.641 -1.013 1
1 676 . 1 1 1 A 59 59 LEU CB C 59 42.296 42.005 0.291 1
1 680 . 1 1 1 A 59 59 LEU N N 59 122.280 121.358 0.922 1
1 681 . 1 1 1 A 60 60 PHE H H 60 7.797 8.814 -1.017 1
1 682 . 1 1 1 A 60 60 PHE HA H 60 4.309 4.007 0.302 1
1 690 . 1 1 1 A 60 60 PHE C C 60 177.085 177.043 0.042 1
1 691 . 1 1 1 A 60 60 PHE CA C 60 59.920 61.820 -1.900 1
1 692 . 1 1 1 A 60 60 PHE CB C 60 38.918 39.324 -0.406 1
1 698 . 1 1 1 A 60 60 PHE N N 60 118.008 119.551 -1.543 1
1 699 . 1 1 1 A 61 61 LYS H H 61 7.839 8.025 -0.186 1
1 700 . 1 1 1 A 61 61 LYS HA H 61 4.007 3.952 0.055 1
1 707 . 1 1 1 A 61 61 LYS C C 61 178.032 179.802 -1.770 1
1 708 . 1 1 1 A 61 61 LYS CA C 61 58.016 59.509 -1.493 1
1 709 . 1 1 1 A 61 61 LYS CB C 61 32.657 32.387 0.270 1
1 713 . 1 1 1 A 61 61 LYS N N 61 119.447 117.979 1.468 1
1 714 . 1 1 1 A 62 62 GLU H H 62 8.139 8.232 -0.093 1
1 715 . 1 1 1 A 62 62 GLU HA H 62 4.146 4.011 0.135 1
1 720 . 1 1 1 A 62 62 GLU C C 62 177.595 179.213 -1.618 1
1 721 . 1 1 1 A 62 62 GLU CA C 62 57.699 59.436 -1.737 1
1 722 . 1 1 1 A 62 62 GLU CB C 62 29.608 29.294 0.314 1
1 724 . 1 1 1 A 62 62 GLU N N 62 119.302 119.908 -0.606 1
1 725 . 1 1 1 A 63 63 ARG H H 63 8.015 7.657 0.358 1
1 726 . 1 1 1 A 63 63 ARG HA H 63 4.258 4.221 0.037 1
1 732 . 1 1 1 A 63 63 ARG C C 63 176.769 176.216 0.553 1
1 733 . 1 1 1 A 63 63 ARG CA C 63 56.677 58.170 -1.493 1
1 734 . 1 1 1 A 63 63 ARG CB C 63 30.514 30.457 0.057 1
1 737 . 1 1 1 A 63 63 ARG N N 63 119.598 118.018 1.580 1
1 738 . 1 1 1 A 64 64 GLN H H 64 8.058 7.542 0.516 1
1 739 . 1 1 1 A 64 64 GLN HA H 64 4.242 4.279 -0.037 1
1 745 . 1 1 1 A 64 64 GLN C C 64 176.114 175.392 0.722 1
1 746 . 1 1 1 A 64 64 GLN CA C 64 56.148 56.204 -0.056 1
1 747 . 1 1 1 A 64 64 GLN CB C 64 29.258 28.965 0.293 1
1 749 . 1 1 1 A 64 64 GLN N N 64 120.027 118.869 1.158 1
1 751 . 1 1 1 A 65 65 SER H H 65 8.172 8.585 -0.413 1
1 752 . 1 1 1 A 65 65 SER HA H 65 4.457 4.889 -0.432 1
1 755 . 1 1 1 A 65 65 SER C C 65 174.487 173.248 1.239 1
1 756 . 1 1 1 A 65 65 SER CA C 65 58.404 56.651 1.753 1
1 757 . 1 1 1 A 65 65 SER CB C 65 63.965 64.330 -0.365 1
1 758 . 1 1 1 A 65 65 SER N N 65 116.070 117.257 -1.187 1
1 759 . 1 1 1 A 66 66 GLY H H 66 8.170 9.189 -1.019 1
1 760 . 1 1 1 A 66 66 GLY HA2 H 66 4.141 4.211 -0.070 1
1 761 . 1 1 1 A 66 66 GLY HA3 H 66 4.082 4.212 -0.130 1
1 762 . 1 1 1 A 66 66 GLY C C 66 171.768 173.191 -1.423 1
1 763 . 1 1 1 A 66 66 GLY CA C 66 44.620 43.999 0.621 1
1 764 . 1 1 1 A 66 66 GLY N N 66 110.579 114.804 -4.225 1
1 765 . 1 1 1 A 67 67 PRO HA H 67 4.453 4.613 -0.160 1
1 770 . 1 1 1 A 67 67 PRO C C 67 177.400 175.294 2.106 1
1 771 . 1 1 1 A 67 67 PRO CA C 67 63.198 62.743 0.455 1
1 772 . 1 1 1 A 67 67 PRO CB C 67 32.171 32.355 -0.184 1
1 775 . 1 1 1 A 68 68 SER H H 68 8.525 8.516 0.009 1
1 776 . 1 1 1 A 68 68 SER HA H 68 4.490 5.006 -0.516 1
1 779 . 1 1 1 A 68 68 SER C C 68 174.657 173.023 1.634 1
1 780 . 1 1 1 A 68 68 SER CA C 68 58.589 56.929 1.660 1
1 781 . 1 1 1 A 68 68 SER CB C 68 63.800 64.917 -1.117 1
1 782 . 1 1 1 A 68 68 SER N N 68 116.415 116.278 0.137 1
1 783 . 1 1 1 A 69 69 SER H H 69 8.316 8.786 -0.470 1
1 784 . 1 1 1 A 69 69 SER HA H 69 4.467 5.265 -0.798 1
1 787 . 1 1 1 A 69 69 SER C C 69 173.953 173.018 0.935 1
1 788 . 1 1 1 A 69 69 SER CA C 69 58.369 57.170 1.199 1
1 789 . 1 1 1 A 69 69 SER CB C 69 64.047 66.017 -1.970 1
1 790 . 1 1 1 A 69 69 SER N N 69 117.832 118.840 -1.008 1
1 1 . 2 1 1 A 7 7 GLY H H 7 8.499 8.620 -0.121 1
1 2 . 2 1 1 A 7 7 GLY HA2 H 7 3.948 4.138 -0.190 1
1 3 . 2 1 1 A 7 7 GLY HA3 H 7 3.948 4.191 -0.243 1
1 4 . 2 1 1 A 7 7 GLY C C 7 173.949 173.885 0.064 1
1 5 . 2 1 1 A 7 7 GLY CA C 7 45.325 45.564 -0.239 1
1 6 . 2 1 1 A 8 8 LYS H H 8 8.116 7.973 0.143 1
1 7 . 2 1 1 A 8 8 LYS HA H 8 4.308 4.664 -0.356 1
1 14 . 2 1 1 A 8 8 LYS C C 8 176.504 175.518 0.986 1
1 15 . 2 1 1 A 8 8 LYS CA C 8 56.113 54.333 1.780 1
1 16 . 2 1 1 A 8 8 LYS CB C 8 33.151 34.364 -1.213 1
1 20 . 2 1 1 A 8 8 LYS N N 8 120.734 119.341 1.393 1
1 21 . 2 1 1 A 9 9 ARG H H 9 8.362 8.477 -0.115 1
1 22 . 2 1 1 A 9 9 ARG HA H 9 4.590 4.847 -0.257 1
1 27 . 2 1 1 A 9 9 ARG C C 9 176.479 174.448 2.031 1
1 28 . 2 1 1 A 9 9 ARG CA C 9 53.962 53.883 0.079 1
1 29 . 2 1 1 A 9 9 ARG CB C 9 30.103 31.442 -1.339 1
1 32 . 2 1 1 A 9 9 ARG N N 9 123.609 119.659 3.950 1
1 33 . 2 1 1 A 10 10 PRO HA H 10 4.419 4.645 -0.226 1
1 39 . 2 1 1 A 10 10 PRO C C 10 176.796 177.394 -0.598 1
1 40 . 2 1 1 A 10 10 PRO CA C 10 62.987 62.881 0.106 1
1 41 . 2 1 1 A 10 10 PRO CB C 10 32.080 32.064 0.016 1
1 44 . 2 1 1 A 11 11 ARG H H 11 8.517 8.710 -0.193 1
1 45 . 2 1 1 A 11 11 ARG C C 11 176.551 176.379 0.172 1
1 46 . 2 1 1 A 11 11 ARG CA C 11 56.077 58.560 -2.483 1
1 47 . 2 1 1 A 11 11 ARG CB C 11 30.762 31.180 -0.418 1
1 48 . 2 1 1 A 11 11 ARG N N 11 121.931 123.383 -1.452 1
1 49 . 2 1 1 A 12 12 THR HA H 12 4.260 4.255 0.005 1
1 54 . 2 1 1 A 12 12 THR C C 12 173.904 174.397 -0.493 1
1 55 . 2 1 1 A 12 12 THR CA C 12 62.218 63.105 -0.887 1
1 56 . 2 1 1 A 12 12 THR CB C 12 69.843 68.959 0.884 1
1 58 . 2 1 1 A 13 13 ARG H H 13 8.434 8.366 0.068 1
1 59 . 2 1 1 A 13 13 ARG HA H 13 4.381 4.319 0.062 1
1 65 . 2 1 1 A 13 13 ARG C C 13 175.336 176.387 -1.051 1
1 66 . 2 1 1 A 13 13 ARG CA C 13 55.972 56.627 -0.655 1
1 67 . 2 1 1 A 13 13 ARG CB C 13 31.059 30.552 0.507 1
1 70 . 2 1 1 A 13 13 ARG N N 13 125.368 127.811 -2.443 1
1 71 . 2 1 1 A 14 14 ILE H H 14 8.179 8.333 -0.154 1
1 72 . 2 1 1 A 14 14 ILE HA H 14 4.268 4.163 0.105 1
1 82 . 2 1 1 A 14 14 ILE C C 14 176.844 176.609 0.235 1
1 83 . 2 1 1 A 14 14 ILE CA C 14 61.647 61.703 -0.056 1
1 84 . 2 1 1 A 14 14 ILE CB C 14 39.248 37.522 1.726 1
1 88 . 2 1 1 A 14 14 ILE N N 14 123.951 125.215 -1.264 1
1 89 . 2 1 1 A 15 15 THR H H 15 8.922 8.273 0.649 1
1 90 . 2 1 1 A 15 15 THR HA H 15 4.386 4.752 -0.366 1
1 95 . 2 1 1 A 15 15 THR C C 15 175.263 175.538 -0.275 1
1 96 . 2 1 1 A 15 15 THR CA C 15 61.402 60.355 1.047 1
1 97 . 2 1 1 A 15 15 THR CB C 15 70.796 71.271 -0.475 1
1 99 . 2 1 1 A 15 15 THR N N 15 119.222 118.109 1.113 1
1 100 . 2 1 1 A 16 16 ASP H H 16 8.951 9.072 -0.121 1
1 101 . 2 1 1 A 16 16 ASP HA H 16 4.353 4.218 0.135 1
1 104 . 2 1 1 A 16 16 ASP C C 16 178.888 177.844 1.044 1
1 105 . 2 1 1 A 16 16 ASP CA C 16 58.016 57.687 0.329 1
1 106 . 2 1 1 A 16 16 ASP CB C 16 40.154 40.141 0.013 1
1 107 . 2 1 1 A 16 16 ASP N N 16 120.852 122.383 -1.531 1
1 108 . 2 1 1 A 17 17 ASP H H 17 8.387 8.212 0.175 1
1 109 . 2 1 1 A 17 17 ASP HA H 17 4.361 4.390 -0.029 1
1 112 . 2 1 1 A 17 17 ASP C C 17 178.815 178.508 0.307 1
1 113 . 2 1 1 A 17 17 ASP CA C 17 57.311 56.677 0.634 1
1 114 . 2 1 1 A 17 17 ASP CB C 17 40.649 40.120 0.529 1
1 115 . 2 1 1 A 17 17 ASP N N 17 118.488 118.937 -0.449 1
1 116 . 2 1 1 A 18 18 GLN H H 18 7.561 7.980 -0.419 1
1 117 . 2 1 1 A 18 18 GLN HA H 18 3.844 4.185 -0.341 1
1 124 . 2 1 1 A 18 18 GLN C C 18 177.988 178.245 -0.257 1
1 125 . 2 1 1 A 18 18 GLN CA C 18 58.933 58.008 0.925 1
1 126 . 2 1 1 A 18 18 GLN CB C 18 28.702 29.089 -0.387 1
1 128 . 2 1 1 A 18 18 GLN N N 18 119.852 120.202 -0.350 1
1 130 . 2 1 1 A 19 19 LEU H H 19 8.538 8.223 0.315 1
1 131 . 2 1 1 A 19 19 LEU HA H 19 3.549 3.687 -0.138 1
1 141 . 2 1 1 A 19 19 LEU C C 19 178.202 177.978 0.224 1
1 142 . 2 1 1 A 19 19 LEU CA C 19 57.593 57.959 -0.366 1
1 143 . 2 1 1 A 19 19 LEU CB C 19 41.720 41.754 -0.034 1
1 147 . 2 1 1 A 19 19 LEU N N 19 120.203 121.776 -1.573 1
1 148 . 2 1 1 A 20 20 ARG H H 20 7.644 8.024 -0.380 1
1 149 . 2 1 1 A 20 20 ARG HA H 20 3.893 4.118 -0.225 1
1 155 . 2 1 1 A 20 20 ARG C C 20 179.148 178.132 1.016 1
1 156 . 2 1 1 A 20 20 ARG CA C 20 59.744 58.857 0.887 1
1 157 . 2 1 1 A 20 20 ARG CB C 20 29.855 29.855 0.000 1
1 160 . 2 1 1 A 20 20 ARG N N 20 117.442 117.929 -0.487 1
1 161 . 2 1 1 A 21 21 VAL H H 21 7.074 7.759 -0.685 1
1 162 . 2 1 1 A 21 21 VAL HA H 21 3.726 3.717 0.009 1
1 170 . 2 1 1 A 21 21 VAL C C 21 177.643 178.282 -0.639 1
1 171 . 2 1 1 A 21 21 VAL CA C 21 66.098 66.148 -0.050 1
1 172 . 2 1 1 A 21 21 VAL CB C 21 31.750 31.655 0.095 1
1 175 . 2 1 1 A 21 21 VAL N N 21 118.796 120.707 -1.911 1
1 176 . 2 1 1 A 22 22 LEU H H 22 7.620 8.231 -0.611 1
1 177 . 2 1 1 A 22 22 LEU HA H 22 3.947 3.882 0.065 1
1 187 . 2 1 1 A 22 22 LEU C C 22 178.979 178.818 0.161 1
1 188 . 2 1 1 A 22 22 LEU CA C 22 58.369 57.449 0.920 1
1 189 . 2 1 1 A 22 22 LEU CB C 22 38.869 40.385 -1.516 1
1 193 . 2 1 1 A 22 22 LEU N N 22 119.184 119.349 -0.165 1
1 194 . 2 1 1 A 23 23 ARG H H 23 8.451 8.319 0.132 1
1 195 . 2 1 1 A 23 23 ARG HA H 23 4.054 4.235 -0.181 1
1 202 . 2 1 1 A 23 23 ARG C C 23 178.177 179.631 -1.454 1
1 203 . 2 1 1 A 23 23 ARG CA C 23 59.157 59.585 -0.428 1
1 204 . 2 1 1 A 23 23 ARG CB C 23 29.772 30.052 -0.280 1
1 207 . 2 1 1 A 23 23 ARG N N 23 116.571 119.725 -3.154 1
1 208 . 2 1 1 A 24 24 GLN H H 24 7.749 8.495 -0.746 1
1 209 . 2 1 1 A 24 24 GLN HA H 24 4.129 4.117 0.012 1
1 216 . 2 1 1 A 24 24 GLN C C 24 179.100 178.708 0.392 1
1 217 . 2 1 1 A 24 24 GLN CA C 24 58.827 59.203 -0.376 1
1 218 . 2 1 1 A 24 24 GLN CB C 24 28.290 28.349 -0.059 1
1 220 . 2 1 1 A 24 24 GLN N N 24 118.256 119.035 -0.779 1
1 222 . 2 1 1 A 25 25 TYR H H 25 7.902 8.000 -0.098 1
1 223 . 2 1 1 A 25 25 TYR HA H 25 4.295 4.316 -0.021 1
1 230 . 2 1 1 A 25 25 TYR C C 25 178.080 178.626 -0.546 1
1 231 . 2 1 1 A 25 25 TYR CA C 25 61.506 60.727 0.779 1
1 232 . 2 1 1 A 25 25 TYR CB C 25 39.001 37.957 1.044 1
1 237 . 2 1 1 A 25 25 TYR N N 25 117.374 120.467 -3.093 1
1 238 . 2 1 1 A 26 26 PHE H H 26 8.935 8.295 0.640 1
1 239 . 2 1 1 A 26 26 PHE HA H 26 4.366 4.584 -0.218 1
1 247 . 2 1 1 A 26 26 PHE C C 26 175.847 176.581 -0.734 1
1 248 . 2 1 1 A 26 26 PHE CA C 26 61.452 62.048 -0.596 1
1 249 . 2 1 1 A 26 26 PHE CB C 26 39.538 39.248 0.290 1
1 255 . 2 1 1 A 27 27 ASP H H 27 8.138 8.144 -0.006 1
1 256 . 2 1 1 A 27 27 ASP HA H 27 4.407 4.286 0.121 1
1 259 . 2 1 1 A 27 27 ASP C C 27 177.546 178.843 -1.297 1
1 260 . 2 1 1 A 27 27 ASP CA C 27 56.007 57.327 -1.320 1
1 261 . 2 1 1 A 27 27 ASP CB C 27 40.813 40.882 -0.069 1
1 262 . 2 1 1 A 27 27 ASP N N 27 116.760 119.056 -2.296 1
1 263 . 2 1 1 A 28 28 ILE H H 28 7.463 7.280 0.183 1
1 264 . 2 1 1 A 28 28 ILE HA H 28 3.945 3.774 0.171 1
1 274 . 2 1 1 A 28 28 ILE C C 28 176.260 176.270 -0.010 1
1 275 . 2 1 1 A 28 28 ILE CA C 28 62.881 64.733 -1.852 1
1 276 . 2 1 1 A 28 28 ILE CB C 28 38.836 37.907 0.929 1
1 280 . 2 1 1 A 28 28 ILE N N 28 119.169 118.005 1.164 1
1 281 . 2 1 1 A 29 29 ASN H H 29 8.214 8.102 0.112 1
1 282 . 2 1 1 A 29 29 ASN HA H 29 4.620 4.971 -0.351 1
1 287 . 2 1 1 A 29 29 ASN C C 29 173.633 175.486 -1.853 1
1 288 . 2 1 1 A 29 29 ASN CA C 29 53.081 51.337 1.744 1
1 289 . 2 1 1 A 29 29 ASN CB C 29 39.330 41.501 -2.171 1
1 290 . 2 1 1 A 29 29 ASN N N 29 117.989 115.631 2.358 1
1 292 . 2 1 1 A 30 30 ASN H H 30 8.383 8.547 -0.164 1
1 293 . 2 1 1 A 30 30 ASN HA H 30 4.231 3.920 0.311 1
1 298 . 2 1 1 A 30 30 ASN C C 30 174.338 175.726 -1.388 1
1 299 . 2 1 1 A 30 30 ASN CA C 30 53.610 56.601 -2.991 1
1 300 . 2 1 1 A 30 30 ASN CB C 30 38.836 38.392 0.444 1
1 301 . 2 1 1 A 30 30 ASN N N 30 120.522 122.242 -1.720 1
1 303 . 2 1 1 A 31 31 SER H H 31 7.941 8.295 -0.354 1
1 304 . 2 1 1 A 31 31 SER HA H 31 4.795 4.778 0.017 1
1 307 . 2 1 1 A 31 31 SER C C 31 174.387 171.902 2.485 1
1 308 . 2 1 1 A 31 31 SER CA C 31 54.843 55.459 -0.616 1
1 309 . 2 1 1 A 31 31 SER CB C 31 63.553 64.236 -0.683 1
1 310 . 2 1 1 A 31 31 SER N N 31 112.907 112.548 0.359 1
1 311 . 2 1 1 A 32 32 PRO HA H 32 4.437 4.531 -0.094 1
1 318 . 2 1 1 A 32 32 PRO C C 32 176.844 176.151 0.693 1
1 319 . 2 1 1 A 32 32 PRO CA C 32 62.180 62.188 -0.008 1
1 320 . 2 1 1 A 32 32 PRO CB C 32 32.380 32.145 0.235 1
1 323 . 2 1 1 A 33 33 SER H H 33 8.658 8.378 0.280 1
1 324 . 2 1 1 A 33 33 SER HA H 33 4.462 4.803 -0.341 1
1 327 . 2 1 1 A 33 33 SER C C 33 175.068 175.803 -0.735 1
1 328 . 2 1 1 A 33 33 SER CA C 33 56.539 56.256 0.283 1
1 329 . 2 1 1 A 33 33 SER CB C 33 65.613 66.227 -0.614 1
1 330 . 2 1 1 A 33 33 SER N N 33 117.201 114.286 2.915 1
1 331 . 2 1 1 A 34 34 GLU H H 34 8.983 9.087 -0.104 1
1 332 . 2 1 1 A 34 34 GLU HA H 34 3.885 3.972 -0.087 1
1 337 . 2 1 1 A 34 34 GLU C C 34 179.464 178.407 1.057 1
1 338 . 2 1 1 A 34 34 GLU CA C 34 59.990 59.627 0.363 1
1 339 . 2 1 1 A 34 34 GLU CB C 34 29.031 29.152 -0.121 1
1 341 . 2 1 1 A 34 34 GLU N N 34 120.557 121.574 -1.017 1
1 342 . 2 1 1 A 35 35 GLU H H 35 8.672 7.942 0.730 1
1 343 . 2 1 1 A 35 35 GLU HA H 35 3.989 4.101 -0.112 1
1 348 . 2 1 1 A 35 35 GLU C C 35 179.440 179.054 0.386 1
1 349 . 2 1 1 A 35 35 GLU CA C 35 60.096 59.156 0.940 1
1 350 . 2 1 1 A 35 35 GLU CB C 35 28.949 29.852 -0.903 1
1 352 . 2 1 1 A 35 35 GLU N N 35 119.112 119.899 -0.787 1
1 353 . 2 1 1 A 36 36 GLN H H 36 7.705 8.044 -0.339 1
1 354 . 2 1 1 A 36 36 GLN HA H 36 4.012 4.067 -0.055 1
1 360 . 2 1 1 A 36 36 GLN C C 36 178.372 178.331 0.041 1
1 361 . 2 1 1 A 36 36 GLN CA C 36 58.968 58.695 0.273 1
1 362 . 2 1 1 A 36 36 GLN CB C 36 28.290 28.361 -0.071 1
1 364 . 2 1 1 A 36 36 GLN N N 36 120.638 118.421 2.217 1
1 366 . 2 1 1 A 37 37 ILE H H 37 8.308 8.481 -0.173 1
1 367 . 2 1 1 A 37 37 ILE HA H 37 3.474 3.685 -0.211 1
1 377 . 2 1 1 A 37 37 ILE C C 37 177.400 178.616 -1.216 1
1 378 . 2 1 1 A 37 37 ILE CA C 37 65.173 64.751 0.422 1
1 379 . 2 1 1 A 37 37 ILE CB C 37 36.447 37.450 -1.003 1
1 383 . 2 1 1 A 37 37 ILE N N 37 121.515 120.853 0.662 1
1 384 . 2 1 1 A 38 38 LYS H H 38 7.808 7.929 -0.121 1
1 385 . 2 1 1 A 38 38 LYS HA H 38 3.803 4.004 -0.201 1
1 393 . 2 1 1 A 38 38 LYS C C 38 178.153 178.521 -0.368 1
1 394 . 2 1 1 A 38 38 LYS CA C 38 60.096 59.272 0.824 1
1 395 . 2 1 1 A 38 38 LYS CB C 38 31.833 32.601 -0.768 1
1 399 . 2 1 1 A 38 38 LYS N N 38 120.672 122.755 -2.083 1
1 400 . 2 1 1 A 39 39 GLU H H 39 7.719 8.147 -0.428 1
1 401 . 2 1 1 A 39 39 GLU HA H 39 4.089 4.100 -0.011 1
1 406 . 2 1 1 A 39 39 GLU C C 39 179.278 178.628 0.650 1
1 407 . 2 1 1 A 39 39 GLU CA C 39 59.522 59.109 0.413 1
1 408 . 2 1 1 A 39 39 GLU CB C 39 29.773 29.263 0.510 1
1 410 . 2 1 1 A 39 39 GLU N N 39 119.510 117.563 1.947 1
1 411 . 2 1 1 A 40 40 MET H H 40 8.167 8.330 -0.163 1
1 412 . 2 1 1 A 40 40 MET HA H 40 3.599 4.113 -0.514 1
1 420 . 2 1 1 A 40 40 MET C C 40 179.813 178.438 1.375 1
1 421 . 2 1 1 A 40 40 MET CA C 40 59.533 58.661 0.872 1
1 422 . 2 1 1 A 40 40 MET CB C 40 35.410 32.958 2.452 1
1 425 . 2 1 1 A 40 40 MET N N 40 117.312 119.118 -1.806 1
1 426 . 2 1 1 A 41 41 ALA H H 41 8.689 7.930 0.759 1
1 427 . 2 1 1 A 41 41 ALA HA H 41 4.102 4.356 -0.254 1
1 431 . 2 1 1 A 41 41 ALA C C 41 179.610 179.058 0.552 1
1 432 . 2 1 1 A 41 41 ALA CA C 41 55.866 54.824 1.042 1
1 433 . 2 1 1 A 41 41 ALA CB C 41 18.609 18.442 0.167 1
1 434 . 2 1 1 A 41 41 ALA N N 41 128.620 121.665 6.955 1
1 435 . 2 1 1 A 42 42 ASP H H 42 8.324 7.139 1.185 1
1 436 . 2 1 1 A 42 42 ASP HA H 42 4.306 4.596 -0.290 1
1 439 . 2 1 1 A 42 42 ASP C C 42 179.003 178.364 0.639 1
1 440 . 2 1 1 A 42 42 ASP CA C 42 57.241 56.136 1.105 1
1 441 . 2 1 1 A 42 42 ASP CB C 42 40.319 41.415 -1.096 1
1 442 . 2 1 1 A 42 42 ASP N N 42 120.159 117.932 2.227 1
1 443 . 2 1 1 A 43 43 LYS H H 43 8.036 7.865 0.171 1
1 444 . 2 1 1 A 43 43 LYS HA H 43 4.155 4.078 0.077 1
1 452 . 2 1 1 A 43 43 LYS C C 43 178.105 178.513 -0.408 1
1 453 . 2 1 1 A 43 43 LYS CA C 43 58.580 58.862 -0.282 1
1 454 . 2 1 1 A 43 43 LYS CB C 43 33.893 32.239 1.654 1
1 458 . 2 1 1 A 43 43 LYS N N 43 116.586 119.219 -2.633 1
1 459 . 2 1 1 A 44 44 SER H H 44 8.314 8.340 -0.026 1
1 460 . 2 1 1 A 44 44 SER HA H 44 4.486 4.526 -0.040 1
1 463 . 2 1 1 A 44 44 SER C C 44 175.458 175.533 -0.075 1
1 464 . 2 1 1 A 44 44 SER CA C 44 59.955 58.792 1.163 1
1 465 . 2 1 1 A 44 44 SER CB C 44 66.025 64.927 1.098 1
1 466 . 2 1 1 A 44 44 SER N N 44 111.140 110.704 0.436 1
1 467 . 2 1 1 A 45 45 GLY H H 45 8.249 8.245 0.004 1
1 468 . 2 1 1 A 45 45 GLY HA2 H 45 3.872 3.951 -0.079 1
1 469 . 2 1 1 A 45 45 GLY HA3 H 45 4.233 3.953 0.280 1
1 470 . 2 1 1 A 45 45 GLY C C 45 174.317 173.861 0.456 1
1 471 . 2 1 1 A 45 45 GLY CA C 45 45.889 44.882 1.007 1
1 472 . 2 1 1 A 45 45 GLY N N 45 112.770 110.770 2.000 1
1 473 . 2 1 1 A 46 46 LEU H H 46 7.800 7.543 0.257 1
1 474 . 2 1 1 A 46 46 LEU HA H 46 4.685 4.601 0.084 1
1 484 . 2 1 1 A 46 46 LEU C C 46 174.366 174.755 -0.389 1
1 485 . 2 1 1 A 46 46 LEU CA C 46 52.235 52.315 -0.080 1
1 486 . 2 1 1 A 46 46 LEU CB C 46 43.285 41.990 1.295 1
1 490 . 2 1 1 A 46 46 LEU N N 46 121.722 121.358 0.364 1
1 491 . 2 1 1 A 47 47 PRO HA H 47 4.542 4.572 -0.030 1
1 497 . 2 1 1 A 47 47 PRO C C 47 178.542 176.592 1.950 1
1 498 . 2 1 1 A 47 47 PRO CA C 47 62.000 62.341 -0.341 1
1 499 . 2 1 1 A 47 47 PRO CB C 47 32.731 33.489 -0.758 1
1 502 . 2 1 1 A 48 48 GLN H H 48 9.124 8.661 0.463 1
1 503 . 2 1 1 A 48 48 GLN HA H 48 3.629 4.095 -0.466 1
1 510 . 2 1 1 A 48 48 GLN C C 48 178.080 177.904 0.176 1
1 511 . 2 1 1 A 48 48 GLN CA C 48 60.872 58.178 2.694 1
1 512 . 2 1 1 A 48 48 GLN CB C 48 28.455 28.457 -0.002 1
1 514 . 2 1 1 A 48 48 GLN N N 48 123.862 120.374 3.488 1
1 516 . 2 1 1 A 49 49 LYS H H 49 8.912 8.017 0.895 1
1 517 . 2 1 1 A 49 49 LYS HA H 49 3.969 4.115 -0.146 1
1 524 . 2 1 1 A 49 49 LYS C C 49 178.954 178.915 0.039 1
1 525 . 2 1 1 A 49 49 LYS CA C 49 59.955 59.327 0.628 1
1 526 . 2 1 1 A 49 49 LYS CB C 49 32.327 32.043 0.284 1
1 530 . 2 1 1 A 49 49 LYS N N 49 116.406 118.789 -2.383 1
1 531 . 2 1 1 A 50 50 VAL H H 50 6.874 7.956 -1.082 1
1 532 . 2 1 1 A 50 50 VAL HA H 50 3.835 3.699 0.136 1
1 540 . 2 1 1 A 50 50 VAL C C 50 178.299 178.414 -0.115 1
1 541 . 2 1 1 A 50 50 VAL CA C 50 65.560 66.142 -0.582 1
1 542 . 2 1 1 A 50 50 VAL CB C 50 32.080 31.622 0.458 1
1 545 . 2 1 1 A 50 50 VAL N N 50 119.065 120.171 -1.106 1
1 546 . 2 1 1 A 51 51 ILE H H 51 7.503 8.022 -0.519 1
1 547 . 2 1 1 A 51 51 ILE HA H 51 3.672 3.661 0.011 1
1 557 . 2 1 1 A 51 51 ILE C C 51 178.007 178.280 -0.273 1
1 558 . 2 1 1 A 51 51 ILE CA C 51 66.019 65.679 0.340 1
1 559 . 2 1 1 A 51 51 ILE CB C 51 38.081 37.652 0.429 1
1 563 . 2 1 1 A 51 51 ILE N N 51 121.254 120.678 0.576 1
1 564 . 2 1 1 A 52 52 LYS H H 52 8.596 7.903 0.693 1
1 565 . 2 1 1 A 52 52 LYS HA H 52 3.984 4.102 -0.118 1
1 572 . 2 1 1 A 52 52 LYS C C 52 179.302 179.130 0.172 1
1 573 . 2 1 1 A 52 52 LYS CA C 52 60.978 59.589 1.389 1
1 574 . 2 1 1 A 52 52 LYS CB C 52 32.574 32.383 0.191 1
1 578 . 2 1 1 A 52 52 LYS N N 52 118.531 119.355 -0.824 1
1 579 . 2 1 1 A 53 53 HIS H H 53 7.952 7.908 0.044 1
1 580 . 2 1 1 A 53 53 HIS HA H 53 4.324 4.434 -0.110 1
1 585 . 2 1 1 A 53 53 HIS C C 53 177.085 176.961 0.124 1
1 586 . 2 1 1 A 53 53 HIS CA C 53 60.026 59.085 0.941 1
1 587 . 2 1 1 A 53 53 HIS CB C 53 30.867 30.350 0.517 1
1 590 . 2 1 1 A 53 53 HIS N N 53 118.728 119.095 -0.367 1
1 591 . 2 1 1 A 54 54 TRP H H 54 8.614 8.253 0.361 1
1 592 . 2 1 1 A 54 54 TRP HA H 54 4.048 4.228 -0.180 1
1 601 . 2 1 1 A 54 54 TRP C C 54 180.144 178.429 1.715 1
1 602 . 2 1 1 A 54 54 TRP CA C 54 62.916 60.974 1.942 1
1 603 . 2 1 1 A 54 54 TRP CB C 54 28.766 29.547 -0.781 1
1 609 . 2 1 1 A 54 54 TRP N N 54 121.845 121.608 0.237 1
1 611 . 2 1 1 A 55 55 PHE H H 55 9.035 8.523 0.512 1
1 612 . 2 1 1 A 55 55 PHE HA H 55 3.786 4.017 -0.231 1
1 620 . 2 1 1 A 55 55 PHE C C 55 178.129 178.056 0.073 1
1 621 . 2 1 1 A 55 55 PHE CA C 55 63.617 62.545 1.072 1
1 622 . 2 1 1 A 55 55 PHE CB C 55 39.260 38.820 0.440 1
1 628 . 2 1 1 A 55 55 PHE N N 55 120.180 118.008 2.172 1
1 629 . 2 1 1 A 56 56 ARG H H 56 7.962 8.353 -0.391 1
1 630 . 2 1 1 A 56 56 ARG HA H 56 4.095 4.031 0.064 1
1 636 . 2 1 1 A 56 56 ARG C C 56 178.444 178.163 0.281 1
1 637 . 2 1 1 A 56 56 ARG CA C 56 59.356 59.582 -0.226 1
1 638 . 2 1 1 A 56 56 ARG CB C 56 30.087 29.804 0.283 1
1 641 . 2 1 1 A 56 56 ARG N N 56 118.370 120.880 -2.510 1
1 642 . 2 1 1 A 57 57 ASN H H 57 8.194 8.374 -0.180 1
1 643 . 2 1 1 A 57 57 ASN HA H 57 4.401 4.324 0.077 1
1 648 . 2 1 1 A 57 57 ASN C C 57 176.866 177.839 -0.973 1
1 649 . 2 1 1 A 57 57 ASN CA C 57 55.497 56.305 -0.808 1
1 650 . 2 1 1 A 57 57 ASN CB C 57 38.640 38.759 -0.119 1
1 651 . 2 1 1 A 57 57 ASN N N 57 117.190 117.692 -0.502 1
1 653 . 2 1 1 A 58 58 THR H H 58 7.999 7.711 0.288 1
1 654 . 2 1 1 A 58 58 THR HA H 58 3.426 3.678 -0.252 1
1 659 . 2 1 1 A 58 58 THR C C 58 175.361 175.940 -0.579 1
1 660 . 2 1 1 A 58 58 THR CA C 58 65.801 66.864 -1.063 1
1 661 . 2 1 1 A 58 58 THR CB C 58 68.064 67.995 0.069 1
1 663 . 2 1 1 A 58 58 THR N N 58 117.859 115.475 2.384 1
1 664 . 2 1 1 A 59 59 LEU H H 59 7.950 8.248 -0.298 1
1 665 . 2 1 1 A 59 59 LEU HA H 59 4.127 4.202 -0.075 1
1 674 . 2 1 1 A 59 59 LEU C C 59 177.886 178.724 -0.838 1
1 675 . 2 1 1 A 59 59 LEU CA C 59 57.628 58.602 -0.974 1
1 676 . 2 1 1 A 59 59 LEU CB C 59 42.296 41.969 0.327 1
1 680 . 2 1 1 A 59 59 LEU N N 59 122.280 121.272 1.008 1
1 681 . 2 1 1 A 60 60 PHE H H 60 7.797 8.777 -0.980 1
1 682 . 2 1 1 A 60 60 PHE HA H 60 4.309 3.997 0.312 1
1 690 . 2 1 1 A 60 60 PHE C C 60 177.085 177.643 -0.558 1
1 691 . 2 1 1 A 60 60 PHE CA C 60 59.920 61.505 -1.585 1
1 692 . 2 1 1 A 60 60 PHE CB C 60 38.918 39.619 -0.701 1
1 698 . 2 1 1 A 60 60 PHE N N 60 118.008 119.625 -1.617 1
1 699 . 2 1 1 A 61 61 LYS H H 61 7.839 8.244 -0.405 1
1 700 . 2 1 1 A 61 61 LYS HA H 61 4.007 4.114 -0.107 1
1 707 . 2 1 1 A 61 61 LYS C C 61 178.032 179.165 -1.133 1
1 708 . 2 1 1 A 61 61 LYS CA C 61 58.016 59.616 -1.600 1
1 709 . 2 1 1 A 61 61 LYS CB C 61 32.657 31.721 0.936 1
1 713 . 2 1 1 A 61 61 LYS N N 61 119.447 119.019 0.428 1
1 714 . 2 1 1 A 62 62 GLU H H 62 8.139 8.459 -0.320 1
1 715 . 2 1 1 A 62 62 GLU HA H 62 4.146 4.204 -0.058 1
1 720 . 2 1 1 A 62 62 GLU C C 62 177.595 178.018 -0.423 1
1 721 . 2 1 1 A 62 62 GLU CA C 62 57.699 58.692 -0.993 1
1 722 . 2 1 1 A 62 62 GLU CB C 62 29.608 29.524 0.084 1
1 724 . 2 1 1 A 62 62 GLU N N 62 119.302 119.159 0.143 1
1 725 . 2 1 1 A 63 63 ARG H H 63 8.015 7.798 0.217 1
1 726 . 2 1 1 A 63 63 ARG HA H 63 4.258 4.183 0.075 1
1 732 . 2 1 1 A 63 63 ARG C C 63 176.769 178.683 -1.914 1
1 733 . 2 1 1 A 63 63 ARG CA C 63 56.677 57.462 -0.785 1
1 734 . 2 1 1 A 63 63 ARG CB C 63 30.514 30.349 0.165 1
1 737 . 2 1 1 A 63 63 ARG N N 63 119.598 119.559 0.039 1
1 738 . 2 1 1 A 64 64 GLN H H 64 8.058 7.897 0.161 1
1 739 . 2 1 1 A 64 64 GLN HA H 64 4.242 4.216 0.026 1
1 745 . 2 1 1 A 64 64 GLN C C 64 176.114 176.140 -0.026 1
1 746 . 2 1 1 A 64 64 GLN CA C 64 56.148 57.823 -1.675 1
1 747 . 2 1 1 A 64 64 GLN CB C 64 29.258 28.143 1.115 1
1 749 . 2 1 1 A 64 64 GLN N N 64 120.027 116.285 3.742 1
1 751 . 2 1 1 A 65 65 SER H H 65 8.172 7.278 0.894 1
1 752 . 2 1 1 A 65 65 SER HA H 65 4.457 4.426 0.031 1
1 755 . 2 1 1 A 65 65 SER C C 65 174.487 174.440 0.047 1
1 756 . 2 1 1 A 65 65 SER CA C 65 58.404 58.177 0.227 1
1 757 . 2 1 1 A 65 65 SER CB C 65 63.965 63.737 0.228 1
1 758 . 2 1 1 A 65 65 SER N N 65 116.070 116.193 -0.123 1
1 759 . 2 1 1 A 66 66 GLY H H 66 8.170 8.767 -0.597 1
1 760 . 2 1 1 A 66 66 GLY HA2 H 66 4.141 4.483 -0.342 1
1 761 . 2 1 1 A 66 66 GLY HA3 H 66 4.082 4.484 -0.402 1
1 762 . 2 1 1 A 66 66 GLY C C 66 171.768 171.944 -0.176 1
1 763 . 2 1 1 A 66 66 GLY CA C 66 44.620 45.396 -0.776 1
1 764 . 2 1 1 A 66 66 GLY N N 66 110.579 113.859 -3.280 1
1 765 . 2 1 1 A 67 67 PRO HA H 67 4.453 4.619 -0.166 1
1 770 . 2 1 1 A 67 67 PRO C C 67 177.400 177.214 0.186 1
1 771 . 2 1 1 A 67 67 PRO CA C 67 63.198 62.467 0.731 1
1 772 . 2 1 1 A 67 67 PRO CB C 67 32.171 33.232 -1.061 1
1 775 . 2 1 1 A 68 68 SER H H 68 8.525 8.769 -0.244 1
1 776 . 2 1 1 A 68 68 SER HA H 68 4.490 4.164 0.326 1
1 779 . 2 1 1 A 68 68 SER C C 68 174.657 175.540 -0.883 1
1 780 . 2 1 1 A 68 68 SER CA C 68 58.589 61.624 -3.035 1
1 781 . 2 1 1 A 68 68 SER CB C 68 63.800 62.827 0.973 1
1 782 . 2 1 1 A 68 68 SER N N 68 116.415 116.581 -0.166 1
1 783 . 2 1 1 A 69 69 SER H H 69 8.316 7.879 0.437 1
1 784 . 2 1 1 A 69 69 SER HA H 69 4.467 4.431 0.036 1
1 787 . 2 1 1 A 69 69 SER C C 69 173.953 174.897 -0.944 1
1 788 . 2 1 1 A 69 69 SER CA C 69 58.369 59.165 -0.796 1
1 789 . 2 1 1 A 69 69 SER CB C 69 64.047 64.205 -0.158 1
1 790 . 2 1 1 A 69 69 SER N N 69 117.832 115.554 2.278 1
1 1 . 3 1 1 A 7 7 GLY H H 7 8.499 9.065 -0.566 1
1 2 . 3 1 1 A 7 7 GLY HA2 H 7 3.948 4.268 -0.320 1
1 3 . 3 1 1 A 7 7 GLY HA3 H 7 3.948 4.268 -0.320 1
1 4 . 3 1 1 A 7 7 GLY C C 7 173.949 171.663 2.286 1
1 5 . 3 1 1 A 7 7 GLY CA C 7 45.325 43.860 1.465 1
1 6 . 3 1 1 A 8 8 LYS H H 8 8.116 8.837 -0.721 1
1 7 . 3 1 1 A 8 8 LYS HA H 8 4.308 4.789 -0.481 1
1 14 . 3 1 1 A 8 8 LYS C C 8 176.504 175.574 0.930 1
1 15 . 3 1 1 A 8 8 LYS CA C 8 56.113 55.151 0.962 1
1 16 . 3 1 1 A 8 8 LYS CB C 8 33.151 33.045 0.106 1
1 20 . 3 1 1 A 8 8 LYS N N 8 120.734 121.460 -0.726 1
1 21 . 3 1 1 A 9 9 ARG H H 9 8.362 8.662 -0.300 1
1 22 . 3 1 1 A 9 9 ARG HA H 9 4.590 4.702 -0.112 1
1 27 . 3 1 1 A 9 9 ARG C C 9 176.479 173.847 2.632 1
1 28 . 3 1 1 A 9 9 ARG CA C 9 53.962 53.161 0.801 1
1 29 . 3 1 1 A 9 9 ARG CB C 9 30.103 30.549 -0.446 1
1 32 . 3 1 1 A 9 9 ARG N N 9 123.609 124.654 -1.045 1
1 33 . 3 1 1 A 10 10 PRO HA H 10 4.419 4.560 -0.141 1
1 39 . 3 1 1 A 10 10 PRO C C 10 176.796 176.891 -0.095 1
1 40 . 3 1 1 A 10 10 PRO CA C 10 62.987 62.229 0.758 1
1 41 . 3 1 1 A 10 10 PRO CB C 10 32.080 32.632 -0.552 1
1 44 . 3 1 1 A 11 11 ARG H H 11 8.517 8.446 0.071 1
1 45 . 3 1 1 A 11 11 ARG C C 11 176.551 175.354 1.197 1
1 46 . 3 1 1 A 11 11 ARG CA C 11 56.077 56.150 -0.073 1
1 47 . 3 1 1 A 11 11 ARG CB C 11 30.762 30.645 0.117 1
1 48 . 3 1 1 A 11 11 ARG N N 11 121.931 119.764 2.167 1
1 49 . 3 1 1 A 12 12 THR HA H 12 4.260 5.078 -0.818 1
1 54 . 3 1 1 A 12 12 THR C C 12 173.904 171.976 1.928 1
1 55 . 3 1 1 A 12 12 THR CA C 12 62.218 60.134 2.084 1
1 56 . 3 1 1 A 12 12 THR CB C 12 69.843 72.031 -2.188 1
1 58 . 3 1 1 A 13 13 ARG H H 13 8.434 8.935 -0.501 1
1 59 . 3 1 1 A 13 13 ARG HA H 13 4.381 5.109 -0.728 1
1 65 . 3 1 1 A 13 13 ARG C C 13 175.336 174.821 0.515 1
1 66 . 3 1 1 A 13 13 ARG CA C 13 55.972 54.503 1.469 1
1 67 . 3 1 1 A 13 13 ARG CB C 13 31.059 33.613 -2.554 1
1 70 . 3 1 1 A 13 13 ARG N N 13 125.368 128.038 -2.670 1
1 71 . 3 1 1 A 14 14 ILE H H 14 8.179 8.745 -0.566 1
1 72 . 3 1 1 A 14 14 ILE HA H 14 4.268 4.650 -0.382 1
1 82 . 3 1 1 A 14 14 ILE C C 14 176.844 175.494 1.350 1
1 83 . 3 1 1 A 14 14 ILE CA C 14 61.647 60.245 1.402 1
1 84 . 3 1 1 A 14 14 ILE CB C 14 39.248 38.815 0.433 1
1 88 . 3 1 1 A 14 14 ILE N N 14 123.951 128.439 -4.488 1
1 89 . 3 1 1 A 15 15 THR H H 15 8.922 8.485 0.437 1
1 90 . 3 1 1 A 15 15 THR HA H 15 4.386 4.798 -0.412 1
1 95 . 3 1 1 A 15 15 THR C C 15 175.263 175.801 -0.538 1
1 96 . 3 1 1 A 15 15 THR CA C 15 61.402 59.980 1.422 1
1 97 . 3 1 1 A 15 15 THR CB C 15 70.796 71.353 -0.557 1
1 99 . 3 1 1 A 15 15 THR N N 15 119.222 118.468 0.754 1
1 100 . 3 1 1 A 16 16 ASP H H 16 8.951 9.113 -0.162 1
1 101 . 3 1 1 A 16 16 ASP HA H 16 4.353 4.380 -0.027 1
1 104 . 3 1 1 A 16 16 ASP C C 16 178.888 177.809 1.079 1
1 105 . 3 1 1 A 16 16 ASP CA C 16 58.016 56.609 1.407 1
1 106 . 3 1 1 A 16 16 ASP CB C 16 40.154 39.871 0.283 1
1 107 . 3 1 1 A 16 16 ASP N N 16 120.852 124.577 -3.725 1
1 108 . 3 1 1 A 17 17 ASP H H 17 8.387 8.141 0.246 1
1 109 . 3 1 1 A 17 17 ASP HA H 17 4.361 4.501 -0.140 1
1 112 . 3 1 1 A 17 17 ASP C C 17 178.815 177.283 1.532 1
1 113 . 3 1 1 A 17 17 ASP CA C 17 57.311 56.395 0.916 1
1 114 . 3 1 1 A 17 17 ASP CB C 17 40.649 40.616 0.033 1
1 115 . 3 1 1 A 17 17 ASP N N 17 118.488 120.077 -1.589 1
1 116 . 3 1 1 A 18 18 GLN H H 18 7.561 7.746 -0.185 1
1 117 . 3 1 1 A 18 18 GLN HA H 18 3.844 4.300 -0.456 1
1 124 . 3 1 1 A 18 18 GLN C C 18 177.988 177.800 0.188 1
1 125 . 3 1 1 A 18 18 GLN CA C 18 58.933 56.937 1.996 1
1 126 . 3 1 1 A 18 18 GLN CB C 18 28.702 29.292 -0.590 1
1 128 . 3 1 1 A 18 18 GLN N N 18 119.852 117.543 2.309 1
1 130 . 3 1 1 A 19 19 LEU H H 19 8.538 8.363 0.175 1
1 131 . 3 1 1 A 19 19 LEU HA H 19 3.549 3.804 -0.255 1
1 141 . 3 1 1 A 19 19 LEU C C 19 178.202 178.168 0.034 1
1 142 . 3 1 1 A 19 19 LEU CA C 19 57.593 57.822 -0.229 1
1 143 . 3 1 1 A 19 19 LEU CB C 19 41.720 41.283 0.437 1
1 147 . 3 1 1 A 19 19 LEU N N 19 120.203 122.548 -2.345 1
1 148 . 3 1 1 A 20 20 ARG H H 20 7.644 7.943 -0.299 1
1 149 . 3 1 1 A 20 20 ARG HA H 20 3.893 4.108 -0.215 1
1 155 . 3 1 1 A 20 20 ARG C C 20 179.148 178.498 0.650 1
1 156 . 3 1 1 A 20 20 ARG CA C 20 59.744 58.703 1.041 1
1 157 . 3 1 1 A 20 20 ARG CB C 20 29.855 30.136 -0.281 1
1 160 . 3 1 1 A 20 20 ARG N N 20 117.442 117.498 -0.056 1
1 161 . 3 1 1 A 21 21 VAL H H 21 7.074 8.027 -0.953 1
1 162 . 3 1 1 A 21 21 VAL HA H 21 3.726 3.794 -0.068 1
1 170 . 3 1 1 A 21 21 VAL C C 21 177.643 178.343 -0.700 1
1 171 . 3 1 1 A 21 21 VAL CA C 21 66.098 66.178 -0.080 1
1 172 . 3 1 1 A 21 21 VAL CB C 21 31.750 31.560 0.190 1
1 175 . 3 1 1 A 21 21 VAL N N 21 118.796 120.527 -1.731 1
1 176 . 3 1 1 A 22 22 LEU H H 22 7.620 7.935 -0.315 1
1 177 . 3 1 1 A 22 22 LEU HA H 22 3.947 4.055 -0.108 1
1 187 . 3 1 1 A 22 22 LEU C C 22 178.979 179.043 -0.064 1
1 188 . 3 1 1 A 22 22 LEU CA C 22 58.369 57.529 0.840 1
1 189 . 3 1 1 A 22 22 LEU CB C 22 38.869 40.615 -1.746 1
1 193 . 3 1 1 A 22 22 LEU N N 22 119.184 120.278 -1.094 1
1 194 . 3 1 1 A 23 23 ARG H H 23 8.451 8.173 0.278 1
1 195 . 3 1 1 A 23 23 ARG HA H 23 4.054 4.223 -0.169 1
1 202 . 3 1 1 A 23 23 ARG C C 23 178.177 179.603 -1.426 1
1 203 . 3 1 1 A 23 23 ARG CA C 23 59.157 59.530 -0.373 1
1 204 . 3 1 1 A 23 23 ARG CB C 23 29.772 30.270 -0.498 1
1 207 . 3 1 1 A 23 23 ARG N N 23 116.571 120.391 -3.820 1
1 208 . 3 1 1 A 24 24 GLN H H 24 7.749 8.384 -0.635 1
1 209 . 3 1 1 A 24 24 GLN HA H 24 4.129 4.015 0.114 1
1 216 . 3 1 1 A 24 24 GLN C C 24 179.100 178.760 0.340 1
1 217 . 3 1 1 A 24 24 GLN CA C 24 58.827 59.047 -0.220 1
1 218 . 3 1 1 A 24 24 GLN CB C 24 28.290 28.316 -0.026 1
1 220 . 3 1 1 A 24 24 GLN N N 24 118.256 118.888 -0.632 1
1 222 . 3 1 1 A 25 25 TYR H H 25 7.902 7.680 0.222 1
1 223 . 3 1 1 A 25 25 TYR HA H 25 4.295 4.297 -0.002 1
1 230 . 3 1 1 A 25 25 TYR C C 25 178.080 178.432 -0.352 1
1 231 . 3 1 1 A 25 25 TYR CA C 25 61.506 60.383 1.123 1
1 232 . 3 1 1 A 25 25 TYR CB C 25 39.001 37.872 1.129 1
1 237 . 3 1 1 A 25 25 TYR N N 25 117.374 120.261 -2.887 1
1 238 . 3 1 1 A 26 26 PHE H H 26 8.935 8.715 0.220 1
1 239 . 3 1 1 A 26 26 PHE HA H 26 4.366 4.568 -0.202 1
1 247 . 3 1 1 A 26 26 PHE C C 26 175.847 176.658 -0.811 1
1 248 . 3 1 1 A 26 26 PHE CA C 26 61.452 61.845 -0.393 1
1 249 . 3 1 1 A 26 26 PHE CB C 26 39.538 39.179 0.359 1
1 255 . 3 1 1 A 27 27 ASP H H 27 8.138 8.300 -0.162 1
1 256 . 3 1 1 A 27 27 ASP HA H 27 4.407 4.475 -0.068 1
1 259 . 3 1 1 A 27 27 ASP C C 27 177.546 178.389 -0.843 1
1 260 . 3 1 1 A 27 27 ASP CA C 27 56.007 57.682 -1.675 1
1 261 . 3 1 1 A 27 27 ASP CB C 27 40.813 41.695 -0.882 1
1 262 . 3 1 1 A 27 27 ASP N N 27 116.760 118.890 -2.130 1
1 263 . 3 1 1 A 28 28 ILE H H 28 7.463 7.145 0.318 1
1 264 . 3 1 1 A 28 28 ILE HA H 28 3.945 3.856 0.089 1
1 274 . 3 1 1 A 28 28 ILE C C 28 176.260 176.178 0.082 1
1 275 . 3 1 1 A 28 28 ILE CA C 28 62.881 64.427 -1.546 1
1 276 . 3 1 1 A 28 28 ILE CB C 28 38.836 37.980 0.856 1
1 280 . 3 1 1 A 28 28 ILE N N 28 119.169 118.755 0.414 1
1 281 . 3 1 1 A 29 29 ASN H H 29 8.214 7.690 0.524 1
1 282 . 3 1 1 A 29 29 ASN HA H 29 4.620 4.946 -0.326 1
1 287 . 3 1 1 A 29 29 ASN C C 29 173.633 175.266 -1.633 1
1 288 . 3 1 1 A 29 29 ASN CA C 29 53.081 51.821 1.260 1
1 289 . 3 1 1 A 29 29 ASN CB C 29 39.330 41.424 -2.094 1
1 290 . 3 1 1 A 29 29 ASN N N 29 117.989 115.790 2.199 1
1 292 . 3 1 1 A 30 30 ASN H H 30 8.383 8.569 -0.186 1
1 293 . 3 1 1 A 30 30 ASN HA H 30 4.231 3.901 0.330 1
1 298 . 3 1 1 A 30 30 ASN C C 30 174.338 175.452 -1.114 1
1 299 . 3 1 1 A 30 30 ASN CA C 30 53.610 56.525 -2.915 1
1 300 . 3 1 1 A 30 30 ASN CB C 30 38.836 38.348 0.488 1
1 301 . 3 1 1 A 30 30 ASN N N 30 120.522 122.197 -1.675 1
1 303 . 3 1 1 A 31 31 SER H H 31 7.941 8.274 -0.333 1
1 304 . 3 1 1 A 31 31 SER HA H 31 4.795 4.690 0.105 1
1 307 . 3 1 1 A 31 31 SER C C 31 174.387 171.851 2.536 1
1 308 . 3 1 1 A 31 31 SER CA C 31 54.843 55.426 -0.583 1
1 309 . 3 1 1 A 31 31 SER CB C 31 63.553 64.090 -0.537 1
1 310 . 3 1 1 A 31 31 SER N N 31 112.907 112.440 0.467 1
1 311 . 3 1 1 A 32 32 PRO HA H 32 4.437 4.458 -0.021 1
1 318 . 3 1 1 A 32 32 PRO C C 32 176.844 176.149 0.695 1
1 319 . 3 1 1 A 32 32 PRO CA C 32 62.180 62.115 0.065 1
1 320 . 3 1 1 A 32 32 PRO CB C 32 32.380 32.103 0.277 1
1 323 . 3 1 1 A 33 33 SER H H 33 8.658 8.294 0.364 1
1 324 . 3 1 1 A 33 33 SER HA H 33 4.462 4.766 -0.304 1
1 327 . 3 1 1 A 33 33 SER C C 33 175.068 175.925 -0.857 1
1 328 . 3 1 1 A 33 33 SER CA C 33 56.539 56.306 0.233 1
1 329 . 3 1 1 A 33 33 SER CB C 33 65.613 66.165 -0.552 1
1 330 . 3 1 1 A 33 33 SER N N 33 117.201 114.318 2.883 1
1 331 . 3 1 1 A 34 34 GLU H H 34 8.983 8.954 0.029 1
1 332 . 3 1 1 A 34 34 GLU HA H 34 3.885 4.006 -0.121 1
1 337 . 3 1 1 A 34 34 GLU C C 34 179.464 178.395 1.069 1
1 338 . 3 1 1 A 34 34 GLU CA C 34 59.990 59.209 0.781 1
1 339 . 3 1 1 A 34 34 GLU CB C 34 29.031 29.072 -0.041 1
1 341 . 3 1 1 A 34 34 GLU N N 34 120.557 120.937 -0.380 1
1 342 . 3 1 1 A 35 35 GLU H H 35 8.672 8.066 0.606 1
1 343 . 3 1 1 A 35 35 GLU HA H 35 3.989 4.083 -0.094 1
1 348 . 3 1 1 A 35 35 GLU C C 35 179.440 178.907 0.533 1
1 349 . 3 1 1 A 35 35 GLU CA C 35 60.096 59.170 0.926 1
1 350 . 3 1 1 A 35 35 GLU CB C 35 28.949 29.685 -0.736 1
1 352 . 3 1 1 A 35 35 GLU N N 35 119.112 119.464 -0.352 1
1 353 . 3 1 1 A 36 36 GLN H H 36 7.705 8.110 -0.405 1
1 354 . 3 1 1 A 36 36 GLN HA H 36 4.012 4.059 -0.047 1
1 360 . 3 1 1 A 36 36 GLN C C 36 178.372 178.199 0.173 1
1 361 . 3 1 1 A 36 36 GLN CA C 36 58.968 58.338 0.630 1
1 362 . 3 1 1 A 36 36 GLN CB C 36 28.290 28.349 -0.059 1
1 364 . 3 1 1 A 36 36 GLN N N 36 120.638 118.890 1.748 1
1 366 . 3 1 1 A 37 37 ILE H H 37 8.308 8.448 -0.140 1
1 367 . 3 1 1 A 37 37 ILE HA H 37 3.474 3.664 -0.190 1
1 377 . 3 1 1 A 37 37 ILE C C 37 177.400 178.682 -1.282 1
1 378 . 3 1 1 A 37 37 ILE CA C 37 65.173 64.588 0.585 1
1 379 . 3 1 1 A 37 37 ILE CB C 37 36.447 37.810 -1.363 1
1 383 . 3 1 1 A 37 37 ILE N N 37 121.515 120.433 1.082 1
1 384 . 3 1 1 A 38 38 LYS H H 38 7.808 7.875 -0.067 1
1 385 . 3 1 1 A 38 38 LYS HA H 38 3.803 4.004 -0.201 1
1 393 . 3 1 1 A 38 38 LYS C C 38 178.153 178.930 -0.777 1
1 394 . 3 1 1 A 38 38 LYS CA C 38 60.096 59.287 0.809 1
1 395 . 3 1 1 A 38 38 LYS CB C 38 31.833 32.532 -0.699 1
1 399 . 3 1 1 A 38 38 LYS N N 38 120.672 122.477 -1.805 1
1 400 . 3 1 1 A 39 39 GLU H H 39 7.719 8.065 -0.346 1
1 401 . 3 1 1 A 39 39 GLU HA H 39 4.089 4.053 0.036 1
1 406 . 3 1 1 A 39 39 GLU C C 39 179.278 178.428 0.850 1
1 407 . 3 1 1 A 39 39 GLU CA C 39 59.522 59.110 0.412 1
1 408 . 3 1 1 A 39 39 GLU CB C 39 29.773 28.638 1.135 1
1 410 . 3 1 1 A 39 39 GLU N N 39 119.510 117.595 1.915 1
1 411 . 3 1 1 A 40 40 MET H H 40 8.167 8.403 -0.236 1
1 412 . 3 1 1 A 40 40 MET HA H 40 3.599 4.220 -0.621 1
1 420 . 3 1 1 A 40 40 MET C C 40 179.813 178.335 1.478 1
1 421 . 3 1 1 A 40 40 MET CA C 40 59.533 58.485 1.048 1
1 422 . 3 1 1 A 40 40 MET CB C 40 35.410 33.010 2.400 1
1 425 . 3 1 1 A 40 40 MET N N 40 117.312 118.387 -1.075 1
1 426 . 3 1 1 A 41 41 ALA H H 41 8.689 8.016 0.673 1
1 427 . 3 1 1 A 41 41 ALA HA H 41 4.102 4.402 -0.300 1
1 431 . 3 1 1 A 41 41 ALA C C 41 179.610 178.910 0.700 1
1 432 . 3 1 1 A 41 41 ALA CA C 41 55.866 54.899 0.967 1
1 433 . 3 1 1 A 41 41 ALA CB C 41 18.609 18.507 0.102 1
1 434 . 3 1 1 A 41 41 ALA N N 41 128.620 121.439 7.181 1
1 435 . 3 1 1 A 42 42 ASP H H 42 8.324 7.136 1.188 1
1 436 . 3 1 1 A 42 42 ASP HA H 42 4.306 4.629 -0.323 1
1 439 . 3 1 1 A 42 42 ASP C C 42 179.003 178.462 0.541 1
1 440 . 3 1 1 A 42 42 ASP CA C 42 57.241 56.233 1.008 1
1 441 . 3 1 1 A 42 42 ASP CB C 42 40.319 41.525 -1.206 1
1 442 . 3 1 1 A 42 42 ASP N N 42 120.159 118.077 2.082 1
1 443 . 3 1 1 A 43 43 LYS H H 43 8.036 7.775 0.261 1
1 444 . 3 1 1 A 43 43 LYS HA H 43 4.155 4.050 0.105 1
1 452 . 3 1 1 A 43 43 LYS C C 43 178.105 177.943 0.162 1
1 453 . 3 1 1 A 43 43 LYS CA C 43 58.580 58.965 -0.385 1
1 454 . 3 1 1 A 43 43 LYS CB C 43 33.893 32.380 1.513 1
1 458 . 3 1 1 A 43 43 LYS N N 43 116.586 118.931 -2.345 1
1 459 . 3 1 1 A 44 44 SER H H 44 8.314 8.073 0.241 1
1 460 . 3 1 1 A 44 44 SER HA H 44 4.486 4.586 -0.100 1
1 463 . 3 1 1 A 44 44 SER C C 44 175.458 175.475 -0.017 1
1 464 . 3 1 1 A 44 44 SER CA C 44 59.955 58.658 1.297 1
1 465 . 3 1 1 A 44 44 SER CB C 44 66.025 65.214 0.811 1
1 466 . 3 1 1 A 44 44 SER N N 44 111.140 110.544 0.596 1
1 467 . 3 1 1 A 45 45 GLY H H 45 8.249 8.108 0.141 1
1 468 . 3 1 1 A 45 45 GLY HA2 H 45 3.872 4.049 -0.177 1
1 469 . 3 1 1 A 45 45 GLY HA3 H 45 4.233 4.051 0.182 1
1 470 . 3 1 1 A 45 45 GLY C C 45 174.317 174.016 0.301 1
1 471 . 3 1 1 A 45 45 GLY CA C 45 45.889 44.861 1.028 1
1 472 . 3 1 1 A 45 45 GLY N N 45 112.770 110.711 2.059 1
1 473 . 3 1 1 A 46 46 LEU H H 46 7.800 7.595 0.205 1
1 474 . 3 1 1 A 46 46 LEU HA H 46 4.685 4.586 0.099 1
1 484 . 3 1 1 A 46 46 LEU C C 46 174.366 174.715 -0.349 1
1 485 . 3 1 1 A 46 46 LEU CA C 46 52.235 52.126 0.109 1
1 486 . 3 1 1 A 46 46 LEU CB C 46 43.285 41.748 1.537 1
1 490 . 3 1 1 A 46 46 LEU N N 46 121.722 121.720 0.002 1
1 491 . 3 1 1 A 47 47 PRO HA H 47 4.542 4.582 -0.040 1
1 497 . 3 1 1 A 47 47 PRO C C 47 178.542 176.598 1.944 1
1 498 . 3 1 1 A 47 47 PRO CA C 47 62.000 62.373 -0.373 1
1 499 . 3 1 1 A 47 47 PRO CB C 47 32.731 33.426 -0.695 1
1 502 . 3 1 1 A 48 48 GLN H H 48 9.124 8.703 0.421 1
1 503 . 3 1 1 A 48 48 GLN HA H 48 3.629 4.200 -0.571 1
1 510 . 3 1 1 A 48 48 GLN C C 48 178.080 177.265 0.815 1
1 511 . 3 1 1 A 48 48 GLN CA C 48 60.872 57.708 3.164 1
1 512 . 3 1 1 A 48 48 GLN CB C 48 28.455 28.437 0.018 1
1 514 . 3 1 1 A 48 48 GLN N N 48 123.862 120.195 3.667 1
1 516 . 3 1 1 A 49 49 LYS H H 49 8.912 8.147 0.765 1
1 517 . 3 1 1 A 49 49 LYS HA H 49 3.969 4.157 -0.188 1
1 524 . 3 1 1 A 49 49 LYS C C 49 178.954 178.799 0.155 1
1 525 . 3 1 1 A 49 49 LYS CA C 49 59.955 59.191 0.764 1
1 526 . 3 1 1 A 49 49 LYS CB C 49 32.327 32.525 -0.198 1
1 530 . 3 1 1 A 49 49 LYS N N 49 116.406 117.960 -1.554 1
1 531 . 3 1 1 A 50 50 VAL H H 50 6.874 8.028 -1.154 1
1 532 . 3 1 1 A 50 50 VAL HA H 50 3.835 3.638 0.197 1
1 540 . 3 1 1 A 50 50 VAL C C 50 178.299 178.509 -0.210 1
1 541 . 3 1 1 A 50 50 VAL CA C 50 65.560 66.195 -0.635 1
1 542 . 3 1 1 A 50 50 VAL CB C 50 32.080 31.592 0.488 1
1 545 . 3 1 1 A 50 50 VAL N N 50 119.065 120.328 -1.263 1
1 546 . 3 1 1 A 51 51 ILE H H 51 7.503 8.007 -0.504 1
1 547 . 3 1 1 A 51 51 ILE HA H 51 3.672 3.722 -0.050 1
1 557 . 3 1 1 A 51 51 ILE C C 51 178.007 178.197 -0.190 1
1 558 . 3 1 1 A 51 51 ILE CA C 51 66.019 65.634 0.385 1
1 559 . 3 1 1 A 51 51 ILE CB C 51 38.081 37.616 0.465 1
1 563 . 3 1 1 A 51 51 ILE N N 51 121.254 121.058 0.196 1
1 564 . 3 1 1 A 52 52 LYS H H 52 8.596 7.642 0.954 1
1 565 . 3 1 1 A 52 52 LYS HA H 52 3.984 4.103 -0.119 1
1 572 . 3 1 1 A 52 52 LYS C C 52 179.302 178.982 0.320 1
1 573 . 3 1 1 A 52 52 LYS CA C 52 60.978 59.817 1.161 1
1 574 . 3 1 1 A 52 52 LYS CB C 52 32.574 32.376 0.198 1
1 578 . 3 1 1 A 52 52 LYS N N 52 118.531 119.306 -0.775 1
1 579 . 3 1 1 A 53 53 HIS H H 53 7.952 7.872 0.080 1
1 580 . 3 1 1 A 53 53 HIS HA H 53 4.324 4.415 -0.091 1
1 585 . 3 1 1 A 53 53 HIS C C 53 177.085 176.996 0.089 1
1 586 . 3 1 1 A 53 53 HIS CA C 53 60.026 59.215 0.811 1
1 587 . 3 1 1 A 53 53 HIS CB C 53 30.867 30.223 0.644 1
1 590 . 3 1 1 A 53 53 HIS N N 53 118.728 119.026 -0.298 1
1 591 . 3 1 1 A 54 54 TRP H H 54 8.614 8.352 0.262 1
1 592 . 3 1 1 A 54 54 TRP HA H 54 4.048 4.415 -0.367 1
1 601 . 3 1 1 A 54 54 TRP C C 54 180.144 178.518 1.626 1
1 602 . 3 1 1 A 54 54 TRP CA C 54 62.916 61.115 1.801 1
1 603 . 3 1 1 A 54 54 TRP CB C 54 28.766 29.753 -0.987 1
1 609 . 3 1 1 A 54 54 TRP N N 54 121.845 121.726 0.119 1
1 611 . 3 1 1 A 55 55 PHE H H 55 9.035 8.533 0.502 1
1 612 . 3 1 1 A 55 55 PHE HA H 55 3.786 4.142 -0.356 1
1 620 . 3 1 1 A 55 55 PHE C C 55 178.129 178.373 -0.244 1
1 621 . 3 1 1 A 55 55 PHE CA C 55 63.617 62.563 1.054 1
1 622 . 3 1 1 A 55 55 PHE CB C 55 39.260 39.084 0.176 1
1 628 . 3 1 1 A 55 55 PHE N N 55 120.180 118.217 1.963 1
1 629 . 3 1 1 A 56 56 ARG H H 56 7.962 8.260 -0.298 1
1 630 . 3 1 1 A 56 56 ARG HA H 56 4.095 4.095 0.000 1
1 636 . 3 1 1 A 56 56 ARG C C 56 178.444 178.998 -0.554 1
1 637 . 3 1 1 A 56 56 ARG CA C 56 59.356 59.728 -0.372 1
1 638 . 3 1 1 A 56 56 ARG CB C 56 30.087 30.069 0.018 1
1 641 . 3 1 1 A 56 56 ARG N N 56 118.370 118.788 -0.418 1
1 642 . 3 1 1 A 57 57 ASN H H 57 8.194 8.456 -0.262 1
1 643 . 3 1 1 A 57 57 ASN HA H 57 4.401 4.183 0.218 1
1 648 . 3 1 1 A 57 57 ASN C C 57 176.866 177.908 -1.042 1
1 649 . 3 1 1 A 57 57 ASN CA C 57 55.497 56.337 -0.840 1
1 650 . 3 1 1 A 57 57 ASN CB C 57 38.640 37.499 1.141 1
1 651 . 3 1 1 A 57 57 ASN N N 57 117.190 118.336 -1.146 1
1 653 . 3 1 1 A 58 58 THR H H 58 7.999 7.578 0.421 1
1 654 . 3 1 1 A 58 58 THR HA H 58 3.426 3.750 -0.324 1
1 659 . 3 1 1 A 58 58 THR C C 58 175.361 175.784 -0.423 1
1 660 . 3 1 1 A 58 58 THR CA C 58 65.801 66.457 -0.656 1
1 661 . 3 1 1 A 58 58 THR CB C 58 68.064 68.155 -0.091 1
1 663 . 3 1 1 A 58 58 THR N N 58 117.859 115.306 2.553 1
1 664 . 3 1 1 A 59 59 LEU H H 59 7.950 8.590 -0.640 1
1 665 . 3 1 1 A 59 59 LEU HA H 59 4.127 4.225 -0.098 1
1 674 . 3 1 1 A 59 59 LEU C C 59 177.886 178.858 -0.972 1
1 675 . 3 1 1 A 59 59 LEU CA C 59 57.628 58.677 -1.049 1
1 676 . 3 1 1 A 59 59 LEU CB C 59 42.296 42.034 0.262 1
1 680 . 3 1 1 A 59 59 LEU N N 59 122.280 121.545 0.735 1
1 681 . 3 1 1 A 60 60 PHE H H 60 7.797 8.900 -1.103 1
1 682 . 3 1 1 A 60 60 PHE HA H 60 4.309 3.994 0.315 1
1 690 . 3 1 1 A 60 60 PHE C C 60 177.085 177.153 -0.068 1
1 691 . 3 1 1 A 60 60 PHE CA C 60 59.920 61.917 -1.997 1
1 692 . 3 1 1 A 60 60 PHE CB C 60 38.918 39.367 -0.449 1
1 698 . 3 1 1 A 60 60 PHE N N 60 118.008 119.631 -1.623 1
1 699 . 3 1 1 A 61 61 LYS H H 61 7.839 8.329 -0.490 1
1 700 . 3 1 1 A 61 61 LYS HA H 61 4.007 4.175 -0.168 1
1 707 . 3 1 1 A 61 61 LYS C C 61 178.032 178.613 -0.581 1
1 708 . 3 1 1 A 61 61 LYS CA C 61 58.016 58.945 -0.929 1
1 709 . 3 1 1 A 61 61 LYS CB C 61 32.657 32.065 0.592 1
1 713 . 3 1 1 A 61 61 LYS N N 61 119.447 117.441 2.006 1
1 714 . 3 1 1 A 62 62 GLU H H 62 8.139 8.646 -0.507 1
1 715 . 3 1 1 A 62 62 GLU HA H 62 4.146 4.274 -0.128 1
1 720 . 3 1 1 A 62 62 GLU C C 62 177.595 179.592 -1.997 1
1 721 . 3 1 1 A 62 62 GLU CA C 62 57.699 59.009 -1.310 1
1 722 . 3 1 1 A 62 62 GLU CB C 62 29.608 29.033 0.575 1
1 724 . 3 1 1 A 62 62 GLU N N 62 119.302 118.822 0.480 1
1 725 . 3 1 1 A 63 63 ARG H H 63 8.015 7.836 0.179 1
1 726 . 3 1 1 A 63 63 ARG HA H 63 4.258 4.101 0.157 1
1 732 . 3 1 1 A 63 63 ARG C C 63 176.769 178.760 -1.991 1
1 733 . 3 1 1 A 63 63 ARG CA C 63 56.677 59.105 -2.428 1
1 734 . 3 1 1 A 63 63 ARG CB C 63 30.514 30.314 0.200 1
1 737 . 3 1 1 A 63 63 ARG N N 63 119.598 120.108 -0.510 1
1 738 . 3 1 1 A 64 64 GLN H H 64 8.058 7.858 0.200 1
1 739 . 3 1 1 A 64 64 GLN HA H 64 4.242 4.101 0.141 1
1 745 . 3 1 1 A 64 64 GLN C C 64 176.114 178.158 -2.044 1
1 746 . 3 1 1 A 64 64 GLN CA C 64 56.148 58.481 -2.333 1
1 747 . 3 1 1 A 64 64 GLN CB C 64 29.258 28.058 1.200 1
1 749 . 3 1 1 A 64 64 GLN N N 64 120.027 118.787 1.240 1
1 751 . 3 1 1 A 65 65 SER H H 65 8.172 7.915 0.257 1
1 752 . 3 1 1 A 65 65 SER HA H 65 4.457 4.332 0.125 1
1 755 . 3 1 1 A 65 65 SER C C 65 174.487 174.477 0.010 1
1 756 . 3 1 1 A 65 65 SER CA C 65 58.404 59.789 -1.385 1
1 757 . 3 1 1 A 65 65 SER CB C 65 63.965 64.248 -0.283 1
1 758 . 3 1 1 A 65 65 SER N N 65 116.070 113.336 2.734 1
1 759 . 3 1 1 A 66 66 GLY H H 66 8.170 7.542 0.628 1
1 760 . 3 1 1 A 66 66 GLY HA2 H 66 4.141 4.143 -0.002 1
1 761 . 3 1 1 A 66 66 GLY HA3 H 66 4.082 4.144 -0.062 1
1 762 . 3 1 1 A 66 66 GLY C C 66 171.768 173.618 -1.850 1
1 763 . 3 1 1 A 66 66 GLY CA C 66 44.620 44.475 0.145 1
1 764 . 3 1 1 A 66 66 GLY N N 66 110.579 109.001 1.578 1
1 765 . 3 1 1 A 67 67 PRO HA H 67 4.453 4.489 -0.036 1
1 770 . 3 1 1 A 67 67 PRO C C 67 177.400 177.043 0.357 1
1 771 . 3 1 1 A 67 67 PRO CA C 67 63.198 62.878 0.320 1
1 772 . 3 1 1 A 67 67 PRO CB C 67 32.171 31.869 0.302 1
1 775 . 3 1 1 A 68 68 SER H H 68 8.525 8.359 0.166 1
1 776 . 3 1 1 A 68 68 SER HA H 68 4.490 4.398 0.092 1
1 779 . 3 1 1 A 68 68 SER C C 68 174.657 174.324 0.333 1
1 780 . 3 1 1 A 68 68 SER CA C 68 58.589 58.671 -0.082 1
1 781 . 3 1 1 A 68 68 SER CB C 68 63.800 63.554 0.246 1
1 782 . 3 1 1 A 68 68 SER N N 68 116.415 115.957 0.458 1
1 783 . 3 1 1 A 69 69 SER H H 69 8.316 8.577 -0.261 1
1 784 . 3 1 1 A 69 69 SER HA H 69 4.467 4.485 -0.018 1
1 787 . 3 1 1 A 69 69 SER C C 69 173.953 175.292 -1.339 1
1 788 . 3 1 1 A 69 69 SER CA C 69 58.369 59.098 -0.729 1
1 789 . 3 1 1 A 69 69 SER CB C 69 64.047 63.132 0.915 1
1 790 . 3 1 1 A 69 69 SER N N 69 117.832 118.179 -0.347 1
1 1 . 4 1 1 A 7 7 GLY H H 7 8.499 8.183 0.316 1
1 2 . 4 1 1 A 7 7 GLY HA2 H 7 3.948 4.168 -0.220 1
1 3 . 4 1 1 A 7 7 GLY HA3 H 7 3.948 4.168 -0.220 1
1 4 . 4 1 1 A 7 7 GLY C C 7 173.949 172.155 1.794 1
1 5 . 4 1 1 A 7 7 GLY CA C 7 45.325 46.202 -0.877 1
1 6 . 4 1 1 A 8 8 LYS H H 8 8.116 8.252 -0.136 1
1 7 . 4 1 1 A 8 8 LYS HA H 8 4.308 4.343 -0.035 1
1 14 . 4 1 1 A 8 8 LYS C C 8 176.504 175.798 0.706 1
1 15 . 4 1 1 A 8 8 LYS CA C 8 56.113 56.478 -0.365 1
1 16 . 4 1 1 A 8 8 LYS CB C 8 33.151 33.049 0.102 1
1 20 . 4 1 1 A 8 8 LYS N N 8 120.734 124.111 -3.377 1
1 21 . 4 1 1 A 9 9 ARG H H 9 8.362 8.788 -0.426 1
1 22 . 4 1 1 A 9 9 ARG HA H 9 4.590 5.023 -0.433 1
1 27 . 4 1 1 A 9 9 ARG C C 9 176.479 173.546 2.933 1
1 28 . 4 1 1 A 9 9 ARG CA C 9 53.962 53.624 0.338 1
1 29 . 4 1 1 A 9 9 ARG CB C 9 30.103 33.472 -3.369 1
1 32 . 4 1 1 A 9 9 ARG N N 9 123.609 122.854 0.755 1
1 33 . 4 1 1 A 10 10 PRO HA H 10 4.419 4.584 -0.165 1
1 39 . 4 1 1 A 10 10 PRO C C 10 176.796 175.353 1.443 1
1 40 . 4 1 1 A 10 10 PRO CA C 10 62.987 62.609 0.378 1
1 41 . 4 1 1 A 10 10 PRO CB C 10 32.080 32.649 -0.569 1
1 44 . 4 1 1 A 11 11 ARG H H 11 8.517 8.500 0.017 1
1 45 . 4 1 1 A 11 11 ARG C C 11 176.551 176.035 0.516 1
1 46 . 4 1 1 A 11 11 ARG CA C 11 56.077 54.675 1.402 1
1 47 . 4 1 1 A 11 11 ARG CB C 11 30.762 33.225 -2.463 1
1 48 . 4 1 1 A 11 11 ARG N N 11 121.931 121.005 0.926 1
1 49 . 4 1 1 A 12 12 THR HA H 12 4.260 4.147 0.113 1
1 54 . 4 1 1 A 12 12 THR C C 12 173.904 174.843 -0.939 1
1 55 . 4 1 1 A 12 12 THR CA C 12 62.218 64.066 -1.848 1
1 56 . 4 1 1 A 12 12 THR CB C 12 69.843 68.743 1.100 1
1 58 . 4 1 1 A 13 13 ARG H H 13 8.434 8.430 0.004 1
1 59 . 4 1 1 A 13 13 ARG HA H 13 4.381 4.349 0.032 1
1 65 . 4 1 1 A 13 13 ARG C C 13 175.336 176.035 -0.699 1
1 66 . 4 1 1 A 13 13 ARG CA C 13 55.972 56.544 -0.572 1
1 67 . 4 1 1 A 13 13 ARG CB C 13 31.059 30.738 0.321 1
1 70 . 4 1 1 A 13 13 ARG N N 13 125.368 127.961 -2.593 1
1 71 . 4 1 1 A 14 14 ILE H H 14 8.179 8.286 -0.107 1
1 72 . 4 1 1 A 14 14 ILE HA H 14 4.268 4.663 -0.395 1
1 82 . 4 1 1 A 14 14 ILE C C 14 176.844 175.238 1.606 1
1 83 . 4 1 1 A 14 14 ILE CA C 14 61.647 60.357 1.290 1
1 84 . 4 1 1 A 14 14 ILE CB C 14 39.248 39.565 -0.317 1
1 88 . 4 1 1 A 14 14 ILE N N 14 123.951 124.803 -0.852 1
1 89 . 4 1 1 A 15 15 THR H H 15 8.922 8.489 0.433 1
1 90 . 4 1 1 A 15 15 THR HA H 15 4.386 4.750 -0.364 1
1 95 . 4 1 1 A 15 15 THR C C 15 175.263 174.851 0.412 1
1 96 . 4 1 1 A 15 15 THR CA C 15 61.402 59.910 1.492 1
1 97 . 4 1 1 A 15 15 THR CB C 15 70.796 71.404 -0.608 1
1 99 . 4 1 1 A 15 15 THR N N 15 119.222 119.816 -0.594 1
1 100 . 4 1 1 A 16 16 ASP H H 16 8.951 8.963 -0.012 1
1 101 . 4 1 1 A 16 16 ASP HA H 16 4.353 4.349 0.004 1
1 104 . 4 1 1 A 16 16 ASP C C 16 178.888 177.802 1.086 1
1 105 . 4 1 1 A 16 16 ASP CA C 16 58.016 57.069 0.947 1
1 106 . 4 1 1 A 16 16 ASP CB C 16 40.154 40.304 -0.150 1
1 107 . 4 1 1 A 16 16 ASP N N 16 120.852 126.319 -5.467 1
1 108 . 4 1 1 A 17 17 ASP H H 17 8.387 8.208 0.179 1
1 109 . 4 1 1 A 17 17 ASP HA H 17 4.361 4.484 -0.123 1
1 112 . 4 1 1 A 17 17 ASP C C 17 178.815 177.252 1.563 1
1 113 . 4 1 1 A 17 17 ASP CA C 17 57.311 56.464 0.847 1
1 114 . 4 1 1 A 17 17 ASP CB C 17 40.649 40.642 0.007 1
1 115 . 4 1 1 A 17 17 ASP N N 17 118.488 118.908 -0.420 1
1 116 . 4 1 1 A 18 18 GLN H H 18 7.561 7.777 -0.216 1
1 117 . 4 1 1 A 18 18 GLN HA H 18 3.844 4.266 -0.422 1
1 124 . 4 1 1 A 18 18 GLN C C 18 177.988 177.968 0.020 1
1 125 . 4 1 1 A 18 18 GLN CA C 18 58.933 57.067 1.866 1
1 126 . 4 1 1 A 18 18 GLN CB C 18 28.702 29.344 -0.642 1
1 128 . 4 1 1 A 18 18 GLN N N 18 119.852 118.097 1.755 1
1 130 . 4 1 1 A 19 19 LEU H H 19 8.538 8.165 0.373 1
1 131 . 4 1 1 A 19 19 LEU HA H 19 3.549 3.685 -0.136 1
1 141 . 4 1 1 A 19 19 LEU C C 19 178.202 178.075 0.127 1
1 142 . 4 1 1 A 19 19 LEU CA C 19 57.593 57.918 -0.325 1
1 143 . 4 1 1 A 19 19 LEU CB C 19 41.720 41.644 0.076 1
1 147 . 4 1 1 A 19 19 LEU N N 19 120.203 121.876 -1.673 1
1 148 . 4 1 1 A 20 20 ARG H H 20 7.644 7.814 -0.170 1
1 149 . 4 1 1 A 20 20 ARG HA H 20 3.893 4.086 -0.193 1
1 155 . 4 1 1 A 20 20 ARG C C 20 179.148 178.310 0.838 1
1 156 . 4 1 1 A 20 20 ARG CA C 20 59.744 58.529 1.215 1
1 157 . 4 1 1 A 20 20 ARG CB C 20 29.855 30.137 -0.282 1
1 160 . 4 1 1 A 20 20 ARG N N 20 117.442 117.510 -0.068 1
1 161 . 4 1 1 A 21 21 VAL H H 21 7.074 7.897 -0.823 1
1 162 . 4 1 1 A 21 21 VAL HA H 21 3.726 3.771 -0.045 1
1 170 . 4 1 1 A 21 21 VAL C C 21 177.643 178.210 -0.567 1
1 171 . 4 1 1 A 21 21 VAL CA C 21 66.098 65.899 0.199 1
1 172 . 4 1 1 A 21 21 VAL CB C 21 31.750 31.574 0.176 1
1 175 . 4 1 1 A 21 21 VAL N N 21 118.796 120.789 -1.993 1
1 176 . 4 1 1 A 22 22 LEU H H 22 7.620 8.030 -0.410 1
1 177 . 4 1 1 A 22 22 LEU HA H 22 3.947 3.982 -0.035 1
1 187 . 4 1 1 A 22 22 LEU C C 22 178.979 178.697 0.282 1
1 188 . 4 1 1 A 22 22 LEU CA C 22 58.369 56.477 1.892 1
1 189 . 4 1 1 A 22 22 LEU CB C 22 38.869 41.124 -2.255 1
1 193 . 4 1 1 A 22 22 LEU N N 22 119.184 120.089 -0.905 1
1 194 . 4 1 1 A 23 23 ARG H H 23 8.451 8.148 0.303 1
1 195 . 4 1 1 A 23 23 ARG HA H 23 4.054 4.265 -0.211 1
1 202 . 4 1 1 A 23 23 ARG C C 23 178.177 179.062 -0.885 1
1 203 . 4 1 1 A 23 23 ARG CA C 23 59.157 59.496 -0.339 1
1 204 . 4 1 1 A 23 23 ARG CB C 23 29.772 30.481 -0.709 1
1 207 . 4 1 1 A 23 23 ARG N N 23 116.571 120.120 -3.549 1
1 208 . 4 1 1 A 24 24 GLN H H 24 7.749 8.436 -0.687 1
1 209 . 4 1 1 A 24 24 GLN HA H 24 4.129 4.134 -0.005 1
1 216 . 4 1 1 A 24 24 GLN C C 24 179.100 178.646 0.454 1
1 217 . 4 1 1 A 24 24 GLN CA C 24 58.827 59.141 -0.314 1
1 218 . 4 1 1 A 24 24 GLN CB C 24 28.290 28.341 -0.051 1
1 220 . 4 1 1 A 24 24 GLN N N 24 118.256 119.030 -0.774 1
1 222 . 4 1 1 A 25 25 TYR H H 25 7.902 8.230 -0.328 1
1 223 . 4 1 1 A 25 25 TYR HA H 25 4.295 4.418 -0.123 1
1 230 . 4 1 1 A 25 25 TYR C C 25 178.080 178.375 -0.295 1
1 231 . 4 1 1 A 25 25 TYR CA C 25 61.506 60.980 0.526 1
1 232 . 4 1 1 A 25 25 TYR CB C 25 39.001 38.447 0.554 1
1 237 . 4 1 1 A 25 25 TYR N N 25 117.374 120.442 -3.068 1
1 238 . 4 1 1 A 26 26 PHE H H 26 8.935 8.314 0.621 1
1 239 . 4 1 1 A 26 26 PHE HA H 26 4.366 4.632 -0.266 1
1 247 . 4 1 1 A 26 26 PHE C C 26 175.847 176.764 -0.917 1
1 248 . 4 1 1 A 26 26 PHE CA C 26 61.452 62.260 -0.808 1
1 249 . 4 1 1 A 26 26 PHE CB C 26 39.538 39.349 0.189 1
1 255 . 4 1 1 A 27 27 ASP H H 27 8.138 8.347 -0.209 1
1 256 . 4 1 1 A 27 27 ASP HA H 27 4.407 4.475 -0.068 1
1 259 . 4 1 1 A 27 27 ASP C C 27 177.546 178.567 -1.021 1
1 260 . 4 1 1 A 27 27 ASP CA C 27 56.007 57.553 -1.546 1
1 261 . 4 1 1 A 27 27 ASP CB C 27 40.813 41.744 -0.931 1
1 262 . 4 1 1 A 27 27 ASP N N 27 116.760 119.103 -2.343 1
1 263 . 4 1 1 A 28 28 ILE H H 28 7.463 7.267 0.196 1
1 264 . 4 1 1 A 28 28 ILE HA H 28 3.945 3.839 0.106 1
1 274 . 4 1 1 A 28 28 ILE C C 28 176.260 176.362 -0.102 1
1 275 . 4 1 1 A 28 28 ILE CA C 28 62.881 64.378 -1.497 1
1 276 . 4 1 1 A 28 28 ILE CB C 28 38.836 38.030 0.806 1
1 280 . 4 1 1 A 28 28 ILE N N 28 119.169 118.771 0.398 1
1 281 . 4 1 1 A 29 29 ASN H H 29 8.214 8.378 -0.164 1
1 282 . 4 1 1 A 29 29 ASN HA H 29 4.620 4.965 -0.345 1
1 287 . 4 1 1 A 29 29 ASN C C 29 173.633 175.515 -1.882 1
1 288 . 4 1 1 A 29 29 ASN CA C 29 53.081 52.920 0.161 1
1 289 . 4 1 1 A 29 29 ASN CB C 29 39.330 40.651 -1.321 1
1 290 . 4 1 1 A 29 29 ASN N N 29 117.989 116.668 1.321 1
1 292 . 4 1 1 A 30 30 ASN H H 30 8.383 8.576 -0.193 1
1 293 . 4 1 1 A 30 30 ASN HA H 30 4.231 3.936 0.295 1
1 298 . 4 1 1 A 30 30 ASN C C 30 174.338 174.762 -0.424 1
1 299 . 4 1 1 A 30 30 ASN CA C 30 53.610 56.610 -3.000 1
1 300 . 4 1 1 A 30 30 ASN CB C 30 38.836 38.324 0.512 1
1 301 . 4 1 1 A 30 30 ASN N N 30 120.522 122.647 -2.125 1
1 303 . 4 1 1 A 31 31 SER H H 31 7.941 7.843 0.098 1
1 304 . 4 1 1 A 31 31 SER HA H 31 4.795 4.756 0.039 1
1 307 . 4 1 1 A 31 31 SER C C 31 174.387 172.237 2.150 1
1 308 . 4 1 1 A 31 31 SER CA C 31 54.843 54.552 0.291 1
1 309 . 4 1 1 A 31 31 SER CB C 31 63.553 65.289 -1.736 1
1 310 . 4 1 1 A 31 31 SER N N 31 112.907 112.252 0.655 1
1 311 . 4 1 1 A 32 32 PRO HA H 32 4.437 4.649 -0.212 1
1 318 . 4 1 1 A 32 32 PRO C C 32 176.844 176.198 0.646 1
1 319 . 4 1 1 A 32 32 PRO CA C 32 62.180 62.156 0.024 1
1 320 . 4 1 1 A 32 32 PRO CB C 32 32.380 32.237 0.143 1
1 323 . 4 1 1 A 33 33 SER H H 33 8.658 8.365 0.293 1
1 324 . 4 1 1 A 33 33 SER HA H 33 4.462 4.782 -0.320 1
1 327 . 4 1 1 A 33 33 SER C C 33 175.068 175.834 -0.766 1
1 328 . 4 1 1 A 33 33 SER CA C 33 56.539 56.321 0.218 1
1 329 . 4 1 1 A 33 33 SER CB C 33 65.613 66.194 -0.581 1
1 330 . 4 1 1 A 33 33 SER N N 33 117.201 114.477 2.724 1
1 331 . 4 1 1 A 34 34 GLU H H 34 8.983 9.076 -0.093 1
1 332 . 4 1 1 A 34 34 GLU HA H 34 3.885 3.950 -0.065 1
1 337 . 4 1 1 A 34 34 GLU C C 34 179.464 178.231 1.233 1
1 338 . 4 1 1 A 34 34 GLU CA C 34 59.990 59.833 0.157 1
1 339 . 4 1 1 A 34 34 GLU CB C 34 29.031 29.176 -0.145 1
1 341 . 4 1 1 A 34 34 GLU N N 34 120.557 121.570 -1.013 1
1 342 . 4 1 1 A 35 35 GLU H H 35 8.672 8.020 0.652 1
1 343 . 4 1 1 A 35 35 GLU HA H 35 3.989 4.130 -0.141 1
1 348 . 4 1 1 A 35 35 GLU C C 35 179.440 179.210 0.230 1
1 349 . 4 1 1 A 35 35 GLU CA C 35 60.096 59.054 1.042 1
1 350 . 4 1 1 A 35 35 GLU CB C 35 28.949 29.485 -0.536 1
1 352 . 4 1 1 A 35 35 GLU N N 35 119.112 120.158 -1.046 1
1 353 . 4 1 1 A 36 36 GLN H H 36 7.705 8.118 -0.413 1
1 354 . 4 1 1 A 36 36 GLN HA H 36 4.012 4.437 -0.425 1
1 360 . 4 1 1 A 36 36 GLN C C 36 178.372 178.341 0.031 1
1 361 . 4 1 1 A 36 36 GLN CA C 36 58.968 58.675 0.293 1
1 362 . 4 1 1 A 36 36 GLN CB C 36 28.290 28.648 -0.358 1
1 364 . 4 1 1 A 36 36 GLN N N 36 120.638 118.363 2.275 1
1 366 . 4 1 1 A 37 37 ILE H H 37 8.308 8.598 -0.290 1
1 367 . 4 1 1 A 37 37 ILE HA H 37 3.474 3.768 -0.294 1
1 377 . 4 1 1 A 37 37 ILE C C 37 177.400 178.639 -1.239 1
1 378 . 4 1 1 A 37 37 ILE CA C 37 65.173 64.776 0.397 1
1 379 . 4 1 1 A 37 37 ILE CB C 37 36.447 37.847 -1.400 1
1 383 . 4 1 1 A 37 37 ILE N N 37 121.515 120.364 1.151 1
1 384 . 4 1 1 A 38 38 LYS H H 38 7.808 7.811 -0.003 1
1 385 . 4 1 1 A 38 38 LYS HA H 38 3.803 4.069 -0.266 1
1 393 . 4 1 1 A 38 38 LYS C C 38 178.153 178.697 -0.544 1
1 394 . 4 1 1 A 38 38 LYS CA C 38 60.096 59.083 1.013 1
1 395 . 4 1 1 A 38 38 LYS CB C 38 31.833 32.612 -0.779 1
1 399 . 4 1 1 A 38 38 LYS N N 38 120.672 122.393 -1.721 1
1 400 . 4 1 1 A 39 39 GLU H H 39 7.719 8.226 -0.507 1
1 401 . 4 1 1 A 39 39 GLU HA H 39 4.089 4.101 -0.012 1
1 406 . 4 1 1 A 39 39 GLU C C 39 179.278 178.760 0.518 1
1 407 . 4 1 1 A 39 39 GLU CA C 39 59.522 59.138 0.384 1
1 408 . 4 1 1 A 39 39 GLU CB C 39 29.773 29.079 0.694 1
1 410 . 4 1 1 A 39 39 GLU N N 39 119.510 117.535 1.975 1
1 411 . 4 1 1 A 40 40 MET H H 40 8.167 8.567 -0.400 1
1 412 . 4 1 1 A 40 40 MET HA H 40 3.599 4.116 -0.517 1
1 420 . 4 1 1 A 40 40 MET C C 40 179.813 178.312 1.501 1
1 421 . 4 1 1 A 40 40 MET CA C 40 59.533 58.634 0.899 1
1 422 . 4 1 1 A 40 40 MET CB C 40 35.410 32.947 2.463 1
1 425 . 4 1 1 A 40 40 MET N N 40 117.312 118.960 -1.648 1
1 426 . 4 1 1 A 41 41 ALA H H 41 8.689 7.824 0.865 1
1 427 . 4 1 1 A 41 41 ALA HA H 41 4.102 4.346 -0.244 1
1 431 . 4 1 1 A 41 41 ALA C C 41 179.610 179.129 0.481 1
1 432 . 4 1 1 A 41 41 ALA CA C 41 55.866 55.108 0.758 1
1 433 . 4 1 1 A 41 41 ALA CB C 41 18.609 18.403 0.206 1
1 434 . 4 1 1 A 41 41 ALA N N 41 128.620 121.559 7.061 1
1 435 . 4 1 1 A 42 42 ASP H H 42 8.324 7.273 1.051 1
1 436 . 4 1 1 A 42 42 ASP HA H 42 4.306 4.474 -0.168 1
1 439 . 4 1 1 A 42 42 ASP C C 42 179.003 178.501 0.502 1
1 440 . 4 1 1 A 42 42 ASP CA C 42 57.241 56.582 0.659 1
1 441 . 4 1 1 A 42 42 ASP CB C 42 40.319 41.347 -1.028 1
1 442 . 4 1 1 A 42 42 ASP N N 42 120.159 118.176 1.983 1
1 443 . 4 1 1 A 43 43 LYS H H 43 8.036 7.742 0.294 1
1 444 . 4 1 1 A 43 43 LYS HA H 43 4.155 4.089 0.066 1
1 452 . 4 1 1 A 43 43 LYS C C 43 178.105 177.854 0.251 1
1 453 . 4 1 1 A 43 43 LYS CA C 43 58.580 58.838 -0.258 1
1 454 . 4 1 1 A 43 43 LYS CB C 43 33.893 32.381 1.512 1
1 458 . 4 1 1 A 43 43 LYS N N 43 116.586 118.813 -2.227 1
1 459 . 4 1 1 A 44 44 SER H H 44 8.314 8.021 0.293 1
1 460 . 4 1 1 A 44 44 SER HA H 44 4.486 4.587 -0.101 1
1 463 . 4 1 1 A 44 44 SER C C 44 175.458 175.546 -0.088 1
1 464 . 4 1 1 A 44 44 SER CA C 44 59.955 58.643 1.312 1
1 465 . 4 1 1 A 44 44 SER CB C 44 66.025 65.328 0.697 1
1 466 . 4 1 1 A 44 44 SER N N 44 111.140 110.242 0.898 1
1 467 . 4 1 1 A 45 45 GLY H H 45 8.249 8.175 0.074 1
1 468 . 4 1 1 A 45 45 GLY HA2 H 45 3.872 3.985 -0.113 1
1 469 . 4 1 1 A 45 45 GLY HA3 H 45 4.233 3.988 0.245 1
1 470 . 4 1 1 A 45 45 GLY C C 45 174.317 174.326 -0.009 1
1 471 . 4 1 1 A 45 45 GLY CA C 45 45.889 44.961 0.928 1
1 472 . 4 1 1 A 45 45 GLY N N 45 112.770 110.698 2.072 1
1 473 . 4 1 1 A 46 46 LEU H H 46 7.800 7.557 0.243 1
1 474 . 4 1 1 A 46 46 LEU HA H 46 4.685 4.500 0.185 1
1 484 . 4 1 1 A 46 46 LEU C C 46 174.366 174.644 -0.278 1
1 485 . 4 1 1 A 46 46 LEU CA C 46 52.235 52.529 -0.294 1
1 486 . 4 1 1 A 46 46 LEU CB C 46 43.285 41.593 1.692 1
1 490 . 4 1 1 A 46 46 LEU N N 46 121.722 122.440 -0.718 1
1 491 . 4 1 1 A 47 47 PRO HA H 47 4.542 4.534 0.008 1
1 497 . 4 1 1 A 47 47 PRO C C 47 178.542 176.854 1.688 1
1 498 . 4 1 1 A 47 47 PRO CA C 47 62.000 62.384 -0.384 1
1 499 . 4 1 1 A 47 47 PRO CB C 47 32.731 33.286 -0.555 1
1 502 . 4 1 1 A 48 48 GLN H H 48 9.124 8.556 0.568 1
1 503 . 4 1 1 A 48 48 GLN HA H 48 3.629 4.037 -0.408 1
1 510 . 4 1 1 A 48 48 GLN C C 48 178.080 178.417 -0.337 1
1 511 . 4 1 1 A 48 48 GLN CA C 48 60.872 58.974 1.898 1
1 512 . 4 1 1 A 48 48 GLN CB C 48 28.455 28.386 0.069 1
1 514 . 4 1 1 A 48 48 GLN N N 48 123.862 120.656 3.206 1
1 516 . 4 1 1 A 49 49 LYS H H 49 8.912 8.159 0.753 1
1 517 . 4 1 1 A 49 49 LYS HA H 49 3.969 4.124 -0.155 1
1 524 . 4 1 1 A 49 49 LYS C C 49 178.954 179.039 -0.085 1
1 525 . 4 1 1 A 49 49 LYS CA C 49 59.955 59.194 0.761 1
1 526 . 4 1 1 A 49 49 LYS CB C 49 32.327 32.261 0.066 1
1 530 . 4 1 1 A 49 49 LYS N N 49 116.406 118.849 -2.443 1
1 531 . 4 1 1 A 50 50 VAL H H 50 6.874 7.669 -0.795 1
1 532 . 4 1 1 A 50 50 VAL HA H 50 3.835 3.695 0.140 1
1 540 . 4 1 1 A 50 50 VAL C C 50 178.299 177.783 0.516 1
1 541 . 4 1 1 A 50 50 VAL CA C 50 65.560 66.452 -0.892 1
1 542 . 4 1 1 A 50 50 VAL CB C 50 32.080 31.625 0.455 1
1 545 . 4 1 1 A 50 50 VAL N N 50 119.065 120.221 -1.156 1
1 546 . 4 1 1 A 51 51 ILE H H 51 7.503 8.024 -0.521 1
1 547 . 4 1 1 A 51 51 ILE HA H 51 3.672 3.732 -0.060 1
1 557 . 4 1 1 A 51 51 ILE C C 51 178.007 178.096 -0.089 1
1 558 . 4 1 1 A 51 51 ILE CA C 51 66.019 65.754 0.265 1
1 559 . 4 1 1 A 51 51 ILE CB C 51 38.081 38.176 -0.095 1
1 563 . 4 1 1 A 51 51 ILE N N 51 121.254 119.765 1.489 1
1 564 . 4 1 1 A 52 52 LYS H H 52 8.596 8.270 0.326 1
1 565 . 4 1 1 A 52 52 LYS HA H 52 3.984 4.123 -0.139 1
1 572 . 4 1 1 A 52 52 LYS C C 52 179.302 179.170 0.132 1
1 573 . 4 1 1 A 52 52 LYS CA C 52 60.978 59.500 1.478 1
1 574 . 4 1 1 A 52 52 LYS CB C 52 32.574 32.558 0.016 1
1 578 . 4 1 1 A 52 52 LYS N N 52 118.531 120.136 -1.605 1
1 579 . 4 1 1 A 53 53 HIS H H 53 7.952 8.068 -0.116 1
1 580 . 4 1 1 A 53 53 HIS HA H 53 4.324 4.424 -0.100 1
1 585 . 4 1 1 A 53 53 HIS C C 53 177.085 177.149 -0.064 1
1 586 . 4 1 1 A 53 53 HIS CA C 53 60.026 59.242 0.784 1
1 587 . 4 1 1 A 53 53 HIS CB C 53 30.867 30.439 0.428 1
1 590 . 4 1 1 A 53 53 HIS N N 53 118.728 119.355 -0.627 1
1 591 . 4 1 1 A 54 54 TRP H H 54 8.614 8.718 -0.104 1
1 592 . 4 1 1 A 54 54 TRP HA H 54 4.048 4.310 -0.262 1
1 601 . 4 1 1 A 54 54 TRP C C 54 180.144 178.323 1.821 1
1 602 . 4 1 1 A 54 54 TRP CA C 54 62.916 61.038 1.878 1
1 603 . 4 1 1 A 54 54 TRP CB C 54 28.766 29.683 -0.917 1
1 609 . 4 1 1 A 54 54 TRP N N 54 121.845 121.620 0.225 1
1 611 . 4 1 1 A 55 55 PHE H H 55 9.035 8.630 0.405 1
1 612 . 4 1 1 A 55 55 PHE HA H 55 3.786 4.025 -0.239 1
1 620 . 4 1 1 A 55 55 PHE C C 55 178.129 177.945 0.184 1
1 621 . 4 1 1 A 55 55 PHE CA C 55 63.617 62.413 1.204 1
1 622 . 4 1 1 A 55 55 PHE CB C 55 39.260 38.696 0.564 1
1 628 . 4 1 1 A 55 55 PHE N N 55 120.180 117.881 2.299 1
1 629 . 4 1 1 A 56 56 ARG H H 56 7.962 8.401 -0.439 1
1 630 . 4 1 1 A 56 56 ARG HA H 56 4.095 3.968 0.127 1
1 636 . 4 1 1 A 56 56 ARG C C 56 178.444 178.350 0.094 1
1 637 . 4 1 1 A 56 56 ARG CA C 56 59.356 59.559 -0.203 1
1 638 . 4 1 1 A 56 56 ARG CB C 56 30.087 29.853 0.234 1
1 641 . 4 1 1 A 56 56 ARG N N 56 118.370 120.846 -2.476 1
1 642 . 4 1 1 A 57 57 ASN H H 57 8.194 8.372 -0.178 1
1 643 . 4 1 1 A 57 57 ASN HA H 57 4.401 4.314 0.087 1
1 648 . 4 1 1 A 57 57 ASN C C 57 176.866 177.612 -0.746 1
1 649 . 4 1 1 A 57 57 ASN CA C 57 55.497 55.908 -0.411 1
1 650 . 4 1 1 A 57 57 ASN CB C 57 38.640 39.305 -0.665 1
1 651 . 4 1 1 A 57 57 ASN N N 57 117.190 117.834 -0.644 1
1 653 . 4 1 1 A 58 58 THR H H 58 7.999 7.346 0.653 1
1 654 . 4 1 1 A 58 58 THR HA H 58 3.426 3.757 -0.331 1
1 659 . 4 1 1 A 58 58 THR C C 58 175.361 175.777 -0.416 1
1 660 . 4 1 1 A 58 58 THR CA C 58 65.801 66.136 -0.335 1
1 661 . 4 1 1 A 58 58 THR CB C 58 68.064 68.455 -0.391 1
1 663 . 4 1 1 A 58 58 THR N N 58 117.859 115.270 2.589 1
1 664 . 4 1 1 A 59 59 LEU H H 59 7.950 8.611 -0.661 1
1 665 . 4 1 1 A 59 59 LEU HA H 59 4.127 4.239 -0.112 1
1 674 . 4 1 1 A 59 59 LEU C C 59 177.886 178.781 -0.895 1
1 675 . 4 1 1 A 59 59 LEU CA C 59 57.628 58.605 -0.977 1
1 676 . 4 1 1 A 59 59 LEU CB C 59 42.296 41.965 0.331 1
1 680 . 4 1 1 A 59 59 LEU N N 59 122.280 121.254 1.026 1
1 681 . 4 1 1 A 60 60 PHE H H 60 7.797 8.829 -1.032 1
1 682 . 4 1 1 A 60 60 PHE HA H 60 4.309 4.014 0.295 1
1 690 . 4 1 1 A 60 60 PHE C C 60 177.085 177.355 -0.270 1
1 691 . 4 1 1 A 60 60 PHE CA C 60 59.920 61.870 -1.950 1
1 692 . 4 1 1 A 60 60 PHE CB C 60 38.918 39.430 -0.512 1
1 698 . 4 1 1 A 60 60 PHE N N 60 118.008 119.759 -1.751 1
1 699 . 4 1 1 A 61 61 LYS H H 61 7.839 7.882 -0.043 1
1 700 . 4 1 1 A 61 61 LYS HA H 61 4.007 4.224 -0.217 1
1 707 . 4 1 1 A 61 61 LYS C C 61 178.032 179.226 -1.194 1
1 708 . 4 1 1 A 61 61 LYS CA C 61 58.016 58.939 -0.923 1
1 709 . 4 1 1 A 61 61 LYS CB C 61 32.657 32.542 0.115 1
1 713 . 4 1 1 A 61 61 LYS N N 61 119.447 118.309 1.138 1
1 714 . 4 1 1 A 62 62 GLU H H 62 8.139 8.482 -0.343 1
1 715 . 4 1 1 A 62 62 GLU HA H 62 4.146 3.978 0.168 1
1 720 . 4 1 1 A 62 62 GLU C C 62 177.595 179.364 -1.769 1
1 721 . 4 1 1 A 62 62 GLU CA C 62 57.699 59.707 -2.008 1
1 722 . 4 1 1 A 62 62 GLU CB C 62 29.608 29.384 0.224 1
1 724 . 4 1 1 A 62 62 GLU N N 62 119.302 120.166 -0.864 1
1 725 . 4 1 1 A 63 63 ARG H H 63 8.015 8.002 0.013 1
1 726 . 4 1 1 A 63 63 ARG HA H 63 4.258 4.135 0.123 1
1 732 . 4 1 1 A 63 63 ARG C C 63 176.769 178.300 -1.531 1
1 733 . 4 1 1 A 63 63 ARG CA C 63 56.677 59.383 -2.706 1
1 734 . 4 1 1 A 63 63 ARG CB C 63 30.514 29.952 0.562 1
1 737 . 4 1 1 A 63 63 ARG N N 63 119.598 119.463 0.135 1
1 738 . 4 1 1 A 64 64 GLN H H 64 8.058 7.796 0.262 1
1 739 . 4 1 1 A 64 64 GLN HA H 64 4.242 4.005 0.237 1
1 745 . 4 1 1 A 64 64 GLN C C 64 176.114 178.086 -1.972 1
1 746 . 4 1 1 A 64 64 GLN CA C 64 56.148 58.660 -2.512 1
1 747 . 4 1 1 A 64 64 GLN CB C 64 29.258 28.567 0.691 1
1 749 . 4 1 1 A 64 64 GLN N N 64 120.027 119.611 0.416 1
1 751 . 4 1 1 A 65 65 SER H H 65 8.172 7.630 0.542 1
1 752 . 4 1 1 A 65 65 SER HA H 65 4.457 4.184 0.273 1
1 755 . 4 1 1 A 65 65 SER C C 65 174.487 175.879 -1.392 1
1 756 . 4 1 1 A 65 65 SER CA C 65 58.404 61.087 -2.683 1
1 757 . 4 1 1 A 65 65 SER CB C 65 63.965 62.827 1.138 1
1 758 . 4 1 1 A 65 65 SER N N 65 116.070 114.531 1.539 1
1 759 . 4 1 1 A 66 66 GLY H H 66 8.170 7.667 0.503 1
1 760 . 4 1 1 A 66 66 GLY HA2 H 66 4.141 4.084 0.057 1
1 761 . 4 1 1 A 66 66 GLY HA3 H 66 4.082 4.085 -0.003 1
1 762 . 4 1 1 A 66 66 GLY C C 66 171.768 173.108 -1.340 1
1 763 . 4 1 1 A 66 66 GLY CA C 66 44.620 44.304 0.316 1
1 764 . 4 1 1 A 66 66 GLY N N 66 110.579 109.398 1.181 1
1 765 . 4 1 1 A 67 67 PRO HA H 67 4.453 4.707 -0.254 1
1 770 . 4 1 1 A 67 67 PRO C C 67 177.400 176.848 0.552 1
1 771 . 4 1 1 A 67 67 PRO CA C 67 63.198 62.356 0.842 1
1 772 . 4 1 1 A 67 67 PRO CB C 67 32.171 30.038 2.133 1
1 775 . 4 1 1 A 68 68 SER H H 68 8.525 8.205 0.320 1
1 776 . 4 1 1 A 68 68 SER HA H 68 4.490 4.314 0.176 1
1 779 . 4 1 1 A 68 68 SER C C 68 174.657 174.531 0.126 1
1 780 . 4 1 1 A 68 68 SER CA C 68 58.589 58.857 -0.268 1
1 781 . 4 1 1 A 68 68 SER CB C 68 63.800 62.416 1.384 1
1 782 . 4 1 1 A 68 68 SER N N 68 116.415 119.021 -2.606 1
1 783 . 4 1 1 A 69 69 SER H H 69 8.316 8.629 -0.313 1
1 784 . 4 1 1 A 69 69 SER HA H 69 4.467 4.102 0.365 1
1 787 . 4 1 1 A 69 69 SER C C 69 173.953 173.761 0.192 1
1 788 . 4 1 1 A 69 69 SER CA C 69 58.369 59.301 -0.932 1
1 789 . 4 1 1 A 69 69 SER CB C 69 64.047 61.753 2.294 1
1 790 . 4 1 1 A 69 69 SER N N 69 117.832 114.507 3.325 1
1 1 . 5 1 1 A 7 7 GLY H H 7 8.499 8.412 0.087 1
1 2 . 5 1 1 A 7 7 GLY HA2 H 7 3.948 4.179 -0.231 1
1 3 . 5 1 1 A 7 7 GLY HA3 H 7 3.948 4.179 -0.231 1
1 4 . 5 1 1 A 7 7 GLY C C 7 173.949 173.116 0.833 1
1 5 . 5 1 1 A 7 7 GLY CA C 7 45.325 46.064 -0.739 1
1 6 . 5 1 1 A 8 8 LYS H H 8 8.116 8.026 0.090 1
1 7 . 5 1 1 A 8 8 LYS HA H 8 4.308 4.235 0.073 1
1 14 . 5 1 1 A 8 8 LYS C C 8 176.504 175.760 0.744 1
1 15 . 5 1 1 A 8 8 LYS CA C 8 56.113 56.913 -0.800 1
1 16 . 5 1 1 A 8 8 LYS CB C 8 33.151 33.507 -0.356 1
1 20 . 5 1 1 A 8 8 LYS N N 8 120.734 123.468 -2.734 1
1 21 . 5 1 1 A 9 9 ARG H H 9 8.362 8.606 -0.244 1
1 22 . 5 1 1 A 9 9 ARG HA H 9 4.590 4.779 -0.189 1
1 27 . 5 1 1 A 9 9 ARG C C 9 176.479 175.979 0.500 1
1 28 . 5 1 1 A 9 9 ARG CA C 9 53.962 52.791 1.171 1
1 29 . 5 1 1 A 9 9 ARG CB C 9 30.103 31.314 -1.211 1
1 32 . 5 1 1 A 9 9 ARG N N 9 123.609 121.957 1.652 1
1 33 . 5 1 1 A 10 10 PRO HA H 10 4.419 4.319 0.100 1
1 39 . 5 1 1 A 10 10 PRO C C 10 176.796 177.403 -0.607 1
1 40 . 5 1 1 A 10 10 PRO CA C 10 62.987 64.682 -1.695 1
1 41 . 5 1 1 A 10 10 PRO CB C 10 32.080 31.869 0.211 1
1 44 . 5 1 1 A 11 11 ARG H H 11 8.517 7.984 0.533 1
1 45 . 5 1 1 A 11 11 ARG C C 11 176.551 175.551 1.000 1
1 46 . 5 1 1 A 11 11 ARG CA C 11 56.077 57.088 -1.011 1
1 47 . 5 1 1 A 11 11 ARG CB C 11 30.762 28.810 1.952 1
1 48 . 5 1 1 A 11 11 ARG N N 11 121.931 118.324 3.607 1
1 49 . 5 1 1 A 12 12 THR HA H 12 4.260 4.482 -0.222 1
1 54 . 5 1 1 A 12 12 THR C C 12 173.904 173.707 0.197 1
1 55 . 5 1 1 A 12 12 THR CA C 12 62.218 61.911 0.307 1
1 56 . 5 1 1 A 12 12 THR CB C 12 69.843 70.499 -0.656 1
1 58 . 5 1 1 A 13 13 ARG H H 13 8.434 8.482 -0.048 1
1 59 . 5 1 1 A 13 13 ARG HA H 13 4.381 4.668 -0.287 1
1 65 . 5 1 1 A 13 13 ARG C C 13 175.336 174.668 0.668 1
1 66 . 5 1 1 A 13 13 ARG CA C 13 55.972 55.194 0.778 1
1 67 . 5 1 1 A 13 13 ARG CB C 13 31.059 33.259 -2.200 1
1 70 . 5 1 1 A 13 13 ARG N N 13 125.368 121.401 3.967 1
1 71 . 5 1 1 A 14 14 ILE H H 14 8.179 8.670 -0.491 1
1 72 . 5 1 1 A 14 14 ILE HA H 14 4.268 4.292 -0.024 1
1 82 . 5 1 1 A 14 14 ILE C C 14 176.844 175.484 1.360 1
1 83 . 5 1 1 A 14 14 ILE CA C 14 61.647 61.230 0.417 1
1 84 . 5 1 1 A 14 14 ILE CB C 14 39.248 37.814 1.434 1
1 88 . 5 1 1 A 14 14 ILE N N 14 123.951 127.132 -3.181 1
1 89 . 5 1 1 A 15 15 THR H H 15 8.922 8.176 0.746 1
1 90 . 5 1 1 A 15 15 THR HA H 15 4.386 4.755 -0.369 1
1 95 . 5 1 1 A 15 15 THR C C 15 175.263 174.781 0.482 1
1 96 . 5 1 1 A 15 15 THR CA C 15 61.402 59.731 1.671 1
1 97 . 5 1 1 A 15 15 THR CB C 15 70.796 71.394 -0.598 1
1 99 . 5 1 1 A 15 15 THR N N 15 119.222 117.703 1.519 1
1 100 . 5 1 1 A 16 16 ASP H H 16 8.951 8.975 -0.024 1
1 101 . 5 1 1 A 16 16 ASP HA H 16 4.353 4.267 0.086 1
1 104 . 5 1 1 A 16 16 ASP C C 16 178.888 178.026 0.862 1
1 105 . 5 1 1 A 16 16 ASP CA C 16 58.016 57.416 0.600 1
1 106 . 5 1 1 A 16 16 ASP CB C 16 40.154 40.175 -0.021 1
1 107 . 5 1 1 A 16 16 ASP N N 16 120.852 126.664 -5.812 1
1 108 . 5 1 1 A 17 17 ASP H H 17 8.387 8.288 0.099 1
1 109 . 5 1 1 A 17 17 ASP HA H 17 4.361 4.407 -0.046 1
1 112 . 5 1 1 A 17 17 ASP C C 17 178.815 177.513 1.302 1
1 113 . 5 1 1 A 17 17 ASP CA C 17 57.311 56.558 0.753 1
1 114 . 5 1 1 A 17 17 ASP CB C 17 40.649 40.557 0.092 1
1 115 . 5 1 1 A 17 17 ASP N N 17 118.488 118.835 -0.347 1
1 116 . 5 1 1 A 18 18 GLN H H 18 7.561 7.713 -0.152 1
1 117 . 5 1 1 A 18 18 GLN HA H 18 3.844 4.255 -0.411 1
1 124 . 5 1 1 A 18 18 GLN C C 18 177.988 177.987 0.001 1
1 125 . 5 1 1 A 18 18 GLN CA C 18 58.933 57.160 1.773 1
1 126 . 5 1 1 A 18 18 GLN CB C 18 28.702 29.172 -0.470 1
1 128 . 5 1 1 A 18 18 GLN N N 18 119.852 118.079 1.773 1
1 130 . 5 1 1 A 19 19 LEU H H 19 8.538 8.336 0.202 1
1 131 . 5 1 1 A 19 19 LEU HA H 19 3.549 3.800 -0.251 1
1 141 . 5 1 1 A 19 19 LEU C C 19 178.202 178.325 -0.123 1
1 142 . 5 1 1 A 19 19 LEU CA C 19 57.593 57.572 0.021 1
1 143 . 5 1 1 A 19 19 LEU CB C 19 41.720 41.439 0.281 1
1 147 . 5 1 1 A 19 19 LEU N N 19 120.203 122.516 -2.313 1
1 148 . 5 1 1 A 20 20 ARG H H 20 7.644 8.134 -0.490 1
1 149 . 5 1 1 A 20 20 ARG HA H 20 3.893 4.107 -0.214 1
1 155 . 5 1 1 A 20 20 ARG C C 20 179.148 178.429 0.719 1
1 156 . 5 1 1 A 20 20 ARG CA C 20 59.744 58.697 1.047 1
1 157 . 5 1 1 A 20 20 ARG CB C 20 29.855 29.984 -0.129 1
1 160 . 5 1 1 A 20 20 ARG N N 20 117.442 117.639 -0.197 1
1 161 . 5 1 1 A 21 21 VAL H H 21 7.074 7.757 -0.683 1
1 162 . 5 1 1 A 21 21 VAL HA H 21 3.726 3.674 0.052 1
1 170 . 5 1 1 A 21 21 VAL C C 21 177.643 178.575 -0.932 1
1 171 . 5 1 1 A 21 21 VAL CA C 21 66.098 66.260 -0.162 1
1 172 . 5 1 1 A 21 21 VAL CB C 21 31.750 31.734 0.016 1
1 175 . 5 1 1 A 21 21 VAL N N 21 118.796 120.744 -1.948 1
1 176 . 5 1 1 A 22 22 LEU H H 22 7.620 7.900 -0.280 1
1 177 . 5 1 1 A 22 22 LEU HA H 22 3.947 4.178 -0.231 1
1 187 . 5 1 1 A 22 22 LEU C C 22 178.979 179.136 -0.157 1
1 188 . 5 1 1 A 22 22 LEU CA C 22 58.369 57.984 0.385 1
1 189 . 5 1 1 A 22 22 LEU CB C 22 38.869 40.191 -1.322 1
1 193 . 5 1 1 A 22 22 LEU N N 22 119.184 119.415 -0.231 1
1 194 . 5 1 1 A 23 23 ARG H H 23 8.451 8.461 -0.010 1
1 195 . 5 1 1 A 23 23 ARG HA H 23 4.054 4.141 -0.087 1
1 202 . 5 1 1 A 23 23 ARG C C 23 178.177 179.617 -1.440 1
1 203 . 5 1 1 A 23 23 ARG CA C 23 59.157 59.979 -0.822 1
1 204 . 5 1 1 A 23 23 ARG CB C 23 29.772 30.145 -0.373 1
1 207 . 5 1 1 A 23 23 ARG N N 23 116.571 118.956 -2.385 1
1 208 . 5 1 1 A 24 24 GLN H H 24 7.749 8.209 -0.460 1
1 209 . 5 1 1 A 24 24 GLN HA H 24 4.129 3.992 0.137 1
1 216 . 5 1 1 A 24 24 GLN C C 24 179.100 178.702 0.398 1
1 217 . 5 1 1 A 24 24 GLN CA C 24 58.827 58.998 -0.171 1
1 218 . 5 1 1 A 24 24 GLN CB C 24 28.290 28.226 0.064 1
1 220 . 5 1 1 A 24 24 GLN N N 24 118.256 118.842 -0.586 1
1 222 . 5 1 1 A 25 25 TYR H H 25 7.902 7.590 0.312 1
1 223 . 5 1 1 A 25 25 TYR HA H 25 4.295 4.300 -0.005 1
1 230 . 5 1 1 A 25 25 TYR C C 25 178.080 178.577 -0.497 1
1 231 . 5 1 1 A 25 25 TYR CA C 25 61.506 60.743 0.763 1
1 232 . 5 1 1 A 25 25 TYR CB C 25 39.001 38.162 0.839 1
1 237 . 5 1 1 A 25 25 TYR N N 25 117.374 120.459 -3.085 1
1 238 . 5 1 1 A 26 26 PHE H H 26 8.935 8.477 0.458 1
1 239 . 5 1 1 A 26 26 PHE HA H 26 4.366 4.644 -0.278 1
1 247 . 5 1 1 A 26 26 PHE C C 26 175.847 176.676 -0.829 1
1 248 . 5 1 1 A 26 26 PHE CA C 26 61.452 62.034 -0.582 1
1 249 . 5 1 1 A 26 26 PHE CB C 26 39.538 39.310 0.228 1
1 255 . 5 1 1 A 27 27 ASP H H 27 8.138 8.324 -0.186 1
1 256 . 5 1 1 A 27 27 ASP HA H 27 4.407 4.342 0.065 1
1 259 . 5 1 1 A 27 27 ASP C C 27 177.546 178.528 -0.982 1
1 260 . 5 1 1 A 27 27 ASP CA C 27 56.007 57.691 -1.684 1
1 261 . 5 1 1 A 27 27 ASP CB C 27 40.813 41.471 -0.658 1
1 262 . 5 1 1 A 27 27 ASP N N 27 116.760 118.800 -2.040 1
1 263 . 5 1 1 A 28 28 ILE H H 28 7.463 7.148 0.315 1
1 264 . 5 1 1 A 28 28 ILE HA H 28 3.945 3.913 0.032 1
1 274 . 5 1 1 A 28 28 ILE C C 28 176.260 176.174 0.086 1
1 275 . 5 1 1 A 28 28 ILE CA C 28 62.881 63.842 -0.961 1
1 276 . 5 1 1 A 28 28 ILE CB C 28 38.836 38.309 0.527 1
1 280 . 5 1 1 A 28 28 ILE N N 28 119.169 118.510 0.659 1
1 281 . 5 1 1 A 29 29 ASN H H 29 8.214 7.731 0.483 1
1 282 . 5 1 1 A 29 29 ASN HA H 29 4.620 4.949 -0.329 1
1 287 . 5 1 1 A 29 29 ASN C C 29 173.633 175.118 -1.485 1
1 288 . 5 1 1 A 29 29 ASN CA C 29 53.081 51.843 1.238 1
1 289 . 5 1 1 A 29 29 ASN CB C 29 39.330 41.288 -1.958 1
1 290 . 5 1 1 A 29 29 ASN N N 29 117.989 116.071 1.918 1
1 292 . 5 1 1 A 30 30 ASN H H 30 8.383 8.505 -0.122 1
1 293 . 5 1 1 A 30 30 ASN HA H 30 4.231 3.934 0.297 1
1 298 . 5 1 1 A 30 30 ASN C C 30 174.338 175.025 -0.687 1
1 299 . 5 1 1 A 30 30 ASN CA C 30 53.610 56.712 -3.102 1
1 300 . 5 1 1 A 30 30 ASN CB C 30 38.836 38.435 0.401 1
1 301 . 5 1 1 A 30 30 ASN N N 30 120.522 121.301 -0.779 1
1 303 . 5 1 1 A 31 31 SER H H 31 7.941 7.900 0.041 1
1 304 . 5 1 1 A 31 31 SER HA H 31 4.795 4.958 -0.163 1
1 307 . 5 1 1 A 31 31 SER C C 31 174.387 172.489 1.898 1
1 308 . 5 1 1 A 31 31 SER CA C 31 54.843 54.811 0.032 1
1 309 . 5 1 1 A 31 31 SER CB C 31 63.553 65.200 -1.647 1
1 310 . 5 1 1 A 31 31 SER N N 31 112.907 112.461 0.446 1
1 311 . 5 1 1 A 32 32 PRO HA H 32 4.437 4.496 -0.059 1
1 318 . 5 1 1 A 32 32 PRO C C 32 176.844 176.097 0.747 1
1 319 . 5 1 1 A 32 32 PRO CA C 32 62.180 62.137 0.043 1
1 320 . 5 1 1 A 32 32 PRO CB C 32 32.380 32.255 0.125 1
1 323 . 5 1 1 A 33 33 SER H H 33 8.658 8.290 0.368 1
1 324 . 5 1 1 A 33 33 SER HA H 33 4.462 4.842 -0.380 1
1 327 . 5 1 1 A 33 33 SER C C 33 175.068 175.741 -0.673 1
1 328 . 5 1 1 A 33 33 SER CA C 33 56.539 56.268 0.271 1
1 329 . 5 1 1 A 33 33 SER CB C 33 65.613 66.258 -0.645 1
1 330 . 5 1 1 A 33 33 SER N N 33 117.201 114.392 2.809 1
1 331 . 5 1 1 A 34 34 GLU H H 34 8.983 9.176 -0.193 1
1 332 . 5 1 1 A 34 34 GLU HA H 34 3.885 3.946 -0.061 1
1 337 . 5 1 1 A 34 34 GLU C C 34 179.464 178.367 1.097 1
1 338 . 5 1 1 A 34 34 GLU CA C 34 59.990 59.599 0.391 1
1 339 . 5 1 1 A 34 34 GLU CB C 34 29.031 29.146 -0.115 1
1 341 . 5 1 1 A 34 34 GLU N N 34 120.557 121.356 -0.799 1
1 342 . 5 1 1 A 35 35 GLU H H 35 8.672 7.905 0.767 1
1 343 . 5 1 1 A 35 35 GLU HA H 35 3.989 4.063 -0.074 1
1 348 . 5 1 1 A 35 35 GLU C C 35 179.440 178.756 0.684 1
1 349 . 5 1 1 A 35 35 GLU CA C 35 60.096 59.103 0.993 1
1 350 . 5 1 1 A 35 35 GLU CB C 35 28.949 29.774 -0.825 1
1 352 . 5 1 1 A 35 35 GLU N N 35 119.112 119.971 -0.859 1
1 353 . 5 1 1 A 36 36 GLN H H 36 7.705 8.055 -0.350 1
1 354 . 5 1 1 A 36 36 GLN HA H 36 4.012 3.848 0.164 1
1 360 . 5 1 1 A 36 36 GLN C C 36 178.372 178.287 0.085 1
1 361 . 5 1 1 A 36 36 GLN CA C 36 58.968 58.463 0.505 1
1 362 . 5 1 1 A 36 36 GLN CB C 36 28.290 28.168 0.122 1
1 364 . 5 1 1 A 36 36 GLN N N 36 120.638 118.370 2.268 1
1 366 . 5 1 1 A 37 37 ILE H H 37 8.308 8.388 -0.080 1
1 367 . 5 1 1 A 37 37 ILE HA H 37 3.474 3.661 -0.187 1
1 377 . 5 1 1 A 37 37 ILE C C 37 177.400 178.645 -1.245 1
1 378 . 5 1 1 A 37 37 ILE CA C 37 65.173 64.708 0.465 1
1 379 . 5 1 1 A 37 37 ILE CB C 37 36.447 37.605 -1.158 1
1 383 . 5 1 1 A 37 37 ILE N N 37 121.515 120.578 0.937 1
1 384 . 5 1 1 A 38 38 LYS H H 38 7.808 7.845 -0.037 1
1 385 . 5 1 1 A 38 38 LYS HA H 38 3.803 3.991 -0.188 1
1 393 . 5 1 1 A 38 38 LYS C C 38 178.153 178.593 -0.440 1
1 394 . 5 1 1 A 38 38 LYS CA C 38 60.096 59.279 0.817 1
1 395 . 5 1 1 A 38 38 LYS CB C 38 31.833 32.524 -0.691 1
1 399 . 5 1 1 A 38 38 LYS N N 38 120.672 122.501 -1.829 1
1 400 . 5 1 1 A 39 39 GLU H H 39 7.719 8.067 -0.348 1
1 401 . 5 1 1 A 39 39 GLU HA H 39 4.089 4.079 0.010 1
1 406 . 5 1 1 A 39 39 GLU C C 39 179.278 178.668 0.610 1
1 407 . 5 1 1 A 39 39 GLU CA C 39 59.522 59.093 0.429 1
1 408 . 5 1 1 A 39 39 GLU CB C 39 29.773 29.065 0.708 1
1 410 . 5 1 1 A 39 39 GLU N N 39 119.510 117.535 1.975 1
1 411 . 5 1 1 A 40 40 MET H H 40 8.167 8.345 -0.178 1
1 412 . 5 1 1 A 40 40 MET HA H 40 3.599 4.175 -0.576 1
1 420 . 5 1 1 A 40 40 MET C C 40 179.813 178.448 1.365 1
1 421 . 5 1 1 A 40 40 MET CA C 40 59.533 58.699 0.834 1
1 422 . 5 1 1 A 40 40 MET CB C 40 35.410 32.931 2.479 1
1 425 . 5 1 1 A 40 40 MET N N 40 117.312 119.000 -1.688 1
1 426 . 5 1 1 A 41 41 ALA H H 41 8.689 7.926 0.763 1
1 427 . 5 1 1 A 41 41 ALA HA H 41 4.102 4.391 -0.289 1
1 431 . 5 1 1 A 41 41 ALA C C 41 179.610 178.924 0.686 1
1 432 . 5 1 1 A 41 41 ALA CA C 41 55.866 54.865 1.001 1
1 433 . 5 1 1 A 41 41 ALA CB C 41 18.609 18.522 0.087 1
1 434 . 5 1 1 A 41 41 ALA N N 41 128.620 121.678 6.942 1
1 435 . 5 1 1 A 42 42 ASP H H 42 8.324 7.176 1.148 1
1 436 . 5 1 1 A 42 42 ASP HA H 42 4.306 4.620 -0.314 1
1 439 . 5 1 1 A 42 42 ASP C C 42 179.003 178.462 0.541 1
1 440 . 5 1 1 A 42 42 ASP CA C 42 57.241 56.450 0.791 1
1 441 . 5 1 1 A 42 42 ASP CB C 42 40.319 41.659 -1.340 1
1 442 . 5 1 1 A 42 42 ASP N N 42 120.159 117.958 2.201 1
1 443 . 5 1 1 A 43 43 LYS H H 43 8.036 7.977 0.059 1
1 444 . 5 1 1 A 43 43 LYS HA H 43 4.155 4.077 0.078 1
1 452 . 5 1 1 A 43 43 LYS C C 43 178.105 177.879 0.226 1
1 453 . 5 1 1 A 43 43 LYS CA C 43 58.580 58.824 -0.244 1
1 454 . 5 1 1 A 43 43 LYS CB C 43 33.893 32.471 1.422 1
1 458 . 5 1 1 A 43 43 LYS N N 43 116.586 119.201 -2.615 1
1 459 . 5 1 1 A 44 44 SER H H 44 8.314 8.005 0.309 1
1 460 . 5 1 1 A 44 44 SER HA H 44 4.486 4.631 -0.145 1
1 463 . 5 1 1 A 44 44 SER C C 44 175.458 175.702 -0.244 1
1 464 . 5 1 1 A 44 44 SER CA C 44 59.955 58.632 1.323 1
1 465 . 5 1 1 A 44 44 SER CB C 44 66.025 65.671 0.354 1
1 466 . 5 1 1 A 44 44 SER N N 44 111.140 110.298 0.842 1
1 467 . 5 1 1 A 45 45 GLY H H 45 8.249 8.039 0.210 1
1 468 . 5 1 1 A 45 45 GLY HA2 H 45 3.872 3.955 -0.083 1
1 469 . 5 1 1 A 45 45 GLY HA3 H 45 4.233 3.957 0.276 1
1 470 . 5 1 1 A 45 45 GLY C C 45 174.317 174.062 0.255 1
1 471 . 5 1 1 A 45 45 GLY CA C 45 45.889 44.855 1.034 1
1 472 . 5 1 1 A 45 45 GLY N N 45 112.770 110.769 2.001 1
1 473 . 5 1 1 A 46 46 LEU H H 46 7.800 7.525 0.275 1
1 474 . 5 1 1 A 46 46 LEU HA H 46 4.685 4.570 0.115 1
1 484 . 5 1 1 A 46 46 LEU C C 46 174.366 174.678 -0.312 1
1 485 . 5 1 1 A 46 46 LEU CA C 46 52.235 52.417 -0.182 1
1 486 . 5 1 1 A 46 46 LEU CB C 46 43.285 41.550 1.735 1
1 490 . 5 1 1 A 46 46 LEU N N 46 121.722 122.118 -0.396 1
1 491 . 5 1 1 A 47 47 PRO HA H 47 4.542 4.537 0.005 1
1 497 . 5 1 1 A 47 47 PRO C C 47 178.542 176.716 1.826 1
1 498 . 5 1 1 A 47 47 PRO CA C 47 62.000 62.408 -0.408 1
1 499 . 5 1 1 A 47 47 PRO CB C 47 32.731 33.321 -0.590 1
1 502 . 5 1 1 A 48 48 GLN H H 48 9.124 8.626 0.498 1
1 503 . 5 1 1 A 48 48 GLN HA H 48 3.629 4.049 -0.420 1
1 510 . 5 1 1 A 48 48 GLN C C 48 178.080 178.201 -0.121 1
1 511 . 5 1 1 A 48 48 GLN CA C 48 60.872 58.365 2.507 1
1 512 . 5 1 1 A 48 48 GLN CB C 48 28.455 28.521 -0.066 1
1 514 . 5 1 1 A 48 48 GLN N N 48 123.862 120.662 3.200 1
1 516 . 5 1 1 A 49 49 LYS H H 49 8.912 8.037 0.875 1
1 517 . 5 1 1 A 49 49 LYS HA H 49 3.969 4.124 -0.155 1
1 524 . 5 1 1 A 49 49 LYS C C 49 178.954 179.194 -0.240 1
1 525 . 5 1 1 A 49 49 LYS CA C 49 59.955 59.245 0.710 1
1 526 . 5 1 1 A 49 49 LYS CB C 49 32.327 32.062 0.265 1
1 530 . 5 1 1 A 49 49 LYS N N 49 116.406 118.812 -2.406 1
1 531 . 5 1 1 A 50 50 VAL H H 50 6.874 7.811 -0.937 1
1 532 . 5 1 1 A 50 50 VAL HA H 50 3.835 3.676 0.159 1
1 540 . 5 1 1 A 50 50 VAL C C 50 178.299 178.524 -0.225 1
1 541 . 5 1 1 A 50 50 VAL CA C 50 65.560 66.460 -0.900 1
1 542 . 5 1 1 A 50 50 VAL CB C 50 32.080 31.628 0.452 1
1 545 . 5 1 1 A 50 50 VAL N N 50 119.065 120.252 -1.187 1
1 546 . 5 1 1 A 51 51 ILE H H 51 7.503 8.001 -0.498 1
1 547 . 5 1 1 A 51 51 ILE HA H 51 3.672 3.741 -0.069 1
1 557 . 5 1 1 A 51 51 ILE C C 51 178.007 178.274 -0.267 1
1 558 . 5 1 1 A 51 51 ILE CA C 51 66.019 65.656 0.363 1
1 559 . 5 1 1 A 51 51 ILE CB C 51 38.081 37.743 0.338 1
1 563 . 5 1 1 A 51 51 ILE N N 51 121.254 120.617 0.637 1
1 564 . 5 1 1 A 52 52 LYS H H 52 8.596 8.110 0.486 1
1 565 . 5 1 1 A 52 52 LYS HA H 52 3.984 4.091 -0.107 1
1 572 . 5 1 1 A 52 52 LYS C C 52 179.302 179.115 0.187 1
1 573 . 5 1 1 A 52 52 LYS CA C 52 60.978 59.820 1.158 1
1 574 . 5 1 1 A 52 52 LYS CB C 52 32.574 32.487 0.087 1
1 578 . 5 1 1 A 52 52 LYS N N 52 118.531 119.758 -1.227 1
1 579 . 5 1 1 A 53 53 HIS H H 53 7.952 7.921 0.031 1
1 580 . 5 1 1 A 53 53 HIS HA H 53 4.324 4.372 -0.048 1
1 585 . 5 1 1 A 53 53 HIS C C 53 177.085 177.184 -0.099 1
1 586 . 5 1 1 A 53 53 HIS CA C 53 60.026 59.423 0.603 1
1 587 . 5 1 1 A 53 53 HIS CB C 53 30.867 30.522 0.345 1
1 590 . 5 1 1 A 53 53 HIS N N 53 118.728 119.122 -0.394 1
1 591 . 5 1 1 A 54 54 TRP H H 54 8.614 8.426 0.188 1
1 592 . 5 1 1 A 54 54 TRP HA H 54 4.048 4.099 -0.051 1
1 601 . 5 1 1 A 54 54 TRP C C 54 180.144 178.490 1.654 1
1 602 . 5 1 1 A 54 54 TRP CA C 54 62.916 61.145 1.771 1
1 603 . 5 1 1 A 54 54 TRP CB C 54 28.766 29.662 -0.896 1
1 609 . 5 1 1 A 54 54 TRP N N 54 121.845 121.772 0.073 1
1 611 . 5 1 1 A 55 55 PHE H H 55 9.035 8.565 0.470 1
1 612 . 5 1 1 A 55 55 PHE HA H 55 3.786 3.970 -0.184 1
1 620 . 5 1 1 A 55 55 PHE C C 55 178.129 177.991 0.138 1
1 621 . 5 1 1 A 55 55 PHE CA C 55 63.617 62.641 0.976 1
1 622 . 5 1 1 A 55 55 PHE CB C 55 39.260 38.669 0.591 1
1 628 . 5 1 1 A 55 55 PHE N N 55 120.180 117.995 2.185 1
1 629 . 5 1 1 A 56 56 ARG H H 56 7.962 8.572 -0.610 1
1 630 . 5 1 1 A 56 56 ARG HA H 56 4.095 4.004 0.091 1
1 636 . 5 1 1 A 56 56 ARG C C 56 178.444 178.153 0.291 1
1 637 . 5 1 1 A 56 56 ARG CA C 56 59.356 59.649 -0.293 1
1 638 . 5 1 1 A 56 56 ARG CB C 56 30.087 29.646 0.441 1
1 641 . 5 1 1 A 56 56 ARG N N 56 118.370 120.761 -2.391 1
1 642 . 5 1 1 A 57 57 ASN H H 57 8.194 8.398 -0.204 1
1 643 . 5 1 1 A 57 57 ASN HA H 57 4.401 4.272 0.129 1
1 648 . 5 1 1 A 57 57 ASN C C 57 176.866 177.780 -0.914 1
1 649 . 5 1 1 A 57 57 ASN CA C 57 55.497 56.303 -0.806 1
1 650 . 5 1 1 A 57 57 ASN CB C 57 38.640 38.854 -0.214 1
1 651 . 5 1 1 A 57 57 ASN N N 57 117.190 117.796 -0.606 1
1 653 . 5 1 1 A 58 58 THR H H 58 7.999 7.667 0.332 1
1 654 . 5 1 1 A 58 58 THR HA H 58 3.426 3.680 -0.254 1
1 659 . 5 1 1 A 58 58 THR C C 58 175.361 175.950 -0.589 1
1 660 . 5 1 1 A 58 58 THR CA C 58 65.801 66.796 -0.995 1
1 661 . 5 1 1 A 58 58 THR CB C 58 68.064 68.077 -0.013 1
1 663 . 5 1 1 A 58 58 THR N N 58 117.859 115.391 2.468 1
1 664 . 5 1 1 A 59 59 LEU H H 59 7.950 8.262 -0.312 1
1 665 . 5 1 1 A 59 59 LEU HA H 59 4.127 4.181 -0.054 1
1 674 . 5 1 1 A 59 59 LEU C C 59 177.886 178.880 -0.994 1
1 675 . 5 1 1 A 59 59 LEU CA C 59 57.628 58.598 -0.970 1
1 676 . 5 1 1 A 59 59 LEU CB C 59 42.296 41.935 0.361 1
1 680 . 5 1 1 A 59 59 LEU N N 59 122.280 121.258 1.022 1
1 681 . 5 1 1 A 60 60 PHE H H 60 7.797 8.897 -1.100 1
1 682 . 5 1 1 A 60 60 PHE HA H 60 4.309 4.002 0.307 1
1 690 . 5 1 1 A 60 60 PHE C C 60 177.085 177.552 -0.467 1
1 691 . 5 1 1 A 60 60 PHE CA C 60 59.920 61.638 -1.718 1
1 692 . 5 1 1 A 60 60 PHE CB C 60 38.918 39.515 -0.597 1
1 698 . 5 1 1 A 60 60 PHE N N 60 118.008 119.609 -1.601 1
1 699 . 5 1 1 A 61 61 LYS H H 61 7.839 8.050 -0.211 1
1 700 . 5 1 1 A 61 61 LYS HA H 61 4.007 3.988 0.019 1
1 707 . 5 1 1 A 61 61 LYS C C 61 178.032 179.475 -1.443 1
1 708 . 5 1 1 A 61 61 LYS CA C 61 58.016 59.845 -1.829 1
1 709 . 5 1 1 A 61 61 LYS CB C 61 32.657 31.954 0.703 1
1 713 . 5 1 1 A 61 61 LYS N N 61 119.447 118.761 0.686 1
1 714 . 5 1 1 A 62 62 GLU H H 62 8.139 8.533 -0.394 1
1 715 . 5 1 1 A 62 62 GLU HA H 62 4.146 4.135 0.011 1
1 720 . 5 1 1 A 62 62 GLU C C 62 177.595 179.082 -1.487 1
1 721 . 5 1 1 A 62 62 GLU CA C 62 57.699 58.953 -1.254 1
1 722 . 5 1 1 A 62 62 GLU CB C 62 29.608 29.344 0.264 1
1 724 . 5 1 1 A 62 62 GLU N N 62 119.302 119.563 -0.261 1
1 725 . 5 1 1 A 63 63 ARG H H 63 8.015 8.069 -0.054 1
1 726 . 5 1 1 A 63 63 ARG HA H 63 4.258 4.076 0.182 1
1 732 . 5 1 1 A 63 63 ARG C C 63 176.769 178.482 -1.713 1
1 733 . 5 1 1 A 63 63 ARG CA C 63 56.677 59.444 -2.767 1
1 734 . 5 1 1 A 63 63 ARG CB C 63 30.514 29.685 0.829 1
1 737 . 5 1 1 A 63 63 ARG N N 63 119.598 119.480 0.118 1
1 738 . 5 1 1 A 64 64 GLN H H 64 8.058 7.838 0.220 1
1 739 . 5 1 1 A 64 64 GLN HA H 64 4.242 4.133 0.109 1
1 745 . 5 1 1 A 64 64 GLN C C 64 176.114 176.139 -0.025 1
1 746 . 5 1 1 A 64 64 GLN CA C 64 56.148 58.420 -2.272 1
1 747 . 5 1 1 A 64 64 GLN CB C 64 29.258 28.466 0.792 1
1 749 . 5 1 1 A 64 64 GLN N N 64 120.027 116.674 3.353 1
1 751 . 5 1 1 A 65 65 SER H H 65 8.172 7.787 0.385 1
1 752 . 5 1 1 A 65 65 SER HA H 65 4.457 4.131 0.326 1
1 755 . 5 1 1 A 65 65 SER C C 65 174.487 174.146 0.341 1
1 756 . 5 1 1 A 65 65 SER CA C 65 58.404 60.009 -1.605 1
1 757 . 5 1 1 A 65 65 SER CB C 65 63.965 62.811 1.154 1
1 758 . 5 1 1 A 65 65 SER N N 65 116.070 116.427 -0.357 1
1 759 . 5 1 1 A 66 66 GLY H H 66 8.170 8.666 -0.496 1
1 760 . 5 1 1 A 66 66 GLY HA2 H 66 4.141 4.180 -0.039 1
1 761 . 5 1 1 A 66 66 GLY HA3 H 66 4.082 4.183 -0.101 1
1 762 . 5 1 1 A 66 66 GLY C C 66 171.768 173.869 -2.101 1
1 763 . 5 1 1 A 66 66 GLY CA C 66 44.620 44.368 0.252 1
1 764 . 5 1 1 A 66 66 GLY N N 66 110.579 113.648 -3.069 1
1 765 . 5 1 1 A 67 67 PRO HA H 67 4.453 4.553 -0.100 1
1 770 . 5 1 1 A 67 67 PRO C C 67 177.400 176.364 1.036 1
1 771 . 5 1 1 A 67 67 PRO CA C 67 63.198 63.686 -0.488 1
1 772 . 5 1 1 A 67 67 PRO CB C 67 32.171 31.830 0.341 1
1 775 . 5 1 1 A 68 68 SER H H 68 8.525 7.911 0.614 1
1 776 . 5 1 1 A 68 68 SER HA H 68 4.490 4.347 0.143 1
1 779 . 5 1 1 A 68 68 SER C C 68 174.657 175.975 -1.318 1
1 780 . 5 1 1 A 68 68 SER CA C 68 58.589 60.481 -1.892 1
1 781 . 5 1 1 A 68 68 SER CB C 68 63.800 63.324 0.476 1
1 782 . 5 1 1 A 68 68 SER N N 68 116.415 117.274 -0.859 1
1 783 . 5 1 1 A 69 69 SER H H 69 8.316 8.781 -0.465 1
1 784 . 5 1 1 A 69 69 SER HA H 69 4.467 4.194 0.273 1
1 787 . 5 1 1 A 69 69 SER C C 69 173.953 174.773 -0.820 1
1 788 . 5 1 1 A 69 69 SER CA C 69 58.369 61.861 -3.492 1
1 789 . 5 1 1 A 69 69 SER CB C 69 64.047 63.371 0.676 1
1 790 . 5 1 1 A 69 69 SER N N 69 117.832 120.859 -3.027 1
1 1 . 6 1 1 A 7 7 GLY H H 7 8.499 8.617 -0.118 1
1 2 . 6 1 1 A 7 7 GLY HA2 H 7 3.948 4.377 -0.429 1
1 3 . 6 1 1 A 7 7 GLY HA3 H 7 3.948 4.377 -0.429 1
1 4 . 6 1 1 A 7 7 GLY C C 7 173.949 172.135 1.814 1
1 5 . 6 1 1 A 7 7 GLY CA C 7 45.325 43.999 1.326 1
1 6 . 6 1 1 A 8 8 LYS H H 8 8.116 8.483 -0.367 1
1 7 . 6 1 1 A 8 8 LYS HA H 8 4.308 4.458 -0.150 1
1 14 . 6 1 1 A 8 8 LYS C C 8 176.504 175.491 1.013 1
1 15 . 6 1 1 A 8 8 LYS CA C 8 56.113 56.112 0.001 1
1 16 . 6 1 1 A 8 8 LYS CB C 8 33.151 32.954 0.197 1
1 20 . 6 1 1 A 8 8 LYS N N 8 120.734 121.738 -1.004 1
1 21 . 6 1 1 A 9 9 ARG H H 9 8.362 8.473 -0.111 1
1 22 . 6 1 1 A 9 9 ARG HA H 9 4.590 4.895 -0.305 1
1 27 . 6 1 1 A 9 9 ARG C C 9 176.479 175.777 0.702 1
1 28 . 6 1 1 A 9 9 ARG CA C 9 53.962 52.826 1.136 1
1 29 . 6 1 1 A 9 9 ARG CB C 9 30.103 32.043 -1.940 1
1 32 . 6 1 1 A 9 9 ARG N N 9 123.609 125.592 -1.983 1
1 33 . 6 1 1 A 10 10 PRO HA H 10 4.419 4.586 -0.167 1
1 39 . 6 1 1 A 10 10 PRO C C 10 176.796 176.457 0.339 1
1 40 . 6 1 1 A 10 10 PRO CA C 10 62.987 63.645 -0.658 1
1 41 . 6 1 1 A 10 10 PRO CB C 10 32.080 31.731 0.349 1
1 44 . 6 1 1 A 11 11 ARG H H 11 8.517 7.979 0.538 1
1 45 . 6 1 1 A 11 11 ARG C C 11 176.551 176.942 -0.391 1
1 46 . 6 1 1 A 11 11 ARG CA C 11 56.077 55.931 0.146 1
1 47 . 6 1 1 A 11 11 ARG CB C 11 30.762 31.003 -0.241 1
1 48 . 6 1 1 A 11 11 ARG N N 11 121.931 121.041 0.890 1
1 49 . 6 1 1 A 12 12 THR HA H 12 4.260 4.532 -0.272 1
1 54 . 6 1 1 A 12 12 THR C C 12 173.904 174.435 -0.531 1
1 55 . 6 1 1 A 12 12 THR CA C 12 62.218 60.813 1.405 1
1 56 . 6 1 1 A 12 12 THR CB C 12 69.843 68.532 1.311 1
1 58 . 6 1 1 A 13 13 ARG H H 13 8.434 7.712 0.722 1
1 59 . 6 1 1 A 13 13 ARG HA H 13 4.381 4.182 0.199 1
1 65 . 6 1 1 A 13 13 ARG C C 13 175.336 176.280 -0.944 1
1 66 . 6 1 1 A 13 13 ARG CA C 13 55.972 56.673 -0.701 1
1 67 . 6 1 1 A 13 13 ARG CB C 13 31.059 30.587 0.472 1
1 70 . 6 1 1 A 13 13 ARG N N 13 125.368 123.025 2.343 1
1 71 . 6 1 1 A 14 14 ILE H H 14 8.179 8.625 -0.446 1
1 72 . 6 1 1 A 14 14 ILE HA H 14 4.268 4.353 -0.085 1
1 82 . 6 1 1 A 14 14 ILE C C 14 176.844 175.554 1.290 1
1 83 . 6 1 1 A 14 14 ILE CA C 14 61.647 61.012 0.635 1
1 84 . 6 1 1 A 14 14 ILE CB C 14 39.248 37.618 1.630 1
1 88 . 6 1 1 A 14 14 ILE N N 14 123.951 125.972 -2.021 1
1 89 . 6 1 1 A 15 15 THR H H 15 8.922 8.398 0.524 1
1 90 . 6 1 1 A 15 15 THR HA H 15 4.386 4.727 -0.341 1
1 95 . 6 1 1 A 15 15 THR C C 15 175.263 174.784 0.479 1
1 96 . 6 1 1 A 15 15 THR CA C 15 61.402 59.904 1.498 1
1 97 . 6 1 1 A 15 15 THR CB C 15 70.796 71.466 -0.670 1
1 99 . 6 1 1 A 15 15 THR N N 15 119.222 118.913 0.309 1
1 100 . 6 1 1 A 16 16 ASP H H 16 8.951 8.928 0.023 1
1 101 . 6 1 1 A 16 16 ASP HA H 16 4.353 4.298 0.055 1
1 104 . 6 1 1 A 16 16 ASP C C 16 178.888 178.064 0.824 1
1 105 . 6 1 1 A 16 16 ASP CA C 16 58.016 57.293 0.723 1
1 106 . 6 1 1 A 16 16 ASP CB C 16 40.154 40.197 -0.043 1
1 107 . 6 1 1 A 16 16 ASP N N 16 120.852 126.460 -5.608 1
1 108 . 6 1 1 A 17 17 ASP H H 17 8.387 8.205 0.182 1
1 109 . 6 1 1 A 17 17 ASP HA H 17 4.361 4.379 -0.018 1
1 112 . 6 1 1 A 17 17 ASP C C 17 178.815 178.491 0.324 1
1 113 . 6 1 1 A 17 17 ASP CA C 17 57.311 56.332 0.979 1
1 114 . 6 1 1 A 17 17 ASP CB C 17 40.649 40.512 0.137 1
1 115 . 6 1 1 A 17 17 ASP N N 17 118.488 119.626 -1.138 1
1 116 . 6 1 1 A 18 18 GLN H H 18 7.561 7.638 -0.077 1
1 117 . 6 1 1 A 18 18 GLN HA H 18 3.844 4.165 -0.321 1
1 124 . 6 1 1 A 18 18 GLN C C 18 177.988 178.127 -0.139 1
1 125 . 6 1 1 A 18 18 GLN CA C 18 58.933 58.309 0.624 1
1 126 . 6 1 1 A 18 18 GLN CB C 18 28.702 28.907 -0.205 1
1 128 . 6 1 1 A 18 18 GLN N N 18 119.852 120.317 -0.465 1
1 130 . 6 1 1 A 19 19 LEU H H 19 8.538 8.312 0.226 1
1 131 . 6 1 1 A 19 19 LEU HA H 19 3.549 3.778 -0.229 1
1 141 . 6 1 1 A 19 19 LEU C C 19 178.202 178.296 -0.094 1
1 142 . 6 1 1 A 19 19 LEU CA C 19 57.593 57.782 -0.189 1
1 143 . 6 1 1 A 19 19 LEU CB C 19 41.720 41.484 0.236 1
1 147 . 6 1 1 A 19 19 LEU N N 19 120.203 122.165 -1.962 1
1 148 . 6 1 1 A 20 20 ARG H H 20 7.644 8.110 -0.466 1
1 149 . 6 1 1 A 20 20 ARG HA H 20 3.893 4.109 -0.216 1
1 155 . 6 1 1 A 20 20 ARG C C 20 179.148 178.307 0.841 1
1 156 . 6 1 1 A 20 20 ARG CA C 20 59.744 58.711 1.033 1
1 157 . 6 1 1 A 20 20 ARG CB C 20 29.855 29.948 -0.093 1
1 160 . 6 1 1 A 20 20 ARG N N 20 117.442 117.671 -0.229 1
1 161 . 6 1 1 A 21 21 VAL H H 21 7.074 7.776 -0.702 1
1 162 . 6 1 1 A 21 21 VAL HA H 21 3.726 3.667 0.059 1
1 170 . 6 1 1 A 21 21 VAL C C 21 177.643 178.526 -0.883 1
1 171 . 6 1 1 A 21 21 VAL CA C 21 66.098 66.111 -0.013 1
1 172 . 6 1 1 A 21 21 VAL CB C 21 31.750 31.737 0.013 1
1 175 . 6 1 1 A 21 21 VAL N N 21 118.796 120.757 -1.961 1
1 176 . 6 1 1 A 22 22 LEU H H 22 7.620 7.883 -0.263 1
1 177 . 6 1 1 A 22 22 LEU HA H 22 3.947 4.034 -0.087 1
1 187 . 6 1 1 A 22 22 LEU C C 22 178.979 178.801 0.178 1
1 188 . 6 1 1 A 22 22 LEU CA C 22 58.369 57.834 0.535 1
1 189 . 6 1 1 A 22 22 LEU CB C 22 38.869 40.377 -1.508 1
1 193 . 6 1 1 A 22 22 LEU N N 22 119.184 119.499 -0.315 1
1 194 . 6 1 1 A 23 23 ARG H H 23 8.451 8.608 -0.157 1
1 195 . 6 1 1 A 23 23 ARG HA H 23 4.054 4.134 -0.080 1
1 202 . 6 1 1 A 23 23 ARG C C 23 178.177 179.573 -1.396 1
1 203 . 6 1 1 A 23 23 ARG CA C 23 59.157 60.180 -1.023 1
1 204 . 6 1 1 A 23 23 ARG CB C 23 29.772 30.197 -0.425 1
1 207 . 6 1 1 A 23 23 ARG N N 23 116.571 117.798 -1.227 1
1 208 . 6 1 1 A 24 24 GLN H H 24 7.749 8.272 -0.523 1
1 209 . 6 1 1 A 24 24 GLN HA H 24 4.129 4.015 0.114 1
1 216 . 6 1 1 A 24 24 GLN C C 24 179.100 178.587 0.513 1
1 217 . 6 1 1 A 24 24 GLN CA C 24 58.827 58.997 -0.170 1
1 218 . 6 1 1 A 24 24 GLN CB C 24 28.290 28.311 -0.021 1
1 220 . 6 1 1 A 24 24 GLN N N 24 118.256 118.737 -0.481 1
1 222 . 6 1 1 A 25 25 TYR H H 25 7.902 8.377 -0.475 1
1 223 . 6 1 1 A 25 25 TYR HA H 25 4.295 4.330 -0.035 1
1 230 . 6 1 1 A 25 25 TYR C C 25 178.080 178.637 -0.557 1
1 231 . 6 1 1 A 25 25 TYR CA C 25 61.506 60.818 0.688 1
1 232 . 6 1 1 A 25 25 TYR CB C 25 39.001 37.704 1.297 1
1 237 . 6 1 1 A 25 25 TYR N N 25 117.374 120.301 -2.927 1
1 238 . 6 1 1 A 26 26 PHE H H 26 8.935 8.915 0.020 1
1 239 . 6 1 1 A 26 26 PHE HA H 26 4.366 4.529 -0.163 1
1 247 . 6 1 1 A 26 26 PHE C C 26 175.847 176.629 -0.782 1
1 248 . 6 1 1 A 26 26 PHE CA C 26 61.452 61.998 -0.546 1
1 249 . 6 1 1 A 26 26 PHE CB C 26 39.538 39.427 0.111 1
1 255 . 6 1 1 A 27 27 ASP H H 27 8.138 8.224 -0.086 1
1 256 . 6 1 1 A 27 27 ASP HA H 27 4.407 4.415 -0.008 1
1 259 . 6 1 1 A 27 27 ASP C C 27 177.546 178.333 -0.787 1
1 260 . 6 1 1 A 27 27 ASP CA C 27 56.007 57.364 -1.357 1
1 261 . 6 1 1 A 27 27 ASP CB C 27 40.813 41.148 -0.335 1
1 262 . 6 1 1 A 27 27 ASP N N 27 116.760 119.003 -2.243 1
1 263 . 6 1 1 A 28 28 ILE H H 28 7.463 7.224 0.239 1
1 264 . 6 1 1 A 28 28 ILE HA H 28 3.945 3.804 0.141 1
1 274 . 6 1 1 A 28 28 ILE C C 28 176.260 176.277 -0.017 1
1 275 . 6 1 1 A 28 28 ILE CA C 28 62.881 64.748 -1.867 1
1 276 . 6 1 1 A 28 28 ILE CB C 28 38.836 38.059 0.777 1
1 280 . 6 1 1 A 28 28 ILE N N 28 119.169 118.913 0.256 1
1 281 . 6 1 1 A 29 29 ASN H H 29 8.214 8.306 -0.092 1
1 282 . 6 1 1 A 29 29 ASN HA H 29 4.620 4.996 -0.376 1
1 287 . 6 1 1 A 29 29 ASN C C 29 173.633 175.478 -1.845 1
1 288 . 6 1 1 A 29 29 ASN CA C 29 53.081 51.457 1.624 1
1 289 . 6 1 1 A 29 29 ASN CB C 29 39.330 41.488 -2.158 1
1 290 . 6 1 1 A 29 29 ASN N N 29 117.989 115.539 2.450 1
1 292 . 6 1 1 A 30 30 ASN H H 30 8.383 8.567 -0.184 1
1 293 . 6 1 1 A 30 30 ASN HA H 30 4.231 3.923 0.308 1
1 298 . 6 1 1 A 30 30 ASN C C 30 174.338 175.116 -0.778 1
1 299 . 6 1 1 A 30 30 ASN CA C 30 53.610 56.653 -3.043 1
1 300 . 6 1 1 A 30 30 ASN CB C 30 38.836 38.295 0.541 1
1 301 . 6 1 1 A 30 30 ASN N N 30 120.522 122.294 -1.772 1
1 303 . 6 1 1 A 31 31 SER H H 31 7.941 7.965 -0.024 1
1 304 . 6 1 1 A 31 31 SER HA H 31 4.795 4.678 0.117 1
1 307 . 6 1 1 A 31 31 SER C C 31 174.387 172.294 2.093 1
1 308 . 6 1 1 A 31 31 SER CA C 31 54.843 54.681 0.162 1
1 309 . 6 1 1 A 31 31 SER CB C 31 63.553 64.586 -1.033 1
1 310 . 6 1 1 A 31 31 SER N N 31 112.907 112.719 0.188 1
1 311 . 6 1 1 A 32 32 PRO HA H 32 4.437 4.651 -0.214 1
1 318 . 6 1 1 A 32 32 PRO C C 32 176.844 176.155 0.689 1
1 319 . 6 1 1 A 32 32 PRO CA C 32 62.180 62.033 0.147 1
1 320 . 6 1 1 A 32 32 PRO CB C 32 32.380 31.916 0.464 1
1 323 . 6 1 1 A 33 33 SER H H 33 8.658 8.373 0.285 1
1 324 . 6 1 1 A 33 33 SER HA H 33 4.462 4.631 -0.169 1
1 327 . 6 1 1 A 33 33 SER C C 33 175.068 175.846 -0.778 1
1 328 . 6 1 1 A 33 33 SER CA C 33 56.539 56.546 -0.007 1
1 329 . 6 1 1 A 33 33 SER CB C 33 65.613 65.577 0.036 1
1 330 . 6 1 1 A 33 33 SER N N 33 117.201 114.623 2.578 1
1 331 . 6 1 1 A 34 34 GLU H H 34 8.983 9.022 -0.039 1
1 332 . 6 1 1 A 34 34 GLU HA H 34 3.885 3.967 -0.082 1
1 337 . 6 1 1 A 34 34 GLU C C 34 179.464 178.448 1.016 1
1 338 . 6 1 1 A 34 34 GLU CA C 34 59.990 59.268 0.722 1
1 339 . 6 1 1 A 34 34 GLU CB C 34 29.031 29.198 -0.167 1
1 341 . 6 1 1 A 34 34 GLU N N 34 120.557 121.479 -0.922 1
1 342 . 6 1 1 A 35 35 GLU H H 35 8.672 8.117 0.555 1
1 343 . 6 1 1 A 35 35 GLU HA H 35 3.989 4.080 -0.091 1
1 348 . 6 1 1 A 35 35 GLU C C 35 179.440 178.943 0.497 1
1 349 . 6 1 1 A 35 35 GLU CA C 35 60.096 59.060 1.036 1
1 350 . 6 1 1 A 35 35 GLU CB C 35 28.949 29.630 -0.681 1
1 352 . 6 1 1 A 35 35 GLU N N 35 119.112 119.851 -0.739 1
1 353 . 6 1 1 A 36 36 GLN H H 36 7.705 8.040 -0.335 1
1 354 . 6 1 1 A 36 36 GLN HA H 36 4.012 4.129 -0.117 1
1 360 . 6 1 1 A 36 36 GLN C C 36 178.372 178.205 0.167 1
1 361 . 6 1 1 A 36 36 GLN CA C 36 58.968 58.252 0.716 1
1 362 . 6 1 1 A 36 36 GLN CB C 36 28.290 28.222 0.068 1
1 364 . 6 1 1 A 36 36 GLN N N 36 120.638 119.056 1.582 1
1 366 . 6 1 1 A 37 37 ILE H H 37 8.308 8.472 -0.164 1
1 367 . 6 1 1 A 37 37 ILE HA H 37 3.474 3.686 -0.212 1
1 377 . 6 1 1 A 37 37 ILE C C 37 177.400 178.594 -1.194 1
1 378 . 6 1 1 A 37 37 ILE CA C 37 65.173 64.608 0.565 1
1 379 . 6 1 1 A 37 37 ILE CB C 37 36.447 37.758 -1.311 1
1 383 . 6 1 1 A 37 37 ILE N N 37 121.515 120.367 1.148 1
1 384 . 6 1 1 A 38 38 LYS H H 38 7.808 7.825 -0.017 1
1 385 . 6 1 1 A 38 38 LYS HA H 38 3.803 4.021 -0.218 1
1 393 . 6 1 1 A 38 38 LYS C C 38 178.153 178.749 -0.596 1
1 394 . 6 1 1 A 38 38 LYS CA C 38 60.096 59.201 0.895 1
1 395 . 6 1 1 A 38 38 LYS CB C 38 31.833 32.569 -0.736 1
1 399 . 6 1 1 A 38 38 LYS N N 38 120.672 122.425 -1.753 1
1 400 . 6 1 1 A 39 39 GLU H H 39 7.719 8.078 -0.359 1
1 401 . 6 1 1 A 39 39 GLU HA H 39 4.089 4.065 0.024 1
1 406 . 6 1 1 A 39 39 GLU C C 39 179.278 178.300 0.978 1
1 407 . 6 1 1 A 39 39 GLU CA C 39 59.522 59.174 0.348 1
1 408 . 6 1 1 A 39 39 GLU CB C 39 29.773 28.984 0.789 1
1 410 . 6 1 1 A 39 39 GLU N N 39 119.510 117.543 1.967 1
1 411 . 6 1 1 A 40 40 MET H H 40 8.167 8.350 -0.183 1
1 412 . 6 1 1 A 40 40 MET HA H 40 3.599 4.253 -0.654 1
1 420 . 6 1 1 A 40 40 MET C C 40 179.813 178.370 1.443 1
1 421 . 6 1 1 A 40 40 MET CA C 40 59.533 58.716 0.817 1
1 422 . 6 1 1 A 40 40 MET CB C 40 35.410 33.090 2.320 1
1 425 . 6 1 1 A 40 40 MET N N 40 117.312 118.984 -1.672 1
1 426 . 6 1 1 A 41 41 ALA H H 41 8.689 7.946 0.743 1
1 427 . 6 1 1 A 41 41 ALA HA H 41 4.102 4.364 -0.262 1
1 431 . 6 1 1 A 41 41 ALA C C 41 179.610 179.098 0.512 1
1 432 . 6 1 1 A 41 41 ALA CA C 41 55.866 54.960 0.906 1
1 433 . 6 1 1 A 41 41 ALA CB C 41 18.609 18.517 0.092 1
1 434 . 6 1 1 A 41 41 ALA N N 41 128.620 121.341 7.279 1
1 435 . 6 1 1 A 42 42 ASP H H 42 8.324 7.329 0.995 1
1 436 . 6 1 1 A 42 42 ASP HA H 42 4.306 4.491 -0.185 1
1 439 . 6 1 1 A 42 42 ASP C C 42 179.003 178.598 0.405 1
1 440 . 6 1 1 A 42 42 ASP CA C 42 57.241 56.346 0.895 1
1 441 . 6 1 1 A 42 42 ASP CB C 42 40.319 41.195 -0.876 1
1 442 . 6 1 1 A 42 42 ASP N N 42 120.159 118.113 2.046 1
1 443 . 6 1 1 A 43 43 LYS H H 43 8.036 7.523 0.513 1
1 444 . 6 1 1 A 43 43 LYS HA H 43 4.155 4.045 0.110 1
1 452 . 6 1 1 A 43 43 LYS C C 43 178.105 178.538 -0.433 1
1 453 . 6 1 1 A 43 43 LYS CA C 43 58.580 59.331 -0.751 1
1 454 . 6 1 1 A 43 43 LYS CB C 43 33.893 32.280 1.613 1
1 458 . 6 1 1 A 43 43 LYS N N 43 116.586 119.195 -2.609 1
1 459 . 6 1 1 A 44 44 SER H H 44 8.314 8.252 0.062 1
1 460 . 6 1 1 A 44 44 SER HA H 44 4.486 4.529 -0.043 1
1 463 . 6 1 1 A 44 44 SER C C 44 175.458 175.378 0.080 1
1 464 . 6 1 1 A 44 44 SER CA C 44 59.955 58.907 1.048 1
1 465 . 6 1 1 A 44 44 SER CB C 44 66.025 64.692 1.333 1
1 466 . 6 1 1 A 44 44 SER N N 44 111.140 110.847 0.293 1
1 467 . 6 1 1 A 45 45 GLY H H 45 8.249 7.872 0.377 1
1 468 . 6 1 1 A 45 45 GLY HA2 H 45 3.872 4.002 -0.130 1
1 469 . 6 1 1 A 45 45 GLY HA3 H 45 4.233 4.004 0.229 1
1 470 . 6 1 1 A 45 45 GLY C C 45 174.317 174.145 0.172 1
1 471 . 6 1 1 A 45 45 GLY CA C 45 45.889 44.870 1.019 1
1 472 . 6 1 1 A 45 45 GLY N N 45 112.770 110.697 2.073 1
1 473 . 6 1 1 A 46 46 LEU H H 46 7.800 7.524 0.276 1
1 474 . 6 1 1 A 46 46 LEU HA H 46 4.685 4.569 0.116 1
1 484 . 6 1 1 A 46 46 LEU C C 46 174.366 174.628 -0.262 1
1 485 . 6 1 1 A 46 46 LEU CA C 46 52.235 52.485 -0.250 1
1 486 . 6 1 1 A 46 46 LEU CB C 46 43.285 41.494 1.791 1
1 490 . 6 1 1 A 46 46 LEU N N 46 121.722 122.255 -0.533 1
1 491 . 6 1 1 A 47 47 PRO HA H 47 4.542 4.522 0.020 1
1 497 . 6 1 1 A 47 47 PRO C C 47 178.542 177.158 1.384 1
1 498 . 6 1 1 A 47 47 PRO CA C 47 62.000 62.455 -0.455 1
1 499 . 6 1 1 A 47 47 PRO CB C 47 32.731 32.843 -0.112 1
1 502 . 6 1 1 A 48 48 GLN H H 48 9.124 8.552 0.572 1
1 503 . 6 1 1 A 48 48 GLN HA H 48 3.629 4.015 -0.386 1
1 510 . 6 1 1 A 48 48 GLN C C 48 178.080 178.100 -0.020 1
1 511 . 6 1 1 A 48 48 GLN CA C 48 60.872 58.742 2.130 1
1 512 . 6 1 1 A 48 48 GLN CB C 48 28.455 28.184 0.271 1
1 514 . 6 1 1 A 48 48 GLN N N 48 123.862 121.199 2.663 1
1 516 . 6 1 1 A 49 49 LYS H H 49 8.912 8.067 0.845 1
1 517 . 6 1 1 A 49 49 LYS HA H 49 3.969 4.125 -0.156 1
1 524 . 6 1 1 A 49 49 LYS C C 49 178.954 179.133 -0.179 1
1 525 . 6 1 1 A 49 49 LYS CA C 49 59.955 59.101 0.854 1
1 526 . 6 1 1 A 49 49 LYS CB C 49 32.327 32.156 0.171 1
1 530 . 6 1 1 A 49 49 LYS N N 49 116.406 118.620 -2.214 1
1 531 . 6 1 1 A 50 50 VAL H H 50 6.874 7.840 -0.966 1
1 532 . 6 1 1 A 50 50 VAL HA H 50 3.835 3.705 0.130 1
1 540 . 6 1 1 A 50 50 VAL C C 50 178.299 178.240 0.059 1
1 541 . 6 1 1 A 50 50 VAL CA C 50 65.560 66.502 -0.942 1
1 542 . 6 1 1 A 50 50 VAL CB C 50 32.080 31.677 0.403 1
1 545 . 6 1 1 A 50 50 VAL N N 50 119.065 120.520 -1.455 1
1 546 . 6 1 1 A 51 51 ILE H H 51 7.503 8.153 -0.650 1
1 547 . 6 1 1 A 51 51 ILE HA H 51 3.672 3.647 0.025 1
1 557 . 6 1 1 A 51 51 ILE C C 51 178.007 178.361 -0.354 1
1 558 . 6 1 1 A 51 51 ILE CA C 51 66.019 65.791 0.228 1
1 559 . 6 1 1 A 51 51 ILE CB C 51 38.081 38.056 0.025 1
1 563 . 6 1 1 A 51 51 ILE N N 51 121.254 119.788 1.466 1
1 564 . 6 1 1 A 52 52 LYS H H 52 8.596 7.839 0.757 1
1 565 . 6 1 1 A 52 52 LYS HA H 52 3.984 4.118 -0.134 1
1 572 . 6 1 1 A 52 52 LYS C C 52 179.302 179.829 -0.527 1
1 573 . 6 1 1 A 52 52 LYS CA C 52 60.978 59.742 1.236 1
1 574 . 6 1 1 A 52 52 LYS CB C 52 32.574 32.461 0.113 1
1 578 . 6 1 1 A 52 52 LYS N N 52 118.531 119.301 -0.770 1
1 579 . 6 1 1 A 53 53 HIS H H 53 7.952 8.805 -0.853 1
1 580 . 6 1 1 A 53 53 HIS HA H 53 4.324 4.312 0.012 1
1 585 . 6 1 1 A 53 53 HIS C C 53 177.085 178.077 -0.992 1
1 586 . 6 1 1 A 53 53 HIS CA C 53 60.026 58.979 1.047 1
1 587 . 6 1 1 A 53 53 HIS CB C 53 30.867 30.478 0.389 1
1 590 . 6 1 1 A 53 53 HIS N N 53 118.728 118.281 0.447 1
1 591 . 6 1 1 A 54 54 TRP H H 54 8.614 8.691 -0.077 1
1 592 . 6 1 1 A 54 54 TRP HA H 54 4.048 4.331 -0.283 1
1 601 . 6 1 1 A 54 54 TRP C C 54 180.144 178.392 1.752 1
1 602 . 6 1 1 A 54 54 TRP CA C 54 62.916 61.212 1.704 1
1 603 . 6 1 1 A 54 54 TRP CB C 54 28.766 29.653 -0.887 1
1 609 . 6 1 1 A 54 54 TRP N N 54 121.845 121.585 0.260 1
1 611 . 6 1 1 A 55 55 PHE H H 55 9.035 8.508 0.527 1
1 612 . 6 1 1 A 55 55 PHE HA H 55 3.786 4.151 -0.365 1
1 620 . 6 1 1 A 55 55 PHE C C 55 178.129 178.096 0.033 1
1 621 . 6 1 1 A 55 55 PHE CA C 55 63.617 62.649 0.968 1
1 622 . 6 1 1 A 55 55 PHE CB C 55 39.260 38.646 0.614 1
1 628 . 6 1 1 A 55 55 PHE N N 55 120.180 118.059 2.121 1
1 629 . 6 1 1 A 56 56 ARG H H 56 7.962 8.374 -0.412 1
1 630 . 6 1 1 A 56 56 ARG HA H 56 4.095 4.023 0.072 1
1 636 . 6 1 1 A 56 56 ARG C C 56 178.444 178.500 -0.056 1
1 637 . 6 1 1 A 56 56 ARG CA C 56 59.356 59.685 -0.329 1
1 638 . 6 1 1 A 56 56 ARG CB C 56 30.087 29.685 0.402 1
1 641 . 6 1 1 A 56 56 ARG N N 56 118.370 120.817 -2.447 1
1 642 . 6 1 1 A 57 57 ASN H H 57 8.194 8.600 -0.406 1
1 643 . 6 1 1 A 57 57 ASN HA H 57 4.401 4.324 0.077 1
1 648 . 6 1 1 A 57 57 ASN C C 57 176.866 177.946 -1.080 1
1 649 . 6 1 1 A 57 57 ASN CA C 57 55.497 56.222 -0.725 1
1 650 . 6 1 1 A 57 57 ASN CB C 57 38.640 38.073 0.567 1
1 651 . 6 1 1 A 57 57 ASN N N 57 117.190 117.227 -0.037 1
1 653 . 6 1 1 A 58 58 THR H H 58 7.999 7.992 0.007 1
1 654 . 6 1 1 A 58 58 THR HA H 58 3.426 3.625 -0.199 1
1 659 . 6 1 1 A 58 58 THR C C 58 175.361 176.025 -0.664 1
1 660 . 6 1 1 A 58 58 THR CA C 58 65.801 66.798 -0.997 1
1 661 . 6 1 1 A 58 58 THR CB C 58 68.064 67.834 0.230 1
1 663 . 6 1 1 A 58 58 THR N N 58 117.859 115.873 1.986 1
1 664 . 6 1 1 A 59 59 LEU H H 59 7.950 8.245 -0.295 1
1 665 . 6 1 1 A 59 59 LEU HA H 59 4.127 4.265 -0.138 1
1 674 . 6 1 1 A 59 59 LEU C C 59 177.886 178.852 -0.966 1
1 675 . 6 1 1 A 59 59 LEU CA C 59 57.628 58.659 -1.031 1
1 676 . 6 1 1 A 59 59 LEU CB C 59 42.296 41.977 0.319 1
1 680 . 6 1 1 A 59 59 LEU N N 59 122.280 121.414 0.866 1
1 681 . 6 1 1 A 60 60 PHE H H 60 7.797 8.911 -1.114 1
1 682 . 6 1 1 A 60 60 PHE HA H 60 4.309 4.023 0.286 1
1 690 . 6 1 1 A 60 60 PHE C C 60 177.085 177.719 -0.634 1
1 691 . 6 1 1 A 60 60 PHE CA C 60 59.920 61.386 -1.466 1
1 692 . 6 1 1 A 60 60 PHE CB C 60 38.918 39.515 -0.597 1
1 698 . 6 1 1 A 60 60 PHE N N 60 118.008 119.550 -1.542 1
1 699 . 6 1 1 A 61 61 LYS H H 61 7.839 8.251 -0.412 1
1 700 . 6 1 1 A 61 61 LYS HA H 61 4.007 4.119 -0.112 1
1 707 . 6 1 1 A 61 61 LYS C C 61 178.032 179.144 -1.112 1
1 708 . 6 1 1 A 61 61 LYS CA C 61 58.016 59.367 -1.351 1
1 709 . 6 1 1 A 61 61 LYS CB C 61 32.657 31.713 0.944 1
1 713 . 6 1 1 A 61 61 LYS N N 61 119.447 118.920 0.527 1
1 714 . 6 1 1 A 62 62 GLU H H 62 8.139 8.213 -0.074 1
1 715 . 6 1 1 A 62 62 GLU HA H 62 4.146 4.158 -0.012 1
1 720 . 6 1 1 A 62 62 GLU C C 62 177.595 179.321 -1.726 1
1 721 . 6 1 1 A 62 62 GLU CA C 62 57.699 59.137 -1.438 1
1 722 . 6 1 1 A 62 62 GLU CB C 62 29.608 29.475 0.133 1
1 724 . 6 1 1 A 62 62 GLU N N 62 119.302 118.289 1.013 1
1 725 . 6 1 1 A 63 63 ARG H H 63 8.015 7.856 0.159 1
1 726 . 6 1 1 A 63 63 ARG HA H 63 4.258 4.082 0.176 1
1 732 . 6 1 1 A 63 63 ARG C C 63 176.769 178.803 -2.034 1
1 733 . 6 1 1 A 63 63 ARG CA C 63 56.677 59.047 -2.370 1
1 734 . 6 1 1 A 63 63 ARG CB C 63 30.514 30.417 0.097 1
1 737 . 6 1 1 A 63 63 ARG N N 63 119.598 119.601 -0.003 1
1 738 . 6 1 1 A 64 64 GLN H H 64 8.058 8.340 -0.282 1
1 739 . 6 1 1 A 64 64 GLN HA H 64 4.242 4.145 0.097 1
1 745 . 6 1 1 A 64 64 GLN C C 64 176.114 176.295 -0.181 1
1 746 . 6 1 1 A 64 64 GLN CA C 64 56.148 58.354 -2.206 1
1 747 . 6 1 1 A 64 64 GLN CB C 64 29.258 28.113 1.145 1
1 749 . 6 1 1 A 64 64 GLN N N 64 120.027 117.746 2.281 1
1 751 . 6 1 1 A 65 65 SER H H 65 8.172 7.479 0.693 1
1 752 . 6 1 1 A 65 65 SER HA H 65 4.457 4.402 0.055 1
1 755 . 6 1 1 A 65 65 SER C C 65 174.487 175.082 -0.595 1
1 756 . 6 1 1 A 65 65 SER CA C 65 58.404 58.463 -0.059 1
1 757 . 6 1 1 A 65 65 SER CB C 65 63.965 63.504 0.461 1
1 758 . 6 1 1 A 65 65 SER N N 65 116.070 114.647 1.423 1
1 759 . 6 1 1 A 66 66 GLY H H 66 8.170 8.391 -0.221 1
1 760 . 6 1 1 A 66 66 GLY HA2 H 66 4.141 4.210 -0.069 1
1 761 . 6 1 1 A 66 66 GLY HA3 H 66 4.082 4.211 -0.129 1
1 762 . 6 1 1 A 66 66 GLY C C 66 171.768 174.293 -2.525 1
1 763 . 6 1 1 A 66 66 GLY CA C 66 44.620 44.645 -0.025 1
1 764 . 6 1 1 A 66 66 GLY N N 66 110.579 111.470 -0.891 1
1 765 . 6 1 1 A 67 67 PRO HA H 67 4.453 4.477 -0.024 1
1 770 . 6 1 1 A 67 67 PRO C C 67 177.400 175.830 1.570 1
1 771 . 6 1 1 A 67 67 PRO CA C 67 63.198 63.860 -0.662 1
1 772 . 6 1 1 A 67 67 PRO CB C 67 32.171 31.527 0.644 1
1 775 . 6 1 1 A 68 68 SER H H 68 8.525 7.626 0.899 1
1 776 . 6 1 1 A 68 68 SER HA H 68 4.490 4.933 -0.443 1
1 779 . 6 1 1 A 68 68 SER C C 68 174.657 173.340 1.317 1
1 780 . 6 1 1 A 68 68 SER CA C 68 58.589 56.440 2.149 1
1 781 . 6 1 1 A 68 68 SER CB C 68 63.800 66.082 -2.282 1
1 782 . 6 1 1 A 68 68 SER N N 68 116.415 114.803 1.612 1
1 783 . 6 1 1 A 69 69 SER H H 69 8.316 8.745 -0.429 1
1 784 . 6 1 1 A 69 69 SER HA H 69 4.467 5.402 -0.935 1
1 787 . 6 1 1 A 69 69 SER C C 69 173.953 174.280 -0.327 1
1 788 . 6 1 1 A 69 69 SER CA C 69 58.369 56.244 2.125 1
1 789 . 6 1 1 A 69 69 SER CB C 69 64.047 66.082 -2.035 1
1 790 . 6 1 1 A 69 69 SER N N 69 117.832 116.417 1.415 1
1 1 . 7 1 1 A 7 7 GLY H H 7 8.499 8.436 0.063 1
1 2 . 7 1 1 A 7 7 GLY HA2 H 7 3.948 4.207 -0.259 1
1 3 . 7 1 1 A 7 7 GLY HA3 H 7 3.948 4.221 -0.273 1
1 4 . 7 1 1 A 7 7 GLY C C 7 173.949 174.569 -0.620 1
1 5 . 7 1 1 A 7 7 GLY CA C 7 45.325 44.913 0.412 1
1 6 . 7 1 1 A 8 8 LYS H H 8 8.116 8.737 -0.621 1
1 7 . 7 1 1 A 8 8 LYS HA H 8 4.308 4.383 -0.075 1
1 14 . 7 1 1 A 8 8 LYS C C 8 176.504 176.450 0.054 1
1 15 . 7 1 1 A 8 8 LYS CA C 8 56.113 57.734 -1.621 1
1 16 . 7 1 1 A 8 8 LYS CB C 8 33.151 32.997 0.154 1
1 20 . 7 1 1 A 8 8 LYS N N 8 120.734 120.894 -0.160 1
1 21 . 7 1 1 A 9 9 ARG H H 9 8.362 7.693 0.669 1
1 22 . 7 1 1 A 9 9 ARG HA H 9 4.590 4.795 -0.205 1
1 27 . 7 1 1 A 9 9 ARG C C 9 176.479 174.426 2.053 1
1 28 . 7 1 1 A 9 9 ARG CA C 9 53.962 53.989 -0.027 1
1 29 . 7 1 1 A 9 9 ARG CB C 9 30.103 31.556 -1.453 1
1 32 . 7 1 1 A 9 9 ARG N N 9 123.609 116.887 6.722 1
1 33 . 7 1 1 A 10 10 PRO HA H 10 4.419 4.648 -0.229 1
1 39 . 7 1 1 A 10 10 PRO C C 10 176.796 177.510 -0.714 1
1 40 . 7 1 1 A 10 10 PRO CA C 10 62.987 62.421 0.566 1
1 41 . 7 1 1 A 10 10 PRO CB C 10 32.080 30.354 1.726 1
1 44 . 7 1 1 A 11 11 ARG H H 11 8.517 8.415 0.102 1
1 45 . 7 1 1 A 11 11 ARG C C 11 176.551 176.161 0.390 1
1 46 . 7 1 1 A 11 11 ARG CA C 11 56.077 59.332 -3.255 1
1 47 . 7 1 1 A 11 11 ARG CB C 11 30.762 30.363 0.399 1
1 48 . 7 1 1 A 11 11 ARG N N 11 121.931 125.213 -3.282 1
1 49 . 7 1 1 A 12 12 THR HA H 12 4.260 4.379 -0.119 1
1 54 . 7 1 1 A 12 12 THR C C 12 173.904 174.382 -0.478 1
1 55 . 7 1 1 A 12 12 THR CA C 12 62.218 61.795 0.423 1
1 56 . 7 1 1 A 12 12 THR CB C 12 69.843 68.391 1.452 1
1 58 . 7 1 1 A 13 13 ARG H H 13 8.434 8.621 -0.187 1
1 59 . 7 1 1 A 13 13 ARG HA H 13 4.381 4.276 0.105 1
1 65 . 7 1 1 A 13 13 ARG C C 13 175.336 176.305 -0.969 1
1 66 . 7 1 1 A 13 13 ARG CA C 13 55.972 56.890 -0.918 1
1 67 . 7 1 1 A 13 13 ARG CB C 13 31.059 30.776 0.283 1
1 70 . 7 1 1 A 13 13 ARG N N 13 125.368 128.098 -2.730 1
1 71 . 7 1 1 A 14 14 ILE H H 14 8.179 8.436 -0.257 1
1 72 . 7 1 1 A 14 14 ILE HA H 14 4.268 4.512 -0.244 1
1 82 . 7 1 1 A 14 14 ILE C C 14 176.844 176.701 0.143 1
1 83 . 7 1 1 A 14 14 ILE CA C 14 61.647 60.345 1.302 1
1 84 . 7 1 1 A 14 14 ILE CB C 14 39.248 38.944 0.304 1
1 88 . 7 1 1 A 14 14 ILE N N 14 123.951 124.808 -0.857 1
1 89 . 7 1 1 A 15 15 THR H H 15 8.922 8.380 0.542 1
1 90 . 7 1 1 A 15 15 THR HA H 15 4.386 4.743 -0.357 1
1 95 . 7 1 1 A 15 15 THR C C 15 175.263 175.341 -0.078 1
1 96 . 7 1 1 A 15 15 THR CA C 15 61.402 60.306 1.096 1
1 97 . 7 1 1 A 15 15 THR CB C 15 70.796 71.852 -1.056 1
1 99 . 7 1 1 A 15 15 THR N N 15 119.222 117.231 1.991 1
1 100 . 7 1 1 A 16 16 ASP H H 16 8.951 8.823 0.128 1
1 101 . 7 1 1 A 16 16 ASP HA H 16 4.353 4.332 0.021 1
1 104 . 7 1 1 A 16 16 ASP C C 16 178.888 178.095 0.793 1
1 105 . 7 1 1 A 16 16 ASP CA C 16 58.016 56.940 1.076 1
1 106 . 7 1 1 A 16 16 ASP CB C 16 40.154 40.432 -0.278 1
1 107 . 7 1 1 A 16 16 ASP N N 16 120.852 121.396 -0.544 1
1 108 . 7 1 1 A 17 17 ASP H H 17 8.387 8.304 0.083 1
1 109 . 7 1 1 A 17 17 ASP HA H 17 4.361 4.393 -0.032 1
1 112 . 7 1 1 A 17 17 ASP C C 17 178.815 177.999 0.816 1
1 113 . 7 1 1 A 17 17 ASP CA C 17 57.311 56.537 0.774 1
1 114 . 7 1 1 A 17 17 ASP CB C 17 40.649 40.259 0.390 1
1 115 . 7 1 1 A 17 17 ASP N N 17 118.488 118.990 -0.502 1
1 116 . 7 1 1 A 18 18 GLN H H 18 7.561 7.461 0.100 1
1 117 . 7 1 1 A 18 18 GLN HA H 18 3.844 4.251 -0.407 1
1 124 . 7 1 1 A 18 18 GLN C C 18 177.988 178.108 -0.120 1
1 125 . 7 1 1 A 18 18 GLN CA C 18 58.933 57.824 1.109 1
1 126 . 7 1 1 A 18 18 GLN CB C 18 28.702 29.234 -0.532 1
1 128 . 7 1 1 A 18 18 GLN N N 18 119.852 119.185 0.667 1
1 130 . 7 1 1 A 19 19 LEU H H 19 8.538 7.978 0.560 1
1 131 . 7 1 1 A 19 19 LEU HA H 19 3.549 3.701 -0.152 1
1 141 . 7 1 1 A 19 19 LEU C C 19 178.202 178.125 0.077 1
1 142 . 7 1 1 A 19 19 LEU CA C 19 57.593 57.880 -0.287 1
1 143 . 7 1 1 A 19 19 LEU CB C 19 41.720 41.529 0.191 1
1 147 . 7 1 1 A 19 19 LEU N N 19 120.203 122.057 -1.854 1
1 148 . 7 1 1 A 20 20 ARG H H 20 7.644 8.106 -0.462 1
1 149 . 7 1 1 A 20 20 ARG HA H 20 3.893 4.090 -0.197 1
1 155 . 7 1 1 A 20 20 ARG C C 20 179.148 178.338 0.810 1
1 156 . 7 1 1 A 20 20 ARG CA C 20 59.744 58.593 1.151 1
1 157 . 7 1 1 A 20 20 ARG CB C 20 29.855 30.062 -0.207 1
1 160 . 7 1 1 A 20 20 ARG N N 20 117.442 117.777 -0.335 1
1 161 . 7 1 1 A 21 21 VAL H H 21 7.074 7.941 -0.867 1
1 162 . 7 1 1 A 21 21 VAL HA H 21 3.726 3.756 -0.030 1
1 170 . 7 1 1 A 21 21 VAL C C 21 177.643 178.274 -0.631 1
1 171 . 7 1 1 A 21 21 VAL CA C 21 66.098 66.383 -0.285 1
1 172 . 7 1 1 A 21 21 VAL CB C 21 31.750 31.567 0.183 1
1 175 . 7 1 1 A 21 21 VAL N N 21 118.796 120.680 -1.884 1
1 176 . 7 1 1 A 22 22 LEU H H 22 7.620 8.107 -0.487 1
1 177 . 7 1 1 A 22 22 LEU HA H 22 3.947 4.065 -0.118 1
1 187 . 7 1 1 A 22 22 LEU C C 22 178.979 179.032 -0.053 1
1 188 . 7 1 1 A 22 22 LEU CA C 22 58.369 57.469 0.900 1
1 189 . 7 1 1 A 22 22 LEU CB C 22 38.869 40.642 -1.773 1
1 193 . 7 1 1 A 22 22 LEU N N 22 119.184 119.897 -0.713 1
1 194 . 7 1 1 A 23 23 ARG H H 23 8.451 8.076 0.375 1
1 195 . 7 1 1 A 23 23 ARG HA H 23 4.054 4.207 -0.153 1
1 202 . 7 1 1 A 23 23 ARG C C 23 178.177 179.568 -1.391 1
1 203 . 7 1 1 A 23 23 ARG CA C 23 59.157 59.555 -0.398 1
1 204 . 7 1 1 A 23 23 ARG CB C 23 29.772 30.274 -0.502 1
1 207 . 7 1 1 A 23 23 ARG N N 23 116.571 119.767 -3.196 1
1 208 . 7 1 1 A 24 24 GLN H H 24 7.749 8.618 -0.869 1
1 209 . 7 1 1 A 24 24 GLN HA H 24 4.129 4.023 0.106 1
1 216 . 7 1 1 A 24 24 GLN C C 24 179.100 178.531 0.569 1
1 217 . 7 1 1 A 24 24 GLN CA C 24 58.827 59.166 -0.339 1
1 218 . 7 1 1 A 24 24 GLN CB C 24 28.290 28.420 -0.130 1
1 220 . 7 1 1 A 24 24 GLN N N 24 118.256 119.037 -0.781 1
1 222 . 7 1 1 A 25 25 TYR H H 25 7.902 7.941 -0.039 1
1 223 . 7 1 1 A 25 25 TYR HA H 25 4.295 4.354 -0.059 1
1 230 . 7 1 1 A 25 25 TYR C C 25 178.080 178.625 -0.545 1
1 231 . 7 1 1 A 25 25 TYR CA C 25 61.506 60.721 0.785 1
1 232 . 7 1 1 A 25 25 TYR CB C 25 39.001 37.574 1.427 1
1 237 . 7 1 1 A 25 25 TYR N N 25 117.374 120.372 -2.998 1
1 238 . 7 1 1 A 26 26 PHE H H 26 8.935 8.814 0.121 1
1 239 . 7 1 1 A 26 26 PHE HA H 26 4.366 4.503 -0.137 1
1 247 . 7 1 1 A 26 26 PHE C C 26 175.847 176.690 -0.843 1
1 248 . 7 1 1 A 26 26 PHE CA C 26 61.452 61.934 -0.482 1
1 249 . 7 1 1 A 26 26 PHE CB C 26 39.538 39.438 0.100 1
1 255 . 7 1 1 A 27 27 ASP H H 27 8.138 8.078 0.060 1
1 256 . 7 1 1 A 27 27 ASP HA H 27 4.407 4.305 0.102 1
1 259 . 7 1 1 A 27 27 ASP C C 27 177.546 178.860 -1.314 1
1 260 . 7 1 1 A 27 27 ASP CA C 27 56.007 57.274 -1.267 1
1 261 . 7 1 1 A 27 27 ASP CB C 27 40.813 40.837 -0.024 1
1 262 . 7 1 1 A 27 27 ASP N N 27 116.760 119.002 -2.242 1
1 263 . 7 1 1 A 28 28 ILE H H 28 7.463 7.235 0.228 1
1 264 . 7 1 1 A 28 28 ILE HA H 28 3.945 3.761 0.184 1
1 274 . 7 1 1 A 28 28 ILE C C 28 176.260 176.282 -0.022 1
1 275 . 7 1 1 A 28 28 ILE CA C 28 62.881 64.948 -2.067 1
1 276 . 7 1 1 A 28 28 ILE CB C 28 38.836 37.898 0.938 1
1 280 . 7 1 1 A 28 28 ILE N N 28 119.169 117.938 1.231 1
1 281 . 7 1 1 A 29 29 ASN H H 29 8.214 8.136 0.078 1
1 282 . 7 1 1 A 29 29 ASN HA H 29 4.620 5.028 -0.408 1
1 287 . 7 1 1 A 29 29 ASN C C 29 173.633 175.615 -1.982 1
1 288 . 7 1 1 A 29 29 ASN CA C 29 53.081 51.351 1.730 1
1 289 . 7 1 1 A 29 29 ASN CB C 29 39.330 41.487 -2.157 1
1 290 . 7 1 1 A 29 29 ASN N N 29 117.989 115.702 2.287 1
1 292 . 7 1 1 A 30 30 ASN H H 30 8.383 8.564 -0.181 1
1 293 . 7 1 1 A 30 30 ASN HA H 30 4.231 3.963 0.268 1
1 298 . 7 1 1 A 30 30 ASN C C 30 174.338 175.128 -0.790 1
1 299 . 7 1 1 A 30 30 ASN CA C 30 53.610 56.587 -2.977 1
1 300 . 7 1 1 A 30 30 ASN CB C 30 38.836 38.390 0.446 1
1 301 . 7 1 1 A 30 30 ASN N N 30 120.522 122.305 -1.783 1
1 303 . 7 1 1 A 31 31 SER H H 31 7.941 7.941 0.000 1
1 304 . 7 1 1 A 31 31 SER HA H 31 4.795 4.962 -0.167 1
1 307 . 7 1 1 A 31 31 SER C C 31 174.387 172.423 1.964 1
1 308 . 7 1 1 A 31 31 SER CA C 31 54.843 54.838 0.005 1
1 309 . 7 1 1 A 31 31 SER CB C 31 63.553 65.235 -1.682 1
1 310 . 7 1 1 A 31 31 SER N N 31 112.907 112.532 0.375 1
1 311 . 7 1 1 A 32 32 PRO HA H 32 4.437 4.867 -0.430 1
1 318 . 7 1 1 A 32 32 PRO C C 32 176.844 176.213 0.631 1
1 319 . 7 1 1 A 32 32 PRO CA C 32 62.180 62.143 0.037 1
1 320 . 7 1 1 A 32 32 PRO CB C 32 32.380 32.073 0.307 1
1 323 . 7 1 1 A 33 33 SER H H 33 8.658 8.336 0.322 1
1 324 . 7 1 1 A 33 33 SER HA H 33 4.462 4.686 -0.224 1
1 327 . 7 1 1 A 33 33 SER C C 33 175.068 175.877 -0.809 1
1 328 . 7 1 1 A 33 33 SER CA C 33 56.539 56.520 0.019 1
1 329 . 7 1 1 A 33 33 SER CB C 33 65.613 65.753 -0.140 1
1 330 . 7 1 1 A 33 33 SER N N 33 117.201 114.650 2.551 1
1 331 . 7 1 1 A 34 34 GLU H H 34 8.983 8.969 0.014 1
1 332 . 7 1 1 A 34 34 GLU HA H 34 3.885 4.025 -0.140 1
1 337 . 7 1 1 A 34 34 GLU C C 34 179.464 178.453 1.011 1
1 338 . 7 1 1 A 34 34 GLU CA C 34 59.990 59.277 0.713 1
1 339 . 7 1 1 A 34 34 GLU CB C 34 29.031 29.058 -0.027 1
1 341 . 7 1 1 A 34 34 GLU N N 34 120.557 120.940 -0.383 1
1 342 . 7 1 1 A 35 35 GLU H H 35 8.672 7.973 0.699 1
1 343 . 7 1 1 A 35 35 GLU HA H 35 3.989 4.078 -0.089 1
1 348 . 7 1 1 A 35 35 GLU C C 35 179.440 178.771 0.669 1
1 349 . 7 1 1 A 35 35 GLU CA C 35 60.096 59.152 0.944 1
1 350 . 7 1 1 A 35 35 GLU CB C 35 28.949 29.891 -0.942 1
1 352 . 7 1 1 A 35 35 GLU N N 35 119.112 119.481 -0.369 1
1 353 . 7 1 1 A 36 36 GLN H H 36 7.705 8.119 -0.414 1
1 354 . 7 1 1 A 36 36 GLN HA H 36 4.012 4.191 -0.179 1
1 360 . 7 1 1 A 36 36 GLN C C 36 178.372 178.347 0.025 1
1 361 . 7 1 1 A 36 36 GLN CA C 36 58.968 58.372 0.596 1
1 362 . 7 1 1 A 36 36 GLN CB C 36 28.290 28.273 0.017 1
1 364 . 7 1 1 A 36 36 GLN N N 36 120.638 118.622 2.016 1
1 366 . 7 1 1 A 37 37 ILE H H 37 8.308 8.484 -0.176 1
1 367 . 7 1 1 A 37 37 ILE HA H 37 3.474 3.671 -0.197 1
1 377 . 7 1 1 A 37 37 ILE C C 37 177.400 178.548 -1.148 1
1 378 . 7 1 1 A 37 37 ILE CA C 37 65.173 64.890 0.283 1
1 379 . 7 1 1 A 37 37 ILE CB C 37 36.447 37.548 -1.101 1
1 383 . 7 1 1 A 37 37 ILE N N 37 121.515 120.660 0.855 1
1 384 . 7 1 1 A 38 38 LYS H H 38 7.808 7.869 -0.061 1
1 385 . 7 1 1 A 38 38 LYS HA H 38 3.803 4.007 -0.204 1
1 393 . 7 1 1 A 38 38 LYS C C 38 178.153 178.874 -0.721 1
1 394 . 7 1 1 A 38 38 LYS CA C 38 60.096 59.219 0.877 1
1 395 . 7 1 1 A 38 38 LYS CB C 38 31.833 32.433 -0.600 1
1 399 . 7 1 1 A 38 38 LYS N N 38 120.672 122.427 -1.755 1
1 400 . 7 1 1 A 39 39 GLU H H 39 7.719 8.156 -0.437 1
1 401 . 7 1 1 A 39 39 GLU HA H 39 4.089 4.076 0.013 1
1 406 . 7 1 1 A 39 39 GLU C C 39 179.278 178.293 0.985 1
1 407 . 7 1 1 A 39 39 GLU CA C 39 59.522 59.173 0.349 1
1 408 . 7 1 1 A 39 39 GLU CB C 39 29.773 29.024 0.749 1
1 410 . 7 1 1 A 39 39 GLU N N 39 119.510 117.560 1.950 1
1 411 . 7 1 1 A 40 40 MET H H 40 8.167 8.207 -0.040 1
1 412 . 7 1 1 A 40 40 MET HA H 40 3.599 4.178 -0.579 1
1 420 . 7 1 1 A 40 40 MET C C 40 179.813 178.328 1.485 1
1 421 . 7 1 1 A 40 40 MET CA C 40 59.533 58.619 0.914 1
1 422 . 7 1 1 A 40 40 MET CB C 40 35.410 32.993 2.417 1
1 425 . 7 1 1 A 40 40 MET N N 40 117.312 118.937 -1.625 1
1 426 . 7 1 1 A 41 41 ALA H H 41 8.689 7.927 0.762 1
1 427 . 7 1 1 A 41 41 ALA HA H 41 4.102 4.350 -0.248 1
1 431 . 7 1 1 A 41 41 ALA C C 41 179.610 178.977 0.633 1
1 432 . 7 1 1 A 41 41 ALA CA C 41 55.866 54.885 0.981 1
1 433 . 7 1 1 A 41 41 ALA CB C 41 18.609 18.510 0.099 1
1 434 . 7 1 1 A 41 41 ALA N N 41 128.620 121.516 7.104 1
1 435 . 7 1 1 A 42 42 ASP H H 42 8.324 7.223 1.101 1
1 436 . 7 1 1 A 42 42 ASP HA H 42 4.306 4.561 -0.255 1
1 439 . 7 1 1 A 42 42 ASP C C 42 179.003 178.508 0.495 1
1 440 . 7 1 1 A 42 42 ASP CA C 42 57.241 56.514 0.727 1
1 441 . 7 1 1 A 42 42 ASP CB C 42 40.319 41.439 -1.120 1
1 442 . 7 1 1 A 42 42 ASP N N 42 120.159 118.205 1.954 1
1 443 . 7 1 1 A 43 43 LYS H H 43 8.036 7.671 0.365 1
1 444 . 7 1 1 A 43 43 LYS HA H 43 4.155 4.011 0.144 1
1 452 . 7 1 1 A 43 43 LYS C C 43 178.105 178.802 -0.697 1
1 453 . 7 1 1 A 43 43 LYS CA C 43 58.580 59.102 -0.522 1
1 454 . 7 1 1 A 43 43 LYS CB C 43 33.893 32.233 1.660 1
1 458 . 7 1 1 A 43 43 LYS N N 43 116.586 118.764 -2.178 1
1 459 . 7 1 1 A 44 44 SER H H 44 8.314 8.302 0.012 1
1 460 . 7 1 1 A 44 44 SER HA H 44 4.486 4.543 -0.057 1
1 463 . 7 1 1 A 44 44 SER C C 44 175.458 175.411 0.047 1
1 464 . 7 1 1 A 44 44 SER CA C 44 59.955 58.805 1.150 1
1 465 . 7 1 1 A 44 44 SER CB C 44 66.025 64.824 1.201 1
1 466 . 7 1 1 A 44 44 SER N N 44 111.140 110.864 0.276 1
1 467 . 7 1 1 A 45 45 GLY H H 45 8.249 7.861 0.388 1
1 468 . 7 1 1 A 45 45 GLY HA2 H 45 3.872 4.016 -0.144 1
1 469 . 7 1 1 A 45 45 GLY HA3 H 45 4.233 4.017 0.216 1
1 470 . 7 1 1 A 45 45 GLY C C 45 174.317 174.045 0.272 1
1 471 . 7 1 1 A 45 45 GLY CA C 45 45.889 44.829 1.060 1
1 472 . 7 1 1 A 45 45 GLY N N 45 112.770 110.714 2.056 1
1 473 . 7 1 1 A 46 46 LEU H H 46 7.800 7.668 0.132 1
1 474 . 7 1 1 A 46 46 LEU HA H 46 4.685 4.548 0.137 1
1 484 . 7 1 1 A 46 46 LEU C C 46 174.366 174.660 -0.294 1
1 485 . 7 1 1 A 46 46 LEU CA C 46 52.235 52.284 -0.049 1
1 486 . 7 1 1 A 46 46 LEU CB C 46 43.285 41.751 1.534 1
1 490 . 7 1 1 A 46 46 LEU N N 46 121.722 122.129 -0.407 1
1 491 . 7 1 1 A 47 47 PRO HA H 47 4.542 4.557 -0.015 1
1 497 . 7 1 1 A 47 47 PRO C C 47 178.542 176.576 1.966 1
1 498 . 7 1 1 A 47 47 PRO CA C 47 62.000 62.374 -0.374 1
1 499 . 7 1 1 A 47 47 PRO CB C 47 32.731 33.445 -0.714 1
1 502 . 7 1 1 A 48 48 GLN H H 48 9.124 8.646 0.478 1
1 503 . 7 1 1 A 48 48 GLN HA H 48 3.629 4.077 -0.448 1
1 510 . 7 1 1 A 48 48 GLN C C 48 178.080 177.603 0.477 1
1 511 . 7 1 1 A 48 48 GLN CA C 48 60.872 58.065 2.807 1
1 512 . 7 1 1 A 48 48 GLN CB C 48 28.455 28.511 -0.056 1
1 514 . 7 1 1 A 48 48 GLN N N 48 123.862 120.524 3.338 1
1 516 . 7 1 1 A 49 49 LYS H H 49 8.912 8.006 0.906 1
1 517 . 7 1 1 A 49 49 LYS HA H 49 3.969 4.055 -0.086 1
1 524 . 7 1 1 A 49 49 LYS C C 49 178.954 178.683 0.271 1
1 525 . 7 1 1 A 49 49 LYS CA C 49 59.955 59.162 0.793 1
1 526 . 7 1 1 A 49 49 LYS CB C 49 32.327 31.985 0.342 1
1 530 . 7 1 1 A 49 49 LYS N N 49 116.406 118.401 -1.995 1
1 531 . 7 1 1 A 50 50 VAL H H 50 6.874 7.910 -1.036 1
1 532 . 7 1 1 A 50 50 VAL HA H 50 3.835 3.654 0.181 1
1 540 . 7 1 1 A 50 50 VAL C C 50 178.299 178.385 -0.086 1
1 541 . 7 1 1 A 50 50 VAL CA C 50 65.560 66.058 -0.498 1
1 542 . 7 1 1 A 50 50 VAL CB C 50 32.080 31.642 0.438 1
1 545 . 7 1 1 A 50 50 VAL N N 50 119.065 119.984 -0.919 1
1 546 . 7 1 1 A 51 51 ILE H H 51 7.503 7.932 -0.429 1
1 547 . 7 1 1 A 51 51 ILE HA H 51 3.672 3.746 -0.074 1
1 557 . 7 1 1 A 51 51 ILE C C 51 178.007 178.182 -0.175 1
1 558 . 7 1 1 A 51 51 ILE CA C 51 66.019 65.548 0.471 1
1 559 . 7 1 1 A 51 51 ILE CB C 51 38.081 37.751 0.330 1
1 563 . 7 1 1 A 51 51 ILE N N 51 121.254 121.045 0.209 1
1 564 . 7 1 1 A 52 52 LYS H H 52 8.596 7.880 0.716 1
1 565 . 7 1 1 A 52 52 LYS HA H 52 3.984 4.104 -0.120 1
1 572 . 7 1 1 A 52 52 LYS C C 52 179.302 179.817 -0.515 1
1 573 . 7 1 1 A 52 52 LYS CA C 52 60.978 59.620 1.358 1
1 574 . 7 1 1 A 52 52 LYS CB C 52 32.574 32.515 0.059 1
1 578 . 7 1 1 A 52 52 LYS N N 52 118.531 119.892 -1.361 1
1 579 . 7 1 1 A 53 53 HIS H H 53 7.952 8.135 -0.183 1
1 580 . 7 1 1 A 53 53 HIS HA H 53 4.324 4.293 0.031 1
1 585 . 7 1 1 A 53 53 HIS C C 53 177.085 178.139 -1.054 1
1 586 . 7 1 1 A 53 53 HIS CA C 53 60.026 59.087 0.939 1
1 587 . 7 1 1 A 53 53 HIS CB C 53 30.867 30.456 0.411 1
1 590 . 7 1 1 A 53 53 HIS N N 53 118.728 118.268 0.460 1
1 591 . 7 1 1 A 54 54 TRP H H 54 8.614 8.227 0.387 1
1 592 . 7 1 1 A 54 54 TRP HA H 54 4.048 4.322 -0.274 1
1 601 . 7 1 1 A 54 54 TRP C C 54 180.144 178.374 1.770 1
1 602 . 7 1 1 A 54 54 TRP CA C 54 62.916 61.111 1.805 1
1 603 . 7 1 1 A 54 54 TRP CB C 54 28.766 29.418 -0.652 1
1 609 . 7 1 1 A 54 54 TRP N N 54 121.845 121.578 0.267 1
1 611 . 7 1 1 A 55 55 PHE H H 55 9.035 8.615 0.420 1
1 612 . 7 1 1 A 55 55 PHE HA H 55 3.786 4.193 -0.407 1
1 620 . 7 1 1 A 55 55 PHE C C 55 178.129 178.252 -0.123 1
1 621 . 7 1 1 A 55 55 PHE CA C 55 63.617 62.066 1.551 1
1 622 . 7 1 1 A 55 55 PHE CB C 55 39.260 38.865 0.395 1
1 628 . 7 1 1 A 55 55 PHE N N 55 120.180 118.036 2.144 1
1 629 . 7 1 1 A 56 56 ARG H H 56 7.962 8.600 -0.638 1
1 630 . 7 1 1 A 56 56 ARG HA H 56 4.095 4.028 0.067 1
1 636 . 7 1 1 A 56 56 ARG C C 56 178.444 178.115 0.329 1
1 637 . 7 1 1 A 56 56 ARG CA C 56 59.356 59.696 -0.340 1
1 638 . 7 1 1 A 56 56 ARG CB C 56 30.087 29.750 0.337 1
1 641 . 7 1 1 A 56 56 ARG N N 56 118.370 120.747 -2.377 1
1 642 . 7 1 1 A 57 57 ASN H H 57 8.194 8.497 -0.303 1
1 643 . 7 1 1 A 57 57 ASN HA H 57 4.401 4.375 0.026 1
1 648 . 7 1 1 A 57 57 ASN C C 57 176.866 177.939 -1.073 1
1 649 . 7 1 1 A 57 57 ASN CA C 57 55.497 56.380 -0.883 1
1 650 . 7 1 1 A 57 57 ASN CB C 57 38.640 38.643 -0.003 1
1 651 . 7 1 1 A 57 57 ASN N N 57 117.190 117.750 -0.560 1
1 653 . 7 1 1 A 58 58 THR H H 58 7.999 7.336 0.663 1
1 654 . 7 1 1 A 58 58 THR HA H 58 3.426 3.744 -0.318 1
1 659 . 7 1 1 A 58 58 THR C C 58 175.361 175.700 -0.339 1
1 660 . 7 1 1 A 58 58 THR CA C 58 65.801 66.374 -0.573 1
1 661 . 7 1 1 A 58 58 THR CB C 58 68.064 68.159 -0.095 1
1 663 . 7 1 1 A 58 58 THR N N 58 117.859 115.467 2.392 1
1 664 . 7 1 1 A 59 59 LEU H H 59 7.950 8.542 -0.592 1
1 665 . 7 1 1 A 59 59 LEU HA H 59 4.127 4.218 -0.091 1
1 674 . 7 1 1 A 59 59 LEU C C 59 177.886 178.876 -0.990 1
1 675 . 7 1 1 A 59 59 LEU CA C 59 57.628 58.741 -1.113 1
1 676 . 7 1 1 A 59 59 LEU CB C 59 42.296 42.044 0.252 1
1 680 . 7 1 1 A 59 59 LEU N N 59 122.280 121.390 0.890 1
1 681 . 7 1 1 A 60 60 PHE H H 60 7.797 8.616 -0.819 1
1 682 . 7 1 1 A 60 60 PHE HA H 60 4.309 4.019 0.290 1
1 690 . 7 1 1 A 60 60 PHE C C 60 177.085 177.525 -0.440 1
1 691 . 7 1 1 A 60 60 PHE CA C 60 59.920 61.983 -2.063 1
1 692 . 7 1 1 A 60 60 PHE CB C 60 38.918 39.145 -0.227 1
1 698 . 7 1 1 A 60 60 PHE N N 60 118.008 119.763 -1.755 1
1 699 . 7 1 1 A 61 61 LYS H H 61 7.839 7.824 0.015 1
1 700 . 7 1 1 A 61 61 LYS HA H 61 4.007 3.969 0.038 1
1 707 . 7 1 1 A 61 61 LYS C C 61 178.032 178.843 -0.811 1
1 708 . 7 1 1 A 61 61 LYS CA C 61 58.016 60.150 -2.134 1
1 709 . 7 1 1 A 61 61 LYS CB C 61 32.657 32.183 0.474 1
1 713 . 7 1 1 A 61 61 LYS N N 61 119.447 118.047 1.400 1
1 714 . 7 1 1 A 62 62 GLU H H 62 8.139 8.623 -0.484 1
1 715 . 7 1 1 A 62 62 GLU HA H 62 4.146 4.129 0.017 1
1 720 . 7 1 1 A 62 62 GLU C C 62 177.595 179.323 -1.728 1
1 721 . 7 1 1 A 62 62 GLU CA C 62 57.699 58.999 -1.300 1
1 722 . 7 1 1 A 62 62 GLU CB C 62 29.608 29.415 0.193 1
1 724 . 7 1 1 A 62 62 GLU N N 62 119.302 119.137 0.165 1
1 725 . 7 1 1 A 63 63 ARG H H 63 8.015 8.047 -0.032 1
1 726 . 7 1 1 A 63 63 ARG HA H 63 4.258 4.091 0.167 1
1 732 . 7 1 1 A 63 63 ARG C C 63 176.769 177.642 -0.873 1
1 733 . 7 1 1 A 63 63 ARG CA C 63 56.677 59.057 -2.380 1
1 734 . 7 1 1 A 63 63 ARG CB C 63 30.514 29.730 0.784 1
1 737 . 7 1 1 A 63 63 ARG N N 63 119.598 120.351 -0.753 1
1 738 . 7 1 1 A 64 64 GLN H H 64 8.058 7.912 0.146 1
1 739 . 7 1 1 A 64 64 GLN HA H 64 4.242 4.352 -0.110 1
1 745 . 7 1 1 A 64 64 GLN C C 64 176.114 174.881 1.233 1
1 746 . 7 1 1 A 64 64 GLN CA C 64 56.148 55.500 0.648 1
1 747 . 7 1 1 A 64 64 GLN CB C 64 29.258 28.189 1.069 1
1 749 . 7 1 1 A 64 64 GLN N N 64 120.027 115.118 4.909 1
1 751 . 7 1 1 A 65 65 SER H H 65 8.172 7.858 0.314 1
1 752 . 7 1 1 A 65 65 SER HA H 65 4.457 4.844 -0.387 1
1 755 . 7 1 1 A 65 65 SER C C 65 174.487 173.686 0.801 1
1 756 . 7 1 1 A 65 65 SER CA C 65 58.404 56.799 1.605 1
1 757 . 7 1 1 A 65 65 SER CB C 65 63.965 64.265 -0.300 1
1 758 . 7 1 1 A 65 65 SER N N 65 116.070 115.783 0.287 1
1 759 . 7 1 1 A 66 66 GLY H H 66 8.170 8.302 -0.132 1
1 760 . 7 1 1 A 66 66 GLY HA2 H 66 4.141 4.134 0.007 1
1 761 . 7 1 1 A 66 66 GLY HA3 H 66 4.082 4.136 -0.054 1
1 762 . 7 1 1 A 66 66 GLY C C 66 171.768 174.183 -2.415 1
1 763 . 7 1 1 A 66 66 GLY CA C 66 44.620 46.003 -1.383 1
1 764 . 7 1 1 A 66 66 GLY N N 66 110.579 113.453 -2.874 1
1 765 . 7 1 1 A 67 67 PRO HA H 67 4.453 4.332 0.121 1
1 770 . 7 1 1 A 67 67 PRO C C 67 177.400 177.348 0.052 1
1 771 . 7 1 1 A 67 67 PRO CA C 67 63.198 63.729 -0.531 1
1 772 . 7 1 1 A 67 67 PRO CB C 67 32.171 31.832 0.339 1
1 775 . 7 1 1 A 68 68 SER H H 68 8.525 8.907 -0.382 1
1 776 . 7 1 1 A 68 68 SER HA H 68 4.490 4.085 0.405 1
1 779 . 7 1 1 A 68 68 SER C C 68 174.657 174.177 0.480 1
1 780 . 7 1 1 A 68 68 SER CA C 68 58.589 59.389 -0.800 1
1 781 . 7 1 1 A 68 68 SER CB C 68 63.800 62.087 1.713 1
1 782 . 7 1 1 A 68 68 SER N N 68 116.415 118.702 -2.287 1
1 783 . 7 1 1 A 69 69 SER H H 69 8.316 7.874 0.442 1
1 784 . 7 1 1 A 69 69 SER HA H 69 4.467 4.395 0.072 1
1 787 . 7 1 1 A 69 69 SER C C 69 173.953 174.912 -0.959 1
1 788 . 7 1 1 A 69 69 SER CA C 69 58.369 58.517 -0.148 1
1 789 . 7 1 1 A 69 69 SER CB C 69 64.047 64.033 0.014 1
1 790 . 7 1 1 A 69 69 SER N N 69 117.832 114.431 3.401 1
1 1 . 8 1 1 A 7 7 GLY H H 7 8.499 8.317 0.182 1
1 2 . 8 1 1 A 7 7 GLY HA2 H 7 3.948 4.206 -0.258 1
1 3 . 8 1 1 A 7 7 GLY HA3 H 7 3.948 4.206 -0.258 1
1 4 . 8 1 1 A 7 7 GLY C C 7 173.949 171.930 2.019 1
1 5 . 8 1 1 A 7 7 GLY CA C 7 45.325 45.963 -0.638 1
1 6 . 8 1 1 A 8 8 LYS H H 8 8.116 8.427 -0.311 1
1 7 . 8 1 1 A 8 8 LYS HA H 8 4.308 4.521 -0.213 1
1 14 . 8 1 1 A 8 8 LYS C C 8 176.504 174.967 1.537 1
1 15 . 8 1 1 A 8 8 LYS CA C 8 56.113 55.561 0.552 1
1 16 . 8 1 1 A 8 8 LYS CB C 8 33.151 30.919 2.232 1
1 20 . 8 1 1 A 8 8 LYS N N 8 120.734 120.393 0.341 1
1 21 . 8 1 1 A 9 9 ARG H H 9 8.362 7.354 1.008 1
1 22 . 8 1 1 A 9 9 ARG HA H 9 4.590 4.712 -0.122 1
1 27 . 8 1 1 A 9 9 ARG C C 9 176.479 176.033 0.446 1
1 28 . 8 1 1 A 9 9 ARG CA C 9 53.962 52.955 1.007 1
1 29 . 8 1 1 A 9 9 ARG CB C 9 30.103 31.132 -1.029 1
1 32 . 8 1 1 A 9 9 ARG N N 9 123.609 119.788 3.821 1
1 33 . 8 1 1 A 10 10 PRO HA H 10 4.419 4.465 -0.046 1
1 39 . 8 1 1 A 10 10 PRO C C 10 176.796 176.361 0.435 1
1 40 . 8 1 1 A 10 10 PRO CA C 10 62.987 64.010 -1.023 1
1 41 . 8 1 1 A 10 10 PRO CB C 10 32.080 31.413 0.667 1
1 44 . 8 1 1 A 11 11 ARG H H 11 8.517 8.231 0.286 1
1 45 . 8 1 1 A 11 11 ARG C C 11 176.551 174.728 1.823 1
1 46 . 8 1 1 A 11 11 ARG CA C 11 56.077 54.813 1.264 1
1 47 . 8 1 1 A 11 11 ARG CB C 11 30.762 32.195 -1.433 1
1 48 . 8 1 1 A 11 11 ARG N N 11 121.931 120.486 1.445 1
1 49 . 8 1 1 A 12 12 THR HA H 12 4.260 5.025 -0.765 1
1 54 . 8 1 1 A 12 12 THR C C 12 173.904 172.716 1.188 1
1 55 . 8 1 1 A 12 12 THR CA C 12 62.218 60.732 1.486 1
1 56 . 8 1 1 A 12 12 THR CB C 12 69.843 72.662 -2.819 1
1 58 . 8 1 1 A 13 13 ARG H H 13 8.434 8.796 -0.362 1
1 59 . 8 1 1 A 13 13 ARG HA H 13 4.381 5.065 -0.684 1
1 65 . 8 1 1 A 13 13 ARG C C 13 175.336 175.677 -0.341 1
1 66 . 8 1 1 A 13 13 ARG CA C 13 55.972 54.320 1.652 1
1 67 . 8 1 1 A 13 13 ARG CB C 13 31.059 33.584 -2.525 1
1 70 . 8 1 1 A 13 13 ARG N N 13 125.368 125.747 -0.379 1
1 71 . 8 1 1 A 14 14 ILE H H 14 8.179 8.612 -0.433 1
1 72 . 8 1 1 A 14 14 ILE HA H 14 4.268 4.261 0.007 1
1 82 . 8 1 1 A 14 14 ILE C C 14 176.844 175.333 1.511 1
1 83 . 8 1 1 A 14 14 ILE CA C 14 61.647 61.642 0.005 1
1 84 . 8 1 1 A 14 14 ILE CB C 14 39.248 37.913 1.335 1
1 88 . 8 1 1 A 14 14 ILE N N 14 123.951 126.648 -2.697 1
1 89 . 8 1 1 A 15 15 THR H H 15 8.922 8.162 0.760 1
1 90 . 8 1 1 A 15 15 THR HA H 15 4.386 4.773 -0.387 1
1 95 . 8 1 1 A 15 15 THR C C 15 175.263 174.421 0.842 1
1 96 . 8 1 1 A 15 15 THR CA C 15 61.402 59.541 1.861 1
1 97 . 8 1 1 A 15 15 THR CB C 15 70.796 71.472 -0.676 1
1 99 . 8 1 1 A 15 15 THR N N 15 119.222 117.827 1.395 1
1 100 . 8 1 1 A 16 16 ASP H H 16 8.951 9.019 -0.068 1
1 101 . 8 1 1 A 16 16 ASP HA H 16 4.353 4.298 0.055 1
1 104 . 8 1 1 A 16 16 ASP C C 16 178.888 178.119 0.769 1
1 105 . 8 1 1 A 16 16 ASP CA C 16 58.016 57.289 0.727 1
1 106 . 8 1 1 A 16 16 ASP CB C 16 40.154 40.248 -0.094 1
1 107 . 8 1 1 A 16 16 ASP N N 16 120.852 126.124 -5.272 1
1 108 . 8 1 1 A 17 17 ASP H H 17 8.387 8.185 0.202 1
1 109 . 8 1 1 A 17 17 ASP HA H 17 4.361 4.378 -0.017 1
1 112 . 8 1 1 A 17 17 ASP C C 17 178.815 178.273 0.542 1
1 113 . 8 1 1 A 17 17 ASP CA C 17 57.311 56.328 0.983 1
1 114 . 8 1 1 A 17 17 ASP CB C 17 40.649 40.527 0.122 1
1 115 . 8 1 1 A 17 17 ASP N N 17 118.488 119.801 -1.313 1
1 116 . 8 1 1 A 18 18 GLN H H 18 7.561 7.575 -0.014 1
1 117 . 8 1 1 A 18 18 GLN HA H 18 3.844 4.208 -0.364 1
1 124 . 8 1 1 A 18 18 GLN C C 18 177.988 178.159 -0.171 1
1 125 . 8 1 1 A 18 18 GLN CA C 18 58.933 58.141 0.792 1
1 126 . 8 1 1 A 18 18 GLN CB C 18 28.702 28.986 -0.284 1
1 128 . 8 1 1 A 18 18 GLN N N 18 119.852 120.258 -0.406 1
1 130 . 8 1 1 A 19 19 LEU H H 19 8.538 8.270 0.268 1
1 131 . 8 1 1 A 19 19 LEU HA H 19 3.549 3.700 -0.151 1
1 141 . 8 1 1 A 19 19 LEU C C 19 178.202 178.044 0.158 1
1 142 . 8 1 1 A 19 19 LEU CA C 19 57.593 57.896 -0.303 1
1 143 . 8 1 1 A 19 19 LEU CB C 19 41.720 41.685 0.035 1
1 147 . 8 1 1 A 19 19 LEU N N 19 120.203 122.114 -1.911 1
1 148 . 8 1 1 A 20 20 ARG H H 20 7.644 7.941 -0.297 1
1 149 . 8 1 1 A 20 20 ARG HA H 20 3.893 4.106 -0.213 1
1 155 . 8 1 1 A 20 20 ARG C C 20 179.148 178.302 0.846 1
1 156 . 8 1 1 A 20 20 ARG CA C 20 59.744 58.773 0.971 1
1 157 . 8 1 1 A 20 20 ARG CB C 20 29.855 30.034 -0.179 1
1 160 . 8 1 1 A 20 20 ARG N N 20 117.442 117.530 -0.088 1
1 161 . 8 1 1 A 21 21 VAL H H 21 7.074 7.797 -0.723 1
1 162 . 8 1 1 A 21 21 VAL HA H 21 3.726 3.718 0.008 1
1 170 . 8 1 1 A 21 21 VAL C C 21 177.643 178.278 -0.635 1
1 171 . 8 1 1 A 21 21 VAL CA C 21 66.098 66.216 -0.118 1
1 172 . 8 1 1 A 21 21 VAL CB C 21 31.750 31.691 0.059 1
1 175 . 8 1 1 A 21 21 VAL N N 21 118.796 120.689 -1.893 1
1 176 . 8 1 1 A 22 22 LEU H H 22 7.620 8.003 -0.383 1
1 177 . 8 1 1 A 22 22 LEU HA H 22 3.947 4.005 -0.058 1
1 187 . 8 1 1 A 22 22 LEU C C 22 178.979 178.755 0.224 1
1 188 . 8 1 1 A 22 22 LEU CA C 22 58.369 57.460 0.909 1
1 189 . 8 1 1 A 22 22 LEU CB C 22 38.869 40.457 -1.588 1
1 193 . 8 1 1 A 22 22 LEU N N 22 119.184 119.826 -0.642 1
1 194 . 8 1 1 A 23 23 ARG H H 23 8.451 8.320 0.131 1
1 195 . 8 1 1 A 23 23 ARG HA H 23 4.054 4.207 -0.153 1
1 202 . 8 1 1 A 23 23 ARG C C 23 178.177 179.538 -1.361 1
1 203 . 8 1 1 A 23 23 ARG CA C 23 59.157 59.662 -0.505 1
1 204 . 8 1 1 A 23 23 ARG CB C 23 29.772 30.045 -0.273 1
1 207 . 8 1 1 A 23 23 ARG N N 23 116.571 119.693 -3.122 1
1 208 . 8 1 1 A 24 24 GLN H H 24 7.749 8.374 -0.625 1
1 209 . 8 1 1 A 24 24 GLN HA H 24 4.129 4.027 0.102 1
1 216 . 8 1 1 A 24 24 GLN C C 24 179.100 178.553 0.547 1
1 217 . 8 1 1 A 24 24 GLN CA C 24 58.827 59.081 -0.254 1
1 218 . 8 1 1 A 24 24 GLN CB C 24 28.290 28.233 0.057 1
1 220 . 8 1 1 A 24 24 GLN N N 24 118.256 118.907 -0.651 1
1 222 . 8 1 1 A 25 25 TYR H H 25 7.902 8.264 -0.362 1
1 223 . 8 1 1 A 25 25 TYR HA H 25 4.295 4.348 -0.053 1
1 230 . 8 1 1 A 25 25 TYR C C 25 178.080 178.549 -0.469 1
1 231 . 8 1 1 A 25 25 TYR CA C 25 61.506 60.655 0.851 1
1 232 . 8 1 1 A 25 25 TYR CB C 25 39.001 38.051 0.950 1
1 237 . 8 1 1 A 25 25 TYR N N 25 117.374 120.469 -3.095 1
1 238 . 8 1 1 A 26 26 PHE H H 26 8.935 8.485 0.450 1
1 239 . 8 1 1 A 26 26 PHE HA H 26 4.366 4.515 -0.149 1
1 247 . 8 1 1 A 26 26 PHE C C 26 175.847 176.726 -0.879 1
1 248 . 8 1 1 A 26 26 PHE CA C 26 61.452 61.974 -0.522 1
1 249 . 8 1 1 A 26 26 PHE CB C 26 39.538 39.398 0.140 1
1 255 . 8 1 1 A 27 27 ASP H H 27 8.138 8.185 -0.047 1
1 256 . 8 1 1 A 27 27 ASP HA H 27 4.407 4.380 0.027 1
1 259 . 8 1 1 A 27 27 ASP C C 27 177.546 178.520 -0.974 1
1 260 . 8 1 1 A 27 27 ASP CA C 27 56.007 57.541 -1.534 1
1 261 . 8 1 1 A 27 27 ASP CB C 27 40.813 41.574 -0.761 1
1 262 . 8 1 1 A 27 27 ASP N N 27 116.760 118.701 -1.941 1
1 263 . 8 1 1 A 28 28 ILE H H 28 7.463 7.248 0.215 1
1 264 . 8 1 1 A 28 28 ILE HA H 28 3.945 3.763 0.182 1
1 274 . 8 1 1 A 28 28 ILE C C 28 176.260 176.318 -0.058 1
1 275 . 8 1 1 A 28 28 ILE CA C 28 62.881 65.035 -2.154 1
1 276 . 8 1 1 A 28 28 ILE CB C 28 38.836 37.971 0.865 1
1 280 . 8 1 1 A 28 28 ILE N N 28 119.169 118.971 0.198 1
1 281 . 8 1 1 A 29 29 ASN H H 29 8.214 8.310 -0.096 1
1 282 . 8 1 1 A 29 29 ASN HA H 29 4.620 4.967 -0.347 1
1 287 . 8 1 1 A 29 29 ASN C C 29 173.633 175.466 -1.833 1
1 288 . 8 1 1 A 29 29 ASN CA C 29 53.081 51.462 1.619 1
1 289 . 8 1 1 A 29 29 ASN CB C 29 39.330 41.074 -1.744 1
1 290 . 8 1 1 A 29 29 ASN N N 29 117.989 116.097 1.892 1
1 292 . 8 1 1 A 30 30 ASN H H 30 8.383 8.617 -0.234 1
1 293 . 8 1 1 A 30 30 ASN HA H 30 4.231 3.906 0.325 1
1 298 . 8 1 1 A 30 30 ASN C C 30 174.338 175.189 -0.851 1
1 299 . 8 1 1 A 30 30 ASN CA C 30 53.610 56.383 -2.773 1
1 300 . 8 1 1 A 30 30 ASN CB C 30 38.836 38.440 0.396 1
1 301 . 8 1 1 A 30 30 ASN N N 30 120.522 122.806 -2.284 1
1 303 . 8 1 1 A 31 31 SER H H 31 7.941 7.839 0.102 1
1 304 . 8 1 1 A 31 31 SER HA H 31 4.795 4.660 0.135 1
1 307 . 8 1 1 A 31 31 SER C C 31 174.387 172.250 2.137 1
1 308 . 8 1 1 A 31 31 SER CA C 31 54.843 54.688 0.155 1
1 309 . 8 1 1 A 31 31 SER CB C 31 63.553 65.328 -1.775 1
1 310 . 8 1 1 A 31 31 SER N N 31 112.907 112.485 0.422 1
1 311 . 8 1 1 A 32 32 PRO HA H 32 4.437 4.740 -0.303 1
1 318 . 8 1 1 A 32 32 PRO C C 32 176.844 175.540 1.304 1
1 319 . 8 1 1 A 32 32 PRO CA C 32 62.180 62.093 0.087 1
1 320 . 8 1 1 A 32 32 PRO CB C 32 32.380 32.115 0.265 1
1 323 . 8 1 1 A 33 33 SER H H 33 8.658 8.684 -0.026 1
1 324 . 8 1 1 A 33 33 SER HA H 33 4.462 4.734 -0.272 1
1 327 . 8 1 1 A 33 33 SER C C 33 175.068 175.404 -0.336 1
1 328 . 8 1 1 A 33 33 SER CA C 33 56.539 56.698 -0.159 1
1 329 . 8 1 1 A 33 33 SER CB C 33 65.613 65.122 0.491 1
1 330 . 8 1 1 A 33 33 SER N N 33 117.201 116.849 0.352 1
1 331 . 8 1 1 A 34 34 GLU H H 34 8.983 8.928 0.055 1
1 332 . 8 1 1 A 34 34 GLU HA H 34 3.885 3.936 -0.051 1
1 337 . 8 1 1 A 34 34 GLU C C 34 179.464 178.395 1.069 1
1 338 . 8 1 1 A 34 34 GLU CA C 34 59.990 59.413 0.577 1
1 339 . 8 1 1 A 34 34 GLU CB C 34 29.031 29.224 -0.193 1
1 341 . 8 1 1 A 34 34 GLU N N 34 120.557 126.500 -5.943 1
1 342 . 8 1 1 A 35 35 GLU H H 35 8.672 7.649 1.023 1
1 343 . 8 1 1 A 35 35 GLU HA H 35 3.989 4.085 -0.096 1
1 348 . 8 1 1 A 35 35 GLU C C 35 179.440 178.864 0.576 1
1 349 . 8 1 1 A 35 35 GLU CA C 35 60.096 59.149 0.947 1
1 350 . 8 1 1 A 35 35 GLU CB C 35 28.949 29.890 -0.941 1
1 352 . 8 1 1 A 35 35 GLU N N 35 119.112 120.200 -1.088 1
1 353 . 8 1 1 A 36 36 GLN H H 36 7.705 8.111 -0.406 1
1 354 . 8 1 1 A 36 36 GLN HA H 36 4.012 4.303 -0.291 1
1 360 . 8 1 1 A 36 36 GLN C C 36 178.372 178.316 0.056 1
1 361 . 8 1 1 A 36 36 GLN CA C 36 58.968 58.355 0.613 1
1 362 . 8 1 1 A 36 36 GLN CB C 36 28.290 28.213 0.077 1
1 364 . 8 1 1 A 36 36 GLN N N 36 120.638 118.617 2.021 1
1 366 . 8 1 1 A 37 37 ILE H H 37 8.308 8.513 -0.205 1
1 367 . 8 1 1 A 37 37 ILE HA H 37 3.474 3.692 -0.218 1
1 377 . 8 1 1 A 37 37 ILE C C 37 177.400 178.650 -1.250 1
1 378 . 8 1 1 A 37 37 ILE CA C 37 65.173 64.861 0.312 1
1 379 . 8 1 1 A 37 37 ILE CB C 37 36.447 37.717 -1.270 1
1 383 . 8 1 1 A 37 37 ILE N N 37 121.515 120.771 0.744 1
1 384 . 8 1 1 A 38 38 LYS H H 38 7.808 7.854 -0.046 1
1 385 . 8 1 1 A 38 38 LYS HA H 38 3.803 4.028 -0.225 1
1 393 . 8 1 1 A 38 38 LYS C C 38 178.153 178.777 -0.624 1
1 394 . 8 1 1 A 38 38 LYS CA C 38 60.096 59.085 1.011 1
1 395 . 8 1 1 A 38 38 LYS CB C 38 31.833 32.570 -0.737 1
1 399 . 8 1 1 A 38 38 LYS N N 38 120.672 122.421 -1.749 1
1 400 . 8 1 1 A 39 39 GLU H H 39 7.719 8.142 -0.423 1
1 401 . 8 1 1 A 39 39 GLU HA H 39 4.089 4.083 0.006 1
1 406 . 8 1 1 A 39 39 GLU C C 39 179.278 178.752 0.526 1
1 407 . 8 1 1 A 39 39 GLU CA C 39 59.522 59.148 0.374 1
1 408 . 8 1 1 A 39 39 GLU CB C 39 29.773 28.956 0.817 1
1 410 . 8 1 1 A 39 39 GLU N N 39 119.510 117.621 1.889 1
1 411 . 8 1 1 A 40 40 MET H H 40 8.167 8.465 -0.298 1
1 412 . 8 1 1 A 40 40 MET HA H 40 3.599 4.154 -0.555 1
1 420 . 8 1 1 A 40 40 MET C C 40 179.813 178.357 1.456 1
1 421 . 8 1 1 A 40 40 MET CA C 40 59.533 58.663 0.870 1
1 422 . 8 1 1 A 40 40 MET CB C 40 35.410 33.085 2.325 1
1 425 . 8 1 1 A 40 40 MET N N 40 117.312 118.888 -1.576 1
1 426 . 8 1 1 A 41 41 ALA H H 41 8.689 7.835 0.854 1
1 427 . 8 1 1 A 41 41 ALA HA H 41 4.102 4.400 -0.298 1
1 431 . 8 1 1 A 41 41 ALA C C 41 179.610 178.896 0.714 1
1 432 . 8 1 1 A 41 41 ALA CA C 41 55.866 54.913 0.953 1
1 433 . 8 1 1 A 41 41 ALA CB C 41 18.609 18.506 0.103 1
1 434 . 8 1 1 A 41 41 ALA N N 41 128.620 121.435 7.185 1
1 435 . 8 1 1 A 42 42 ASP H H 42 8.324 7.148 1.176 1
1 436 . 8 1 1 A 42 42 ASP HA H 42 4.306 4.636 -0.330 1
1 439 . 8 1 1 A 42 42 ASP C C 42 179.003 178.480 0.523 1
1 440 . 8 1 1 A 42 42 ASP CA C 42 57.241 56.397 0.844 1
1 441 . 8 1 1 A 42 42 ASP CB C 42 40.319 41.649 -1.330 1
1 442 . 8 1 1 A 42 42 ASP N N 42 120.159 118.090 2.069 1
1 443 . 8 1 1 A 43 43 LYS H H 43 8.036 7.926 0.110 1
1 444 . 8 1 1 A 43 43 LYS HA H 43 4.155 4.016 0.139 1
1 452 . 8 1 1 A 43 43 LYS C C 43 178.105 178.713 -0.608 1
1 453 . 8 1 1 A 43 43 LYS CA C 43 58.580 59.117 -0.537 1
1 454 . 8 1 1 A 43 43 LYS CB C 43 33.893 32.253 1.640 1
1 458 . 8 1 1 A 43 43 LYS N N 43 116.586 119.194 -2.608 1
1 459 . 8 1 1 A 44 44 SER H H 44 8.314 8.185 0.129 1
1 460 . 8 1 1 A 44 44 SER HA H 44 4.486 4.557 -0.071 1
1 463 . 8 1 1 A 44 44 SER C C 44 175.458 175.427 0.031 1
1 464 . 8 1 1 A 44 44 SER CA C 44 59.955 58.786 1.169 1
1 465 . 8 1 1 A 44 44 SER CB C 44 66.025 65.123 0.902 1
1 466 . 8 1 1 A 44 44 SER N N 44 111.140 110.577 0.563 1
1 467 . 8 1 1 A 45 45 GLY H H 45 8.249 8.089 0.160 1
1 468 . 8 1 1 A 45 45 GLY HA2 H 45 3.872 4.019 -0.147 1
1 469 . 8 1 1 A 45 45 GLY HA3 H 45 4.233 4.022 0.211 1
1 470 . 8 1 1 A 45 45 GLY C C 45 174.317 174.181 0.136 1
1 471 . 8 1 1 A 45 45 GLY CA C 45 45.889 44.868 1.021 1
1 472 . 8 1 1 A 45 45 GLY N N 45 112.770 110.703 2.067 1
1 473 . 8 1 1 A 46 46 LEU H H 46 7.800 7.623 0.177 1
1 474 . 8 1 1 A 46 46 LEU HA H 46 4.685 4.589 0.096 1
1 484 . 8 1 1 A 46 46 LEU C C 46 174.366 174.711 -0.345 1
1 485 . 8 1 1 A 46 46 LEU CA C 46 52.235 52.433 -0.198 1
1 486 . 8 1 1 A 46 46 LEU CB C 46 43.285 41.423 1.862 1
1 490 . 8 1 1 A 46 46 LEU N N 46 121.722 122.141 -0.419 1
1 491 . 8 1 1 A 47 47 PRO HA H 47 4.542 4.575 -0.033 1
1 497 . 8 1 1 A 47 47 PRO C C 47 178.542 176.462 2.080 1
1 498 . 8 1 1 A 47 47 PRO CA C 47 62.000 62.331 -0.331 1
1 499 . 8 1 1 A 47 47 PRO CB C 47 32.731 33.327 -0.596 1
1 502 . 8 1 1 A 48 48 GLN H H 48 9.124 8.695 0.429 1
1 503 . 8 1 1 A 48 48 GLN HA H 48 3.629 4.124 -0.495 1
1 510 . 8 1 1 A 48 48 GLN C C 48 178.080 177.710 0.370 1
1 511 . 8 1 1 A 48 48 GLN CA C 48 60.872 57.980 2.892 1
1 512 . 8 1 1 A 48 48 GLN CB C 48 28.455 28.766 -0.311 1
1 514 . 8 1 1 A 48 48 GLN N N 48 123.862 120.197 3.665 1
1 516 . 8 1 1 A 49 49 LYS H H 49 8.912 8.068 0.844 1
1 517 . 8 1 1 A 49 49 LYS HA H 49 3.969 4.145 -0.176 1
1 524 . 8 1 1 A 49 49 LYS C C 49 178.954 178.839 0.115 1
1 525 . 8 1 1 A 49 49 LYS CA C 49 59.955 59.247 0.708 1
1 526 . 8 1 1 A 49 49 LYS CB C 49 32.327 31.999 0.328 1
1 530 . 8 1 1 A 49 49 LYS N N 49 116.406 118.901 -2.495 1
1 531 . 8 1 1 A 50 50 VAL H H 50 6.874 7.875 -1.001 1
1 532 . 8 1 1 A 50 50 VAL HA H 50 3.835 3.752 0.083 1
1 540 . 8 1 1 A 50 50 VAL C C 50 178.299 178.383 -0.084 1
1 541 . 8 1 1 A 50 50 VAL CA C 50 65.560 66.055 -0.495 1
1 542 . 8 1 1 A 50 50 VAL CB C 50 32.080 31.719 0.361 1
1 545 . 8 1 1 A 50 50 VAL N N 50 119.065 119.815 -0.750 1
1 546 . 8 1 1 A 51 51 ILE H H 51 7.503 7.784 -0.281 1
1 547 . 8 1 1 A 51 51 ILE HA H 51 3.672 3.686 -0.014 1
1 557 . 8 1 1 A 51 51 ILE C C 51 178.007 178.161 -0.154 1
1 558 . 8 1 1 A 51 51 ILE CA C 51 66.019 65.626 0.393 1
1 559 . 8 1 1 A 51 51 ILE CB C 51 38.081 37.720 0.361 1
1 563 . 8 1 1 A 51 51 ILE N N 51 121.254 120.859 0.395 1
1 564 . 8 1 1 A 52 52 LYS H H 52 8.596 8.000 0.596 1
1 565 . 8 1 1 A 52 52 LYS HA H 52 3.984 4.140 -0.156 1
1 572 . 8 1 1 A 52 52 LYS C C 52 179.302 179.048 0.254 1
1 573 . 8 1 1 A 52 52 LYS CA C 52 60.978 59.067 1.911 1
1 574 . 8 1 1 A 52 52 LYS CB C 52 32.574 32.474 0.100 1
1 578 . 8 1 1 A 52 52 LYS N N 52 118.531 120.102 -1.571 1
1 579 . 8 1 1 A 53 53 HIS H H 53 7.952 8.200 -0.248 1
1 580 . 8 1 1 A 53 53 HIS HA H 53 4.324 4.370 -0.046 1
1 585 . 8 1 1 A 53 53 HIS C C 53 177.085 177.170 -0.085 1
1 586 . 8 1 1 A 53 53 HIS CA C 53 60.026 59.369 0.657 1
1 587 . 8 1 1 A 53 53 HIS CB C 53 30.867 30.546 0.321 1
1 590 . 8 1 1 A 53 53 HIS N N 53 118.728 119.398 -0.670 1
1 591 . 8 1 1 A 54 54 TRP H H 54 8.614 8.658 -0.044 1
1 592 . 8 1 1 A 54 54 TRP HA H 54 4.048 4.270 -0.222 1
1 601 . 8 1 1 A 54 54 TRP C C 54 180.144 178.408 1.736 1
1 602 . 8 1 1 A 54 54 TRP CA C 54 62.916 61.080 1.836 1
1 603 . 8 1 1 A 54 54 TRP CB C 54 28.766 29.659 -0.893 1
1 609 . 8 1 1 A 54 54 TRP N N 54 121.845 121.715 0.130 1
1 611 . 8 1 1 A 55 55 PHE H H 55 9.035 8.422 0.613 1
1 612 . 8 1 1 A 55 55 PHE HA H 55 3.786 4.228 -0.442 1
1 620 . 8 1 1 A 55 55 PHE C C 55 178.129 178.022 0.107 1
1 621 . 8 1 1 A 55 55 PHE CA C 55 63.617 62.537 1.080 1
1 622 . 8 1 1 A 55 55 PHE CB C 55 39.260 38.873 0.387 1
1 628 . 8 1 1 A 55 55 PHE N N 55 120.180 118.227 1.953 1
1 629 . 8 1 1 A 56 56 ARG H H 56 7.962 8.425 -0.463 1
1 630 . 8 1 1 A 56 56 ARG HA H 56 4.095 3.967 0.128 1
1 636 . 8 1 1 A 56 56 ARG C C 56 178.444 178.189 0.255 1
1 637 . 8 1 1 A 56 56 ARG CA C 56 59.356 59.556 -0.200 1
1 638 . 8 1 1 A 56 56 ARG CB C 56 30.087 29.804 0.283 1
1 641 . 8 1 1 A 56 56 ARG N N 56 118.370 121.074 -2.704 1
1 642 . 8 1 1 A 57 57 ASN H H 57 8.194 8.326 -0.132 1
1 643 . 8 1 1 A 57 57 ASN HA H 57 4.401 4.297 0.104 1
1 648 . 8 1 1 A 57 57 ASN C C 57 176.866 178.123 -1.257 1
1 649 . 8 1 1 A 57 57 ASN CA C 57 55.497 56.034 -0.537 1
1 650 . 8 1 1 A 57 57 ASN CB C 57 38.640 39.249 -0.609 1
1 651 . 8 1 1 A 57 57 ASN N N 57 117.190 117.685 -0.495 1
1 653 . 8 1 1 A 58 58 THR H H 58 7.999 7.784 0.215 1
1 654 . 8 1 1 A 58 58 THR HA H 58 3.426 3.680 -0.254 1
1 659 . 8 1 1 A 58 58 THR C C 58 175.361 176.120 -0.759 1
1 660 . 8 1 1 A 58 58 THR CA C 58 65.801 66.761 -0.960 1
1 661 . 8 1 1 A 58 58 THR CB C 58 68.064 67.909 0.155 1
1 663 . 8 1 1 A 58 58 THR N N 58 117.859 115.725 2.134 1
1 664 . 8 1 1 A 59 59 LEU H H 59 7.950 8.374 -0.424 1
1 665 . 8 1 1 A 59 59 LEU HA H 59 4.127 4.194 -0.067 1
1 674 . 8 1 1 A 59 59 LEU C C 59 177.886 178.757 -0.871 1
1 675 . 8 1 1 A 59 59 LEU CA C 59 57.628 58.659 -1.031 1
1 676 . 8 1 1 A 59 59 LEU CB C 59 42.296 42.104 0.192 1
1 680 . 8 1 1 A 59 59 LEU N N 59 122.280 121.602 0.678 1
1 681 . 8 1 1 A 60 60 PHE H H 60 7.797 8.792 -0.995 1
1 682 . 8 1 1 A 60 60 PHE HA H 60 4.309 3.985 0.324 1
1 690 . 8 1 1 A 60 60 PHE C C 60 177.085 177.665 -0.580 1
1 691 . 8 1 1 A 60 60 PHE CA C 60 59.920 61.956 -2.036 1
1 692 . 8 1 1 A 60 60 PHE CB C 60 38.918 39.401 -0.483 1
1 698 . 8 1 1 A 60 60 PHE N N 60 118.008 119.701 -1.693 1
1 699 . 8 1 1 A 61 61 LYS H H 61 7.839 7.803 0.036 1
1 700 . 8 1 1 A 61 61 LYS HA H 61 4.007 3.986 0.021 1
1 707 . 8 1 1 A 61 61 LYS C C 61 178.032 179.216 -1.184 1
1 708 . 8 1 1 A 61 61 LYS CA C 61 58.016 59.942 -1.926 1
1 709 . 8 1 1 A 61 61 LYS CB C 61 32.657 31.992 0.665 1
1 713 . 8 1 1 A 61 61 LYS N N 61 119.447 118.636 0.811 1
1 714 . 8 1 1 A 62 62 GLU H H 62 8.139 8.448 -0.309 1
1 715 . 8 1 1 A 62 62 GLU HA H 62 4.146 4.114 0.032 1
1 720 . 8 1 1 A 62 62 GLU C C 62 177.595 179.230 -1.635 1
1 721 . 8 1 1 A 62 62 GLU CA C 62 57.699 59.003 -1.304 1
1 722 . 8 1 1 A 62 62 GLU CB C 62 29.608 29.359 0.249 1
1 724 . 8 1 1 A 62 62 GLU N N 62 119.302 119.115 0.187 1
1 725 . 8 1 1 A 63 63 ARG H H 63 8.015 7.711 0.304 1
1 726 . 8 1 1 A 63 63 ARG HA H 63 4.258 4.112 0.146 1
1 732 . 8 1 1 A 63 63 ARG C C 63 176.769 178.558 -1.789 1
1 733 . 8 1 1 A 63 63 ARG CA C 63 56.677 58.730 -2.053 1
1 734 . 8 1 1 A 63 63 ARG CB C 63 30.514 29.867 0.647 1
1 737 . 8 1 1 A 63 63 ARG N N 63 119.598 119.221 0.377 1
1 738 . 8 1 1 A 64 64 GLN H H 64 8.058 8.189 -0.131 1
1 739 . 8 1 1 A 64 64 GLN HA H 64 4.242 4.106 0.136 1
1 745 . 8 1 1 A 64 64 GLN C C 64 176.114 176.171 -0.057 1
1 746 . 8 1 1 A 64 64 GLN CA C 64 56.148 58.501 -2.353 1
1 747 . 8 1 1 A 64 64 GLN CB C 64 29.258 28.467 0.791 1
1 749 . 8 1 1 A 64 64 GLN N N 64 120.027 116.425 3.602 1
1 751 . 8 1 1 A 65 65 SER H H 65 8.172 7.911 0.261 1
1 752 . 8 1 1 A 65 65 SER HA H 65 4.457 4.240 0.217 1
1 755 . 8 1 1 A 65 65 SER C C 65 174.487 174.077 0.410 1
1 756 . 8 1 1 A 65 65 SER CA C 65 58.404 59.806 -1.402 1
1 757 . 8 1 1 A 65 65 SER CB C 65 63.965 63.231 0.734 1
1 758 . 8 1 1 A 65 65 SER N N 65 116.070 116.413 -0.343 1
1 759 . 8 1 1 A 66 66 GLY H H 66 8.170 8.634 -0.464 1
1 760 . 8 1 1 A 66 66 GLY HA2 H 66 4.141 4.154 -0.013 1
1 761 . 8 1 1 A 66 66 GLY HA3 H 66 4.082 4.157 -0.075 1
1 762 . 8 1 1 A 66 66 GLY C C 66 171.768 172.382 -0.614 1
1 763 . 8 1 1 A 66 66 GLY CA C 66 44.620 44.278 0.342 1
1 764 . 8 1 1 A 66 66 GLY N N 66 110.579 112.978 -2.399 1
1 765 . 8 1 1 A 67 67 PRO HA H 67 4.453 4.670 -0.217 1
1 770 . 8 1 1 A 67 67 PRO C C 67 177.400 176.444 0.956 1
1 771 . 8 1 1 A 67 67 PRO CA C 67 63.198 62.825 0.373 1
1 772 . 8 1 1 A 67 67 PRO CB C 67 32.171 31.763 0.408 1
1 775 . 8 1 1 A 68 68 SER H H 68 8.525 8.571 -0.046 1
1 776 . 8 1 1 A 68 68 SER HA H 68 4.490 4.746 -0.256 1
1 779 . 8 1 1 A 68 68 SER C C 68 174.657 174.635 0.022 1
1 780 . 8 1 1 A 68 68 SER CA C 68 58.589 57.188 1.401 1
1 781 . 8 1 1 A 68 68 SER CB C 68 63.800 63.532 0.268 1
1 782 . 8 1 1 A 68 68 SER N N 68 116.415 118.256 -1.841 1
1 783 . 8 1 1 A 69 69 SER H H 69 8.316 9.157 -0.841 1
1 784 . 8 1 1 A 69 69 SER HA H 69 4.467 4.440 0.027 1
1 787 . 8 1 1 A 69 69 SER C C 69 173.953 174.600 -0.647 1
1 788 . 8 1 1 A 69 69 SER CA C 69 58.369 59.631 -1.262 1
1 789 . 8 1 1 A 69 69 SER CB C 69 64.047 64.787 -0.740 1
1 790 . 8 1 1 A 69 69 SER N N 69 117.832 122.650 -4.818 1
1 1 . 9 1 1 A 7 7 GLY H H 7 8.499 7.816 0.683 1
1 2 . 9 1 1 A 7 7 GLY HA2 H 7 3.948 4.021 -0.073 1
1 3 . 9 1 1 A 7 7 GLY HA3 H 7 3.948 4.022 -0.074 1
1 4 . 9 1 1 A 7 7 GLY C C 7 173.949 173.316 0.633 1
1 5 . 9 1 1 A 7 7 GLY CA C 7 45.325 45.086 0.239 1
1 6 . 9 1 1 A 8 8 LYS H H 8 8.116 8.217 -0.101 1
1 7 . 9 1 1 A 8 8 LYS HA H 8 4.308 5.170 -0.862 1
1 14 . 9 1 1 A 8 8 LYS C C 8 176.504 174.895 1.609 1
1 15 . 9 1 1 A 8 8 LYS CA C 8 56.113 54.493 1.620 1
1 16 . 9 1 1 A 8 8 LYS CB C 8 33.151 36.002 -2.851 1
1 20 . 9 1 1 A 8 8 LYS N N 8 120.734 117.694 3.040 1
1 21 . 9 1 1 A 9 9 ARG H H 9 8.362 8.762 -0.400 1
1 22 . 9 1 1 A 9 9 ARG HA H 9 4.590 4.785 -0.195 1
1 27 . 9 1 1 A 9 9 ARG C C 9 176.479 175.909 0.570 1
1 28 . 9 1 1 A 9 9 ARG CA C 9 53.962 52.811 1.151 1
1 29 . 9 1 1 A 9 9 ARG CB C 9 30.103 31.611 -1.508 1
1 32 . 9 1 1 A 9 9 ARG N N 9 123.609 121.142 2.467 1
1 33 . 9 1 1 A 10 10 PRO HA H 10 4.419 4.463 -0.044 1
1 39 . 9 1 1 A 10 10 PRO C C 10 176.796 175.199 1.597 1
1 40 . 9 1 1 A 10 10 PRO CA C 10 62.987 63.992 -1.005 1
1 41 . 9 1 1 A 10 10 PRO CB C 10 32.080 31.623 0.457 1
1 44 . 9 1 1 A 11 11 ARG H H 11 8.517 7.324 1.193 1
1 45 . 9 1 1 A 11 11 ARG C C 11 176.551 175.213 1.338 1
1 46 . 9 1 1 A 11 11 ARG CA C 11 56.077 54.279 1.798 1
1 47 . 9 1 1 A 11 11 ARG CB C 11 30.762 33.553 -2.791 1
1 48 . 9 1 1 A 11 11 ARG N N 11 121.931 113.725 8.206 1
1 49 . 9 1 1 A 12 12 THR HA H 12 4.260 4.674 -0.414 1
1 54 . 9 1 1 A 12 12 THR C C 12 173.904 173.586 0.318 1
1 55 . 9 1 1 A 12 12 THR CA C 12 62.218 61.229 0.989 1
1 56 . 9 1 1 A 12 12 THR CB C 12 69.843 69.841 0.002 1
1 58 . 9 1 1 A 13 13 ARG H H 13 8.434 8.788 -0.354 1
1 59 . 9 1 1 A 13 13 ARG HA H 13 4.381 5.068 -0.687 1
1 65 . 9 1 1 A 13 13 ARG C C 13 175.336 175.037 0.299 1
1 66 . 9 1 1 A 13 13 ARG CA C 13 55.972 54.187 1.785 1
1 67 . 9 1 1 A 13 13 ARG CB C 13 31.059 33.923 -2.864 1
1 70 . 9 1 1 A 13 13 ARG N N 13 125.368 124.270 1.098 1
1 71 . 9 1 1 A 14 14 ILE H H 14 8.179 8.402 -0.223 1
1 72 . 9 1 1 A 14 14 ILE HA H 14 4.268 4.532 -0.264 1
1 82 . 9 1 1 A 14 14 ILE C C 14 176.844 175.678 1.166 1
1 83 . 9 1 1 A 14 14 ILE CA C 14 61.647 60.532 1.115 1
1 84 . 9 1 1 A 14 14 ILE CB C 14 39.248 37.854 1.394 1
1 88 . 9 1 1 A 14 14 ILE N N 14 123.951 127.421 -3.470 1
1 89 . 9 1 1 A 15 15 THR H H 15 8.922 8.363 0.559 1
1 90 . 9 1 1 A 15 15 THR HA H 15 4.386 4.712 -0.326 1
1 95 . 9 1 1 A 15 15 THR C C 15 175.263 174.590 0.673 1
1 96 . 9 1 1 A 15 15 THR CA C 15 61.402 59.886 1.516 1
1 97 . 9 1 1 A 15 15 THR CB C 15 70.796 71.503 -0.707 1
1 99 . 9 1 1 A 15 15 THR N N 15 119.222 118.079 1.143 1
1 100 . 9 1 1 A 16 16 ASP H H 16 8.951 8.968 -0.017 1
1 101 . 9 1 1 A 16 16 ASP HA H 16 4.353 4.360 -0.007 1
1 104 . 9 1 1 A 16 16 ASP C C 16 178.888 177.778 1.110 1
1 105 . 9 1 1 A 16 16 ASP CA C 16 58.016 56.722 1.294 1
1 106 . 9 1 1 A 16 16 ASP CB C 16 40.154 40.376 -0.222 1
1 107 . 9 1 1 A 16 16 ASP N N 16 120.852 126.079 -5.227 1
1 108 . 9 1 1 A 17 17 ASP H H 17 8.387 8.183 0.204 1
1 109 . 9 1 1 A 17 17 ASP HA H 17 4.361 4.443 -0.082 1
1 112 . 9 1 1 A 17 17 ASP C C 17 178.815 177.769 1.046 1
1 113 . 9 1 1 A 17 17 ASP CA C 17 57.311 56.277 1.034 1
1 114 . 9 1 1 A 17 17 ASP CB C 17 40.649 40.597 0.052 1
1 115 . 9 1 1 A 17 17 ASP N N 17 118.488 119.345 -0.857 1
1 116 . 9 1 1 A 18 18 GLN H H 18 7.561 7.772 -0.211 1
1 117 . 9 1 1 A 18 18 GLN HA H 18 3.844 4.190 -0.346 1
1 124 . 9 1 1 A 18 18 GLN C C 18 177.988 178.084 -0.096 1
1 125 . 9 1 1 A 18 18 GLN CA C 18 58.933 58.064 0.869 1
1 126 . 9 1 1 A 18 18 GLN CB C 18 28.702 29.010 -0.308 1
1 128 . 9 1 1 A 18 18 GLN N N 18 119.852 119.425 0.427 1
1 130 . 9 1 1 A 19 19 LEU H H 19 8.538 8.095 0.443 1
1 131 . 9 1 1 A 19 19 LEU HA H 19 3.549 3.653 -0.104 1
1 141 . 9 1 1 A 19 19 LEU C C 19 178.202 178.102 0.100 1
1 142 . 9 1 1 A 19 19 LEU CA C 19 57.593 57.904 -0.311 1
1 143 . 9 1 1 A 19 19 LEU CB C 19 41.720 41.584 0.136 1
1 147 . 9 1 1 A 19 19 LEU N N 19 120.203 122.106 -1.903 1
1 148 . 9 1 1 A 20 20 ARG H H 20 7.644 7.860 -0.216 1
1 149 . 9 1 1 A 20 20 ARG HA H 20 3.893 4.085 -0.192 1
1 155 . 9 1 1 A 20 20 ARG C C 20 179.148 178.389 0.759 1
1 156 . 9 1 1 A 20 20 ARG CA C 20 59.744 58.579 1.165 1
1 157 . 9 1 1 A 20 20 ARG CB C 20 29.855 30.047 -0.192 1
1 160 . 9 1 1 A 20 20 ARG N N 20 117.442 117.744 -0.302 1
1 161 . 9 1 1 A 21 21 VAL H H 21 7.074 7.887 -0.813 1
1 162 . 9 1 1 A 21 21 VAL HA H 21 3.726 3.727 -0.001 1
1 170 . 9 1 1 A 21 21 VAL C C 21 177.643 178.180 -0.537 1
1 171 . 9 1 1 A 21 21 VAL CA C 21 66.098 66.012 0.086 1
1 172 . 9 1 1 A 21 21 VAL CB C 21 31.750 31.509 0.241 1
1 175 . 9 1 1 A 21 21 VAL N N 21 118.796 120.449 -1.653 1
1 176 . 9 1 1 A 22 22 LEU H H 22 7.620 8.059 -0.439 1
1 177 . 9 1 1 A 22 22 LEU HA H 22 3.947 3.906 0.041 1
1 187 . 9 1 1 A 22 22 LEU C C 22 178.979 178.764 0.215 1
1 188 . 9 1 1 A 22 22 LEU CA C 22 58.369 56.951 1.418 1
1 189 . 9 1 1 A 22 22 LEU CB C 22 38.869 40.883 -2.014 1
1 193 . 9 1 1 A 22 22 LEU N N 22 119.184 120.238 -1.054 1
1 194 . 9 1 1 A 23 23 ARG H H 23 8.451 8.099 0.352 1
1 195 . 9 1 1 A 23 23 ARG HA H 23 4.054 4.196 -0.142 1
1 202 . 9 1 1 A 23 23 ARG C C 23 178.177 179.503 -1.326 1
1 203 . 9 1 1 A 23 23 ARG CA C 23 59.157 59.582 -0.425 1
1 204 . 9 1 1 A 23 23 ARG CB C 23 29.772 30.300 -0.528 1
1 207 . 9 1 1 A 23 23 ARG N N 23 116.571 120.359 -3.788 1
1 208 . 9 1 1 A 24 24 GLN H H 24 7.749 8.389 -0.640 1
1 209 . 9 1 1 A 24 24 GLN HA H 24 4.129 4.139 -0.010 1
1 216 . 9 1 1 A 24 24 GLN C C 24 179.100 178.772 0.328 1
1 217 . 9 1 1 A 24 24 GLN CA C 24 58.827 59.103 -0.276 1
1 218 . 9 1 1 A 24 24 GLN CB C 24 28.290 28.307 -0.017 1
1 220 . 9 1 1 A 24 24 GLN N N 24 118.256 118.886 -0.630 1
1 222 . 9 1 1 A 25 25 TYR H H 25 7.902 8.247 -0.345 1
1 223 . 9 1 1 A 25 25 TYR HA H 25 4.295 4.352 -0.057 1
1 230 . 9 1 1 A 25 25 TYR C C 25 178.080 178.461 -0.381 1
1 231 . 9 1 1 A 25 25 TYR CA C 25 61.506 60.734 0.772 1
1 232 . 9 1 1 A 25 25 TYR CB C 25 39.001 38.337 0.664 1
1 237 . 9 1 1 A 25 25 TYR N N 25 117.374 120.339 -2.965 1
1 238 . 9 1 1 A 26 26 PHE H H 26 8.935 8.393 0.542 1
1 239 . 9 1 1 A 26 26 PHE HA H 26 4.366 4.632 -0.266 1
1 247 . 9 1 1 A 26 26 PHE C C 26 175.847 176.617 -0.770 1
1 248 . 9 1 1 A 26 26 PHE CA C 26 61.452 62.364 -0.912 1
1 249 . 9 1 1 A 26 26 PHE CB C 26 39.538 39.413 0.125 1
1 255 . 9 1 1 A 27 27 ASP H H 27 8.138 8.346 -0.208 1
1 256 . 9 1 1 A 27 27 ASP HA H 27 4.407 4.515 -0.108 1
1 259 . 9 1 1 A 27 27 ASP C C 27 177.546 178.359 -0.813 1
1 260 . 9 1 1 A 27 27 ASP CA C 27 56.007 57.513 -1.506 1
1 261 . 9 1 1 A 27 27 ASP CB C 27 40.813 41.898 -1.085 1
1 262 . 9 1 1 A 27 27 ASP N N 27 116.760 119.161 -2.401 1
1 263 . 9 1 1 A 28 28 ILE H H 28 7.463 7.241 0.222 1
1 264 . 9 1 1 A 28 28 ILE HA H 28 3.945 3.839 0.106 1
1 274 . 9 1 1 A 28 28 ILE C C 28 176.260 176.158 0.102 1
1 275 . 9 1 1 A 28 28 ILE CA C 28 62.881 64.580 -1.699 1
1 276 . 9 1 1 A 28 28 ILE CB C 28 38.836 37.961 0.875 1
1 280 . 9 1 1 A 28 28 ILE N N 28 119.169 118.719 0.450 1
1 281 . 9 1 1 A 29 29 ASN H H 29 8.214 7.820 0.394 1
1 282 . 9 1 1 A 29 29 ASN HA H 29 4.620 4.914 -0.294 1
1 287 . 9 1 1 A 29 29 ASN C C 29 173.633 175.264 -1.631 1
1 288 . 9 1 1 A 29 29 ASN CA C 29 53.081 51.477 1.604 1
1 289 . 9 1 1 A 29 29 ASN CB C 29 39.330 41.428 -2.098 1
1 290 . 9 1 1 A 29 29 ASN N N 29 117.989 115.783 2.206 1
1 292 . 9 1 1 A 30 30 ASN H H 30 8.383 8.570 -0.187 1
1 293 . 9 1 1 A 30 30 ASN HA H 30 4.231 3.883 0.348 1
1 298 . 9 1 1 A 30 30 ASN C C 30 174.338 175.364 -1.026 1
1 299 . 9 1 1 A 30 30 ASN CA C 30 53.610 56.517 -2.907 1
1 300 . 9 1 1 A 30 30 ASN CB C 30 38.836 38.360 0.476 1
1 301 . 9 1 1 A 30 30 ASN N N 30 120.522 122.198 -1.676 1
1 303 . 9 1 1 A 31 31 SER H H 31 7.941 7.885 0.056 1
1 304 . 9 1 1 A 31 31 SER HA H 31 4.795 4.581 0.214 1
1 307 . 9 1 1 A 31 31 SER C C 31 174.387 172.421 1.966 1
1 308 . 9 1 1 A 31 31 SER CA C 31 54.843 55.007 -0.164 1
1 309 . 9 1 1 A 31 31 SER CB C 31 63.553 64.525 -0.972 1
1 310 . 9 1 1 A 31 31 SER N N 31 112.907 110.611 2.296 1
1 311 . 9 1 1 A 32 32 PRO HA H 32 4.437 4.507 -0.070 1
1 318 . 9 1 1 A 32 32 PRO C C 32 176.844 176.180 0.664 1
1 319 . 9 1 1 A 32 32 PRO CA C 32 62.180 62.122 0.058 1
1 320 . 9 1 1 A 32 32 PRO CB C 32 32.380 32.196 0.184 1
1 323 . 9 1 1 A 33 33 SER H H 33 8.658 8.340 0.318 1
1 324 . 9 1 1 A 33 33 SER HA H 33 4.462 4.798 -0.336 1
1 327 . 9 1 1 A 33 33 SER C C 33 175.068 175.827 -0.759 1
1 328 . 9 1 1 A 33 33 SER CA C 33 56.539 56.243 0.296 1
1 329 . 9 1 1 A 33 33 SER CB C 33 65.613 66.326 -0.713 1
1 330 . 9 1 1 A 33 33 SER N N 33 117.201 114.392 2.809 1
1 331 . 9 1 1 A 34 34 GLU H H 34 8.983 9.214 -0.231 1
1 332 . 9 1 1 A 34 34 GLU HA H 34 3.885 3.988 -0.103 1
1 337 . 9 1 1 A 34 34 GLU C C 34 179.464 178.523 0.941 1
1 338 . 9 1 1 A 34 34 GLU CA C 34 59.990 59.370 0.620 1
1 339 . 9 1 1 A 34 34 GLU CB C 34 29.031 29.124 -0.093 1
1 341 . 9 1 1 A 34 34 GLU N N 34 120.557 121.350 -0.793 1
1 342 . 9 1 1 A 35 35 GLU H H 35 8.672 7.978 0.694 1
1 343 . 9 1 1 A 35 35 GLU HA H 35 3.989 4.102 -0.113 1
1 348 . 9 1 1 A 35 35 GLU C C 35 179.440 178.832 0.608 1
1 349 . 9 1 1 A 35 35 GLU CA C 35 60.096 59.212 0.884 1
1 350 . 9 1 1 A 35 35 GLU CB C 35 28.949 29.873 -0.924 1
1 352 . 9 1 1 A 35 35 GLU N N 35 119.112 120.280 -1.168 1
1 353 . 9 1 1 A 36 36 GLN H H 36 7.705 8.093 -0.388 1
1 354 . 9 1 1 A 36 36 GLN HA H 36 4.012 4.381 -0.369 1
1 360 . 9 1 1 A 36 36 GLN C C 36 178.372 178.432 -0.060 1
1 361 . 9 1 1 A 36 36 GLN CA C 36 58.968 58.561 0.407 1
1 362 . 9 1 1 A 36 36 GLN CB C 36 28.290 28.513 -0.223 1
1 364 . 9 1 1 A 36 36 GLN N N 36 120.638 118.613 2.025 1
1 366 . 9 1 1 A 37 37 ILE H H 37 8.308 8.606 -0.298 1
1 367 . 9 1 1 A 37 37 ILE HA H 37 3.474 3.758 -0.284 1
1 377 . 9 1 1 A 37 37 ILE C C 37 177.400 178.717 -1.317 1
1 378 . 9 1 1 A 37 37 ILE CA C 37 65.173 64.995 0.178 1
1 379 . 9 1 1 A 37 37 ILE CB C 37 36.447 37.756 -1.309 1
1 383 . 9 1 1 A 37 37 ILE N N 37 121.515 120.689 0.826 1
1 384 . 9 1 1 A 38 38 LYS H H 38 7.808 7.908 -0.100 1
1 385 . 9 1 1 A 38 38 LYS HA H 38 3.803 4.040 -0.237 1
1 393 . 9 1 1 A 38 38 LYS C C 38 178.153 178.924 -0.771 1
1 394 . 9 1 1 A 38 38 LYS CA C 38 60.096 59.359 0.737 1
1 395 . 9 1 1 A 38 38 LYS CB C 38 31.833 32.503 -0.670 1
1 399 . 9 1 1 A 38 38 LYS N N 38 120.672 122.441 -1.769 1
1 400 . 9 1 1 A 39 39 GLU H H 39 7.719 8.237 -0.518 1
1 401 . 9 1 1 A 39 39 GLU HA H 39 4.089 4.095 -0.006 1
1 406 . 9 1 1 A 39 39 GLU C C 39 179.278 178.263 1.015 1
1 407 . 9 1 1 A 39 39 GLU CA C 39 59.522 59.206 0.316 1
1 408 . 9 1 1 A 39 39 GLU CB C 39 29.773 29.048 0.725 1
1 410 . 9 1 1 A 39 39 GLU N N 39 119.510 117.594 1.916 1
1 411 . 9 1 1 A 40 40 MET H H 40 8.167 8.388 -0.221 1
1 412 . 9 1 1 A 40 40 MET HA H 40 3.599 4.201 -0.602 1
1 420 . 9 1 1 A 40 40 MET C C 40 179.813 178.340 1.473 1
1 421 . 9 1 1 A 40 40 MET CA C 40 59.533 58.611 0.922 1
1 422 . 9 1 1 A 40 40 MET CB C 40 35.410 33.001 2.409 1
1 425 . 9 1 1 A 40 40 MET N N 40 117.312 118.981 -1.669 1
1 426 . 9 1 1 A 41 41 ALA H H 41 8.689 7.971 0.718 1
1 427 . 9 1 1 A 41 41 ALA HA H 41 4.102 4.347 -0.245 1
1 431 . 9 1 1 A 41 41 ALA C C 41 179.610 179.110 0.500 1
1 432 . 9 1 1 A 41 41 ALA CA C 41 55.866 55.008 0.858 1
1 433 . 9 1 1 A 41 41 ALA CB C 41 18.609 18.419 0.190 1
1 434 . 9 1 1 A 41 41 ALA N N 41 128.620 121.533 7.087 1
1 435 . 9 1 1 A 42 42 ASP H H 42 8.324 7.246 1.078 1
1 436 . 9 1 1 A 42 42 ASP HA H 42 4.306 4.582 -0.276 1
1 439 . 9 1 1 A 42 42 ASP C C 42 179.003 178.549 0.454 1
1 440 . 9 1 1 A 42 42 ASP CA C 42 57.241 56.299 0.942 1
1 441 . 9 1 1 A 42 42 ASP CB C 42 40.319 41.435 -1.116 1
1 442 . 9 1 1 A 42 42 ASP N N 42 120.159 117.936 2.223 1
1 443 . 9 1 1 A 43 43 LYS H H 43 8.036 7.671 0.365 1
1 444 . 9 1 1 A 43 43 LYS HA H 43 4.155 4.046 0.109 1
1 452 . 9 1 1 A 43 43 LYS C C 43 178.105 177.961 0.144 1
1 453 . 9 1 1 A 43 43 LYS CA C 43 58.580 58.956 -0.376 1
1 454 . 9 1 1 A 43 43 LYS CB C 43 33.893 32.350 1.543 1
1 458 . 9 1 1 A 43 43 LYS N N 43 116.586 118.924 -2.338 1
1 459 . 9 1 1 A 44 44 SER H H 44 8.314 8.235 0.079 1
1 460 . 9 1 1 A 44 44 SER HA H 44 4.486 4.572 -0.086 1
1 463 . 9 1 1 A 44 44 SER C C 44 175.458 175.502 -0.044 1
1 464 . 9 1 1 A 44 44 SER CA C 44 59.955 58.633 1.322 1
1 465 . 9 1 1 A 44 44 SER CB C 44 66.025 65.255 0.770 1
1 466 . 9 1 1 A 44 44 SER N N 44 111.140 110.167 0.973 1
1 467 . 9 1 1 A 45 45 GLY H H 45 8.249 7.944 0.305 1
1 468 . 9 1 1 A 45 45 GLY HA2 H 45 3.872 4.004 -0.132 1
1 469 . 9 1 1 A 45 45 GLY HA3 H 45 4.233 4.008 0.225 1
1 470 . 9 1 1 A 45 45 GLY C C 45 174.317 174.012 0.305 1
1 471 . 9 1 1 A 45 45 GLY CA C 45 45.889 44.841 1.048 1
1 472 . 9 1 1 A 45 45 GLY N N 45 112.770 110.712 2.058 1
1 473 . 9 1 1 A 46 46 LEU H H 46 7.800 7.580 0.220 1
1 474 . 9 1 1 A 46 46 LEU HA H 46 4.685 4.580 0.105 1
1 484 . 9 1 1 A 46 46 LEU C C 46 174.366 174.656 -0.290 1
1 485 . 9 1 1 A 46 46 LEU CA C 46 52.235 52.395 -0.160 1
1 486 . 9 1 1 A 46 46 LEU CB C 46 43.285 41.465 1.820 1
1 490 . 9 1 1 A 46 46 LEU N N 46 121.722 121.975 -0.253 1
1 491 . 9 1 1 A 47 47 PRO HA H 47 4.542 4.563 -0.021 1
1 497 . 9 1 1 A 47 47 PRO C C 47 178.542 176.641 1.901 1
1 498 . 9 1 1 A 47 47 PRO CA C 47 62.000 62.389 -0.389 1
1 499 . 9 1 1 A 47 47 PRO CB C 47 32.731 33.285 -0.554 1
1 502 . 9 1 1 A 48 48 GLN H H 48 9.124 8.657 0.467 1
1 503 . 9 1 1 A 48 48 GLN HA H 48 3.629 4.167 -0.538 1
1 510 . 9 1 1 A 48 48 GLN C C 48 178.080 177.252 0.828 1
1 511 . 9 1 1 A 48 48 GLN CA C 48 60.872 58.044 2.828 1
1 512 . 9 1 1 A 48 48 GLN CB C 48 28.455 28.337 0.118 1
1 514 . 9 1 1 A 48 48 GLN N N 48 123.862 120.588 3.274 1
1 516 . 9 1 1 A 49 49 LYS H H 49 8.912 8.134 0.778 1
1 517 . 9 1 1 A 49 49 LYS HA H 49 3.969 4.115 -0.146 1
1 524 . 9 1 1 A 49 49 LYS C C 49 178.954 178.876 0.078 1
1 525 . 9 1 1 A 49 49 LYS CA C 49 59.955 59.146 0.809 1
1 526 . 9 1 1 A 49 49 LYS CB C 49 32.327 32.269 0.058 1
1 530 . 9 1 1 A 49 49 LYS N N 49 116.406 117.848 -1.442 1
1 531 . 9 1 1 A 50 50 VAL H H 50 6.874 7.983 -1.109 1
1 532 . 9 1 1 A 50 50 VAL HA H 50 3.835 3.588 0.247 1
1 540 . 9 1 1 A 50 50 VAL C C 50 178.299 178.528 -0.229 1
1 541 . 9 1 1 A 50 50 VAL CA C 50 65.560 66.143 -0.583 1
1 542 . 9 1 1 A 50 50 VAL CB C 50 32.080 31.528 0.552 1
1 545 . 9 1 1 A 50 50 VAL N N 50 119.065 120.324 -1.259 1
1 546 . 9 1 1 A 51 51 ILE H H 51 7.503 7.922 -0.419 1
1 547 . 9 1 1 A 51 51 ILE HA H 51 3.672 3.691 -0.019 1
1 557 . 9 1 1 A 51 51 ILE C C 51 178.007 178.275 -0.268 1
1 558 . 9 1 1 A 51 51 ILE CA C 51 66.019 65.560 0.459 1
1 559 . 9 1 1 A 51 51 ILE CB C 51 38.081 37.700 0.381 1
1 563 . 9 1 1 A 51 51 ILE N N 51 121.254 120.854 0.400 1
1 564 . 9 1 1 A 52 52 LYS H H 52 8.596 7.732 0.864 1
1 565 . 9 1 1 A 52 52 LYS HA H 52 3.984 4.149 -0.165 1
1 572 . 9 1 1 A 52 52 LYS C C 52 179.302 179.766 -0.464 1
1 573 . 9 1 1 A 52 52 LYS CA C 52 60.978 59.640 1.338 1
1 574 . 9 1 1 A 52 52 LYS CB C 52 32.574 32.522 0.052 1
1 578 . 9 1 1 A 52 52 LYS N N 52 118.531 119.904 -1.373 1
1 579 . 9 1 1 A 53 53 HIS H H 53 7.952 8.230 -0.278 1
1 580 . 9 1 1 A 53 53 HIS HA H 53 4.324 4.349 -0.025 1
1 585 . 9 1 1 A 53 53 HIS C C 53 177.085 177.981 -0.896 1
1 586 . 9 1 1 A 53 53 HIS CA C 53 60.026 59.147 0.879 1
1 587 . 9 1 1 A 53 53 HIS CB C 53 30.867 30.256 0.611 1
1 590 . 9 1 1 A 53 53 HIS N N 53 118.728 118.276 0.452 1
1 591 . 9 1 1 A 54 54 TRP H H 54 8.614 8.293 0.321 1
1 592 . 9 1 1 A 54 54 TRP HA H 54 4.048 4.342 -0.294 1
1 601 . 9 1 1 A 54 54 TRP C C 54 180.144 178.387 1.757 1
1 602 . 9 1 1 A 54 54 TRP CA C 54 62.916 61.036 1.880 1
1 603 . 9 1 1 A 54 54 TRP CB C 54 28.766 29.664 -0.898 1
1 609 . 9 1 1 A 54 54 TRP N N 54 121.845 121.490 0.355 1
1 611 . 9 1 1 A 55 55 PHE H H 55 9.035 8.510 0.525 1
1 612 . 9 1 1 A 55 55 PHE HA H 55 3.786 4.150 -0.364 1
1 620 . 9 1 1 A 55 55 PHE C C 55 178.129 178.005 0.124 1
1 621 . 9 1 1 A 55 55 PHE CA C 55 63.617 62.612 1.005 1
1 622 . 9 1 1 A 55 55 PHE CB C 55 39.260 38.584 0.676 1
1 628 . 9 1 1 A 55 55 PHE N N 55 120.180 118.144 2.036 1
1 629 . 9 1 1 A 56 56 ARG H H 56 7.962 8.449 -0.487 1
1 630 . 9 1 1 A 56 56 ARG HA H 56 4.095 3.988 0.107 1
1 636 . 9 1 1 A 56 56 ARG C C 56 178.444 178.156 0.288 1
1 637 . 9 1 1 A 56 56 ARG CA C 56 59.356 59.618 -0.262 1
1 638 . 9 1 1 A 56 56 ARG CB C 56 30.087 29.363 0.724 1
1 641 . 9 1 1 A 56 56 ARG N N 56 118.370 120.917 -2.547 1
1 642 . 9 1 1 A 57 57 ASN H H 57 8.194 8.488 -0.294 1
1 643 . 9 1 1 A 57 57 ASN HA H 57 4.401 4.358 0.043 1
1 648 . 9 1 1 A 57 57 ASN C C 57 176.866 177.869 -1.003 1
1 649 . 9 1 1 A 57 57 ASN CA C 57 55.497 56.346 -0.849 1
1 650 . 9 1 1 A 57 57 ASN CB C 57 38.640 38.614 0.026 1
1 651 . 9 1 1 A 57 57 ASN N N 57 117.190 117.790 -0.600 1
1 653 . 9 1 1 A 58 58 THR H H 58 7.999 7.761 0.238 1
1 654 . 9 1 1 A 58 58 THR HA H 58 3.426 3.725 -0.299 1
1 659 . 9 1 1 A 58 58 THR C C 58 175.361 175.776 -0.415 1
1 660 . 9 1 1 A 58 58 THR CA C 58 65.801 66.765 -0.964 1
1 661 . 9 1 1 A 58 58 THR CB C 58 68.064 68.167 -0.103 1
1 663 . 9 1 1 A 58 58 THR N N 58 117.859 115.162 2.697 1
1 664 . 9 1 1 A 59 59 LEU H H 59 7.950 8.111 -0.161 1
1 665 . 9 1 1 A 59 59 LEU HA H 59 4.127 4.162 -0.035 1
1 674 . 9 1 1 A 59 59 LEU C C 59 177.886 178.845 -0.959 1
1 675 . 9 1 1 A 59 59 LEU CA C 59 57.628 58.759 -1.131 1
1 676 . 9 1 1 A 59 59 LEU CB C 59 42.296 42.165 0.131 1
1 680 . 9 1 1 A 59 59 LEU N N 59 122.280 121.361 0.919 1
1 681 . 9 1 1 A 60 60 PHE H H 60 7.797 8.899 -1.102 1
1 682 . 9 1 1 A 60 60 PHE HA H 60 4.309 4.003 0.306 1
1 690 . 9 1 1 A 60 60 PHE C C 60 177.085 177.125 -0.040 1
1 691 . 9 1 1 A 60 60 PHE CA C 60 59.920 61.969 -2.049 1
1 692 . 9 1 1 A 60 60 PHE CB C 60 38.918 39.341 -0.423 1
1 698 . 9 1 1 A 60 60 PHE N N 60 118.008 119.599 -1.591 1
1 699 . 9 1 1 A 61 61 LYS H H 61 7.839 8.351 -0.512 1
1 700 . 9 1 1 A 61 61 LYS HA H 61 4.007 3.952 0.055 1
1 707 . 9 1 1 A 61 61 LYS C C 61 178.032 179.982 -1.950 1
1 708 . 9 1 1 A 61 61 LYS CA C 61 58.016 59.209 -1.193 1
1 709 . 9 1 1 A 61 61 LYS CB C 61 32.657 32.083 0.574 1
1 713 . 9 1 1 A 61 61 LYS N N 61 119.447 118.011 1.436 1
1 714 . 9 1 1 A 62 62 GLU H H 62 8.139 8.218 -0.079 1
1 715 . 9 1 1 A 62 62 GLU HA H 62 4.146 3.979 0.167 1
1 720 . 9 1 1 A 62 62 GLU C C 62 177.595 179.236 -1.641 1
1 721 . 9 1 1 A 62 62 GLU CA C 62 57.699 59.683 -1.984 1
1 722 . 9 1 1 A 62 62 GLU CB C 62 29.608 29.414 0.194 1
1 724 . 9 1 1 A 62 62 GLU N N 62 119.302 120.200 -0.898 1
1 725 . 9 1 1 A 63 63 ARG H H 63 8.015 7.397 0.618 1
1 726 . 9 1 1 A 63 63 ARG HA H 63 4.258 4.218 0.040 1
1 732 . 9 1 1 A 63 63 ARG C C 63 176.769 176.601 0.168 1
1 733 . 9 1 1 A 63 63 ARG CA C 63 56.677 58.832 -2.155 1
1 734 . 9 1 1 A 63 63 ARG CB C 63 30.514 30.301 0.213 1
1 737 . 9 1 1 A 63 63 ARG N N 63 119.598 118.849 0.749 1
1 738 . 9 1 1 A 64 64 GLN H H 64 8.058 7.845 0.213 1
1 739 . 9 1 1 A 64 64 GLN HA H 64 4.242 4.034 0.208 1
1 745 . 9 1 1 A 64 64 GLN C C 64 176.114 175.148 0.966 1
1 746 . 9 1 1 A 64 64 GLN CA C 64 56.148 56.737 -0.589 1
1 747 . 9 1 1 A 64 64 GLN CB C 64 29.258 29.395 -0.137 1
1 749 . 9 1 1 A 64 64 GLN N N 64 120.027 119.840 0.187 1
1 751 . 9 1 1 A 65 65 SER H H 65 8.172 8.704 -0.532 1
1 752 . 9 1 1 A 65 65 SER HA H 65 4.457 5.382 -0.925 1
1 755 . 9 1 1 A 65 65 SER C C 65 174.487 173.038 1.449 1
1 756 . 9 1 1 A 65 65 SER CA C 65 58.404 56.532 1.872 1
1 757 . 9 1 1 A 65 65 SER CB C 65 63.965 66.542 -2.577 1
1 758 . 9 1 1 A 65 65 SER N N 65 116.070 120.226 -4.156 1
1 759 . 9 1 1 A 66 66 GLY H H 66 8.170 8.298 -0.128 1
1 760 . 9 1 1 A 66 66 GLY HA2 H 66 4.141 4.177 -0.036 1
1 761 . 9 1 1 A 66 66 GLY HA3 H 66 4.082 4.181 -0.099 1
1 762 . 9 1 1 A 66 66 GLY C C 66 171.768 171.762 0.006 1
1 763 . 9 1 1 A 66 66 GLY CA C 66 44.620 45.112 -0.492 1
1 764 . 9 1 1 A 66 66 GLY N N 66 110.579 111.664 -1.085 1
1 765 . 9 1 1 A 67 67 PRO HA H 67 4.453 4.817 -0.364 1
1 770 . 9 1 1 A 67 67 PRO C C 67 177.400 176.763 0.637 1
1 771 . 9 1 1 A 67 67 PRO CA C 67 63.198 62.624 0.574 1
1 772 . 9 1 1 A 67 67 PRO CB C 67 32.171 31.488 0.683 1
1 775 . 9 1 1 A 68 68 SER H H 68 8.525 8.325 0.200 1
1 776 . 9 1 1 A 68 68 SER HA H 68 4.490 4.701 -0.211 1
1 779 . 9 1 1 A 68 68 SER C C 68 174.657 174.099 0.558 1
1 780 . 9 1 1 A 68 68 SER CA C 68 58.589 57.031 1.558 1
1 781 . 9 1 1 A 68 68 SER CB C 68 63.800 66.128 -2.328 1
1 782 . 9 1 1 A 68 68 SER N N 68 116.415 115.130 1.285 1
1 783 . 9 1 1 A 69 69 SER H H 69 8.316 8.658 -0.342 1
1 784 . 9 1 1 A 69 69 SER HA H 69 4.467 4.459 0.008 1
1 787 . 9 1 1 A 69 69 SER C C 69 173.953 174.571 -0.618 1
1 788 . 9 1 1 A 69 69 SER CA C 69 58.369 60.031 -1.662 1
1 789 . 9 1 1 A 69 69 SER CB C 69 64.047 62.750 1.297 1
1 790 . 9 1 1 A 69 69 SER N N 69 117.832 118.427 -0.595 1
1 1 . 10 1 1 A 7 7 GLY H H 7 8.499 7.856 0.643 1
1 2 . 10 1 1 A 7 7 GLY HA2 H 7 3.948 4.113 -0.165 1
1 3 . 10 1 1 A 7 7 GLY HA3 H 7 3.948 4.113 -0.165 1
1 4 . 10 1 1 A 7 7 GLY C C 7 173.949 173.831 0.118 1
1 5 . 10 1 1 A 7 7 GLY CA C 7 45.325 45.100 0.225 1
1 6 . 10 1 1 A 8 8 LYS H H 8 8.116 8.680 -0.564 1
1 7 . 10 1 1 A 8 8 LYS HA H 8 4.308 3.901 0.407 1
1 14 . 10 1 1 A 8 8 LYS C C 8 176.504 175.345 1.159 1
1 15 . 10 1 1 A 8 8 LYS CA C 8 56.113 57.218 -1.105 1
1 16 . 10 1 1 A 8 8 LYS CB C 8 33.151 31.013 2.138 1
1 20 . 10 1 1 A 8 8 LYS N N 8 120.734 121.142 -0.408 1
1 21 . 10 1 1 A 9 9 ARG H H 9 8.362 7.782 0.580 1
1 22 . 10 1 1 A 9 9 ARG HA H 9 4.590 4.537 0.053 1
1 27 . 10 1 1 A 9 9 ARG C C 9 176.479 174.056 2.423 1
1 28 . 10 1 1 A 9 9 ARG CA C 9 53.962 54.411 -0.449 1
1 29 . 10 1 1 A 9 9 ARG CB C 9 30.103 29.122 0.981 1
1 32 . 10 1 1 A 9 9 ARG N N 9 123.609 119.398 4.211 1
1 33 . 10 1 1 A 10 10 PRO HA H 10 4.419 4.478 -0.059 1
1 39 . 10 1 1 A 10 10 PRO C C 10 176.796 177.106 -0.310 1
1 40 . 10 1 1 A 10 10 PRO CA C 10 62.987 62.892 0.095 1
1 41 . 10 1 1 A 10 10 PRO CB C 10 32.080 32.149 -0.069 1
1 44 . 10 1 1 A 11 11 ARG H H 11 8.517 8.247 0.270 1
1 45 . 10 1 1 A 11 11 ARG C C 11 176.551 176.277 0.274 1
1 46 . 10 1 1 A 11 11 ARG CA C 11 56.077 56.770 -0.693 1
1 47 . 10 1 1 A 11 11 ARG CB C 11 30.762 30.890 -0.128 1
1 48 . 10 1 1 A 11 11 ARG N N 11 121.931 122.888 -0.957 1
1 49 . 10 1 1 A 12 12 THR HA H 12 4.260 4.640 -0.380 1
1 54 . 10 1 1 A 12 12 THR C C 12 173.904 173.049 0.855 1
1 55 . 10 1 1 A 12 12 THR CA C 12 62.218 61.803 0.415 1
1 56 . 10 1 1 A 12 12 THR CB C 12 69.843 69.375 0.468 1
1 58 . 10 1 1 A 13 13 ARG H H 13 8.434 8.772 -0.338 1
1 59 . 10 1 1 A 13 13 ARG HA H 13 4.381 4.670 -0.289 1
1 65 . 10 1 1 A 13 13 ARG C C 13 175.336 176.453 -1.117 1
1 66 . 10 1 1 A 13 13 ARG CA C 13 55.972 55.987 -0.015 1
1 67 . 10 1 1 A 13 13 ARG CB C 13 31.059 31.413 -0.354 1
1 70 . 10 1 1 A 13 13 ARG N N 13 125.368 127.436 -2.068 1
1 71 . 10 1 1 A 14 14 ILE H H 14 8.179 8.426 -0.247 1
1 72 . 10 1 1 A 14 14 ILE HA H 14 4.268 4.112 0.156 1
1 82 . 10 1 1 A 14 14 ILE C C 14 176.844 176.640 0.204 1
1 83 . 10 1 1 A 14 14 ILE CA C 14 61.647 61.953 -0.306 1
1 84 . 10 1 1 A 14 14 ILE CB C 14 39.248 38.032 1.216 1
1 88 . 10 1 1 A 14 14 ILE N N 14 123.951 125.637 -1.686 1
1 89 . 10 1 1 A 15 15 THR H H 15 8.922 8.122 0.800 1
1 90 . 10 1 1 A 15 15 THR HA H 15 4.386 4.803 -0.417 1
1 95 . 10 1 1 A 15 15 THR C C 15 175.263 175.606 -0.343 1
1 96 . 10 1 1 A 15 15 THR CA C 15 61.402 59.887 1.515 1
1 97 . 10 1 1 A 15 15 THR CB C 15 70.796 70.860 -0.064 1
1 99 . 10 1 1 A 15 15 THR N N 15 119.222 116.522 2.700 1
1 100 . 10 1 1 A 16 16 ASP H H 16 8.951 8.904 0.047 1
1 101 . 10 1 1 A 16 16 ASP HA H 16 4.353 4.309 0.044 1
1 104 . 10 1 1 A 16 16 ASP C C 16 178.888 178.042 0.846 1
1 105 . 10 1 1 A 16 16 ASP CA C 16 58.016 57.202 0.814 1
1 106 . 10 1 1 A 16 16 ASP CB C 16 40.154 40.683 -0.529 1
1 107 . 10 1 1 A 16 16 ASP N N 16 120.852 121.346 -0.494 1
1 108 . 10 1 1 A 17 17 ASP H H 17 8.387 8.246 0.141 1
1 109 . 10 1 1 A 17 17 ASP HA H 17 4.361 4.317 0.044 1
1 112 . 10 1 1 A 17 17 ASP C C 17 178.815 177.683 1.132 1
1 113 . 10 1 1 A 17 17 ASP CA C 17 57.311 56.789 0.522 1
1 114 . 10 1 1 A 17 17 ASP CB C 17 40.649 40.364 0.285 1
1 115 . 10 1 1 A 17 17 ASP N N 17 118.488 119.845 -1.357 1
1 116 . 10 1 1 A 18 18 GLN H H 18 7.561 7.380 0.181 1
1 117 . 10 1 1 A 18 18 GLN HA H 18 3.844 4.286 -0.442 1
1 124 . 10 1 1 A 18 18 GLN C C 18 177.988 178.001 -0.013 1
1 125 . 10 1 1 A 18 18 GLN CA C 18 58.933 57.047 1.886 1
1 126 . 10 1 1 A 18 18 GLN CB C 18 28.702 29.427 -0.725 1
1 128 . 10 1 1 A 18 18 GLN N N 18 119.852 117.795 2.057 1
1 130 . 10 1 1 A 19 19 LEU H H 19 8.538 8.084 0.454 1
1 131 . 10 1 1 A 19 19 LEU HA H 19 3.549 3.686 -0.137 1
1 141 . 10 1 1 A 19 19 LEU C C 19 178.202 178.203 -0.001 1
1 142 . 10 1 1 A 19 19 LEU CA C 19 57.593 57.825 -0.232 1
1 143 . 10 1 1 A 19 19 LEU CB C 19 41.720 41.507 0.213 1
1 147 . 10 1 1 A 19 19 LEU N N 19 120.203 121.828 -1.625 1
1 148 . 10 1 1 A 20 20 ARG H H 20 7.644 8.345 -0.701 1
1 149 . 10 1 1 A 20 20 ARG HA H 20 3.893 4.105 -0.212 1
1 155 . 10 1 1 A 20 20 ARG C C 20 179.148 178.413 0.735 1
1 156 . 10 1 1 A 20 20 ARG CA C 20 59.744 58.527 1.217 1
1 157 . 10 1 1 A 20 20 ARG CB C 20 29.855 30.007 -0.152 1
1 160 . 10 1 1 A 20 20 ARG N N 20 117.442 117.467 -0.025 1
1 161 . 10 1 1 A 21 21 VAL H H 21 7.074 7.754 -0.680 1
1 162 . 10 1 1 A 21 21 VAL HA H 21 3.726 3.710 0.016 1
1 170 . 10 1 1 A 21 21 VAL C C 21 177.643 178.332 -0.689 1
1 171 . 10 1 1 A 21 21 VAL CA C 21 66.098 66.228 -0.130 1
1 172 . 10 1 1 A 21 21 VAL CB C 21 31.750 31.584 0.166 1
1 175 . 10 1 1 A 21 21 VAL N N 21 118.796 120.819 -2.023 1
1 176 . 10 1 1 A 22 22 LEU H H 22 7.620 7.780 -0.160 1
1 177 . 10 1 1 A 22 22 LEU HA H 22 3.947 3.959 -0.012 1
1 187 . 10 1 1 A 22 22 LEU C C 22 178.979 178.821 0.158 1
1 188 . 10 1 1 A 22 22 LEU CA C 22 58.369 57.446 0.923 1
1 189 . 10 1 1 A 22 22 LEU CB C 22 38.869 40.337 -1.468 1
1 193 . 10 1 1 A 22 22 LEU N N 22 119.184 119.793 -0.609 1
1 194 . 10 1 1 A 23 23 ARG H H 23 8.451 8.172 0.279 1
1 195 . 10 1 1 A 23 23 ARG HA H 23 4.054 4.300 -0.246 1
1 202 . 10 1 1 A 23 23 ARG C C 23 178.177 179.656 -1.479 1
1 203 . 10 1 1 A 23 23 ARG CA C 23 59.157 59.809 -0.652 1
1 204 . 10 1 1 A 23 23 ARG CB C 23 29.772 30.118 -0.346 1
1 207 . 10 1 1 A 23 23 ARG N N 23 116.571 119.464 -2.893 1
1 208 . 10 1 1 A 24 24 GLN H H 24 7.749 8.361 -0.612 1
1 209 . 10 1 1 A 24 24 GLN HA H 24 4.129 4.050 0.079 1
1 216 . 10 1 1 A 24 24 GLN C C 24 179.100 178.649 0.451 1
1 217 . 10 1 1 A 24 24 GLN CA C 24 58.827 59.126 -0.299 1
1 218 . 10 1 1 A 24 24 GLN CB C 24 28.290 28.278 0.012 1
1 220 . 10 1 1 A 24 24 GLN N N 24 118.256 118.928 -0.672 1
1 222 . 10 1 1 A 25 25 TYR H H 25 7.902 8.300 -0.398 1
1 223 . 10 1 1 A 25 25 TYR HA H 25 4.295 4.366 -0.071 1
1 230 . 10 1 1 A 25 25 TYR C C 25 178.080 178.350 -0.270 1
1 231 . 10 1 1 A 25 25 TYR CA C 25 61.506 60.741 0.765 1
1 232 . 10 1 1 A 25 25 TYR CB C 25 39.001 38.325 0.676 1
1 237 . 10 1 1 A 25 25 TYR N N 25 117.374 120.441 -3.067 1
1 238 . 10 1 1 A 26 26 PHE H H 26 8.935 8.584 0.351 1
1 239 . 10 1 1 A 26 26 PHE HA H 26 4.366 4.608 -0.242 1
1 247 . 10 1 1 A 26 26 PHE C C 26 175.847 176.754 -0.907 1
1 248 . 10 1 1 A 26 26 PHE CA C 26 61.452 62.328 -0.876 1
1 249 . 10 1 1 A 26 26 PHE CB C 26 39.538 39.291 0.247 1
1 255 . 10 1 1 A 27 27 ASP H H 27 8.138 8.152 -0.014 1
1 256 . 10 1 1 A 27 27 ASP HA H 27 4.407 4.252 0.155 1
1 259 . 10 1 1 A 27 27 ASP C C 27 177.546 178.443 -0.897 1
1 260 . 10 1 1 A 27 27 ASP CA C 27 56.007 57.234 -1.227 1
1 261 . 10 1 1 A 27 27 ASP CB C 27 40.813 41.539 -0.726 1
1 262 . 10 1 1 A 27 27 ASP N N 27 116.760 118.664 -1.904 1
1 263 . 10 1 1 A 28 28 ILE H H 28 7.463 7.130 0.333 1
1 264 . 10 1 1 A 28 28 ILE HA H 28 3.945 3.846 0.099 1
1 274 . 10 1 1 A 28 28 ILE C C 28 176.260 176.445 -0.185 1
1 275 . 10 1 1 A 28 28 ILE CA C 28 62.881 64.062 -1.181 1
1 276 . 10 1 1 A 28 28 ILE CB C 28 38.836 38.165 0.671 1
1 280 . 10 1 1 A 28 28 ILE N N 28 119.169 118.579 0.590 1
1 281 . 10 1 1 A 29 29 ASN H H 29 8.214 7.934 0.280 1
1 282 . 10 1 1 A 29 29 ASN HA H 29 4.620 4.874 -0.254 1
1 287 . 10 1 1 A 29 29 ASN C C 29 173.633 175.516 -1.883 1
1 288 . 10 1 1 A 29 29 ASN CA C 29 53.081 52.928 0.153 1
1 289 . 10 1 1 A 29 29 ASN CB C 29 39.330 40.929 -1.599 1
1 290 . 10 1 1 A 29 29 ASN N N 29 117.989 116.968 1.021 1
1 292 . 10 1 1 A 30 30 ASN H H 30 8.383 8.661 -0.278 1
1 293 . 10 1 1 A 30 30 ASN HA H 30 4.231 4.047 0.184 1
1 298 . 10 1 1 A 30 30 ASN C C 30 174.338 175.118 -0.780 1
1 299 . 10 1 1 A 30 30 ASN CA C 30 53.610 56.691 -3.081 1
1 300 . 10 1 1 A 30 30 ASN CB C 30 38.836 38.483 0.353 1
1 301 . 10 1 1 A 30 30 ASN N N 30 120.522 122.864 -2.342 1
1 303 . 10 1 1 A 31 31 SER H H 31 7.941 7.963 -0.022 1
1 304 . 10 1 1 A 31 31 SER HA H 31 4.795 4.894 -0.099 1
1 307 . 10 1 1 A 31 31 SER C C 31 174.387 172.401 1.986 1
1 308 . 10 1 1 A 31 31 SER CA C 31 54.843 54.783 0.060 1
1 309 . 10 1 1 A 31 31 SER CB C 31 63.553 65.331 -1.778 1
1 310 . 10 1 1 A 31 31 SER N N 31 112.907 112.572 0.335 1
1 311 . 10 1 1 A 32 32 PRO HA H 32 4.437 4.812 -0.375 1
1 318 . 10 1 1 A 32 32 PRO C C 32 176.844 176.143 0.701 1
1 319 . 10 1 1 A 32 32 PRO CA C 32 62.180 62.169 0.011 1
1 320 . 10 1 1 A 32 32 PRO CB C 32 32.380 32.156 0.224 1
1 323 . 10 1 1 A 33 33 SER H H 33 8.658 8.601 0.057 1
1 324 . 10 1 1 A 33 33 SER HA H 33 4.462 4.845 -0.383 1
1 327 . 10 1 1 A 33 33 SER C C 33 175.068 175.729 -0.661 1
1 328 . 10 1 1 A 33 33 SER CA C 33 56.539 56.298 0.241 1
1 329 . 10 1 1 A 33 33 SER CB C 33 65.613 66.313 -0.700 1
1 330 . 10 1 1 A 33 33 SER N N 33 117.201 114.485 2.716 1
1 331 . 10 1 1 A 34 34 GLU H H 34 8.983 9.058 -0.075 1
1 332 . 10 1 1 A 34 34 GLU HA H 34 3.885 3.933 -0.048 1
1 337 . 10 1 1 A 34 34 GLU C C 34 179.464 178.399 1.065 1
1 338 . 10 1 1 A 34 34 GLU CA C 34 59.990 59.594 0.396 1
1 339 . 10 1 1 A 34 34 GLU CB C 34 29.031 29.143 -0.112 1
1 341 . 10 1 1 A 34 34 GLU N N 34 120.557 121.367 -0.810 1
1 342 . 10 1 1 A 35 35 GLU H H 35 8.672 7.952 0.720 1
1 343 . 10 1 1 A 35 35 GLU HA H 35 3.989 4.132 -0.143 1
1 348 . 10 1 1 A 35 35 GLU C C 35 179.440 178.979 0.461 1
1 349 . 10 1 1 A 35 35 GLU CA C 35 60.096 59.086 1.010 1
1 350 . 10 1 1 A 35 35 GLU CB C 35 28.949 29.638 -0.689 1
1 352 . 10 1 1 A 35 35 GLU N N 35 119.112 120.158 -1.046 1
1 353 . 10 1 1 A 36 36 GLN H H 36 7.705 8.146 -0.441 1
1 354 . 10 1 1 A 36 36 GLN HA H 36 4.012 4.166 -0.154 1
1 360 . 10 1 1 A 36 36 GLN C C 36 178.372 178.397 -0.025 1
1 361 . 10 1 1 A 36 36 GLN CA C 36 58.968 58.417 0.551 1
1 362 . 10 1 1 A 36 36 GLN CB C 36 28.290 28.344 -0.054 1
1 364 . 10 1 1 A 36 36 GLN N N 36 120.638 118.227 2.411 1
1 366 . 10 1 1 A 37 37 ILE H H 37 8.308 8.514 -0.206 1
1 367 . 10 1 1 A 37 37 ILE HA H 37 3.474 3.713 -0.239 1
1 377 . 10 1 1 A 37 37 ILE C C 37 177.400 178.507 -1.107 1
1 378 . 10 1 1 A 37 37 ILE CA C 37 65.173 64.572 0.601 1
1 379 . 10 1 1 A 37 37 ILE CB C 37 36.447 37.532 -1.085 1
1 383 . 10 1 1 A 37 37 ILE N N 37 121.515 120.721 0.794 1
1 384 . 10 1 1 A 38 38 LYS H H 38 7.808 7.768 0.040 1
1 385 . 10 1 1 A 38 38 LYS HA H 38 3.803 4.049 -0.246 1
1 393 . 10 1 1 A 38 38 LYS C C 38 178.153 178.604 -0.451 1
1 394 . 10 1 1 A 38 38 LYS CA C 38 60.096 58.948 1.148 1
1 395 . 10 1 1 A 38 38 LYS CB C 38 31.833 32.598 -0.765 1
1 399 . 10 1 1 A 38 38 LYS N N 38 120.672 122.649 -1.977 1
1 400 . 10 1 1 A 39 39 GLU H H 39 7.719 8.185 -0.466 1
1 401 . 10 1 1 A 39 39 GLU HA H 39 4.089 4.086 0.003 1
1 406 . 10 1 1 A 39 39 GLU C C 39 179.278 178.811 0.467 1
1 407 . 10 1 1 A 39 39 GLU CA C 39 59.522 59.088 0.434 1
1 408 . 10 1 1 A 39 39 GLU CB C 39 29.773 29.410 0.363 1
1 410 . 10 1 1 A 39 39 GLU N N 39 119.510 117.465 2.045 1
1 411 . 10 1 1 A 40 40 MET H H 40 8.167 8.309 -0.142 1
1 412 . 10 1 1 A 40 40 MET HA H 40 3.599 4.077 -0.478 1
1 420 . 10 1 1 A 40 40 MET C C 40 179.813 178.424 1.389 1
1 421 . 10 1 1 A 40 40 MET CA C 40 59.533 58.622 0.911 1
1 422 . 10 1 1 A 40 40 MET CB C 40 35.410 32.848 2.562 1
1 425 . 10 1 1 A 40 40 MET N N 40 117.312 119.104 -1.792 1
1 426 . 10 1 1 A 41 41 ALA H H 41 8.689 8.152 0.537 1
1 427 . 10 1 1 A 41 41 ALA HA H 41 4.102 4.318 -0.216 1
1 431 . 10 1 1 A 41 41 ALA C C 41 179.610 179.057 0.553 1
1 432 . 10 1 1 A 41 41 ALA CA C 41 55.866 55.057 0.809 1
1 433 . 10 1 1 A 41 41 ALA CB C 41 18.609 18.570 0.039 1
1 434 . 10 1 1 A 41 41 ALA N N 41 128.620 121.406 7.214 1
1 435 . 10 1 1 A 42 42 ASP H H 42 8.324 7.313 1.011 1
1 436 . 10 1 1 A 42 42 ASP HA H 42 4.306 4.510 -0.204 1
1 439 . 10 1 1 A 42 42 ASP C C 42 179.003 178.424 0.579 1
1 440 . 10 1 1 A 42 42 ASP CA C 42 57.241 56.575 0.666 1
1 441 . 10 1 1 A 42 42 ASP CB C 42 40.319 41.247 -0.928 1
1 442 . 10 1 1 A 42 42 ASP N N 42 120.159 118.109 2.050 1
1 443 . 10 1 1 A 43 43 LYS H H 43 8.036 7.885 0.151 1
1 444 . 10 1 1 A 43 43 LYS HA H 43 4.155 3.984 0.171 1
1 452 . 10 1 1 A 43 43 LYS C C 43 178.105 178.516 -0.411 1
1 453 . 10 1 1 A 43 43 LYS CA C 43 58.580 59.423 -0.843 1
1 454 . 10 1 1 A 43 43 LYS CB C 43 33.893 32.316 1.577 1
1 458 . 10 1 1 A 43 43 LYS N N 43 116.586 119.184 -2.598 1
1 459 . 10 1 1 A 44 44 SER H H 44 8.314 8.250 0.064 1
1 460 . 10 1 1 A 44 44 SER HA H 44 4.486 4.531 -0.045 1
1 463 . 10 1 1 A 44 44 SER C C 44 175.458 175.320 0.138 1
1 464 . 10 1 1 A 44 44 SER CA C 44 59.955 58.813 1.142 1
1 465 . 10 1 1 A 44 44 SER CB C 44 66.025 64.689 1.336 1
1 466 . 10 1 1 A 44 44 SER N N 44 111.140 110.856 0.284 1
1 467 . 10 1 1 A 45 45 GLY H H 45 8.249 7.850 0.399 1
1 468 . 10 1 1 A 45 45 GLY HA2 H 45 3.872 4.028 -0.156 1
1 469 . 10 1 1 A 45 45 GLY HA3 H 45 4.233 4.030 0.203 1
1 470 . 10 1 1 A 45 45 GLY C C 45 174.317 174.272 0.045 1
1 471 . 10 1 1 A 45 45 GLY CA C 45 45.889 44.864 1.025 1
1 472 . 10 1 1 A 45 45 GLY N N 45 112.770 110.680 2.090 1
1 473 . 10 1 1 A 46 46 LEU H H 46 7.800 7.620 0.180 1
1 474 . 10 1 1 A 46 46 LEU HA H 46 4.685 4.537 0.148 1
1 484 . 10 1 1 A 46 46 LEU C C 46 174.366 174.638 -0.272 1
1 485 . 10 1 1 A 46 46 LEU CA C 46 52.235 52.562 -0.327 1
1 486 . 10 1 1 A 46 46 LEU CB C 46 43.285 41.468 1.817 1
1 490 . 10 1 1 A 46 46 LEU N N 46 121.722 122.248 -0.526 1
1 491 . 10 1 1 A 47 47 PRO HA H 47 4.542 4.569 -0.027 1
1 497 . 10 1 1 A 47 47 PRO C C 47 178.542 176.575 1.967 1
1 498 . 10 1 1 A 47 47 PRO CA C 47 62.000 62.335 -0.335 1
1 499 . 10 1 1 A 47 47 PRO CB C 47 32.731 33.456 -0.725 1
1 502 . 10 1 1 A 48 48 GLN H H 48 9.124 8.655 0.469 1
1 503 . 10 1 1 A 48 48 GLN HA H 48 3.629 4.075 -0.446 1
1 510 . 10 1 1 A 48 48 GLN C C 48 178.080 177.958 0.122 1
1 511 . 10 1 1 A 48 48 GLN CA C 48 60.872 58.111 2.761 1
1 512 . 10 1 1 A 48 48 GLN CB C 48 28.455 28.437 0.018 1
1 514 . 10 1 1 A 48 48 GLN N N 48 123.862 120.184 3.678 1
1 516 . 10 1 1 A 49 49 LYS H H 49 8.912 8.012 0.900 1
1 517 . 10 1 1 A 49 49 LYS HA H 49 3.969 4.019 -0.050 1
1 524 . 10 1 1 A 49 49 LYS C C 49 178.954 178.974 -0.020 1
1 525 . 10 1 1 A 49 49 LYS CA C 49 59.955 59.289 0.666 1
1 526 . 10 1 1 A 49 49 LYS CB C 49 32.327 32.051 0.276 1
1 530 . 10 1 1 A 49 49 LYS N N 49 116.406 118.906 -2.500 1
1 531 . 10 1 1 A 50 50 VAL H H 50 6.874 7.905 -1.031 1
1 532 . 10 1 1 A 50 50 VAL HA H 50 3.835 3.733 0.102 1
1 540 . 10 1 1 A 50 50 VAL C C 50 178.299 178.281 0.018 1
1 541 . 10 1 1 A 50 50 VAL CA C 50 65.560 66.109 -0.549 1
1 542 . 10 1 1 A 50 50 VAL CB C 50 32.080 31.597 0.483 1
1 545 . 10 1 1 A 50 50 VAL N N 50 119.065 120.203 -1.138 1
1 546 . 10 1 1 A 51 51 ILE H H 51 7.503 7.898 -0.395 1
1 547 . 10 1 1 A 51 51 ILE HA H 51 3.672 3.620 0.052 1
1 557 . 10 1 1 A 51 51 ILE C C 51 178.007 178.288 -0.281 1
1 558 . 10 1 1 A 51 51 ILE CA C 51 66.019 65.627 0.392 1
1 559 . 10 1 1 A 51 51 ILE CB C 51 38.081 37.737 0.344 1
1 563 . 10 1 1 A 51 51 ILE N N 51 121.254 120.821 0.433 1
1 564 . 10 1 1 A 52 52 LYS H H 52 8.596 7.888 0.708 1
1 565 . 10 1 1 A 52 52 LYS HA H 52 3.984 4.057 -0.073 1
1 572 . 10 1 1 A 52 52 LYS C C 52 179.302 179.600 -0.298 1
1 573 . 10 1 1 A 52 52 LYS CA C 52 60.978 59.511 1.467 1
1 574 . 10 1 1 A 52 52 LYS CB C 52 32.574 32.265 0.309 1
1 578 . 10 1 1 A 52 52 LYS N N 52 118.531 119.427 -0.896 1
1 579 . 10 1 1 A 53 53 HIS H H 53 7.952 8.059 -0.107 1
1 580 . 10 1 1 A 53 53 HIS HA H 53 4.324 4.286 0.038 1
1 585 . 10 1 1 A 53 53 HIS C C 53 177.085 177.948 -0.863 1
1 586 . 10 1 1 A 53 53 HIS CA C 53 60.026 59.127 0.899 1
1 587 . 10 1 1 A 53 53 HIS CB C 53 30.867 30.295 0.572 1
1 590 . 10 1 1 A 53 53 HIS N N 53 118.728 118.260 0.468 1
1 591 . 10 1 1 A 54 54 TRP H H 54 8.614 8.363 0.251 1
1 592 . 10 1 1 A 54 54 TRP HA H 54 4.048 4.374 -0.326 1
1 601 . 10 1 1 A 54 54 TRP C C 54 180.144 178.304 1.840 1
1 602 . 10 1 1 A 54 54 TRP CA C 54 62.916 61.060 1.856 1
1 603 . 10 1 1 A 54 54 TRP CB C 54 28.766 29.577 -0.811 1
1 609 . 10 1 1 A 54 54 TRP N N 54 121.845 121.353 0.492 1
1 611 . 10 1 1 A 55 55 PHE H H 55 9.035 8.546 0.489 1
1 612 . 10 1 1 A 55 55 PHE HA H 55 3.786 3.843 -0.057 1
1 620 . 10 1 1 A 55 55 PHE C C 55 178.129 177.895 0.234 1
1 621 . 10 1 1 A 55 55 PHE CA C 55 63.617 62.174 1.443 1
1 622 . 10 1 1 A 55 55 PHE CB C 55 39.260 38.604 0.656 1
1 628 . 10 1 1 A 55 55 PHE N N 55 120.180 117.773 2.407 1
1 629 . 10 1 1 A 56 56 ARG H H 56 7.962 8.385 -0.423 1
1 630 . 10 1 1 A 56 56 ARG HA H 56 4.095 4.002 0.093 1
1 636 . 10 1 1 A 56 56 ARG C C 56 178.444 178.244 0.200 1
1 637 . 10 1 1 A 56 56 ARG CA C 56 59.356 59.640 -0.284 1
1 638 . 10 1 1 A 56 56 ARG CB C 56 30.087 29.993 0.094 1
1 641 . 10 1 1 A 56 56 ARG N N 56 118.370 120.892 -2.522 1
1 642 . 10 1 1 A 57 57 ASN H H 57 8.194 8.583 -0.389 1
1 643 . 10 1 1 A 57 57 ASN HA H 57 4.401 4.397 0.004 1
1 648 . 10 1 1 A 57 57 ASN C C 57 176.866 178.007 -1.141 1
1 649 . 10 1 1 A 57 57 ASN CA C 57 55.497 56.479 -0.982 1
1 650 . 10 1 1 A 57 57 ASN CB C 57 38.640 39.063 -0.423 1
1 651 . 10 1 1 A 57 57 ASN N N 57 117.190 117.914 -0.724 1
1 653 . 10 1 1 A 58 58 THR H H 58 7.999 7.818 0.181 1
1 654 . 10 1 1 A 58 58 THR HA H 58 3.426 3.744 -0.318 1
1 659 . 10 1 1 A 58 58 THR C C 58 175.361 176.279 -0.918 1
1 660 . 10 1 1 A 58 58 THR CA C 58 65.801 66.861 -1.060 1
1 661 . 10 1 1 A 58 58 THR CB C 58 68.064 67.580 0.484 1
1 663 . 10 1 1 A 58 58 THR N N 58 117.859 115.450 2.409 1
1 664 . 10 1 1 A 59 59 LEU H H 59 7.950 8.191 -0.241 1
1 665 . 10 1 1 A 59 59 LEU HA H 59 4.127 4.156 -0.029 1
1 674 . 10 1 1 A 59 59 LEU C C 59 177.886 178.647 -0.761 1
1 675 . 10 1 1 A 59 59 LEU CA C 59 57.628 58.587 -0.959 1
1 676 . 10 1 1 A 59 59 LEU CB C 59 42.296 42.212 0.084 1
1 680 . 10 1 1 A 59 59 LEU N N 59 122.280 121.619 0.661 1
1 681 . 10 1 1 A 60 60 PHE H H 60 7.797 8.867 -1.070 1
1 682 . 10 1 1 A 60 60 PHE HA H 60 4.309 4.033 0.276 1
1 690 . 10 1 1 A 60 60 PHE C C 60 177.085 177.017 0.068 1
1 691 . 10 1 1 A 60 60 PHE CA C 60 59.920 61.946 -2.026 1
1 692 . 10 1 1 A 60 60 PHE CB C 60 38.918 39.331 -0.413 1
1 698 . 10 1 1 A 60 60 PHE N N 60 118.008 119.752 -1.744 1
1 699 . 10 1 1 A 61 61 LYS H H 61 7.839 7.745 0.094 1
1 700 . 10 1 1 A 61 61 LYS HA H 61 4.007 3.978 0.029 1
1 707 . 10 1 1 A 61 61 LYS C C 61 178.032 179.888 -1.856 1
1 708 . 10 1 1 A 61 61 LYS CA C 61 58.016 59.459 -1.443 1
1 709 . 10 1 1 A 61 61 LYS CB C 61 32.657 32.061 0.596 1
1 713 . 10 1 1 A 61 61 LYS N N 61 119.447 117.470 1.977 1
1 714 . 10 1 1 A 62 62 GLU H H 62 8.139 8.535 -0.396 1
1 715 . 10 1 1 A 62 62 GLU HA H 62 4.146 4.040 0.106 1
1 720 . 10 1 1 A 62 62 GLU C C 62 177.595 179.312 -1.717 1
1 721 . 10 1 1 A 62 62 GLU CA C 62 57.699 59.166 -1.467 1
1 722 . 10 1 1 A 62 62 GLU CB C 62 29.608 29.485 0.123 1
1 724 . 10 1 1 A 62 62 GLU N N 62 119.302 120.358 -1.056 1
1 725 . 10 1 1 A 63 63 ARG H H 63 8.015 7.694 0.321 1
1 726 . 10 1 1 A 63 63 ARG HA H 63 4.258 4.065 0.193 1
1 732 . 10 1 1 A 63 63 ARG C C 63 176.769 178.871 -2.102 1
1 733 . 10 1 1 A 63 63 ARG CA C 63 56.677 59.712 -3.035 1
1 734 . 10 1 1 A 63 63 ARG CB C 63 30.514 30.006 0.508 1
1 737 . 10 1 1 A 63 63 ARG N N 63 119.598 119.632 -0.034 1
1 738 . 10 1 1 A 64 64 GLN H H 64 8.058 7.720 0.338 1
1 739 . 10 1 1 A 64 64 GLN HA H 64 4.242 4.140 0.102 1
1 745 . 10 1 1 A 64 64 GLN C C 64 176.114 176.133 -0.019 1
1 746 . 10 1 1 A 64 64 GLN CA C 64 56.148 58.651 -2.503 1
1 747 . 10 1 1 A 64 64 GLN CB C 64 29.258 28.832 0.426 1
1 749 . 10 1 1 A 64 64 GLN N N 64 120.027 117.299 2.728 1
1 751 . 10 1 1 A 65 65 SER H H 65 8.172 8.394 -0.222 1
1 752 . 10 1 1 A 65 65 SER HA H 65 4.457 4.154 0.303 1
1 755 . 10 1 1 A 65 65 SER C C 65 174.487 173.518 0.969 1
1 756 . 10 1 1 A 65 65 SER CA C 65 58.404 59.496 -1.092 1
1 757 . 10 1 1 A 65 65 SER CB C 65 63.965 61.109 2.856 1
1 758 . 10 1 1 A 65 65 SER N N 65 116.070 111.557 4.513 1
1 759 . 10 1 1 A 66 66 GLY H H 66 8.170 8.149 0.021 1
1 760 . 10 1 1 A 66 66 GLY HA2 H 66 4.141 4.105 0.036 1
1 761 . 10 1 1 A 66 66 GLY HA3 H 66 4.082 4.109 -0.027 1
1 762 . 10 1 1 A 66 66 GLY C C 66 171.768 173.216 -1.448 1
1 763 . 10 1 1 A 66 66 GLY CA C 66 44.620 44.043 0.577 1
1 764 . 10 1 1 A 66 66 GLY N N 66 110.579 108.060 2.519 1
1 765 . 10 1 1 A 67 67 PRO HA H 67 4.453 4.692 -0.239 1
1 770 . 10 1 1 A 67 67 PRO C C 67 177.400 176.059 1.341 1
1 771 . 10 1 1 A 67 67 PRO CA C 67 63.198 62.446 0.752 1
1 772 . 10 1 1 A 67 67 PRO CB C 67 32.171 30.443 1.728 1
1 775 . 10 1 1 A 68 68 SER H H 68 8.525 8.246 0.279 1
1 776 . 10 1 1 A 68 68 SER HA H 68 4.490 4.555 -0.065 1
1 779 . 10 1 1 A 68 68 SER C C 68 174.657 173.328 1.329 1
1 780 . 10 1 1 A 68 68 SER CA C 68 58.589 57.548 1.041 1
1 781 . 10 1 1 A 68 68 SER CB C 68 63.800 61.579 2.221 1
1 782 . 10 1 1 A 68 68 SER N N 68 116.415 119.470 -3.055 1
1 783 . 10 1 1 A 69 69 SER H H 69 8.316 8.255 0.061 1
1 784 . 10 1 1 A 69 69 SER HA H 69 4.467 5.328 -0.861 1
1 787 . 10 1 1 A 69 69 SER C C 69 173.953 173.253 0.700 1
1 788 . 10 1 1 A 69 69 SER CA C 69 58.369 56.442 1.927 1
1 789 . 10 1 1 A 69 69 SER CB C 69 64.047 65.816 -1.769 1
1 790 . 10 1 1 A 69 69 SER N N 69 117.832 121.557 -3.725 1
1 1 . 11 1 1 A 7 7 GLY H H 7 8.499 7.826 0.673 1
1 2 . 11 1 1 A 7 7 GLY HA2 H 7 3.948 4.044 -0.096 1
1 3 . 11 1 1 A 7 7 GLY HA3 H 7 3.948 4.044 -0.096 1
1 4 . 11 1 1 A 7 7 GLY C C 7 173.949 174.726 -0.777 1
1 5 . 11 1 1 A 7 7 GLY CA C 7 45.325 44.771 0.554 1
1 6 . 11 1 1 A 8 8 LYS H H 8 8.116 8.630 -0.514 1
1 7 . 11 1 1 A 8 8 LYS HA H 8 4.308 4.428 -0.120 1
1 14 . 11 1 1 A 8 8 LYS C C 8 176.504 176.780 -0.276 1
1 15 . 11 1 1 A 8 8 LYS CA C 8 56.113 57.631 -1.518 1
1 16 . 11 1 1 A 8 8 LYS CB C 8 33.151 32.980 0.171 1
1 20 . 11 1 1 A 8 8 LYS N N 8 120.734 119.389 1.345 1
1 21 . 11 1 1 A 9 9 ARG H H 9 8.362 7.744 0.618 1
1 22 . 11 1 1 A 9 9 ARG HA H 9 4.590 4.582 0.008 1
1 27 . 11 1 1 A 9 9 ARG C C 9 176.479 174.030 2.449 1
1 28 . 11 1 1 A 9 9 ARG CA C 9 53.962 53.636 0.326 1
1 29 . 11 1 1 A 9 9 ARG CB C 9 30.103 29.848 0.255 1
1 32 . 11 1 1 A 9 9 ARG N N 9 123.609 118.420 5.189 1
1 33 . 11 1 1 A 10 10 PRO HA H 10 4.419 4.653 -0.234 1
1 39 . 11 1 1 A 10 10 PRO C C 10 176.796 176.424 0.372 1
1 40 . 11 1 1 A 10 10 PRO CA C 10 62.987 62.972 0.015 1
1 41 . 11 1 1 A 10 10 PRO CB C 10 32.080 31.828 0.252 1
1 44 . 11 1 1 A 11 11 ARG H H 11 8.517 8.521 -0.004 1
1 45 . 11 1 1 A 11 11 ARG C C 11 176.551 175.754 0.797 1
1 46 . 11 1 1 A 11 11 ARG CA C 11 56.077 55.798 0.279 1
1 47 . 11 1 1 A 11 11 ARG CB C 11 30.762 30.833 -0.071 1
1 48 . 11 1 1 A 11 11 ARG N N 11 121.931 122.213 -0.282 1
1 49 . 11 1 1 A 12 12 THR HA H 12 4.260 4.707 -0.447 1
1 54 . 11 1 1 A 12 12 THR C C 12 173.904 173.733 0.171 1
1 55 . 11 1 1 A 12 12 THR CA C 12 62.218 62.015 0.203 1
1 56 . 11 1 1 A 12 12 THR CB C 12 69.843 69.562 0.281 1
1 58 . 11 1 1 A 13 13 ARG H H 13 8.434 8.444 -0.010 1
1 59 . 11 1 1 A 13 13 ARG HA H 13 4.381 4.694 -0.313 1
1 65 . 11 1 1 A 13 13 ARG C C 13 175.336 174.151 1.185 1
1 66 . 11 1 1 A 13 13 ARG CA C 13 55.972 55.413 0.559 1
1 67 . 11 1 1 A 13 13 ARG CB C 13 31.059 33.103 -2.044 1
1 70 . 11 1 1 A 13 13 ARG N N 13 125.368 128.171 -2.803 1
1 71 . 11 1 1 A 14 14 ILE H H 14 8.179 9.027 -0.848 1
1 72 . 11 1 1 A 14 14 ILE HA H 14 4.268 4.793 -0.525 1
1 82 . 11 1 1 A 14 14 ILE C C 14 176.844 175.355 1.489 1
1 83 . 11 1 1 A 14 14 ILE CA C 14 61.647 60.124 1.523 1
1 84 . 11 1 1 A 14 14 ILE CB C 14 39.248 40.371 -1.123 1
1 88 . 11 1 1 A 14 14 ILE N N 14 123.951 127.910 -3.959 1
1 89 . 11 1 1 A 15 15 THR H H 15 8.922 8.499 0.423 1
1 90 . 11 1 1 A 15 15 THR HA H 15 4.386 4.720 -0.334 1
1 95 . 11 1 1 A 15 15 THR C C 15 175.263 174.233 1.030 1
1 96 . 11 1 1 A 15 15 THR CA C 15 61.402 59.824 1.578 1
1 97 . 11 1 1 A 15 15 THR CB C 15 70.796 71.374 -0.578 1
1 99 . 11 1 1 A 15 15 THR N N 15 119.222 117.961 1.261 1
1 100 . 11 1 1 A 16 16 ASP H H 16 8.951 8.996 -0.045 1
1 101 . 11 1 1 A 16 16 ASP HA H 16 4.353 4.266 0.087 1
1 104 . 11 1 1 A 16 16 ASP C C 16 178.888 177.788 1.100 1
1 105 . 11 1 1 A 16 16 ASP CA C 16 58.016 57.165 0.851 1
1 106 . 11 1 1 A 16 16 ASP CB C 16 40.154 40.561 -0.407 1
1 107 . 11 1 1 A 16 16 ASP N N 16 120.852 126.389 -5.537 1
1 108 . 11 1 1 A 17 17 ASP H H 17 8.387 8.341 0.046 1
1 109 . 11 1 1 A 17 17 ASP HA H 17 4.361 4.431 -0.070 1
1 112 . 11 1 1 A 17 17 ASP C C 17 178.815 177.695 1.120 1
1 113 . 11 1 1 A 17 17 ASP CA C 17 57.311 56.519 0.792 1
1 114 . 11 1 1 A 17 17 ASP CB C 17 40.649 40.547 0.102 1
1 115 . 11 1 1 A 17 17 ASP N N 17 118.488 118.216 0.272 1
1 116 . 11 1 1 A 18 18 GLN H H 18 7.561 7.729 -0.168 1
1 117 . 11 1 1 A 18 18 GLN HA H 18 3.844 4.260 -0.416 1
1 124 . 11 1 1 A 18 18 GLN C C 18 177.988 178.142 -0.154 1
1 125 . 11 1 1 A 18 18 GLN CA C 18 58.933 57.647 1.286 1
1 126 . 11 1 1 A 18 18 GLN CB C 18 28.702 29.203 -0.501 1
1 128 . 11 1 1 A 18 18 GLN N N 18 119.852 119.174 0.678 1
1 130 . 11 1 1 A 19 19 LEU H H 19 8.538 8.050 0.488 1
1 131 . 11 1 1 A 19 19 LEU HA H 19 3.549 3.714 -0.165 1
1 141 . 11 1 1 A 19 19 LEU C C 19 178.202 178.173 0.029 1
1 142 . 11 1 1 A 19 19 LEU CA C 19 57.593 57.560 0.033 1
1 143 . 11 1 1 A 19 19 LEU CB C 19 41.720 41.461 0.259 1
1 147 . 11 1 1 A 19 19 LEU N N 19 120.203 121.689 -1.486 1
1 148 . 11 1 1 A 20 20 ARG H H 20 7.644 8.010 -0.366 1
1 149 . 11 1 1 A 20 20 ARG HA H 20 3.893 4.069 -0.176 1
1 155 . 11 1 1 A 20 20 ARG C C 20 179.148 178.468 0.680 1
1 156 . 11 1 1 A 20 20 ARG CA C 20 59.744 58.651 1.093 1
1 157 . 11 1 1 A 20 20 ARG CB C 20 29.855 30.150 -0.295 1
1 160 . 11 1 1 A 20 20 ARG N N 20 117.442 117.341 0.101 1
1 161 . 11 1 1 A 21 21 VAL H H 21 7.074 8.026 -0.952 1
1 162 . 11 1 1 A 21 21 VAL HA H 21 3.726 3.780 -0.054 1
1 170 . 11 1 1 A 21 21 VAL C C 21 177.643 178.464 -0.821 1
1 171 . 11 1 1 A 21 21 VAL CA C 21 66.098 66.126 -0.028 1
1 172 . 11 1 1 A 21 21 VAL CB C 21 31.750 31.709 0.041 1
1 175 . 11 1 1 A 21 21 VAL N N 21 118.796 120.477 -1.681 1
1 176 . 11 1 1 A 22 22 LEU H H 22 7.620 7.766 -0.146 1
1 177 . 11 1 1 A 22 22 LEU HA H 22 3.947 4.158 -0.211 1
1 187 . 11 1 1 A 22 22 LEU C C 22 178.979 178.721 0.258 1
1 188 . 11 1 1 A 22 22 LEU CA C 22 58.369 57.527 0.842 1
1 189 . 11 1 1 A 22 22 LEU CB C 22 38.869 41.001 -2.132 1
1 193 . 11 1 1 A 22 22 LEU N N 22 119.184 120.336 -1.152 1
1 194 . 11 1 1 A 23 23 ARG H H 23 8.451 8.204 0.247 1
1 195 . 11 1 1 A 23 23 ARG HA H 23 4.054 4.224 -0.170 1
1 202 . 11 1 1 A 23 23 ARG C C 23 178.177 179.566 -1.389 1
1 203 . 11 1 1 A 23 23 ARG CA C 23 59.157 59.757 -0.600 1
1 204 . 11 1 1 A 23 23 ARG CB C 23 29.772 30.119 -0.347 1
1 207 . 11 1 1 A 23 23 ARG N N 23 116.571 120.059 -3.488 1
1 208 . 11 1 1 A 24 24 GLN H H 24 7.749 8.248 -0.499 1
1 209 . 11 1 1 A 24 24 GLN HA H 24 4.129 4.007 0.122 1
1 216 . 11 1 1 A 24 24 GLN C C 24 179.100 178.580 0.520 1
1 217 . 11 1 1 A 24 24 GLN CA C 24 58.827 59.093 -0.266 1
1 218 . 11 1 1 A 24 24 GLN CB C 24 28.290 28.175 0.115 1
1 220 . 11 1 1 A 24 24 GLN N N 24 118.256 118.842 -0.586 1
1 222 . 11 1 1 A 25 25 TYR H H 25 7.902 8.126 -0.224 1
1 223 . 11 1 1 A 25 25 TYR HA H 25 4.295 4.304 -0.009 1
1 230 . 11 1 1 A 25 25 TYR C C 25 178.080 178.351 -0.271 1
1 231 . 11 1 1 A 25 25 TYR CA C 25 61.506 60.768 0.738 1
1 232 . 11 1 1 A 25 25 TYR CB C 25 39.001 38.100 0.901 1
1 237 . 11 1 1 A 25 25 TYR N N 25 117.374 120.435 -3.061 1
1 238 . 11 1 1 A 26 26 PHE H H 26 8.935 8.679 0.256 1
1 239 . 11 1 1 A 26 26 PHE HA H 26 4.366 4.524 -0.158 1
1 247 . 11 1 1 A 26 26 PHE C C 26 175.847 176.703 -0.856 1
1 248 . 11 1 1 A 26 26 PHE CA C 26 61.452 62.324 -0.872 1
1 249 . 11 1 1 A 26 26 PHE CB C 26 39.538 39.397 0.141 1
1 255 . 11 1 1 A 27 27 ASP H H 27 8.138 8.226 -0.088 1
1 256 . 11 1 1 A 27 27 ASP HA H 27 4.407 4.359 0.048 1
1 259 . 11 1 1 A 27 27 ASP C C 27 177.546 178.650 -1.104 1
1 260 . 11 1 1 A 27 27 ASP CA C 27 56.007 57.594 -1.587 1
1 261 . 11 1 1 A 27 27 ASP CB C 27 40.813 41.719 -0.906 1
1 262 . 11 1 1 A 27 27 ASP N N 27 116.760 119.217 -2.457 1
1 263 . 11 1 1 A 28 28 ILE H H 28 7.463 7.120 0.343 1
1 264 . 11 1 1 A 28 28 ILE HA H 28 3.945 3.886 0.059 1
1 274 . 11 1 1 A 28 28 ILE C C 28 176.260 176.294 -0.034 1
1 275 . 11 1 1 A 28 28 ILE CA C 28 62.881 64.182 -1.301 1
1 276 . 11 1 1 A 28 28 ILE CB C 28 38.836 38.257 0.579 1
1 280 . 11 1 1 A 28 28 ILE N N 28 119.169 119.082 0.087 1
1 281 . 11 1 1 A 29 29 ASN H H 29 8.214 8.129 0.085 1
1 282 . 11 1 1 A 29 29 ASN HA H 29 4.620 4.950 -0.330 1
1 287 . 11 1 1 A 29 29 ASN C C 29 173.633 175.265 -1.632 1
1 288 . 11 1 1 A 29 29 ASN CA C 29 53.081 52.299 0.782 1
1 289 . 11 1 1 A 29 29 ASN CB C 29 39.330 41.259 -1.929 1
1 290 . 11 1 1 A 29 29 ASN N N 29 117.989 116.062 1.927 1
1 292 . 11 1 1 A 30 30 ASN H H 30 8.383 8.589 -0.206 1
1 293 . 11 1 1 A 30 30 ASN HA H 30 4.231 3.837 0.394 1
1 298 . 11 1 1 A 30 30 ASN C C 30 174.338 174.961 -0.623 1
1 299 . 11 1 1 A 30 30 ASN CA C 30 53.610 56.584 -2.974 1
1 300 . 11 1 1 A 30 30 ASN CB C 30 38.836 38.286 0.550 1
1 301 . 11 1 1 A 30 30 ASN N N 30 120.522 122.652 -2.130 1
1 303 . 11 1 1 A 31 31 SER H H 31 7.941 7.863 0.078 1
1 304 . 11 1 1 A 31 31 SER HA H 31 4.795 4.767 0.028 1
1 307 . 11 1 1 A 31 31 SER C C 31 174.387 172.270 2.117 1
1 308 . 11 1 1 A 31 31 SER CA C 31 54.843 54.695 0.148 1
1 309 . 11 1 1 A 31 31 SER CB C 31 63.553 65.323 -1.770 1
1 310 . 11 1 1 A 31 31 SER N N 31 112.907 112.230 0.677 1
1 311 . 11 1 1 A 32 32 PRO HA H 32 4.437 4.459 -0.022 1
1 318 . 11 1 1 A 32 32 PRO C C 32 176.844 176.106 0.738 1
1 319 . 11 1 1 A 32 32 PRO CA C 32 62.180 62.089 0.091 1
1 320 . 11 1 1 A 32 32 PRO CB C 32 32.380 32.157 0.223 1
1 323 . 11 1 1 A 33 33 SER H H 33 8.658 8.292 0.366 1
1 324 . 11 1 1 A 33 33 SER HA H 33 4.462 4.769 -0.307 1
1 327 . 11 1 1 A 33 33 SER C C 33 175.068 175.784 -0.716 1
1 328 . 11 1 1 A 33 33 SER CA C 33 56.539 56.278 0.261 1
1 329 . 11 1 1 A 33 33 SER CB C 33 65.613 66.162 -0.549 1
1 330 . 11 1 1 A 33 33 SER N N 33 117.201 114.223 2.978 1
1 331 . 11 1 1 A 34 34 GLU H H 34 8.983 9.176 -0.193 1
1 332 . 11 1 1 A 34 34 GLU HA H 34 3.885 3.931 -0.046 1
1 337 . 11 1 1 A 34 34 GLU C C 34 179.464 178.391 1.073 1
1 338 . 11 1 1 A 34 34 GLU CA C 34 59.990 59.365 0.625 1
1 339 . 11 1 1 A 34 34 GLU CB C 34 29.031 29.223 -0.192 1
1 341 . 11 1 1 A 34 34 GLU N N 34 120.557 121.543 -0.986 1
1 342 . 11 1 1 A 35 35 GLU H H 35 8.672 7.946 0.726 1
1 343 . 11 1 1 A 35 35 GLU HA H 35 3.989 4.097 -0.108 1
1 348 . 11 1 1 A 35 35 GLU C C 35 179.440 178.925 0.515 1
1 349 . 11 1 1 A 35 35 GLU CA C 35 60.096 59.150 0.946 1
1 350 . 11 1 1 A 35 35 GLU CB C 35 28.949 29.736 -0.787 1
1 352 . 11 1 1 A 35 35 GLU N N 35 119.112 120.271 -1.159 1
1 353 . 11 1 1 A 36 36 GLN H H 36 7.705 8.032 -0.327 1
1 354 . 11 1 1 A 36 36 GLN HA H 36 4.012 3.965 0.047 1
1 360 . 11 1 1 A 36 36 GLN C C 36 178.372 178.216 0.156 1
1 361 . 11 1 1 A 36 36 GLN CA C 36 58.968 58.507 0.461 1
1 362 . 11 1 1 A 36 36 GLN CB C 36 28.290 28.282 0.008 1
1 364 . 11 1 1 A 36 36 GLN N N 36 120.638 119.077 1.561 1
1 366 . 11 1 1 A 37 37 ILE H H 37 8.308 8.440 -0.132 1
1 367 . 11 1 1 A 37 37 ILE HA H 37 3.474 3.736 -0.262 1
1 377 . 11 1 1 A 37 37 ILE C C 37 177.400 178.689 -1.289 1
1 378 . 11 1 1 A 37 37 ILE CA C 37 65.173 64.747 0.426 1
1 379 . 11 1 1 A 37 37 ILE CB C 37 36.447 37.809 -1.362 1
1 383 . 11 1 1 A 37 37 ILE N N 37 121.515 120.292 1.223 1
1 384 . 11 1 1 A 38 38 LYS H H 38 7.808 7.870 -0.062 1
1 385 . 11 1 1 A 38 38 LYS HA H 38 3.803 4.010 -0.207 1
1 393 . 11 1 1 A 38 38 LYS C C 38 178.153 178.780 -0.627 1
1 394 . 11 1 1 A 38 38 LYS CA C 38 60.096 59.296 0.800 1
1 395 . 11 1 1 A 38 38 LYS CB C 38 31.833 32.465 -0.632 1
1 399 . 11 1 1 A 38 38 LYS N N 38 120.672 122.470 -1.798 1
1 400 . 11 1 1 A 39 39 GLU H H 39 7.719 8.083 -0.364 1
1 401 . 11 1 1 A 39 39 GLU HA H 39 4.089 4.059 0.030 1
1 406 . 11 1 1 A 39 39 GLU C C 39 179.278 178.306 0.972 1
1 407 . 11 1 1 A 39 39 GLU CA C 39 59.522 59.191 0.331 1
1 408 . 11 1 1 A 39 39 GLU CB C 39 29.773 28.929 0.844 1
1 410 . 11 1 1 A 39 39 GLU N N 39 119.510 117.538 1.972 1
1 411 . 11 1 1 A 40 40 MET H H 40 8.167 8.312 -0.145 1
1 412 . 11 1 1 A 40 40 MET HA H 40 3.599 4.169 -0.570 1
1 420 . 11 1 1 A 40 40 MET C C 40 179.813 178.310 1.503 1
1 421 . 11 1 1 A 40 40 MET CA C 40 59.533 58.662 0.871 1
1 422 . 11 1 1 A 40 40 MET CB C 40 35.410 33.080 2.330 1
1 425 . 11 1 1 A 40 40 MET N N 40 117.312 118.963 -1.651 1
1 426 . 11 1 1 A 41 41 ALA H H 41 8.689 7.975 0.714 1
1 427 . 11 1 1 A 41 41 ALA HA H 41 4.102 4.355 -0.253 1
1 431 . 11 1 1 A 41 41 ALA C C 41 179.610 179.032 0.578 1
1 432 . 11 1 1 A 41 41 ALA CA C 41 55.866 55.022 0.844 1
1 433 . 11 1 1 A 41 41 ALA CB C 41 18.609 18.514 0.095 1
1 434 . 11 1 1 A 41 41 ALA N N 41 128.620 121.454 7.166 1
1 435 . 11 1 1 A 42 42 ASP H H 42 8.324 7.275 1.049 1
1 436 . 11 1 1 A 42 42 ASP HA H 42 4.306 4.559 -0.253 1
1 439 . 11 1 1 A 42 42 ASP C C 42 179.003 178.449 0.554 1
1 440 . 11 1 1 A 42 42 ASP CA C 42 57.241 56.283 0.958 1
1 441 . 11 1 1 A 42 42 ASP CB C 42 40.319 41.457 -1.138 1
1 442 . 11 1 1 A 42 42 ASP N N 42 120.159 117.913 2.246 1
1 443 . 11 1 1 A 43 43 LYS H H 43 8.036 7.740 0.296 1
1 444 . 11 1 1 A 43 43 LYS HA H 43 4.155 4.051 0.104 1
1 452 . 11 1 1 A 43 43 LYS C C 43 178.105 178.225 -0.120 1
1 453 . 11 1 1 A 43 43 LYS CA C 43 58.580 58.954 -0.374 1
1 454 . 11 1 1 A 43 43 LYS CB C 43 33.893 32.268 1.625 1
1 458 . 11 1 1 A 43 43 LYS N N 43 116.586 119.148 -2.562 1
1 459 . 11 1 1 A 44 44 SER H H 44 8.314 8.209 0.105 1
1 460 . 11 1 1 A 44 44 SER HA H 44 4.486 4.590 -0.104 1
1 463 . 11 1 1 A 44 44 SER C C 44 175.458 175.435 0.023 1
1 464 . 11 1 1 A 44 44 SER CA C 44 59.955 58.665 1.290 1
1 465 . 11 1 1 A 44 44 SER CB C 44 66.025 65.219 0.806 1
1 466 . 11 1 1 A 44 44 SER N N 44 111.140 110.370 0.770 1
1 467 . 11 1 1 A 45 45 GLY H H 45 8.249 8.080 0.169 1
1 468 . 11 1 1 A 45 45 GLY HA2 H 45 3.872 4.031 -0.159 1
1 469 . 11 1 1 A 45 45 GLY HA3 H 45 4.233 4.034 0.199 1
1 470 . 11 1 1 A 45 45 GLY C C 45 174.317 174.349 -0.032 1
1 471 . 11 1 1 A 45 45 GLY CA C 45 45.889 44.972 0.917 1
1 472 . 11 1 1 A 45 45 GLY N N 45 112.770 110.692 2.078 1
1 473 . 11 1 1 A 46 46 LEU H H 46 7.800 7.682 0.118 1
1 474 . 11 1 1 A 46 46 LEU HA H 46 4.685 4.497 0.188 1
1 484 . 11 1 1 A 46 46 LEU C C 46 174.366 174.683 -0.317 1
1 485 . 11 1 1 A 46 46 LEU CA C 46 52.235 52.690 -0.455 1
1 486 . 11 1 1 A 46 46 LEU CB C 46 43.285 41.366 1.919 1
1 490 . 11 1 1 A 46 46 LEU N N 46 121.722 122.857 -1.135 1
1 491 . 11 1 1 A 47 47 PRO HA H 47 4.542 4.572 -0.030 1
1 497 . 11 1 1 A 47 47 PRO C C 47 178.542 176.610 1.932 1
1 498 . 11 1 1 A 47 47 PRO CA C 47 62.000 62.395 -0.395 1
1 499 . 11 1 1 A 47 47 PRO CB C 47 32.731 33.307 -0.576 1
1 502 . 11 1 1 A 48 48 GLN H H 48 9.124 8.655 0.469 1
1 503 . 11 1 1 A 48 48 GLN HA H 48 3.629 4.091 -0.462 1
1 510 . 11 1 1 A 48 48 GLN C C 48 178.080 178.014 0.066 1
1 511 . 11 1 1 A 48 48 GLN CA C 48 60.872 58.132 2.740 1
1 512 . 11 1 1 A 48 48 GLN CB C 48 28.455 28.524 -0.069 1
1 514 . 11 1 1 A 48 48 GLN N N 48 123.862 120.541 3.321 1
1 516 . 11 1 1 A 49 49 LYS H H 49 8.912 7.990 0.922 1
1 517 . 11 1 1 A 49 49 LYS HA H 49 3.969 4.141 -0.172 1
1 524 . 11 1 1 A 49 49 LYS C C 49 178.954 179.179 -0.225 1
1 525 . 11 1 1 A 49 49 LYS CA C 49 59.955 59.269 0.686 1
1 526 . 11 1 1 A 49 49 LYS CB C 49 32.327 32.186 0.141 1
1 530 . 11 1 1 A 49 49 LYS N N 49 116.406 118.507 -2.101 1
1 531 . 11 1 1 A 50 50 VAL H H 50 6.874 7.870 -0.996 1
1 532 . 11 1 1 A 50 50 VAL HA H 50 3.835 3.607 0.228 1
1 540 . 11 1 1 A 50 50 VAL C C 50 178.299 178.553 -0.254 1
1 541 . 11 1 1 A 50 50 VAL CA C 50 65.560 66.279 -0.719 1
1 542 . 11 1 1 A 50 50 VAL CB C 50 32.080 31.590 0.490 1
1 545 . 11 1 1 A 50 50 VAL N N 50 119.065 120.242 -1.177 1
1 546 . 11 1 1 A 51 51 ILE H H 51 7.503 7.961 -0.458 1
1 547 . 11 1 1 A 51 51 ILE HA H 51 3.672 3.753 -0.081 1
1 557 . 11 1 1 A 51 51 ILE C C 51 178.007 178.298 -0.291 1
1 558 . 11 1 1 A 51 51 ILE CA C 51 66.019 65.576 0.443 1
1 559 . 11 1 1 A 51 51 ILE CB C 51 38.081 37.726 0.355 1
1 563 . 11 1 1 A 51 51 ILE N N 51 121.254 121.011 0.243 1
1 564 . 11 1 1 A 52 52 LYS H H 52 8.596 7.892 0.704 1
1 565 . 11 1 1 A 52 52 LYS HA H 52 3.984 4.132 -0.148 1
1 572 . 11 1 1 A 52 52 LYS C C 52 179.302 179.070 0.232 1
1 573 . 11 1 1 A 52 52 LYS CA C 52 60.978 59.355 1.623 1
1 574 . 11 1 1 A 52 52 LYS CB C 52 32.574 32.548 0.026 1
1 578 . 11 1 1 A 52 52 LYS N N 52 118.531 119.479 -0.948 1
1 579 . 11 1 1 A 53 53 HIS H H 53 7.952 8.035 -0.083 1
1 580 . 11 1 1 A 53 53 HIS HA H 53 4.324 4.396 -0.072 1
1 585 . 11 1 1 A 53 53 HIS C C 53 177.085 177.171 -0.086 1
1 586 . 11 1 1 A 53 53 HIS CA C 53 60.026 59.315 0.711 1
1 587 . 11 1 1 A 53 53 HIS CB C 53 30.867 30.308 0.559 1
1 590 . 11 1 1 A 53 53 HIS N N 53 118.728 119.249 -0.521 1
1 591 . 11 1 1 A 54 54 TRP H H 54 8.614 8.495 0.119 1
1 592 . 11 1 1 A 54 54 TRP HA H 54 4.048 4.276 -0.228 1
1 601 . 11 1 1 A 54 54 TRP C C 54 180.144 178.554 1.590 1
1 602 . 11 1 1 A 54 54 TRP CA C 54 62.916 61.087 1.829 1
1 603 . 11 1 1 A 54 54 TRP CB C 54 28.766 29.646 -0.880 1
1 609 . 11 1 1 A 54 54 TRP N N 54 121.845 121.730 0.115 1
1 611 . 11 1 1 A 55 55 PHE H H 55 9.035 8.434 0.601 1
1 612 . 11 1 1 A 55 55 PHE HA H 55 3.786 4.107 -0.321 1
1 620 . 11 1 1 A 55 55 PHE C C 55 178.129 177.956 0.173 1
1 621 . 11 1 1 A 55 55 PHE CA C 55 63.617 62.535 1.082 1
1 622 . 11 1 1 A 55 55 PHE CB C 55 39.260 38.947 0.313 1
1 628 . 11 1 1 A 55 55 PHE N N 55 120.180 118.085 2.095 1
1 629 . 11 1 1 A 56 56 ARG H H 56 7.962 8.480 -0.518 1
1 630 . 11 1 1 A 56 56 ARG HA H 56 4.095 3.966 0.129 1
1 636 . 11 1 1 A 56 56 ARG C C 56 178.444 178.663 -0.219 1
1 637 . 11 1 1 A 56 56 ARG CA C 56 59.356 59.566 -0.210 1
1 638 . 11 1 1 A 56 56 ARG CB C 56 30.087 29.646 0.441 1
1 641 . 11 1 1 A 56 56 ARG N N 56 118.370 120.914 -2.544 1
1 642 . 11 1 1 A 57 57 ASN H H 57 8.194 8.351 -0.157 1
1 643 . 11 1 1 A 57 57 ASN HA H 57 4.401 4.323 0.078 1
1 648 . 11 1 1 A 57 57 ASN C C 57 176.866 177.995 -1.129 1
1 649 . 11 1 1 A 57 57 ASN CA C 57 55.497 56.021 -0.524 1
1 650 . 11 1 1 A 57 57 ASN CB C 57 38.640 38.131 0.509 1
1 651 . 11 1 1 A 57 57 ASN N N 57 117.190 117.664 -0.474 1
1 653 . 11 1 1 A 58 58 THR H H 58 7.999 8.008 -0.009 1
1 654 . 11 1 1 A 58 58 THR HA H 58 3.426 3.655 -0.229 1
1 659 . 11 1 1 A 58 58 THR C C 58 175.361 176.257 -0.896 1
1 660 . 11 1 1 A 58 58 THR CA C 58 65.801 67.087 -1.286 1
1 661 . 11 1 1 A 58 58 THR CB C 58 68.064 68.144 -0.080 1
1 663 . 11 1 1 A 58 58 THR N N 58 117.859 116.031 1.828 1
1 664 . 11 1 1 A 59 59 LEU H H 59 7.950 8.048 -0.098 1
1 665 . 11 1 1 A 59 59 LEU HA H 59 4.127 4.150 -0.023 1
1 674 . 11 1 1 A 59 59 LEU C C 59 177.886 178.768 -0.882 1
1 675 . 11 1 1 A 59 59 LEU CA C 59 57.628 58.605 -0.977 1
1 676 . 11 1 1 A 59 59 LEU CB C 59 42.296 42.231 0.065 1
1 680 . 11 1 1 A 59 59 LEU N N 59 122.280 121.332 0.948 1
1 681 . 11 1 1 A 60 60 PHE H H 60 7.797 8.828 -1.031 1
1 682 . 11 1 1 A 60 60 PHE HA H 60 4.309 3.983 0.326 1
1 690 . 11 1 1 A 60 60 PHE C C 60 177.085 177.145 -0.060 1
1 691 . 11 1 1 A 60 60 PHE CA C 60 59.920 61.888 -1.968 1
1 692 . 11 1 1 A 60 60 PHE CB C 60 38.918 39.369 -0.451 1
1 698 . 11 1 1 A 60 60 PHE N N 60 118.008 119.668 -1.660 1
1 699 . 11 1 1 A 61 61 LYS H H 61 7.839 8.135 -0.296 1
1 700 . 11 1 1 A 61 61 LYS HA H 61 4.007 3.997 0.010 1
1 707 . 11 1 1 A 61 61 LYS C C 61 178.032 179.832 -1.800 1
1 708 . 11 1 1 A 61 61 LYS CA C 61 58.016 59.362 -1.346 1
1 709 . 11 1 1 A 61 61 LYS CB C 61 32.657 32.384 0.273 1
1 713 . 11 1 1 A 61 61 LYS N N 61 119.447 118.149 1.298 1
1 714 . 11 1 1 A 62 62 GLU H H 62 8.139 8.708 -0.569 1
1 715 . 11 1 1 A 62 62 GLU HA H 62 4.146 3.904 0.242 1
1 720 . 11 1 1 A 62 62 GLU C C 62 177.595 179.505 -1.910 1
1 721 . 11 1 1 A 62 62 GLU CA C 62 57.699 59.523 -1.824 1
1 722 . 11 1 1 A 62 62 GLU CB C 62 29.608 29.319 0.289 1
1 724 . 11 1 1 A 62 62 GLU N N 62 119.302 119.917 -0.615 1
1 725 . 11 1 1 A 63 63 ARG H H 63 8.015 7.599 0.416 1
1 726 . 11 1 1 A 63 63 ARG HA H 63 4.258 4.161 0.097 1
1 732 . 11 1 1 A 63 63 ARG C C 63 176.769 176.291 0.478 1
1 733 . 11 1 1 A 63 63 ARG CA C 63 56.677 59.141 -2.464 1
1 734 . 11 1 1 A 63 63 ARG CB C 63 30.514 29.839 0.675 1
1 737 . 11 1 1 A 63 63 ARG N N 63 119.598 119.251 0.347 1
1 738 . 11 1 1 A 64 64 GLN H H 64 8.058 7.845 0.213 1
1 739 . 11 1 1 A 64 64 GLN HA H 64 4.242 4.229 0.013 1
1 745 . 11 1 1 A 64 64 GLN C C 64 176.114 175.856 0.258 1
1 746 . 11 1 1 A 64 64 GLN CA C 64 56.148 56.211 -0.063 1
1 747 . 11 1 1 A 64 64 GLN CB C 64 29.258 29.325 -0.067 1
1 749 . 11 1 1 A 64 64 GLN N N 64 120.027 118.383 1.644 1
1 751 . 11 1 1 A 65 65 SER H H 65 8.172 8.903 -0.731 1
1 752 . 11 1 1 A 65 65 SER HA H 65 4.457 4.579 -0.122 1
1 755 . 11 1 1 A 65 65 SER C C 65 174.487 174.468 0.019 1
1 756 . 11 1 1 A 65 65 SER CA C 65 58.404 59.507 -1.103 1
1 757 . 11 1 1 A 65 65 SER CB C 65 63.965 65.308 -1.343 1
1 758 . 11 1 1 A 65 65 SER N N 65 116.070 115.596 0.474 1
1 759 . 11 1 1 A 66 66 GLY H H 66 8.170 8.018 0.152 1
1 760 . 11 1 1 A 66 66 GLY HA2 H 66 4.141 4.078 0.063 1
1 761 . 11 1 1 A 66 66 GLY HA3 H 66 4.082 4.079 0.003 1
1 762 . 11 1 1 A 66 66 GLY C C 66 171.768 173.702 -1.934 1
1 763 . 11 1 1 A 66 66 GLY CA C 66 44.620 44.840 -0.220 1
1 764 . 11 1 1 A 66 66 GLY N N 66 110.579 108.012 2.567 1
1 765 . 11 1 1 A 67 67 PRO HA H 67 4.453 4.430 0.023 1
1 770 . 11 1 1 A 67 67 PRO C C 67 177.400 176.234 1.166 1
1 771 . 11 1 1 A 67 67 PRO CA C 67 63.198 64.881 -1.683 1
1 772 . 11 1 1 A 67 67 PRO CB C 67 32.171 32.092 0.079 1
1 775 . 11 1 1 A 68 68 SER H H 68 8.525 7.815 0.710 1
1 776 . 11 1 1 A 68 68 SER HA H 68 4.490 4.786 -0.296 1
1 779 . 11 1 1 A 68 68 SER C C 68 174.657 173.332 1.325 1
1 780 . 11 1 1 A 68 68 SER CA C 68 58.589 56.836 1.753 1
1 781 . 11 1 1 A 68 68 SER CB C 68 63.800 64.800 -1.000 1
1 782 . 11 1 1 A 68 68 SER N N 68 116.415 109.894 6.521 1
1 783 . 11 1 1 A 69 69 SER H H 69 8.316 8.841 -0.525 1
1 784 . 11 1 1 A 69 69 SER HA H 69 4.467 4.682 -0.215 1
1 787 . 11 1 1 A 69 69 SER C C 69 173.953 174.008 -0.055 1
1 788 . 11 1 1 A 69 69 SER CA C 69 58.369 58.185 0.184 1
1 789 . 11 1 1 A 69 69 SER CB C 69 64.047 64.157 -0.110 1
1 790 . 11 1 1 A 69 69 SER N N 69 117.832 122.175 -4.343 1
1 1 . 12 1 1 A 7 7 GLY H H 7 8.499 8.938 -0.439 1
1 2 . 12 1 1 A 7 7 GLY HA2 H 7 3.948 4.319 -0.371 1
1 3 . 12 1 1 A 7 7 GLY HA3 H 7 3.948 4.320 -0.372 1
1 4 . 12 1 1 A 7 7 GLY C C 7 173.949 174.478 -0.529 1
1 5 . 12 1 1 A 7 7 GLY CA C 7 45.325 44.762 0.563 1
1 6 . 12 1 1 A 8 8 LYS H H 8 8.116 8.651 -0.535 1
1 7 . 12 1 1 A 8 8 LYS HA H 8 4.308 4.289 0.019 1
1 14 . 12 1 1 A 8 8 LYS C C 8 176.504 176.941 -0.437 1
1 15 . 12 1 1 A 8 8 LYS CA C 8 56.113 58.403 -2.290 1
1 16 . 12 1 1 A 8 8 LYS CB C 8 33.151 33.016 0.135 1
1 20 . 12 1 1 A 8 8 LYS N N 8 120.734 123.083 -2.349 1
1 21 . 12 1 1 A 9 9 ARG H H 9 8.362 7.789 0.573 1
1 22 . 12 1 1 A 9 9 ARG HA H 9 4.590 4.643 -0.053 1
1 27 . 12 1 1 A 9 9 ARG C C 9 176.479 175.735 0.744 1
1 28 . 12 1 1 A 9 9 ARG CA C 9 53.962 53.858 0.104 1
1 29 . 12 1 1 A 9 9 ARG CB C 9 30.103 30.212 -0.109 1
1 32 . 12 1 1 A 9 9 ARG N N 9 123.609 118.481 5.128 1
1 33 . 12 1 1 A 10 10 PRO HA H 10 4.419 4.476 -0.057 1
1 39 . 12 1 1 A 10 10 PRO C C 10 176.796 176.648 0.148 1
1 40 . 12 1 1 A 10 10 PRO CA C 10 62.987 64.406 -1.419 1
1 41 . 12 1 1 A 10 10 PRO CB C 10 32.080 31.677 0.403 1
1 44 . 12 1 1 A 11 11 ARG H H 11 8.517 7.826 0.691 1
1 45 . 12 1 1 A 11 11 ARG C C 11 176.551 175.591 0.960 1
1 46 . 12 1 1 A 11 11 ARG CA C 11 56.077 55.943 0.134 1
1 47 . 12 1 1 A 11 11 ARG CB C 11 30.762 30.538 0.224 1
1 48 . 12 1 1 A 11 11 ARG N N 11 121.931 118.546 3.385 1
1 49 . 12 1 1 A 12 12 THR HA H 12 4.260 4.857 -0.597 1
1 54 . 12 1 1 A 12 12 THR C C 12 173.904 173.185 0.719 1
1 55 . 12 1 1 A 12 12 THR CA C 12 62.218 60.432 1.786 1
1 56 . 12 1 1 A 12 12 THR CB C 12 69.843 70.601 -0.758 1
1 58 . 12 1 1 A 13 13 ARG H H 13 8.434 8.729 -0.295 1
1 59 . 12 1 1 A 13 13 ARG HA H 13 4.381 5.061 -0.680 1
1 65 . 12 1 1 A 13 13 ARG C C 13 175.336 174.733 0.603 1
1 66 . 12 1 1 A 13 13 ARG CA C 13 55.972 54.071 1.901 1
1 67 . 12 1 1 A 13 13 ARG CB C 13 31.059 33.832 -2.773 1
1 70 . 12 1 1 A 13 13 ARG N N 13 125.368 121.660 3.708 1
1 71 . 12 1 1 A 14 14 ILE H H 14 8.179 9.040 -0.861 1
1 72 . 12 1 1 A 14 14 ILE HA H 14 4.268 4.844 -0.576 1
1 82 . 12 1 1 A 14 14 ILE C C 14 176.844 176.223 0.621 1
1 83 . 12 1 1 A 14 14 ILE CA C 14 61.647 60.085 1.562 1
1 84 . 12 1 1 A 14 14 ILE CB C 14 39.248 40.166 -0.918 1
1 88 . 12 1 1 A 14 14 ILE N N 14 123.951 126.679 -2.728 1
1 89 . 12 1 1 A 15 15 THR H H 15 8.922 8.773 0.149 1
1 90 . 12 1 1 A 15 15 THR HA H 15 4.386 4.736 -0.350 1
1 95 . 12 1 1 A 15 15 THR C C 15 175.263 175.289 -0.026 1
1 96 . 12 1 1 A 15 15 THR CA C 15 61.402 60.324 1.078 1
1 97 . 12 1 1 A 15 15 THR CB C 15 70.796 71.873 -1.077 1
1 99 . 12 1 1 A 15 15 THR N N 15 119.222 117.497 1.725 1
1 100 . 12 1 1 A 16 16 ASP H H 16 8.951 8.996 -0.045 1
1 101 . 12 1 1 A 16 16 ASP HA H 16 4.353 4.276 0.077 1
1 104 . 12 1 1 A 16 16 ASP C C 16 178.888 177.881 1.007 1
1 105 . 12 1 1 A 16 16 ASP CA C 16 58.016 57.677 0.339 1
1 106 . 12 1 1 A 16 16 ASP CB C 16 40.154 40.855 -0.701 1
1 107 . 12 1 1 A 16 16 ASP N N 16 120.852 122.008 -1.156 1
1 108 . 12 1 1 A 17 17 ASP H H 17 8.387 8.297 0.090 1
1 109 . 12 1 1 A 17 17 ASP HA H 17 4.361 4.400 -0.039 1
1 112 . 12 1 1 A 17 17 ASP C C 17 178.815 178.531 0.284 1
1 113 . 12 1 1 A 17 17 ASP CA C 17 57.311 56.643 0.668 1
1 114 . 12 1 1 A 17 17 ASP CB C 17 40.649 40.240 0.409 1
1 115 . 12 1 1 A 17 17 ASP N N 17 118.488 118.653 -0.165 1
1 116 . 12 1 1 A 18 18 GLN H H 18 7.561 7.475 0.086 1
1 117 . 12 1 1 A 18 18 GLN HA H 18 3.844 4.228 -0.384 1
1 124 . 12 1 1 A 18 18 GLN C C 18 177.988 178.254 -0.266 1
1 125 . 12 1 1 A 18 18 GLN CA C 18 58.933 57.887 1.046 1
1 126 . 12 1 1 A 18 18 GLN CB C 18 28.702 29.171 -0.469 1
1 128 . 12 1 1 A 18 18 GLN N N 18 119.852 119.575 0.277 1
1 130 . 12 1 1 A 19 19 LEU H H 19 8.538 8.266 0.272 1
1 131 . 12 1 1 A 19 19 LEU HA H 19 3.549 3.719 -0.170 1
1 141 . 12 1 1 A 19 19 LEU C C 19 178.202 178.196 0.006 1
1 142 . 12 1 1 A 19 19 LEU CA C 19 57.593 57.910 -0.317 1
1 143 . 12 1 1 A 19 19 LEU CB C 19 41.720 41.736 -0.016 1
1 147 . 12 1 1 A 19 19 LEU N N 19 120.203 121.428 -1.225 1
1 148 . 12 1 1 A 20 20 ARG H H 20 7.644 8.331 -0.687 1
1 149 . 12 1 1 A 20 20 ARG HA H 20 3.893 4.111 -0.218 1
1 155 . 12 1 1 A 20 20 ARG C C 20 179.148 178.260 0.888 1
1 156 . 12 1 1 A 20 20 ARG CA C 20 59.744 58.495 1.249 1
1 157 . 12 1 1 A 20 20 ARG CB C 20 29.855 29.789 0.066 1
1 160 . 12 1 1 A 20 20 ARG N N 20 117.442 117.545 -0.103 1
1 161 . 12 1 1 A 21 21 VAL H H 21 7.074 7.644 -0.570 1
1 162 . 12 1 1 A 21 21 VAL HA H 21 3.726 3.717 0.009 1
1 170 . 12 1 1 A 21 21 VAL C C 21 177.643 178.379 -0.736 1
1 171 . 12 1 1 A 21 21 VAL CA C 21 66.098 66.248 -0.150 1
1 172 . 12 1 1 A 21 21 VAL CB C 21 31.750 31.552 0.198 1
1 175 . 12 1 1 A 21 21 VAL N N 21 118.796 120.483 -1.687 1
1 176 . 12 1 1 A 22 22 LEU H H 22 7.620 7.979 -0.359 1
1 177 . 12 1 1 A 22 22 LEU HA H 22 3.947 4.072 -0.125 1
1 187 . 12 1 1 A 22 22 LEU C C 22 178.979 178.518 0.461 1
1 188 . 12 1 1 A 22 22 LEU CA C 22 58.369 56.560 1.809 1
1 189 . 12 1 1 A 22 22 LEU CB C 22 38.869 40.971 -2.102 1
1 193 . 12 1 1 A 22 22 LEU N N 22 119.184 119.951 -0.767 1
1 194 . 12 1 1 A 23 23 ARG H H 23 8.451 8.211 0.240 1
1 195 . 12 1 1 A 23 23 ARG HA H 23 4.054 4.222 -0.168 1
1 202 . 12 1 1 A 23 23 ARG C C 23 178.177 178.948 -0.771 1
1 203 . 12 1 1 A 23 23 ARG CA C 23 59.157 59.514 -0.357 1
1 204 . 12 1 1 A 23 23 ARG CB C 23 29.772 30.395 -0.623 1
1 207 . 12 1 1 A 23 23 ARG N N 23 116.571 120.199 -3.628 1
1 208 . 12 1 1 A 24 24 GLN H H 24 7.749 8.423 -0.674 1
1 209 . 12 1 1 A 24 24 GLN HA H 24 4.129 4.185 -0.056 1
1 216 . 12 1 1 A 24 24 GLN C C 24 179.100 177.655 1.445 1
1 217 . 12 1 1 A 24 24 GLN CA C 24 58.827 58.451 0.376 1
1 218 . 12 1 1 A 24 24 GLN CB C 24 28.290 28.474 -0.184 1
1 220 . 12 1 1 A 24 24 GLN N N 24 118.256 117.762 0.494 1
1 222 . 12 1 1 A 25 25 TYR H H 25 7.902 8.271 -0.369 1
1 223 . 12 1 1 A 25 25 TYR HA H 25 4.295 4.331 -0.036 1
1 230 . 12 1 1 A 25 25 TYR C C 25 178.080 178.624 -0.544 1
1 231 . 12 1 1 A 25 25 TYR CA C 25 61.506 60.681 0.825 1
1 232 . 12 1 1 A 25 25 TYR CB C 25 39.001 37.832 1.169 1
1 237 . 12 1 1 A 25 25 TYR N N 25 117.374 118.813 -1.439 1
1 238 . 12 1 1 A 26 26 PHE H H 26 8.935 8.531 0.404 1
1 239 . 12 1 1 A 26 26 PHE HA H 26 4.366 4.440 -0.074 1
1 247 . 12 1 1 A 26 26 PHE C C 26 175.847 177.079 -1.232 1
1 248 . 12 1 1 A 26 26 PHE CA C 26 61.452 61.829 -0.377 1
1 249 . 12 1 1 A 26 26 PHE CB C 26 39.538 39.524 0.014 1
1 255 . 12 1 1 A 27 27 ASP H H 27 8.138 8.209 -0.071 1
1 256 . 12 1 1 A 27 27 ASP HA H 27 4.407 4.423 -0.016 1
1 259 . 12 1 1 A 27 27 ASP C C 27 177.546 178.545 -0.999 1
1 260 . 12 1 1 A 27 27 ASP CA C 27 56.007 57.702 -1.695 1
1 261 . 12 1 1 A 27 27 ASP CB C 27 40.813 41.337 -0.524 1
1 262 . 12 1 1 A 27 27 ASP N N 27 116.760 118.609 -1.849 1
1 263 . 12 1 1 A 28 28 ILE H H 28 7.463 7.160 0.303 1
1 264 . 12 1 1 A 28 28 ILE HA H 28 3.945 3.756 0.189 1
1 274 . 12 1 1 A 28 28 ILE C C 28 176.260 176.307 -0.047 1
1 275 . 12 1 1 A 28 28 ILE CA C 28 62.881 64.883 -2.002 1
1 276 . 12 1 1 A 28 28 ILE CB C 28 38.836 38.048 0.788 1
1 280 . 12 1 1 A 28 28 ILE N N 28 119.169 119.234 -0.065 1
1 281 . 12 1 1 A 29 29 ASN H H 29 8.214 8.290 -0.076 1
1 282 . 12 1 1 A 29 29 ASN HA H 29 4.620 5.014 -0.394 1
1 287 . 12 1 1 A 29 29 ASN C C 29 173.633 175.469 -1.836 1
1 288 . 12 1 1 A 29 29 ASN CA C 29 53.081 51.361 1.720 1
1 289 . 12 1 1 A 29 29 ASN CB C 29 39.330 41.247 -1.917 1
1 290 . 12 1 1 A 29 29 ASN N N 29 117.989 116.082 1.907 1
1 292 . 12 1 1 A 30 30 ASN H H 30 8.383 8.508 -0.125 1
1 293 . 12 1 1 A 30 30 ASN HA H 30 4.231 3.911 0.320 1
1 298 . 12 1 1 A 30 30 ASN C C 30 174.338 175.485 -1.147 1
1 299 . 12 1 1 A 30 30 ASN CA C 30 53.610 56.619 -3.009 1
1 300 . 12 1 1 A 30 30 ASN CB C 30 38.836 38.349 0.487 1
1 301 . 12 1 1 A 30 30 ASN N N 30 120.522 122.336 -1.814 1
1 303 . 12 1 1 A 31 31 SER H H 31 7.941 7.949 -0.008 1
1 304 . 12 1 1 A 31 31 SER HA H 31 4.795 4.690 0.105 1
1 307 . 12 1 1 A 31 31 SER C C 31 174.387 172.394 1.993 1
1 308 . 12 1 1 A 31 31 SER CA C 31 54.843 54.991 -0.148 1
1 309 . 12 1 1 A 31 31 SER CB C 31 63.553 64.601 -1.048 1
1 310 . 12 1 1 A 31 31 SER N N 31 112.907 110.921 1.986 1
1 311 . 12 1 1 A 32 32 PRO HA H 32 4.437 4.691 -0.254 1
1 318 . 12 1 1 A 32 32 PRO C C 32 176.844 175.731 1.113 1
1 319 . 12 1 1 A 32 32 PRO CA C 32 62.180 62.168 0.012 1
1 320 . 12 1 1 A 32 32 PRO CB C 32 32.380 32.036 0.344 1
1 323 . 12 1 1 A 33 33 SER H H 33 8.658 8.349 0.309 1
1 324 . 12 1 1 A 33 33 SER HA H 33 4.462 4.725 -0.263 1
1 327 . 12 1 1 A 33 33 SER C C 33 175.068 175.357 -0.289 1
1 328 . 12 1 1 A 33 33 SER CA C 33 56.539 56.732 -0.193 1
1 329 . 12 1 1 A 33 33 SER CB C 33 65.613 65.080 0.533 1
1 330 . 12 1 1 A 33 33 SER N N 33 117.201 117.290 -0.089 1
1 331 . 12 1 1 A 34 34 GLU H H 34 8.983 8.937 0.046 1
1 332 . 12 1 1 A 34 34 GLU HA H 34 3.885 3.929 -0.044 1
1 337 . 12 1 1 A 34 34 GLU C C 34 179.464 178.381 1.083 1
1 338 . 12 1 1 A 34 34 GLU CA C 34 59.990 59.398 0.592 1
1 339 . 12 1 1 A 34 34 GLU CB C 34 29.031 29.181 -0.150 1
1 341 . 12 1 1 A 34 34 GLU N N 34 120.557 126.346 -5.789 1
1 342 . 12 1 1 A 35 35 GLU H H 35 8.672 7.609 1.063 1
1 343 . 12 1 1 A 35 35 GLU HA H 35 3.989 4.070 -0.081 1
1 348 . 12 1 1 A 35 35 GLU C C 35 179.440 178.883 0.557 1
1 349 . 12 1 1 A 35 35 GLU CA C 35 60.096 59.164 0.932 1
1 350 . 12 1 1 A 35 35 GLU CB C 35 28.949 29.843 -0.894 1
1 352 . 12 1 1 A 35 35 GLU N N 35 119.112 120.223 -1.111 1
1 353 . 12 1 1 A 36 36 GLN H H 36 7.705 8.128 -0.423 1
1 354 . 12 1 1 A 36 36 GLN HA H 36 4.012 3.966 0.046 1
1 360 . 12 1 1 A 36 36 GLN C C 36 178.372 178.348 0.024 1
1 361 . 12 1 1 A 36 36 GLN CA C 36 58.968 58.384 0.584 1
1 362 . 12 1 1 A 36 36 GLN CB C 36 28.290 28.268 0.022 1
1 364 . 12 1 1 A 36 36 GLN N N 36 120.638 118.461 2.177 1
1 366 . 12 1 1 A 37 37 ILE H H 37 8.308 8.445 -0.137 1
1 367 . 12 1 1 A 37 37 ILE HA H 37 3.474 3.674 -0.200 1
1 377 . 12 1 1 A 37 37 ILE C C 37 177.400 178.629 -1.229 1
1 378 . 12 1 1 A 37 37 ILE CA C 37 65.173 64.914 0.259 1
1 379 . 12 1 1 A 37 37 ILE CB C 37 36.447 37.620 -1.173 1
1 383 . 12 1 1 A 37 37 ILE N N 37 121.515 120.641 0.874 1
1 384 . 12 1 1 A 38 38 LYS H H 38 7.808 7.859 -0.051 1
1 385 . 12 1 1 A 38 38 LYS HA H 38 3.803 4.013 -0.210 1
1 393 . 12 1 1 A 38 38 LYS C C 38 178.153 178.741 -0.588 1
1 394 . 12 1 1 A 38 38 LYS CA C 38 60.096 59.292 0.804 1
1 395 . 12 1 1 A 38 38 LYS CB C 38 31.833 32.477 -0.644 1
1 399 . 12 1 1 A 38 38 LYS N N 38 120.672 122.418 -1.746 1
1 400 . 12 1 1 A 39 39 GLU H H 39 7.719 8.157 -0.438 1
1 401 . 12 1 1 A 39 39 GLU HA H 39 4.089 4.071 0.018 1
1 406 . 12 1 1 A 39 39 GLU C C 39 179.278 178.507 0.771 1
1 407 . 12 1 1 A 39 39 GLU CA C 39 59.522 59.174 0.348 1
1 408 . 12 1 1 A 39 39 GLU CB C 39 29.773 28.986 0.787 1
1 410 . 12 1 1 A 39 39 GLU N N 39 119.510 117.530 1.980 1
1 411 . 12 1 1 A 40 40 MET H H 40 8.167 8.284 -0.117 1
1 412 . 12 1 1 A 40 40 MET HA H 40 3.599 4.161 -0.562 1
1 420 . 12 1 1 A 40 40 MET C C 40 179.813 178.385 1.428 1
1 421 . 12 1 1 A 40 40 MET CA C 40 59.533 58.730 0.803 1
1 422 . 12 1 1 A 40 40 MET CB C 40 35.410 32.932 2.478 1
1 425 . 12 1 1 A 40 40 MET N N 40 117.312 118.990 -1.678 1
1 426 . 12 1 1 A 41 41 ALA H H 41 8.689 7.883 0.806 1
1 427 . 12 1 1 A 41 41 ALA HA H 41 4.102 4.380 -0.278 1
1 431 . 12 1 1 A 41 41 ALA C C 41 179.610 178.935 0.675 1
1 432 . 12 1 1 A 41 41 ALA CA C 41 55.866 54.879 0.987 1
1 433 . 12 1 1 A 41 41 ALA CB C 41 18.609 18.453 0.156 1
1 434 . 12 1 1 A 41 41 ALA N N 41 128.620 121.669 6.951 1
1 435 . 12 1 1 A 42 42 ASP H H 42 8.324 7.146 1.178 1
1 436 . 12 1 1 A 42 42 ASP HA H 42 4.306 4.635 -0.329 1
1 439 . 12 1 1 A 42 42 ASP C C 42 179.003 178.482 0.521 1
1 440 . 12 1 1 A 42 42 ASP CA C 42 57.241 56.349 0.892 1
1 441 . 12 1 1 A 42 42 ASP CB C 42 40.319 41.589 -1.270 1
1 442 . 12 1 1 A 42 42 ASP N N 42 120.159 118.087 2.072 1
1 443 . 12 1 1 A 43 43 LYS H H 43 8.036 7.849 0.187 1
1 444 . 12 1 1 A 43 43 LYS HA H 43 4.155 4.055 0.100 1
1 452 . 12 1 1 A 43 43 LYS C C 43 178.105 177.999 0.106 1
1 453 . 12 1 1 A 43 43 LYS CA C 43 58.580 58.974 -0.394 1
1 454 . 12 1 1 A 43 43 LYS CB C 43 33.893 32.410 1.483 1
1 458 . 12 1 1 A 43 43 LYS N N 43 116.586 119.012 -2.426 1
1 459 . 12 1 1 A 44 44 SER H H 44 8.314 8.221 0.093 1
1 460 . 12 1 1 A 44 44 SER HA H 44 4.486 4.593 -0.107 1
1 463 . 12 1 1 A 44 44 SER C C 44 175.458 175.496 -0.038 1
1 464 . 12 1 1 A 44 44 SER CA C 44 59.955 58.662 1.293 1
1 465 . 12 1 1 A 44 44 SER CB C 44 66.025 65.235 0.790 1
1 466 . 12 1 1 A 44 44 SER N N 44 111.140 110.529 0.611 1
1 467 . 12 1 1 A 45 45 GLY H H 45 8.249 8.146 0.103 1
1 468 . 12 1 1 A 45 45 GLY HA2 H 45 3.872 4.014 -0.142 1
1 469 . 12 1 1 A 45 45 GLY HA3 H 45 4.233 4.015 0.218 1
1 470 . 12 1 1 A 45 45 GLY C C 45 174.317 174.199 0.118 1
1 471 . 12 1 1 A 45 45 GLY CA C 45 45.889 44.904 0.985 1
1 472 . 12 1 1 A 45 45 GLY N N 45 112.770 110.711 2.059 1
1 473 . 12 1 1 A 46 46 LEU H H 46 7.800 7.576 0.224 1
1 474 . 12 1 1 A 46 46 LEU HA H 46 4.685 4.558 0.127 1
1 484 . 12 1 1 A 46 46 LEU C C 46 174.366 174.712 -0.346 1
1 485 . 12 1 1 A 46 46 LEU CA C 46 52.235 52.631 -0.396 1
1 486 . 12 1 1 A 46 46 LEU CB C 46 43.285 41.467 1.818 1
1 490 . 12 1 1 A 46 46 LEU N N 46 121.722 122.251 -0.529 1
1 491 . 12 1 1 A 47 47 PRO HA H 47 4.542 4.568 -0.026 1
1 497 . 12 1 1 A 47 47 PRO C C 47 178.542 176.599 1.943 1
1 498 . 12 1 1 A 47 47 PRO CA C 47 62.000 62.343 -0.343 1
1 499 . 12 1 1 A 47 47 PRO CB C 47 32.731 33.475 -0.744 1
1 502 . 12 1 1 A 48 48 GLN H H 48 9.124 8.659 0.465 1
1 503 . 12 1 1 A 48 48 GLN HA H 48 3.629 4.071 -0.442 1
1 510 . 12 1 1 A 48 48 GLN C C 48 178.080 178.337 -0.257 1
1 511 . 12 1 1 A 48 48 GLN CA C 48 60.872 58.462 2.410 1
1 512 . 12 1 1 A 48 48 GLN CB C 48 28.455 28.723 -0.268 1
1 514 . 12 1 1 A 48 48 GLN N N 48 123.862 120.513 3.349 1
1 516 . 12 1 1 A 49 49 LYS H H 49 8.912 8.089 0.823 1
1 517 . 12 1 1 A 49 49 LYS HA H 49 3.969 4.145 -0.176 1
1 524 . 12 1 1 A 49 49 LYS C C 49 178.954 179.237 -0.283 1
1 525 . 12 1 1 A 49 49 LYS CA C 49 59.955 59.206 0.749 1
1 526 . 12 1 1 A 49 49 LYS CB C 49 32.327 32.139 0.188 1
1 530 . 12 1 1 A 49 49 LYS N N 49 116.406 119.174 -2.768 1
1 531 . 12 1 1 A 50 50 VAL H H 50 6.874 7.839 -0.965 1
1 532 . 12 1 1 A 50 50 VAL HA H 50 3.835 3.646 0.189 1
1 540 . 12 1 1 A 50 50 VAL C C 50 178.299 178.747 -0.448 1
1 541 . 12 1 1 A 50 50 VAL CA C 50 65.560 66.459 -0.899 1
1 542 . 12 1 1 A 50 50 VAL CB C 50 32.080 31.529 0.551 1
1 545 . 12 1 1 A 50 50 VAL N N 50 119.065 120.290 -1.225 1
1 546 . 12 1 1 A 51 51 ILE H H 51 7.503 7.981 -0.478 1
1 547 . 12 1 1 A 51 51 ILE HA H 51 3.672 3.676 -0.004 1
1 557 . 12 1 1 A 51 51 ILE C C 51 178.007 178.214 -0.207 1
1 558 . 12 1 1 A 51 51 ILE CA C 51 66.019 65.675 0.344 1
1 559 . 12 1 1 A 51 51 ILE CB C 51 38.081 37.686 0.395 1
1 563 . 12 1 1 A 51 51 ILE N N 51 121.254 120.774 0.480 1
1 564 . 12 1 1 A 52 52 LYS H H 52 8.596 7.962 0.634 1
1 565 . 12 1 1 A 52 52 LYS HA H 52 3.984 4.090 -0.106 1
1 572 . 12 1 1 A 52 52 LYS C C 52 179.302 179.241 0.061 1
1 573 . 12 1 1 A 52 52 LYS CA C 52 60.978 59.451 1.527 1
1 574 . 12 1 1 A 52 52 LYS CB C 52 32.574 32.368 0.206 1
1 578 . 12 1 1 A 52 52 LYS N N 52 118.531 119.722 -1.191 1
1 579 . 12 1 1 A 53 53 HIS H H 53 7.952 8.255 -0.303 1
1 580 . 12 1 1 A 53 53 HIS HA H 53 4.324 4.375 -0.051 1
1 585 . 12 1 1 A 53 53 HIS C C 53 177.085 177.134 -0.049 1
1 586 . 12 1 1 A 53 53 HIS CA C 53 60.026 58.968 1.058 1
1 587 . 12 1 1 A 53 53 HIS CB C 53 30.867 30.446 0.421 1
1 590 . 12 1 1 A 53 53 HIS N N 53 118.728 119.494 -0.766 1
1 591 . 12 1 1 A 54 54 TRP H H 54 8.614 8.490 0.124 1
1 592 . 12 1 1 A 54 54 TRP HA H 54 4.048 4.346 -0.298 1
1 601 . 12 1 1 A 54 54 TRP C C 54 180.144 178.415 1.729 1
1 602 . 12 1 1 A 54 54 TRP CA C 54 62.916 61.259 1.657 1
1 603 . 12 1 1 A 54 54 TRP CB C 54 28.766 29.817 -1.051 1
1 609 . 12 1 1 A 54 54 TRP N N 54 121.845 121.481 0.364 1
1 611 . 12 1 1 A 55 55 PHE H H 55 9.035 8.558 0.477 1
1 612 . 12 1 1 A 55 55 PHE HA H 55 3.786 4.273 -0.487 1
1 620 . 12 1 1 A 55 55 PHE C C 55 178.129 178.147 -0.018 1
1 621 . 12 1 1 A 55 55 PHE CA C 55 63.617 62.635 0.982 1
1 622 . 12 1 1 A 55 55 PHE CB C 55 39.260 38.406 0.854 1
1 628 . 12 1 1 A 55 55 PHE N N 55 120.180 118.173 2.007 1
1 629 . 12 1 1 A 56 56 ARG H H 56 7.962 8.356 -0.394 1
1 630 . 12 1 1 A 56 56 ARG HA H 56 4.095 3.997 0.098 1
1 636 . 12 1 1 A 56 56 ARG C C 56 178.444 178.059 0.385 1
1 637 . 12 1 1 A 56 56 ARG CA C 56 59.356 59.629 -0.273 1
1 638 . 12 1 1 A 56 56 ARG CB C 56 30.087 29.772 0.315 1
1 641 . 12 1 1 A 56 56 ARG N N 56 118.370 120.168 -1.798 1
1 642 . 12 1 1 A 57 57 ASN H H 57 8.194 8.343 -0.149 1
1 643 . 12 1 1 A 57 57 ASN HA H 57 4.401 4.251 0.150 1
1 648 . 12 1 1 A 57 57 ASN C C 57 176.866 177.783 -0.917 1
1 649 . 12 1 1 A 57 57 ASN CA C 57 55.497 56.220 -0.723 1
1 650 . 12 1 1 A 57 57 ASN CB C 57 38.640 38.443 0.197 1
1 651 . 12 1 1 A 57 57 ASN N N 57 117.190 117.558 -0.368 1
1 653 . 12 1 1 A 58 58 THR H H 58 7.999 7.822 0.177 1
1 654 . 12 1 1 A 58 58 THR HA H 58 3.426 3.624 -0.198 1
1 659 . 12 1 1 A 58 58 THR C C 58 175.361 175.968 -0.607 1
1 660 . 12 1 1 A 58 58 THR CA C 58 65.801 66.794 -0.993 1
1 661 . 12 1 1 A 58 58 THR CB C 58 68.064 67.873 0.191 1
1 663 . 12 1 1 A 58 58 THR N N 58 117.859 115.260 2.599 1
1 664 . 12 1 1 A 59 59 LEU H H 59 7.950 8.252 -0.302 1
1 665 . 12 1 1 A 59 59 LEU HA H 59 4.127 4.169 -0.042 1
1 674 . 12 1 1 A 59 59 LEU C C 59 177.886 178.911 -1.025 1
1 675 . 12 1 1 A 59 59 LEU CA C 59 57.628 58.596 -0.968 1
1 676 . 12 1 1 A 59 59 LEU CB C 59 42.296 42.032 0.264 1
1 680 . 12 1 1 A 59 59 LEU N N 59 122.280 121.461 0.819 1
1 681 . 12 1 1 A 60 60 PHE H H 60 7.797 8.911 -1.114 1
1 682 . 12 1 1 A 60 60 PHE HA H 60 4.309 4.017 0.292 1
1 690 . 12 1 1 A 60 60 PHE C C 60 177.085 177.302 -0.217 1
1 691 . 12 1 1 A 60 60 PHE CA C 60 59.920 61.708 -1.788 1
1 692 . 12 1 1 A 60 60 PHE CB C 60 38.918 39.411 -0.493 1
1 698 . 12 1 1 A 60 60 PHE N N 60 118.008 119.603 -1.595 1
1 699 . 12 1 1 A 61 61 LYS H H 61 7.839 8.148 -0.309 1
1 700 . 12 1 1 A 61 61 LYS HA H 61 4.007 4.183 -0.176 1
1 707 . 12 1 1 A 61 61 LYS C C 61 178.032 178.982 -0.950 1
1 708 . 12 1 1 A 61 61 LYS CA C 61 58.016 58.736 -0.720 1
1 709 . 12 1 1 A 61 61 LYS CB C 61 32.657 32.527 0.130 1
1 713 . 12 1 1 A 61 61 LYS N N 61 119.447 118.365 1.082 1
1 714 . 12 1 1 A 62 62 GLU H H 62 8.139 8.314 -0.175 1
1 715 . 12 1 1 A 62 62 GLU HA H 62 4.146 4.082 0.064 1
1 720 . 12 1 1 A 62 62 GLU C C 62 177.595 179.488 -1.893 1
1 721 . 12 1 1 A 62 62 GLU CA C 62 57.699 59.425 -1.726 1
1 722 . 12 1 1 A 62 62 GLU CB C 62 29.608 29.385 0.223 1
1 724 . 12 1 1 A 62 62 GLU N N 62 119.302 120.029 -0.727 1
1 725 . 12 1 1 A 63 63 ARG H H 63 8.015 8.163 -0.148 1
1 726 . 12 1 1 A 63 63 ARG HA H 63 4.258 4.114 0.144 1
1 732 . 12 1 1 A 63 63 ARG C C 63 176.769 176.549 0.220 1
1 733 . 12 1 1 A 63 63 ARG CA C 63 56.677 59.511 -2.834 1
1 734 . 12 1 1 A 63 63 ARG CB C 63 30.514 30.061 0.453 1
1 737 . 12 1 1 A 63 63 ARG N N 63 119.598 119.756 -0.158 1
1 738 . 12 1 1 A 64 64 GLN H H 64 8.058 7.031 1.027 1
1 739 . 12 1 1 A 64 64 GLN HA H 64 4.242 4.323 -0.081 1
1 745 . 12 1 1 A 64 64 GLN C C 64 176.114 174.825 1.289 1
1 746 . 12 1 1 A 64 64 GLN CA C 64 56.148 55.249 0.899 1
1 747 . 12 1 1 A 64 64 GLN CB C 64 29.258 30.174 -0.916 1
1 749 . 12 1 1 A 64 64 GLN N N 64 120.027 117.669 2.358 1
1 751 . 12 1 1 A 65 65 SER H H 65 8.172 8.607 -0.435 1
1 752 . 12 1 1 A 65 65 SER HA H 65 4.457 4.974 -0.517 1
1 755 . 12 1 1 A 65 65 SER C C 65 174.487 174.088 0.399 1
1 756 . 12 1 1 A 65 65 SER CA C 65 58.404 56.815 1.589 1
1 757 . 12 1 1 A 65 65 SER CB C 65 63.965 66.068 -2.103 1
1 758 . 12 1 1 A 65 65 SER N N 65 116.070 113.981 2.089 1
1 759 . 12 1 1 A 66 66 GLY H H 66 8.170 8.728 -0.558 1
1 760 . 12 1 1 A 66 66 GLY HA2 H 66 4.141 4.029 0.112 1
1 761 . 12 1 1 A 66 66 GLY HA3 H 66 4.082 4.031 0.051 1
1 762 . 12 1 1 A 66 66 GLY C C 66 171.768 174.267 -2.499 1
1 763 . 12 1 1 A 66 66 GLY CA C 66 44.620 46.347 -1.727 1
1 764 . 12 1 1 A 66 66 GLY N N 66 110.579 115.052 -4.473 1
1 765 . 12 1 1 A 67 67 PRO HA H 67 4.453 4.515 -0.062 1
1 770 . 12 1 1 A 67 67 PRO C C 67 177.400 176.121 1.279 1
1 771 . 12 1 1 A 67 67 PRO CA C 67 63.198 62.618 0.580 1
1 772 . 12 1 1 A 67 67 PRO CB C 67 32.171 33.268 -1.097 1
1 775 . 12 1 1 A 68 68 SER H H 68 8.525 8.324 0.201 1
1 776 . 12 1 1 A 68 68 SER HA H 68 4.490 4.571 -0.081 1
1 779 . 12 1 1 A 68 68 SER C C 68 174.657 174.572 0.085 1
1 780 . 12 1 1 A 68 68 SER CA C 68 58.589 58.648 -0.059 1
1 781 . 12 1 1 A 68 68 SER CB C 68 63.800 64.097 -0.297 1
1 782 . 12 1 1 A 68 68 SER N N 68 116.415 112.139 4.276 1
1 783 . 12 1 1 A 69 69 SER H H 69 8.316 8.032 0.284 1
1 784 . 12 1 1 A 69 69 SER HA H 69 4.467 4.767 -0.300 1
1 787 . 12 1 1 A 69 69 SER C C 69 173.953 173.936 0.017 1
1 788 . 12 1 1 A 69 69 SER CA C 69 58.369 57.203 1.166 1
1 789 . 12 1 1 A 69 69 SER CB C 69 64.047 65.758 -1.711 1
1 790 . 12 1 1 A 69 69 SER N N 69 117.832 112.979 4.853 1
1 1 . 13 1 1 A 7 7 GLY H H 7 8.499 8.066 0.433 1
1 2 . 13 1 1 A 7 7 GLY HA2 H 7 3.948 3.945 0.003 1
1 3 . 13 1 1 A 7 7 GLY HA3 H 7 3.948 3.945 0.003 1
1 4 . 13 1 1 A 7 7 GLY C C 7 173.949 175.054 -1.105 1
1 5 . 13 1 1 A 7 7 GLY CA C 7 45.325 46.642 -1.317 1
1 6 . 13 1 1 A 8 8 LYS H H 8 8.116 8.736 -0.620 1
1 7 . 13 1 1 A 8 8 LYS HA H 8 4.308 3.773 0.535 1
1 14 . 13 1 1 A 8 8 LYS C C 8 176.504 174.870 1.634 1
1 15 . 13 1 1 A 8 8 LYS CA C 8 56.113 57.381 -1.268 1
1 16 . 13 1 1 A 8 8 LYS CB C 8 33.151 29.558 3.593 1
1 20 . 13 1 1 A 8 8 LYS N N 8 120.734 121.505 -0.771 1
1 21 . 13 1 1 A 9 9 ARG H H 9 8.362 7.634 0.728 1
1 22 . 13 1 1 A 9 9 ARG HA H 9 4.590 4.828 -0.238 1
1 27 . 13 1 1 A 9 9 ARG C C 9 176.479 173.529 2.950 1
1 28 . 13 1 1 A 9 9 ARG CA C 9 53.962 52.894 1.068 1
1 29 . 13 1 1 A 9 9 ARG CB C 9 30.103 32.081 -1.978 1
1 32 . 13 1 1 A 9 9 ARG N N 9 123.609 117.788 5.821 1
1 33 . 13 1 1 A 10 10 PRO HA H 10 4.419 4.630 -0.211 1
1 39 . 13 1 1 A 10 10 PRO C C 10 176.796 175.402 1.394 1
1 40 . 13 1 1 A 10 10 PRO CA C 10 62.987 62.718 0.269 1
1 41 . 13 1 1 A 10 10 PRO CB C 10 32.080 32.648 -0.568 1
1 44 . 13 1 1 A 11 11 ARG H H 11 8.517 8.478 0.039 1
1 45 . 13 1 1 A 11 11 ARG C C 11 176.551 175.284 1.267 1
1 46 . 13 1 1 A 11 11 ARG CA C 11 56.077 55.083 0.994 1
1 47 . 13 1 1 A 11 11 ARG CB C 11 30.762 31.349 -0.587 1
1 48 . 13 1 1 A 11 11 ARG N N 11 121.931 122.063 -0.132 1
1 49 . 13 1 1 A 12 12 THR HA H 12 4.260 4.599 -0.339 1
1 54 . 13 1 1 A 12 12 THR C C 12 173.904 174.500 -0.596 1
1 55 . 13 1 1 A 12 12 THR CA C 12 62.218 62.153 0.065 1
1 56 . 13 1 1 A 12 12 THR CB C 12 69.843 67.540 2.303 1
1 58 . 13 1 1 A 13 13 ARG H H 13 8.434 8.456 -0.022 1
1 59 . 13 1 1 A 13 13 ARG HA H 13 4.381 4.376 0.005 1
1 65 . 13 1 1 A 13 13 ARG C C 13 175.336 176.443 -1.107 1
1 66 . 13 1 1 A 13 13 ARG CA C 13 55.972 56.476 -0.504 1
1 67 . 13 1 1 A 13 13 ARG CB C 13 31.059 30.667 0.392 1
1 70 . 13 1 1 A 13 13 ARG N N 13 125.368 127.629 -2.261 1
1 71 . 13 1 1 A 14 14 ILE H H 14 8.179 8.355 -0.176 1
1 72 . 13 1 1 A 14 14 ILE HA H 14 4.268 4.112 0.156 1
1 82 . 13 1 1 A 14 14 ILE C C 14 176.844 177.115 -0.271 1
1 83 . 13 1 1 A 14 14 ILE CA C 14 61.647 61.691 -0.044 1
1 84 . 13 1 1 A 14 14 ILE CB C 14 39.248 38.121 1.127 1
1 88 . 13 1 1 A 14 14 ILE N N 14 123.951 125.318 -1.367 1
1 89 . 13 1 1 A 15 15 THR H H 15 8.922 8.299 0.623 1
1 90 . 13 1 1 A 15 15 THR HA H 15 4.386 4.717 -0.331 1
1 95 . 13 1 1 A 15 15 THR C C 15 175.263 175.466 -0.203 1
1 96 . 13 1 1 A 15 15 THR CA C 15 61.402 60.366 1.036 1
1 97 . 13 1 1 A 15 15 THR CB C 15 70.796 71.670 -0.874 1
1 99 . 13 1 1 A 15 15 THR N N 15 119.222 117.485 1.737 1
1 100 . 13 1 1 A 16 16 ASP H H 16 8.951 8.948 0.003 1
1 101 . 13 1 1 A 16 16 ASP HA H 16 4.353 4.320 0.033 1
1 104 . 13 1 1 A 16 16 ASP C C 16 178.888 177.953 0.935 1
1 105 . 13 1 1 A 16 16 ASP CA C 16 58.016 57.473 0.543 1
1 106 . 13 1 1 A 16 16 ASP CB C 16 40.154 40.559 -0.405 1
1 107 . 13 1 1 A 16 16 ASP N N 16 120.852 121.679 -0.827 1
1 108 . 13 1 1 A 17 17 ASP H H 17 8.387 8.222 0.165 1
1 109 . 13 1 1 A 17 17 ASP HA H 17 4.361 4.360 0.001 1
1 112 . 13 1 1 A 17 17 ASP C C 17 178.815 178.415 0.400 1
1 113 . 13 1 1 A 17 17 ASP CA C 17 57.311 56.763 0.548 1
1 114 . 13 1 1 A 17 17 ASP CB C 17 40.649 40.278 0.371 1
1 115 . 13 1 1 A 17 17 ASP N N 17 118.488 119.608 -1.120 1
1 116 . 13 1 1 A 18 18 GLN H H 18 7.561 7.432 0.129 1
1 117 . 13 1 1 A 18 18 GLN HA H 18 3.844 4.225 -0.381 1
1 124 . 13 1 1 A 18 18 GLN C C 18 177.988 178.243 -0.255 1
1 125 . 13 1 1 A 18 18 GLN CA C 18 58.933 57.785 1.148 1
1 126 . 13 1 1 A 18 18 GLN CB C 18 28.702 29.221 -0.519 1
1 128 . 13 1 1 A 18 18 GLN N N 18 119.852 119.374 0.478 1
1 130 . 13 1 1 A 19 19 LEU H H 19 8.538 8.181 0.357 1
1 131 . 13 1 1 A 19 19 LEU HA H 19 3.549 3.716 -0.167 1
1 141 . 13 1 1 A 19 19 LEU C C 19 178.202 178.074 0.128 1
1 142 . 13 1 1 A 19 19 LEU CA C 19 57.593 57.949 -0.356 1
1 143 . 13 1 1 A 19 19 LEU CB C 19 41.720 41.775 -0.055 1
1 147 . 13 1 1 A 19 19 LEU N N 19 120.203 121.415 -1.212 1
1 148 . 13 1 1 A 20 20 ARG H H 20 7.644 8.327 -0.683 1
1 149 . 13 1 1 A 20 20 ARG HA H 20 3.893 4.123 -0.230 1
1 155 . 13 1 1 A 20 20 ARG C C 20 179.148 178.157 0.991 1
1 156 . 13 1 1 A 20 20 ARG CA C 20 59.744 58.863 0.881 1
1 157 . 13 1 1 A 20 20 ARG CB C 20 29.855 29.867 -0.012 1
1 160 . 13 1 1 A 20 20 ARG N N 20 117.442 117.914 -0.472 1
1 161 . 13 1 1 A 21 21 VAL H H 21 7.074 7.797 -0.723 1
1 162 . 13 1 1 A 21 21 VAL HA H 21 3.726 3.707 0.019 1
1 170 . 13 1 1 A 21 21 VAL C C 21 177.643 178.253 -0.610 1
1 171 . 13 1 1 A 21 21 VAL CA C 21 66.098 66.022 0.076 1
1 172 . 13 1 1 A 21 21 VAL CB C 21 31.750 31.758 -0.008 1
1 175 . 13 1 1 A 21 21 VAL N N 21 118.796 120.676 -1.880 1
1 176 . 13 1 1 A 22 22 LEU H H 22 7.620 8.133 -0.513 1
1 177 . 13 1 1 A 22 22 LEU HA H 22 3.947 3.949 -0.002 1
1 187 . 13 1 1 A 22 22 LEU C C 22 178.979 178.961 0.018 1
1 188 . 13 1 1 A 22 22 LEU CA C 22 58.369 57.394 0.975 1
1 189 . 13 1 1 A 22 22 LEU CB C 22 38.869 40.560 -1.691 1
1 193 . 13 1 1 A 22 22 LEU N N 22 119.184 119.323 -0.139 1
1 194 . 13 1 1 A 23 23 ARG H H 23 8.451 8.394 0.057 1
1 195 . 13 1 1 A 23 23 ARG HA H 23 4.054 4.159 -0.105 1
1 202 . 13 1 1 A 23 23 ARG C C 23 178.177 179.565 -1.388 1
1 203 . 13 1 1 A 23 23 ARG CA C 23 59.157 59.566 -0.409 1
1 204 . 13 1 1 A 23 23 ARG CB C 23 29.772 30.318 -0.546 1
1 207 . 13 1 1 A 23 23 ARG N N 23 116.571 119.756 -3.185 1
1 208 . 13 1 1 A 24 24 GLN H H 24 7.749 8.611 -0.862 1
1 209 . 13 1 1 A 24 24 GLN HA H 24 4.129 4.027 0.102 1
1 216 . 13 1 1 A 24 24 GLN C C 24 179.100 178.587 0.513 1
1 217 . 13 1 1 A 24 24 GLN CA C 24 58.827 59.019 -0.192 1
1 218 . 13 1 1 A 24 24 GLN CB C 24 28.290 28.192 0.098 1
1 220 . 13 1 1 A 24 24 GLN N N 24 118.256 118.908 -0.652 1
1 222 . 13 1 1 A 25 25 TYR H H 25 7.902 7.817 0.085 1
1 223 . 13 1 1 A 25 25 TYR HA H 25 4.295 4.356 -0.061 1
1 230 . 13 1 1 A 25 25 TYR C C 25 178.080 178.551 -0.471 1
1 231 . 13 1 1 A 25 25 TYR CA C 25 61.506 60.766 0.740 1
1 232 . 13 1 1 A 25 25 TYR CB C 25 39.001 37.992 1.009 1
1 237 . 13 1 1 A 25 25 TYR N N 25 117.374 120.471 -3.097 1
1 238 . 13 1 1 A 26 26 PHE H H 26 8.935 8.316 0.619 1
1 239 . 13 1 1 A 26 26 PHE HA H 26 4.366 4.478 -0.112 1
1 247 . 13 1 1 A 26 26 PHE C C 26 175.847 176.712 -0.865 1
1 248 . 13 1 1 A 26 26 PHE CA C 26 61.452 61.948 -0.496 1
1 249 . 13 1 1 A 26 26 PHE CB C 26 39.538 39.375 0.163 1
1 255 . 13 1 1 A 27 27 ASP H H 27 8.138 8.202 -0.064 1
1 256 . 13 1 1 A 27 27 ASP HA H 27 4.407 4.347 0.060 1
1 259 . 13 1 1 A 27 27 ASP C C 27 177.546 178.531 -0.985 1
1 260 . 13 1 1 A 27 27 ASP CA C 27 56.007 57.518 -1.511 1
1 261 . 13 1 1 A 27 27 ASP CB C 27 40.813 41.561 -0.748 1
1 262 . 13 1 1 A 27 27 ASP N N 27 116.760 118.665 -1.905 1
1 263 . 13 1 1 A 28 28 ILE H H 28 7.463 7.220 0.243 1
1 264 . 13 1 1 A 28 28 ILE HA H 28 3.945 3.760 0.185 1
1 274 . 13 1 1 A 28 28 ILE C C 28 176.260 176.290 -0.030 1
1 275 . 13 1 1 A 28 28 ILE CA C 28 62.881 64.880 -1.999 1
1 276 . 13 1 1 A 28 28 ILE CB C 28 38.836 38.005 0.831 1
1 280 . 13 1 1 A 28 28 ILE N N 28 119.169 118.889 0.280 1
1 281 . 13 1 1 A 29 29 ASN H H 29 8.214 8.288 -0.074 1
1 282 . 13 1 1 A 29 29 ASN HA H 29 4.620 5.059 -0.439 1
1 287 . 13 1 1 A 29 29 ASN C C 29 173.633 175.611 -1.978 1
1 288 . 13 1 1 A 29 29 ASN CA C 29 53.081 51.447 1.634 1
1 289 . 13 1 1 A 29 29 ASN CB C 29 39.330 41.414 -2.084 1
1 290 . 13 1 1 A 29 29 ASN N N 29 117.989 115.743 2.246 1
1 292 . 13 1 1 A 30 30 ASN H H 30 8.383 8.588 -0.205 1
1 293 . 13 1 1 A 30 30 ASN HA H 30 4.231 3.962 0.269 1
1 298 . 13 1 1 A 30 30 ASN C C 30 174.338 175.704 -1.366 1
1 299 . 13 1 1 A 30 30 ASN CA C 30 53.610 56.730 -3.120 1
1 300 . 13 1 1 A 30 30 ASN CB C 30 38.836 38.392 0.444 1
1 301 . 13 1 1 A 30 30 ASN N N 30 120.522 122.384 -1.862 1
1 303 . 13 1 1 A 31 31 SER H H 31 7.941 7.898 0.043 1
1 304 . 13 1 1 A 31 31 SER HA H 31 4.795 4.860 -0.065 1
1 307 . 13 1 1 A 31 31 SER C C 31 174.387 172.720 1.667 1
1 308 . 13 1 1 A 31 31 SER CA C 31 54.843 55.308 -0.465 1
1 309 . 13 1 1 A 31 31 SER CB C 31 63.553 64.219 -0.666 1
1 310 . 13 1 1 A 31 31 SER N N 31 112.907 111.071 1.836 1
1 311 . 13 1 1 A 32 32 PRO HA H 32 4.437 4.794 -0.357 1
1 318 . 13 1 1 A 32 32 PRO C C 32 176.844 176.134 0.710 1
1 319 . 13 1 1 A 32 32 PRO CA C 32 62.180 62.163 0.017 1
1 320 . 13 1 1 A 32 32 PRO CB C 32 32.380 32.059 0.321 1
1 323 . 13 1 1 A 33 33 SER H H 33 8.658 8.700 -0.042 1
1 324 . 13 1 1 A 33 33 SER HA H 33 4.462 4.794 -0.332 1
1 327 . 13 1 1 A 33 33 SER C C 33 175.068 175.799 -0.731 1
1 328 . 13 1 1 A 33 33 SER CA C 33 56.539 56.291 0.248 1
1 329 . 13 1 1 A 33 33 SER CB C 33 65.613 66.287 -0.674 1
1 330 . 13 1 1 A 33 33 SER N N 33 117.201 114.255 2.946 1
1 331 . 13 1 1 A 34 34 GLU H H 34 8.983 9.208 -0.225 1
1 332 . 13 1 1 A 34 34 GLU HA H 34 3.885 3.965 -0.080 1
1 337 . 13 1 1 A 34 34 GLU C C 34 179.464 178.444 1.020 1
1 338 . 13 1 1 A 34 34 GLU CA C 34 59.990 59.327 0.663 1
1 339 . 13 1 1 A 34 34 GLU CB C 34 29.031 29.115 -0.084 1
1 341 . 13 1 1 A 34 34 GLU N N 34 120.557 121.358 -0.801 1
1 342 . 13 1 1 A 35 35 GLU H H 35 8.672 7.967 0.705 1
1 343 . 13 1 1 A 35 35 GLU HA H 35 3.989 4.087 -0.098 1
1 348 . 13 1 1 A 35 35 GLU C C 35 179.440 178.960 0.480 1
1 349 . 13 1 1 A 35 35 GLU CA C 35 60.096 59.177 0.919 1
1 350 . 13 1 1 A 35 35 GLU CB C 35 28.949 29.662 -0.713 1
1 352 . 13 1 1 A 35 35 GLU N N 35 119.112 120.095 -0.983 1
1 353 . 13 1 1 A 36 36 GLN H H 36 7.705 8.101 -0.396 1
1 354 . 13 1 1 A 36 36 GLN HA H 36 4.012 4.053 -0.041 1
1 360 . 13 1 1 A 36 36 GLN C C 36 178.372 178.229 0.143 1
1 361 . 13 1 1 A 36 36 GLN CA C 36 58.968 58.332 0.636 1
1 362 . 13 1 1 A 36 36 GLN CB C 36 28.290 28.369 -0.079 1
1 364 . 13 1 1 A 36 36 GLN N N 36 120.638 119.051 1.587 1
1 366 . 13 1 1 A 37 37 ILE H H 37 8.308 8.476 -0.168 1
1 367 . 13 1 1 A 37 37 ILE HA H 37 3.474 3.672 -0.198 1
1 377 . 13 1 1 A 37 37 ILE C C 37 177.400 178.555 -1.155 1
1 378 . 13 1 1 A 37 37 ILE CA C 37 65.173 64.596 0.577 1
1 379 . 13 1 1 A 37 37 ILE CB C 37 36.447 37.775 -1.328 1
1 383 . 13 1 1 A 37 37 ILE N N 37 121.515 120.308 1.207 1
1 384 . 13 1 1 A 38 38 LYS H H 38 7.808 7.796 0.012 1
1 385 . 13 1 1 A 38 38 LYS HA H 38 3.803 4.033 -0.230 1
1 393 . 13 1 1 A 38 38 LYS C C 38 178.153 178.897 -0.744 1
1 394 . 13 1 1 A 38 38 LYS CA C 38 60.096 59.052 1.044 1
1 395 . 13 1 1 A 38 38 LYS CB C 38 31.833 32.513 -0.680 1
1 399 . 13 1 1 A 38 38 LYS N N 38 120.672 122.372 -1.700 1
1 400 . 13 1 1 A 39 39 GLU H H 39 7.719 8.074 -0.355 1
1 401 . 13 1 1 A 39 39 GLU HA H 39 4.089 4.055 0.034 1
1 406 . 13 1 1 A 39 39 GLU C C 39 179.278 178.545 0.733 1
1 407 . 13 1 1 A 39 39 GLU CA C 39 59.522 59.230 0.292 1
1 408 . 13 1 1 A 39 39 GLU CB C 39 29.773 29.041 0.732 1
1 410 . 13 1 1 A 39 39 GLU N N 39 119.510 117.753 1.757 1
1 411 . 13 1 1 A 40 40 MET H H 40 8.167 8.509 -0.342 1
1 412 . 13 1 1 A 40 40 MET HA H 40 3.599 4.143 -0.544 1
1 420 . 13 1 1 A 40 40 MET C C 40 179.813 178.348 1.465 1
1 421 . 13 1 1 A 40 40 MET CA C 40 59.533 58.636 0.897 1
1 422 . 13 1 1 A 40 40 MET CB C 40 35.410 33.041 2.369 1
1 425 . 13 1 1 A 40 40 MET N N 40 117.312 118.977 -1.665 1
1 426 . 13 1 1 A 41 41 ALA H H 41 8.689 7.850 0.839 1
1 427 . 13 1 1 A 41 41 ALA HA H 41 4.102 4.335 -0.233 1
1 431 . 13 1 1 A 41 41 ALA C C 41 179.610 179.054 0.556 1
1 432 . 13 1 1 A 41 41 ALA CA C 41 55.866 54.967 0.899 1
1 433 . 13 1 1 A 41 41 ALA CB C 41 18.609 18.526 0.083 1
1 434 . 13 1 1 A 41 41 ALA N N 41 128.620 121.361 7.259 1
1 435 . 13 1 1 A 42 42 ASP H H 42 8.324 7.140 1.184 1
1 436 . 13 1 1 A 42 42 ASP HA H 42 4.306 4.606 -0.300 1
1 439 . 13 1 1 A 42 42 ASP C C 42 179.003 178.432 0.571 1
1 440 . 13 1 1 A 42 42 ASP CA C 42 57.241 56.247 0.994 1
1 441 . 13 1 1 A 42 42 ASP CB C 42 40.319 41.536 -1.217 1
1 442 . 13 1 1 A 42 42 ASP N N 42 120.159 117.886 2.273 1
1 443 . 13 1 1 A 43 43 LYS H H 43 8.036 7.729 0.307 1
1 444 . 13 1 1 A 43 43 LYS HA H 43 4.155 4.055 0.100 1
1 452 . 13 1 1 A 43 43 LYS C C 43 178.105 178.222 -0.117 1
1 453 . 13 1 1 A 43 43 LYS CA C 43 58.580 58.835 -0.255 1
1 454 . 13 1 1 A 43 43 LYS CB C 43 33.893 32.254 1.639 1
1 458 . 13 1 1 A 43 43 LYS N N 43 116.586 119.090 -2.504 1
1 459 . 13 1 1 A 44 44 SER H H 44 8.314 8.267 0.047 1
1 460 . 13 1 1 A 44 44 SER HA H 44 4.486 4.562 -0.076 1
1 463 . 13 1 1 A 44 44 SER C C 44 175.458 175.477 -0.019 1
1 464 . 13 1 1 A 44 44 SER CA C 44 59.955 58.664 1.291 1
1 465 . 13 1 1 A 44 44 SER CB C 44 66.025 65.177 0.848 1
1 466 . 13 1 1 A 44 44 SER N N 44 111.140 110.581 0.559 1
1 467 . 13 1 1 A 45 45 GLY H H 45 8.249 8.090 0.159 1
1 468 . 13 1 1 A 45 45 GLY HA2 H 45 3.872 4.022 -0.150 1
1 469 . 13 1 1 A 45 45 GLY HA3 H 45 4.233 4.023 0.210 1
1 470 . 13 1 1 A 45 45 GLY C C 45 174.317 174.034 0.283 1
1 471 . 13 1 1 A 45 45 GLY CA C 45 45.889 44.845 1.044 1
1 472 . 13 1 1 A 45 45 GLY N N 45 112.770 110.702 2.068 1
1 473 . 13 1 1 A 46 46 LEU H H 46 7.800 7.571 0.229 1
1 474 . 13 1 1 A 46 46 LEU HA H 46 4.685 4.580 0.105 1
1 484 . 13 1 1 A 46 46 LEU C C 46 174.366 174.787 -0.421 1
1 485 . 13 1 1 A 46 46 LEU CA C 46 52.235 52.284 -0.049 1
1 486 . 13 1 1 A 46 46 LEU CB C 46 43.285 41.659 1.626 1
1 490 . 13 1 1 A 46 46 LEU N N 46 121.722 121.905 -0.183 1
1 491 . 13 1 1 A 47 47 PRO HA H 47 4.542 4.559 -0.017 1
1 497 . 13 1 1 A 47 47 PRO C C 47 178.542 176.576 1.966 1
1 498 . 13 1 1 A 47 47 PRO CA C 47 62.000 62.322 -0.322 1
1 499 . 13 1 1 A 47 47 PRO CB C 47 32.731 33.438 -0.707 1
1 502 . 13 1 1 A 48 48 GLN H H 48 9.124 8.651 0.473 1
1 503 . 13 1 1 A 48 48 GLN HA H 48 3.629 4.083 -0.454 1
1 510 . 13 1 1 A 48 48 GLN C C 48 178.080 177.922 0.158 1
1 511 . 13 1 1 A 48 48 GLN CA C 48 60.872 58.160 2.712 1
1 512 . 13 1 1 A 48 48 GLN CB C 48 28.455 28.468 -0.013 1
1 514 . 13 1 1 A 48 48 GLN N N 48 123.862 120.503 3.359 1
1 516 . 13 1 1 A 49 49 LYS H H 49 8.912 7.993 0.919 1
1 517 . 13 1 1 A 49 49 LYS HA H 49 3.969 4.114 -0.145 1
1 524 . 13 1 1 A 49 49 LYS C C 49 178.954 179.072 -0.118 1
1 525 . 13 1 1 A 49 49 LYS CA C 49 59.955 59.252 0.703 1
1 526 . 13 1 1 A 49 49 LYS CB C 49 32.327 32.048 0.279 1
1 530 . 13 1 1 A 49 49 LYS N N 49 116.406 118.746 -2.340 1
1 531 . 13 1 1 A 50 50 VAL H H 50 6.874 7.841 -0.967 1
1 532 . 13 1 1 A 50 50 VAL HA H 50 3.835 3.551 0.284 1
1 540 . 13 1 1 A 50 50 VAL C C 50 178.299 178.260 0.039 1
1 541 . 13 1 1 A 50 50 VAL CA C 50 65.560 66.268 -0.708 1
1 542 . 13 1 1 A 50 50 VAL CB C 50 32.080 31.581 0.499 1
1 545 . 13 1 1 A 50 50 VAL N N 50 119.065 120.324 -1.259 1
1 546 . 13 1 1 A 51 51 ILE H H 51 7.503 7.911 -0.408 1
1 547 . 13 1 1 A 51 51 ILE HA H 51 3.672 3.712 -0.040 1
1 557 . 13 1 1 A 51 51 ILE C C 51 178.007 178.193 -0.186 1
1 558 . 13 1 1 A 51 51 ILE CA C 51 66.019 65.623 0.396 1
1 559 . 13 1 1 A 51 51 ILE CB C 51 38.081 37.800 0.281 1
1 563 . 13 1 1 A 51 51 ILE N N 51 121.254 120.830 0.424 1
1 564 . 13 1 1 A 52 52 LYS H H 52 8.596 7.959 0.637 1
1 565 . 13 1 1 A 52 52 LYS HA H 52 3.984 4.069 -0.085 1
1 572 . 13 1 1 A 52 52 LYS C C 52 179.302 179.678 -0.376 1
1 573 . 13 1 1 A 52 52 LYS CA C 52 60.978 59.616 1.362 1
1 574 . 13 1 1 A 52 52 LYS CB C 52 32.574 32.455 0.119 1
1 578 . 13 1 1 A 52 52 LYS N N 52 118.531 119.838 -1.307 1
1 579 . 13 1 1 A 53 53 HIS H H 53 7.952 8.299 -0.347 1
1 580 . 13 1 1 A 53 53 HIS HA H 53 4.324 4.318 0.006 1
1 585 . 13 1 1 A 53 53 HIS C C 53 177.085 177.889 -0.804 1
1 586 . 13 1 1 A 53 53 HIS CA C 53 60.026 59.090 0.936 1
1 587 . 13 1 1 A 53 53 HIS CB C 53 30.867 30.047 0.820 1
1 590 . 13 1 1 A 53 53 HIS N N 53 118.728 118.416 0.312 1
1 591 . 13 1 1 A 54 54 TRP H H 54 8.614 8.469 0.145 1
1 592 . 13 1 1 A 54 54 TRP HA H 54 4.048 4.260 -0.212 1
1 601 . 13 1 1 A 54 54 TRP C C 54 180.144 178.497 1.647 1
1 602 . 13 1 1 A 54 54 TRP CA C 54 62.916 60.973 1.943 1
1 603 . 13 1 1 A 54 54 TRP CB C 54 28.766 29.628 -0.862 1
1 609 . 13 1 1 A 54 54 TRP N N 54 121.845 120.384 1.461 1
1 611 . 13 1 1 A 55 55 PHE H H 55 9.035 8.544 0.491 1
1 612 . 13 1 1 A 55 55 PHE HA H 55 3.786 4.109 -0.323 1
1 620 . 13 1 1 A 55 55 PHE C C 55 178.129 178.080 0.049 1
1 621 . 13 1 1 A 55 55 PHE CA C 55 63.617 62.605 1.012 1
1 622 . 13 1 1 A 55 55 PHE CB C 55 39.260 38.592 0.668 1
1 628 . 13 1 1 A 55 55 PHE N N 55 120.180 118.002 2.178 1
1 629 . 13 1 1 A 56 56 ARG H H 56 7.962 8.344 -0.382 1
1 630 . 13 1 1 A 56 56 ARG HA H 56 4.095 4.004 0.091 1
1 636 . 13 1 1 A 56 56 ARG C C 56 178.444 178.067 0.377 1
1 637 . 13 1 1 A 56 56 ARG CA C 56 59.356 59.631 -0.275 1
1 638 . 13 1 1 A 56 56 ARG CB C 56 30.087 29.707 0.380 1
1 641 . 13 1 1 A 56 56 ARG N N 56 118.370 120.324 -1.954 1
1 642 . 13 1 1 A 57 57 ASN H H 57 8.194 8.665 -0.471 1
1 643 . 13 1 1 A 57 57 ASN HA H 57 4.401 4.285 0.116 1
1 648 . 13 1 1 A 57 57 ASN C C 57 176.866 178.026 -1.160 1
1 649 . 13 1 1 A 57 57 ASN CA C 57 55.497 56.506 -1.009 1
1 650 . 13 1 1 A 57 57 ASN CB C 57 38.640 37.792 0.848 1
1 651 . 13 1 1 A 57 57 ASN N N 57 117.190 117.078 0.112 1
1 653 . 13 1 1 A 58 58 THR H H 58 7.999 7.535 0.464 1
1 654 . 13 1 1 A 58 58 THR HA H 58 3.426 3.706 -0.280 1
1 659 . 13 1 1 A 58 58 THR C C 58 175.361 175.586 -0.225 1
1 660 . 13 1 1 A 58 58 THR CA C 58 65.801 66.346 -0.545 1
1 661 . 13 1 1 A 58 58 THR CB C 58 68.064 68.054 0.010 1
1 663 . 13 1 1 A 58 58 THR N N 58 117.859 115.436 2.423 1
1 664 . 13 1 1 A 59 59 LEU H H 59 7.950 8.395 -0.445 1
1 665 . 13 1 1 A 59 59 LEU HA H 59 4.127 4.137 -0.010 1
1 674 . 13 1 1 A 59 59 LEU C C 59 177.886 178.751 -0.865 1
1 675 . 13 1 1 A 59 59 LEU CA C 59 57.628 58.661 -1.033 1
1 676 . 13 1 1 A 59 59 LEU CB C 59 42.296 42.067 0.229 1
1 680 . 13 1 1 A 59 59 LEU N N 59 122.280 121.390 0.890 1
1 681 . 13 1 1 A 60 60 PHE H H 60 7.797 8.650 -0.853 1
1 682 . 13 1 1 A 60 60 PHE HA H 60 4.309 4.023 0.286 1
1 690 . 13 1 1 A 60 60 PHE C C 60 177.085 177.314 -0.229 1
1 691 . 13 1 1 A 60 60 PHE CA C 60 59.920 61.857 -1.937 1
1 692 . 13 1 1 A 60 60 PHE CB C 60 38.918 39.338 -0.420 1
1 698 . 13 1 1 A 60 60 PHE N N 60 118.008 119.748 -1.740 1
1 699 . 13 1 1 A 61 61 LYS H H 61 7.839 8.039 -0.200 1
1 700 . 13 1 1 A 61 61 LYS HA H 61 4.007 3.926 0.081 1
1 707 . 13 1 1 A 61 61 LYS C C 61 178.032 178.714 -0.682 1
1 708 . 13 1 1 A 61 61 LYS CA C 61 58.016 60.054 -2.038 1
1 709 . 13 1 1 A 61 61 LYS CB C 61 32.657 32.373 0.284 1
1 713 . 13 1 1 A 61 61 LYS N N 61 119.447 118.390 1.057 1
1 714 . 13 1 1 A 62 62 GLU H H 62 8.139 8.183 -0.044 1
1 715 . 13 1 1 A 62 62 GLU HA H 62 4.146 4.003 0.143 1
1 720 . 13 1 1 A 62 62 GLU C C 62 177.595 179.234 -1.639 1
1 721 . 13 1 1 A 62 62 GLU CA C 62 57.699 59.280 -1.581 1
1 722 . 13 1 1 A 62 62 GLU CB C 62 29.608 29.594 0.014 1
1 724 . 13 1 1 A 62 62 GLU N N 62 119.302 118.454 0.848 1
1 725 . 13 1 1 A 63 63 ARG H H 63 8.015 8.082 -0.067 1
1 726 . 13 1 1 A 63 63 ARG HA H 63 4.258 4.180 0.078 1
1 732 . 13 1 1 A 63 63 ARG C C 63 176.769 176.592 0.177 1
1 733 . 13 1 1 A 63 63 ARG CA C 63 56.677 59.195 -2.518 1
1 734 . 13 1 1 A 63 63 ARG CB C 63 30.514 29.878 0.636 1
1 737 . 13 1 1 A 63 63 ARG N N 63 119.598 119.751 -0.153 1
1 738 . 13 1 1 A 64 64 GLN H H 64 8.058 7.341 0.717 1
1 739 . 13 1 1 A 64 64 GLN HA H 64 4.242 4.378 -0.136 1
1 745 . 13 1 1 A 64 64 GLN C C 64 176.114 175.614 0.500 1
1 746 . 13 1 1 A 64 64 GLN CA C 64 56.148 55.714 0.434 1
1 747 . 13 1 1 A 64 64 GLN CB C 64 29.258 29.149 0.109 1
1 749 . 13 1 1 A 64 64 GLN N N 64 120.027 117.690 2.337 1
1 751 . 13 1 1 A 65 65 SER H H 65 8.172 8.670 -0.498 1
1 752 . 13 1 1 A 65 65 SER HA H 65 4.457 5.174 -0.717 1
1 755 . 13 1 1 A 65 65 SER C C 65 174.487 173.174 1.313 1
1 756 . 13 1 1 A 65 65 SER CA C 65 58.404 56.258 2.146 1
1 757 . 13 1 1 A 65 65 SER CB C 65 63.965 66.074 -2.109 1
1 758 . 13 1 1 A 65 65 SER N N 65 116.070 115.073 0.997 1
1 759 . 13 1 1 A 66 66 GLY H H 66 8.170 8.256 -0.086 1
1 760 . 13 1 1 A 66 66 GLY HA2 H 66 4.141 4.100 0.041 1
1 761 . 13 1 1 A 66 66 GLY HA3 H 66 4.082 4.100 -0.018 1
1 762 . 13 1 1 A 66 66 GLY C C 66 171.768 173.045 -1.277 1
1 763 . 13 1 1 A 66 66 GLY CA C 66 44.620 43.956 0.664 1
1 764 . 13 1 1 A 66 66 GLY N N 66 110.579 107.699 2.880 1
1 765 . 13 1 1 A 67 67 PRO HA H 67 4.453 4.578 -0.125 1
1 770 . 13 1 1 A 67 67 PRO C C 67 177.400 176.358 1.042 1
1 771 . 13 1 1 A 67 67 PRO CA C 67 63.198 62.682 0.516 1
1 772 . 13 1 1 A 67 67 PRO CB C 67 32.171 32.445 -0.274 1
1 775 . 13 1 1 A 68 68 SER H H 68 8.525 8.480 0.045 1
1 776 . 13 1 1 A 68 68 SER HA H 68 4.490 4.607 -0.117 1
1 779 . 13 1 1 A 68 68 SER C C 68 174.657 174.150 0.507 1
1 780 . 13 1 1 A 68 68 SER CA C 68 58.589 58.389 0.200 1
1 781 . 13 1 1 A 68 68 SER CB C 68 63.800 63.663 0.137 1
1 782 . 13 1 1 A 68 68 SER N N 68 116.415 117.487 -1.072 1
1 783 . 13 1 1 A 69 69 SER H H 69 8.316 8.757 -0.441 1
1 784 . 13 1 1 A 69 69 SER HA H 69 4.467 4.651 -0.184 1
1 787 . 13 1 1 A 69 69 SER C C 69 173.953 175.732 -1.779 1
1 788 . 13 1 1 A 69 69 SER CA C 69 58.369 58.653 -0.284 1
1 789 . 13 1 1 A 69 69 SER CB C 69 64.047 64.037 0.010 1
1 790 . 13 1 1 A 69 69 SER N N 69 117.832 121.505 -3.673 1
1 1 . 14 1 1 A 7 7 GLY H H 7 8.499 7.822 0.677 1
1 2 . 14 1 1 A 7 7 GLY HA2 H 7 3.948 3.930 0.018 1
1 3 . 14 1 1 A 7 7 GLY HA3 H 7 3.948 3.931 0.017 1
1 4 . 14 1 1 A 7 7 GLY C C 7 173.949 173.597 0.352 1
1 5 . 14 1 1 A 7 7 GLY CA C 7 45.325 47.323 -1.998 1
1 6 . 14 1 1 A 8 8 LYS H H 8 8.116 8.175 -0.059 1
1 7 . 14 1 1 A 8 8 LYS HA H 8 4.308 5.143 -0.835 1
1 14 . 14 1 1 A 8 8 LYS C C 8 176.504 174.936 1.568 1
1 15 . 14 1 1 A 8 8 LYS CA C 8 56.113 54.252 1.861 1
1 16 . 14 1 1 A 8 8 LYS CB C 8 33.151 36.232 -3.081 1
1 20 . 14 1 1 A 8 8 LYS N N 8 120.734 121.628 -0.894 1
1 21 . 14 1 1 A 9 9 ARG H H 9 8.362 8.510 -0.148 1
1 22 . 14 1 1 A 9 9 ARG HA H 9 4.590 4.821 -0.231 1
1 27 . 14 1 1 A 9 9 ARG C C 9 176.479 175.903 0.576 1
1 28 . 14 1 1 A 9 9 ARG CA C 9 53.962 52.890 1.072 1
1 29 . 14 1 1 A 9 9 ARG CB C 9 30.103 31.980 -1.877 1
1 32 . 14 1 1 A 9 9 ARG N N 9 123.609 120.093 3.516 1
1 33 . 14 1 1 A 10 10 PRO HA H 10 4.419 4.416 0.003 1
1 39 . 14 1 1 A 10 10 PRO C C 10 176.796 175.675 1.121 1
1 40 . 14 1 1 A 10 10 PRO CA C 10 62.987 64.052 -1.065 1
1 41 . 14 1 1 A 10 10 PRO CB C 10 32.080 31.905 0.175 1
1 44 . 14 1 1 A 11 11 ARG H H 11 8.517 7.471 1.046 1
1 45 . 14 1 1 A 11 11 ARG C C 11 176.551 174.015 2.536 1
1 46 . 14 1 1 A 11 11 ARG CA C 11 56.077 55.286 0.791 1
1 47 . 14 1 1 A 11 11 ARG CB C 11 30.762 33.318 -2.556 1
1 48 . 14 1 1 A 11 11 ARG N N 11 121.931 113.248 8.683 1
1 49 . 14 1 1 A 12 12 THR HA H 12 4.260 4.791 -0.531 1
1 54 . 14 1 1 A 12 12 THR C C 12 173.904 172.638 1.266 1
1 55 . 14 1 1 A 12 12 THR CA C 12 62.218 61.049 1.169 1
1 56 . 14 1 1 A 12 12 THR CB C 12 69.843 72.128 -2.285 1
1 58 . 14 1 1 A 13 13 ARG H H 13 8.434 8.635 -0.201 1
1 59 . 14 1 1 A 13 13 ARG HA H 13 4.381 4.689 -0.308 1
1 65 . 14 1 1 A 13 13 ARG C C 13 175.336 176.382 -1.046 1
1 66 . 14 1 1 A 13 13 ARG CA C 13 55.972 55.965 0.007 1
1 67 . 14 1 1 A 13 13 ARG CB C 13 31.059 31.613 -0.554 1
1 70 . 14 1 1 A 13 13 ARG N N 13 125.368 127.325 -1.957 1
1 71 . 14 1 1 A 14 14 ILE H H 14 8.179 8.454 -0.275 1
1 72 . 14 1 1 A 14 14 ILE HA H 14 4.268 4.130 0.138 1
1 82 . 14 1 1 A 14 14 ILE C C 14 176.844 176.953 -0.109 1
1 83 . 14 1 1 A 14 14 ILE CA C 14 61.647 61.688 -0.041 1
1 84 . 14 1 1 A 14 14 ILE CB C 14 39.248 38.144 1.104 1
1 88 . 14 1 1 A 14 14 ILE N N 14 123.951 125.063 -1.112 1
1 89 . 14 1 1 A 15 15 THR H H 15 8.922 8.200 0.722 1
1 90 . 14 1 1 A 15 15 THR HA H 15 4.386 4.640 -0.254 1
1 95 . 14 1 1 A 15 15 THR C C 15 175.263 175.698 -0.435 1
1 96 . 14 1 1 A 15 15 THR CA C 15 61.402 60.650 0.752 1
1 97 . 14 1 1 A 15 15 THR CB C 15 70.796 71.666 -0.870 1
1 99 . 14 1 1 A 15 15 THR N N 15 119.222 117.579 1.643 1
1 100 . 14 1 1 A 16 16 ASP H H 16 8.951 9.117 -0.166 1
1 101 . 14 1 1 A 16 16 ASP HA H 16 4.353 4.352 0.001 1
1 104 . 14 1 1 A 16 16 ASP C C 16 178.888 178.246 0.642 1
1 105 . 14 1 1 A 16 16 ASP CA C 16 58.016 56.998 1.018 1
1 106 . 14 1 1 A 16 16 ASP CB C 16 40.154 39.601 0.553 1
1 107 . 14 1 1 A 16 16 ASP N N 16 120.852 121.318 -0.466 1
1 108 . 14 1 1 A 17 17 ASP H H 17 8.387 8.277 0.110 1
1 109 . 14 1 1 A 17 17 ASP HA H 17 4.361 4.441 -0.080 1
1 112 . 14 1 1 A 17 17 ASP C C 17 178.815 177.581 1.234 1
1 113 . 14 1 1 A 17 17 ASP CA C 17 57.311 56.697 0.614 1
1 114 . 14 1 1 A 17 17 ASP CB C 17 40.649 40.710 -0.061 1
1 115 . 14 1 1 A 17 17 ASP N N 17 118.488 120.556 -2.068 1
1 116 . 14 1 1 A 18 18 GLN H H 18 7.561 7.631 -0.070 1
1 117 . 14 1 1 A 18 18 GLN HA H 18 3.844 4.221 -0.377 1
1 124 . 14 1 1 A 18 18 GLN C C 18 177.988 177.914 0.074 1
1 125 . 14 1 1 A 18 18 GLN CA C 18 58.933 57.643 1.290 1
1 126 . 14 1 1 A 18 18 GLN CB C 18 28.702 29.087 -0.385 1
1 128 . 14 1 1 A 18 18 GLN N N 18 119.852 118.111 1.741 1
1 130 . 14 1 1 A 19 19 LEU H H 19 8.538 8.140 0.398 1
1 131 . 14 1 1 A 19 19 LEU HA H 19 3.549 3.774 -0.225 1
1 141 . 14 1 1 A 19 19 LEU C C 19 178.202 178.243 -0.041 1
1 142 . 14 1 1 A 19 19 LEU CA C 19 57.593 57.756 -0.163 1
1 143 . 14 1 1 A 19 19 LEU CB C 19 41.720 41.262 0.458 1
1 147 . 14 1 1 A 19 19 LEU N N 19 120.203 122.543 -2.340 1
1 148 . 14 1 1 A 20 20 ARG H H 20 7.644 7.980 -0.336 1
1 149 . 14 1 1 A 20 20 ARG HA H 20 3.893 4.087 -0.194 1
1 155 . 14 1 1 A 20 20 ARG C C 20 179.148 178.353 0.795 1
1 156 . 14 1 1 A 20 20 ARG CA C 20 59.744 58.686 1.058 1
1 157 . 14 1 1 A 20 20 ARG CB C 20 29.855 30.094 -0.239 1
1 160 . 14 1 1 A 20 20 ARG N N 20 117.442 117.480 -0.038 1
1 161 . 14 1 1 A 21 21 VAL H H 21 7.074 7.861 -0.787 1
1 162 . 14 1 1 A 21 21 VAL HA H 21 3.726 3.734 -0.008 1
1 170 . 14 1 1 A 21 21 VAL C C 21 177.643 178.331 -0.688 1
1 171 . 14 1 1 A 21 21 VAL CA C 21 66.098 66.290 -0.192 1
1 172 . 14 1 1 A 21 21 VAL CB C 21 31.750 31.542 0.208 1
1 175 . 14 1 1 A 21 21 VAL N N 21 118.796 120.473 -1.677 1
1 176 . 14 1 1 A 22 22 LEU H H 22 7.620 7.811 -0.191 1
1 177 . 14 1 1 A 22 22 LEU HA H 22 3.947 3.896 0.051 1
1 187 . 14 1 1 A 22 22 LEU C C 22 178.979 179.111 -0.132 1
1 188 . 14 1 1 A 22 22 LEU CA C 22 58.369 57.844 0.525 1
1 189 . 14 1 1 A 22 22 LEU CB C 22 38.869 40.261 -1.392 1
1 193 . 14 1 1 A 22 22 LEU N N 22 119.184 119.211 -0.027 1
1 194 . 14 1 1 A 23 23 ARG H H 23 8.451 8.344 0.107 1
1 195 . 14 1 1 A 23 23 ARG HA H 23 4.054 4.245 -0.191 1
1 202 . 14 1 1 A 23 23 ARG C C 23 178.177 179.650 -1.473 1
1 203 . 14 1 1 A 23 23 ARG CA C 23 59.157 59.743 -0.586 1
1 204 . 14 1 1 A 23 23 ARG CB C 23 29.772 30.120 -0.348 1
1 207 . 14 1 1 A 23 23 ARG N N 23 116.571 119.253 -2.682 1
1 208 . 14 1 1 A 24 24 GLN H H 24 7.749 8.367 -0.618 1
1 209 . 14 1 1 A 24 24 GLN HA H 24 4.129 4.022 0.107 1
1 216 . 14 1 1 A 24 24 GLN C C 24 179.100 178.721 0.379 1
1 217 . 14 1 1 A 24 24 GLN CA C 24 58.827 59.031 -0.204 1
1 218 . 14 1 1 A 24 24 GLN CB C 24 28.290 28.264 0.026 1
1 220 . 14 1 1 A 24 24 GLN N N 24 118.256 118.872 -0.616 1
1 222 . 14 1 1 A 25 25 TYR H H 25 7.902 7.688 0.214 1
1 223 . 14 1 1 A 25 25 TYR HA H 25 4.295 4.303 -0.008 1
1 230 . 14 1 1 A 25 25 TYR C C 25 178.080 178.387 -0.307 1
1 231 . 14 1 1 A 25 25 TYR CA C 25 61.506 60.558 0.948 1
1 232 . 14 1 1 A 25 25 TYR CB C 25 39.001 38.111 0.890 1
1 237 . 14 1 1 A 25 25 TYR N N 25 117.374 120.559 -3.185 1
1 238 . 14 1 1 A 26 26 PHE H H 26 8.935 8.527 0.408 1
1 239 . 14 1 1 A 26 26 PHE HA H 26 4.366 4.695 -0.329 1
1 247 . 14 1 1 A 26 26 PHE C C 26 175.847 176.663 -0.816 1
1 248 . 14 1 1 A 26 26 PHE CA C 26 61.452 62.293 -0.841 1
1 249 . 14 1 1 A 26 26 PHE CB C 26 39.538 39.694 -0.156 1
1 255 . 14 1 1 A 27 27 ASP H H 27 8.138 8.540 -0.402 1
1 256 . 14 1 1 A 27 27 ASP HA H 27 4.407 4.326 0.081 1
1 259 . 14 1 1 A 27 27 ASP C C 27 177.546 178.973 -1.427 1
1 260 . 14 1 1 A 27 27 ASP CA C 27 56.007 57.352 -1.345 1
1 261 . 14 1 1 A 27 27 ASP CB C 27 40.813 40.489 0.324 1
1 262 . 14 1 1 A 27 27 ASP N N 27 116.760 118.846 -2.086 1
1 263 . 14 1 1 A 28 28 ILE H H 28 7.463 7.130 0.333 1
1 264 . 14 1 1 A 28 28 ILE HA H 28 3.945 3.853 0.092 1
1 274 . 14 1 1 A 28 28 ILE C C 28 176.260 176.144 0.116 1
1 275 . 14 1 1 A 28 28 ILE CA C 28 62.881 64.311 -1.430 1
1 276 . 14 1 1 A 28 28 ILE CB C 28 38.836 37.952 0.884 1
1 280 . 14 1 1 A 28 28 ILE N N 28 119.169 118.033 1.136 1
1 281 . 14 1 1 A 29 29 ASN H H 29 8.214 7.740 0.474 1
1 282 . 14 1 1 A 29 29 ASN HA H 29 4.620 4.931 -0.311 1
1 287 . 14 1 1 A 29 29 ASN C C 29 173.633 175.256 -1.623 1
1 288 . 14 1 1 A 29 29 ASN CA C 29 53.081 51.550 1.531 1
1 289 . 14 1 1 A 29 29 ASN CB C 29 39.330 41.154 -1.824 1
1 290 . 14 1 1 A 29 29 ASN N N 29 117.989 115.745 2.244 1
1 292 . 14 1 1 A 30 30 ASN H H 30 8.383 8.325 0.058 1
1 293 . 14 1 1 A 30 30 ASN HA H 30 4.231 3.891 0.340 1
1 298 . 14 1 1 A 30 30 ASN C C 30 174.338 175.031 -0.693 1
1 299 . 14 1 1 A 30 30 ASN CA C 30 53.610 56.612 -3.002 1
1 300 . 14 1 1 A 30 30 ASN CB C 30 38.836 38.353 0.483 1
1 301 . 14 1 1 A 30 30 ASN N N 30 120.522 121.937 -1.415 1
1 303 . 14 1 1 A 31 31 SER H H 31 7.941 7.837 0.104 1
1 304 . 14 1 1 A 31 31 SER HA H 31 4.795 4.609 0.186 1
1 307 . 14 1 1 A 31 31 SER C C 31 174.387 172.159 2.228 1
1 308 . 14 1 1 A 31 31 SER CA C 31 54.843 54.512 0.331 1
1 309 . 14 1 1 A 31 31 SER CB C 31 63.553 64.916 -1.363 1
1 310 . 14 1 1 A 31 31 SER N N 31 112.907 112.643 0.264 1
1 311 . 14 1 1 A 32 32 PRO HA H 32 4.437 4.579 -0.142 1
1 318 . 14 1 1 A 32 32 PRO C C 32 176.844 175.465 1.379 1
1 319 . 14 1 1 A 32 32 PRO CA C 32 62.180 62.096 0.084 1
1 320 . 14 1 1 A 32 32 PRO CB C 32 32.380 32.162 0.218 1
1 323 . 14 1 1 A 33 33 SER H H 33 8.658 8.456 0.202 1
1 324 . 14 1 1 A 33 33 SER HA H 33 4.462 4.726 -0.264 1
1 327 . 14 1 1 A 33 33 SER C C 33 175.068 175.312 -0.244 1
1 328 . 14 1 1 A 33 33 SER CA C 33 56.539 56.645 -0.106 1
1 329 . 14 1 1 A 33 33 SER CB C 33 65.613 65.269 0.344 1
1 330 . 14 1 1 A 33 33 SER N N 33 117.201 116.737 0.464 1
1 331 . 14 1 1 A 34 34 GLU H H 34 8.983 9.017 -0.034 1
1 332 . 14 1 1 A 34 34 GLU HA H 34 3.885 3.941 -0.056 1
1 337 . 14 1 1 A 34 34 GLU C C 34 179.464 178.426 1.038 1
1 338 . 14 1 1 A 34 34 GLU CA C 34 59.990 59.408 0.582 1
1 339 . 14 1 1 A 34 34 GLU CB C 34 29.031 29.239 -0.208 1
1 341 . 14 1 1 A 34 34 GLU N N 34 120.557 126.933 -6.376 1
1 342 . 14 1 1 A 35 35 GLU H H 35 8.672 7.693 0.979 1
1 343 . 14 1 1 A 35 35 GLU HA H 35 3.989 4.086 -0.097 1
1 348 . 14 1 1 A 35 35 GLU C C 35 179.440 178.748 0.692 1
1 349 . 14 1 1 A 35 35 GLU CA C 35 60.096 59.183 0.913 1
1 350 . 14 1 1 A 35 35 GLU CB C 35 28.949 29.698 -0.749 1
1 352 . 14 1 1 A 35 35 GLU N N 35 119.112 120.220 -1.108 1
1 353 . 14 1 1 A 36 36 GLN H H 36 7.705 8.118 -0.413 1
1 354 . 14 1 1 A 36 36 GLN HA H 36 4.012 4.001 0.011 1
1 360 . 14 1 1 A 36 36 GLN C C 36 178.372 178.204 0.168 1
1 361 . 14 1 1 A 36 36 GLN CA C 36 58.968 58.539 0.429 1
1 362 . 14 1 1 A 36 36 GLN CB C 36 28.290 28.382 -0.092 1
1 364 . 14 1 1 A 36 36 GLN N N 36 120.638 119.071 1.567 1
1 366 . 14 1 1 A 37 37 ILE H H 37 8.308 8.400 -0.092 1
1 367 . 14 1 1 A 37 37 ILE HA H 37 3.474 3.737 -0.263 1
1 377 . 14 1 1 A 37 37 ILE C C 37 177.400 178.761 -1.361 1
1 378 . 14 1 1 A 37 37 ILE CA C 37 65.173 64.820 0.353 1
1 379 . 14 1 1 A 37 37 ILE CB C 37 36.447 37.736 -1.289 1
1 383 . 14 1 1 A 37 37 ILE N N 37 121.515 120.461 1.054 1
1 384 . 14 1 1 A 38 38 LYS H H 38 7.808 7.892 -0.084 1
1 385 . 14 1 1 A 38 38 LYS HA H 38 3.803 4.017 -0.214 1
1 393 . 14 1 1 A 38 38 LYS C C 38 178.153 178.767 -0.614 1
1 394 . 14 1 1 A 38 38 LYS CA C 38 60.096 59.297 0.799 1
1 395 . 14 1 1 A 38 38 LYS CB C 38 31.833 32.550 -0.717 1
1 399 . 14 1 1 A 38 38 LYS N N 38 120.672 122.517 -1.845 1
1 400 . 14 1 1 A 39 39 GLU H H 39 7.719 8.140 -0.421 1
1 401 . 14 1 1 A 39 39 GLU HA H 39 4.089 4.073 0.016 1
1 406 . 14 1 1 A 39 39 GLU C C 39 179.278 178.408 0.870 1
1 407 . 14 1 1 A 39 39 GLU CA C 39 59.522 59.127 0.395 1
1 408 . 14 1 1 A 39 39 GLU CB C 39 29.773 28.899 0.874 1
1 410 . 14 1 1 A 39 39 GLU N N 39 119.510 117.492 2.018 1
1 411 . 14 1 1 A 40 40 MET H H 40 8.167 8.368 -0.201 1
1 412 . 14 1 1 A 40 40 MET HA H 40 3.599 4.208 -0.609 1
1 420 . 14 1 1 A 40 40 MET C C 40 179.813 178.329 1.484 1
1 421 . 14 1 1 A 40 40 MET CA C 40 59.533 58.440 1.093 1
1 422 . 14 1 1 A 40 40 MET CB C 40 35.410 33.022 2.388 1
1 425 . 14 1 1 A 40 40 MET N N 40 117.312 118.483 -1.171 1
1 426 . 14 1 1 A 41 41 ALA H H 41 8.689 7.983 0.706 1
1 427 . 14 1 1 A 41 41 ALA HA H 41 4.102 4.305 -0.203 1
1 431 . 14 1 1 A 41 41 ALA C C 41 179.610 179.065 0.545 1
1 432 . 14 1 1 A 41 41 ALA CA C 41 55.866 54.873 0.993 1
1 433 . 14 1 1 A 41 41 ALA CB C 41 18.609 18.530 0.079 1
1 434 . 14 1 1 A 41 41 ALA N N 41 128.620 121.661 6.959 1
1 435 . 14 1 1 A 42 42 ASP H H 42 8.324 7.178 1.146 1
1 436 . 14 1 1 A 42 42 ASP HA H 42 4.306 4.610 -0.304 1
1 439 . 14 1 1 A 42 42 ASP C C 42 179.003 178.539 0.464 1
1 440 . 14 1 1 A 42 42 ASP CA C 42 57.241 56.351 0.890 1
1 441 . 14 1 1 A 42 42 ASP CB C 42 40.319 41.561 -1.242 1
1 442 . 14 1 1 A 42 42 ASP N N 42 120.159 117.946 2.213 1
1 443 . 14 1 1 A 43 43 LYS H H 43 8.036 7.786 0.250 1
1 444 . 14 1 1 A 43 43 LYS HA H 43 4.155 3.998 0.157 1
1 452 . 14 1 1 A 43 43 LYS C C 43 178.105 178.643 -0.538 1
1 453 . 14 1 1 A 43 43 LYS CA C 43 58.580 59.109 -0.529 1
1 454 . 14 1 1 A 43 43 LYS CB C 43 33.893 32.228 1.665 1
1 458 . 14 1 1 A 43 43 LYS N N 43 116.586 119.099 -2.513 1
1 459 . 14 1 1 A 44 44 SER H H 44 8.314 8.115 0.199 1
1 460 . 14 1 1 A 44 44 SER HA H 44 4.486 4.549 -0.063 1
1 463 . 14 1 1 A 44 44 SER C C 44 175.458 175.433 0.025 1
1 464 . 14 1 1 A 44 44 SER CA C 44 59.955 58.766 1.189 1
1 465 . 14 1 1 A 44 44 SER CB C 44 66.025 64.793 1.232 1
1 466 . 14 1 1 A 44 44 SER N N 44 111.140 110.672 0.468 1
1 467 . 14 1 1 A 45 45 GLY H H 45 8.249 8.031 0.218 1
1 468 . 14 1 1 A 45 45 GLY HA2 H 45 3.872 4.041 -0.169 1
1 469 . 14 1 1 A 45 45 GLY HA3 H 45 4.233 4.043 0.190 1
1 470 . 14 1 1 A 45 45 GLY C C 45 174.317 174.241 0.076 1
1 471 . 14 1 1 A 45 45 GLY CA C 45 45.889 44.845 1.044 1
1 472 . 14 1 1 A 45 45 GLY N N 45 112.770 110.710 2.060 1
1 473 . 14 1 1 A 46 46 LEU H H 46 7.800 7.665 0.135 1
1 474 . 14 1 1 A 46 46 LEU HA H 46 4.685 4.601 0.084 1
1 484 . 14 1 1 A 46 46 LEU C C 46 174.366 174.631 -0.265 1
1 485 . 14 1 1 A 46 46 LEU CA C 46 52.235 52.308 -0.073 1
1 486 . 14 1 1 A 46 46 LEU CB C 46 43.285 41.530 1.755 1
1 490 . 14 1 1 A 46 46 LEU N N 46 121.722 122.145 -0.423 1
1 491 . 14 1 1 A 47 47 PRO HA H 47 4.542 4.535 0.007 1
1 497 . 14 1 1 A 47 47 PRO C C 47 178.542 176.649 1.893 1
1 498 . 14 1 1 A 47 47 PRO CA C 47 62.000 62.433 -0.433 1
1 499 . 14 1 1 A 47 47 PRO CB C 47 32.731 33.325 -0.594 1
1 502 . 14 1 1 A 48 48 GLN H H 48 9.124 8.648 0.476 1
1 503 . 14 1 1 A 48 48 GLN HA H 48 3.629 4.075 -0.446 1
1 510 . 14 1 1 A 48 48 GLN C C 48 178.080 177.507 0.573 1
1 511 . 14 1 1 A 48 48 GLN CA C 48 60.872 58.274 2.598 1
1 512 . 14 1 1 A 48 48 GLN CB C 48 28.455 28.491 -0.036 1
1 514 . 14 1 1 A 48 48 GLN N N 48 123.862 120.688 3.174 1
1 516 . 14 1 1 A 49 49 LYS H H 49 8.912 8.038 0.874 1
1 517 . 14 1 1 A 49 49 LYS HA H 49 3.969 4.224 -0.255 1
1 524 . 14 1 1 A 49 49 LYS C C 49 178.954 178.880 0.074 1
1 525 . 14 1 1 A 49 49 LYS CA C 49 59.955 59.338 0.617 1
1 526 . 14 1 1 A 49 49 LYS CB C 49 32.327 32.144 0.183 1
1 530 . 14 1 1 A 49 49 LYS N N 49 116.406 118.226 -1.820 1
1 531 . 14 1 1 A 50 50 VAL H H 50 6.874 7.956 -1.082 1
1 532 . 14 1 1 A 50 50 VAL HA H 50 3.835 3.609 0.226 1
1 540 . 14 1 1 A 50 50 VAL C C 50 178.299 178.303 -0.004 1
1 541 . 14 1 1 A 50 50 VAL CA C 50 65.560 66.107 -0.547 1
1 542 . 14 1 1 A 50 50 VAL CB C 50 32.080 31.581 0.499 1
1 545 . 14 1 1 A 50 50 VAL N N 50 119.065 120.254 -1.189 1
1 546 . 14 1 1 A 51 51 ILE H H 51 7.503 8.024 -0.521 1
1 547 . 14 1 1 A 51 51 ILE HA H 51 3.672 3.668 0.004 1
1 557 . 14 1 1 A 51 51 ILE C C 51 178.007 178.247 -0.240 1
1 558 . 14 1 1 A 51 51 ILE CA C 51 66.019 65.628 0.391 1
1 559 . 14 1 1 A 51 51 ILE CB C 51 38.081 37.713 0.368 1
1 563 . 14 1 1 A 51 51 ILE N N 51 121.254 120.682 0.572 1
1 564 . 14 1 1 A 52 52 LYS H H 52 8.596 7.894 0.702 1
1 565 . 14 1 1 A 52 52 LYS HA H 52 3.984 4.176 -0.192 1
1 572 . 14 1 1 A 52 52 LYS C C 52 179.302 179.639 -0.337 1
1 573 . 14 1 1 A 52 52 LYS CA C 52 60.978 59.676 1.302 1
1 574 . 14 1 1 A 52 52 LYS CB C 52 32.574 32.539 0.035 1
1 578 . 14 1 1 A 52 52 LYS N N 52 118.531 119.906 -1.375 1
1 579 . 14 1 1 A 53 53 HIS H H 53 7.952 8.111 -0.159 1
1 580 . 14 1 1 A 53 53 HIS HA H 53 4.324 4.391 -0.067 1
1 585 . 14 1 1 A 53 53 HIS C C 53 177.085 177.956 -0.871 1
1 586 . 14 1 1 A 53 53 HIS CA C 53 60.026 59.180 0.846 1
1 587 . 14 1 1 A 53 53 HIS CB C 53 30.867 30.016 0.851 1
1 590 . 14 1 1 A 53 53 HIS N N 53 118.728 118.543 0.185 1
1 591 . 14 1 1 A 54 54 TRP H H 54 8.614 8.401 0.213 1
1 592 . 14 1 1 A 54 54 TRP HA H 54 4.048 4.216 -0.168 1
1 601 . 14 1 1 A 54 54 TRP C C 54 180.144 178.557 1.587 1
1 602 . 14 1 1 A 54 54 TRP CA C 54 62.916 61.031 1.885 1
1 603 . 14 1 1 A 54 54 TRP CB C 54 28.766 29.494 -0.728 1
1 609 . 14 1 1 A 54 54 TRP N N 54 121.845 120.578 1.267 1
1 611 . 14 1 1 A 55 55 PHE H H 55 9.035 8.450 0.585 1
1 612 . 14 1 1 A 55 55 PHE HA H 55 3.786 4.137 -0.351 1
1 620 . 14 1 1 A 55 55 PHE C C 55 178.129 178.073 0.056 1
1 621 . 14 1 1 A 55 55 PHE CA C 55 63.617 62.512 1.105 1
1 622 . 14 1 1 A 55 55 PHE CB C 55 39.260 38.611 0.649 1
1 628 . 14 1 1 A 55 55 PHE N N 55 120.180 118.232 1.948 1
1 629 . 14 1 1 A 56 56 ARG H H 56 7.962 8.363 -0.401 1
1 630 . 14 1 1 A 56 56 ARG HA H 56 4.095 3.994 0.101 1
1 636 . 14 1 1 A 56 56 ARG C C 56 178.444 178.377 0.067 1
1 637 . 14 1 1 A 56 56 ARG CA C 56 59.356 59.687 -0.331 1
1 638 . 14 1 1 A 56 56 ARG CB C 56 30.087 29.444 0.643 1
1 641 . 14 1 1 A 56 56 ARG N N 56 118.370 120.237 -1.867 1
1 642 . 14 1 1 A 57 57 ASN H H 57 8.194 8.402 -0.208 1
1 643 . 14 1 1 A 57 57 ASN HA H 57 4.401 4.419 -0.018 1
1 648 . 14 1 1 A 57 57 ASN C C 57 176.866 177.926 -1.060 1
1 649 . 14 1 1 A 57 57 ASN CA C 57 55.497 56.569 -1.072 1
1 650 . 14 1 1 A 57 57 ASN CB C 57 38.640 39.342 -0.702 1
1 651 . 14 1 1 A 57 57 ASN N N 57 117.190 117.802 -0.612 1
1 653 . 14 1 1 A 58 58 THR H H 58 7.999 7.963 0.036 1
1 654 . 14 1 1 A 58 58 THR HA H 58 3.426 3.732 -0.306 1
1 659 . 14 1 1 A 58 58 THR C C 58 175.361 176.209 -0.848 1
1 660 . 14 1 1 A 58 58 THR CA C 58 65.801 66.999 -1.198 1
1 661 . 14 1 1 A 58 58 THR CB C 58 68.064 67.669 0.395 1
1 663 . 14 1 1 A 58 58 THR N N 58 117.859 115.666 2.193 1
1 664 . 14 1 1 A 59 59 LEU H H 59 7.950 8.495 -0.545 1
1 665 . 14 1 1 A 59 59 LEU HA H 59 4.127 4.229 -0.102 1
1 674 . 14 1 1 A 59 59 LEU C C 59 177.886 178.674 -0.788 1
1 675 . 14 1 1 A 59 59 LEU CA C 59 57.628 58.663 -1.035 1
1 676 . 14 1 1 A 59 59 LEU CB C 59 42.296 42.200 0.096 1
1 680 . 14 1 1 A 59 59 LEU N N 59 122.280 121.631 0.649 1
1 681 . 14 1 1 A 60 60 PHE H H 60 7.797 8.816 -1.019 1
1 682 . 14 1 1 A 60 60 PHE HA H 60 4.309 4.022 0.287 1
1 690 . 14 1 1 A 60 60 PHE C C 60 177.085 177.306 -0.221 1
1 691 . 14 1 1 A 60 60 PHE CA C 60 59.920 61.864 -1.944 1
1 692 . 14 1 1 A 60 60 PHE CB C 60 38.918 39.339 -0.421 1
1 698 . 14 1 1 A 60 60 PHE N N 60 118.008 119.754 -1.746 1
1 699 . 14 1 1 A 61 61 LYS H H 61 7.839 7.932 -0.093 1
1 700 . 14 1 1 A 61 61 LYS HA H 61 4.007 4.002 0.005 1
1 707 . 14 1 1 A 61 61 LYS C C 61 178.032 178.781 -0.749 1
1 708 . 14 1 1 A 61 61 LYS CA C 61 58.016 60.082 -2.066 1
1 709 . 14 1 1 A 61 61 LYS CB C 61 32.657 32.453 0.204 1
1 713 . 14 1 1 A 61 61 LYS N N 61 119.447 118.442 1.005 1
1 714 . 14 1 1 A 62 62 GLU H H 62 8.139 8.211 -0.072 1
1 715 . 14 1 1 A 62 62 GLU HA H 62 4.146 4.005 0.141 1
1 720 . 14 1 1 A 62 62 GLU C C 62 177.595 179.435 -1.840 1
1 721 . 14 1 1 A 62 62 GLU CA C 62 57.699 59.363 -1.664 1
1 722 . 14 1 1 A 62 62 GLU CB C 62 29.608 29.628 -0.020 1
1 724 . 14 1 1 A 62 62 GLU N N 62 119.302 118.212 1.090 1
1 725 . 14 1 1 A 63 63 ARG H H 63 8.015 8.166 -0.151 1
1 726 . 14 1 1 A 63 63 ARG HA H 63 4.258 4.131 0.127 1
1 732 . 14 1 1 A 63 63 ARG C C 63 176.769 176.627 0.142 1
1 733 . 14 1 1 A 63 63 ARG CA C 63 56.677 58.909 -2.232 1
1 734 . 14 1 1 A 63 63 ARG CB C 63 30.514 30.049 0.465 1
1 737 . 14 1 1 A 63 63 ARG N N 63 119.598 120.108 -0.510 1
1 738 . 14 1 1 A 64 64 GLN H H 64 8.058 7.303 0.755 1
1 739 . 14 1 1 A 64 64 GLN HA H 64 4.242 4.420 -0.178 1
1 745 . 14 1 1 A 64 64 GLN C C 64 176.114 175.620 0.494 1
1 746 . 14 1 1 A 64 64 GLN CA C 64 56.148 55.665 0.483 1
1 747 . 14 1 1 A 64 64 GLN CB C 64 29.258 29.546 -0.288 1
1 749 . 14 1 1 A 64 64 GLN N N 64 120.027 117.959 2.068 1
1 751 . 14 1 1 A 65 65 SER H H 65 8.172 8.628 -0.456 1
1 752 . 14 1 1 A 65 65 SER HA H 65 4.457 5.067 -0.610 1
1 755 . 14 1 1 A 65 65 SER C C 65 174.487 173.755 0.732 1
1 756 . 14 1 1 A 65 65 SER CA C 65 58.404 57.860 0.544 1
1 757 . 14 1 1 A 65 65 SER CB C 65 63.965 67.234 -3.269 1
1 758 . 14 1 1 A 65 65 SER N N 65 116.070 114.814 1.256 1
1 759 . 14 1 1 A 66 66 GLY H H 66 8.170 8.322 -0.152 1
1 760 . 14 1 1 A 66 66 GLY HA2 H 66 4.141 3.978 0.163 1
1 761 . 14 1 1 A 66 66 GLY HA3 H 66 4.082 3.979 0.103 1
1 762 . 14 1 1 A 66 66 GLY C C 66 171.768 174.645 -2.877 1
1 763 . 14 1 1 A 66 66 GLY CA C 66 44.620 45.490 -0.870 1
1 764 . 14 1 1 A 66 66 GLY N N 66 110.579 110.568 0.011 1
1 765 . 14 1 1 A 67 67 PRO HA H 67 4.453 4.421 0.032 1
1 770 . 14 1 1 A 67 67 PRO C C 67 177.400 176.139 1.261 1
1 771 . 14 1 1 A 67 67 PRO CA C 67 63.198 64.308 -1.110 1
1 772 . 14 1 1 A 67 67 PRO CB C 67 32.171 32.115 0.056 1
1 775 . 14 1 1 A 68 68 SER H H 68 8.525 7.599 0.926 1
1 776 . 14 1 1 A 68 68 SER HA H 68 4.490 4.803 -0.313 1
1 779 . 14 1 1 A 68 68 SER C C 68 174.657 173.889 0.768 1
1 780 . 14 1 1 A 68 68 SER CA C 68 58.589 56.308 2.281 1
1 781 . 14 1 1 A 68 68 SER CB C 68 63.800 65.513 -1.713 1
1 782 . 14 1 1 A 68 68 SER N N 68 116.415 114.218 2.197 1
1 783 . 14 1 1 A 69 69 SER H H 69 8.316 8.759 -0.443 1
1 784 . 14 1 1 A 69 69 SER HA H 69 4.467 4.437 0.030 1
1 787 . 14 1 1 A 69 69 SER C C 69 173.953 176.399 -2.446 1
1 788 . 14 1 1 A 69 69 SER CA C 69 58.369 60.202 -1.833 1
1 789 . 14 1 1 A 69 69 SER CB C 69 64.047 64.551 -0.504 1
1 790 . 14 1 1 A 69 69 SER N N 69 117.832 119.020 -1.188 1
1 1 . 15 1 1 A 7 7 GLY H H 7 8.499 8.383 0.116 1
1 2 . 15 1 1 A 7 7 GLY HA2 H 7 3.948 4.018 -0.070 1
1 3 . 15 1 1 A 7 7 GLY HA3 H 7 3.948 4.018 -0.070 1
1 4 . 15 1 1 A 7 7 GLY C C 7 173.949 173.793 0.156 1
1 5 . 15 1 1 A 7 7 GLY CA C 7 45.325 45.600 -0.275 1
1 6 . 15 1 1 A 8 8 LYS H H 8 8.116 7.873 0.243 1
1 7 . 15 1 1 A 8 8 LYS HA H 8 4.308 5.003 -0.695 1
1 14 . 15 1 1 A 8 8 LYS C C 8 176.504 175.097 1.407 1
1 15 . 15 1 1 A 8 8 LYS CA C 8 56.113 54.289 1.824 1
1 16 . 15 1 1 A 8 8 LYS CB C 8 33.151 36.259 -3.108 1
1 20 . 15 1 1 A 8 8 LYS N N 8 120.734 119.789 0.945 1
1 21 . 15 1 1 A 9 9 ARG H H 9 8.362 8.970 -0.608 1
1 22 . 15 1 1 A 9 9 ARG HA H 9 4.590 4.981 -0.391 1
1 27 . 15 1 1 A 9 9 ARG C C 9 176.479 174.164 2.315 1
1 28 . 15 1 1 A 9 9 ARG CA C 9 53.962 53.579 0.383 1
1 29 . 15 1 1 A 9 9 ARG CB C 9 30.103 33.444 -3.341 1
1 32 . 15 1 1 A 9 9 ARG N N 9 123.609 119.808 3.801 1
1 33 . 15 1 1 A 10 10 PRO HA H 10 4.419 4.585 -0.166 1
1 39 . 15 1 1 A 10 10 PRO C C 10 176.796 175.700 1.096 1
1 40 . 15 1 1 A 10 10 PRO CA C 10 62.987 62.347 0.640 1
1 41 . 15 1 1 A 10 10 PRO CB C 10 32.080 32.922 -0.842 1
1 44 . 15 1 1 A 11 11 ARG H H 11 8.517 8.534 -0.017 1
1 45 . 15 1 1 A 11 11 ARG C C 11 176.551 175.634 0.917 1
1 46 . 15 1 1 A 11 11 ARG CA C 11 56.077 54.453 1.624 1
1 47 . 15 1 1 A 11 11 ARG CB C 11 30.762 33.029 -2.267 1
1 48 . 15 1 1 A 11 11 ARG N N 11 121.931 121.521 0.410 1
1 49 . 15 1 1 A 12 12 THR HA H 12 4.260 4.266 -0.006 1
1 54 . 15 1 1 A 12 12 THR C C 12 173.904 173.825 0.079 1
1 55 . 15 1 1 A 12 12 THR CA C 12 62.218 62.769 -0.551 1
1 56 . 15 1 1 A 12 12 THR CB C 12 69.843 68.911 0.932 1
1 58 . 15 1 1 A 13 13 ARG H H 13 8.434 8.412 0.022 1
1 59 . 15 1 1 A 13 13 ARG HA H 13 4.381 4.705 -0.324 1
1 65 . 15 1 1 A 13 13 ARG C C 13 175.336 173.981 1.355 1
1 66 . 15 1 1 A 13 13 ARG CA C 13 55.972 55.674 0.298 1
1 67 . 15 1 1 A 13 13 ARG CB C 13 31.059 33.953 -2.894 1
1 70 . 15 1 1 A 13 13 ARG N N 13 125.368 125.270 0.098 1
1 71 . 15 1 1 A 14 14 ILE H H 14 8.179 8.993 -0.814 1
1 72 . 15 1 1 A 14 14 ILE HA H 14 4.268 4.864 -0.596 1
1 82 . 15 1 1 A 14 14 ILE C C 14 176.844 176.012 0.832 1
1 83 . 15 1 1 A 14 14 ILE CA C 14 61.647 59.864 1.783 1
1 84 . 15 1 1 A 14 14 ILE CB C 14 39.248 40.611 -1.363 1
1 88 . 15 1 1 A 14 14 ILE N N 14 123.951 127.566 -3.615 1
1 89 . 15 1 1 A 15 15 THR H H 15 8.922 8.661 0.261 1
1 90 . 15 1 1 A 15 15 THR HA H 15 4.386 4.717 -0.331 1
1 95 . 15 1 1 A 15 15 THR C C 15 175.263 175.401 -0.138 1
1 96 . 15 1 1 A 15 15 THR CA C 15 61.402 60.236 1.166 1
1 97 . 15 1 1 A 15 15 THR CB C 15 70.796 71.909 -1.113 1
1 99 . 15 1 1 A 15 15 THR N N 15 119.222 116.057 3.165 1
1 100 . 15 1 1 A 16 16 ASP H H 16 8.951 8.829 0.122 1
1 101 . 15 1 1 A 16 16 ASP HA H 16 4.353 4.346 0.007 1
1 104 . 15 1 1 A 16 16 ASP C C 16 178.888 177.988 0.900 1
1 105 . 15 1 1 A 16 16 ASP CA C 16 58.016 57.047 0.969 1
1 106 . 15 1 1 A 16 16 ASP CB C 16 40.154 40.508 -0.354 1
1 107 . 15 1 1 A 16 16 ASP N N 16 120.852 121.412 -0.560 1
1 108 . 15 1 1 A 17 17 ASP H H 17 8.387 8.347 0.040 1
1 109 . 15 1 1 A 17 17 ASP HA H 17 4.361 4.478 -0.117 1
1 112 . 15 1 1 A 17 17 ASP C C 17 178.815 177.332 1.483 1
1 113 . 15 1 1 A 17 17 ASP CA C 17 57.311 56.526 0.785 1
1 114 . 15 1 1 A 17 17 ASP CB C 17 40.649 40.553 0.096 1
1 115 . 15 1 1 A 17 17 ASP N N 17 118.488 118.992 -0.504 1
1 116 . 15 1 1 A 18 18 GLN H H 18 7.561 7.483 0.078 1
1 117 . 15 1 1 A 18 18 GLN HA H 18 3.844 4.261 -0.417 1
1 124 . 15 1 1 A 18 18 GLN C C 18 177.988 177.969 0.019 1
1 125 . 15 1 1 A 18 18 GLN CA C 18 58.933 57.528 1.405 1
1 126 . 15 1 1 A 18 18 GLN CB C 18 28.702 29.215 -0.513 1
1 128 . 15 1 1 A 18 18 GLN N N 18 119.852 118.476 1.376 1
1 130 . 15 1 1 A 19 19 LEU H H 19 8.538 7.991 0.547 1
1 131 . 15 1 1 A 19 19 LEU HA H 19 3.549 3.779 -0.230 1
1 141 . 15 1 1 A 19 19 LEU C C 19 178.202 178.145 0.057 1
1 142 . 15 1 1 A 19 19 LEU CA C 19 57.593 57.778 -0.185 1
1 143 . 15 1 1 A 19 19 LEU CB C 19 41.720 41.438 0.282 1
1 147 . 15 1 1 A 19 19 LEU N N 19 120.203 122.214 -2.011 1
1 148 . 15 1 1 A 20 20 ARG H H 20 7.644 7.990 -0.346 1
1 149 . 15 1 1 A 20 20 ARG HA H 20 3.893 4.096 -0.203 1
1 155 . 15 1 1 A 20 20 ARG C C 20 179.148 178.439 0.709 1
1 156 . 15 1 1 A 20 20 ARG CA C 20 59.744 58.604 1.140 1
1 157 . 15 1 1 A 20 20 ARG CB C 20 29.855 30.092 -0.237 1
1 160 . 15 1 1 A 20 20 ARG N N 20 117.442 117.623 -0.181 1
1 161 . 15 1 1 A 21 21 VAL H H 21 7.074 7.972 -0.898 1
1 162 . 15 1 1 A 21 21 VAL HA H 21 3.726 3.739 -0.013 1
1 170 . 15 1 1 A 21 21 VAL C C 21 177.643 178.222 -0.579 1
1 171 . 15 1 1 A 21 21 VAL CA C 21 66.098 66.255 -0.157 1
1 172 . 15 1 1 A 21 21 VAL CB C 21 31.750 31.402 0.348 1
1 175 . 15 1 1 A 21 21 VAL N N 21 118.796 120.506 -1.710 1
1 176 . 15 1 1 A 22 22 LEU H H 22 7.620 7.964 -0.344 1
1 177 . 15 1 1 A 22 22 LEU HA H 22 3.947 3.963 -0.016 1
1 187 . 15 1 1 A 22 22 LEU C C 22 178.979 178.847 0.132 1
1 188 . 15 1 1 A 22 22 LEU CA C 22 58.369 57.554 0.815 1
1 189 . 15 1 1 A 22 22 LEU CB C 22 38.869 40.674 -1.805 1
1 193 . 15 1 1 A 22 22 LEU N N 22 119.184 120.629 -1.445 1
1 194 . 15 1 1 A 23 23 ARG H H 23 8.451 8.353 0.098 1
1 195 . 15 1 1 A 23 23 ARG HA H 23 4.054 4.208 -0.154 1
1 202 . 15 1 1 A 23 23 ARG C C 23 178.177 179.648 -1.471 1
1 203 . 15 1 1 A 23 23 ARG CA C 23 59.157 59.621 -0.464 1
1 204 . 15 1 1 A 23 23 ARG CB C 23 29.772 30.068 -0.296 1
1 207 . 15 1 1 A 23 23 ARG N N 23 116.571 119.469 -2.898 1
1 208 . 15 1 1 A 24 24 GLN H H 24 7.749 8.345 -0.596 1
1 209 . 15 1 1 A 24 24 GLN HA H 24 4.129 4.122 0.007 1
1 216 . 15 1 1 A 24 24 GLN C C 24 179.100 178.968 0.132 1
1 217 . 15 1 1 A 24 24 GLN CA C 24 58.827 59.154 -0.327 1
1 218 . 15 1 1 A 24 24 GLN CB C 24 28.290 28.199 0.091 1
1 220 . 15 1 1 A 24 24 GLN N N 24 118.256 118.897 -0.641 1
1 222 . 15 1 1 A 25 25 TYR H H 25 7.902 8.300 -0.398 1
1 223 . 15 1 1 A 25 25 TYR HA H 25 4.295 4.390 -0.095 1
1 230 . 15 1 1 A 25 25 TYR C C 25 178.080 178.441 -0.361 1
1 231 . 15 1 1 A 25 25 TYR CA C 25 61.506 60.838 0.668 1
1 232 . 15 1 1 A 25 25 TYR CB C 25 39.001 38.255 0.746 1
1 237 . 15 1 1 A 25 25 TYR N N 25 117.374 120.619 -3.245 1
1 238 . 15 1 1 A 26 26 PHE H H 26 8.935 8.480 0.455 1
1 239 . 15 1 1 A 26 26 PHE HA H 26 4.366 4.581 -0.215 1
1 247 . 15 1 1 A 26 26 PHE C C 26 175.847 176.653 -0.806 1
1 248 . 15 1 1 A 26 26 PHE CA C 26 61.452 62.385 -0.933 1
1 249 . 15 1 1 A 26 26 PHE CB C 26 39.538 39.304 0.234 1
1 255 . 15 1 1 A 27 27 ASP H H 27 8.138 8.268 -0.130 1
1 256 . 15 1 1 A 27 27 ASP HA H 27 4.407 4.396 0.011 1
1 259 . 15 1 1 A 27 27 ASP C C 27 177.546 178.529 -0.983 1
1 260 . 15 1 1 A 27 27 ASP CA C 27 56.007 57.448 -1.441 1
1 261 . 15 1 1 A 27 27 ASP CB C 27 40.813 41.758 -0.945 1
1 262 . 15 1 1 A 27 27 ASP N N 27 116.760 119.228 -2.468 1
1 263 . 15 1 1 A 28 28 ILE H H 28 7.463 7.261 0.202 1
1 264 . 15 1 1 A 28 28 ILE HA H 28 3.945 3.797 0.148 1
1 274 . 15 1 1 A 28 28 ILE C C 28 176.260 176.125 0.135 1
1 275 . 15 1 1 A 28 28 ILE CA C 28 62.881 64.354 -1.473 1
1 276 . 15 1 1 A 28 28 ILE CB C 28 38.836 37.899 0.937 1
1 280 . 15 1 1 A 28 28 ILE N N 28 119.169 118.673 0.496 1
1 281 . 15 1 1 A 29 29 ASN H H 29 8.214 7.975 0.239 1
1 282 . 15 1 1 A 29 29 ASN HA H 29 4.620 4.929 -0.309 1
1 287 . 15 1 1 A 29 29 ASN C C 29 173.633 175.273 -1.640 1
1 288 . 15 1 1 A 29 29 ASN CA C 29 53.081 51.555 1.526 1
1 289 . 15 1 1 A 29 29 ASN CB C 29 39.330 41.153 -1.823 1
1 290 . 15 1 1 A 29 29 ASN N N 29 117.989 115.732 2.257 1
1 292 . 15 1 1 A 30 30 ASN H H 30 8.383 8.412 -0.029 1
1 293 . 15 1 1 A 30 30 ASN HA H 30 4.231 3.906 0.325 1
1 298 . 15 1 1 A 30 30 ASN C C 30 174.338 174.872 -0.534 1
1 299 . 15 1 1 A 30 30 ASN CA C 30 53.610 56.618 -3.008 1
1 300 . 15 1 1 A 30 30 ASN CB C 30 38.836 38.367 0.469 1
1 301 . 15 1 1 A 30 30 ASN N N 30 120.522 121.971 -1.449 1
1 303 . 15 1 1 A 31 31 SER H H 31 7.941 7.805 0.136 1
1 304 . 15 1 1 A 31 31 SER HA H 31 4.795 4.836 -0.041 1
1 307 . 15 1 1 A 31 31 SER C C 31 174.387 172.140 2.247 1
1 308 . 15 1 1 A 31 31 SER CA C 31 54.843 54.620 0.223 1
1 309 . 15 1 1 A 31 31 SER CB C 31 63.553 65.410 -1.857 1
1 310 . 15 1 1 A 31 31 SER N N 31 112.907 112.184 0.723 1
1 311 . 15 1 1 A 32 32 PRO HA H 32 4.437 4.549 -0.112 1
1 318 . 15 1 1 A 32 32 PRO C C 32 176.844 176.156 0.688 1
1 319 . 15 1 1 A 32 32 PRO CA C 32 62.180 62.157 0.023 1
1 320 . 15 1 1 A 32 32 PRO CB C 32 32.380 32.381 -0.001 1
1 323 . 15 1 1 A 33 33 SER H H 33 8.658 8.359 0.299 1
1 324 . 15 1 1 A 33 33 SER HA H 33 4.462 4.789 -0.327 1
1 327 . 15 1 1 A 33 33 SER C C 33 175.068 175.844 -0.776 1
1 328 . 15 1 1 A 33 33 SER CA C 33 56.539 56.383 0.156 1
1 329 . 15 1 1 A 33 33 SER CB C 33 65.613 66.166 -0.553 1
1 330 . 15 1 1 A 33 33 SER N N 33 117.201 114.135 3.066 1
1 331 . 15 1 1 A 34 34 GLU H H 34 8.983 9.227 -0.244 1
1 332 . 15 1 1 A 34 34 GLU HA H 34 3.885 3.947 -0.062 1
1 337 . 15 1 1 A 34 34 GLU C C 34 179.464 178.452 1.012 1
1 338 . 15 1 1 A 34 34 GLU CA C 34 59.990 59.330 0.660 1
1 339 . 15 1 1 A 34 34 GLU CB C 34 29.031 29.171 -0.140 1
1 341 . 15 1 1 A 34 34 GLU N N 34 120.557 121.405 -0.848 1
1 342 . 15 1 1 A 35 35 GLU H H 35 8.672 8.121 0.551 1
1 343 . 15 1 1 A 35 35 GLU HA H 35 3.989 4.087 -0.098 1
1 348 . 15 1 1 A 35 35 GLU C C 35 179.440 178.772 0.668 1
1 349 . 15 1 1 A 35 35 GLU CA C 35 60.096 59.195 0.901 1
1 350 . 15 1 1 A 35 35 GLU CB C 35 28.949 29.748 -0.799 1
1 352 . 15 1 1 A 35 35 GLU N N 35 119.112 120.114 -1.002 1
1 353 . 15 1 1 A 36 36 GLN H H 36 7.705 8.153 -0.448 1
1 354 . 15 1 1 A 36 36 GLN HA H 36 4.012 4.172 -0.160 1
1 360 . 15 1 1 A 36 36 GLN C C 36 178.372 178.295 0.077 1
1 361 . 15 1 1 A 36 36 GLN CA C 36 58.968 58.632 0.336 1
1 362 . 15 1 1 A 36 36 GLN CB C 36 28.290 28.556 -0.266 1
1 364 . 15 1 1 A 36 36 GLN N N 36 120.638 119.339 1.299 1
1 366 . 15 1 1 A 37 37 ILE H H 37 8.308 8.489 -0.181 1
1 367 . 15 1 1 A 37 37 ILE HA H 37 3.474 3.718 -0.244 1
1 377 . 15 1 1 A 37 37 ILE C C 37 177.400 178.953 -1.553 1
1 378 . 15 1 1 A 37 37 ILE CA C 37 65.173 64.729 0.444 1
1 379 . 15 1 1 A 37 37 ILE CB C 37 36.447 37.734 -1.287 1
1 383 . 15 1 1 A 37 37 ILE N N 37 121.515 120.505 1.010 1
1 384 . 15 1 1 A 38 38 LYS H H 38 7.808 7.979 -0.171 1
1 385 . 15 1 1 A 38 38 LYS HA H 38 3.803 3.968 -0.165 1
1 393 . 15 1 1 A 38 38 LYS C C 38 178.153 178.639 -0.486 1
1 394 . 15 1 1 A 38 38 LYS CA C 38 60.096 59.400 0.696 1
1 395 . 15 1 1 A 38 38 LYS CB C 38 31.833 32.340 -0.507 1
1 399 . 15 1 1 A 38 38 LYS N N 38 120.672 122.375 -1.703 1
1 400 . 15 1 1 A 39 39 GLU H H 39 7.719 8.020 -0.301 1
1 401 . 15 1 1 A 39 39 GLU HA H 39 4.089 4.078 0.011 1
1 406 . 15 1 1 A 39 39 GLU C C 39 179.278 178.462 0.816 1
1 407 . 15 1 1 A 39 39 GLU CA C 39 59.522 59.120 0.402 1
1 408 . 15 1 1 A 39 39 GLU CB C 39 29.773 29.238 0.535 1
1 410 . 15 1 1 A 39 39 GLU N N 39 119.510 117.603 1.907 1
1 411 . 15 1 1 A 40 40 MET H H 40 8.167 8.397 -0.230 1
1 412 . 15 1 1 A 40 40 MET HA H 40 3.599 4.036 -0.437 1
1 420 . 15 1 1 A 40 40 MET C C 40 179.813 178.339 1.474 1
1 421 . 15 1 1 A 40 40 MET CA C 40 59.533 58.758 0.775 1
1 422 . 15 1 1 A 40 40 MET CB C 40 35.410 32.827 2.583 1
1 425 . 15 1 1 A 40 40 MET N N 40 117.312 119.277 -1.965 1
1 426 . 15 1 1 A 41 41 ALA H H 41 8.689 7.867 0.822 1
1 427 . 15 1 1 A 41 41 ALA HA H 41 4.102 4.257 -0.155 1
1 431 . 15 1 1 A 41 41 ALA C C 41 179.610 179.098 0.512 1
1 432 . 15 1 1 A 41 41 ALA CA C 41 55.866 55.101 0.765 1
1 433 . 15 1 1 A 41 41 ALA CB C 41 18.609 18.463 0.146 1
1 434 . 15 1 1 A 41 41 ALA N N 41 128.620 121.248 7.372 1
1 435 . 15 1 1 A 42 42 ASP H H 42 8.324 7.262 1.062 1
1 436 . 15 1 1 A 42 42 ASP HA H 42 4.306 4.523 -0.217 1
1 439 . 15 1 1 A 42 42 ASP C C 42 179.003 178.432 0.571 1
1 440 . 15 1 1 A 42 42 ASP CA C 42 57.241 56.214 1.027 1
1 441 . 15 1 1 A 42 42 ASP CB C 42 40.319 41.045 -0.726 1
1 442 . 15 1 1 A 42 42 ASP N N 42 120.159 117.977 2.182 1
1 443 . 15 1 1 A 43 43 LYS H H 43 8.036 7.796 0.240 1
1 444 . 15 1 1 A 43 43 LYS HA H 43 4.155 4.094 0.061 1
1 452 . 15 1 1 A 43 43 LYS C C 43 178.105 177.843 0.262 1
1 453 . 15 1 1 A 43 43 LYS CA C 43 58.580 58.727 -0.147 1
1 454 . 15 1 1 A 43 43 LYS CB C 43 33.893 32.278 1.615 1
1 458 . 15 1 1 A 43 43 LYS N N 43 116.586 119.027 -2.441 1
1 459 . 15 1 1 A 44 44 SER H H 44 8.314 8.016 0.298 1
1 460 . 15 1 1 A 44 44 SER HA H 44 4.486 4.572 -0.086 1
1 463 . 15 1 1 A 44 44 SER C C 44 175.458 175.343 0.115 1
1 464 . 15 1 1 A 44 44 SER CA C 44 59.955 58.604 1.351 1
1 465 . 15 1 1 A 44 44 SER CB C 44 66.025 65.212 0.813 1
1 466 . 15 1 1 A 44 44 SER N N 44 111.140 110.407 0.733 1
1 467 . 15 1 1 A 45 45 GLY H H 45 8.249 7.805 0.444 1
1 468 . 15 1 1 A 45 45 GLY HA2 H 45 3.872 4.023 -0.151 1
1 469 . 15 1 1 A 45 45 GLY HA3 H 45 4.233 4.025 0.208 1
1 470 . 15 1 1 A 45 45 GLY C C 45 174.317 174.373 -0.056 1
1 471 . 15 1 1 A 45 45 GLY CA C 45 45.889 44.950 0.939 1
1 472 . 15 1 1 A 45 45 GLY N N 45 112.770 110.415 2.355 1
1 473 . 15 1 1 A 46 46 LEU H H 46 7.800 7.612 0.188 1
1 474 . 15 1 1 A 46 46 LEU HA H 46 4.685 4.527 0.158 1
1 484 . 15 1 1 A 46 46 LEU C C 46 174.366 174.607 -0.241 1
1 485 . 15 1 1 A 46 46 LEU CA C 46 52.235 52.801 -0.566 1
1 486 . 15 1 1 A 46 46 LEU CB C 46 43.285 41.365 1.920 1
1 490 . 15 1 1 A 46 46 LEU N N 46 121.722 122.889 -1.167 1
1 491 . 15 1 1 A 47 47 PRO HA H 47 4.542 4.561 -0.019 1
1 497 . 15 1 1 A 47 47 PRO C C 47 178.542 176.528 2.014 1
1 498 . 15 1 1 A 47 47 PRO CA C 47 62.000 62.326 -0.326 1
1 499 . 15 1 1 A 47 47 PRO CB C 47 32.731 33.440 -0.709 1
1 502 . 15 1 1 A 48 48 GLN H H 48 9.124 8.647 0.477 1
1 503 . 15 1 1 A 48 48 GLN HA H 48 3.629 4.076 -0.447 1
1 510 . 15 1 1 A 48 48 GLN C C 48 178.080 178.076 0.004 1
1 511 . 15 1 1 A 48 48 GLN CA C 48 60.872 58.103 2.769 1
1 512 . 15 1 1 A 48 48 GLN CB C 48 28.455 28.431 0.024 1
1 514 . 15 1 1 A 48 48 GLN N N 48 123.862 120.504 3.358 1
1 516 . 15 1 1 A 49 49 LYS H H 49 8.912 7.981 0.931 1
1 517 . 15 1 1 A 49 49 LYS HA H 49 3.969 3.947 0.022 1
1 524 . 15 1 1 A 49 49 LYS C C 49 178.954 178.997 -0.043 1
1 525 . 15 1 1 A 49 49 LYS CA C 49 59.955 59.183 0.772 1
1 526 . 15 1 1 A 49 49 LYS CB C 49 32.327 32.048 0.279 1
1 530 . 15 1 1 A 49 49 LYS N N 49 116.406 118.724 -2.318 1
1 531 . 15 1 1 A 50 50 VAL H H 50 6.874 7.823 -0.949 1
1 532 . 15 1 1 A 50 50 VAL HA H 50 3.835 3.707 0.128 1
1 540 . 15 1 1 A 50 50 VAL C C 50 178.299 177.966 0.333 1
1 541 . 15 1 1 A 50 50 VAL CA C 50 65.560 66.120 -0.560 1
1 542 . 15 1 1 A 50 50 VAL CB C 50 32.080 31.774 0.306 1
1 545 . 15 1 1 A 50 50 VAL N N 50 119.065 120.332 -1.267 1
1 546 . 15 1 1 A 51 51 ILE H H 51 7.503 7.950 -0.447 1
1 547 . 15 1 1 A 51 51 ILE HA H 51 3.672 3.590 0.082 1
1 557 . 15 1 1 A 51 51 ILE C C 51 178.007 178.255 -0.248 1
1 558 . 15 1 1 A 51 51 ILE CA C 51 66.019 65.615 0.404 1
1 559 . 15 1 1 A 51 51 ILE CB C 51 38.081 37.901 0.180 1
1 563 . 15 1 1 A 51 51 ILE N N 51 121.254 120.226 1.028 1
1 564 . 15 1 1 A 52 52 LYS H H 52 8.596 7.946 0.650 1
1 565 . 15 1 1 A 52 52 LYS HA H 52 3.984 4.096 -0.112 1
1 572 . 15 1 1 A 52 52 LYS C C 52 179.302 179.646 -0.344 1
1 573 . 15 1 1 A 52 52 LYS CA C 52 60.978 59.591 1.387 1
1 574 . 15 1 1 A 52 52 LYS CB C 52 32.574 32.390 0.184 1
1 578 . 15 1 1 A 52 52 LYS N N 52 118.531 119.512 -0.981 1
1 579 . 15 1 1 A 53 53 HIS H H 53 7.952 8.014 -0.062 1
1 580 . 15 1 1 A 53 53 HIS HA H 53 4.324 4.374 -0.050 1
1 585 . 15 1 1 A 53 53 HIS C C 53 177.085 177.958 -0.873 1
1 586 . 15 1 1 A 53 53 HIS CA C 53 60.026 59.032 0.994 1
1 587 . 15 1 1 A 53 53 HIS CB C 53 30.867 30.101 0.766 1
1 590 . 15 1 1 A 53 53 HIS N N 53 118.728 118.298 0.430 1
1 591 . 15 1 1 A 54 54 TRP H H 54 8.614 8.466 0.148 1
1 592 . 15 1 1 A 54 54 TRP HA H 54 4.048 4.213 -0.165 1
1 601 . 15 1 1 A 54 54 TRP C C 54 180.144 178.626 1.518 1
1 602 . 15 1 1 A 54 54 TRP CA C 54 62.916 61.208 1.708 1
1 603 . 15 1 1 A 54 54 TRP CB C 54 28.766 29.512 -0.746 1
1 609 . 15 1 1 A 54 54 TRP N N 54 121.845 120.786 1.059 1
1 611 . 15 1 1 A 55 55 PHE H H 55 9.035 8.453 0.582 1
1 612 . 15 1 1 A 55 55 PHE HA H 55 3.786 4.189 -0.403 1
1 620 . 15 1 1 A 55 55 PHE C C 55 178.129 178.281 -0.152 1
1 621 . 15 1 1 A 55 55 PHE CA C 55 63.617 62.332 1.285 1
1 622 . 15 1 1 A 55 55 PHE CB C 55 39.260 38.923 0.337 1
1 628 . 15 1 1 A 55 55 PHE N N 55 120.180 118.016 2.164 1
1 629 . 15 1 1 A 56 56 ARG H H 56 7.962 8.598 -0.636 1
1 630 . 15 1 1 A 56 56 ARG HA H 56 4.095 4.077 0.018 1
1 636 . 15 1 1 A 56 56 ARG C C 56 178.444 178.778 -0.334 1
1 637 . 15 1 1 A 56 56 ARG CA C 56 59.356 59.687 -0.331 1
1 638 . 15 1 1 A 56 56 ARG CB C 56 30.087 29.999 0.088 1
1 641 . 15 1 1 A 56 56 ARG N N 56 118.370 121.198 -2.828 1
1 642 . 15 1 1 A 57 57 ASN H H 57 8.194 8.715 -0.521 1
1 643 . 15 1 1 A 57 57 ASN HA H 57 4.401 4.395 0.006 1
1 648 . 15 1 1 A 57 57 ASN C C 57 176.866 177.950 -1.084 1
1 649 . 15 1 1 A 57 57 ASN CA C 57 55.497 56.166 -0.669 1
1 650 . 15 1 1 A 57 57 ASN CB C 57 38.640 38.335 0.305 1
1 651 . 15 1 1 A 57 57 ASN N N 57 117.190 117.802 -0.612 1
1 653 . 15 1 1 A 58 58 THR H H 58 7.999 7.804 0.195 1
1 654 . 15 1 1 A 58 58 THR HA H 58 3.426 3.719 -0.293 1
1 659 . 15 1 1 A 58 58 THR C C 58 175.361 176.164 -0.803 1
1 660 . 15 1 1 A 58 58 THR CA C 58 65.801 66.991 -1.190 1
1 661 . 15 1 1 A 58 58 THR CB C 58 68.064 67.768 0.296 1
1 663 . 15 1 1 A 58 58 THR N N 58 117.859 116.508 1.351 1
1 664 . 15 1 1 A 59 59 LEU H H 59 7.950 8.205 -0.255 1
1 665 . 15 1 1 A 59 59 LEU HA H 59 4.127 4.215 -0.088 1
1 674 . 15 1 1 A 59 59 LEU C C 59 177.886 178.784 -0.898 1
1 675 . 15 1 1 A 59 59 LEU CA C 59 57.628 58.655 -1.027 1
1 676 . 15 1 1 A 59 59 LEU CB C 59 42.296 42.121 0.175 1
1 680 . 15 1 1 A 59 59 LEU N N 59 122.280 121.416 0.864 1
1 681 . 15 1 1 A 60 60 PHE H H 60 7.797 8.844 -1.047 1
1 682 . 15 1 1 A 60 60 PHE HA H 60 4.309 4.022 0.287 1
1 690 . 15 1 1 A 60 60 PHE C C 60 177.085 177.470 -0.385 1
1 691 . 15 1 1 A 60 60 PHE CA C 60 59.920 61.942 -2.022 1
1 692 . 15 1 1 A 60 60 PHE CB C 60 38.918 39.380 -0.462 1
1 698 . 15 1 1 A 60 60 PHE N N 60 118.008 119.751 -1.743 1
1 699 . 15 1 1 A 61 61 LYS H H 61 7.839 8.024 -0.185 1
1 700 . 15 1 1 A 61 61 LYS HA H 61 4.007 4.002 0.005 1
1 707 . 15 1 1 A 61 61 LYS C C 61 178.032 179.354 -1.322 1
1 708 . 15 1 1 A 61 61 LYS CA C 61 58.016 60.133 -2.117 1
1 709 . 15 1 1 A 61 61 LYS CB C 61 32.657 32.230 0.427 1
1 713 . 15 1 1 A 61 61 LYS N N 61 119.447 117.937 1.510 1
1 714 . 15 1 1 A 62 62 GLU H H 62 8.139 8.085 0.054 1
1 715 . 15 1 1 A 62 62 GLU HA H 62 4.146 4.351 -0.205 1
1 720 . 15 1 1 A 62 62 GLU C C 62 177.595 179.448 -1.853 1
1 721 . 15 1 1 A 62 62 GLU CA C 62 57.699 59.062 -1.363 1
1 722 . 15 1 1 A 62 62 GLU CB C 62 29.608 29.183 0.425 1
1 724 . 15 1 1 A 62 62 GLU N N 62 119.302 119.444 -0.142 1
1 725 . 15 1 1 A 63 63 ARG H H 63 8.015 7.935 0.080 1
1 726 . 15 1 1 A 63 63 ARG HA H 63 4.258 4.086 0.172 1
1 732 . 15 1 1 A 63 63 ARG C C 63 176.769 178.694 -1.925 1
1 733 . 15 1 1 A 63 63 ARG CA C 63 56.677 59.125 -2.448 1
1 734 . 15 1 1 A 63 63 ARG CB C 63 30.514 30.170 0.344 1
1 737 . 15 1 1 A 63 63 ARG N N 63 119.598 119.780 -0.182 1
1 738 . 15 1 1 A 64 64 GLN H H 64 8.058 8.189 -0.131 1
1 739 . 15 1 1 A 64 64 GLN HA H 64 4.242 4.123 0.119 1
1 745 . 15 1 1 A 64 64 GLN C C 64 176.114 176.249 -0.135 1
1 746 . 15 1 1 A 64 64 GLN CA C 64 56.148 58.678 -2.530 1
1 747 . 15 1 1 A 64 64 GLN CB C 64 29.258 28.444 0.814 1
1 749 . 15 1 1 A 64 64 GLN N N 64 120.027 117.656 2.371 1
1 751 . 15 1 1 A 65 65 SER H H 65 8.172 7.668 0.504 1
1 752 . 15 1 1 A 65 65 SER HA H 65 4.457 4.319 0.138 1
1 755 . 15 1 1 A 65 65 SER C C 65 174.487 174.271 0.216 1
1 756 . 15 1 1 A 65 65 SER CA C 65 58.404 58.958 -0.554 1
1 757 . 15 1 1 A 65 65 SER CB C 65 63.965 63.868 0.097 1
1 758 . 15 1 1 A 65 65 SER N N 65 116.070 115.321 0.749 1
1 759 . 15 1 1 A 66 66 GLY H H 66 8.170 8.673 -0.503 1
1 760 . 15 1 1 A 66 66 GLY HA2 H 66 4.141 4.150 -0.009 1
1 761 . 15 1 1 A 66 66 GLY HA3 H 66 4.082 4.151 -0.069 1
1 762 . 15 1 1 A 66 66 GLY C C 66 171.768 173.914 -2.146 1
1 763 . 15 1 1 A 66 66 GLY CA C 66 44.620 44.548 0.072 1
1 764 . 15 1 1 A 66 66 GLY N N 66 110.579 108.977 1.602 1
1 765 . 15 1 1 A 67 67 PRO HA H 67 4.453 4.454 -0.001 1
1 770 . 15 1 1 A 67 67 PRO C C 67 177.400 176.888 0.512 1
1 771 . 15 1 1 A 67 67 PRO CA C 67 63.198 64.524 -1.326 1
1 772 . 15 1 1 A 67 67 PRO CB C 67 32.171 32.000 0.171 1
1 775 . 15 1 1 A 68 68 SER H H 68 8.525 7.697 0.828 1
1 776 . 15 1 1 A 68 68 SER HA H 68 4.490 4.355 0.135 1
1 779 . 15 1 1 A 68 68 SER C C 68 174.657 174.074 0.583 1
1 780 . 15 1 1 A 68 68 SER CA C 68 58.589 58.755 -0.166 1
1 781 . 15 1 1 A 68 68 SER CB C 68 63.800 63.341 0.459 1
1 782 . 15 1 1 A 68 68 SER N N 68 116.415 114.987 1.428 1
1 783 . 15 1 1 A 69 69 SER H H 69 8.316 8.777 -0.461 1
1 784 . 15 1 1 A 69 69 SER HA H 69 4.467 4.930 -0.463 1
1 787 . 15 1 1 A 69 69 SER C C 69 173.953 173.297 0.656 1
1 788 . 15 1 1 A 69 69 SER CA C 69 58.369 57.574 0.795 1
1 789 . 15 1 1 A 69 69 SER CB C 69 64.047 67.745 -3.698 1
1 790 . 15 1 1 A 69 69 SER N N 69 117.832 121.909 -4.077 1
1 1 . 16 1 1 A 7 7 GLY H H 7 8.499 8.715 -0.216 1
1 2 . 16 1 1 A 7 7 GLY HA2 H 7 3.948 3.953 -0.005 1
1 3 . 16 1 1 A 7 7 GLY HA3 H 7 3.948 3.954 -0.006 1
1 4 . 16 1 1 A 7 7 GLY C C 7 173.949 174.887 -0.938 1
1 5 . 16 1 1 A 7 7 GLY CA C 7 45.325 45.641 -0.316 1
1 6 . 16 1 1 A 8 8 LYS H H 8 8.116 8.886 -0.770 1
1 7 . 16 1 1 A 8 8 LYS HA H 8 4.308 3.938 0.370 1
1 14 . 16 1 1 A 8 8 LYS C C 8 176.504 175.982 0.522 1
1 15 . 16 1 1 A 8 8 LYS CA C 8 56.113 57.096 -0.983 1
1 16 . 16 1 1 A 8 8 LYS CB C 8 33.151 31.134 2.017 1
1 20 . 16 1 1 A 8 8 LYS N N 8 120.734 121.895 -1.161 1
1 21 . 16 1 1 A 9 9 ARG H H 9 8.362 7.726 0.636 1
1 22 . 16 1 1 A 9 9 ARG HA H 9 4.590 4.632 -0.042 1
1 27 . 16 1 1 A 9 9 ARG C C 9 176.479 174.440 2.039 1
1 28 . 16 1 1 A 9 9 ARG CA C 9 53.962 53.769 0.193 1
1 29 . 16 1 1 A 9 9 ARG CB C 9 30.103 31.439 -1.336 1
1 32 . 16 1 1 A 9 9 ARG N N 9 123.609 120.815 2.794 1
1 33 . 16 1 1 A 10 10 PRO HA H 10 4.419 4.397 0.022 1
1 39 . 16 1 1 A 10 10 PRO C C 10 176.796 177.499 -0.703 1
1 40 . 16 1 1 A 10 10 PRO CA C 10 62.987 63.722 -0.735 1
1 41 . 16 1 1 A 10 10 PRO CB C 10 32.080 31.896 0.184 1
1 44 . 16 1 1 A 11 11 ARG H H 11 8.517 8.927 -0.410 1
1 45 . 16 1 1 A 11 11 ARG C C 11 176.551 175.033 1.518 1
1 46 . 16 1 1 A 11 11 ARG CA C 11 56.077 56.938 -0.861 1
1 47 . 16 1 1 A 11 11 ARG CB C 11 30.762 28.713 2.049 1
1 48 . 16 1 1 A 11 11 ARG N N 11 121.931 121.859 0.072 1
1 49 . 16 1 1 A 12 12 THR HA H 12 4.260 4.180 0.080 1
1 54 . 16 1 1 A 12 12 THR C C 12 173.904 174.156 -0.252 1
1 55 . 16 1 1 A 12 12 THR CA C 12 62.218 64.201 -1.983 1
1 56 . 16 1 1 A 12 12 THR CB C 12 69.843 69.302 0.541 1
1 58 . 16 1 1 A 13 13 ARG H H 13 8.434 8.659 -0.225 1
1 59 . 16 1 1 A 13 13 ARG HA H 13 4.381 4.836 -0.455 1
1 65 . 16 1 1 A 13 13 ARG C C 13 175.336 175.991 -0.655 1
1 66 . 16 1 1 A 13 13 ARG CA C 13 55.972 55.081 0.891 1
1 67 . 16 1 1 A 13 13 ARG CB C 13 31.059 31.915 -0.856 1
1 70 . 16 1 1 A 13 13 ARG N N 13 125.368 126.838 -1.470 1
1 71 . 16 1 1 A 14 14 ILE H H 14 8.179 8.382 -0.203 1
1 72 . 16 1 1 A 14 14 ILE HA H 14 4.268 4.394 -0.126 1
1 82 . 16 1 1 A 14 14 ILE C C 14 176.844 175.683 1.161 1
1 83 . 16 1 1 A 14 14 ILE CA C 14 61.647 60.680 0.967 1
1 84 . 16 1 1 A 14 14 ILE CB C 14 39.248 37.905 1.343 1
1 88 . 16 1 1 A 14 14 ILE N N 14 123.951 125.704 -1.753 1
1 89 . 16 1 1 A 15 15 THR H H 15 8.922 8.263 0.659 1
1 90 . 16 1 1 A 15 15 THR HA H 15 4.386 4.756 -0.370 1
1 95 . 16 1 1 A 15 15 THR C C 15 175.263 174.686 0.577 1
1 96 . 16 1 1 A 15 15 THR CA C 15 61.402 59.735 1.667 1
1 97 . 16 1 1 A 15 15 THR CB C 15 70.796 71.395 -0.599 1
1 99 . 16 1 1 A 15 15 THR N N 15 119.222 117.461 1.761 1
1 100 . 16 1 1 A 16 16 ASP H H 16 8.951 8.939 0.012 1
1 101 . 16 1 1 A 16 16 ASP HA H 16 4.353 4.351 0.002 1
1 104 . 16 1 1 A 16 16 ASP C C 16 178.888 177.647 1.241 1
1 105 . 16 1 1 A 16 16 ASP CA C 16 58.016 56.587 1.429 1
1 106 . 16 1 1 A 16 16 ASP CB C 16 40.154 40.311 -0.157 1
1 107 . 16 1 1 A 16 16 ASP N N 16 120.852 126.171 -5.319 1
1 108 . 16 1 1 A 17 17 ASP H H 17 8.387 8.118 0.269 1
1 109 . 16 1 1 A 17 17 ASP HA H 17 4.361 4.472 -0.111 1
1 112 . 16 1 1 A 17 17 ASP C C 17 178.815 177.566 1.249 1
1 113 . 16 1 1 A 17 17 ASP CA C 17 57.311 56.148 1.163 1
1 114 . 16 1 1 A 17 17 ASP CB C 17 40.649 40.696 -0.047 1
1 115 . 16 1 1 A 17 17 ASP N N 17 118.488 119.258 -0.770 1
1 116 . 16 1 1 A 18 18 GLN H H 18 7.561 7.565 -0.004 1
1 117 . 16 1 1 A 18 18 GLN HA H 18 3.844 4.253 -0.409 1
1 124 . 16 1 1 A 18 18 GLN C C 18 177.988 178.069 -0.081 1
1 125 . 16 1 1 A 18 18 GLN CA C 18 58.933 57.673 1.260 1
1 126 . 16 1 1 A 18 18 GLN CB C 18 28.702 29.206 -0.504 1
1 128 . 16 1 1 A 18 18 GLN N N 18 119.852 119.406 0.446 1
1 130 . 16 1 1 A 19 19 LEU H H 19 8.538 8.230 0.308 1
1 131 . 16 1 1 A 19 19 LEU HA H 19 3.549 3.706 -0.157 1
1 141 . 16 1 1 A 19 19 LEU C C 19 178.202 178.145 0.057 1
1 142 . 16 1 1 A 19 19 LEU CA C 19 57.593 57.822 -0.229 1
1 143 . 16 1 1 A 19 19 LEU CB C 19 41.720 41.428 0.292 1
1 147 . 16 1 1 A 19 19 LEU N N 19 120.203 121.730 -1.527 1
1 148 . 16 1 1 A 20 20 ARG H H 20 7.644 7.856 -0.212 1
1 149 . 16 1 1 A 20 20 ARG HA H 20 3.893 4.098 -0.205 1
1 155 . 16 1 1 A 20 20 ARG C C 20 179.148 178.375 0.773 1
1 156 . 16 1 1 A 20 20 ARG CA C 20 59.744 58.607 1.137 1
1 157 . 16 1 1 A 20 20 ARG CB C 20 29.855 30.120 -0.265 1
1 160 . 16 1 1 A 20 20 ARG N N 20 117.442 117.485 -0.043 1
1 161 . 16 1 1 A 21 21 VAL H H 21 7.074 7.937 -0.863 1
1 162 . 16 1 1 A 21 21 VAL HA H 21 3.726 3.740 -0.014 1
1 170 . 16 1 1 A 21 21 VAL C C 21 177.643 178.299 -0.656 1
1 171 . 16 1 1 A 21 21 VAL CA C 21 66.098 66.272 -0.174 1
1 172 . 16 1 1 A 21 21 VAL CB C 21 31.750 31.490 0.260 1
1 175 . 16 1 1 A 21 21 VAL N N 21 118.796 120.596 -1.800 1
1 176 . 16 1 1 A 22 22 LEU H H 22 7.620 8.075 -0.455 1
1 177 . 16 1 1 A 22 22 LEU HA H 22 3.947 4.174 -0.227 1
1 187 . 16 1 1 A 22 22 LEU C C 22 178.979 178.832 0.147 1
1 188 . 16 1 1 A 22 22 LEU CA C 22 58.369 57.903 0.466 1
1 189 . 16 1 1 A 22 22 LEU CB C 22 38.869 40.999 -2.130 1
1 193 . 16 1 1 A 22 22 LEU N N 22 119.184 121.009 -1.825 1
1 194 . 16 1 1 A 23 23 ARG H H 23 8.451 8.308 0.143 1
1 195 . 16 1 1 A 23 23 ARG HA H 23 4.054 4.208 -0.154 1
1 202 . 16 1 1 A 23 23 ARG C C 23 178.177 179.682 -1.505 1
1 203 . 16 1 1 A 23 23 ARG CA C 23 59.157 59.610 -0.453 1
1 204 . 16 1 1 A 23 23 ARG CB C 23 29.772 30.014 -0.242 1
1 207 . 16 1 1 A 23 23 ARG N N 23 116.571 119.967 -3.396 1
1 208 . 16 1 1 A 24 24 GLN H H 24 7.749 8.243 -0.494 1
1 209 . 16 1 1 A 24 24 GLN HA H 24 4.129 4.066 0.063 1
1 216 . 16 1 1 A 24 24 GLN C C 24 179.100 178.897 0.203 1
1 217 . 16 1 1 A 24 24 GLN CA C 24 58.827 59.034 -0.207 1
1 218 . 16 1 1 A 24 24 GLN CB C 24 28.290 28.225 0.065 1
1 220 . 16 1 1 A 24 24 GLN N N 24 118.256 118.789 -0.533 1
1 222 . 16 1 1 A 25 25 TYR H H 25 7.902 8.112 -0.210 1
1 223 . 16 1 1 A 25 25 TYR HA H 25 4.295 4.305 -0.010 1
1 230 . 16 1 1 A 25 25 TYR C C 25 178.080 178.323 -0.243 1
1 231 . 16 1 1 A 25 25 TYR CA C 25 61.506 60.599 0.907 1
1 232 . 16 1 1 A 25 25 TYR CB C 25 39.001 38.140 0.861 1
1 237 . 16 1 1 A 25 25 TYR N N 25 117.374 120.565 -3.191 1
1 238 . 16 1 1 A 26 26 PHE H H 26 8.935 8.473 0.462 1
1 239 . 16 1 1 A 26 26 PHE HA H 26 4.366 4.599 -0.233 1
1 247 . 16 1 1 A 26 26 PHE C C 26 175.847 176.639 -0.792 1
1 248 . 16 1 1 A 26 26 PHE CA C 26 61.452 62.327 -0.875 1
1 249 . 16 1 1 A 26 26 PHE CB C 26 39.538 39.425 0.113 1
1 255 . 16 1 1 A 27 27 ASP H H 27 8.138 8.365 -0.227 1
1 256 . 16 1 1 A 27 27 ASP HA H 27 4.407 4.216 0.191 1
1 259 . 16 1 1 A 27 27 ASP C C 27 177.546 178.864 -1.318 1
1 260 . 16 1 1 A 27 27 ASP CA C 27 56.007 57.247 -1.240 1
1 261 . 16 1 1 A 27 27 ASP CB C 27 40.813 40.661 0.152 1
1 262 . 16 1 1 A 27 27 ASP N N 27 116.760 118.908 -2.148 1
1 263 . 16 1 1 A 28 28 ILE H H 28 7.463 7.153 0.310 1
1 264 . 16 1 1 A 28 28 ILE HA H 28 3.945 3.808 0.137 1
1 274 . 16 1 1 A 28 28 ILE C C 28 176.260 176.149 0.111 1
1 275 . 16 1 1 A 28 28 ILE CA C 28 62.881 64.508 -1.627 1
1 276 . 16 1 1 A 28 28 ILE CB C 28 38.836 37.997 0.839 1
1 280 . 16 1 1 A 28 28 ILE N N 28 119.169 117.962 1.207 1
1 281 . 16 1 1 A 29 29 ASN H H 29 8.214 7.706 0.508 1
1 282 . 16 1 1 A 29 29 ASN HA H 29 4.620 4.955 -0.335 1
1 287 . 16 1 1 A 29 29 ASN C C 29 173.633 175.318 -1.685 1
1 288 . 16 1 1 A 29 29 ASN CA C 29 53.081 51.696 1.385 1
1 289 . 16 1 1 A 29 29 ASN CB C 29 39.330 41.320 -1.990 1
1 290 . 16 1 1 A 29 29 ASN N N 29 117.989 115.726 2.263 1
1 292 . 16 1 1 A 30 30 ASN H H 30 8.383 8.522 -0.139 1
1 293 . 16 1 1 A 30 30 ASN HA H 30 4.231 4.002 0.229 1
1 298 . 16 1 1 A 30 30 ASN C C 30 174.338 175.142 -0.804 1
1 299 . 16 1 1 A 30 30 ASN CA C 30 53.610 56.642 -3.032 1
1 300 . 16 1 1 A 30 30 ASN CB C 30 38.836 38.424 0.412 1
1 301 . 16 1 1 A 30 30 ASN N N 30 120.522 122.042 -1.520 1
1 303 . 16 1 1 A 31 31 SER H H 31 7.941 7.897 0.044 1
1 304 . 16 1 1 A 31 31 SER HA H 31 4.795 4.917 -0.122 1
1 307 . 16 1 1 A 31 31 SER C C 31 174.387 172.430 1.957 1
1 308 . 16 1 1 A 31 31 SER CA C 31 54.843 54.786 0.057 1
1 309 . 16 1 1 A 31 31 SER CB C 31 63.553 65.205 -1.652 1
1 310 . 16 1 1 A 31 31 SER N N 31 112.907 112.521 0.386 1
1 311 . 16 1 1 A 32 32 PRO HA H 32 4.437 4.804 -0.367 1
1 318 . 16 1 1 A 32 32 PRO C C 32 176.844 175.399 1.445 1
1 319 . 16 1 1 A 32 32 PRO CA C 32 62.180 62.158 0.022 1
1 320 . 16 1 1 A 32 32 PRO CB C 32 32.380 32.127 0.253 1
1 323 . 16 1 1 A 33 33 SER H H 33 8.658 7.934 0.724 1
1 324 . 16 1 1 A 33 33 SER HA H 33 4.462 4.870 -0.408 1
1 327 . 16 1 1 A 33 33 SER C C 33 175.068 175.433 -0.365 1
1 328 . 16 1 1 A 33 33 SER CA C 33 56.539 57.870 -1.331 1
1 329 . 16 1 1 A 33 33 SER CB C 33 65.613 65.076 0.537 1
1 330 . 16 1 1 A 33 33 SER N N 33 117.201 116.935 0.266 1
1 331 . 16 1 1 A 34 34 GLU H H 34 8.983 8.950 0.033 1
1 332 . 16 1 1 A 34 34 GLU HA H 34 3.885 4.018 -0.133 1
1 337 . 16 1 1 A 34 34 GLU C C 34 179.464 178.444 1.020 1
1 338 . 16 1 1 A 34 34 GLU CA C 34 59.990 59.261 0.729 1
1 339 . 16 1 1 A 34 34 GLU CB C 34 29.031 29.050 -0.019 1
1 341 . 16 1 1 A 34 34 GLU N N 34 120.557 123.378 -2.821 1
1 342 . 16 1 1 A 35 35 GLU H H 35 8.672 7.932 0.740 1
1 343 . 16 1 1 A 35 35 GLU HA H 35 3.989 4.092 -0.103 1
1 348 . 16 1 1 A 35 35 GLU C C 35 179.440 178.749 0.691 1
1 349 . 16 1 1 A 35 35 GLU CA C 35 60.096 59.183 0.913 1
1 350 . 16 1 1 A 35 35 GLU CB C 35 28.949 29.906 -0.957 1
1 352 . 16 1 1 A 35 35 GLU N N 35 119.112 119.454 -0.342 1
1 353 . 16 1 1 A 36 36 GLN H H 36 7.705 8.028 -0.323 1
1 354 . 16 1 1 A 36 36 GLN HA H 36 4.012 3.927 0.085 1
1 360 . 16 1 1 A 36 36 GLN C C 36 178.372 178.324 0.048 1
1 361 . 16 1 1 A 36 36 GLN CA C 36 58.968 58.472 0.496 1
1 362 . 16 1 1 A 36 36 GLN CB C 36 28.290 28.303 -0.013 1
1 364 . 16 1 1 A 36 36 GLN N N 36 120.638 118.519 2.119 1
1 366 . 16 1 1 A 37 37 ILE H H 37 8.308 8.418 -0.110 1
1 367 . 16 1 1 A 37 37 ILE HA H 37 3.474 3.658 -0.184 1
1 377 . 16 1 1 A 37 37 ILE C C 37 177.400 178.721 -1.321 1
1 378 . 16 1 1 A 37 37 ILE CA C 37 65.173 64.569 0.604 1
1 379 . 16 1 1 A 37 37 ILE CB C 37 36.447 37.799 -1.352 1
1 383 . 16 1 1 A 37 37 ILE N N 37 121.515 120.384 1.131 1
1 384 . 16 1 1 A 38 38 LYS H H 38 7.808 7.831 -0.023 1
1 385 . 16 1 1 A 38 38 LYS HA H 38 3.803 4.003 -0.200 1
1 393 . 16 1 1 A 38 38 LYS C C 38 178.153 178.592 -0.439 1
1 394 . 16 1 1 A 38 38 LYS CA C 38 60.096 59.306 0.790 1
1 395 . 16 1 1 A 38 38 LYS CB C 38 31.833 32.570 -0.737 1
1 399 . 16 1 1 A 38 38 LYS N N 38 120.672 122.477 -1.805 1
1 400 . 16 1 1 A 39 39 GLU H H 39 7.719 8.091 -0.372 1
1 401 . 16 1 1 A 39 39 GLU HA H 39 4.089 4.072 0.017 1
1 406 . 16 1 1 A 39 39 GLU C C 39 179.278 178.729 0.549 1
1 407 . 16 1 1 A 39 39 GLU CA C 39 59.522 59.019 0.503 1
1 408 . 16 1 1 A 39 39 GLU CB C 39 29.773 29.045 0.728 1
1 410 . 16 1 1 A 39 39 GLU N N 39 119.510 117.529 1.981 1
1 411 . 16 1 1 A 40 40 MET H H 40 8.167 8.386 -0.219 1
1 412 . 16 1 1 A 40 40 MET HA H 40 3.599 4.169 -0.570 1
1 420 . 16 1 1 A 40 40 MET C C 40 179.813 178.391 1.422 1
1 421 . 16 1 1 A 40 40 MET CA C 40 59.533 58.719 0.814 1
1 422 . 16 1 1 A 40 40 MET CB C 40 35.410 32.889 2.521 1
1 425 . 16 1 1 A 40 40 MET N N 40 117.312 118.939 -1.627 1
1 426 . 16 1 1 A 41 41 ALA H H 41 8.689 7.938 0.751 1
1 427 . 16 1 1 A 41 41 ALA HA H 41 4.102 4.347 -0.245 1
1 431 . 16 1 1 A 41 41 ALA C C 41 179.610 179.022 0.588 1
1 432 . 16 1 1 A 41 41 ALA CA C 41 55.866 54.861 1.005 1
1 433 . 16 1 1 A 41 41 ALA CB C 41 18.609 18.473 0.136 1
1 434 . 16 1 1 A 41 41 ALA N N 41 128.620 121.633 6.987 1
1 435 . 16 1 1 A 42 42 ASP H H 42 8.324 7.167 1.157 1
1 436 . 16 1 1 A 42 42 ASP HA H 42 4.306 4.597 -0.291 1
1 439 . 16 1 1 A 42 42 ASP C C 42 179.003 178.361 0.642 1
1 440 . 16 1 1 A 42 42 ASP CA C 42 57.241 56.088 1.153 1
1 441 . 16 1 1 A 42 42 ASP CB C 42 40.319 41.409 -1.090 1
1 442 . 16 1 1 A 42 42 ASP N N 42 120.159 118.117 2.042 1
1 443 . 16 1 1 A 43 43 LYS H H 43 8.036 7.944 0.092 1
1 444 . 16 1 1 A 43 43 LYS HA H 43 4.155 4.081 0.074 1
1 452 . 16 1 1 A 43 43 LYS C C 43 178.105 178.066 0.039 1
1 453 . 16 1 1 A 43 43 LYS CA C 43 58.580 58.890 -0.310 1
1 454 . 16 1 1 A 43 43 LYS CB C 43 33.893 32.282 1.611 1
1 458 . 16 1 1 A 43 43 LYS N N 43 116.586 119.364 -2.778 1
1 459 . 16 1 1 A 44 44 SER H H 44 8.314 8.111 0.203 1
1 460 . 16 1 1 A 44 44 SER HA H 44 4.486 4.583 -0.097 1
1 463 . 16 1 1 A 44 44 SER C C 44 175.458 175.660 -0.202 1
1 464 . 16 1 1 A 44 44 SER CA C 44 59.955 58.657 1.298 1
1 465 . 16 1 1 A 44 44 SER CB C 44 66.025 65.344 0.681 1
1 466 . 16 1 1 A 44 44 SER N N 44 111.140 110.408 0.732 1
1 467 . 16 1 1 A 45 45 GLY H H 45 8.249 8.273 -0.024 1
1 468 . 16 1 1 A 45 45 GLY HA2 H 45 3.872 3.950 -0.078 1
1 469 . 16 1 1 A 45 45 GLY HA3 H 45 4.233 3.951 0.282 1
1 470 . 16 1 1 A 45 45 GLY C C 45 174.317 174.128 0.189 1
1 471 . 16 1 1 A 45 45 GLY CA C 45 45.889 44.919 0.970 1
1 472 . 16 1 1 A 45 45 GLY N N 45 112.770 110.576 2.194 1
1 473 . 16 1 1 A 46 46 LEU H H 46 7.800 7.426 0.374 1
1 474 . 16 1 1 A 46 46 LEU HA H 46 4.685 4.481 0.204 1
1 484 . 16 1 1 A 46 46 LEU C C 46 174.366 174.632 -0.266 1
1 485 . 16 1 1 A 46 46 LEU CA C 46 52.235 52.551 -0.316 1
1 486 . 16 1 1 A 46 46 LEU CB C 46 43.285 41.456 1.829 1
1 490 . 16 1 1 A 46 46 LEU N N 46 121.722 122.283 -0.561 1
1 491 . 16 1 1 A 47 47 PRO HA H 47 4.542 4.544 -0.002 1
1 497 . 16 1 1 A 47 47 PRO C C 47 178.542 176.590 1.952 1
1 498 . 16 1 1 A 47 47 PRO CA C 47 62.000 62.377 -0.377 1
1 499 . 16 1 1 A 47 47 PRO CB C 47 32.731 33.289 -0.558 1
1 502 . 16 1 1 A 48 48 GLN H H 48 9.124 8.622 0.502 1
1 503 . 16 1 1 A 48 48 GLN HA H 48 3.629 4.056 -0.427 1
1 510 . 16 1 1 A 48 48 GLN C C 48 178.080 178.099 -0.019 1
1 511 . 16 1 1 A 48 48 GLN CA C 48 60.872 58.318 2.554 1
1 512 . 16 1 1 A 48 48 GLN CB C 48 28.455 28.448 0.007 1
1 514 . 16 1 1 A 48 48 GLN N N 48 123.862 120.492 3.370 1
1 516 . 16 1 1 A 49 49 LYS H H 49 8.912 7.969 0.943 1
1 517 . 16 1 1 A 49 49 LYS HA H 49 3.969 4.021 -0.052 1
1 524 . 16 1 1 A 49 49 LYS C C 49 178.954 179.059 -0.105 1
1 525 . 16 1 1 A 49 49 LYS CA C 49 59.955 59.153 0.802 1
1 526 . 16 1 1 A 49 49 LYS CB C 49 32.327 32.031 0.296 1
1 530 . 16 1 1 A 49 49 LYS N N 49 116.406 118.753 -2.347 1
1 531 . 16 1 1 A 50 50 VAL H H 50 6.874 7.729 -0.855 1
1 532 . 16 1 1 A 50 50 VAL HA H 50 3.835 3.552 0.283 1
1 540 . 16 1 1 A 50 50 VAL C C 50 178.299 178.213 0.086 1
1 541 . 16 1 1 A 50 50 VAL CA C 50 65.560 66.361 -0.801 1
1 542 . 16 1 1 A 50 50 VAL CB C 50 32.080 31.578 0.502 1
1 545 . 16 1 1 A 50 50 VAL N N 50 119.065 120.171 -1.106 1
1 546 . 16 1 1 A 51 51 ILE H H 51 7.503 7.997 -0.494 1
1 547 . 16 1 1 A 51 51 ILE HA H 51 3.672 3.670 0.002 1
1 557 . 16 1 1 A 51 51 ILE C C 51 178.007 178.203 -0.196 1
1 558 . 16 1 1 A 51 51 ILE CA C 51 66.019 65.551 0.468 1
1 559 . 16 1 1 A 51 51 ILE CB C 51 38.081 37.947 0.134 1
1 563 . 16 1 1 A 51 51 ILE N N 51 121.254 120.643 0.611 1
1 564 . 16 1 1 A 52 52 LYS H H 52 8.596 8.058 0.538 1
1 565 . 16 1 1 A 52 52 LYS HA H 52 3.984 4.118 -0.134 1
1 572 . 16 1 1 A 52 52 LYS C C 52 179.302 179.687 -0.385 1
1 573 . 16 1 1 A 52 52 LYS CA C 52 60.978 59.617 1.361 1
1 574 . 16 1 1 A 52 52 LYS CB C 52 32.574 32.614 -0.040 1
1 578 . 16 1 1 A 52 52 LYS N N 52 118.531 119.946 -1.415 1
1 579 . 16 1 1 A 53 53 HIS H H 53 7.952 8.152 -0.200 1
1 580 . 16 1 1 A 53 53 HIS HA H 53 4.324 4.388 -0.064 1
1 585 . 16 1 1 A 53 53 HIS C C 53 177.085 177.936 -0.851 1
1 586 . 16 1 1 A 53 53 HIS CA C 53 60.026 59.175 0.851 1
1 587 . 16 1 1 A 53 53 HIS CB C 53 30.867 29.993 0.874 1
1 590 . 16 1 1 A 53 53 HIS N N 53 118.728 118.464 0.264 1
1 591 . 16 1 1 A 54 54 TRP H H 54 8.614 8.518 0.096 1
1 592 . 16 1 1 A 54 54 TRP HA H 54 4.048 4.202 -0.154 1
1 601 . 16 1 1 A 54 54 TRP C C 54 180.144 178.500 1.644 1
1 602 . 16 1 1 A 54 54 TRP CA C 54 62.916 60.976 1.940 1
1 603 . 16 1 1 A 54 54 TRP CB C 54 28.766 29.589 -0.823 1
1 609 . 16 1 1 A 54 54 TRP N N 54 121.845 120.363 1.482 1
1 611 . 16 1 1 A 55 55 PHE H H 55 9.035 8.554 0.481 1
1 612 . 16 1 1 A 55 55 PHE HA H 55 3.786 4.022 -0.236 1
1 620 . 16 1 1 A 55 55 PHE C C 55 178.129 177.966 0.163 1
1 621 . 16 1 1 A 55 55 PHE CA C 55 63.617 62.471 1.146 1
1 622 . 16 1 1 A 55 55 PHE CB C 55 39.260 38.881 0.379 1
1 628 . 16 1 1 A 55 55 PHE N N 55 120.180 118.023 2.157 1
1 629 . 16 1 1 A 56 56 ARG H H 56 7.962 8.578 -0.616 1
1 630 . 16 1 1 A 56 56 ARG HA H 56 4.095 4.055 0.040 1
1 636 . 16 1 1 A 56 56 ARG C C 56 178.444 178.340 0.104 1
1 637 . 16 1 1 A 56 56 ARG CA C 56 59.356 59.505 -0.149 1
1 638 . 16 1 1 A 56 56 ARG CB C 56 30.087 29.941 0.146 1
1 641 . 16 1 1 A 56 56 ARG N N 56 118.370 121.120 -2.750 1
1 642 . 16 1 1 A 57 57 ASN H H 57 8.194 8.552 -0.358 1
1 643 . 16 1 1 A 57 57 ASN HA H 57 4.401 4.458 -0.057 1
1 648 . 16 1 1 A 57 57 ASN C C 57 176.866 177.271 -0.405 1
1 649 . 16 1 1 A 57 57 ASN CA C 57 55.497 55.696 -0.199 1
1 650 . 16 1 1 A 57 57 ASN CB C 57 38.640 39.358 -0.718 1
1 651 . 16 1 1 A 57 57 ASN N N 57 117.190 117.739 -0.549 1
1 653 . 16 1 1 A 58 58 THR H H 58 7.999 7.326 0.673 1
1 654 . 16 1 1 A 58 58 THR HA H 58 3.426 3.766 -0.340 1
1 659 . 16 1 1 A 58 58 THR C C 58 175.361 175.693 -0.332 1
1 660 . 16 1 1 A 58 58 THR CA C 58 65.801 65.798 0.003 1
1 661 . 16 1 1 A 58 58 THR CB C 58 68.064 68.304 -0.240 1
1 663 . 16 1 1 A 58 58 THR N N 58 117.859 115.324 2.535 1
1 664 . 16 1 1 A 59 59 LEU H H 59 7.950 8.569 -0.619 1
1 665 . 16 1 1 A 59 59 LEU HA H 59 4.127 4.186 -0.059 1
1 674 . 16 1 1 A 59 59 LEU C C 59 177.886 178.781 -0.895 1
1 675 . 16 1 1 A 59 59 LEU CA C 59 57.628 58.606 -0.978 1
1 676 . 16 1 1 A 59 59 LEU CB C 59 42.296 41.937 0.359 1
1 680 . 16 1 1 A 59 59 LEU N N 59 122.280 121.279 1.001 1
1 681 . 16 1 1 A 60 60 PHE H H 60 7.797 8.737 -0.940 1
1 682 . 16 1 1 A 60 60 PHE HA H 60 4.309 4.035 0.274 1
1 690 . 16 1 1 A 60 60 PHE C C 60 177.085 177.335 -0.250 1
1 691 . 16 1 1 A 60 60 PHE CA C 60 59.920 61.875 -1.955 1
1 692 . 16 1 1 A 60 60 PHE CB C 60 38.918 39.437 -0.519 1
1 698 . 16 1 1 A 60 60 PHE N N 60 118.008 119.707 -1.699 1
1 699 . 16 1 1 A 61 61 LYS H H 61 7.839 7.971 -0.132 1
1 700 . 16 1 1 A 61 61 LYS HA H 61 4.007 4.066 -0.059 1
1 707 . 16 1 1 A 61 61 LYS C C 61 178.032 178.630 -0.598 1
1 708 . 16 1 1 A 61 61 LYS CA C 61 58.016 59.676 -1.660 1
1 709 . 16 1 1 A 61 61 LYS CB C 61 32.657 32.178 0.479 1
1 713 . 16 1 1 A 61 61 LYS N N 61 119.447 119.175 0.272 1
1 714 . 16 1 1 A 62 62 GLU H H 62 8.139 8.256 -0.117 1
1 715 . 16 1 1 A 62 62 GLU HA H 62 4.146 3.985 0.161 1
1 720 . 16 1 1 A 62 62 GLU C C 62 177.595 179.370 -1.775 1
1 721 . 16 1 1 A 62 62 GLU CA C 62 57.699 59.631 -1.932 1
1 722 . 16 1 1 A 62 62 GLU CB C 62 29.608 29.280 0.328 1
1 724 . 16 1 1 A 62 62 GLU N N 62 119.302 118.368 0.934 1
1 725 . 16 1 1 A 63 63 ARG H H 63 8.015 8.035 -0.020 1
1 726 . 16 1 1 A 63 63 ARG HA H 63 4.258 4.150 0.108 1
1 732 . 16 1 1 A 63 63 ARG C C 63 176.769 178.558 -1.789 1
1 733 . 16 1 1 A 63 63 ARG CA C 63 56.677 59.104 -2.427 1
1 734 . 16 1 1 A 63 63 ARG CB C 63 30.514 30.052 0.462 1
1 737 . 16 1 1 A 63 63 ARG N N 63 119.598 119.236 0.362 1
1 738 . 16 1 1 A 64 64 GLN H H 64 8.058 7.740 0.318 1
1 739 . 16 1 1 A 64 64 GLN HA H 64 4.242 4.067 0.175 1
1 745 . 16 1 1 A 64 64 GLN C C 64 176.114 175.501 0.613 1
1 746 . 16 1 1 A 64 64 GLN CA C 64 56.148 58.290 -2.142 1
1 747 . 16 1 1 A 64 64 GLN CB C 64 29.258 28.485 0.773 1
1 749 . 16 1 1 A 64 64 GLN N N 64 120.027 119.389 0.638 1
1 751 . 16 1 1 A 65 65 SER H H 65 8.172 8.351 -0.179 1
1 752 . 16 1 1 A 65 65 SER HA H 65 4.457 4.909 -0.452 1
1 755 . 16 1 1 A 65 65 SER C C 65 174.487 174.340 0.147 1
1 756 . 16 1 1 A 65 65 SER CA C 65 58.404 56.474 1.930 1
1 757 . 16 1 1 A 65 65 SER CB C 65 63.965 66.088 -2.123 1
1 758 . 16 1 1 A 65 65 SER N N 65 116.070 113.610 2.460 1
1 759 . 16 1 1 A 66 66 GLY H H 66 8.170 8.366 -0.196 1
1 760 . 16 1 1 A 66 66 GLY HA2 H 66 4.141 3.912 0.229 1
1 761 . 16 1 1 A 66 66 GLY HA3 H 66 4.082 3.914 0.168 1
1 762 . 16 1 1 A 66 66 GLY C C 66 171.768 174.118 -2.350 1
1 763 . 16 1 1 A 66 66 GLY CA C 66 44.620 45.682 -1.062 1
1 764 . 16 1 1 A 66 66 GLY N N 66 110.579 114.592 -4.013 1
1 765 . 16 1 1 A 67 67 PRO HA H 67 4.453 4.757 -0.304 1
1 770 . 16 1 1 A 67 67 PRO C C 67 177.400 175.921 1.479 1
1 771 . 16 1 1 A 67 67 PRO CA C 67 63.198 62.434 0.764 1
1 772 . 16 1 1 A 67 67 PRO CB C 67 32.171 29.694 2.477 1
1 775 . 16 1 1 A 68 68 SER H H 68 8.525 8.398 0.127 1
1 776 . 16 1 1 A 68 68 SER HA H 68 4.490 4.848 -0.358 1
1 779 . 16 1 1 A 68 68 SER C C 68 174.657 173.965 0.692 1
1 780 . 16 1 1 A 68 68 SER CA C 68 58.589 57.798 0.791 1
1 781 . 16 1 1 A 68 68 SER CB C 68 63.800 66.432 -2.632 1
1 782 . 16 1 1 A 68 68 SER N N 68 116.415 118.833 -2.418 1
1 783 . 16 1 1 A 69 69 SER H H 69 8.316 9.015 -0.699 1
1 784 . 16 1 1 A 69 69 SER HA H 69 4.467 4.156 0.311 1
1 787 . 16 1 1 A 69 69 SER C C 69 173.953 175.319 -1.366 1
1 788 . 16 1 1 A 69 69 SER CA C 69 58.369 61.906 -3.537 1
1 789 . 16 1 1 A 69 69 SER CB C 69 64.047 63.450 0.597 1
1 790 . 16 1 1 A 69 69 SER N N 69 117.832 119.607 -1.775 1
1 1 . 17 1 1 A 7 7 GLY H H 7 8.499 8.724 -0.225 1
1 2 . 17 1 1 A 7 7 GLY HA2 H 7 3.948 4.041 -0.093 1
1 3 . 17 1 1 A 7 7 GLY HA3 H 7 3.948 4.041 -0.093 1
1 4 . 17 1 1 A 7 7 GLY C C 7 173.949 173.851 0.098 1
1 5 . 17 1 1 A 7 7 GLY CA C 7 45.325 44.634 0.691 1
1 6 . 17 1 1 A 8 8 LYS H H 8 8.116 8.309 -0.193 1
1 7 . 17 1 1 A 8 8 LYS HA H 8 4.308 4.183 0.125 1
1 14 . 17 1 1 A 8 8 LYS C C 8 176.504 176.337 0.167 1
1 15 . 17 1 1 A 8 8 LYS CA C 8 56.113 56.312 -0.199 1
1 16 . 17 1 1 A 8 8 LYS CB C 8 33.151 32.955 0.196 1
1 20 . 17 1 1 A 8 8 LYS N N 8 120.734 121.576 -0.842 1
1 21 . 17 1 1 A 9 9 ARG H H 9 8.362 8.940 -0.578 1
1 22 . 17 1 1 A 9 9 ARG HA H 9 4.590 4.947 -0.357 1
1 27 . 17 1 1 A 9 9 ARG C C 9 176.479 173.604 2.875 1
1 28 . 17 1 1 A 9 9 ARG CA C 9 53.962 53.786 0.176 1
1 29 . 17 1 1 A 9 9 ARG CB C 9 30.103 33.739 -3.636 1
1 32 . 17 1 1 A 9 9 ARG N N 9 123.609 116.470 7.139 1
1 33 . 17 1 1 A 10 10 PRO HA H 10 4.419 4.576 -0.157 1
1 39 . 17 1 1 A 10 10 PRO C C 10 176.796 176.295 0.501 1
1 40 . 17 1 1 A 10 10 PRO CA C 10 62.987 62.456 0.531 1
1 41 . 17 1 1 A 10 10 PRO CB C 10 32.080 32.860 -0.780 1
1 44 . 17 1 1 A 11 11 ARG H H 11 8.517 8.438 0.079 1
1 45 . 17 1 1 A 11 11 ARG C C 11 176.551 175.385 1.166 1
1 46 . 17 1 1 A 11 11 ARG CA C 11 56.077 54.678 1.399 1
1 47 . 17 1 1 A 11 11 ARG CB C 11 30.762 32.901 -2.139 1
1 48 . 17 1 1 A 11 11 ARG N N 11 121.931 117.548 4.383 1
1 49 . 17 1 1 A 12 12 THR HA H 12 4.260 4.438 -0.178 1
1 54 . 17 1 1 A 12 12 THR C C 12 173.904 173.711 0.193 1
1 55 . 17 1 1 A 12 12 THR CA C 12 62.218 62.054 0.164 1
1 56 . 17 1 1 A 12 12 THR CB C 12 69.843 69.579 0.264 1
1 58 . 17 1 1 A 13 13 ARG H H 13 8.434 8.463 -0.029 1
1 59 . 17 1 1 A 13 13 ARG HA H 13 4.381 4.685 -0.304 1
1 65 . 17 1 1 A 13 13 ARG C C 13 175.336 174.048 1.288 1
1 66 . 17 1 1 A 13 13 ARG CA C 13 55.972 55.548 0.424 1
1 67 . 17 1 1 A 13 13 ARG CB C 13 31.059 33.500 -2.441 1
1 70 . 17 1 1 A 13 13 ARG N N 13 125.368 123.392 1.976 1
1 71 . 17 1 1 A 14 14 ILE H H 14 8.179 8.774 -0.595 1
1 72 . 17 1 1 A 14 14 ILE HA H 14 4.268 4.674 -0.406 1
1 82 . 17 1 1 A 14 14 ILE C C 14 176.844 175.571 1.273 1
1 83 . 17 1 1 A 14 14 ILE CA C 14 61.647 60.168 1.479 1
1 84 . 17 1 1 A 14 14 ILE CB C 14 39.248 39.223 0.025 1
1 88 . 17 1 1 A 14 14 ILE N N 14 123.951 127.623 -3.672 1
1 89 . 17 1 1 A 15 15 THR H H 15 8.922 8.351 0.571 1
1 90 . 17 1 1 A 15 15 THR HA H 15 4.386 4.763 -0.377 1
1 95 . 17 1 1 A 15 15 THR C C 15 175.263 174.514 0.749 1
1 96 . 17 1 1 A 15 15 THR CA C 15 61.402 59.717 1.685 1
1 97 . 17 1 1 A 15 15 THR CB C 15 70.796 71.363 -0.567 1
1 99 . 17 1 1 A 15 15 THR N N 15 119.222 118.046 1.176 1
1 100 . 17 1 1 A 16 16 ASP H H 16 8.951 8.963 -0.012 1
1 101 . 17 1 1 A 16 16 ASP HA H 16 4.353 4.302 0.051 1
1 104 . 17 1 1 A 16 16 ASP C C 16 178.888 178.036 0.852 1
1 105 . 17 1 1 A 16 16 ASP CA C 16 58.016 57.366 0.650 1
1 106 . 17 1 1 A 16 16 ASP CB C 16 40.154 40.269 -0.115 1
1 107 . 17 1 1 A 16 16 ASP N N 16 120.852 126.290 -5.438 1
1 108 . 17 1 1 A 17 17 ASP H H 17 8.387 8.337 0.050 1
1 109 . 17 1 1 A 17 17 ASP HA H 17 4.361 4.378 -0.017 1
1 112 . 17 1 1 A 17 17 ASP C C 17 178.815 177.938 0.877 1
1 113 . 17 1 1 A 17 17 ASP CA C 17 57.311 56.430 0.881 1
1 114 . 17 1 1 A 17 17 ASP CB C 17 40.649 40.351 0.298 1
1 115 . 17 1 1 A 17 17 ASP N N 17 118.488 119.343 -0.855 1
1 116 . 17 1 1 A 18 18 GLN H H 18 7.561 7.533 0.028 1
1 117 . 17 1 1 A 18 18 GLN HA H 18 3.844 4.202 -0.358 1
1 124 . 17 1 1 A 18 18 GLN C C 18 177.988 178.010 -0.022 1
1 125 . 17 1 1 A 18 18 GLN CA C 18 58.933 57.981 0.952 1
1 126 . 17 1 1 A 18 18 GLN CB C 18 28.702 28.931 -0.229 1
1 128 . 17 1 1 A 18 18 GLN N N 18 119.852 119.087 0.765 1
1 130 . 17 1 1 A 19 19 LEU H H 19 8.538 8.152 0.386 1
1 131 . 17 1 1 A 19 19 LEU HA H 19 3.549 3.731 -0.182 1
1 141 . 17 1 1 A 19 19 LEU C C 19 178.202 178.217 -0.015 1
1 142 . 17 1 1 A 19 19 LEU CA C 19 57.593 57.774 -0.181 1
1 143 . 17 1 1 A 19 19 LEU CB C 19 41.720 41.371 0.349 1
1 147 . 17 1 1 A 19 19 LEU N N 19 120.203 122.518 -2.315 1
1 148 . 17 1 1 A 20 20 ARG H H 20 7.644 8.019 -0.375 1
1 149 . 17 1 1 A 20 20 ARG HA H 20 3.893 4.113 -0.220 1
1 155 . 17 1 1 A 20 20 ARG C C 20 179.148 178.412 0.736 1
1 156 . 17 1 1 A 20 20 ARG CA C 20 59.744 58.685 1.059 1
1 157 . 17 1 1 A 20 20 ARG CB C 20 29.855 29.968 -0.113 1
1 160 . 17 1 1 A 20 20 ARG N N 20 117.442 117.470 -0.028 1
1 161 . 17 1 1 A 21 21 VAL H H 21 7.074 7.712 -0.638 1
1 162 . 17 1 1 A 21 21 VAL HA H 21 3.726 3.667 0.059 1
1 170 . 17 1 1 A 21 21 VAL C C 21 177.643 178.273 -0.630 1
1 171 . 17 1 1 A 21 21 VAL CA C 21 66.098 66.161 -0.063 1
1 172 . 17 1 1 A 21 21 VAL CB C 21 31.750 31.698 0.052 1
1 175 . 17 1 1 A 21 21 VAL N N 21 118.796 120.705 -1.909 1
1 176 . 17 1 1 A 22 22 LEU H H 22 7.620 7.835 -0.215 1
1 177 . 17 1 1 A 22 22 LEU HA H 22 3.947 3.938 0.009 1
1 187 . 17 1 1 A 22 22 LEU C C 22 178.979 178.791 0.188 1
1 188 . 17 1 1 A 22 22 LEU CA C 22 58.369 57.601 0.768 1
1 189 . 17 1 1 A 22 22 LEU CB C 22 38.869 40.725 -1.856 1
1 193 . 17 1 1 A 22 22 LEU N N 22 119.184 119.553 -0.369 1
1 194 . 17 1 1 A 23 23 ARG H H 23 8.451 8.373 0.078 1
1 195 . 17 1 1 A 23 23 ARG HA H 23 4.054 4.228 -0.174 1
1 202 . 17 1 1 A 23 23 ARG C C 23 178.177 179.638 -1.461 1
1 203 . 17 1 1 A 23 23 ARG CA C 23 59.157 59.693 -0.536 1
1 204 . 17 1 1 A 23 23 ARG CB C 23 29.772 30.061 -0.289 1
1 207 . 17 1 1 A 23 23 ARG N N 23 116.571 119.891 -3.320 1
1 208 . 17 1 1 A 24 24 GLN H H 24 7.749 8.257 -0.508 1
1 209 . 17 1 1 A 24 24 GLN HA H 24 4.129 4.078 0.051 1
1 216 . 17 1 1 A 24 24 GLN C C 24 179.100 178.761 0.339 1
1 217 . 17 1 1 A 24 24 GLN CA C 24 58.827 59.168 -0.341 1
1 218 . 17 1 1 A 24 24 GLN CB C 24 28.290 28.340 -0.050 1
1 220 . 17 1 1 A 24 24 GLN N N 24 118.256 118.899 -0.643 1
1 222 . 17 1 1 A 25 25 TYR H H 25 7.902 8.305 -0.403 1
1 223 . 17 1 1 A 25 25 TYR HA H 25 4.295 4.399 -0.104 1
1 230 . 17 1 1 A 25 25 TYR C C 25 178.080 178.544 -0.464 1
1 231 . 17 1 1 A 25 25 TYR CA C 25 61.506 60.867 0.639 1
1 232 . 17 1 1 A 25 25 TYR CB C 25 39.001 38.337 0.664 1
1 237 . 17 1 1 A 25 25 TYR N N 25 117.374 120.569 -3.195 1
1 238 . 17 1 1 A 26 26 PHE H H 26 8.935 8.443 0.492 1
1 239 . 17 1 1 A 26 26 PHE HA H 26 4.366 4.764 -0.398 1
1 247 . 17 1 1 A 26 26 PHE C C 26 175.847 176.783 -0.936 1
1 248 . 17 1 1 A 26 26 PHE CA C 26 61.452 62.121 -0.669 1
1 249 . 17 1 1 A 26 26 PHE CB C 26 39.538 39.274 0.264 1
1 255 . 17 1 1 A 27 27 ASP H H 27 8.138 8.447 -0.309 1
1 256 . 17 1 1 A 27 27 ASP HA H 27 4.407 4.426 -0.019 1
1 259 . 17 1 1 A 27 27 ASP C C 27 177.546 178.670 -1.124 1
1 260 . 17 1 1 A 27 27 ASP CA C 27 56.007 57.802 -1.795 1
1 261 . 17 1 1 A 27 27 ASP CB C 27 40.813 41.582 -0.769 1
1 262 . 17 1 1 A 27 27 ASP N N 27 116.760 118.981 -2.221 1
1 263 . 17 1 1 A 28 28 ILE H H 28 7.463 7.183 0.280 1
1 264 . 17 1 1 A 28 28 ILE HA H 28 3.945 3.927 0.018 1
1 274 . 17 1 1 A 28 28 ILE C C 28 176.260 176.040 0.220 1
1 275 . 17 1 1 A 28 28 ILE CA C 28 62.881 63.566 -0.685 1
1 276 . 17 1 1 A 28 28 ILE CB C 28 38.836 38.539 0.297 1
1 280 . 17 1 1 A 28 28 ILE N N 28 119.169 118.156 1.013 1
1 281 . 17 1 1 A 29 29 ASN H H 29 8.214 7.779 0.435 1
1 282 . 17 1 1 A 29 29 ASN HA H 29 4.620 4.929 -0.309 1
1 287 . 17 1 1 A 29 29 ASN C C 29 173.633 175.040 -1.407 1
1 288 . 17 1 1 A 29 29 ASN CA C 29 53.081 52.029 1.052 1
1 289 . 17 1 1 A 29 29 ASN CB C 29 39.330 41.505 -2.175 1
1 290 . 17 1 1 A 29 29 ASN N N 29 117.989 115.770 2.219 1
1 292 . 17 1 1 A 30 30 ASN H H 30 8.383 8.487 -0.104 1
1 293 . 17 1 1 A 30 30 ASN HA H 30 4.231 3.884 0.347 1
1 298 . 17 1 1 A 30 30 ASN C C 30 174.338 175.609 -1.271 1
1 299 . 17 1 1 A 30 30 ASN CA C 30 53.610 56.782 -3.172 1
1 300 . 17 1 1 A 30 30 ASN CB C 30 38.836 38.449 0.387 1
1 301 . 17 1 1 A 30 30 ASN N N 30 120.522 121.172 -0.650 1
1 303 . 17 1 1 A 31 31 SER H H 31 7.941 7.926 0.015 1
1 304 . 17 1 1 A 31 31 SER HA H 31 4.795 4.703 0.092 1
1 307 . 17 1 1 A 31 31 SER C C 31 174.387 171.641 2.746 1
1 308 . 17 1 1 A 31 31 SER CA C 31 54.843 55.337 -0.494 1
1 309 . 17 1 1 A 31 31 SER CB C 31 63.553 64.819 -1.266 1
1 310 . 17 1 1 A 31 31 SER N N 31 112.907 112.592 0.315 1
1 311 . 17 1 1 A 32 32 PRO HA H 32 4.437 4.750 -0.313 1
1 318 . 17 1 1 A 32 32 PRO C C 32 176.844 176.112 0.732 1
1 319 . 17 1 1 A 32 32 PRO CA C 32 62.180 62.221 -0.041 1
1 320 . 17 1 1 A 32 32 PRO CB C 32 32.380 32.362 0.018 1
1 323 . 17 1 1 A 33 33 SER H H 33 8.658 8.361 0.297 1
1 324 . 17 1 1 A 33 33 SER HA H 33 4.462 4.790 -0.328 1
1 327 . 17 1 1 A 33 33 SER C C 33 175.068 175.834 -0.766 1
1 328 . 17 1 1 A 33 33 SER CA C 33 56.539 56.322 0.217 1
1 329 . 17 1 1 A 33 33 SER CB C 33 65.613 66.265 -0.652 1
1 330 . 17 1 1 A 33 33 SER N N 33 117.201 114.287 2.914 1
1 331 . 17 1 1 A 34 34 GLU H H 34 8.983 9.202 -0.219 1
1 332 . 17 1 1 A 34 34 GLU HA H 34 3.885 3.983 -0.098 1
1 337 . 17 1 1 A 34 34 GLU C C 34 179.464 178.448 1.016 1
1 338 . 17 1 1 A 34 34 GLU CA C 34 59.990 59.364 0.626 1
1 339 . 17 1 1 A 34 34 GLU CB C 34 29.031 29.255 -0.224 1
1 341 . 17 1 1 A 34 34 GLU N N 34 120.557 121.328 -0.771 1
1 342 . 17 1 1 A 35 35 GLU H H 35 8.672 7.992 0.680 1
1 343 . 17 1 1 A 35 35 GLU HA H 35 3.989 4.130 -0.141 1
1 348 . 17 1 1 A 35 35 GLU C C 35 179.440 178.860 0.580 1
1 349 . 17 1 1 A 35 35 GLU CA C 35 60.096 59.072 1.024 1
1 350 . 17 1 1 A 35 35 GLU CB C 35 28.949 29.911 -0.962 1
1 352 . 17 1 1 A 35 35 GLU N N 35 119.112 120.058 -0.946 1
1 353 . 17 1 1 A 36 36 GLN H H 36 7.705 8.033 -0.328 1
1 354 . 17 1 1 A 36 36 GLN HA H 36 4.012 4.421 -0.409 1
1 360 . 17 1 1 A 36 36 GLN C C 36 178.372 178.381 -0.009 1
1 361 . 17 1 1 A 36 36 GLN CA C 36 58.968 58.626 0.342 1
1 362 . 17 1 1 A 36 36 GLN CB C 36 28.290 28.586 -0.296 1
1 364 . 17 1 1 A 36 36 GLN N N 36 120.638 118.432 2.206 1
1 366 . 17 1 1 A 37 37 ILE H H 37 8.308 8.548 -0.240 1
1 367 . 17 1 1 A 37 37 ILE HA H 37 3.474 3.729 -0.255 1
1 377 . 17 1 1 A 37 37 ILE C C 37 177.400 178.653 -1.253 1
1 378 . 17 1 1 A 37 37 ILE CA C 37 65.173 64.891 0.282 1
1 379 . 17 1 1 A 37 37 ILE CB C 37 36.447 37.666 -1.219 1
1 383 . 17 1 1 A 37 37 ILE N N 37 121.515 120.862 0.653 1
1 384 . 17 1 1 A 38 38 LYS H H 38 7.808 7.891 -0.083 1
1 385 . 17 1 1 A 38 38 LYS HA H 38 3.803 4.032 -0.229 1
1 393 . 17 1 1 A 38 38 LYS C C 38 178.153 178.921 -0.768 1
1 394 . 17 1 1 A 38 38 LYS CA C 38 60.096 59.026 1.070 1
1 395 . 17 1 1 A 38 38 LYS CB C 38 31.833 32.476 -0.643 1
1 399 . 17 1 1 A 38 38 LYS N N 38 120.672 122.451 -1.779 1
1 400 . 17 1 1 A 39 39 GLU H H 39 7.719 8.318 -0.599 1
1 401 . 17 1 1 A 39 39 GLU HA H 39 4.089 4.113 -0.024 1
1 406 . 17 1 1 A 39 39 GLU C C 39 179.278 178.407 0.871 1
1 407 . 17 1 1 A 39 39 GLU CA C 39 59.522 59.273 0.249 1
1 408 . 17 1 1 A 39 39 GLU CB C 39 29.773 28.830 0.943 1
1 410 . 17 1 1 A 39 39 GLU N N 39 119.510 117.671 1.839 1
1 411 . 17 1 1 A 40 40 MET H H 40 8.167 8.318 -0.151 1
1 412 . 17 1 1 A 40 40 MET HA H 40 3.599 4.262 -0.663 1
1 420 . 17 1 1 A 40 40 MET C C 40 179.813 178.238 1.575 1
1 421 . 17 1 1 A 40 40 MET CA C 40 59.533 58.353 1.180 1
1 422 . 17 1 1 A 40 40 MET CB C 40 35.410 32.703 2.707 1
1 425 . 17 1 1 A 40 40 MET N N 40 117.312 118.406 -1.094 1
1 426 . 17 1 1 A 41 41 ALA H H 41 8.689 7.988 0.701 1
1 427 . 17 1 1 A 41 41 ALA HA H 41 4.102 4.337 -0.235 1
1 431 . 17 1 1 A 41 41 ALA C C 41 179.610 179.006 0.604 1
1 432 . 17 1 1 A 41 41 ALA CA C 41 55.866 54.940 0.926 1
1 433 . 17 1 1 A 41 41 ALA CB C 41 18.609 18.506 0.103 1
1 434 . 17 1 1 A 41 41 ALA N N 41 128.620 121.338 7.282 1
1 435 . 17 1 1 A 42 42 ASP H H 42 8.324 7.280 1.044 1
1 436 . 17 1 1 A 42 42 ASP HA H 42 4.306 4.583 -0.277 1
1 439 . 17 1 1 A 42 42 ASP C C 42 179.003 178.502 0.501 1
1 440 . 17 1 1 A 42 42 ASP CA C 42 57.241 56.485 0.756 1
1 441 . 17 1 1 A 42 42 ASP CB C 42 40.319 41.486 -1.167 1
1 442 . 17 1 1 A 42 42 ASP N N 42 120.159 117.917 2.242 1
1 443 . 17 1 1 A 43 43 LYS H H 43 8.036 7.744 0.292 1
1 444 . 17 1 1 A 43 43 LYS HA H 43 4.155 4.015 0.140 1
1 452 . 17 1 1 A 43 43 LYS C C 43 178.105 178.241 -0.136 1
1 453 . 17 1 1 A 43 43 LYS CA C 43 58.580 59.202 -0.622 1
1 454 . 17 1 1 A 43 43 LYS CB C 43 33.893 32.188 1.705 1
1 458 . 17 1 1 A 43 43 LYS N N 43 116.586 119.101 -2.515 1
1 459 . 17 1 1 A 44 44 SER H H 44 8.314 8.044 0.270 1
1 460 . 17 1 1 A 44 44 SER HA H 44 4.486 4.565 -0.079 1
1 463 . 17 1 1 A 44 44 SER C C 44 175.458 175.455 0.003 1
1 464 . 17 1 1 A 44 44 SER CA C 44 59.955 58.815 1.140 1
1 465 . 17 1 1 A 44 44 SER CB C 44 66.025 65.242 0.783 1
1 466 . 17 1 1 A 44 44 SER N N 44 111.140 110.498 0.642 1
1 467 . 17 1 1 A 45 45 GLY H H 45 8.249 7.859 0.390 1
1 468 . 17 1 1 A 45 45 GLY HA2 H 45 3.872 4.007 -0.135 1
1 469 . 17 1 1 A 45 45 GLY HA3 H 45 4.233 4.010 0.223 1
1 470 . 17 1 1 A 45 45 GLY C C 45 174.317 174.242 0.075 1
1 471 . 17 1 1 A 45 45 GLY CA C 45 45.889 44.861 1.028 1
1 472 . 17 1 1 A 45 45 GLY N N 45 112.770 110.554 2.216 1
1 473 . 17 1 1 A 46 46 LEU H H 46 7.800 7.524 0.276 1
1 474 . 17 1 1 A 46 46 LEU HA H 46 4.685 4.520 0.165 1
1 484 . 17 1 1 A 46 46 LEU C C 46 174.366 174.679 -0.313 1
1 485 . 17 1 1 A 46 46 LEU CA C 46 52.235 52.489 -0.254 1
1 486 . 17 1 1 A 46 46 LEU CB C 46 43.285 41.569 1.716 1
1 490 . 17 1 1 A 46 46 LEU N N 46 121.722 122.247 -0.525 1
1 491 . 17 1 1 A 47 47 PRO HA H 47 4.542 4.581 -0.039 1
1 497 . 17 1 1 A 47 47 PRO C C 47 178.542 176.563 1.979 1
1 498 . 17 1 1 A 47 47 PRO CA C 47 62.000 62.330 -0.330 1
1 499 . 17 1 1 A 47 47 PRO CB C 47 32.731 33.414 -0.683 1
1 502 . 17 1 1 A 48 48 GLN H H 48 9.124 8.712 0.412 1
1 503 . 17 1 1 A 48 48 GLN HA H 48 3.629 4.198 -0.569 1
1 510 . 17 1 1 A 48 48 GLN C C 48 178.080 177.589 0.491 1
1 511 . 17 1 1 A 48 48 GLN CA C 48 60.872 57.498 3.374 1
1 512 . 17 1 1 A 48 48 GLN CB C 48 28.455 28.638 -0.183 1
1 514 . 17 1 1 A 48 48 GLN N N 48 123.862 119.753 4.109 1
1 516 . 17 1 1 A 49 49 LYS H H 49 8.912 8.065 0.847 1
1 517 . 17 1 1 A 49 49 LYS HA H 49 3.969 4.142 -0.173 1
1 524 . 17 1 1 A 49 49 LYS C C 49 178.954 179.169 -0.215 1
1 525 . 17 1 1 A 49 49 LYS CA C 49 59.955 59.225 0.730 1
1 526 . 17 1 1 A 49 49 LYS CB C 49 32.327 32.232 0.095 1
1 530 . 17 1 1 A 49 49 LYS N N 49 116.406 118.292 -1.886 1
1 531 . 17 1 1 A 50 50 VAL H H 50 6.874 7.869 -0.995 1
1 532 . 17 1 1 A 50 50 VAL HA H 50 3.835 3.603 0.232 1
1 540 . 17 1 1 A 50 50 VAL C C 50 178.299 178.432 -0.133 1
1 541 . 17 1 1 A 50 50 VAL CA C 50 65.560 66.349 -0.789 1
1 542 . 17 1 1 A 50 50 VAL CB C 50 32.080 31.514 0.566 1
1 545 . 17 1 1 A 50 50 VAL N N 50 119.065 120.228 -1.163 1
1 546 . 17 1 1 A 51 51 ILE H H 51 7.503 7.920 -0.417 1
1 547 . 17 1 1 A 51 51 ILE HA H 51 3.672 3.635 0.037 1
1 557 . 17 1 1 A 51 51 ILE C C 51 178.007 178.244 -0.237 1
1 558 . 17 1 1 A 51 51 ILE CA C 51 66.019 65.716 0.303 1
1 559 . 17 1 1 A 51 51 ILE CB C 51 38.081 37.736 0.345 1
1 563 . 17 1 1 A 51 51 ILE N N 51 121.254 120.917 0.337 1
1 564 . 17 1 1 A 52 52 LYS H H 52 8.596 7.716 0.880 1
1 565 . 17 1 1 A 52 52 LYS HA H 52 3.984 4.126 -0.142 1
1 572 . 17 1 1 A 52 52 LYS C C 52 179.302 179.177 0.125 1
1 573 . 17 1 1 A 52 52 LYS CA C 52 60.978 59.524 1.454 1
1 574 . 17 1 1 A 52 52 LYS CB C 52 32.574 32.385 0.189 1
1 578 . 17 1 1 A 52 52 LYS N N 52 118.531 119.507 -0.976 1
1 579 . 17 1 1 A 53 53 HIS H H 53 7.952 8.119 -0.167 1
1 580 . 17 1 1 A 53 53 HIS HA H 53 4.324 4.407 -0.083 1
1 585 . 17 1 1 A 53 53 HIS C C 53 177.085 176.844 0.241 1
1 586 . 17 1 1 A 53 53 HIS CA C 53 60.026 59.066 0.960 1
1 587 . 17 1 1 A 53 53 HIS CB C 53 30.867 30.104 0.763 1
1 590 . 17 1 1 A 53 53 HIS N N 53 118.728 119.098 -0.370 1
1 591 . 17 1 1 A 54 54 TRP H H 54 8.614 8.331 0.283 1
1 592 . 17 1 1 A 54 54 TRP HA H 54 4.048 4.359 -0.311 1
1 601 . 17 1 1 A 54 54 TRP C C 54 180.144 178.292 1.852 1
1 602 . 17 1 1 A 54 54 TRP CA C 54 62.916 61.222 1.694 1
1 603 . 17 1 1 A 54 54 TRP CB C 54 28.766 29.661 -0.895 1
1 609 . 17 1 1 A 54 54 TRP N N 54 121.845 121.562 0.283 1
1 611 . 17 1 1 A 55 55 PHE H H 55 9.035 8.529 0.506 1
1 612 . 17 1 1 A 55 55 PHE HA H 55 3.786 4.132 -0.346 1
1 620 . 17 1 1 A 55 55 PHE C C 55 178.129 178.269 -0.140 1
1 621 . 17 1 1 A 55 55 PHE CA C 55 63.617 62.278 1.339 1
1 622 . 17 1 1 A 55 55 PHE CB C 55 39.260 38.628 0.632 1
1 628 . 17 1 1 A 55 55 PHE N N 55 120.180 117.893 2.287 1
1 629 . 17 1 1 A 56 56 ARG H H 56 7.962 8.018 -0.056 1
1 630 . 17 1 1 A 56 56 ARG HA H 56 4.095 4.148 -0.053 1
1 636 . 17 1 1 A 56 56 ARG C C 56 178.444 178.561 -0.117 1
1 637 . 17 1 1 A 56 56 ARG CA C 56 59.356 59.662 -0.306 1
1 638 . 17 1 1 A 56 56 ARG CB C 56 30.087 30.283 -0.196 1
1 641 . 17 1 1 A 56 56 ARG N N 56 118.370 120.142 -1.772 1
1 642 . 17 1 1 A 57 57 ASN H H 57 8.194 8.340 -0.146 1
1 643 . 17 1 1 A 57 57 ASN HA H 57 4.401 4.386 0.015 1
1 648 . 17 1 1 A 57 57 ASN C C 57 176.866 176.986 -0.120 1
1 649 . 17 1 1 A 57 57 ASN CA C 57 55.497 56.005 -0.508 1
1 650 . 17 1 1 A 57 57 ASN CB C 57 38.640 39.219 -0.579 1
1 651 . 17 1 1 A 57 57 ASN N N 57 117.190 118.268 -1.078 1
1 653 . 17 1 1 A 58 58 THR H H 58 7.999 7.247 0.752 1
1 654 . 17 1 1 A 58 58 THR HA H 58 3.426 3.967 -0.541 1
1 659 . 17 1 1 A 58 58 THR C C 58 175.361 176.371 -1.010 1
1 660 . 17 1 1 A 58 58 THR CA C 58 65.801 65.416 0.385 1
1 661 . 17 1 1 A 58 58 THR CB C 58 68.064 68.513 -0.449 1
1 663 . 17 1 1 A 58 58 THR N N 58 117.859 113.838 4.021 1
1 664 . 17 1 1 A 59 59 LEU H H 59 7.950 8.749 -0.799 1
1 665 . 17 1 1 A 59 59 LEU HA H 59 4.127 4.212 -0.085 1
1 674 . 17 1 1 A 59 59 LEU C C 59 177.886 178.548 -0.662 1
1 675 . 17 1 1 A 59 59 LEU CA C 59 57.628 58.465 -0.837 1
1 676 . 17 1 1 A 59 59 LEU CB C 59 42.296 42.166 0.130 1
1 680 . 17 1 1 A 59 59 LEU N N 59 122.280 122.532 -0.252 1
1 681 . 17 1 1 A 60 60 PHE H H 60 7.797 8.781 -0.984 1
1 682 . 17 1 1 A 60 60 PHE HA H 60 4.309 4.024 0.285 1
1 690 . 17 1 1 A 60 60 PHE C C 60 177.085 177.527 -0.442 1
1 691 . 17 1 1 A 60 60 PHE CA C 60 59.920 61.749 -1.829 1
1 692 . 17 1 1 A 60 60 PHE CB C 60 38.918 39.330 -0.412 1
1 698 . 17 1 1 A 60 60 PHE N N 60 118.008 119.743 -1.735 1
1 699 . 17 1 1 A 61 61 LYS H H 61 7.839 8.219 -0.380 1
1 700 . 17 1 1 A 61 61 LYS HA H 61 4.007 3.933 0.074 1
1 707 . 17 1 1 A 61 61 LYS C C 61 178.032 178.681 -0.649 1
1 708 . 17 1 1 A 61 61 LYS CA C 61 58.016 59.973 -1.957 1
1 709 . 17 1 1 A 61 61 LYS CB C 61 32.657 32.061 0.596 1
1 713 . 17 1 1 A 61 61 LYS N N 61 119.447 118.711 0.736 1
1 714 . 17 1 1 A 62 62 GLU H H 62 8.139 8.556 -0.417 1
1 715 . 17 1 1 A 62 62 GLU HA H 62 4.146 3.966 0.180 1
1 720 . 17 1 1 A 62 62 GLU C C 62 177.595 179.555 -1.960 1
1 721 . 17 1 1 A 62 62 GLU CA C 62 57.699 59.454 -1.755 1
1 722 . 17 1 1 A 62 62 GLU CB C 62 29.608 29.291 0.317 1
1 724 . 17 1 1 A 62 62 GLU N N 62 119.302 118.693 0.609 1
1 725 . 17 1 1 A 63 63 ARG H H 63 8.015 7.517 0.498 1
1 726 . 17 1 1 A 63 63 ARG HA H 63 4.258 4.211 0.047 1
1 732 . 17 1 1 A 63 63 ARG C C 63 176.769 176.251 0.518 1
1 733 . 17 1 1 A 63 63 ARG CA C 63 56.677 58.806 -2.129 1
1 734 . 17 1 1 A 63 63 ARG CB C 63 30.514 30.471 0.043 1
1 737 . 17 1 1 A 63 63 ARG N N 63 119.598 118.378 1.220 1
1 738 . 17 1 1 A 64 64 GLN H H 64 8.058 7.190 0.868 1
1 739 . 17 1 1 A 64 64 GLN HA H 64 4.242 4.498 -0.256 1
1 745 . 17 1 1 A 64 64 GLN C C 64 176.114 174.567 1.547 1
1 746 . 17 1 1 A 64 64 GLN CA C 64 56.148 54.358 1.790 1
1 747 . 17 1 1 A 64 64 GLN CB C 64 29.258 29.581 -0.323 1
1 749 . 17 1 1 A 64 64 GLN N N 64 120.027 117.386 2.641 1
1 751 . 17 1 1 A 65 65 SER H H 65 8.172 8.666 -0.494 1
1 752 . 17 1 1 A 65 65 SER HA H 65 4.457 5.259 -0.802 1
1 755 . 17 1 1 A 65 65 SER C C 65 174.487 173.938 0.549 1
1 756 . 17 1 1 A 65 65 SER CA C 65 58.404 57.073 1.331 1
1 757 . 17 1 1 A 65 65 SER CB C 65 63.965 66.008 -2.043 1
1 758 . 17 1 1 A 65 65 SER N N 65 116.070 116.381 -0.311 1
1 759 . 17 1 1 A 66 66 GLY H H 66 8.170 8.738 -0.568 1
1 760 . 17 1 1 A 66 66 GLY HA2 H 66 4.141 4.546 -0.405 1
1 761 . 17 1 1 A 66 66 GLY HA3 H 66 4.082 4.548 -0.466 1
1 762 . 17 1 1 A 66 66 GLY C C 66 171.768 173.492 -1.724 1
1 763 . 17 1 1 A 66 66 GLY CA C 66 44.620 45.819 -1.199 1
1 764 . 17 1 1 A 66 66 GLY N N 66 110.579 113.253 -2.674 1
1 765 . 17 1 1 A 67 67 PRO HA H 67 4.453 4.359 0.094 1
1 770 . 17 1 1 A 67 67 PRO C C 67 177.400 178.284 -0.884 1
1 771 . 17 1 1 A 67 67 PRO CA C 67 63.198 64.957 -1.759 1
1 772 . 17 1 1 A 67 67 PRO CB C 67 32.171 31.989 0.182 1
1 775 . 17 1 1 A 68 68 SER H H 68 8.525 8.034 0.491 1
1 776 . 17 1 1 A 68 68 SER HA H 68 4.490 4.230 0.260 1
1 779 . 17 1 1 A 68 68 SER C C 68 174.657 174.309 0.348 1
1 780 . 17 1 1 A 68 68 SER CA C 68 58.589 61.328 -2.739 1
1 781 . 17 1 1 A 68 68 SER CB C 68 63.800 62.986 0.814 1
1 782 . 17 1 1 A 68 68 SER N N 68 116.415 113.104 3.311 1
1 783 . 17 1 1 A 69 69 SER H H 69 8.316 8.077 0.239 1
1 784 . 17 1 1 A 69 69 SER HA H 69 4.467 4.079 0.388 1
1 787 . 17 1 1 A 69 69 SER C C 69 173.953 173.712 0.241 1
1 788 . 17 1 1 A 69 69 SER CA C 69 58.369 59.237 -0.868 1
1 789 . 17 1 1 A 69 69 SER CB C 69 64.047 62.036 2.011 1
1 790 . 17 1 1 A 69 69 SER N N 69 117.832 114.598 3.234 1
1 1 . 18 1 1 A 7 7 GLY H H 7 8.499 8.835 -0.336 1
1 2 . 18 1 1 A 7 7 GLY HA2 H 7 3.948 3.986 -0.038 1
1 3 . 18 1 1 A 7 7 GLY HA3 H 7 3.948 3.986 -0.038 1
1 4 . 18 1 1 A 7 7 GLY C C 7 173.949 173.207 0.742 1
1 5 . 18 1 1 A 7 7 GLY CA C 7 45.325 45.216 0.109 1
1 6 . 18 1 1 A 8 8 LYS H H 8 8.116 8.882 -0.766 1
1 7 . 18 1 1 A 8 8 LYS HA H 8 4.308 4.931 -0.623 1
1 14 . 18 1 1 A 8 8 LYS C C 8 176.504 175.176 1.328 1
1 15 . 18 1 1 A 8 8 LYS CA C 8 56.113 54.073 2.040 1
1 16 . 18 1 1 A 8 8 LYS CB C 8 33.151 36.851 -3.700 1
1 20 . 18 1 1 A 8 8 LYS N N 8 120.734 123.992 -3.258 1
1 21 . 18 1 1 A 9 9 ARG H H 9 8.362 8.327 0.035 1
1 22 . 18 1 1 A 9 9 ARG HA H 9 4.590 4.478 0.112 1
1 27 . 18 1 1 A 9 9 ARG C C 9 176.479 176.274 0.205 1
1 28 . 18 1 1 A 9 9 ARG CA C 9 53.962 54.286 -0.324 1
1 29 . 18 1 1 A 9 9 ARG CB C 9 30.103 31.108 -1.005 1
1 32 . 18 1 1 A 9 9 ARG N N 9 123.609 122.688 0.921 1
1 33 . 18 1 1 A 10 10 PRO HA H 10 4.419 4.466 -0.047 1
1 39 . 18 1 1 A 10 10 PRO C C 10 176.796 176.618 0.178 1
1 40 . 18 1 1 A 10 10 PRO CA C 10 62.987 64.536 -1.549 1
1 41 . 18 1 1 A 10 10 PRO CB C 10 32.080 32.299 -0.219 1
1 44 . 18 1 1 A 11 11 ARG H H 11 8.517 8.275 0.242 1
1 45 . 18 1 1 A 11 11 ARG C C 11 176.551 175.237 1.314 1
1 46 . 18 1 1 A 11 11 ARG CA C 11 56.077 55.008 1.069 1
1 47 . 18 1 1 A 11 11 ARG CB C 11 30.762 32.010 -1.248 1
1 48 . 18 1 1 A 11 11 ARG N N 11 121.931 119.603 2.328 1
1 49 . 18 1 1 A 12 12 THR HA H 12 4.260 4.896 -0.636 1
1 54 . 18 1 1 A 12 12 THR C C 12 173.904 172.704 1.200 1
1 55 . 18 1 1 A 12 12 THR CA C 12 62.218 60.866 1.352 1
1 56 . 18 1 1 A 12 12 THR CB C 12 69.843 72.772 -2.929 1
1 58 . 18 1 1 A 13 13 ARG H H 13 8.434 8.804 -0.370 1
1 59 . 18 1 1 A 13 13 ARG HA H 13 4.381 4.767 -0.386 1
1 65 . 18 1 1 A 13 13 ARG C C 13 175.336 175.741 -0.405 1
1 66 . 18 1 1 A 13 13 ARG CA C 13 55.972 54.903 1.069 1
1 67 . 18 1 1 A 13 13 ARG CB C 13 31.059 31.677 -0.618 1
1 70 . 18 1 1 A 13 13 ARG N N 13 125.368 126.239 -0.871 1
1 71 . 18 1 1 A 14 14 ILE H H 14 8.179 8.447 -0.268 1
1 72 . 18 1 1 A 14 14 ILE HA H 14 4.268 4.644 -0.376 1
1 82 . 18 1 1 A 14 14 ILE C C 14 176.844 176.087 0.757 1
1 83 . 18 1 1 A 14 14 ILE CA C 14 61.647 60.380 1.267 1
1 84 . 18 1 1 A 14 14 ILE CB C 14 39.248 39.314 -0.066 1
1 88 . 18 1 1 A 14 14 ILE N N 14 123.951 124.641 -0.690 1
1 89 . 18 1 1 A 15 15 THR H H 15 8.922 8.663 0.259 1
1 90 . 18 1 1 A 15 15 THR HA H 15 4.386 4.753 -0.367 1
1 95 . 18 1 1 A 15 15 THR C C 15 175.263 175.413 -0.150 1
1 96 . 18 1 1 A 15 15 THR CA C 15 61.402 60.203 1.199 1
1 97 . 18 1 1 A 15 15 THR CB C 15 70.796 71.907 -1.111 1
1 99 . 18 1 1 A 15 15 THR N N 15 119.222 118.105 1.117 1
1 100 . 18 1 1 A 16 16 ASP H H 16 8.951 8.950 0.001 1
1 101 . 18 1 1 A 16 16 ASP HA H 16 4.353 4.289 0.064 1
1 104 . 18 1 1 A 16 16 ASP C C 16 178.888 177.938 0.950 1
1 105 . 18 1 1 A 16 16 ASP CA C 16 58.016 57.642 0.374 1
1 106 . 18 1 1 A 16 16 ASP CB C 16 40.154 40.607 -0.453 1
1 107 . 18 1 1 A 16 16 ASP N N 16 120.852 121.681 -0.829 1
1 108 . 18 1 1 A 17 17 ASP H H 17 8.387 8.240 0.147 1
1 109 . 18 1 1 A 17 17 ASP HA H 17 4.361 4.310 0.051 1
1 112 . 18 1 1 A 17 17 ASP C C 17 178.815 177.730 1.085 1
1 113 . 18 1 1 A 17 17 ASP CA C 17 57.311 56.777 0.534 1
1 114 . 18 1 1 A 17 17 ASP CB C 17 40.649 40.337 0.312 1
1 115 . 18 1 1 A 17 17 ASP N N 17 118.488 119.728 -1.240 1
1 116 . 18 1 1 A 18 18 GLN H H 18 7.561 7.354 0.207 1
1 117 . 18 1 1 A 18 18 GLN HA H 18 3.844 4.305 -0.461 1
1 124 . 18 1 1 A 18 18 GLN C C 18 177.988 178.021 -0.033 1
1 125 . 18 1 1 A 18 18 GLN CA C 18 58.933 57.038 1.895 1
1 126 . 18 1 1 A 18 18 GLN CB C 18 28.702 29.503 -0.801 1
1 128 . 18 1 1 A 18 18 GLN N N 18 119.852 117.728 2.124 1
1 130 . 18 1 1 A 19 19 LEU H H 19 8.538 8.270 0.268 1
1 131 . 18 1 1 A 19 19 LEU HA H 19 3.549 3.726 -0.177 1
1 141 . 18 1 1 A 19 19 LEU C C 19 178.202 178.114 0.088 1
1 142 . 18 1 1 A 19 19 LEU CA C 19 57.593 57.553 0.040 1
1 143 . 18 1 1 A 19 19 LEU CB C 19 41.720 41.507 0.213 1
1 147 . 18 1 1 A 19 19 LEU N N 19 120.203 121.826 -1.623 1
1 148 . 18 1 1 A 20 20 ARG H H 20 7.644 8.485 -0.841 1
1 149 . 18 1 1 A 20 20 ARG HA H 20 3.893 4.072 -0.179 1
1 155 . 18 1 1 A 20 20 ARG C C 20 179.148 178.543 0.605 1
1 156 . 18 1 1 A 20 20 ARG CA C 20 59.744 58.563 1.181 1
1 157 . 18 1 1 A 20 20 ARG CB C 20 29.855 30.168 -0.313 1
1 160 . 18 1 1 A 20 20 ARG N N 20 117.442 117.319 0.123 1
1 161 . 18 1 1 A 21 21 VAL H H 21 7.074 7.938 -0.864 1
1 162 . 18 1 1 A 21 21 VAL HA H 21 3.726 3.784 -0.058 1
1 170 . 18 1 1 A 21 21 VAL C C 21 177.643 178.520 -0.877 1
1 171 . 18 1 1 A 21 21 VAL CA C 21 66.098 66.059 0.039 1
1 172 . 18 1 1 A 21 21 VAL CB C 21 31.750 31.616 0.134 1
1 175 . 18 1 1 A 21 21 VAL N N 21 118.796 120.506 -1.710 1
1 176 . 18 1 1 A 22 22 LEU H H 22 7.620 7.800 -0.180 1
1 177 . 18 1 1 A 22 22 LEU HA H 22 3.947 4.010 -0.063 1
1 187 . 18 1 1 A 22 22 LEU C C 22 178.979 178.883 0.096 1
1 188 . 18 1 1 A 22 22 LEU CA C 22 58.369 57.478 0.891 1
1 189 . 18 1 1 A 22 22 LEU CB C 22 38.869 40.901 -2.032 1
1 193 . 18 1 1 A 22 22 LEU N N 22 119.184 120.111 -0.927 1
1 194 . 18 1 1 A 23 23 ARG H H 23 8.451 8.122 0.329 1
1 195 . 18 1 1 A 23 23 ARG HA H 23 4.054 4.251 -0.197 1
1 202 . 18 1 1 A 23 23 ARG C C 23 178.177 179.523 -1.346 1
1 203 . 18 1 1 A 23 23 ARG CA C 23 59.157 59.549 -0.392 1
1 204 . 18 1 1 A 23 23 ARG CB C 23 29.772 30.356 -0.584 1
1 207 . 18 1 1 A 23 23 ARG N N 23 116.571 120.352 -3.781 1
1 208 . 18 1 1 A 24 24 GLN H H 24 7.749 8.263 -0.514 1
1 209 . 18 1 1 A 24 24 GLN HA H 24 4.129 4.046 0.083 1
1 216 . 18 1 1 A 24 24 GLN C C 24 179.100 178.642 0.458 1
1 217 . 18 1 1 A 24 24 GLN CA C 24 58.827 59.123 -0.296 1
1 218 . 18 1 1 A 24 24 GLN CB C 24 28.290 28.265 0.025 1
1 220 . 18 1 1 A 24 24 GLN N N 24 118.256 119.013 -0.757 1
1 222 . 18 1 1 A 25 25 TYR H H 25 7.902 8.279 -0.377 1
1 223 . 18 1 1 A 25 25 TYR HA H 25 4.295 4.327 -0.032 1
1 230 . 18 1 1 A 25 25 TYR C C 25 178.080 178.571 -0.491 1
1 231 . 18 1 1 A 25 25 TYR CA C 25 61.506 60.700 0.806 1
1 232 . 18 1 1 A 25 25 TYR CB C 25 39.001 38.286 0.715 1
1 237 . 18 1 1 A 25 25 TYR N N 25 117.374 120.550 -3.176 1
1 238 . 18 1 1 A 26 26 PHE H H 26 8.935 8.597 0.338 1
1 239 . 18 1 1 A 26 26 PHE HA H 26 4.366 4.653 -0.287 1
1 247 . 18 1 1 A 26 26 PHE C C 26 175.847 176.708 -0.861 1
1 248 . 18 1 1 A 26 26 PHE CA C 26 61.452 62.049 -0.597 1
1 249 . 18 1 1 A 26 26 PHE CB C 26 39.538 39.356 0.182 1
1 255 . 18 1 1 A 27 27 ASP H H 27 8.138 8.347 -0.209 1
1 256 . 18 1 1 A 27 27 ASP HA H 27 4.407 4.480 -0.073 1
1 259 . 18 1 1 A 27 27 ASP C C 27 177.546 178.581 -1.035 1
1 260 . 18 1 1 A 27 27 ASP CA C 27 56.007 57.666 -1.659 1
1 261 . 18 1 1 A 27 27 ASP CB C 27 40.813 41.969 -1.156 1
1 262 . 18 1 1 A 27 27 ASP N N 27 116.760 119.128 -2.368 1
1 263 . 18 1 1 A 28 28 ILE H H 28 7.463 7.140 0.323 1
1 264 . 18 1 1 A 28 28 ILE HA H 28 3.945 4.048 -0.103 1
1 274 . 18 1 1 A 28 28 ILE C C 28 176.260 176.650 -0.390 1
1 275 . 18 1 1 A 28 28 ILE CA C 28 62.881 63.320 -0.439 1
1 276 . 18 1 1 A 28 28 ILE CB C 28 38.836 38.519 0.317 1
1 280 . 18 1 1 A 28 28 ILE N N 28 119.169 117.246 1.923 1
1 281 . 18 1 1 A 29 29 ASN H H 29 8.214 7.985 0.229 1
1 282 . 18 1 1 A 29 29 ASN HA H 29 4.620 4.866 -0.246 1
1 287 . 18 1 1 A 29 29 ASN C C 29 173.633 175.273 -1.640 1
1 288 . 18 1 1 A 29 29 ASN CA C 29 53.081 52.919 0.162 1
1 289 . 18 1 1 A 29 29 ASN CB C 29 39.330 40.900 -1.570 1
1 290 . 18 1 1 A 29 29 ASN N N 29 117.989 117.469 0.520 1
1 292 . 18 1 1 A 30 30 ASN H H 30 8.383 8.564 -0.181 1
1 293 . 18 1 1 A 30 30 ASN HA H 30 4.231 3.826 0.405 1
1 298 . 18 1 1 A 30 30 ASN C C 30 174.338 175.232 -0.894 1
1 299 . 18 1 1 A 30 30 ASN CA C 30 53.610 56.502 -2.892 1
1 300 . 18 1 1 A 30 30 ASN CB C 30 38.836 38.332 0.504 1
1 301 . 18 1 1 A 30 30 ASN N N 30 120.522 122.927 -2.405 1
1 303 . 18 1 1 A 31 31 SER H H 31 7.941 7.544 0.397 1
1 304 . 18 1 1 A 31 31 SER HA H 31 4.795 4.439 0.356 1
1 307 . 18 1 1 A 31 31 SER C C 31 174.387 172.292 2.095 1
1 308 . 18 1 1 A 31 31 SER CA C 31 54.843 54.992 -0.149 1
1 309 . 18 1 1 A 31 31 SER CB C 31 63.553 64.463 -0.910 1
1 310 . 18 1 1 A 31 31 SER N N 31 112.907 110.495 2.412 1
1 311 . 18 1 1 A 32 32 PRO HA H 32 4.437 4.872 -0.435 1
1 318 . 18 1 1 A 32 32 PRO C C 32 176.844 175.448 1.396 1
1 319 . 18 1 1 A 32 32 PRO CA C 32 62.180 62.139 0.041 1
1 320 . 18 1 1 A 32 32 PRO CB C 32 32.380 32.139 0.241 1
1 323 . 18 1 1 A 33 33 SER H H 33 8.658 8.467 0.191 1
1 324 . 18 1 1 A 33 33 SER HA H 33 4.462 4.727 -0.265 1
1 327 . 18 1 1 A 33 33 SER C C 33 175.068 175.278 -0.210 1
1 328 . 18 1 1 A 33 33 SER CA C 33 56.539 56.638 -0.099 1
1 329 . 18 1 1 A 33 33 SER CB C 33 65.613 65.272 0.341 1
1 330 . 18 1 1 A 33 33 SER N N 33 117.201 116.725 0.476 1
1 331 . 18 1 1 A 34 34 GLU H H 34 8.983 9.054 -0.071 1
1 332 . 18 1 1 A 34 34 GLU HA H 34 3.885 3.944 -0.059 1
1 337 . 18 1 1 A 34 34 GLU C C 34 179.464 178.446 1.018 1
1 338 . 18 1 1 A 34 34 GLU CA C 34 59.990 59.216 0.774 1
1 339 . 18 1 1 A 34 34 GLU CB C 34 29.031 29.175 -0.144 1
1 341 . 18 1 1 A 34 34 GLU N N 34 120.557 126.936 -6.379 1
1 342 . 18 1 1 A 35 35 GLU H H 35 8.672 7.849 0.823 1
1 343 . 18 1 1 A 35 35 GLU HA H 35 3.989 4.082 -0.093 1
1 348 . 18 1 1 A 35 35 GLU C C 35 179.440 178.679 0.761 1
1 349 . 18 1 1 A 35 35 GLU CA C 35 60.096 59.062 1.034 1
1 350 . 18 1 1 A 35 35 GLU CB C 35 28.949 29.661 -0.712 1
1 352 . 18 1 1 A 35 35 GLU N N 35 119.112 119.760 -0.648 1
1 353 . 18 1 1 A 36 36 GLN H H 36 7.705 8.147 -0.442 1
1 354 . 18 1 1 A 36 36 GLN HA H 36 4.012 4.445 -0.433 1
1 360 . 18 1 1 A 36 36 GLN C C 36 178.372 178.300 0.072 1
1 361 . 18 1 1 A 36 36 GLN CA C 36 58.968 58.444 0.524 1
1 362 . 18 1 1 A 36 36 GLN CB C 36 28.290 28.191 0.099 1
1 364 . 18 1 1 A 36 36 GLN N N 36 120.638 119.250 1.388 1
1 366 . 18 1 1 A 37 37 ILE H H 37 8.308 8.393 -0.085 1
1 367 . 18 1 1 A 37 37 ILE HA H 37 3.474 3.684 -0.210 1
1 377 . 18 1 1 A 37 37 ILE C C 37 177.400 178.690 -1.290 1
1 378 . 18 1 1 A 37 37 ILE CA C 37 65.173 64.925 0.248 1
1 379 . 18 1 1 A 37 37 ILE CB C 37 36.447 37.699 -1.252 1
1 383 . 18 1 1 A 37 37 ILE N N 37 121.515 120.483 1.032 1
1 384 . 18 1 1 A 38 38 LYS H H 38 7.808 7.881 -0.073 1
1 385 . 18 1 1 A 38 38 LYS HA H 38 3.803 4.012 -0.209 1
1 393 . 18 1 1 A 38 38 LYS C C 38 178.153 178.769 -0.616 1
1 394 . 18 1 1 A 38 38 LYS CA C 38 60.096 59.320 0.776 1
1 395 . 18 1 1 A 38 38 LYS CB C 38 31.833 32.559 -0.726 1
1 399 . 18 1 1 A 38 38 LYS N N 38 120.672 122.310 -1.638 1
1 400 . 18 1 1 A 39 39 GLU H H 39 7.719 8.201 -0.482 1
1 401 . 18 1 1 A 39 39 GLU HA H 39 4.089 4.080 0.009 1
1 406 . 18 1 1 A 39 39 GLU C C 39 179.278 178.394 0.884 1
1 407 . 18 1 1 A 39 39 GLU CA C 39 59.522 59.139 0.383 1
1 408 . 18 1 1 A 39 39 GLU CB C 39 29.773 28.925 0.848 1
1 410 . 18 1 1 A 39 39 GLU N N 39 119.510 117.502 2.008 1
1 411 . 18 1 1 A 40 40 MET H H 40 8.167 8.388 -0.221 1
1 412 . 18 1 1 A 40 40 MET HA H 40 3.599 4.228 -0.629 1
1 420 . 18 1 1 A 40 40 MET C C 40 179.813 178.311 1.502 1
1 421 . 18 1 1 A 40 40 MET CA C 40 59.533 58.606 0.927 1
1 422 . 18 1 1 A 40 40 MET CB C 40 35.410 32.992 2.418 1
1 425 . 18 1 1 A 40 40 MET N N 40 117.312 118.488 -1.176 1
1 426 . 18 1 1 A 41 41 ALA H H 41 8.689 7.992 0.697 1
1 427 . 18 1 1 A 41 41 ALA HA H 41 4.102 4.377 -0.275 1
1 431 . 18 1 1 A 41 41 ALA C C 41 179.610 178.980 0.630 1
1 432 . 18 1 1 A 41 41 ALA CA C 41 55.866 54.871 0.995 1
1 433 . 18 1 1 A 41 41 ALA CB C 41 18.609 18.502 0.107 1
1 434 . 18 1 1 A 41 41 ALA N N 41 128.620 121.513 7.107 1
1 435 . 18 1 1 A 42 42 ASP H H 42 8.324 7.157 1.167 1
1 436 . 18 1 1 A 42 42 ASP HA H 42 4.306 4.614 -0.308 1
1 439 . 18 1 1 A 42 42 ASP C C 42 179.003 178.505 0.498 1
1 440 . 18 1 1 A 42 42 ASP CA C 42 57.241 56.185 1.056 1
1 441 . 18 1 1 A 42 42 ASP CB C 42 40.319 41.524 -1.205 1
1 442 . 18 1 1 A 42 42 ASP N N 42 120.159 117.898 2.261 1
1 443 . 18 1 1 A 43 43 LYS H H 43 8.036 7.596 0.440 1
1 444 . 18 1 1 A 43 43 LYS HA H 43 4.155 3.994 0.161 1
1 452 . 18 1 1 A 43 43 LYS C C 43 178.105 178.562 -0.457 1
1 453 . 18 1 1 A 43 43 LYS CA C 43 58.580 59.391 -0.811 1
1 454 . 18 1 1 A 43 43 LYS CB C 43 33.893 32.287 1.606 1
1 458 . 18 1 1 A 43 43 LYS N N 43 116.586 119.187 -2.601 1
1 459 . 18 1 1 A 44 44 SER H H 44 8.314 8.208 0.106 1
1 460 . 18 1 1 A 44 44 SER HA H 44 4.486 4.502 -0.016 1
1 463 . 18 1 1 A 44 44 SER C C 44 175.458 175.289 0.169 1
1 464 . 18 1 1 A 44 44 SER CA C 44 59.955 58.963 0.992 1
1 465 . 18 1 1 A 44 44 SER CB C 44 66.025 64.602 1.423 1
1 466 . 18 1 1 A 44 44 SER N N 44 111.140 110.984 0.156 1
1 467 . 18 1 1 A 45 45 GLY H H 45 8.249 8.052 0.197 1
1 468 . 18 1 1 A 45 45 GLY HA2 H 45 3.872 4.042 -0.170 1
1 469 . 18 1 1 A 45 45 GLY HA3 H 45 4.233 4.044 0.189 1
1 470 . 18 1 1 A 45 45 GLY C C 45 174.317 174.035 0.282 1
1 471 . 18 1 1 A 45 45 GLY CA C 45 45.889 44.836 1.053 1
1 472 . 18 1 1 A 45 45 GLY N N 45 112.770 110.503 2.267 1
1 473 . 18 1 1 A 46 46 LEU H H 46 7.800 7.632 0.168 1
1 474 . 18 1 1 A 46 46 LEU HA H 46 4.685 4.581 0.104 1
1 484 . 18 1 1 A 46 46 LEU C C 46 174.366 174.733 -0.367 1
1 485 . 18 1 1 A 46 46 LEU CA C 46 52.235 52.253 -0.018 1
1 486 . 18 1 1 A 46 46 LEU CB C 46 43.285 41.932 1.353 1
1 490 . 18 1 1 A 46 46 LEU N N 46 121.722 121.745 -0.023 1
1 491 . 18 1 1 A 47 47 PRO HA H 47 4.542 4.567 -0.025 1
1 497 . 18 1 1 A 47 47 PRO C C 47 178.542 176.606 1.936 1
1 498 . 18 1 1 A 47 47 PRO CA C 47 62.000 62.358 -0.358 1
1 499 . 18 1 1 A 47 47 PRO CB C 47 32.731 33.358 -0.627 1
1 502 . 18 1 1 A 48 48 GLN H H 48 9.124 8.621 0.503 1
1 503 . 18 1 1 A 48 48 GLN HA H 48 3.629 4.031 -0.402 1
1 510 . 18 1 1 A 48 48 GLN C C 48 178.080 178.269 -0.189 1
1 511 . 18 1 1 A 48 48 GLN CA C 48 60.872 58.652 2.220 1
1 512 . 18 1 1 A 48 48 GLN CB C 48 28.455 28.652 -0.197 1
1 514 . 18 1 1 A 48 48 GLN N N 48 123.862 120.503 3.359 1
1 516 . 18 1 1 A 49 49 LYS H H 49 8.912 8.056 0.856 1
1 517 . 18 1 1 A 49 49 LYS HA H 49 3.969 3.964 0.005 1
1 524 . 18 1 1 A 49 49 LYS C C 49 178.954 179.127 -0.173 1
1 525 . 18 1 1 A 49 49 LYS CA C 49 59.955 59.146 0.809 1
1 526 . 18 1 1 A 49 49 LYS CB C 49 32.327 32.118 0.209 1
1 530 . 18 1 1 A 49 49 LYS N N 49 116.406 119.026 -2.620 1
1 531 . 18 1 1 A 50 50 VAL H H 50 6.874 7.782 -0.908 1
1 532 . 18 1 1 A 50 50 VAL HA H 50 3.835 3.764 0.071 1
1 540 . 18 1 1 A 50 50 VAL C C 50 178.299 178.012 0.287 1
1 541 . 18 1 1 A 50 50 VAL CA C 50 65.560 66.325 -0.765 1
1 542 . 18 1 1 A 50 50 VAL CB C 50 32.080 31.780 0.300 1
1 545 . 18 1 1 A 50 50 VAL N N 50 119.065 120.291 -1.226 1
1 546 . 18 1 1 A 51 51 ILE H H 51 7.503 8.025 -0.522 1
1 547 . 18 1 1 A 51 51 ILE HA H 51 3.672 3.626 0.046 1
1 557 . 18 1 1 A 51 51 ILE C C 51 178.007 178.084 -0.077 1
1 558 . 18 1 1 A 51 51 ILE CA C 51 66.019 65.711 0.308 1
1 559 . 18 1 1 A 51 51 ILE CB C 51 38.081 38.074 0.007 1
1 563 . 18 1 1 A 51 51 ILE N N 51 121.254 120.081 1.173 1
1 564 . 18 1 1 A 52 52 LYS H H 52 8.596 8.024 0.572 1
1 565 . 18 1 1 A 52 52 LYS HA H 52 3.984 4.110 -0.126 1
1 572 . 18 1 1 A 52 52 LYS C C 52 179.302 179.620 -0.318 1
1 573 . 18 1 1 A 52 52 LYS CA C 52 60.978 59.434 1.544 1
1 574 . 18 1 1 A 52 52 LYS CB C 52 32.574 32.343 0.231 1
1 578 . 18 1 1 A 52 52 LYS N N 52 118.531 120.075 -1.544 1
1 579 . 18 1 1 A 53 53 HIS H H 53 7.952 8.302 -0.350 1
1 580 . 18 1 1 A 53 53 HIS HA H 53 4.324 4.292 0.032 1
1 585 . 18 1 1 A 53 53 HIS C C 53 177.085 178.139 -1.054 1
1 586 . 18 1 1 A 53 53 HIS CA C 53 60.026 58.964 1.062 1
1 587 . 18 1 1 A 53 53 HIS CB C 53 30.867 30.409 0.458 1
1 590 . 18 1 1 A 53 53 HIS N N 53 118.728 118.283 0.445 1
1 591 . 18 1 1 A 54 54 TRP H H 54 8.614 8.593 0.021 1
1 592 . 18 1 1 A 54 54 TRP HA H 54 4.048 4.352 -0.304 1
1 601 . 18 1 1 A 54 54 TRP C C 54 180.144 178.274 1.870 1
1 602 . 18 1 1 A 54 54 TRP CA C 54 62.916 61.215 1.701 1
1 603 . 18 1 1 A 54 54 TRP CB C 54 28.766 29.591 -0.825 1
1 609 . 18 1 1 A 54 54 TRP N N 54 121.845 121.599 0.246 1
1 611 . 18 1 1 A 55 55 PHE H H 55 9.035 8.563 0.472 1
1 612 . 18 1 1 A 55 55 PHE HA H 55 3.786 4.089 -0.303 1
1 620 . 18 1 1 A 55 55 PHE C C 55 178.129 178.003 0.126 1
1 621 . 18 1 1 A 55 55 PHE CA C 55 63.617 62.310 1.307 1
1 622 . 18 1 1 A 55 55 PHE CB C 55 39.260 38.498 0.762 1
1 628 . 18 1 1 A 55 55 PHE N N 55 120.180 118.189 1.991 1
1 629 . 18 1 1 A 56 56 ARG H H 56 7.962 8.157 -0.195 1
1 630 . 18 1 1 A 56 56 ARG HA H 56 4.095 4.046 0.049 1
1 636 . 18 1 1 A 56 56 ARG C C 56 178.444 178.560 -0.116 1
1 637 . 18 1 1 A 56 56 ARG CA C 56 59.356 59.803 -0.447 1
1 638 . 18 1 1 A 56 56 ARG CB C 56 30.087 29.997 0.090 1
1 641 . 18 1 1 A 56 56 ARG N N 56 118.370 120.907 -2.537 1
1 642 . 18 1 1 A 57 57 ASN H H 57 8.194 8.326 -0.132 1
1 643 . 18 1 1 A 57 57 ASN HA H 57 4.401 4.434 -0.033 1
1 648 . 18 1 1 A 57 57 ASN C C 57 176.866 177.529 -0.663 1
1 649 . 18 1 1 A 57 57 ASN CA C 57 55.497 56.113 -0.616 1
1 650 . 18 1 1 A 57 57 ASN CB C 57 38.640 39.661 -1.021 1
1 651 . 18 1 1 A 57 57 ASN N N 57 117.190 118.232 -1.042 1
1 653 . 18 1 1 A 58 58 THR H H 58 7.999 7.615 0.384 1
1 654 . 18 1 1 A 58 58 THR HA H 58 3.426 3.888 -0.462 1
1 659 . 18 1 1 A 58 58 THR C C 58 175.361 176.498 -1.137 1
1 660 . 18 1 1 A 58 58 THR CA C 58 65.801 65.426 0.375 1
1 661 . 18 1 1 A 58 58 THR CB C 58 68.064 67.905 0.159 1
1 663 . 18 1 1 A 58 58 THR N N 58 117.859 114.031 3.828 1
1 664 . 18 1 1 A 59 59 LEU H H 59 7.950 8.695 -0.745 1
1 665 . 18 1 1 A 59 59 LEU HA H 59 4.127 4.234 -0.107 1
1 674 . 18 1 1 A 59 59 LEU C C 59 177.886 178.556 -0.670 1
1 675 . 18 1 1 A 59 59 LEU CA C 59 57.628 58.550 -0.922 1
1 676 . 18 1 1 A 59 59 LEU CB C 59 42.296 42.207 0.089 1
1 680 . 18 1 1 A 59 59 LEU N N 59 122.280 122.775 -0.495 1
1 681 . 18 1 1 A 60 60 PHE H H 60 7.797 8.923 -1.126 1
1 682 . 18 1 1 A 60 60 PHE HA H 60 4.309 4.049 0.260 1
1 690 . 18 1 1 A 60 60 PHE C C 60 177.085 177.382 -0.297 1
1 691 . 18 1 1 A 60 60 PHE CA C 60 59.920 61.763 -1.843 1
1 692 . 18 1 1 A 60 60 PHE CB C 60 38.918 39.417 -0.499 1
1 698 . 18 1 1 A 60 60 PHE N N 60 118.008 119.756 -1.748 1
1 699 . 18 1 1 A 61 61 LYS H H 61 7.839 8.217 -0.378 1
1 700 . 18 1 1 A 61 61 LYS HA H 61 4.007 3.934 0.073 1
1 707 . 18 1 1 A 61 61 LYS C C 61 178.032 178.636 -0.604 1
1 708 . 18 1 1 A 61 61 LYS CA C 61 58.016 59.842 -1.826 1
1 709 . 18 1 1 A 61 61 LYS CB C 61 32.657 32.148 0.509 1
1 713 . 18 1 1 A 61 61 LYS N N 61 119.447 119.135 0.312 1
1 714 . 18 1 1 A 62 62 GLU H H 62 8.139 8.214 -0.075 1
1 715 . 18 1 1 A 62 62 GLU HA H 62 4.146 3.928 0.218 1
1 720 . 18 1 1 A 62 62 GLU C C 62 177.595 179.382 -1.787 1
1 721 . 18 1 1 A 62 62 GLU CA C 62 57.699 59.544 -1.845 1
1 722 . 18 1 1 A 62 62 GLU CB C 62 29.608 29.372 0.236 1
1 724 . 18 1 1 A 62 62 GLU N N 62 119.302 117.979 1.323 1
1 725 . 18 1 1 A 63 63 ARG H H 63 8.015 7.678 0.337 1
1 726 . 18 1 1 A 63 63 ARG HA H 63 4.258 4.226 0.032 1
1 732 . 18 1 1 A 63 63 ARG C C 63 176.769 176.343 0.426 1
1 733 . 18 1 1 A 63 63 ARG CA C 63 56.677 58.841 -2.164 1
1 734 . 18 1 1 A 63 63 ARG CB C 63 30.514 30.205 0.309 1
1 737 . 18 1 1 A 63 63 ARG N N 63 119.598 118.419 1.179 1
1 738 . 18 1 1 A 64 64 GLN H H 64 8.058 7.670 0.388 1
1 739 . 18 1 1 A 64 64 GLN HA H 64 4.242 4.628 -0.386 1
1 745 . 18 1 1 A 64 64 GLN C C 64 176.114 175.160 0.954 1
1 746 . 18 1 1 A 64 64 GLN CA C 64 56.148 55.042 1.106 1
1 747 . 18 1 1 A 64 64 GLN CB C 64 29.258 31.073 -1.815 1
1 749 . 18 1 1 A 64 64 GLN N N 64 120.027 117.719 2.308 1
1 751 . 18 1 1 A 65 65 SER H H 65 8.172 8.635 -0.463 1
1 752 . 18 1 1 A 65 65 SER HA H 65 4.457 5.187 -0.730 1
1 755 . 18 1 1 A 65 65 SER C C 65 174.487 173.029 1.458 1
1 756 . 18 1 1 A 65 65 SER CA C 65 58.404 57.824 0.580 1
1 757 . 18 1 1 A 65 65 SER CB C 65 63.965 65.802 -1.837 1
1 758 . 18 1 1 A 65 65 SER N N 65 116.070 113.438 2.632 1
1 759 . 18 1 1 A 66 66 GLY H H 66 8.170 8.351 -0.181 1
1 760 . 18 1 1 A 66 66 GLY HA2 H 66 4.141 4.211 -0.070 1
1 761 . 18 1 1 A 66 66 GLY HA3 H 66 4.082 4.213 -0.131 1
1 762 . 18 1 1 A 66 66 GLY C C 66 171.768 174.174 -2.406 1
1 763 . 18 1 1 A 66 66 GLY CA C 66 44.620 45.471 -0.851 1
1 764 . 18 1 1 A 66 66 GLY N N 66 110.579 108.665 1.914 1
1 765 . 18 1 1 A 67 67 PRO HA H 67 4.453 4.527 -0.074 1
1 770 . 18 1 1 A 67 67 PRO C C 67 177.400 176.280 1.120 1
1 771 . 18 1 1 A 67 67 PRO CA C 67 63.198 63.635 -0.437 1
1 772 . 18 1 1 A 67 67 PRO CB C 67 32.171 31.917 0.254 1
1 775 . 18 1 1 A 68 68 SER H H 68 8.525 7.957 0.568 1
1 776 . 18 1 1 A 68 68 SER HA H 68 4.490 4.339 0.151 1
1 779 . 18 1 1 A 68 68 SER C C 68 174.657 173.817 0.840 1
1 780 . 18 1 1 A 68 68 SER CA C 68 58.589 59.784 -1.195 1
1 781 . 18 1 1 A 68 68 SER CB C 68 63.800 62.901 0.899 1
1 782 . 18 1 1 A 68 68 SER N N 68 116.415 115.820 0.595 1
1 783 . 18 1 1 A 69 69 SER H H 69 8.316 8.485 -0.169 1
1 784 . 18 1 1 A 69 69 SER HA H 69 4.467 5.013 -0.546 1
1 787 . 18 1 1 A 69 69 SER C C 69 173.953 174.412 -0.459 1
1 788 . 18 1 1 A 69 69 SER CA C 69 58.369 56.075 2.294 1
1 789 . 18 1 1 A 69 69 SER CB C 69 64.047 65.704 -1.657 1
1 790 . 18 1 1 A 69 69 SER N N 69 117.832 121.260 -3.428 1
1 1 . 19 1 1 A 7 7 GLY H H 7 8.499 7.740 0.759 1
1 2 . 19 1 1 A 7 7 GLY HA2 H 7 3.948 4.084 -0.136 1
1 3 . 19 1 1 A 7 7 GLY HA3 H 7 3.948 4.085 -0.137 1
1 4 . 19 1 1 A 7 7 GLY C C 7 173.949 173.999 -0.050 1
1 5 . 19 1 1 A 7 7 GLY CA C 7 45.325 43.835 1.490 1
1 6 . 19 1 1 A 8 8 LYS H H 8 8.116 9.024 -0.908 1
1 7 . 19 1 1 A 8 8 LYS HA H 8 4.308 3.923 0.385 1
1 14 . 19 1 1 A 8 8 LYS C C 8 176.504 176.173 0.331 1
1 15 . 19 1 1 A 8 8 LYS CA C 8 56.113 57.177 -1.064 1
1 16 . 19 1 1 A 8 8 LYS CB C 8 33.151 31.043 2.108 1
1 20 . 19 1 1 A 8 8 LYS N N 8 120.734 120.782 -0.048 1
1 21 . 19 1 1 A 9 9 ARG H H 9 8.362 7.794 0.568 1
1 22 . 19 1 1 A 9 9 ARG HA H 9 4.590 4.564 0.026 1
1 27 . 19 1 1 A 9 9 ARG C C 9 176.479 174.680 1.799 1
1 28 . 19 1 1 A 9 9 ARG CA C 9 53.962 53.823 0.139 1
1 29 . 19 1 1 A 9 9 ARG CB C 9 30.103 31.298 -1.195 1
1 32 . 19 1 1 A 9 9 ARG N N 9 123.609 120.990 2.619 1
1 33 . 19 1 1 A 10 10 PRO HA H 10 4.419 4.760 -0.341 1
1 39 . 19 1 1 A 10 10 PRO C C 10 176.796 175.353 1.443 1
1 40 . 19 1 1 A 10 10 PRO CA C 10 62.987 62.728 0.259 1
1 41 . 19 1 1 A 10 10 PRO CB C 10 32.080 31.781 0.299 1
1 44 . 19 1 1 A 11 11 ARG H H 11 8.517 9.088 -0.571 1
1 45 . 19 1 1 A 11 11 ARG C C 11 176.551 174.917 1.634 1
1 46 . 19 1 1 A 11 11 ARG CA C 11 56.077 55.441 0.636 1
1 47 . 19 1 1 A 11 11 ARG CB C 11 30.762 32.737 -1.975 1
1 48 . 19 1 1 A 11 11 ARG N N 11 121.931 124.588 -2.657 1
1 49 . 19 1 1 A 12 12 THR HA H 12 4.260 4.466 -0.206 1
1 54 . 19 1 1 A 12 12 THR C C 12 173.904 173.924 -0.020 1
1 55 . 19 1 1 A 12 12 THR CA C 12 62.218 62.208 0.010 1
1 56 . 19 1 1 A 12 12 THR CB C 12 69.843 69.545 0.298 1
1 58 . 19 1 1 A 13 13 ARG H H 13 8.434 8.562 -0.128 1
1 59 . 19 1 1 A 13 13 ARG HA H 13 4.381 5.086 -0.705 1
1 65 . 19 1 1 A 13 13 ARG C C 13 175.336 175.167 0.169 1
1 66 . 19 1 1 A 13 13 ARG CA C 13 55.972 54.678 1.294 1
1 67 . 19 1 1 A 13 13 ARG CB C 13 31.059 33.008 -1.949 1
1 70 . 19 1 1 A 13 13 ARG N N 13 125.368 124.235 1.133 1
1 71 . 19 1 1 A 14 14 ILE H H 14 8.179 8.627 -0.448 1
1 72 . 19 1 1 A 14 14 ILE HA H 14 4.268 4.693 -0.425 1
1 82 . 19 1 1 A 14 14 ILE C C 14 176.844 175.555 1.289 1
1 83 . 19 1 1 A 14 14 ILE CA C 14 61.647 60.271 1.376 1
1 84 . 19 1 1 A 14 14 ILE CB C 14 39.248 38.614 0.634 1
1 88 . 19 1 1 A 14 14 ILE N N 14 123.951 126.622 -2.671 1
1 89 . 19 1 1 A 15 15 THR H H 15 8.922 8.317 0.605 1
1 90 . 19 1 1 A 15 15 THR HA H 15 4.386 4.771 -0.385 1
1 95 . 19 1 1 A 15 15 THR C C 15 175.263 174.783 0.480 1
1 96 . 19 1 1 A 15 15 THR CA C 15 61.402 59.649 1.753 1
1 97 . 19 1 1 A 15 15 THR CB C 15 70.796 71.299 -0.503 1
1 99 . 19 1 1 A 15 15 THR N N 15 119.222 117.766 1.456 1
1 100 . 19 1 1 A 16 16 ASP H H 16 8.951 9.069 -0.118 1
1 101 . 19 1 1 A 16 16 ASP HA H 16 4.353 4.243 0.110 1
1 104 . 19 1 1 A 16 16 ASP C C 16 178.888 178.040 0.848 1
1 105 . 19 1 1 A 16 16 ASP CA C 16 58.016 57.399 0.617 1
1 106 . 19 1 1 A 16 16 ASP CB C 16 40.154 40.156 -0.002 1
1 107 . 19 1 1 A 16 16 ASP N N 16 120.852 126.595 -5.743 1
1 108 . 19 1 1 A 17 17 ASP H H 17 8.387 8.232 0.155 1
1 109 . 19 1 1 A 17 17 ASP HA H 17 4.361 4.381 -0.020 1
1 112 . 19 1 1 A 17 17 ASP C C 17 178.815 177.992 0.823 1
1 113 . 19 1 1 A 17 17 ASP CA C 17 57.311 56.339 0.972 1
1 114 . 19 1 1 A 17 17 ASP CB C 17 40.649 40.348 0.301 1
1 115 . 19 1 1 A 17 17 ASP N N 17 118.488 119.043 -0.555 1
1 116 . 19 1 1 A 18 18 GLN H H 18 7.561 7.695 -0.134 1
1 117 . 19 1 1 A 18 18 GLN HA H 18 3.844 4.186 -0.342 1
1 124 . 19 1 1 A 18 18 GLN C C 18 177.988 177.966 0.022 1
1 125 . 19 1 1 A 18 18 GLN CA C 18 58.933 57.908 1.025 1
1 126 . 19 1 1 A 18 18 GLN CB C 18 28.702 28.670 0.032 1
1 128 . 19 1 1 A 18 18 GLN N N 18 119.852 119.528 0.324 1
1 130 . 19 1 1 A 19 19 LEU H H 19 8.538 8.306 0.232 1
1 131 . 19 1 1 A 19 19 LEU HA H 19 3.549 3.767 -0.218 1
1 141 . 19 1 1 A 19 19 LEU C C 19 178.202 178.197 0.005 1
1 142 . 19 1 1 A 19 19 LEU CA C 19 57.593 57.683 -0.090 1
1 143 . 19 1 1 A 19 19 LEU CB C 19 41.720 41.306 0.414 1
1 147 . 19 1 1 A 19 19 LEU N N 19 120.203 122.500 -2.297 1
1 148 . 19 1 1 A 20 20 ARG H H 20 7.644 8.075 -0.431 1
1 149 . 19 1 1 A 20 20 ARG HA H 20 3.893 4.117 -0.224 1
1 155 . 19 1 1 A 20 20 ARG C C 20 179.148 178.380 0.768 1
1 156 . 19 1 1 A 20 20 ARG CA C 20 59.744 58.589 1.155 1
1 157 . 19 1 1 A 20 20 ARG CB C 20 29.855 29.986 -0.131 1
1 160 . 19 1 1 A 20 20 ARG N N 20 117.442 117.494 -0.052 1
1 161 . 19 1 1 A 21 21 VAL H H 21 7.074 7.786 -0.712 1
1 162 . 19 1 1 A 21 21 VAL HA H 21 3.726 3.777 -0.051 1
1 170 . 19 1 1 A 21 21 VAL C C 21 177.643 178.019 -0.376 1
1 171 . 19 1 1 A 21 21 VAL CA C 21 66.098 65.951 0.147 1
1 172 . 19 1 1 A 21 21 VAL CB C 21 31.750 31.660 0.090 1
1 175 . 19 1 1 A 21 21 VAL N N 21 118.796 120.559 -1.763 1
1 176 . 19 1 1 A 22 22 LEU H H 22 7.620 7.819 -0.199 1
1 177 . 19 1 1 A 22 22 LEU HA H 22 3.947 4.238 -0.291 1
1 187 . 19 1 1 A 22 22 LEU C C 22 178.979 178.627 0.352 1
1 188 . 19 1 1 A 22 22 LEU CA C 22 58.369 56.106 2.263 1
1 189 . 19 1 1 A 22 22 LEU CB C 22 38.869 41.348 -2.479 1
1 193 . 19 1 1 A 22 22 LEU N N 22 119.184 120.326 -1.142 1
1 194 . 19 1 1 A 23 23 ARG H H 23 8.451 8.142 0.309 1
1 195 . 19 1 1 A 23 23 ARG HA H 23 4.054 4.195 -0.141 1
1 202 . 19 1 1 A 23 23 ARG C C 23 178.177 179.301 -1.124 1
1 203 . 19 1 1 A 23 23 ARG CA C 23 59.157 59.364 -0.207 1
1 204 . 19 1 1 A 23 23 ARG CB C 23 29.772 30.614 -0.842 1
1 207 . 19 1 1 A 23 23 ARG N N 23 116.571 120.504 -3.933 1
1 208 . 19 1 1 A 24 24 GLN H H 24 7.749 8.648 -0.899 1
1 209 . 19 1 1 A 24 24 GLN HA H 24 4.129 4.175 -0.046 1
1 216 . 19 1 1 A 24 24 GLN C C 24 179.100 177.650 1.450 1
1 217 . 19 1 1 A 24 24 GLN CA C 24 58.827 58.324 0.503 1
1 218 . 19 1 1 A 24 24 GLN CB C 24 28.290 28.540 -0.250 1
1 220 . 19 1 1 A 24 24 GLN N N 24 118.256 117.712 0.544 1
1 222 . 19 1 1 A 25 25 TYR H H 25 7.902 8.158 -0.256 1
1 223 . 19 1 1 A 25 25 TYR HA H 25 4.295 4.405 -0.110 1
1 230 . 19 1 1 A 25 25 TYR C C 25 178.080 178.314 -0.234 1
1 231 . 19 1 1 A 25 25 TYR CA C 25 61.506 60.996 0.510 1
1 232 . 19 1 1 A 25 25 TYR CB C 25 39.001 38.358 0.643 1
1 237 . 19 1 1 A 25 25 TYR N N 25 117.374 119.113 -1.739 1
1 238 . 19 1 1 A 26 26 PHE H H 26 8.935 8.284 0.651 1
1 239 . 19 1 1 A 26 26 PHE HA H 26 4.366 4.573 -0.207 1
1 247 . 19 1 1 A 26 26 PHE C C 26 175.847 176.781 -0.934 1
1 248 . 19 1 1 A 26 26 PHE CA C 26 61.452 62.302 -0.850 1
1 249 . 19 1 1 A 26 26 PHE CB C 26 39.538 39.332 0.206 1
1 255 . 19 1 1 A 27 27 ASP H H 27 8.138 8.380 -0.242 1
1 256 . 19 1 1 A 27 27 ASP HA H 27 4.407 4.226 0.181 1
1 259 . 19 1 1 A 27 27 ASP C C 27 177.546 178.992 -1.446 1
1 260 . 19 1 1 A 27 27 ASP CA C 27 56.007 57.295 -1.288 1
1 261 . 19 1 1 A 27 27 ASP CB C 27 40.813 40.581 0.232 1
1 262 . 19 1 1 A 27 27 ASP N N 27 116.760 118.584 -1.824 1
1 263 . 19 1 1 A 28 28 ILE H H 28 7.463 7.632 -0.169 1
1 264 . 19 1 1 A 28 28 ILE HA H 28 3.945 3.802 0.143 1
1 274 . 19 1 1 A 28 28 ILE C C 28 176.260 176.464 -0.204 1
1 275 . 19 1 1 A 28 28 ILE CA C 28 62.881 64.465 -1.584 1
1 276 . 19 1 1 A 28 28 ILE CB C 28 38.836 37.956 0.880 1
1 280 . 19 1 1 A 28 28 ILE N N 28 119.169 118.281 0.888 1
1 281 . 19 1 1 A 29 29 ASN H H 29 8.214 8.065 0.149 1
1 282 . 19 1 1 A 29 29 ASN HA H 29 4.620 4.948 -0.328 1
1 287 . 19 1 1 A 29 29 ASN C C 29 173.633 175.370 -1.737 1
1 288 . 19 1 1 A 29 29 ASN CA C 29 53.081 53.022 0.059 1
1 289 . 19 1 1 A 29 29 ASN CB C 29 39.330 40.799 -1.469 1
1 290 . 19 1 1 A 29 29 ASN N N 29 117.989 116.642 1.347 1
1 292 . 19 1 1 A 30 30 ASN H H 30 8.383 8.461 -0.078 1
1 293 . 19 1 1 A 30 30 ASN HA H 30 4.231 3.953 0.278 1
1 298 . 19 1 1 A 30 30 ASN C C 30 174.338 175.674 -1.336 1
1 299 . 19 1 1 A 30 30 ASN CA C 30 53.610 56.622 -3.012 1
1 300 . 19 1 1 A 30 30 ASN CB C 30 38.836 38.384 0.452 1
1 301 . 19 1 1 A 30 30 ASN N N 30 120.522 122.496 -1.974 1
1 303 . 19 1 1 A 31 31 SER H H 31 7.941 8.223 -0.282 1
1 304 . 19 1 1 A 31 31 SER HA H 31 4.795 4.851 -0.056 1
1 307 . 19 1 1 A 31 31 SER C C 31 174.387 171.719 2.668 1
1 308 . 19 1 1 A 31 31 SER CA C 31 54.843 55.453 -0.610 1
1 309 . 19 1 1 A 31 31 SER CB C 31 63.553 64.779 -1.226 1
1 310 . 19 1 1 A 31 31 SER N N 31 112.907 112.754 0.153 1
1 311 . 19 1 1 A 32 32 PRO HA H 32 4.437 4.745 -0.308 1
1 318 . 19 1 1 A 32 32 PRO C C 32 176.844 176.012 0.832 1
1 319 . 19 1 1 A 32 32 PRO CA C 32 62.180 62.133 0.047 1
1 320 . 19 1 1 A 32 32 PRO CB C 32 32.380 32.284 0.096 1
1 323 . 19 1 1 A 33 33 SER H H 33 8.658 8.322 0.336 1
1 324 . 19 1 1 A 33 33 SER HA H 33 4.462 4.850 -0.388 1
1 327 . 19 1 1 A 33 33 SER C C 33 175.068 175.804 -0.736 1
1 328 . 19 1 1 A 33 33 SER CA C 33 56.539 56.280 0.259 1
1 329 . 19 1 1 A 33 33 SER CB C 33 65.613 66.275 -0.662 1
1 330 . 19 1 1 A 33 33 SER N N 33 117.201 114.238 2.963 1
1 331 . 19 1 1 A 34 34 GLU H H 34 8.983 9.184 -0.201 1
1 332 . 19 1 1 A 34 34 GLU HA H 34 3.885 3.959 -0.074 1
1 337 . 19 1 1 A 34 34 GLU C C 34 179.464 178.395 1.069 1
1 338 . 19 1 1 A 34 34 GLU CA C 34 59.990 59.402 0.588 1
1 339 . 19 1 1 A 34 34 GLU CB C 34 29.031 29.219 -0.188 1
1 341 . 19 1 1 A 34 34 GLU N N 34 120.557 121.361 -0.804 1
1 342 . 19 1 1 A 35 35 GLU H H 35 8.672 7.909 0.763 1
1 343 . 19 1 1 A 35 35 GLU HA H 35 3.989 4.076 -0.087 1
1 348 . 19 1 1 A 35 35 GLU C C 35 179.440 178.902 0.538 1
1 349 . 19 1 1 A 35 35 GLU CA C 35 60.096 59.114 0.982 1
1 350 . 19 1 1 A 35 35 GLU CB C 35 28.949 29.851 -0.902 1
1 352 . 19 1 1 A 35 35 GLU N N 35 119.112 120.211 -1.099 1
1 353 . 19 1 1 A 36 36 GLN H H 36 7.705 7.986 -0.281 1
1 354 . 19 1 1 A 36 36 GLN HA H 36 4.012 4.224 -0.212 1
1 360 . 19 1 1 A 36 36 GLN C C 36 178.372 178.335 0.037 1
1 361 . 19 1 1 A 36 36 GLN CA C 36 58.968 58.471 0.497 1
1 362 . 19 1 1 A 36 36 GLN CB C 36 28.290 28.303 -0.013 1
1 364 . 19 1 1 A 36 36 GLN N N 36 120.638 118.374 2.264 1
1 366 . 19 1 1 A 37 37 ILE H H 37 8.308 8.485 -0.177 1
1 367 . 19 1 1 A 37 37 ILE HA H 37 3.474 3.662 -0.188 1
1 377 . 19 1 1 A 37 37 ILE C C 37 177.400 178.681 -1.281 1
1 378 . 19 1 1 A 37 37 ILE CA C 37 65.173 64.913 0.260 1
1 379 . 19 1 1 A 37 37 ILE CB C 37 36.447 37.654 -1.207 1
1 383 . 19 1 1 A 37 37 ILE N N 37 121.515 120.543 0.972 1
1 384 . 19 1 1 A 38 38 LYS H H 38 7.808 7.843 -0.035 1
1 385 . 19 1 1 A 38 38 LYS HA H 38 3.803 4.012 -0.209 1
1 393 . 19 1 1 A 38 38 LYS C C 38 178.153 178.741 -0.588 1
1 394 . 19 1 1 A 38 38 LYS CA C 38 60.096 59.317 0.779 1
1 395 . 19 1 1 A 38 38 LYS CB C 38 31.833 32.567 -0.734 1
1 399 . 19 1 1 A 38 38 LYS N N 38 120.672 122.311 -1.639 1
1 400 . 19 1 1 A 39 39 GLU H H 39 7.719 8.226 -0.507 1
1 401 . 19 1 1 A 39 39 GLU HA H 39 4.089 4.074 0.015 1
1 406 . 19 1 1 A 39 39 GLU C C 39 179.278 178.601 0.677 1
1 407 . 19 1 1 A 39 39 GLU CA C 39 59.522 59.094 0.428 1
1 408 . 19 1 1 A 39 39 GLU CB C 39 29.773 29.013 0.760 1
1 410 . 19 1 1 A 39 39 GLU N N 39 119.510 117.480 2.030 1
1 411 . 19 1 1 A 40 40 MET H H 40 8.167 8.460 -0.293 1
1 412 . 19 1 1 A 40 40 MET HA H 40 3.599 4.143 -0.544 1
1 420 . 19 1 1 A 40 40 MET C C 40 179.813 178.415 1.398 1
1 421 . 19 1 1 A 40 40 MET CA C 40 59.533 58.648 0.885 1
1 422 . 19 1 1 A 40 40 MET CB C 40 35.410 33.028 2.382 1
1 425 . 19 1 1 A 40 40 MET N N 40 117.312 118.848 -1.536 1
1 426 . 19 1 1 A 41 41 ALA H H 41 8.689 7.894 0.795 1
1 427 . 19 1 1 A 41 41 ALA HA H 41 4.102 4.390 -0.288 1
1 431 . 19 1 1 A 41 41 ALA C C 41 179.610 178.931 0.679 1
1 432 . 19 1 1 A 41 41 ALA CA C 41 55.866 54.870 0.996 1
1 433 . 19 1 1 A 41 41 ALA CB C 41 18.609 18.493 0.116 1
1 434 . 19 1 1 A 41 41 ALA N N 41 128.620 121.534 7.086 1
1 435 . 19 1 1 A 42 42 ASP H H 42 8.324 7.148 1.176 1
1 436 . 19 1 1 A 42 42 ASP HA H 42 4.306 4.609 -0.303 1
1 439 . 19 1 1 A 42 42 ASP C C 42 179.003 178.513 0.490 1
1 440 . 19 1 1 A 42 42 ASP CA C 42 57.241 56.454 0.787 1
1 441 . 19 1 1 A 42 42 ASP CB C 42 40.319 41.559 -1.240 1
1 442 . 19 1 1 A 42 42 ASP N N 42 120.159 118.104 2.055 1
1 443 . 19 1 1 A 43 43 LYS H H 43 8.036 7.622 0.414 1
1 444 . 19 1 1 A 43 43 LYS HA H 43 4.155 4.003 0.152 1
1 452 . 19 1 1 A 43 43 LYS C C 43 178.105 178.644 -0.539 1
1 453 . 19 1 1 A 43 43 LYS CA C 43 58.580 59.496 -0.916 1
1 454 . 19 1 1 A 43 43 LYS CB C 43 33.893 32.299 1.594 1
1 458 . 19 1 1 A 43 43 LYS N N 43 116.586 119.218 -2.632 1
1 459 . 19 1 1 A 44 44 SER H H 44 8.314 8.239 0.075 1
1 460 . 19 1 1 A 44 44 SER HA H 44 4.486 4.505 -0.019 1
1 463 . 19 1 1 A 44 44 SER C C 44 175.458 175.468 -0.010 1
1 464 . 19 1 1 A 44 44 SER CA C 44 59.955 58.965 0.990 1
1 465 . 19 1 1 A 44 44 SER CB C 44 66.025 64.667 1.358 1
1 466 . 19 1 1 A 44 44 SER N N 44 111.140 110.936 0.204 1
1 467 . 19 1 1 A 45 45 GLY H H 45 8.249 8.174 0.075 1
1 468 . 19 1 1 A 45 45 GLY HA2 H 45 3.872 3.983 -0.111 1
1 469 . 19 1 1 A 45 45 GLY HA3 H 45 4.233 3.985 0.248 1
1 470 . 19 1 1 A 45 45 GLY C C 45 174.317 174.108 0.209 1
1 471 . 19 1 1 A 45 45 GLY CA C 45 45.889 44.841 1.048 1
1 472 . 19 1 1 A 45 45 GLY N N 45 112.770 110.639 2.131 1
1 473 . 19 1 1 A 46 46 LEU H H 46 7.800 7.560 0.240 1
1 474 . 19 1 1 A 46 46 LEU HA H 46 4.685 4.524 0.161 1
1 484 . 19 1 1 A 46 46 LEU C C 46 174.366 174.680 -0.314 1
1 485 . 19 1 1 A 46 46 LEU CA C 46 52.235 52.458 -0.223 1
1 486 . 19 1 1 A 46 46 LEU CB C 46 43.285 41.630 1.655 1
1 490 . 19 1 1 A 46 46 LEU N N 46 121.722 122.341 -0.619 1
1 491 . 19 1 1 A 47 47 PRO HA H 47 4.542 4.552 -0.010 1
1 497 . 19 1 1 A 47 47 PRO C C 47 178.542 177.391 1.151 1
1 498 . 19 1 1 A 47 47 PRO CA C 47 62.000 62.573 -0.573 1
1 499 . 19 1 1 A 47 47 PRO CB C 47 32.731 32.508 0.223 1
1 502 . 19 1 1 A 48 48 GLN H H 48 9.124 8.554 0.570 1
1 503 . 19 1 1 A 48 48 GLN HA H 48 3.629 3.987 -0.358 1
1 510 . 19 1 1 A 48 48 GLN C C 48 178.080 178.259 -0.179 1
1 511 . 19 1 1 A 48 48 GLN CA C 48 60.872 59.249 1.623 1
1 512 . 19 1 1 A 48 48 GLN CB C 48 28.455 28.480 -0.025 1
1 514 . 19 1 1 A 48 48 GLN N N 48 123.862 121.584 2.278 1
1 516 . 19 1 1 A 49 49 LYS H H 49 8.912 8.176 0.736 1
1 517 . 19 1 1 A 49 49 LYS HA H 49 3.969 4.121 -0.152 1
1 524 . 19 1 1 A 49 49 LYS C C 49 178.954 178.885 0.069 1
1 525 . 19 1 1 A 49 49 LYS CA C 49 59.955 59.243 0.712 1
1 526 . 19 1 1 A 49 49 LYS CB C 49 32.327 32.259 0.068 1
1 530 . 19 1 1 A 49 49 LYS N N 49 116.406 118.638 -2.232 1
1 531 . 19 1 1 A 50 50 VAL H H 50 6.874 7.562 -0.688 1
1 532 . 19 1 1 A 50 50 VAL HA H 50 3.835 3.656 0.179 1
1 540 . 19 1 1 A 50 50 VAL C C 50 178.299 177.793 0.506 1
1 541 . 19 1 1 A 50 50 VAL CA C 50 65.560 65.965 -0.405 1
1 542 . 19 1 1 A 50 50 VAL CB C 50 32.080 31.828 0.252 1
1 545 . 19 1 1 A 50 50 VAL N N 50 119.065 120.305 -1.240 1
1 546 . 19 1 1 A 51 51 ILE H H 51 7.503 8.445 -0.942 1
1 547 . 19 1 1 A 51 51 ILE HA H 51 3.672 3.721 -0.049 1
1 557 . 19 1 1 A 51 51 ILE C C 51 178.007 178.123 -0.116 1
1 558 . 19 1 1 A 51 51 ILE CA C 51 66.019 65.704 0.315 1
1 559 . 19 1 1 A 51 51 ILE CB C 51 38.081 38.162 -0.081 1
1 563 . 19 1 1 A 51 51 ILE N N 51 121.254 119.838 1.416 1
1 564 . 19 1 1 A 52 52 LYS H H 52 8.596 8.331 0.265 1
1 565 . 19 1 1 A 52 52 LYS HA H 52 3.984 4.098 -0.114 1
1 572 . 19 1 1 A 52 52 LYS C C 52 179.302 179.182 0.120 1
1 573 . 19 1 1 A 52 52 LYS CA C 52 60.978 59.495 1.483 1
1 574 . 19 1 1 A 52 52 LYS CB C 52 32.574 32.419 0.155 1
1 578 . 19 1 1 A 52 52 LYS N N 52 118.531 119.489 -0.958 1
1 579 . 19 1 1 A 53 53 HIS H H 53 7.952 7.911 0.041 1
1 580 . 19 1 1 A 53 53 HIS HA H 53 4.324 4.442 -0.118 1
1 585 . 19 1 1 A 53 53 HIS C C 53 177.085 177.061 0.024 1
1 586 . 19 1 1 A 53 53 HIS CA C 53 60.026 59.025 1.001 1
1 587 . 19 1 1 A 53 53 HIS CB C 53 30.867 30.767 0.100 1
1 590 . 19 1 1 A 53 53 HIS N N 53 118.728 119.460 -0.732 1
1 591 . 19 1 1 A 54 54 TRP H H 54 8.614 8.765 -0.151 1
1 592 . 19 1 1 A 54 54 TRP HA H 54 4.048 4.447 -0.399 1
1 601 . 19 1 1 A 54 54 TRP C C 54 180.144 178.434 1.710 1
1 602 . 19 1 1 A 54 54 TRP CA C 54 62.916 61.105 1.811 1
1 603 . 19 1 1 A 54 54 TRP CB C 54 28.766 29.605 -0.839 1
1 609 . 19 1 1 A 54 54 TRP N N 54 121.845 121.664 0.181 1
1 611 . 19 1 1 A 55 55 PHE H H 55 9.035 8.557 0.478 1
1 612 . 19 1 1 A 55 55 PHE HA H 55 3.786 4.006 -0.220 1
1 620 . 19 1 1 A 55 55 PHE C C 55 178.129 178.031 0.098 1
1 621 . 19 1 1 A 55 55 PHE CA C 55 63.617 62.518 1.099 1
1 622 . 19 1 1 A 55 55 PHE CB C 55 39.260 38.605 0.655 1
1 628 . 19 1 1 A 55 55 PHE N N 55 120.180 117.867 2.313 1
1 629 . 19 1 1 A 56 56 ARG H H 56 7.962 8.216 -0.254 1
1 630 . 19 1 1 A 56 56 ARG HA H 56 4.095 3.972 0.123 1
1 636 . 19 1 1 A 56 56 ARG C C 56 178.444 178.130 0.314 1
1 637 . 19 1 1 A 56 56 ARG CA C 56 59.356 59.581 -0.225 1
1 638 . 19 1 1 A 56 56 ARG CB C 56 30.087 29.540 0.547 1
1 641 . 19 1 1 A 56 56 ARG N N 56 118.370 120.764 -2.394 1
1 642 . 19 1 1 A 57 57 ASN H H 57 8.194 8.202 -0.008 1
1 643 . 19 1 1 A 57 57 ASN HA H 57 4.401 4.261 0.140 1
1 648 . 19 1 1 A 57 57 ASN C C 57 176.866 177.749 -0.883 1
1 649 . 19 1 1 A 57 57 ASN CA C 57 55.497 56.246 -0.749 1
1 650 . 19 1 1 A 57 57 ASN CB C 57 38.640 38.719 -0.079 1
1 651 . 19 1 1 A 57 57 ASN N N 57 117.190 117.637 -0.447 1
1 653 . 19 1 1 A 58 58 THR H H 58 7.999 7.689 0.310 1
1 654 . 19 1 1 A 58 58 THR HA H 58 3.426 3.633 -0.207 1
1 659 . 19 1 1 A 58 58 THR C C 58 175.361 176.050 -0.689 1
1 660 . 19 1 1 A 58 58 THR CA C 58 65.801 66.918 -1.117 1
1 661 . 19 1 1 A 58 58 THR CB C 58 68.064 67.919 0.145 1
1 663 . 19 1 1 A 58 58 THR N N 58 117.859 115.182 2.677 1
1 664 . 19 1 1 A 59 59 LEU H H 59 7.950 8.202 -0.252 1
1 665 . 19 1 1 A 59 59 LEU HA H 59 4.127 4.194 -0.067 1
1 674 . 19 1 1 A 59 59 LEU C C 59 177.886 178.747 -0.861 1
1 675 . 19 1 1 A 59 59 LEU CA C 59 57.628 58.603 -0.975 1
1 676 . 19 1 1 A 59 59 LEU CB C 59 42.296 41.946 0.350 1
1 680 . 19 1 1 A 59 59 LEU N N 59 122.280 121.224 1.056 1
1 681 . 19 1 1 A 60 60 PHE H H 60 7.797 8.849 -1.052 1
1 682 . 19 1 1 A 60 60 PHE HA H 60 4.309 3.966 0.343 1
1 690 . 19 1 1 A 60 60 PHE C C 60 177.085 177.270 -0.185 1
1 691 . 19 1 1 A 60 60 PHE CA C 60 59.920 61.518 -1.598 1
1 692 . 19 1 1 A 60 60 PHE CB C 60 38.918 39.525 -0.607 1
1 698 . 19 1 1 A 60 60 PHE N N 60 118.008 119.605 -1.597 1
1 699 . 19 1 1 A 61 61 LYS H H 61 7.839 8.025 -0.186 1
1 700 . 19 1 1 A 61 61 LYS HA H 61 4.007 4.003 0.004 1
1 707 . 19 1 1 A 61 61 LYS C C 61 178.032 178.993 -0.961 1
1 708 . 19 1 1 A 61 61 LYS CA C 61 58.016 60.033 -2.017 1
1 709 . 19 1 1 A 61 61 LYS CB C 61 32.657 32.044 0.613 1
1 713 . 19 1 1 A 61 61 LYS N N 61 119.447 118.841 0.606 1
1 714 . 19 1 1 A 62 62 GLU H H 62 8.139 8.456 -0.317 1
1 715 . 19 1 1 A 62 62 GLU HA H 62 4.146 4.110 0.036 1
1 720 . 19 1 1 A 62 62 GLU C C 62 177.595 179.053 -1.458 1
1 721 . 19 1 1 A 62 62 GLU CA C 62 57.699 58.997 -1.298 1
1 722 . 19 1 1 A 62 62 GLU CB C 62 29.608 29.383 0.225 1
1 724 . 19 1 1 A 62 62 GLU N N 62 119.302 119.041 0.261 1
1 725 . 19 1 1 A 63 63 ARG H H 63 8.015 8.031 -0.016 1
1 726 . 19 1 1 A 63 63 ARG HA H 63 4.258 4.236 0.022 1
1 732 . 19 1 1 A 63 63 ARG C C 63 176.769 176.567 0.202 1
1 733 . 19 1 1 A 63 63 ARG CA C 63 56.677 58.924 -2.247 1
1 734 . 19 1 1 A 63 63 ARG CB C 63 30.514 30.010 0.504 1
1 737 . 19 1 1 A 63 63 ARG N N 63 119.598 119.852 -0.254 1
1 738 . 19 1 1 A 64 64 GLN H H 64 8.058 7.619 0.439 1
1 739 . 19 1 1 A 64 64 GLN HA H 64 4.242 4.429 -0.187 1
1 745 . 19 1 1 A 64 64 GLN C C 64 176.114 175.668 0.446 1
1 746 . 19 1 1 A 64 64 GLN CA C 64 56.148 55.866 0.282 1
1 747 . 19 1 1 A 64 64 GLN CB C 64 29.258 29.280 -0.022 1
1 749 . 19 1 1 A 64 64 GLN N N 64 120.027 117.638 2.389 1
1 751 . 19 1 1 A 65 65 SER H H 65 8.172 8.765 -0.593 1
1 752 . 19 1 1 A 65 65 SER HA H 65 4.457 5.108 -0.651 1
1 755 . 19 1 1 A 65 65 SER C C 65 174.487 173.402 1.085 1
1 756 . 19 1 1 A 65 65 SER CA C 65 58.404 57.716 0.688 1
1 757 . 19 1 1 A 65 65 SER CB C 65 63.965 66.131 -2.166 1
1 758 . 19 1 1 A 65 65 SER N N 65 116.070 118.235 -2.165 1
1 759 . 19 1 1 A 66 66 GLY H H 66 8.170 8.904 -0.734 1
1 760 . 19 1 1 A 66 66 GLY HA2 H 66 4.141 4.314 -0.173 1
1 761 . 19 1 1 A 66 66 GLY HA3 H 66 4.082 4.316 -0.234 1
1 762 . 19 1 1 A 66 66 GLY C C 66 171.768 174.692 -2.924 1
1 763 . 19 1 1 A 66 66 GLY CA C 66 44.620 43.812 0.808 1
1 764 . 19 1 1 A 66 66 GLY N N 66 110.579 111.911 -1.332 1
1 765 . 19 1 1 A 67 67 PRO HA H 67 4.453 4.362 0.091 1
1 770 . 19 1 1 A 67 67 PRO C C 67 177.400 177.656 -0.256 1
1 771 . 19 1 1 A 67 67 PRO CA C 67 63.198 64.764 -1.566 1
1 772 . 19 1 1 A 67 67 PRO CB C 67 32.171 31.927 0.244 1
1 775 . 19 1 1 A 68 68 SER H H 68 8.525 8.018 0.507 1
1 776 . 19 1 1 A 68 68 SER HA H 68 4.490 4.210 0.280 1
1 779 . 19 1 1 A 68 68 SER C C 68 174.657 174.830 -0.173 1
1 780 . 19 1 1 A 68 68 SER CA C 68 58.589 61.126 -2.537 1
1 781 . 19 1 1 A 68 68 SER CB C 68 63.800 62.282 1.518 1
1 782 . 19 1 1 A 68 68 SER N N 68 116.415 110.372 6.043 1
1 783 . 19 1 1 A 69 69 SER H H 69 8.316 7.970 0.346 1
1 784 . 19 1 1 A 69 69 SER HA H 69 4.467 4.896 -0.429 1
1 787 . 19 1 1 A 69 69 SER C C 69 173.953 174.078 -0.125 1
1 788 . 19 1 1 A 69 69 SER CA C 69 58.369 58.045 0.324 1
1 789 . 19 1 1 A 69 69 SER CB C 69 64.047 64.432 -0.385 1
1 790 . 19 1 1 A 69 69 SER N N 69 117.832 115.972 1.860 1
1 1 . 20 1 1 A 7 7 GLY H H 7 8.499 8.537 -0.038 1
1 2 . 20 1 1 A 7 7 GLY HA2 H 7 3.948 4.182 -0.234 1
1 3 . 20 1 1 A 7 7 GLY HA3 H 7 3.948 4.182 -0.234 1
1 4 . 20 1 1 A 7 7 GLY C C 7 173.949 173.093 0.856 1
1 5 . 20 1 1 A 7 7 GLY CA C 7 45.325 44.610 0.715 1
1 6 . 20 1 1 A 8 8 LYS H H 8 8.116 8.650 -0.534 1
1 7 . 20 1 1 A 8 8 LYS HA H 8 4.308 5.010 -0.702 1
1 14 . 20 1 1 A 8 8 LYS C C 8 176.504 175.022 1.482 1
1 15 . 20 1 1 A 8 8 LYS CA C 8 56.113 54.170 1.943 1
1 16 . 20 1 1 A 8 8 LYS CB C 8 33.151 35.866 -2.715 1
1 20 . 20 1 1 A 8 8 LYS N N 8 120.734 123.382 -2.648 1
1 21 . 20 1 1 A 9 9 ARG H H 9 8.362 8.828 -0.466 1
1 22 . 20 1 1 A 9 9 ARG HA H 9 4.590 4.963 -0.373 1
1 27 . 20 1 1 A 9 9 ARG C C 9 176.479 174.301 2.178 1
1 28 . 20 1 1 A 9 9 ARG CA C 9 53.962 53.051 0.911 1
1 29 . 20 1 1 A 9 9 ARG CB C 9 30.103 34.092 -3.989 1
1 32 . 20 1 1 A 9 9 ARG N N 9 123.609 122.375 1.234 1
1 33 . 20 1 1 A 10 10 PRO HA H 10 4.419 4.710 -0.291 1
1 39 . 20 1 1 A 10 10 PRO C C 10 176.796 175.927 0.869 1
1 40 . 20 1 1 A 10 10 PRO CA C 10 62.987 62.356 0.631 1
1 41 . 20 1 1 A 10 10 PRO CB C 10 32.080 29.735 2.345 1
1 44 . 20 1 1 A 11 11 ARG H H 11 8.517 8.285 0.232 1
1 45 . 20 1 1 A 11 11 ARG C C 11 176.551 175.903 0.648 1
1 46 . 20 1 1 A 11 11 ARG CA C 11 56.077 56.011 0.066 1
1 47 . 20 1 1 A 11 11 ARG CB C 11 30.762 31.235 -0.473 1
1 48 . 20 1 1 A 11 11 ARG N N 11 121.931 123.026 -1.095 1
1 49 . 20 1 1 A 12 12 THR HA H 12 4.260 5.197 -0.937 1
1 54 . 20 1 1 A 12 12 THR C C 12 173.904 173.010 0.894 1
1 55 . 20 1 1 A 12 12 THR CA C 12 62.218 59.648 2.570 1
1 56 . 20 1 1 A 12 12 THR CB C 12 69.843 72.508 -2.665 1
1 58 . 20 1 1 A 13 13 ARG H H 13 8.434 8.616 -0.182 1
1 59 . 20 1 1 A 13 13 ARG HA H 13 4.381 4.627 -0.246 1
1 65 . 20 1 1 A 13 13 ARG C C 13 175.336 174.538 0.798 1
1 66 . 20 1 1 A 13 13 ARG CA C 13 55.972 55.467 0.505 1
1 67 . 20 1 1 A 13 13 ARG CB C 13 31.059 33.577 -2.518 1
1 70 . 20 1 1 A 13 13 ARG N N 13 125.368 120.950 4.418 1
1 71 . 20 1 1 A 14 14 ILE H H 14 8.179 8.667 -0.488 1
1 72 . 20 1 1 A 14 14 ILE HA H 14 4.268 4.162 0.106 1
1 82 . 20 1 1 A 14 14 ILE C C 14 176.844 176.709 0.135 1
1 83 . 20 1 1 A 14 14 ILE CA C 14 61.647 61.769 -0.122 1
1 84 . 20 1 1 A 14 14 ILE CB C 14 39.248 37.787 1.461 1
1 88 . 20 1 1 A 14 14 ILE N N 14 123.951 127.187 -3.236 1
1 89 . 20 1 1 A 15 15 THR H H 15 8.922 8.273 0.649 1
1 90 . 20 1 1 A 15 15 THR HA H 15 4.386 4.730 -0.344 1
1 95 . 20 1 1 A 15 15 THR C C 15 175.263 175.226 0.037 1
1 96 . 20 1 1 A 15 15 THR CA C 15 61.402 60.245 1.157 1
1 97 . 20 1 1 A 15 15 THR CB C 15 70.796 71.335 -0.539 1
1 99 . 20 1 1 A 15 15 THR N N 15 119.222 117.592 1.630 1
1 100 . 20 1 1 A 16 16 ASP H H 16 8.951 8.851 0.100 1
1 101 . 20 1 1 A 16 16 ASP HA H 16 4.353 4.336 0.017 1
1 104 . 20 1 1 A 16 16 ASP C C 16 178.888 178.025 0.863 1
1 105 . 20 1 1 A 16 16 ASP CA C 16 58.016 57.043 0.973 1
1 106 . 20 1 1 A 16 16 ASP CB C 16 40.154 40.540 -0.386 1
1 107 . 20 1 1 A 16 16 ASP N N 16 120.852 121.081 -0.229 1
1 108 . 20 1 1 A 17 17 ASP H H 17 8.387 8.251 0.136 1
1 109 . 20 1 1 A 17 17 ASP HA H 17 4.361 4.417 -0.056 1
1 112 . 20 1 1 A 17 17 ASP C C 17 178.815 177.986 0.829 1
1 113 . 20 1 1 A 17 17 ASP CA C 17 57.311 56.636 0.675 1
1 114 . 20 1 1 A 17 17 ASP CB C 17 40.649 40.488 0.161 1
1 115 . 20 1 1 A 17 17 ASP N N 17 118.488 118.977 -0.489 1
1 116 . 20 1 1 A 18 18 GLN H H 18 7.561 7.513 0.048 1
1 117 . 20 1 1 A 18 18 GLN HA H 18 3.844 4.214 -0.370 1
1 124 . 20 1 1 A 18 18 GLN C C 18 177.988 178.020 -0.032 1
1 125 . 20 1 1 A 18 18 GLN CA C 18 58.933 57.773 1.160 1
1 126 . 20 1 1 A 18 18 GLN CB C 18 28.702 29.105 -0.403 1
1 128 . 20 1 1 A 18 18 GLN N N 18 119.852 119.686 0.166 1
1 130 . 20 1 1 A 19 19 LEU H H 19 8.538 8.056 0.482 1
1 131 . 20 1 1 A 19 19 LEU HA H 19 3.549 3.636 -0.087 1
1 141 . 20 1 1 A 19 19 LEU C C 19 178.202 177.890 0.312 1
1 142 . 20 1 1 A 19 19 LEU CA C 19 57.593 58.064 -0.471 1
1 143 . 20 1 1 A 19 19 LEU CB C 19 41.720 41.396 0.324 1
1 147 . 20 1 1 A 19 19 LEU N N 19 120.203 121.719 -1.516 1
1 148 . 20 1 1 A 20 20 ARG H H 20 7.644 7.871 -0.227 1
1 149 . 20 1 1 A 20 20 ARG HA H 20 3.893 4.103 -0.210 1
1 155 . 20 1 1 A 20 20 ARG C C 20 179.148 178.311 0.837 1
1 156 . 20 1 1 A 20 20 ARG CA C 20 59.744 58.580 1.164 1
1 157 . 20 1 1 A 20 20 ARG CB C 20 29.855 30.137 -0.282 1
1 160 . 20 1 1 A 20 20 ARG N N 20 117.442 117.367 0.075 1
1 161 . 20 1 1 A 21 21 VAL H H 21 7.074 7.921 -0.847 1
1 162 . 20 1 1 A 21 21 VAL HA H 21 3.726 3.713 0.013 1
1 170 . 20 1 1 A 21 21 VAL C C 21 177.643 178.079 -0.436 1
1 171 . 20 1 1 A 21 21 VAL CA C 21 66.098 66.363 -0.265 1
1 172 . 20 1 1 A 21 21 VAL CB C 21 31.750 31.441 0.309 1
1 175 . 20 1 1 A 21 21 VAL N N 21 118.796 120.812 -2.016 1
1 176 . 20 1 1 A 22 22 LEU H H 22 7.620 8.118 -0.498 1
1 177 . 20 1 1 A 22 22 LEU HA H 22 3.947 4.110 -0.163 1
1 187 . 20 1 1 A 22 22 LEU C C 22 178.979 179.001 -0.022 1
1 188 . 20 1 1 A 22 22 LEU CA C 22 58.369 57.156 1.213 1
1 189 . 20 1 1 A 22 22 LEU CB C 22 38.869 40.491 -1.622 1
1 193 . 20 1 1 A 22 22 LEU N N 22 119.184 119.502 -0.318 1
1 194 . 20 1 1 A 23 23 ARG H H 23 8.451 8.188 0.263 1
1 195 . 20 1 1 A 23 23 ARG HA H 23 4.054 4.286 -0.232 1
1 202 . 20 1 1 A 23 23 ARG C C 23 178.177 179.281 -1.104 1
1 203 . 20 1 1 A 23 23 ARG CA C 23 59.157 59.675 -0.518 1
1 204 . 20 1 1 A 23 23 ARG CB C 23 29.772 30.294 -0.522 1
1 207 . 20 1 1 A 23 23 ARG N N 23 116.571 120.251 -3.680 1
1 208 . 20 1 1 A 24 24 GLN H H 24 7.749 8.632 -0.883 1
1 209 . 20 1 1 A 24 24 GLN HA H 24 4.129 4.070 0.059 1
1 216 . 20 1 1 A 24 24 GLN C C 24 179.100 178.704 0.396 1
1 217 . 20 1 1 A 24 24 GLN CA C 24 58.827 59.051 -0.224 1
1 218 . 20 1 1 A 24 24 GLN CB C 24 28.290 28.282 0.008 1
1 220 . 20 1 1 A 24 24 GLN N N 24 118.256 119.076 -0.820 1
1 222 . 20 1 1 A 25 25 TYR H H 25 7.902 7.732 0.170 1
1 223 . 20 1 1 A 25 25 TYR HA H 25 4.295 4.285 0.010 1
1 230 . 20 1 1 A 25 25 TYR C C 25 178.080 178.458 -0.378 1
1 231 . 20 1 1 A 25 25 TYR CA C 25 61.506 60.769 0.737 1
1 232 . 20 1 1 A 25 25 TYR CB C 25 39.001 37.984 1.017 1
1 237 . 20 1 1 A 25 25 TYR N N 25 117.374 120.470 -3.096 1
1 238 . 20 1 1 A 26 26 PHE H H 26 8.935 8.245 0.690 1
1 239 . 20 1 1 A 26 26 PHE HA H 26 4.366 4.688 -0.322 1
1 247 . 20 1 1 A 26 26 PHE C C 26 175.847 176.744 -0.897 1
1 248 . 20 1 1 A 26 26 PHE CA C 26 61.452 62.344 -0.892 1
1 249 . 20 1 1 A 26 26 PHE CB C 26 39.538 39.636 -0.098 1
1 255 . 20 1 1 A 27 27 ASP H H 27 8.138 8.188 -0.050 1
1 256 . 20 1 1 A 27 27 ASP HA H 27 4.407 4.250 0.157 1
1 259 . 20 1 1 A 27 27 ASP C C 27 177.546 178.675 -1.129 1
1 260 . 20 1 1 A 27 27 ASP CA C 27 56.007 57.475 -1.468 1
1 261 . 20 1 1 A 27 27 ASP CB C 27 40.813 41.614 -0.801 1
1 262 . 20 1 1 A 27 27 ASP N N 27 116.760 119.174 -2.414 1
1 263 . 20 1 1 A 28 28 ILE H H 28 7.463 7.010 0.453 1
1 264 . 20 1 1 A 28 28 ILE HA H 28 3.945 3.914 0.031 1
1 274 . 20 1 1 A 28 28 ILE C C 28 176.260 176.300 -0.040 1
1 275 . 20 1 1 A 28 28 ILE CA C 28 62.881 64.000 -1.119 1
1 276 . 20 1 1 A 28 28 ILE CB C 28 38.836 38.181 0.655 1
1 280 . 20 1 1 A 28 28 ILE N N 28 119.169 118.391 0.778 1
1 281 . 20 1 1 A 29 29 ASN H H 29 8.214 7.879 0.335 1
1 282 . 20 1 1 A 29 29 ASN HA H 29 4.620 4.951 -0.331 1
1 287 . 20 1 1 A 29 29 ASN C C 29 173.633 175.328 -1.695 1
1 288 . 20 1 1 A 29 29 ASN CA C 29 53.081 51.800 1.281 1
1 289 . 20 1 1 A 29 29 ASN CB C 29 39.330 41.269 -1.939 1
1 290 . 20 1 1 A 29 29 ASN N N 29 117.989 115.817 2.172 1
1 292 . 20 1 1 A 30 30 ASN H H 30 8.383 8.449 -0.066 1
1 293 . 20 1 1 A 30 30 ASN HA H 30 4.231 4.002 0.229 1
1 298 . 20 1 1 A 30 30 ASN C C 30 174.338 175.186 -0.848 1
1 299 . 20 1 1 A 30 30 ASN CA C 30 53.610 56.717 -3.107 1
1 300 . 20 1 1 A 30 30 ASN CB C 30 38.836 38.493 0.343 1
1 301 . 20 1 1 A 30 30 ASN N N 30 120.522 122.033 -1.511 1
1 303 . 20 1 1 A 31 31 SER H H 31 7.941 7.926 0.015 1
1 304 . 20 1 1 A 31 31 SER HA H 31 4.795 4.886 -0.091 1
1 307 . 20 1 1 A 31 31 SER C C 31 174.387 172.438 1.949 1
1 308 . 20 1 1 A 31 31 SER CA C 31 54.843 54.803 0.040 1
1 309 . 20 1 1 A 31 31 SER CB C 31 63.553 65.260 -1.707 1
1 310 . 20 1 1 A 31 31 SER N N 31 112.907 112.729 0.178 1
1 311 . 20 1 1 A 32 32 PRO HA H 32 4.437 4.847 -0.410 1
1 318 . 20 1 1 A 32 32 PRO C C 32 176.844 176.139 0.705 1
1 319 . 20 1 1 A 32 32 PRO CA C 32 62.180 62.142 0.038 1
1 320 . 20 1 1 A 32 32 PRO CB C 32 32.380 32.103 0.277 1
1 323 . 20 1 1 A 33 33 SER H H 33 8.658 8.299 0.359 1
1 324 . 20 1 1 A 33 33 SER HA H 33 4.462 4.792 -0.330 1
1 327 . 20 1 1 A 33 33 SER C C 33 175.068 175.799 -0.731 1
1 328 . 20 1 1 A 33 33 SER CA C 33 56.539 56.290 0.249 1
1 329 . 20 1 1 A 33 33 SER CB C 33 65.613 66.207 -0.594 1
1 330 . 20 1 1 A 33 33 SER N N 33 117.201 114.263 2.938 1
1 331 . 20 1 1 A 34 34 GLU H H 34 8.983 9.191 -0.208 1
1 332 . 20 1 1 A 34 34 GLU HA H 34 3.885 3.971 -0.086 1
1 337 . 20 1 1 A 34 34 GLU C C 34 179.464 178.463 1.001 1
1 338 . 20 1 1 A 34 34 GLU CA C 34 59.990 59.294 0.696 1
1 339 . 20 1 1 A 34 34 GLU CB C 34 29.031 29.167 -0.136 1
1 341 . 20 1 1 A 34 34 GLU N N 34 120.557 121.351 -0.794 1
1 342 . 20 1 1 A 35 35 GLU H H 35 8.672 8.009 0.663 1
1 343 . 20 1 1 A 35 35 GLU HA H 35 3.989 4.083 -0.094 1
1 348 . 20 1 1 A 35 35 GLU C C 35 179.440 178.728 0.712 1
1 349 . 20 1 1 A 35 35 GLU CA C 35 60.096 59.133 0.963 1
1 350 . 20 1 1 A 35 35 GLU CB C 35 28.949 29.819 -0.870 1
1 352 . 20 1 1 A 35 35 GLU N N 35 119.112 120.038 -0.926 1
1 353 . 20 1 1 A 36 36 GLN H H 36 7.705 8.131 -0.426 1
1 354 . 20 1 1 A 36 36 GLN HA H 36 4.012 4.430 -0.418 1
1 360 . 20 1 1 A 36 36 GLN C C 36 178.372 178.212 0.160 1
1 361 . 20 1 1 A 36 36 GLN CA C 36 58.968 58.229 0.739 1
1 362 . 20 1 1 A 36 36 GLN CB C 36 28.290 28.345 -0.055 1
1 364 . 20 1 1 A 36 36 GLN N N 36 120.638 118.507 2.131 1
1 366 . 20 1 1 A 37 37 ILE H H 37 8.308 8.504 -0.196 1
1 367 . 20 1 1 A 37 37 ILE HA H 37 3.474 3.701 -0.227 1
1 377 . 20 1 1 A 37 37 ILE C C 37 177.400 178.573 -1.173 1
1 378 . 20 1 1 A 37 37 ILE CA C 37 65.173 64.752 0.421 1
1 379 . 20 1 1 A 37 37 ILE CB C 37 36.447 37.720 -1.273 1
1 383 . 20 1 1 A 37 37 ILE N N 37 121.515 120.531 0.984 1
1 384 . 20 1 1 A 38 38 LYS H H 38 7.808 7.790 0.018 1
1 385 . 20 1 1 A 38 38 LYS HA H 38 3.803 4.039 -0.236 1
1 393 . 20 1 1 A 38 38 LYS C C 38 178.153 178.857 -0.704 1
1 394 . 20 1 1 A 38 38 LYS CA C 38 60.096 59.060 1.036 1
1 395 . 20 1 1 A 38 38 LYS CB C 38 31.833 32.615 -0.782 1
1 399 . 20 1 1 A 38 38 LYS N N 38 120.672 122.433 -1.761 1
1 400 . 20 1 1 A 39 39 GLU H H 39 7.719 8.057 -0.338 1
1 401 . 20 1 1 A 39 39 GLU HA H 39 4.089 4.064 0.025 1
1 406 . 20 1 1 A 39 39 GLU C C 39 179.278 178.533 0.745 1
1 407 . 20 1 1 A 39 39 GLU CA C 39 59.522 59.182 0.340 1
1 408 . 20 1 1 A 39 39 GLU CB C 39 29.773 29.024 0.749 1
1 410 . 20 1 1 A 39 39 GLU N N 39 119.510 117.573 1.937 1
1 411 . 20 1 1 A 40 40 MET H H 40 8.167 8.379 -0.212 1
1 412 . 20 1 1 A 40 40 MET HA H 40 3.599 4.161 -0.562 1
1 420 . 20 1 1 A 40 40 MET C C 40 179.813 178.294 1.519 1
1 421 . 20 1 1 A 40 40 MET CA C 40 59.533 58.659 0.874 1
1 422 . 20 1 1 A 40 40 MET CB C 40 35.410 33.050 2.360 1
1 425 . 20 1 1 A 40 40 MET N N 40 117.312 118.967 -1.655 1
1 426 . 20 1 1 A 41 41 ALA H H 41 8.689 7.890 0.799 1
1 427 . 20 1 1 A 41 41 ALA HA H 41 4.102 4.384 -0.282 1
1 431 . 20 1 1 A 41 41 ALA C C 41 179.610 179.253 0.357 1
1 432 . 20 1 1 A 41 41 ALA CA C 41 55.866 54.968 0.898 1
1 433 . 20 1 1 A 41 41 ALA CB C 41 18.609 18.495 0.114 1
1 434 . 20 1 1 A 41 41 ALA N N 41 128.620 121.422 7.198 1
1 435 . 20 1 1 A 42 42 ASP H H 42 8.324 7.354 0.970 1
1 436 . 20 1 1 A 42 42 ASP HA H 42 4.306 4.499 -0.193 1
1 439 . 20 1 1 A 42 42 ASP C C 42 179.003 178.719 0.284 1
1 440 . 20 1 1 A 42 42 ASP CA C 42 57.241 56.232 1.009 1
1 441 . 20 1 1 A 42 42 ASP CB C 42 40.319 41.010 -0.691 1
1 442 . 20 1 1 A 42 42 ASP N N 42 120.159 118.107 2.052 1
1 443 . 20 1 1 A 43 43 LYS H H 43 8.036 7.979 0.057 1
1 444 . 20 1 1 A 43 43 LYS HA H 43 4.155 4.061 0.094 1
1 452 . 20 1 1 A 43 43 LYS C C 43 178.105 178.466 -0.361 1
1 453 . 20 1 1 A 43 43 LYS CA C 43 58.580 59.165 -0.585 1
1 454 . 20 1 1 A 43 43 LYS CB C 43 33.893 32.380 1.513 1
1 458 . 20 1 1 A 43 43 LYS N N 43 116.586 119.466 -2.880 1
1 459 . 20 1 1 A 44 44 SER H H 44 8.314 8.294 0.020 1
1 460 . 20 1 1 A 44 44 SER HA H 44 4.486 4.523 -0.037 1
1 463 . 20 1 1 A 44 44 SER C C 44 175.458 175.500 -0.042 1
1 464 . 20 1 1 A 44 44 SER CA C 44 59.955 58.828 1.127 1
1 465 . 20 1 1 A 44 44 SER CB C 44 66.025 64.991 1.034 1
1 466 . 20 1 1 A 44 44 SER N N 44 111.140 110.551 0.589 1
1 467 . 20 1 1 A 45 45 GLY H H 45 8.249 8.141 0.108 1
1 468 . 20 1 1 A 45 45 GLY HA2 H 45 3.872 3.965 -0.093 1
1 469 . 20 1 1 A 45 45 GLY HA3 H 45 4.233 3.968 0.265 1
1 470 . 20 1 1 A 45 45 GLY C C 45 174.317 174.285 0.032 1
1 471 . 20 1 1 A 45 45 GLY CA C 45 45.889 44.940 0.949 1
1 472 . 20 1 1 A 45 45 GLY N N 45 112.770 110.424 2.346 1
1 473 . 20 1 1 A 46 46 LEU H H 46 7.800 7.314 0.486 1
1 474 . 20 1 1 A 46 46 LEU HA H 46 4.685 4.434 0.251 1
1 484 . 20 1 1 A 46 46 LEU C C 46 174.366 174.857 -0.491 1
1 485 . 20 1 1 A 46 46 LEU CA C 46 52.235 53.295 -1.060 1
1 486 . 20 1 1 A 46 46 LEU CB C 46 43.285 41.262 2.023 1
1 490 . 20 1 1 A 46 46 LEU N N 46 121.722 122.472 -0.750 1
1 491 . 20 1 1 A 47 47 PRO HA H 47 4.542 4.573 -0.031 1
1 497 . 20 1 1 A 47 47 PRO C C 47 178.542 176.308 2.234 1
1 498 . 20 1 1 A 47 47 PRO CA C 47 62.000 62.285 -0.285 1
1 499 . 20 1 1 A 47 47 PRO CB C 47 32.731 33.306 -0.575 1
1 502 . 20 1 1 A 48 48 GLN H H 48 9.124 8.652 0.472 1
1 503 . 20 1 1 A 48 48 GLN HA H 48 3.629 4.118 -0.489 1
1 510 . 20 1 1 A 48 48 GLN C C 48 178.080 178.505 -0.425 1
1 511 . 20 1 1 A 48 48 GLN CA C 48 60.872 58.770 2.102 1
1 512 . 20 1 1 A 48 48 GLN CB C 48 28.455 29.081 -0.626 1
1 514 . 20 1 1 A 48 48 GLN N N 48 123.862 119.583 4.279 1
1 516 . 20 1 1 A 49 49 LYS H H 49 8.912 8.033 0.879 1
1 517 . 20 1 1 A 49 49 LYS HA H 49 3.969 4.100 -0.131 1
1 524 . 20 1 1 A 49 49 LYS C C 49 178.954 179.100 -0.146 1
1 525 . 20 1 1 A 49 49 LYS CA C 49 59.955 59.050 0.905 1
1 526 . 20 1 1 A 49 49 LYS CB C 49 32.327 32.138 0.189 1
1 530 . 20 1 1 A 49 49 LYS N N 49 116.406 119.196 -2.790 1
1 531 . 20 1 1 A 50 50 VAL H H 50 6.874 7.758 -0.884 1
1 532 . 20 1 1 A 50 50 VAL HA H 50 3.835 3.648 0.187 1
1 540 . 20 1 1 A 50 50 VAL C C 50 178.299 178.159 0.140 1
1 541 . 20 1 1 A 50 50 VAL CA C 50 65.560 66.503 -0.943 1
1 542 . 20 1 1 A 50 50 VAL CB C 50 32.080 31.666 0.414 1
1 545 . 20 1 1 A 50 50 VAL N N 50 119.065 120.449 -1.384 1
1 546 . 20 1 1 A 51 51 ILE H H 51 7.503 8.323 -0.820 1
1 547 . 20 1 1 A 51 51 ILE HA H 51 3.672 3.597 0.075 1
1 557 . 20 1 1 A 51 51 ILE C C 51 178.007 178.489 -0.482 1
1 558 . 20 1 1 A 51 51 ILE CA C 51 66.019 66.013 0.006 1
1 559 . 20 1 1 A 51 51 ILE CB C 51 38.081 37.925 0.156 1
1 563 . 20 1 1 A 51 51 ILE N N 51 121.254 119.552 1.702 1
1 564 . 20 1 1 A 52 52 LYS H H 52 8.596 7.984 0.612 1
1 565 . 20 1 1 A 52 52 LYS HA H 52 3.984 4.144 -0.160 1
1 572 . 20 1 1 A 52 52 LYS C C 52 179.302 179.787 -0.485 1
1 573 . 20 1 1 A 52 52 LYS CA C 52 60.978 59.672 1.306 1
1 574 . 20 1 1 A 52 52 LYS CB C 52 32.574 32.370 0.204 1
1 578 . 20 1 1 A 52 52 LYS N N 52 118.531 118.983 -0.452 1
1 579 . 20 1 1 A 53 53 HIS H H 53 7.952 8.706 -0.754 1
1 580 . 20 1 1 A 53 53 HIS HA H 53 4.324 4.306 0.018 1
1 585 . 20 1 1 A 53 53 HIS C C 53 177.085 178.043 -0.958 1
1 586 . 20 1 1 A 53 53 HIS CA C 53 60.026 59.040 0.986 1
1 587 . 20 1 1 A 53 53 HIS CB C 53 30.867 30.364 0.503 1
1 590 . 20 1 1 A 53 53 HIS N N 53 118.728 118.385 0.343 1
1 591 . 20 1 1 A 54 54 TRP H H 54 8.614 8.469 0.145 1
1 592 . 20 1 1 A 54 54 TRP HA H 54 4.048 4.277 -0.229 1
1 601 . 20 1 1 A 54 54 TRP C C 54 180.144 178.232 1.912 1
1 602 . 20 1 1 A 54 54 TRP CA C 54 62.916 61.169 1.747 1
1 603 . 20 1 1 A 54 54 TRP CB C 54 28.766 29.892 -1.126 1
1 609 . 20 1 1 A 54 54 TRP N N 54 121.845 121.417 0.428 1
1 611 . 20 1 1 A 55 55 PHE H H 55 9.035 8.454 0.581 1
1 612 . 20 1 1 A 55 55 PHE HA H 55 3.786 3.931 -0.145 1
1 620 . 20 1 1 A 55 55 PHE C C 55 178.129 177.913 0.216 1
1 621 . 20 1 1 A 55 55 PHE CA C 55 63.617 62.267 1.350 1
1 622 . 20 1 1 A 55 55 PHE CB C 55 39.260 38.636 0.624 1
1 628 . 20 1 1 A 55 55 PHE N N 55 120.180 117.765 2.415 1
1 629 . 20 1 1 A 56 56 ARG H H 56 7.962 8.375 -0.413 1
1 630 . 20 1 1 A 56 56 ARG HA H 56 4.095 3.978 0.117 1
1 636 . 20 1 1 A 56 56 ARG C C 56 178.444 178.156 0.288 1
1 637 . 20 1 1 A 56 56 ARG CA C 56 59.356 59.594 -0.238 1
1 638 . 20 1 1 A 56 56 ARG CB C 56 30.087 29.626 0.461 1
1 641 . 20 1 1 A 56 56 ARG N N 56 118.370 120.702 -2.332 1
1 642 . 20 1 1 A 57 57 ASN H H 57 8.194 8.534 -0.340 1
1 643 . 20 1 1 A 57 57 ASN HA H 57 4.401 4.390 0.011 1
1 648 . 20 1 1 A 57 57 ASN C C 57 176.866 177.955 -1.089 1
1 649 . 20 1 1 A 57 57 ASN CA C 57 55.497 56.075 -0.578 1
1 650 . 20 1 1 A 57 57 ASN CB C 57 38.640 39.575 -0.935 1
1 651 . 20 1 1 A 57 57 ASN N N 57 117.190 117.810 -0.620 1
1 653 . 20 1 1 A 58 58 THR H H 58 7.999 7.604 0.395 1
1 654 . 20 1 1 A 58 58 THR HA H 58 3.426 3.745 -0.319 1
1 659 . 20 1 1 A 58 58 THR C C 58 175.361 176.385 -1.024 1
1 660 . 20 1 1 A 58 58 THR CA C 58 65.801 66.636 -0.835 1
1 661 . 20 1 1 A 58 58 THR CB C 58 68.064 67.688 0.376 1
1 663 . 20 1 1 A 58 58 THR N N 58 117.859 115.652 2.207 1
1 664 . 20 1 1 A 59 59 LEU H H 59 7.950 8.647 -0.697 1
1 665 . 20 1 1 A 59 59 LEU HA H 59 4.127 4.293 -0.166 1
1 674 . 20 1 1 A 59 59 LEU C C 59 177.886 178.606 -0.720 1
1 675 . 20 1 1 A 59 59 LEU CA C 59 57.628 58.479 -0.851 1
1 676 . 20 1 1 A 59 59 LEU CB C 59 42.296 42.262 0.034 1
1 680 . 20 1 1 A 59 59 LEU N N 59 122.280 121.659 0.621 1
1 681 . 20 1 1 A 60 60 PHE H H 60 7.797 8.921 -1.124 1
1 682 . 20 1 1 A 60 60 PHE HA H 60 4.309 4.036 0.273 1
1 690 . 20 1 1 A 60 60 PHE C C 60 177.085 177.120 -0.035 1
1 691 . 20 1 1 A 60 60 PHE CA C 60 59.920 61.739 -1.819 1
1 692 . 20 1 1 A 60 60 PHE CB C 60 38.918 39.448 -0.530 1
1 698 . 20 1 1 A 60 60 PHE N N 60 118.008 119.755 -1.747 1
1 699 . 20 1 1 A 61 61 LYS H H 61 7.839 8.199 -0.360 1
1 700 . 20 1 1 A 61 61 LYS HA H 61 4.007 4.221 -0.214 1
1 707 . 20 1 1 A 61 61 LYS C C 61 178.032 179.476 -1.444 1
1 708 . 20 1 1 A 61 61 LYS CA C 61 58.016 58.972 -0.956 1
1 709 . 20 1 1 A 61 61 LYS CB C 61 32.657 32.541 0.116 1
1 713 . 20 1 1 A 61 61 LYS N N 61 119.447 118.721 0.726 1
1 714 . 20 1 1 A 62 62 GLU H H 62 8.139 8.601 -0.462 1
1 715 . 20 1 1 A 62 62 GLU HA H 62 4.146 4.066 0.080 1
1 720 . 20 1 1 A 62 62 GLU C C 62 177.595 178.907 -1.312 1
1 721 . 20 1 1 A 62 62 GLU CA C 62 57.699 59.447 -1.748 1
1 722 . 20 1 1 A 62 62 GLU CB C 62 29.608 29.339 0.269 1
1 724 . 20 1 1 A 62 62 GLU N N 62 119.302 120.173 -0.871 1
1 725 . 20 1 1 A 63 63 ARG H H 63 8.015 7.964 0.051 1
1 726 . 20 1 1 A 63 63 ARG HA H 63 4.258 4.285 -0.027 1
1 732 . 20 1 1 A 63 63 ARG C C 63 176.769 176.214 0.555 1
1 733 . 20 1 1 A 63 63 ARG CA C 63 56.677 57.914 -1.237 1
1 734 . 20 1 1 A 63 63 ARG CB C 63 30.514 30.981 -0.467 1
1 737 . 20 1 1 A 63 63 ARG N N 63 119.598 117.757 1.841 1
1 738 . 20 1 1 A 64 64 GLN H H 64 8.058 7.722 0.336 1
1 739 . 20 1 1 A 64 64 GLN HA H 64 4.242 4.795 -0.553 1
1 745 . 20 1 1 A 64 64 GLN C C 64 176.114 174.410 1.704 1
1 746 . 20 1 1 A 64 64 GLN CA C 64 56.148 54.864 1.284 1
1 747 . 20 1 1 A 64 64 GLN CB C 64 29.258 30.398 -1.140 1
1 749 . 20 1 1 A 64 64 GLN N N 64 120.027 117.969 2.058 1
1 751 . 20 1 1 A 65 65 SER H H 65 8.172 8.882 -0.710 1
1 752 . 20 1 1 A 65 65 SER HA H 65 4.457 5.371 -0.914 1
1 755 . 20 1 1 A 65 65 SER C C 65 174.487 173.241 1.246 1
1 756 . 20 1 1 A 65 65 SER CA C 65 58.404 56.358 2.046 1
1 757 . 20 1 1 A 65 65 SER CB C 65 63.965 64.898 -0.933 1
1 758 . 20 1 1 A 65 65 SER N N 65 116.070 118.434 -2.364 1
1 759 . 20 1 1 A 66 66 GLY H H 66 8.170 8.309 -0.139 1
1 760 . 20 1 1 A 66 66 GLY HA2 H 66 4.141 4.253 -0.112 1
1 761 . 20 1 1 A 66 66 GLY HA3 H 66 4.082 4.255 -0.173 1
1 762 . 20 1 1 A 66 66 GLY C C 66 171.768 171.987 -0.219 1
1 763 . 20 1 1 A 66 66 GLY CA C 66 44.620 45.530 -0.910 1
1 764 . 20 1 1 A 66 66 GLY N N 66 110.579 113.046 -2.467 1
1 765 . 20 1 1 A 67 67 PRO HA H 67 4.453 4.601 -0.148 1
1 770 . 20 1 1 A 67 67 PRO C C 67 177.400 175.674 1.726 1
1 771 . 20 1 1 A 67 67 PRO CA C 67 63.198 62.740 0.458 1
1 772 . 20 1 1 A 67 67 PRO CB C 67 32.171 31.495 0.676 1
1 775 . 20 1 1 A 68 68 SER H H 68 8.525 8.705 -0.180 1
1 776 . 20 1 1 A 68 68 SER HA H 68 4.490 4.730 -0.240 1
1 779 . 20 1 1 A 68 68 SER C C 68 174.657 174.339 0.318 1
1 780 . 20 1 1 A 68 68 SER CA C 68 58.589 57.055 1.534 1
1 781 . 20 1 1 A 68 68 SER CB C 68 63.800 63.431 0.369 1
1 782 . 20 1 1 A 68 68 SER N N 68 116.415 118.889 -2.474 1
1 783 . 20 1 1 A 69 69 SER H H 69 8.316 8.975 -0.659 1
1 784 . 20 1 1 A 69 69 SER HA H 69 4.467 4.282 0.185 1
1 787 . 20 1 1 A 69 69 SER C C 69 173.953 174.602 -0.649 1
1 788 . 20 1 1 A 69 69 SER CA C 69 58.369 60.196 -1.827 1
1 789 . 20 1 1 A 69 69 SER CB C 69 64.047 63.966 0.081 1
1 790 . 20 1 1 A 69 69 SER N N 69 117.832 123.977 -6.145 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 63 1.005 1
2 1 1 1 "RMS(OBS, PRED)" CA 63 1.168 1
3 1 1 1 "RMS(OBS, PRED)" CB 60 0.897 1
4 1 1 1 "RMS(OBS, PRED)" H 58 0.468 1
5 1 1 1 "RMS(OBS, PRED)" HA 65 0.242 1
6 1 1 1 "RMS(OBS, PRED)" N 56 2.377 1
7 1 2 1 "RMS(OBS, PRED)" C 63 0.895 1
8 1 2 1 "RMS(OBS, PRED)" CA 63 1.141 1
9 1 2 1 "RMS(OBS, PRED)" CB 60 0.834 1
10 1 2 1 "RMS(OBS, PRED)" H 58 0.468 1
11 1 2 1 "RMS(OBS, PRED)" HA 65 0.208 1
12 1 2 1 "RMS(OBS, PRED)" N 56 2.069 1
13 1 3 1 "RMS(OBS, PRED)" C 63 1.105 1
14 1 3 1 "RMS(OBS, PRED)" CA 63 1.206 1
15 1 3 1 "RMS(OBS, PRED)" CB 60 0.907 1
16 1 3 1 "RMS(OBS, PRED)" H 58 0.490 1
17 1 3 1 "RMS(OBS, PRED)" HA 65 0.268 1
18 1 3 1 "RMS(OBS, PRED)" N 56 2.080 1
19 1 4 1 "RMS(OBS, PRED)" C 63 1.028 1
20 1 4 1 "RMS(OBS, PRED)" CA 63 1.195 1
21 1 4 1 "RMS(OBS, PRED)" CB 60 1.057 1
22 1 4 1 "RMS(OBS, PRED)" H 58 0.444 1
23 1 4 1 "RMS(OBS, PRED)" HA 65 0.226 1
24 1 4 1 "RMS(OBS, PRED)" N 56 2.156 1
25 1 5 1 "RMS(OBS, PRED)" C 63 0.911 1
26 1 5 1 "RMS(OBS, PRED)" CA 63 1.241 1
27 1 5 1 "RMS(OBS, PRED)" CB 60 0.891 1
28 1 5 1 "RMS(OBS, PRED)" H 58 0.455 1
29 1 5 1 "RMS(OBS, PRED)" HA 65 0.206 1
30 1 5 1 "RMS(OBS, PRED)" N 56 2.271 1
31 1 6 1 "RMS(OBS, PRED)" C 63 0.978 1
32 1 6 1 "RMS(OBS, PRED)" CA 63 1.143 1
33 1 6 1 "RMS(OBS, PRED)" CB 60 0.940 1
34 1 6 1 "RMS(OBS, PRED)" H 58 0.480 1
35 1 6 1 "RMS(OBS, PRED)" HA 65 0.245 1
36 1 6 1 "RMS(OBS, PRED)" N 56 1.998 1
37 1 7 1 "RMS(OBS, PRED)" C 63 0.949 1
38 1 7 1 "RMS(OBS, PRED)" CA 63 1.215 1
39 1 7 1 "RMS(OBS, PRED)" CB 60 0.894 1
40 1 7 1 "RMS(OBS, PRED)" H 58 0.473 1
41 1 7 1 "RMS(OBS, PRED)" HA 65 0.220 1
42 1 7 1 "RMS(OBS, PRED)" N 56 2.282 1
43 1 8 1 "RMS(OBS, PRED)" C 63 0.972 1
44 1 8 1 "RMS(OBS, PRED)" CA 63 1.197 1
45 1 8 1 "RMS(OBS, PRED)" CB 60 1.010 1
46 1 8 1 "RMS(OBS, PRED)" H 58 0.478 1
47 1 8 1 "RMS(OBS, PRED)" HA 65 0.246 1
48 1 8 1 "RMS(OBS, PRED)" N 56 2.346 1
49 1 9 1 "RMS(OBS, PRED)" C 63 0.930 1
50 1 9 1 "RMS(OBS, PRED)" CA 63 1.216 1
51 1 9 1 "RMS(OBS, PRED)" CB 60 1.142 1
52 1 9 1 "RMS(OBS, PRED)" H 58 0.501 1
53 1 9 1 "RMS(OBS, PRED)" HA 65 0.282 1
54 1 9 1 "RMS(OBS, PRED)" N 56 2.442 1
55 1 10 1 "RMS(OBS, PRED)" C 63 0.988 1
56 1 10 1 "RMS(OBS, PRED)" CA 63 1.172 1
57 1 10 1 "RMS(OBS, PRED)" CB 60 1.000 1
58 1 10 1 "RMS(OBS, PRED)" H 58 0.456 1
59 1 10 1 "RMS(OBS, PRED)" HA 65 0.235 1
60 1 10 1 "RMS(OBS, PRED)" N 56 2.244 1
61 1 11 1 "RMS(OBS, PRED)" C 63 0.981 1
62 1 11 1 "RMS(OBS, PRED)" CA 63 1.120 1
63 1 11 1 "RMS(OBS, PRED)" CB 60 0.865 1
64 1 11 1 "RMS(OBS, PRED)" H 58 0.480 1
65 1 11 1 "RMS(OBS, PRED)" HA 65 0.220 1
66 1 11 1 "RMS(OBS, PRED)" N 56 2.455 1
67 1 12 1 "RMS(OBS, PRED)" C 63 0.917 1
68 1 12 1 "RMS(OBS, PRED)" CA 63 1.220 1
69 1 12 1 "RMS(OBS, PRED)" CB 60 0.961 1
70 1 12 1 "RMS(OBS, PRED)" H 58 0.496 1
71 1 12 1 "RMS(OBS, PRED)" HA 65 0.256 1
72 1 12 1 "RMS(OBS, PRED)" N 56 2.452 1
73 1 13 1 "RMS(OBS, PRED)" C 63 0.999 1
74 1 13 1 "RMS(OBS, PRED)" CA 63 1.137 1
75 1 13 1 "RMS(OBS, PRED)" CB 60 1.024 1
76 1 13 1 "RMS(OBS, PRED)" H 58 0.476 1
77 1 13 1 "RMS(OBS, PRED)" HA 65 0.229 1
78 1 13 1 "RMS(OBS, PRED)" N 56 2.138 1
79 1 14 1 "RMS(OBS, PRED)" C 63 1.066 1
80 1 14 1 "RMS(OBS, PRED)" CA 63 1.190 1
81 1 14 1 "RMS(OBS, PRED)" CB 60 1.114 1
82 1 14 1 "RMS(OBS, PRED)" H 58 0.504 1
83 1 14 1 "RMS(OBS, PRED)" HA 65 0.249 1
84 1 14 1 "RMS(OBS, PRED)" N 56 2.376 1
85 1 15 1 "RMS(OBS, PRED)" C 63 0.996 1
86 1 15 1 "RMS(OBS, PRED)" CA 63 1.183 1
87 1 15 1 "RMS(OBS, PRED)" CB 60 1.216 1
88 1 15 1 "RMS(OBS, PRED)" H 58 0.473 1
89 1 15 1 "RMS(OBS, PRED)" HA 65 0.230 1
90 1 15 1 "RMS(OBS, PRED)" N 56 2.133 1
91 1 16 1 "RMS(OBS, PRED)" C 63 0.993 1
92 1 16 1 "RMS(OBS, PRED)" CA 63 1.277 1
93 1 16 1 "RMS(OBS, PRED)" CB 60 1.067 1
94 1 16 1 "RMS(OBS, PRED)" H 58 0.476 1
95 1 16 1 "RMS(OBS, PRED)" HA 65 0.230 1
96 1 16 1 "RMS(OBS, PRED)" N 56 2.172 1
97 1 17 1 "RMS(OBS, PRED)" C 63 0.994 1
98 1 17 1 "RMS(OBS, PRED)" CA 63 1.211 1
99 1 17 1 "RMS(OBS, PRED)" CB 60 1.079 1
100 1 17 1 "RMS(OBS, PRED)" H 58 0.488 1
101 1 17 1 "RMS(OBS, PRED)" HA 65 0.276 1
102 1 17 1 "RMS(OBS, PRED)" N 56 2.507 1
103 1 18 1 "RMS(OBS, PRED)" C 63 0.960 1
104 1 18 1 "RMS(OBS, PRED)" CA 63 1.144 1
105 1 18 1 "RMS(OBS, PRED)" CB 60 1.081 1
106 1 18 1 "RMS(OBS, PRED)" H 58 0.474 1
107 1 18 1 "RMS(OBS, PRED)" HA 65 0.279 1
108 1 18 1 "RMS(OBS, PRED)" N 56 2.268 1
109 1 19 1 "RMS(OBS, PRED)" C 63 0.973 1
110 1 19 1 "RMS(OBS, PRED)" CA 63 1.135 1
111 1 19 1 "RMS(OBS, PRED)" CB 60 0.965 1
112 1 19 1 "RMS(OBS, PRED)" H 58 0.495 1
113 1 19 1 "RMS(OBS, PRED)" HA 65 0.257 1
114 1 19 1 "RMS(OBS, PRED)" N 56 2.250 1
115 1 20 1 "RMS(OBS, PRED)" C 63 0.958 1
116 1 20 1 "RMS(OBS, PRED)" CA 63 1.154 1
117 1 20 1 "RMS(OBS, PRED)" CB 60 1.181 1
118 1 20 1 "RMS(OBS, PRED)" H 58 0.503 1
119 1 20 1 "RMS(OBS, PRED)" HA 65 0.296 1
120 1 20 1 "RMS(OBS, PRED)" N 56 2.329 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 7 7 GLY H H 7 8.499 8.378 0.121 2
1 2 . 1 1 A 7 7 GLY HA2 H 7 3.948 4.122 -0.174 2
1 3 . 1 1 A 7 7 GLY HA3 H 7 3.948 4.126 -0.178 2
1 4 . 1 1 A 7 7 GLY C C 7 173.949 173.577 0.373 2
1 5 . 1 1 A 7 7 GLY CA C 7 45.325 45.240 0.085 2
1 6 . 1 1 A 8 8 LYS H H 8 8.116 8.505 -0.389 2
1 7 . 1 1 A 8 8 LYS HA H 8 4.308 4.480 -0.172 2
1 14 . 1 1 A 8 8 LYS C C 8 176.504 175.688 0.816 2
1 15 . 1 1 A 8 8 LYS CA C 8 56.113 56.086 0.027 2
1 16 . 1 1 A 8 8 LYS CB C 8 33.151 33.422 -0.271 2
1 20 . 1 1 A 8 8 LYS N N 8 120.734 121.576 -0.842 2
1 21 . 1 1 A 9 9 ARG H H 9 8.362 8.235 0.127 2
1 22 . 1 1 A 9 9 ARG HA H 9 4.590 4.748 -0.158 2
1 27 . 1 1 A 9 9 ARG C C 9 176.479 174.754 1.725 2
1 28 . 1 1 A 9 9 ARG CA C 9 53.962 53.530 0.432 2
1 29 . 1 1 A 9 9 ARG CB C 9 30.103 31.557 -1.454 2
1 32 . 1 1 A 9 9 ARG N N 9 123.609 120.466 3.143 2
1 33 . 1 1 A 10 10 PRO HA H 10 4.419 4.545 -0.126 2
1 39 . 1 1 A 10 10 PRO C C 10 176.796 176.426 0.370 2
1 40 . 1 1 A 10 10 PRO CA C 10 62.987 63.202 -0.215 2
1 41 . 1 1 A 10 10 PRO CB C 10 32.080 31.954 0.126 2
1 44 . 1 1 A 11 11 ARG H H 11 8.517 8.314 0.203 2
1 45 . 1 1 A 11 11 ARG C C 11 176.551 175.611 0.940 2
1 46 . 1 1 A 11 11 ARG CA C 11 56.077 56.082 -0.005 2
1 47 . 1 1 A 11 11 ARG CB C 11 30.762 31.432 -0.670 2
1 48 . 1 1 A 11 11 ARG N N 11 121.931 120.538 1.393 2
1 49 . 1 1 A 12 12 THR HA H 12 4.260 4.591 -0.331 2
1 54 . 1 1 A 12 12 THR C C 12 173.904 173.614 0.290 2
1 55 . 1 1 A 12 12 THR CA C 12 62.218 61.773 0.445 2
1 56 . 1 1 A 12 12 THR CB C 12 69.843 70.058 -0.215 2
1 58 . 1 1 A 13 13 ARG H H 13 8.434 8.561 -0.127 2
1 59 . 1 1 A 13 13 ARG HA H 13 4.381 4.695 -0.314 2
1 65 . 1 1 A 13 13 ARG C C 13 175.336 175.354 -0.018 2
1 66 . 1 1 A 13 13 ARG CA C 13 55.972 55.483 0.489 2
1 67 . 1 1 A 13 13 ARG CB C 13 31.059 32.446 -1.387 2
1 70 . 1 1 A 13 13 ARG N N 13 125.368 125.350 0.018 2
1 71 . 1 1 A 14 14 ILE H H 14 8.179 8.602 -0.423 2
1 72 . 1 1 A 14 14 ILE HA H 14 4.268 4.473 -0.205 2
1 82 . 1 1 A 14 14 ILE C C 14 176.844 175.982 0.862 2
1 83 . 1 1 A 14 14 ILE CA C 14 61.647 60.811 0.836 2
1 84 . 1 1 A 14 14 ILE CB C 14 39.248 38.623 0.625 2
1 88 . 1 1 A 14 14 ILE N N 14 123.951 126.391 -2.440 2
1 89 . 1 1 A 15 15 THR H H 15 8.922 8.379 0.543 2
1 90 . 1 1 A 15 15 THR HA H 15 4.386 4.744 -0.358 2
1 95 . 1 1 A 15 15 THR C C 15 175.263 175.064 0.199 2
1 96 . 1 1 A 15 15 THR CA C 15 61.402 60.020 1.382 2
1 97 . 1 1 A 15 15 THR CB C 15 70.796 71.491 -0.695 2
1 99 . 1 1 A 15 15 THR N N 15 119.222 117.869 1.353 2
1 100 . 1 1 A 16 16 ASP H H 16 8.951 8.968 -0.017 2
1 101 . 1 1 A 16 16 ASP HA H 16 4.353 4.309 0.044 2
1 104 . 1 1 A 16 16 ASP C C 16 178.888 177.956 0.932 2
1 105 . 1 1 A 16 16 ASP CA C 16 58.016 57.200 0.816 2
1 106 . 1 1 A 16 16 ASP CB C 16 40.154 40.333 -0.179 2
1 107 . 1 1 A 16 16 ASP N N 16 120.852 124.133 -3.281 2
1 108 . 1 1 A 17 17 ASP H H 17 8.387 8.244 0.143 2
1 109 . 1 1 A 17 17 ASP HA H 17 4.361 4.407 -0.046 2
1 112 . 1 1 A 17 17 ASP C C 17 178.815 177.885 0.930 2
1 113 . 1 1 A 17 17 ASP CA C 17 57.311 56.514 0.797 2
1 114 . 1 1 A 17 17 ASP CB C 17 40.649 40.450 0.199 2
1 115 . 1 1 A 17 17 ASP N N 17 118.488 119.309 -0.821 2
1 116 . 1 1 A 18 18 GLN H H 18 7.561 7.603 -0.042 2
1 117 . 1 1 A 18 18 GLN HA H 18 3.844 4.234 -0.390 2
1 124 . 1 1 A 18 18 GLN C C 18 177.988 178.055 -0.067 2
1 125 . 1 1 A 18 18 GLN CA C 18 58.933 57.659 1.274 2
1 126 . 1 1 A 18 18 GLN CB C 18 28.702 29.143 -0.441 2
1 128 . 1 1 A 18 18 GLN N N 18 119.852 119.039 0.813 2
1 130 . 1 1 A 19 19 LEU H H 19 8.538 8.201 0.337 2
1 131 . 1 1 A 19 19 LEU HA H 19 3.549 3.724 -0.175 2
1 141 . 1 1 A 19 19 LEU C C 19 178.202 178.138 0.064 2
1 142 . 1 1 A 19 19 LEU CA C 19 57.593 57.813 -0.220 2
1 143 . 1 1 A 19 19 LEU CB C 19 41.720 41.505 0.215 2
1 147 . 1 1 A 19 19 LEU N N 19 120.203 122.013 -1.810 2
1 148 . 1 1 A 20 20 ARG H H 20 7.644 8.061 -0.417 2
1 149 . 1 1 A 20 20 ARG HA H 20 3.893 4.101 -0.208 2
1 155 . 1 1 A 20 20 ARG C C 20 179.148 178.356 0.792 2
1 156 . 1 1 A 20 20 ARG CA C 20 59.744 58.648 1.096 2
1 157 . 1 1 A 20 20 ARG CB C 20 29.855 30.032 -0.177 2
1 160 . 1 1 A 20 20 ARG N N 20 117.442 117.558 -0.116 2
1 161 . 1 1 A 21 21 VAL H H 21 7.074 7.834 -0.760 2
1 162 . 1 1 A 21 21 VAL HA H 21 3.726 3.731 -0.005 2
1 170 . 1 1 A 21 21 VAL C C 21 177.643 178.312 -0.669 2
1 171 . 1 1 A 21 21 VAL CA C 21 66.098 66.160 -0.062 2
1 172 . 1 1 A 21 21 VAL CB C 21 31.750 31.598 0.152 2
1 175 . 1 1 A 21 21 VAL N N 21 118.796 120.627 -1.831 2
1 176 . 1 1 A 22 22 LEU H H 22 7.620 7.962 -0.342 2
1 177 . 1 1 A 22 22 LEU HA H 22 3.947 4.026 -0.079 2
1 187 . 1 1 A 22 22 LEU C C 22 178.979 178.838 0.141 2
1 188 . 1 1 A 22 22 LEU CA C 22 58.369 57.336 1.033 2
1 189 . 1 1 A 22 22 LEU CB C 22 38.869 40.688 -1.819 2
1 193 . 1 1 A 22 22 LEU N N 22 119.184 119.922 -0.738 2
1 194 . 1 1 A 23 23 ARG H H 23 8.451 8.271 0.180 2
1 195 . 1 1 A 23 23 ARG HA H 23 4.054 4.214 -0.160 2
1 202 . 1 1 A 23 23 ARG C C 23 178.177 179.509 -1.332 2
1 203 . 1 1 A 23 23 ARG CA C 23 59.157 59.651 -0.494 2
1 204 . 1 1 A 23 23 ARG CB C 23 29.772 30.227 -0.455 2
1 207 . 1 1 A 23 23 ARG N N 23 116.571 119.801 -3.230 2
1 208 . 1 1 A 24 24 GLN H H 24 7.749 8.397 -0.648 2
1 209 . 1 1 A 24 24 GLN HA H 24 4.129 4.068 0.061 2
1 216 . 1 1 A 24 24 GLN C C 24 179.100 178.585 0.515 2
1 217 . 1 1 A 24 24 GLN CA C 24 58.827 59.019 -0.192 2
1 218 . 1 1 A 24 24 GLN CB C 24 28.290 28.306 -0.016 2
1 220 . 1 1 A 24 24 GLN N N 24 118.256 118.799 -0.542 2
1 222 . 1 1 A 25 25 TYR H H 25 7.902 8.089 -0.187 2
1 223 . 1 1 A 25 25 TYR HA H 25 4.295 4.339 -0.044 2
1 230 . 1 1 A 25 25 TYR C C 25 178.080 178.491 -0.411 2
1 231 . 1 1 A 25 25 TYR CA C 25 61.506 60.737 0.769 2
1 232 . 1 1 A 25 25 TYR CB C 25 39.001 38.094 0.907 2
1 237 . 1 1 A 25 25 TYR N N 25 117.374 120.308 -2.934 2
1 238 . 1 1 A 26 26 PHE H H 26 8.935 8.504 0.431 2
1 239 . 1 1 A 26 26 PHE HA H 26 4.366 4.588 -0.222 2
1 247 . 1 1 A 26 26 PHE C C 26 175.847 176.714 -0.867 2
1 248 . 1 1 A 26 26 PHE CA C 26 61.452 62.137 -0.685 2
1 249 . 1 1 A 26 26 PHE CB C 26 39.538 39.379 0.159 2
1 255 . 1 1 A 27 27 ASP H H 27 8.138 8.270 -0.132 2
1 256 . 1 1 A 27 27 ASP HA H 27 4.407 4.361 0.046 2
1 259 . 1 1 A 27 27 ASP C C 27 177.546 178.616 -1.070 2
1 260 . 1 1 A 27 27 ASP CA C 27 56.007 57.485 -1.478 2
1 261 . 1 1 A 27 27 ASP CB C 27 40.813 41.381 -0.568 2
1 262 . 1 1 A 27 27 ASP N N 27 116.760 118.922 -2.162 2
1 263 . 1 1 A 28 28 ILE H H 28 7.463 7.209 0.254 2
1 264 . 1 1 A 28 28 ILE HA H 28 3.945 3.836 0.109 2
1 274 . 1 1 A 28 28 ILE C C 28 176.260 176.273 -0.013 2
1 275 . 1 1 A 28 28 ILE CA C 28 62.881 64.397 -1.516 2
1 276 . 1 1 A 28 28 ILE CB C 28 38.836 38.077 0.759 2
1 280 . 1 1 A 28 28 ILE N N 28 119.169 118.509 0.660 2
1 281 . 1 1 A 29 29 ASN H H 29 8.214 8.025 0.189 2
1 282 . 1 1 A 29 29 ASN HA H 29 4.620 4.958 -0.338 2
1 287 . 1 1 A 29 29 ASN C C 29 173.633 175.378 -1.745 2
1 288 . 1 1 A 29 29 ASN CA C 29 53.081 51.934 1.147 2
1 289 . 1 1 A 29 29 ASN CB C 29 39.330 41.212 -1.882 2
1 290 . 1 1 A 29 29 ASN N N 29 117.989 116.087 1.902 2
1 292 . 1 1 A 30 30 ASN H H 30 8.383 8.533 -0.150 2
1 293 . 1 1 A 30 30 ASN HA H 30 4.231 3.929 0.302 2
1 298 . 1 1 A 30 30 ASN C C 30 174.338 175.279 -0.941 2
1 299 . 1 1 A 30 30 ASN CA C 30 53.610 56.619 -3.009 2
1 300 . 1 1 A 30 30 ASN CB C 30 38.836 38.386 0.450 2
1 301 . 1 1 A 30 30 ASN N N 30 120.522 122.266 -1.744 2
1 303 . 1 1 A 31 31 SER H H 31 7.941 7.935 0.006 2
1 304 . 1 1 A 31 31 SER HA H 31 4.795 4.759 0.036 2
1 307 . 1 1 A 31 31 SER C C 31 174.387 172.215 2.172 2
1 308 . 1 1 A 31 31 SER CA C 31 54.843 54.962 -0.119 2
1 309 . 1 1 A 31 31 SER CB C 31 63.553 64.847 -1.294 2
1 310 . 1 1 A 31 31 SER N N 31 112.907 112.168 0.739 2
1 311 . 1 1 A 32 32 PRO HA H 32 4.437 4.664 -0.227 2
1 318 . 1 1 A 32 32 PRO C C 32 176.844 175.970 0.874 2
1 319 . 1 1 A 32 32 PRO CA C 32 62.180 62.144 0.036 2
1 320 . 1 1 A 32 32 PRO CB C 32 32.380 32.153 0.227 2
1 323 . 1 1 A 33 33 SER H H 33 8.658 8.385 0.273 2
1 324 . 1 1 A 33 33 SER HA H 33 4.462 4.773 -0.311 2
1 327 . 1 1 A 33 33 SER C C 33 175.068 175.684 -0.616 2
1 328 . 1 1 A 33 33 SER CA C 33 56.539 56.511 0.028 2
1 329 . 1 1 A 33 33 SER CB C 33 65.613 65.856 -0.243 2
1 330 . 1 1 A 33 33 SER N N 33 117.201 115.145 2.056 2
1 331 . 1 1 A 34 34 GLU H H 34 8.983 9.082 -0.099 2
1 332 . 1 1 A 34 34 GLU HA H 34 3.885 3.964 -0.079 2
1 337 . 1 1 A 34 34 GLU C C 34 179.464 178.415 1.049 2
1 338 . 1 1 A 34 34 GLU CA C 34 59.990 59.392 0.598 2
1 339 . 1 1 A 34 34 GLU CB C 34 29.031 29.164 -0.133 2
1 341 . 1 1 A 34 34 GLU N N 34 120.557 122.781 -2.224 2
1 342 . 1 1 A 35 35 GLU H H 35 8.672 7.928 0.744 2
1 343 . 1 1 A 35 35 GLU HA H 35 3.989 4.094 -0.105 2
1 348 . 1 1 A 35 35 GLU C C 35 179.440 178.869 0.571 2
1 349 . 1 1 A 35 35 GLU CA C 35 60.096 59.125 0.971 2
1 350 . 1 1 A 35 35 GLU CB C 35 28.949 29.775 -0.826 2
1 352 . 1 1 A 35 35 GLU N N 35 119.112 119.971 -0.859 2
1 353 . 1 1 A 36 36 GLN H H 36 7.705 8.093 -0.388 2
1 354 . 1 1 A 36 36 GLN HA H 36 4.012 4.165 -0.153 2
1 360 . 1 1 A 36 36 GLN C C 36 178.372 178.305 0.067 2
1 361 . 1 1 A 36 36 GLN CA C 36 58.968 58.457 0.511 2
1 362 . 1 1 A 36 36 GLN CB C 36 28.290 28.358 -0.068 2
1 364 . 1 1 A 36 36 GLN N N 36 120.638 118.728 1.910 2
1 366 . 1 1 A 37 37 ILE H H 37 8.308 8.480 -0.172 2
1 367 . 1 1 A 37 37 ILE HA H 37 3.474 3.699 -0.225 2
1 377 . 1 1 A 37 37 ILE C C 37 177.400 178.669 -1.269 2
1 378 . 1 1 A 37 37 ILE CA C 37 65.173 64.780 0.393 2
1 379 . 1 1 A 37 37 ILE CB C 37 36.447 37.694 -1.247 2
1 383 . 1 1 A 37 37 ILE N N 37 121.515 120.563 0.952 2
1 384 . 1 1 A 38 38 LYS H H 38 7.808 7.864 -0.056 2
1 385 . 1 1 A 38 38 LYS HA H 38 3.803 4.015 -0.212 2
1 393 . 1 1 A 38 38 LYS C C 38 178.153 178.750 -0.597 2
1 394 . 1 1 A 38 38 LYS CA C 38 60.096 59.226 0.870 2
1 395 . 1 1 A 38 38 LYS CB C 38 31.833 32.525 -0.692 2
1 399 . 1 1 A 38 38 LYS N N 38 120.672 122.457 -1.785 2
1 400 . 1 1 A 39 39 GLU H H 39 7.719 8.137 -0.418 2
1 401 . 1 1 A 39 39 GLU HA H 39 4.089 4.079 0.010 2
1 406 . 1 1 A 39 39 GLU C C 39 179.278 178.526 0.752 2
1 407 . 1 1 A 39 39 GLU CA C 39 59.522 59.146 0.376 2
1 408 . 1 1 A 39 39 GLU CB C 39 29.773 29.031 0.742 2
1 410 . 1 1 A 39 39 GLU N N 39 119.510 117.561 1.949 2
1 411 . 1 1 A 40 40 MET H H 40 8.167 8.381 -0.214 2
1 412 . 1 1 A 40 40 MET HA H 40 3.599 4.165 -0.566 2
1 420 . 1 1 A 40 40 MET C C 40 179.813 178.356 1.457 2
1 421 . 1 1 A 40 40 MET CA C 40 59.533 58.624 0.909 2
1 422 . 1 1 A 40 40 MET CB C 40 35.410 32.966 2.444 2
1 425 . 1 1 A 40 40 MET N N 40 117.312 118.883 -1.571 2
1 426 . 1 1 A 41 41 ALA H H 41 8.689 7.941 0.748 2
1 427 . 1 1 A 41 41 ALA HA H 41 4.102 4.352 -0.250 2
1 431 . 1 1 A 41 41 ALA C C 41 179.610 179.030 0.580 2
1 432 . 1 1 A 41 41 ALA CA C 41 55.866 54.938 0.928 2
1 433 . 1 1 A 41 41 ALA CB C 41 18.609 18.488 0.120 2
1 434 . 1 1 A 41 41 ALA N N 41 128.620 121.504 7.116 2
1 435 . 1 1 A 42 42 ASP H H 42 8.324 7.213 1.111 2
1 436 . 1 1 A 42 42 ASP HA H 42 4.306 4.575 -0.269 2
1 439 . 1 1 A 42 42 ASP C C 42 179.003 178.491 0.512 2
1 440 . 1 1 A 42 42 ASP CA C 42 57.241 56.330 0.911 2
1 441 . 1 1 A 42 42 ASP CB C 42 40.319 41.431 -1.112 2
1 442 . 1 1 A 42 42 ASP N N 42 120.159 118.022 2.137 2
1 443 . 1 1 A 43 43 LYS H H 43 8.036 7.777 0.259 2
1 444 . 1 1 A 43 43 LYS HA H 43 4.155 4.040 0.115 2
1 452 . 1 1 A 43 43 LYS C C 43 178.105 178.306 -0.201 2
1 453 . 1 1 A 43 43 LYS CA C 43 58.580 59.067 -0.487 2
1 454 . 1 1 A 43 43 LYS CB C 43 33.893 32.302 1.591 2
1 458 . 1 1 A 43 43 LYS N N 43 116.586 119.114 -2.528 2
1 459 . 1 1 A 44 44 SER H H 44 8.314 8.172 0.142 2
1 460 . 1 1 A 44 44 SER HA H 44 4.486 4.557 -0.071 2
1 463 . 1 1 A 44 44 SER C C 44 175.458 175.467 -0.009 2
1 464 . 1 1 A 44 44 SER CA C 44 59.955 58.751 1.204 2
1 465 . 1 1 A 44 44 SER CB C 44 66.025 65.070 0.955 2
1 466 . 1 1 A 44 44 SER N N 44 111.140 110.579 0.561 2
1 467 . 1 1 A 45 45 GLY H H 45 8.249 8.035 0.214 2
1 468 . 1 1 A 45 45 GLY HA2 H 45 3.872 4.005 -0.133 2
1 469 . 1 1 A 45 45 GLY HA3 H 45 4.233 4.007 0.226 2
1 470 . 1 1 A 45 45 GLY C C 45 174.317 174.145 0.172 2
1 471 . 1 1 A 45 45 GLY CA C 45 45.889 44.880 1.009 2
1 472 . 1 1 A 45 45 GLY N N 45 112.770 110.653 2.117 2
1 473 . 1 1 A 46 46 LEU H H 46 7.800 7.569 0.231 2
1 474 . 1 1 A 46 46 LEU HA H 46 4.685 4.548 0.137 2
1 484 . 1 1 A 46 46 LEU C C 46 174.366 174.691 -0.325 2
1 485 . 1 1 A 46 46 LEU CA C 46 52.235 52.479 -0.244 2
1 486 . 1 1 A 46 46 LEU CB C 46 43.285 41.575 1.710 2
1 490 . 1 1 A 46 46 LEU N N 46 121.722 122.173 -0.451 2
1 491 . 1 1 A 47 47 PRO HA H 47 4.542 4.560 -0.018 2
1 497 . 1 1 A 47 47 PRO C C 47 178.542 176.659 1.883 2
1 498 . 1 1 A 47 47 PRO CA C 47 62.000 62.376 -0.376 2
1 499 . 1 1 A 47 47 PRO CB C 47 32.731 33.310 -0.579 2
1 502 . 1 1 A 48 48 GLN H H 48 9.124 8.641 0.483 2
1 503 . 1 1 A 48 48 GLN HA H 48 3.629 4.086 -0.457 2
1 510 . 1 1 A 48 48 GLN C C 48 178.080 177.926 0.154 2
1 511 . 1 1 A 48 48 GLN CA C 48 60.872 58.291 2.581 2
1 512 . 1 1 A 48 48 GLN CB C 48 28.455 28.524 -0.069 2
1 514 . 1 1 A 48 48 GLN N N 48 123.862 120.490 3.372 2
1 516 . 1 1 A 49 49 LYS H H 49 8.912 8.053 0.859 2
1 517 . 1 1 A 49 49 LYS HA H 49 3.969 4.102 -0.133 2
1 524 . 1 1 A 49 49 LYS C C 49 178.954 179.015 -0.061 2
1 525 . 1 1 A 49 49 LYS CA C 49 59.955 59.211 0.744 2
1 526 . 1 1 A 49 49 LYS CB C 49 32.327 32.145 0.182 2
1 530 . 1 1 A 49 49 LYS N N 49 116.406 118.640 -2.234 2
1 531 . 1 1 A 50 50 VAL H H 50 6.874 7.844 -0.970 2
1 532 . 1 1 A 50 50 VAL HA H 50 3.835 3.654 0.181 2
1 540 . 1 1 A 50 50 VAL C C 50 178.299 178.276 0.023 2
1 541 . 1 1 A 50 50 VAL CA C 50 65.560 66.251 -0.691 2
1 542 . 1 1 A 50 50 VAL CB C 50 32.080 31.633 0.447 2
1 545 . 1 1 A 50 50 VAL N N 50 119.065 120.252 -1.187 2
1 546 . 1 1 A 51 51 ILE H H 51 7.503 8.014 -0.511 2
1 547 . 1 1 A 51 51 ILE HA H 51 3.672 3.676 -0.004 2
1 557 . 1 1 A 51 51 ILE C C 51 178.007 178.230 -0.223 2
1 558 . 1 1 A 51 51 ILE CA C 51 66.019 65.665 0.354 2
1 559 . 1 1 A 51 51 ILE CB C 51 38.081 37.841 0.240 2
1 563 . 1 1 A 51 51 ILE N N 51 121.254 120.534 0.720 2
1 564 . 1 1 A 52 52 LYS H H 52 8.596 7.943 0.653 2
1 565 . 1 1 A 52 52 LYS HA H 52 3.984 4.112 -0.128 2
1 572 . 1 1 A 52 52 LYS C C 52 179.302 179.407 -0.105 2
1 573 . 1 1 A 52 52 LYS CA C 52 60.978 59.575 1.403 2
1 574 . 1 1 A 52 52 LYS CB C 52 32.574 32.440 0.134 2
1 578 . 1 1 A 52 52 LYS N N 52 118.531 119.667 -1.136 2
1 579 . 1 1 A 53 53 HIS H H 53 7.952 8.157 -0.205 2
1 580 . 1 1 A 53 53 HIS HA H 53 4.324 4.366 -0.042 2
1 585 . 1 1 A 53 53 HIS C C 53 177.085 177.534 -0.449 2
1 586 . 1 1 A 53 53 HIS CA C 53 60.026 59.132 0.894 2
1 587 . 1 1 A 53 53 HIS CB C 53 30.867 30.318 0.549 2
1 590 . 1 1 A 53 53 HIS N N 53 118.728 118.799 -0.071 2
1 591 . 1 1 A 54 54 TRP H H 54 8.614 8.473 0.141 2
1 592 . 1 1 A 54 54 TRP HA H 54 4.048 4.301 -0.253 2
1 601 . 1 1 A 54 54 TRP C C 54 180.144 178.414 1.730 2
1 602 . 1 1 A 54 54 TRP CA C 54 62.916 61.104 1.812 2
1 603 . 1 1 A 54 54 TRP CB C 54 28.766 29.629 -0.863 2
1 609 . 1 1 A 54 54 TRP N N 54 121.845 121.384 0.461 2
1 611 . 1 1 A 55 55 PHE H H 55 9.035 8.525 0.510 2
1 612 . 1 1 A 55 55 PHE HA H 55 3.786 4.095 -0.309 2
1 620 . 1 1 A 55 55 PHE C C 55 178.129 178.068 0.061 2
1 621 . 1 1 A 55 55 PHE CA C 55 63.617 62.449 1.168 2
1 622 . 1 1 A 55 55 PHE CB C 55 39.260 38.716 0.544 2
1 628 . 1 1 A 55 55 PHE N N 55 120.180 118.030 2.150 2
1 629 . 1 1 A 56 56 ARG H H 56 7.962 8.382 -0.420 2
1 630 . 1 1 A 56 56 ARG HA H 56 4.095 4.018 0.077 2
1 636 . 1 1 A 56 56 ARG C C 56 178.444 178.341 0.102 2
1 637 . 1 1 A 56 56 ARG CA C 56 59.356 59.624 -0.268 2
1 638 . 1 1 A 56 56 ARG CB C 56 30.087 29.777 0.310 2
1 641 . 1 1 A 56 56 ARG N N 56 118.370 120.642 -2.272 2
1 642 . 1 1 A 57 57 ASN H H 57 8.194 8.433 -0.239 2
1 643 . 1 1 A 57 57 ASN HA H 57 4.401 4.337 0.064 2
1 648 . 1 1 A 57 57 ASN C C 57 176.866 177.776 -0.910 2
1 649 . 1 1 A 57 57 ASN CA C 57 55.497 56.173 -0.676 2
1 650 . 1 1 A 57 57 ASN CB C 57 38.640 38.777 -0.137 2
1 651 . 1 1 A 57 57 ASN N N 57 117.190 117.759 -0.569 2
1 653 . 1 1 A 58 58 THR H H 58 7.999 7.647 0.352 2
1 654 . 1 1 A 58 58 THR HA H 58 3.426 3.725 -0.299 2
1 659 . 1 1 A 58 58 THR C C 58 175.361 176.015 -0.654 2
1 660 . 1 1 A 58 58 THR CA C 58 65.801 66.510 -0.709 2
1 661 . 1 1 A 58 58 THR CB C 58 68.064 68.018 0.046 2
1 663 . 1 1 A 58 58 THR N N 58 117.859 115.360 2.499 2
1 664 . 1 1 A 59 59 LEU H H 59 7.950 8.395 -0.445 2
1 665 . 1 1 A 59 59 LEU HA H 59 4.127 4.202 -0.075 2
1 674 . 1 1 A 59 59 LEU C C 59 177.886 178.758 -0.872 2
1 675 . 1 1 A 59 59 LEU CA C 59 57.628 58.621 -0.993 2
1 676 . 1 1 A 59 59 LEU CB C 59 42.296 42.079 0.217 2
1 680 . 1 1 A 59 59 LEU N N 59 122.280 121.539 0.741 2
1 681 . 1 1 A 60 60 PHE H H 60 7.797 8.828 -1.031 2
1 682 . 1 1 A 60 60 PHE HA H 60 4.309 4.013 0.296 2
1 690 . 1 1 A 60 60 PHE C C 60 177.085 177.348 -0.263 2
1 691 . 1 1 A 60 60 PHE CA C 60 59.920 61.795 -1.875 2
1 692 . 1 1 A 60 60 PHE CB C 60 38.918 39.399 -0.481 2
1 698 . 1 1 A 60 60 PHE N N 60 118.008 119.681 -1.673 2
1 699 . 1 1 A 61 61 LYS H H 61 7.839 8.071 -0.232 2
1 700 . 1 1 A 61 61 LYS HA H 61 4.007 4.036 -0.029 2
1 707 . 1 1 A 61 61 LYS C C 61 178.032 179.172 -1.140 2
1 708 . 1 1 A 61 61 LYS CA C 61 58.016 59.592 -1.576 2
1 709 . 1 1 A 61 61 LYS CB C 61 32.657 32.182 0.475 2
1 713 . 1 1 A 61 61 LYS N N 61 119.447 118.423 1.024 2
1 714 . 1 1 A 62 62 GLU H H 62 8.139 8.399 -0.260 2
1 715 . 1 1 A 62 62 GLU HA H 62 4.146 4.071 0.075 2
1 720 . 1 1 A 62 62 GLU C C 62 177.595 179.253 -1.658 2
1 721 . 1 1 A 62 62 GLU CA C 62 57.699 59.276 -1.577 2
1 722 . 1 1 A 62 62 GLU CB C 62 29.608 29.375 0.233 2
1 724 . 1 1 A 62 62 GLU N N 62 119.302 119.251 0.051 2
1 725 . 1 1 A 63 63 ARG H H 63 8.015 7.862 0.153 2
1 726 . 1 1 A 63 63 ARG HA H 63 4.258 4.153 0.105 2
1 732 . 1 1 A 63 63 ARG C C 63 176.769 177.480 -0.711 2
1 733 . 1 1 A 63 63 ARG CA C 63 56.677 58.921 -2.244 2
1 734 . 1 1 A 63 63 ARG CB C 63 30.514 30.140 0.374 2
1 737 . 1 1 A 63 63 ARG N N 63 119.598 119.329 0.269 2
1 738 . 1 1 A 64 64 GLN H H 64 8.058 7.729 0.329 2
1 739 . 1 1 A 64 64 GLN HA H 64 4.242 4.270 -0.028 2
1 745 . 1 1 A 64 64 GLN C C 64 176.114 175.801 0.313 2
1 746 . 1 1 A 64 64 GLN CA C 64 56.148 56.863 -0.715 2
1 747 . 1 1 A 64 64 GLN CB C 64 29.258 29.032 0.226 2
1 749 . 1 1 A 64 64 GLN N N 64 120.027 117.806 2.221 2
1 751 . 1 1 A 65 65 SER H H 65 8.172 8.266 -0.094 2
1 752 . 1 1 A 65 65 SER HA H 65 4.457 4.747 -0.290 2
1 755 . 1 1 A 65 65 SER C C 65 174.487 173.965 0.522 2
1 756 . 1 1 A 65 65 SER CA C 65 58.404 58.083 0.321 2
1 757 . 1 1 A 65 65 SER CB C 65 63.965 64.704 -0.739 2
1 758 . 1 1 A 65 65 SER N N 65 116.070 115.563 0.507 2
1 759 . 1 1 A 66 66 GLY H H 66 8.170 8.414 -0.244 2
1 760 . 1 1 A 66 66 GLY HA2 H 66 4.141 4.173 -0.032 2
1 761 . 1 1 A 66 66 GLY HA3 H 66 4.082 4.174 -0.092 2
1 762 . 1 1 A 66 66 GLY C C 66 171.768 173.480 -1.712 2
1 763 . 1 1 A 66 66 GLY CA C 66 44.620 44.906 -0.286 2
1 764 . 1 1 A 66 66 GLY N N 66 110.579 111.505 -0.926 2
1 765 . 1 1 A 67 67 PRO HA H 67 4.453 4.549 -0.096 2
1 770 . 1 1 A 67 67 PRO C C 67 177.400 176.538 0.862 2
1 771 . 1 1 A 67 67 PRO CA C 67 63.198 63.358 -0.160 2
1 772 . 1 1 A 67 67 PRO CB C 67 32.171 31.766 0.405 2
1 775 . 1 1 A 68 68 SER H H 68 8.525 8.223 0.302 2
1 776 . 1 1 A 68 68 SER HA H 68 4.490 4.536 -0.046 2
1 779 . 1 1 A 68 68 SER C C 68 174.657 174.212 0.445 2
1 780 . 1 1 A 68 68 SER CA C 68 58.589 58.509 0.080 2
1 781 . 1 1 A 68 68 SER CB C 68 63.800 63.795 0.005 2
1 782 . 1 1 A 68 68 SER N N 68 116.415 115.861 0.554 2
1 783 . 1 1 A 69 69 SER H H 69 8.316 8.551 -0.235 2
1 784 . 1 1 A 69 69 SER HA H 69 4.467 4.620 -0.153 2
1 787 . 1 1 A 69 69 SER C C 69 173.953 174.443 -0.490 2
1 788 . 1 1 A 69 69 SER CA C 69 58.369 58.737 -0.368 2
1 789 . 1 1 A 69 69 SER CB C 69 64.047 64.389 -0.342 2
1 790 . 1 1 A 69 69 SER N N 69 117.832 118.721 -0.889 2
stop_
save_