data_15476_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15476
_Entry.PDB_ID 2JVD
_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 9 . 1 1 1 A 2 2 ILE HA H 2 4.350 4.963 -0.613 1
1 19 . 1 1 1 A 2 2 ILE C C 2 174.508 173.002 1.506 1
1 20 . 1 1 1 A 2 2 ILE CA C 2 61.095 59.368 1.727 1
1 21 . 1 1 1 A 2 2 ILE CB C 2 39.193 42.370 -3.177 1
1 25 . 1 1 1 A 3 3 SER H H 3 8.112 8.757 -0.645 1
1 26 . 1 1 1 A 3 3 SER HA H 3 4.414 4.908 -0.494 1
1 29 . 1 1 1 A 3 3 SER C C 3 174.652 175.629 -0.977 1
1 30 . 1 1 1 A 3 3 SER CA C 3 57.714 55.924 1.790 1
1 31 . 1 1 1 A 3 3 SER CB C 3 64.725 66.029 -1.304 1
1 32 . 1 1 1 A 3 3 SER N N 3 119.280 123.210 -3.930 1
1 33 . 1 1 1 A 4 4 ASN H H 4 8.832 9.178 -0.346 1
1 34 . 1 1 1 A 4 4 ASN HA H 4 4.511 4.495 0.016 1
1 39 . 1 1 1 A 4 4 ASN C C 4 177.606 177.802 -0.196 1
1 40 . 1 1 1 A 4 4 ASN CA C 4 55.617 55.941 -0.324 1
1 41 . 1 1 1 A 4 4 ASN CB C 4 37.972 37.465 0.507 1
1 43 . 1 1 1 A 4 4 ASN N N 4 120.760 123.035 -2.275 1
1 45 . 1 1 1 A 5 5 ALA H H 5 8.504 8.146 0.358 1
1 46 . 1 1 1 A 5 5 ALA HA H 5 4.191 4.054 0.137 1
1 50 . 1 1 1 A 5 5 ALA C C 5 180.504 179.673 0.831 1
1 51 . 1 1 1 A 5 5 ALA CA C 5 54.896 55.051 -0.155 1
1 52 . 1 1 1 A 5 5 ALA CB C 5 18.468 18.530 -0.062 1
1 53 . 1 1 1 A 5 5 ALA N N 5 123.401 121.508 1.893 1
1 54 . 1 1 1 A 6 6 LYS H H 6 7.844 7.714 0.130 1
1 55 . 1 1 1 A 6 6 LYS HA H 6 4.119 4.121 -0.002 1
1 64 . 1 1 1 A 6 6 LYS C C 6 178.320 179.150 -0.830 1
1 65 . 1 1 1 A 6 6 LYS CA C 6 59.550 58.883 0.667 1
1 66 . 1 1 1 A 6 6 LYS CB C 6 32.639 32.255 0.384 1
1 70 . 1 1 1 A 6 6 LYS N N 6 119.908 117.460 2.448 1
1 71 . 1 1 1 A 7 7 ILE H H 7 7.887 8.256 -0.369 1
1 72 . 1 1 1 A 7 7 ILE HA H 7 3.615 3.583 0.032 1
1 82 . 1 1 1 A 7 7 ILE C C 7 177.784 177.563 0.221 1
1 83 . 1 1 1 A 7 7 ILE CA C 7 64.351 65.994 -1.643 1
1 84 . 1 1 1 A 7 7 ILE CB C 7 37.623 38.147 -0.524 1
1 88 . 1 1 1 A 7 7 ILE N N 7 120.487 120.853 -0.366 1
1 89 . 1 1 1 A 8 8 ALA H H 8 8.062 8.507 -0.445 1
1 90 . 1 1 1 A 8 8 ALA HA H 8 4.160 3.920 0.240 1
1 94 . 1 1 1 A 8 8 ALA C C 8 180.625 179.017 1.608 1
1 95 . 1 1 1 A 8 8 ALA CA C 8 55.102 55.548 -0.446 1
1 96 . 1 1 1 A 8 8 ALA CB C 8 17.517 18.516 -0.999 1
1 97 . 1 1 1 A 8 8 ALA N N 8 121.576 121.873 -0.297 1
1 98 . 1 1 1 A 9 9 ARG H H 9 7.769 7.612 0.157 1
1 99 . 1 1 1 A 9 9 ARG HA H 9 4.226 4.019 0.207 1
1 107 . 1 1 1 A 9 9 ARG C C 9 178.076 178.904 -0.828 1
1 108 . 1 1 1 A 9 9 ARG CA C 9 57.517 58.980 -1.463 1
1 109 . 1 1 1 A 9 9 ARG CB C 9 29.638 29.879 -0.241 1
1 112 . 1 1 1 A 9 9 ARG N N 9 120.694 118.133 2.561 1
1 114 . 1 1 1 A 10 10 ILE H H 10 8.462 8.323 0.139 1
1 115 . 1 1 1 A 10 10 ILE HA H 10 3.576 3.495 0.081 1
1 125 . 1 1 1 A 10 10 ILE C C 10 179.221 177.736 1.485 1
1 126 . 1 1 1 A 10 10 ILE CA C 10 66.414 65.680 0.734 1
1 127 . 1 1 1 A 10 10 ILE CB C 10 37.872 38.060 -0.188 1
1 131 . 1 1 1 A 10 10 ILE N N 10 121.475 119.833 1.642 1
1 132 . 1 1 1 A 11 11 ASN H H 11 8.161 8.352 -0.191 1
1 133 . 1 1 1 A 11 11 ASN HA H 11 4.485 4.457 0.028 1
1 138 . 1 1 1 A 11 11 ASN C C 11 178.124 177.807 0.317 1
1 139 . 1 1 1 A 11 11 ASN CA C 11 55.961 56.525 -0.564 1
1 140 . 1 1 1 A 11 11 ASN CB C 11 37.642 37.736 -0.094 1
1 142 . 1 1 1 A 11 11 ASN N N 11 119.357 117.718 1.639 1
1 144 . 1 1 1 A 12 12 GLU H H 12 8.528 8.455 0.073 1
1 145 . 1 1 1 A 12 12 GLU HA H 12 4.111 4.044 0.067 1
1 150 . 1 1 1 A 12 12 GLU C C 12 179.650 179.116 0.534 1
1 151 . 1 1 1 A 12 12 GLU CA C 12 59.252 59.089 0.163 1
1 152 . 1 1 1 A 12 12 GLU CB C 12 30.026 29.446 0.580 1
1 154 . 1 1 1 A 12 12 GLU N N 12 124.689 119.594 5.095 1
1 155 . 1 1 1 A 13 13 LEU H H 13 8.669 8.233 0.436 1
1 156 . 1 1 1 A 13 13 LEU HA H 13 3.948 3.917 0.031 1
1 166 . 1 1 1 A 13 13 LEU C C 13 178.491 178.704 -0.213 1
1 167 . 1 1 1 A 13 13 LEU CA C 13 57.835 57.836 -0.001 1
1 168 . 1 1 1 A 13 13 LEU CB C 13 41.160 41.574 -0.414 1
1 172 . 1 1 1 A 13 13 LEU N N 13 119.467 120.111 -0.644 1
1 173 . 1 1 1 A 14 14 ALA H H 14 8.326 8.565 -0.239 1
1 174 . 1 1 1 A 14 14 ALA HA H 14 4.076 3.911 0.165 1
1 178 . 1 1 1 A 14 14 ALA C C 14 180.903 179.410 1.493 1
1 179 . 1 1 1 A 14 14 ALA CA C 14 55.100 55.687 -0.587 1
1 180 . 1 1 1 A 14 14 ALA CB C 14 17.838 17.838 0.000 1
1 181 . 1 1 1 A 14 14 ALA N N 14 122.290 121.824 0.466 1
1 182 . 1 1 1 A 15 15 ALA H H 15 7.794 7.955 -0.161 1
1 183 . 1 1 1 A 15 15 ALA HA H 15 4.176 4.034 0.142 1
1 187 . 1 1 1 A 15 15 ALA C C 15 181.255 179.772 1.483 1
1 188 . 1 1 1 A 15 15 ALA CA C 15 55.196 54.945 0.251 1
1 189 . 1 1 1 A 15 15 ALA CB C 15 17.568 18.362 -0.794 1
1 190 . 1 1 1 A 15 15 ALA N N 15 121.829 119.932 1.897 1
1 191 . 1 1 1 A 16 16 LYS H H 16 7.977 8.042 -0.065 1
1 192 . 1 1 1 A 16 16 LYS HA H 16 4.026 4.026 0.000 1
1 201 . 1 1 1 A 16 16 LYS C C 16 179.086 179.028 0.058 1
1 202 . 1 1 1 A 16 16 LYS CA C 16 59.878 59.722 0.156 1
1 203 . 1 1 1 A 16 16 LYS CB C 16 32.727 32.126 0.601 1
1 207 . 1 1 1 A 16 16 LYS N N 16 120.084 116.780 3.304 1
1 208 . 1 1 1 A 17 17 ALA H H 17 8.527 8.266 0.261 1
1 209 . 1 1 1 A 17 17 ALA HA H 17 4.026 4.009 0.017 1
1 213 . 1 1 1 A 17 17 ALA C C 17 181.147 179.624 1.523 1
1 214 . 1 1 1 A 17 17 ALA CA C 17 54.993 55.337 -0.344 1
1 215 . 1 1 1 A 17 17 ALA CB C 17 17.858 18.245 -0.387 1
1 216 . 1 1 1 A 17 17 ALA N N 17 123.164 122.480 0.684 1
1 217 . 1 1 1 A 18 18 LYS H H 18 8.125 8.337 -0.212 1
1 218 . 1 1 1 A 18 18 LYS HA H 18 4.053 4.082 -0.029 1
1 227 . 1 1 1 A 18 18 LYS C C 18 177.994 178.554 -0.560 1
1 228 . 1 1 1 A 18 18 LYS CA C 18 58.961 58.984 -0.023 1
1 229 . 1 1 1 A 18 18 LYS CB C 18 32.400 32.178 0.222 1
1 233 . 1 1 1 A 18 18 LYS N N 18 120.927 116.862 4.065 1
1 234 . 1 1 1 A 19 19 ALA H H 19 7.659 7.557 0.102 1
1 235 . 1 1 1 A 19 19 ALA HA H 19 4.355 4.268 0.087 1
1 239 . 1 1 1 A 19 19 ALA C C 19 177.769 177.697 0.072 1
1 240 . 1 1 1 A 19 19 ALA CA C 19 52.453 52.699 -0.246 1
1 241 . 1 1 1 A 19 19 ALA CB C 19 19.483 19.763 -0.280 1
1 242 . 1 1 1 A 19 19 ALA N N 19 118.300 118.816 -0.516 1
1 243 . 1 1 1 A 20 20 GLY H H 20 7.758 8.224 -0.466 1
1 244 . 1 1 1 A 20 20 GLY HA2 H 20 4.180 3.980 0.200 1
1 245 . 1 1 1 A 20 20 GLY HA3 H 20 3.947 3.981 -0.034 1
1 246 . 1 1 1 A 20 20 GLY C C 20 175.031 174.844 0.187 1
1 247 . 1 1 1 A 20 20 GLY CA C 20 45.907 45.131 0.776 1
1 248 . 1 1 1 A 20 20 GLY N N 20 105.949 106.744 -0.795 1
1 249 . 1 1 1 A 21 21 VAL H H 21 7.678 7.585 0.093 1
1 250 . 1 1 1 A 21 21 VAL HA H 21 4.608 4.237 0.371 1
1 258 . 1 1 1 A 21 21 VAL C C 21 175.837 175.389 0.448 1
1 259 . 1 1 1 A 21 21 VAL CA C 21 60.158 61.942 -1.784 1
1 260 . 1 1 1 A 21 21 VAL CB C 21 32.525 31.916 0.609 1
1 263 . 1 1 1 A 21 21 VAL N N 21 109.739 117.162 -7.423 1
1 264 . 1 1 1 A 22 22 ILE H H 22 6.842 7.486 -0.644 1
1 265 . 1 1 1 A 22 22 ILE HA H 22 4.347 4.293 0.054 1
1 275 . 1 1 1 A 22 22 ILE C C 22 174.145 175.434 -1.289 1
1 276 . 1 1 1 A 22 22 ILE CA C 22 61.285 60.856 0.429 1
1 277 . 1 1 1 A 22 22 ILE CB C 22 40.142 39.386 0.756 1
1 281 . 1 1 1 A 22 22 ILE N N 22 124.020 124.552 -0.532 1
1 282 . 1 1 1 A 23 23 THR H H 23 9.104 8.562 0.542 1
1 283 . 1 1 1 A 23 23 THR HA H 23 4.597 4.738 -0.141 1
1 288 . 1 1 1 A 23 23 THR C C 23 175.820 175.941 -0.121 1
1 289 . 1 1 1 A 23 23 THR CA C 23 61.139 60.626 0.513 1
1 290 . 1 1 1 A 23 23 THR CB C 23 71.396 71.381 0.015 1
1 292 . 1 1 1 A 23 23 THR N N 23 120.184 118.253 1.931 1
1 293 . 1 1 1 A 24 24 GLU H H 24 9.011 9.014 -0.003 1
1 294 . 1 1 1 A 24 24 GLU HA H 24 3.965 3.986 -0.021 1
1 299 . 1 1 1 A 24 24 GLU C C 24 180.012 178.965 1.047 1
1 300 . 1 1 1 A 24 24 GLU CA C 24 60.049 59.958 0.091 1
1 301 . 1 1 1 A 24 24 GLU CB C 24 29.095 29.248 -0.153 1
1 303 . 1 1 1 A 24 24 GLU N N 24 120.289 121.552 -1.263 1
1 304 . 1 1 1 A 25 25 GLU H H 25 8.917 8.165 0.752 1
1 305 . 1 1 1 A 25 25 GLU HA H 25 4.116 4.053 0.063 1
1 310 . 1 1 1 A 25 25 GLU C C 25 180.164 178.869 1.295 1
1 311 . 1 1 1 A 25 25 GLU CA C 25 60.042 59.502 0.540 1
1 312 . 1 1 1 A 25 25 GLU CB C 25 29.131 29.053 0.078 1
1 314 . 1 1 1 A 25 25 GLU N N 25 120.676 119.898 0.778 1
1 315 . 1 1 1 A 26 26 GLU H H 26 7.837 7.734 0.103 1
1 316 . 1 1 1 A 26 26 GLU HA H 26 4.074 4.051 0.023 1
1 321 . 1 1 1 A 26 26 GLU C C 26 179.093 179.196 -0.103 1
1 322 . 1 1 1 A 26 26 GLU CA C 26 58.684 59.134 -0.450 1
1 323 . 1 1 1 A 26 26 GLU CB C 26 30.606 29.638 0.968 1
1 325 . 1 1 1 A 26 26 GLU N N 26 121.997 118.778 3.219 1
1 326 . 1 1 1 A 27 27 LYS H H 27 8.659 8.167 0.492 1
1 327 . 1 1 1 A 27 27 LYS HA H 27 3.964 3.988 -0.024 1
1 336 . 1 1 1 A 27 27 LYS C C 27 179.776 178.735 1.041 1
1 337 . 1 1 1 A 27 27 LYS CA C 27 60.129 59.486 0.643 1
1 338 . 1 1 1 A 27 27 LYS CB C 27 32.537 32.328 0.209 1
1 342 . 1 1 1 A 27 27 LYS N N 27 121.367 119.489 1.878 1
1 343 . 1 1 1 A 28 28 ALA H H 28 7.648 8.260 -0.612 1
1 344 . 1 1 1 A 28 28 ALA HA H 28 4.216 4.104 0.112 1
1 348 . 1 1 1 A 28 28 ALA C C 28 180.525 179.090 1.435 1
1 349 . 1 1 1 A 28 28 ALA CA C 28 55.014 55.148 -0.134 1
1 350 . 1 1 1 A 28 28 ALA CB C 28 17.610 18.344 -0.734 1
1 351 . 1 1 1 A 28 28 ALA N N 28 122.685 122.008 0.677 1
1 352 . 1 1 1 A 29 29 GLU H H 29 7.915 8.011 -0.096 1
1 353 . 1 1 1 A 29 29 GLU HA H 29 3.971 4.065 -0.094 1
1 358 . 1 1 1 A 29 29 GLU C C 29 178.193 178.510 -0.317 1
1 359 . 1 1 1 A 29 29 GLU CA C 29 59.269 59.380 -0.111 1
1 360 . 1 1 1 A 29 29 GLU CB C 29 29.467 29.233 0.234 1
1 362 . 1 1 1 A 29 29 GLU N N 29 122.691 118.330 4.361 1
1 363 . 1 1 1 A 30 30 GLN H H 30 8.891 8.396 0.495 1
1 364 . 1 1 1 A 30 30 GLN HA H 30 3.805 3.959 -0.154 1
1 371 . 1 1 1 A 30 30 GLN C C 30 177.828 178.427 -0.599 1
1 372 . 1 1 1 A 30 30 GLN CA C 30 59.703 58.888 0.815 1
1 373 . 1 1 1 A 30 30 GLN CB C 30 29.404 28.698 0.706 1
1 376 . 1 1 1 A 30 30 GLN N N 30 119.325 118.692 0.633 1
1 378 . 1 1 1 A 31 31 GLN H H 31 7.874 8.145 -0.271 1
1 379 . 1 1 1 A 31 31 GLN HA H 31 4.085 3.967 0.118 1
1 386 . 1 1 1 A 31 31 GLN C C 31 178.371 178.359 0.012 1
1 387 . 1 1 1 A 31 31 GLN CA C 31 58.842 59.002 -0.160 1
1 388 . 1 1 1 A 31 31 GLN CB C 31 28.283 28.211 0.072 1
1 391 . 1 1 1 A 31 31 GLN N N 31 118.010 118.097 -0.087 1
1 393 . 1 1 1 A 32 32 LYS H H 32 7.739 7.563 0.176 1
1 394 . 1 1 1 A 32 32 LYS HA H 32 4.096 4.102 -0.006 1
1 403 . 1 1 1 A 32 32 LYS C C 32 179.952 179.004 0.948 1
1 404 . 1 1 1 A 32 32 LYS CA C 32 59.708 59.382 0.326 1
1 405 . 1 1 1 A 32 32 LYS CB C 32 32.403 31.988 0.415 1
1 409 . 1 1 1 A 32 32 LYS N N 32 120.842 121.151 -0.309 1
1 410 . 1 1 1 A 33 33 LEU H H 33 8.617 8.667 -0.050 1
1 411 . 1 1 1 A 33 33 LEU HA H 33 4.153 3.980 0.173 1
1 421 . 1 1 1 A 33 33 LEU C C 33 179.446 179.372 0.074 1
1 422 . 1 1 1 A 33 33 LEU CA C 33 57.774 58.037 -0.263 1
1 423 . 1 1 1 A 33 33 LEU CB C 33 42.585 41.634 0.951 1
1 427 . 1 1 1 A 33 33 LEU N N 33 120.088 119.628 0.460 1
1 428 . 1 1 1 A 34 34 ARG H H 34 8.413 8.426 -0.013 1
1 429 . 1 1 1 A 34 34 ARG HA H 34 4.009 3.907 0.102 1
1 436 . 1 1 1 A 34 34 ARG C C 34 178.614 178.922 -0.308 1
1 437 . 1 1 1 A 34 34 ARG CA C 34 59.839 59.683 0.156 1
1 438 . 1 1 1 A 34 34 ARG CB C 34 29.772 29.831 -0.059 1
1 441 . 1 1 1 A 34 34 ARG N N 34 119.206 119.274 -0.068 1
1 442 . 1 1 1 A 35 35 GLN H H 35 7.850 7.619 0.231 1
1 443 . 1 1 1 A 35 35 GLN HA H 35 4.085 4.187 -0.102 1
1 450 . 1 1 1 A 35 35 GLN C C 35 178.621 179.054 -0.433 1
1 451 . 1 1 1 A 35 35 GLN CA C 35 58.771 58.710 0.061 1
1 452 . 1 1 1 A 35 35 GLN CB C 35 28.331 28.502 -0.171 1
1 455 . 1 1 1 A 35 35 GLN N N 35 117.434 118.928 -1.494 1
1 457 . 1 1 1 A 36 36 GLU H H 36 7.939 8.311 -0.372 1
1 458 . 1 1 1 A 36 36 GLU HA H 36 4.015 4.053 -0.038 1
1 463 . 1 1 1 A 36 36 GLU C C 36 178.975 178.757 0.218 1
1 464 . 1 1 1 A 36 36 GLU CA C 36 59.271 59.094 0.177 1
1 465 . 1 1 1 A 36 36 GLU CB C 36 29.750 29.301 0.449 1
1 467 . 1 1 1 A 36 36 GLU N N 36 119.554 120.963 -1.409 1
1 468 . 1 1 1 A 37 37 TYR H H 37 8.578 8.213 0.365 1
1 469 . 1 1 1 A 37 37 TYR HA H 37 4.164 4.216 -0.052 1
1 476 . 1 1 1 A 37 37 TYR C C 37 177.550 177.269 0.281 1
1 477 . 1 1 1 A 37 37 TYR CA C 37 60.590 61.250 -0.660 1
1 478 . 1 1 1 A 37 37 TYR CB C 37 38.709 38.380 0.329 1
1 483 . 1 1 1 A 37 37 TYR N N 37 120.782 122.912 -2.130 1
1 484 . 1 1 1 A 38 38 LEU H H 38 8.229 8.224 0.005 1
1 485 . 1 1 1 A 38 38 LEU HA H 38 4.072 4.379 -0.307 1
1 495 . 1 1 1 A 38 38 LEU C C 38 178.983 177.321 1.662 1
1 496 . 1 1 1 A 38 38 LEU CA C 38 57.053 56.554 0.499 1
1 497 . 1 1 1 A 38 38 LEU CB C 38 42.020 41.514 0.506 1
1 501 . 1 1 1 A 38 38 LEU N N 38 119.275 119.581 -0.306 1
1 502 . 1 1 1 A 39 39 LYS H H 39 7.790 7.160 0.630 1
1 503 . 1 1 1 A 39 39 LYS HA H 39 4.152 4.130 0.022 1
1 512 . 1 1 1 A 39 39 LYS C C 39 178.123 177.411 0.712 1
1 513 . 1 1 1 A 39 39 LYS CA C 39 58.197 58.436 -0.239 1
1 514 . 1 1 1 A 39 39 LYS CB C 39 32.466 32.267 0.199 1
1 518 . 1 1 1 A 39 39 LYS N N 39 118.917 120.505 -1.588 1
1 519 . 1 1 1 A 40 40 GLY H H 40 7.885 8.961 -1.076 1
1 520 . 1 1 1 A 40 40 GLY HA2 H 40 3.970 3.942 0.028 1
1 521 . 1 1 1 A 40 40 GLY HA3 H 40 3.768 3.943 -0.175 1
1 522 . 1 1 1 A 40 40 GLY C C 40 174.349 174.192 0.157 1
1 523 . 1 1 1 A 40 40 GLY CA C 40 45.758 45.402 0.356 1
1 524 . 1 1 1 A 40 40 GLY N N 40 106.796 112.615 -5.819 1
1 525 . 1 1 1 A 41 41 PHE H H 41 7.859 8.062 -0.203 1
1 526 . 1 1 1 A 41 41 PHE HA H 41 4.455 4.403 0.052 1
1 534 . 1 1 1 A 41 41 PHE C C 41 176.028 174.746 1.282 1
1 535 . 1 1 1 A 41 41 PHE CA C 41 58.735 57.563 1.172 1
1 536 . 1 1 1 A 41 41 PHE CB C 41 39.408 39.377 0.031 1
1 542 . 1 1 1 A 41 41 PHE N N 41 120.317 121.737 -1.420 1
1 543 . 1 1 1 A 42 42 ARG H H 42 8.044 8.629 -0.585 1
1 544 . 1 1 1 A 42 42 ARG HA H 42 4.269 4.750 -0.481 1
1 551 . 1 1 1 A 42 42 ARG C C 42 176.487 175.576 0.911 1
1 552 . 1 1 1 A 42 42 ARG CA C 42 56.505 53.994 2.511 1
1 553 . 1 1 1 A 42 42 ARG CB C 42 30.801 32.902 -2.101 1
1 556 . 1 1 1 A 42 42 ARG N N 42 121.581 126.329 -4.748 1
1 557 . 1 1 1 A 43 43 SER H H 43 8.218 8.820 -0.602 1
1 558 . 1 1 1 A 43 43 SER HA H 43 4.389 4.282 0.107 1
1 561 . 1 1 1 A 43 43 SER C C 43 174.872 174.042 0.830 1
1 562 . 1 1 1 A 43 43 SER CA C 43 58.809 58.381 0.428 1
1 563 . 1 1 1 A 43 43 SER CB C 43 63.615 61.907 1.708 1
1 564 . 1 1 1 A 43 43 SER N N 43 116.338 119.434 -3.096 1
1 565 . 1 1 1 A 44 44 SER H H 44 8.247 8.156 0.091 1
1 566 . 1 1 1 A 44 44 SER HA H 44 4.441 3.907 0.534 1
1 569 . 1 1 1 A 44 44 SER C C 44 174.653 177.157 -2.504 1
1 570 . 1 1 1 A 44 44 SER CA C 44 58.697 61.681 -2.984 1
1 571 . 1 1 1 A 44 44 SER CB C 44 63.743 62.826 0.917 1
1 572 . 1 1 1 A 44 44 SER N N 44 117.375 122.439 -5.064 1
1 573 . 1 1 1 A 45 45 MET H H 45 8.194 8.240 -0.046 1
1 574 . 1 1 1 A 45 45 MET HA H 45 4.417 4.154 0.263 1
1 579 . 1 1 1 A 45 45 MET C C 45 176.033 176.870 -0.837 1
1 580 . 1 1 1 A 45 45 MET CA C 45 55.795 57.759 -1.964 1
1 581 . 1 1 1 A 45 45 MET CB C 45 32.840 32.089 0.751 1
1 583 . 1 1 1 A 45 45 MET N N 45 122.021 119.080 2.941 1
1 584 . 1 1 1 A 46 46 LYS H H 46 8.220 7.645 0.575 1
1 585 . 1 1 1 A 46 46 LYS HA H 46 4.276 4.550 -0.274 1
1 594 . 1 1 1 A 46 46 LYS C C 46 176.299 176.240 0.059 1
1 595 . 1 1 1 A 46 46 LYS CA C 46 56.399 56.042 0.357 1
1 596 . 1 1 1 A 46 46 LYS CB C 46 32.834 33.326 -0.492 1
1 600 . 1 1 1 A 46 46 LYS N N 46 122.277 118.237 4.040 1
1 601 . 1 1 1 A 47 47 LEU H H 47 8.210 7.903 0.307 1
1 602 . 1 1 1 A 47 47 LEU HA H 47 4.299 3.901 0.398 1
1 612 . 1 1 1 A 47 47 LEU C C 47 177.189 176.664 0.525 1
1 613 . 1 1 1 A 47 47 LEU CA C 47 55.134 56.233 -1.099 1
1 614 . 1 1 1 A 47 47 LEU CB C 47 42.301 41.840 0.461 1
1 618 . 1 1 1 A 47 47 LEU N N 47 123.549 120.762 2.787 1
1 9 . 2 1 1 A 2 2 ILE HA H 2 4.350 4.389 -0.039 1
1 19 . 2 1 1 A 2 2 ILE C C 2 174.508 175.929 -1.421 1
1 20 . 2 1 1 A 2 2 ILE CA C 2 61.095 61.981 -0.886 1
1 21 . 2 1 1 A 2 2 ILE CB C 2 39.193 38.695 0.498 1
1 25 . 2 1 1 A 3 3 SER H H 3 8.112 8.888 -0.776 1
1 26 . 2 1 1 A 3 3 SER HA H 3 4.414 4.488 -0.074 1
1 29 . 2 1 1 A 3 3 SER C C 3 174.652 175.291 -0.639 1
1 30 . 2 1 1 A 3 3 SER CA C 3 57.714 58.837 -1.123 1
1 31 . 2 1 1 A 3 3 SER CB C 3 64.725 63.864 0.861 1
1 32 . 2 1 1 A 3 3 SER N N 3 119.280 124.707 -5.427 1
1 33 . 2 1 1 A 4 4 ASN H H 4 8.832 9.021 -0.189 1
1 34 . 2 1 1 A 4 4 ASN HA H 4 4.511 4.396 0.115 1
1 39 . 2 1 1 A 4 4 ASN C C 4 177.606 177.065 0.541 1
1 40 . 2 1 1 A 4 4 ASN CA C 4 55.617 56.388 -0.771 1
1 41 . 2 1 1 A 4 4 ASN CB C 4 37.972 38.039 -0.067 1
1 43 . 2 1 1 A 4 4 ASN N N 4 120.760 123.894 -3.134 1
1 45 . 2 1 1 A 5 5 ALA H H 5 8.504 8.225 0.279 1
1 46 . 2 1 1 A 5 5 ALA HA H 5 4.191 4.058 0.133 1
1 50 . 2 1 1 A 5 5 ALA C C 5 180.504 179.929 0.575 1
1 51 . 2 1 1 A 5 5 ALA CA C 5 54.896 54.897 -0.001 1
1 52 . 2 1 1 A 5 5 ALA CB C 5 18.468 18.259 0.209 1
1 53 . 2 1 1 A 5 5 ALA N N 5 123.401 121.276 2.125 1
1 54 . 2 1 1 A 6 6 LYS H H 6 7.844 7.962 -0.118 1
1 55 . 2 1 1 A 6 6 LYS HA H 6 4.119 4.134 -0.015 1
1 64 . 2 1 1 A 6 6 LYS C C 6 178.320 179.870 -1.550 1
1 65 . 2 1 1 A 6 6 LYS CA C 6 59.550 59.226 0.324 1
1 66 . 2 1 1 A 6 6 LYS CB C 6 32.639 32.395 0.244 1
1 70 . 2 1 1 A 6 6 LYS N N 6 119.908 117.232 2.676 1
1 71 . 2 1 1 A 7 7 ILE H H 7 7.887 7.923 -0.036 1
1 72 . 2 1 1 A 7 7 ILE HA H 7 3.615 3.722 -0.107 1
1 82 . 2 1 1 A 7 7 ILE C C 7 177.784 177.714 0.070 1
1 83 . 2 1 1 A 7 7 ILE CA C 7 64.351 65.594 -1.243 1
1 84 . 2 1 1 A 7 7 ILE CB C 7 37.623 37.860 -0.237 1
1 88 . 2 1 1 A 7 7 ILE N N 7 120.487 121.149 -0.662 1
1 89 . 2 1 1 A 8 8 ALA H H 8 8.062 8.486 -0.424 1
1 90 . 2 1 1 A 8 8 ALA HA H 8 4.160 3.796 0.364 1
1 94 . 2 1 1 A 8 8 ALA C C 8 180.625 179.462 1.163 1
1 95 . 2 1 1 A 8 8 ALA CA C 8 55.102 55.690 -0.588 1
1 96 . 2 1 1 A 8 8 ALA CB C 8 17.517 18.359 -0.842 1
1 97 . 2 1 1 A 8 8 ALA N N 8 121.576 121.792 -0.216 1
1 98 . 2 1 1 A 9 9 ARG H H 9 7.769 7.359 0.410 1
1 99 . 2 1 1 A 9 9 ARG HA H 9 4.226 4.147 0.079 1
1 107 . 2 1 1 A 9 9 ARG C C 9 178.076 178.824 -0.748 1
1 108 . 2 1 1 A 9 9 ARG CA C 9 57.517 58.744 -1.227 1
1 109 . 2 1 1 A 9 9 ARG CB C 9 29.638 29.880 -0.242 1
1 112 . 2 1 1 A 9 9 ARG N N 9 120.694 118.627 2.067 1
1 114 . 2 1 1 A 10 10 ILE H H 10 8.462 8.165 0.297 1
1 115 . 2 1 1 A 10 10 ILE HA H 10 3.576 3.610 -0.034 1
1 125 . 2 1 1 A 10 10 ILE C C 10 179.221 177.972 1.249 1
1 126 . 2 1 1 A 10 10 ILE CA C 10 66.414 65.245 1.169 1
1 127 . 2 1 1 A 10 10 ILE CB C 10 37.872 37.502 0.370 1
1 131 . 2 1 1 A 10 10 ILE N N 10 121.475 119.815 1.660 1
1 132 . 2 1 1 A 11 11 ASN H H 11 8.161 8.257 -0.096 1
1 133 . 2 1 1 A 11 11 ASN HA H 11 4.485 4.434 0.051 1
1 138 . 2 1 1 A 11 11 ASN C C 11 178.124 177.999 0.125 1
1 139 . 2 1 1 A 11 11 ASN CA C 11 55.961 56.568 -0.607 1
1 140 . 2 1 1 A 11 11 ASN CB C 11 37.642 37.841 -0.199 1
1 142 . 2 1 1 A 11 11 ASN N N 11 119.357 118.594 0.763 1
1 144 . 2 1 1 A 12 12 GLU H H 12 8.528 8.005 0.523 1
1 145 . 2 1 1 A 12 12 GLU HA H 12 4.111 4.054 0.057 1
1 150 . 2 1 1 A 12 12 GLU C C 12 179.650 179.045 0.605 1
1 151 . 2 1 1 A 12 12 GLU CA C 12 59.252 59.065 0.187 1
1 152 . 2 1 1 A 12 12 GLU CB C 12 30.026 29.520 0.506 1
1 154 . 2 1 1 A 12 12 GLU N N 12 124.689 119.618 5.071 1
1 155 . 2 1 1 A 13 13 LEU H H 13 8.669 8.363 0.306 1
1 156 . 2 1 1 A 13 13 LEU HA H 13 3.948 3.987 -0.039 1
1 166 . 2 1 1 A 13 13 LEU C C 13 178.491 178.961 -0.470 1
1 167 . 2 1 1 A 13 13 LEU CA C 13 57.835 57.908 -0.073 1
1 168 . 2 1 1 A 13 13 LEU CB C 13 41.160 41.446 -0.286 1
1 172 . 2 1 1 A 13 13 LEU N N 13 119.467 120.168 -0.701 1
1 173 . 2 1 1 A 14 14 ALA H H 14 8.326 8.444 -0.118 1
1 174 . 2 1 1 A 14 14 ALA HA H 14 4.076 3.974 0.102 1
1 178 . 2 1 1 A 14 14 ALA C C 14 180.903 179.231 1.672 1
1 179 . 2 1 1 A 14 14 ALA CA C 14 55.100 55.469 -0.369 1
1 180 . 2 1 1 A 14 14 ALA CB C 14 17.838 17.942 -0.104 1
1 181 . 2 1 1 A 14 14 ALA N N 14 122.290 121.819 0.471 1
1 182 . 2 1 1 A 15 15 ALA H H 15 7.794 7.766 0.028 1
1 183 . 2 1 1 A 15 15 ALA HA H 15 4.176 3.988 0.188 1
1 187 . 2 1 1 A 15 15 ALA C C 15 181.255 179.876 1.379 1
1 188 . 2 1 1 A 15 15 ALA CA C 15 55.196 55.494 -0.298 1
1 189 . 2 1 1 A 15 15 ALA CB C 15 17.568 18.331 -0.763 1
1 190 . 2 1 1 A 15 15 ALA N N 15 121.829 120.735 1.094 1
1 191 . 2 1 1 A 16 16 LYS H H 16 7.977 8.236 -0.259 1
1 192 . 2 1 1 A 16 16 LYS HA H 16 4.026 3.955 0.071 1
1 201 . 2 1 1 A 16 16 LYS C C 16 179.086 179.023 0.063 1
1 202 . 2 1 1 A 16 16 LYS CA C 16 59.878 59.149 0.729 1
1 203 . 2 1 1 A 16 16 LYS CB C 16 32.727 32.155 0.572 1
1 207 . 2 1 1 A 16 16 LYS N N 16 120.084 116.865 3.219 1
1 208 . 2 1 1 A 17 17 ALA H H 17 8.527 8.456 0.071 1
1 209 . 2 1 1 A 17 17 ALA HA H 17 4.026 4.000 0.026 1
1 213 . 2 1 1 A 17 17 ALA C C 17 181.147 178.791 2.356 1
1 214 . 2 1 1 A 17 17 ALA CA C 17 54.993 55.325 -0.332 1
1 215 . 2 1 1 A 17 17 ALA CB C 17 17.858 18.104 -0.246 1
1 216 . 2 1 1 A 17 17 ALA N N 17 123.164 122.226 0.938 1
1 217 . 2 1 1 A 18 18 LYS H H 18 8.125 8.022 0.103 1
1 218 . 2 1 1 A 18 18 LYS HA H 18 4.053 4.011 0.042 1
1 227 . 2 1 1 A 18 18 LYS C C 18 177.994 178.267 -0.273 1
1 228 . 2 1 1 A 18 18 LYS CA C 18 58.961 58.872 0.089 1
1 229 . 2 1 1 A 18 18 LYS CB C 18 32.400 32.187 0.213 1
1 233 . 2 1 1 A 18 18 LYS N N 18 120.927 118.731 2.196 1
1 234 . 2 1 1 A 19 19 ALA H H 19 7.659 7.598 0.061 1
1 235 . 2 1 1 A 19 19 ALA HA H 19 4.355 4.309 0.046 1
1 239 . 2 1 1 A 19 19 ALA C C 19 177.769 177.847 -0.078 1
1 240 . 2 1 1 A 19 19 ALA CA C 19 52.453 52.283 0.170 1
1 241 . 2 1 1 A 19 19 ALA CB C 19 19.483 19.646 -0.163 1
1 242 . 2 1 1 A 19 19 ALA N N 19 118.300 119.122 -0.822 1
1 243 . 2 1 1 A 20 20 GLY H H 20 7.758 7.945 -0.187 1
1 244 . 2 1 1 A 20 20 GLY HA2 H 20 4.180 3.968 0.212 1
1 245 . 2 1 1 A 20 20 GLY HA3 H 20 3.947 3.969 -0.022 1
1 246 . 2 1 1 A 20 20 GLY C C 20 175.031 174.827 0.204 1
1 247 . 2 1 1 A 20 20 GLY CA C 20 45.907 45.517 0.390 1
1 248 . 2 1 1 A 20 20 GLY N N 20 105.949 106.424 -0.475 1
1 249 . 2 1 1 A 21 21 VAL H H 21 7.678 7.789 -0.111 1
1 250 . 2 1 1 A 21 21 VAL HA H 21 4.608 4.472 0.136 1
1 258 . 2 1 1 A 21 21 VAL C C 21 175.837 174.768 1.069 1
1 259 . 2 1 1 A 21 21 VAL CA C 21 60.158 60.788 -0.630 1
1 260 . 2 1 1 A 21 21 VAL CB C 21 32.525 31.624 0.901 1
1 263 . 2 1 1 A 21 21 VAL N N 21 109.739 116.735 -6.996 1
1 264 . 2 1 1 A 22 22 ILE H H 22 6.842 7.394 -0.552 1
1 265 . 2 1 1 A 22 22 ILE HA H 22 4.347 4.849 -0.502 1
1 275 . 2 1 1 A 22 22 ILE C C 22 174.145 175.678 -1.533 1
1 276 . 2 1 1 A 22 22 ILE CA C 22 61.285 59.143 2.142 1
1 277 . 2 1 1 A 22 22 ILE CB C 22 40.142 40.985 -0.843 1
1 281 . 2 1 1 A 22 22 ILE N N 22 124.020 123.756 0.264 1
1 282 . 2 1 1 A 23 23 THR H H 23 9.104 8.752 0.352 1
1 283 . 2 1 1 A 23 23 THR HA H 23 4.597 4.702 -0.105 1
1 288 . 2 1 1 A 23 23 THR C C 23 175.820 176.103 -0.283 1
1 289 . 2 1 1 A 23 23 THR CA C 23 61.139 60.568 0.571 1
1 290 . 2 1 1 A 23 23 THR CB C 23 71.396 71.427 -0.031 1
1 292 . 2 1 1 A 23 23 THR N N 23 120.184 117.381 2.803 1
1 293 . 2 1 1 A 24 24 GLU H H 24 9.011 9.098 -0.087 1
1 294 . 2 1 1 A 24 24 GLU HA H 24 3.965 3.999 -0.034 1
1 299 . 2 1 1 A 24 24 GLU C C 24 180.012 179.006 1.006 1
1 300 . 2 1 1 A 24 24 GLU CA C 24 60.049 59.860 0.189 1
1 301 . 2 1 1 A 24 24 GLU CB C 24 29.095 29.255 -0.160 1
1 303 . 2 1 1 A 24 24 GLU N N 24 120.289 121.603 -1.314 1
1 304 . 2 1 1 A 25 25 GLU H H 25 8.917 8.132 0.785 1
1 305 . 2 1 1 A 25 25 GLU HA H 25 4.116 4.141 -0.025 1
1 310 . 2 1 1 A 25 25 GLU C C 25 180.164 179.069 1.095 1
1 311 . 2 1 1 A 25 25 GLU CA C 25 60.042 59.222 0.820 1
1 312 . 2 1 1 A 25 25 GLU CB C 25 29.131 29.104 0.027 1
1 314 . 2 1 1 A 25 25 GLU N N 25 120.676 120.080 0.596 1
1 315 . 2 1 1 A 26 26 GLU H H 26 7.837 7.724 0.113 1
1 316 . 2 1 1 A 26 26 GLU HA H 26 4.074 4.095 -0.021 1
1 321 . 2 1 1 A 26 26 GLU C C 26 179.093 179.247 -0.154 1
1 322 . 2 1 1 A 26 26 GLU CA C 26 58.684 59.016 -0.332 1
1 323 . 2 1 1 A 26 26 GLU CB C 26 30.606 29.249 1.357 1
1 325 . 2 1 1 A 26 26 GLU N N 26 121.997 119.882 2.115 1
1 326 . 2 1 1 A 27 27 LYS H H 27 8.659 8.161 0.498 1
1 327 . 2 1 1 A 27 27 LYS HA H 27 3.964 4.015 -0.051 1
1 336 . 2 1 1 A 27 27 LYS C C 27 179.776 179.283 0.493 1
1 337 . 2 1 1 A 27 27 LYS CA C 27 60.129 59.381 0.748 1
1 338 . 2 1 1 A 27 27 LYS CB C 27 32.537 32.289 0.248 1
1 342 . 2 1 1 A 27 27 LYS N N 27 121.367 119.892 1.475 1
1 343 . 2 1 1 A 28 28 ALA H H 28 7.648 8.343 -0.695 1
1 344 . 2 1 1 A 28 28 ALA HA H 28 4.216 4.045 0.171 1
1 348 . 2 1 1 A 28 28 ALA C C 28 180.525 178.913 1.612 1
1 349 . 2 1 1 A 28 28 ALA CA C 28 55.014 54.926 0.088 1
1 350 . 2 1 1 A 28 28 ALA CB C 28 17.610 18.440 -0.830 1
1 351 . 2 1 1 A 28 28 ALA N N 28 122.685 121.996 0.689 1
1 352 . 2 1 1 A 29 29 GLU H H 29 7.915 8.049 -0.134 1
1 353 . 2 1 1 A 29 29 GLU HA H 29 3.971 4.113 -0.142 1
1 358 . 2 1 1 A 29 29 GLU C C 29 178.193 178.351 -0.158 1
1 359 . 2 1 1 A 29 29 GLU CA C 29 59.269 59.272 -0.003 1
1 360 . 2 1 1 A 29 29 GLU CB C 29 29.467 29.184 0.283 1
1 362 . 2 1 1 A 29 29 GLU N N 29 122.691 118.280 4.411 1
1 363 . 2 1 1 A 30 30 GLN H H 30 8.891 8.237 0.654 1
1 364 . 2 1 1 A 30 30 GLN HA H 30 3.805 3.984 -0.179 1
1 371 . 2 1 1 A 30 30 GLN C C 30 177.828 178.363 -0.535 1
1 372 . 2 1 1 A 30 30 GLN CA C 30 59.703 59.221 0.482 1
1 373 . 2 1 1 A 30 30 GLN CB C 30 29.404 28.193 1.211 1
1 376 . 2 1 1 A 30 30 GLN N N 30 119.325 118.500 0.825 1
1 378 . 2 1 1 A 31 31 GLN H H 31 7.874 7.890 -0.016 1
1 379 . 2 1 1 A 31 31 GLN HA H 31 4.085 3.980 0.105 1
1 386 . 2 1 1 A 31 31 GLN C C 31 178.371 178.241 0.130 1
1 387 . 2 1 1 A 31 31 GLN CA C 31 58.842 59.065 -0.223 1
1 388 . 2 1 1 A 31 31 GLN CB C 31 28.283 28.207 0.076 1
1 391 . 2 1 1 A 31 31 GLN N N 31 118.010 119.556 -1.546 1
1 393 . 2 1 1 A 32 32 LYS H H 32 7.739 7.887 -0.148 1
1 394 . 2 1 1 A 32 32 LYS HA H 32 4.096 4.045 0.051 1
1 403 . 2 1 1 A 32 32 LYS C C 32 179.952 178.995 0.957 1
1 404 . 2 1 1 A 32 32 LYS CA C 32 59.708 59.579 0.129 1
1 405 . 2 1 1 A 32 32 LYS CB C 32 32.403 32.202 0.201 1
1 409 . 2 1 1 A 32 32 LYS N N 32 120.842 120.392 0.450 1
1 410 . 2 1 1 A 33 33 LEU H H 33 8.617 8.435 0.182 1
1 411 . 2 1 1 A 33 33 LEU HA H 33 4.153 3.972 0.181 1
1 421 . 2 1 1 A 33 33 LEU C C 33 179.446 179.207 0.239 1
1 422 . 2 1 1 A 33 33 LEU CA C 33 57.774 58.004 -0.230 1
1 423 . 2 1 1 A 33 33 LEU CB C 33 42.585 41.398 1.187 1
1 427 . 2 1 1 A 33 33 LEU N N 33 120.088 119.562 0.526 1
1 428 . 2 1 1 A 34 34 ARG H H 34 8.413 8.274 0.139 1
1 429 . 2 1 1 A 34 34 ARG HA H 34 4.009 3.940 0.069 1
1 436 . 2 1 1 A 34 34 ARG C C 34 178.614 179.224 -0.610 1
1 437 . 2 1 1 A 34 34 ARG CA C 34 59.839 59.579 0.260 1
1 438 . 2 1 1 A 34 34 ARG CB C 34 29.772 29.627 0.145 1
1 441 . 2 1 1 A 34 34 ARG N N 34 119.206 119.335 -0.129 1
1 442 . 2 1 1 A 35 35 GLN H H 35 7.850 7.996 -0.146 1
1 443 . 2 1 1 A 35 35 GLN HA H 35 4.085 4.083 0.002 1
1 450 . 2 1 1 A 35 35 GLN C C 35 178.621 178.688 -0.067 1
1 451 . 2 1 1 A 35 35 GLN CA C 35 58.771 59.012 -0.241 1
1 452 . 2 1 1 A 35 35 GLN CB C 35 28.331 28.354 -0.023 1
1 455 . 2 1 1 A 35 35 GLN N N 35 117.434 118.931 -1.497 1
1 457 . 2 1 1 A 36 36 GLU H H 36 7.939 8.230 -0.291 1
1 458 . 2 1 1 A 36 36 GLU HA H 36 4.015 4.048 -0.033 1
1 463 . 2 1 1 A 36 36 GLU C C 36 178.975 178.736 0.239 1
1 464 . 2 1 1 A 36 36 GLU CA C 36 59.271 59.311 -0.040 1
1 465 . 2 1 1 A 36 36 GLU CB C 36 29.750 29.316 0.434 1
1 467 . 2 1 1 A 36 36 GLU N N 36 119.554 120.412 -0.858 1
1 468 . 2 1 1 A 37 37 TYR H H 37 8.578 8.330 0.248 1
1 469 . 2 1 1 A 37 37 TYR HA H 37 4.164 4.215 -0.051 1
1 476 . 2 1 1 A 37 37 TYR C C 37 177.550 177.165 0.385 1
1 477 . 2 1 1 A 37 37 TYR CA C 37 60.590 61.420 -0.830 1
1 478 . 2 1 1 A 37 37 TYR CB C 37 38.709 38.517 0.192 1
1 483 . 2 1 1 A 37 37 TYR N N 37 120.782 122.852 -2.070 1
1 484 . 2 1 1 A 38 38 LEU H H 38 8.229 8.632 -0.403 1
1 485 . 2 1 1 A 38 38 LEU HA H 38 4.072 4.028 0.044 1
1 495 . 2 1 1 A 38 38 LEU C C 38 178.983 177.856 1.127 1
1 496 . 2 1 1 A 38 38 LEU CA C 38 57.053 57.961 -0.908 1
1 497 . 2 1 1 A 38 38 LEU CB C 38 42.020 41.438 0.582 1
1 501 . 2 1 1 A 38 38 LEU N N 38 119.275 120.523 -1.248 1
1 502 . 2 1 1 A 39 39 LYS H H 39 7.790 7.734 0.056 1
1 503 . 2 1 1 A 39 39 LYS HA H 39 4.152 4.154 -0.002 1
1 512 . 2 1 1 A 39 39 LYS C C 39 178.123 177.422 0.701 1
1 513 . 2 1 1 A 39 39 LYS CA C 39 58.197 58.367 -0.170 1
1 514 . 2 1 1 A 39 39 LYS CB C 39 32.466 32.017 0.449 1
1 518 . 2 1 1 A 39 39 LYS N N 39 118.917 119.145 -0.228 1
1 519 . 2 1 1 A 40 40 GLY H H 40 7.885 8.986 -1.101 1
1 520 . 2 1 1 A 40 40 GLY HA2 H 40 3.970 3.998 -0.028 1
1 521 . 2 1 1 A 40 40 GLY HA3 H 40 3.768 4.000 -0.232 1
1 522 . 2 1 1 A 40 40 GLY C C 40 174.349 175.067 -0.718 1
1 523 . 2 1 1 A 40 40 GLY CA C 40 45.758 45.485 0.273 1
1 524 . 2 1 1 A 40 40 GLY N N 40 106.796 113.730 -6.934 1
1 525 . 2 1 1 A 41 41 PHE H H 41 7.859 7.822 0.037 1
1 526 . 2 1 1 A 41 41 PHE HA H 41 4.455 4.038 0.417 1
1 534 . 2 1 1 A 41 41 PHE C C 41 176.028 175.359 0.669 1
1 535 . 2 1 1 A 41 41 PHE CA C 41 58.735 60.598 -1.863 1
1 536 . 2 1 1 A 41 41 PHE CB C 41 39.408 39.993 -0.585 1
1 542 . 2 1 1 A 41 41 PHE N N 41 120.317 121.463 -1.146 1
1 543 . 2 1 1 A 42 42 ARG H H 42 8.044 7.238 0.806 1
1 544 . 2 1 1 A 42 42 ARG HA H 42 4.269 4.616 -0.347 1
1 551 . 2 1 1 A 42 42 ARG C C 42 176.487 175.363 1.124 1
1 552 . 2 1 1 A 42 42 ARG CA C 42 56.505 55.549 0.956 1
1 553 . 2 1 1 A 42 42 ARG CB C 42 30.801 32.338 -1.537 1
1 556 . 2 1 1 A 42 42 ARG N N 42 121.581 118.089 3.492 1
1 557 . 2 1 1 A 43 43 SER H H 43 8.218 8.510 -0.292 1
1 558 . 2 1 1 A 43 43 SER HA H 43 4.389 5.176 -0.787 1
1 561 . 2 1 1 A 43 43 SER C C 43 174.872 172.404 2.468 1
1 562 . 2 1 1 A 43 43 SER CA C 43 58.809 56.470 2.339 1
1 563 . 2 1 1 A 43 43 SER CB C 43 63.615 65.479 -1.864 1
1 564 . 2 1 1 A 43 43 SER N N 43 116.338 118.462 -2.124 1
1 565 . 2 1 1 A 44 44 SER H H 44 8.247 8.730 -0.483 1
1 566 . 2 1 1 A 44 44 SER HA H 44 4.441 4.624 -0.183 1
1 569 . 2 1 1 A 44 44 SER C C 44 174.653 173.207 1.446 1
1 570 . 2 1 1 A 44 44 SER CA C 44 58.697 57.069 1.628 1
1 571 . 2 1 1 A 44 44 SER CB C 44 63.743 63.370 0.373 1
1 572 . 2 1 1 A 44 44 SER N N 44 117.375 119.856 -2.481 1
1 573 . 2 1 1 A 45 45 MET H H 45 8.194 8.952 -0.758 1
1 574 . 2 1 1 A 45 45 MET HA H 45 4.417 4.601 -0.184 1
1 579 . 2 1 1 A 45 45 MET C C 45 176.033 175.537 0.496 1
1 580 . 2 1 1 A 45 45 MET CA C 45 55.795 54.975 0.820 1
1 581 . 2 1 1 A 45 45 MET CB C 45 32.840 32.042 0.798 1
1 583 . 2 1 1 A 45 45 MET N N 45 122.021 129.610 -7.589 1
1 584 . 2 1 1 A 46 46 LYS H H 46 8.220 8.277 -0.057 1
1 585 . 2 1 1 A 46 46 LYS HA H 46 4.276 5.248 -0.972 1
1 594 . 2 1 1 A 46 46 LYS C C 46 176.299 174.845 1.454 1
1 595 . 2 1 1 A 46 46 LYS CA C 46 56.399 54.195 2.204 1
1 596 . 2 1 1 A 46 46 LYS CB C 46 32.834 35.863 -3.029 1
1 600 . 2 1 1 A 46 46 LYS N N 46 122.277 122.197 0.080 1
1 601 . 2 1 1 A 47 47 LEU H H 47 8.210 8.786 -0.576 1
1 602 . 2 1 1 A 47 47 LEU HA H 47 4.299 4.919 -0.620 1
1 612 . 2 1 1 A 47 47 LEU C C 47 177.189 175.937 1.252 1
1 613 . 2 1 1 A 47 47 LEU CA C 47 55.134 53.784 1.350 1
1 614 . 2 1 1 A 47 47 LEU CB C 47 42.301 44.926 -2.625 1
1 618 . 2 1 1 A 47 47 LEU N N 47 123.549 113.819 9.730 1
1 9 . 3 1 1 A 2 2 ILE HA H 2 4.350 4.295 0.055 1
1 19 . 3 1 1 A 2 2 ILE C C 2 174.508 175.626 -1.118 1
1 20 . 3 1 1 A 2 2 ILE CA C 2 61.095 62.275 -1.180 1
1 21 . 3 1 1 A 2 2 ILE CB C 2 39.193 38.999 0.194 1
1 25 . 3 1 1 A 3 3 SER H H 3 8.112 8.811 -0.699 1
1 26 . 3 1 1 A 3 3 SER HA H 3 4.414 4.621 -0.207 1
1 29 . 3 1 1 A 3 3 SER C C 3 174.652 175.694 -1.042 1
1 30 . 3 1 1 A 3 3 SER CA C 3 57.714 58.198 -0.484 1
1 31 . 3 1 1 A 3 3 SER CB C 3 64.725 64.215 0.510 1
1 32 . 3 1 1 A 3 3 SER N N 3 119.280 123.789 -4.509 1
1 33 . 3 1 1 A 4 4 ASN H H 4 8.832 9.055 -0.223 1
1 34 . 3 1 1 A 4 4 ASN HA H 4 4.511 4.442 0.069 1
1 39 . 3 1 1 A 4 4 ASN C C 4 177.606 177.615 -0.009 1
1 40 . 3 1 1 A 4 4 ASN CA C 4 55.617 56.146 -0.529 1
1 41 . 3 1 1 A 4 4 ASN CB C 4 37.972 38.032 -0.060 1
1 43 . 3 1 1 A 4 4 ASN N N 4 120.760 125.759 -4.999 1
1 45 . 3 1 1 A 5 5 ALA H H 5 8.504 7.766 0.738 1
1 46 . 3 1 1 A 5 5 ALA HA H 5 4.191 4.067 0.124 1
1 50 . 3 1 1 A 5 5 ALA C C 5 180.504 179.715 0.789 1
1 51 . 3 1 1 A 5 5 ALA CA C 5 54.896 55.276 -0.380 1
1 52 . 3 1 1 A 5 5 ALA CB C 5 18.468 18.576 -0.108 1
1 53 . 3 1 1 A 5 5 ALA N N 5 123.401 122.538 0.863 1
1 54 . 3 1 1 A 6 6 LYS H H 6 7.844 7.915 -0.071 1
1 55 . 3 1 1 A 6 6 LYS HA H 6 4.119 4.109 0.010 1
1 64 . 3 1 1 A 6 6 LYS C C 6 178.320 179.491 -1.171 1
1 65 . 3 1 1 A 6 6 LYS CA C 6 59.550 59.342 0.208 1
1 66 . 3 1 1 A 6 6 LYS CB C 6 32.639 32.566 0.073 1
1 70 . 3 1 1 A 6 6 LYS N N 6 119.908 117.696 2.212 1
1 71 . 3 1 1 A 7 7 ILE H H 7 7.887 7.923 -0.036 1
1 72 . 3 1 1 A 7 7 ILE HA H 7 3.615 3.558 0.057 1
1 82 . 3 1 1 A 7 7 ILE C C 7 177.784 177.551 0.233 1
1 83 . 3 1 1 A 7 7 ILE CA C 7 64.351 65.966 -1.615 1
1 84 . 3 1 1 A 7 7 ILE CB C 7 37.623 37.883 -0.260 1
1 88 . 3 1 1 A 7 7 ILE N N 7 120.487 120.811 -0.324 1
1 89 . 3 1 1 A 8 8 ALA H H 8 8.062 8.562 -0.500 1
1 90 . 3 1 1 A 8 8 ALA HA H 8 4.160 3.851 0.309 1
1 94 . 3 1 1 A 8 8 ALA C C 8 180.625 179.274 1.351 1
1 95 . 3 1 1 A 8 8 ALA CA C 8 55.102 55.336 -0.234 1
1 96 . 3 1 1 A 8 8 ALA CB C 8 17.517 18.319 -0.802 1
1 97 . 3 1 1 A 8 8 ALA N N 8 121.576 121.706 -0.130 1
1 98 . 3 1 1 A 9 9 ARG H H 9 7.769 7.467 0.302 1
1 99 . 3 1 1 A 9 9 ARG HA H 9 4.226 4.084 0.142 1
1 107 . 3 1 1 A 9 9 ARG C C 9 178.076 178.921 -0.845 1
1 108 . 3 1 1 A 9 9 ARG CA C 9 57.517 58.838 -1.321 1
1 109 . 3 1 1 A 9 9 ARG CB C 9 29.638 29.920 -0.282 1
1 112 . 3 1 1 A 9 9 ARG N N 9 120.694 118.365 2.329 1
1 114 . 3 1 1 A 10 10 ILE H H 10 8.462 8.331 0.131 1
1 115 . 3 1 1 A 10 10 ILE HA H 10 3.576 3.558 0.018 1
1 125 . 3 1 1 A 10 10 ILE C C 10 179.221 177.951 1.270 1
1 126 . 3 1 1 A 10 10 ILE CA C 10 66.414 65.484 0.930 1
1 127 . 3 1 1 A 10 10 ILE CB C 10 37.872 37.753 0.119 1
1 131 . 3 1 1 A 10 10 ILE N N 10 121.475 119.768 1.707 1
1 132 . 3 1 1 A 11 11 ASN H H 11 8.161 8.496 -0.335 1
1 133 . 3 1 1 A 11 11 ASN HA H 11 4.485 4.427 0.058 1
1 138 . 3 1 1 A 11 11 ASN C C 11 178.124 177.871 0.253 1
1 139 . 3 1 1 A 11 11 ASN CA C 11 55.961 56.531 -0.570 1
1 140 . 3 1 1 A 11 11 ASN CB C 11 37.642 37.937 -0.295 1
1 142 . 3 1 1 A 11 11 ASN N N 11 119.357 117.808 1.549 1
1 144 . 3 1 1 A 12 12 GLU H H 12 8.528 7.670 0.858 1
1 145 . 3 1 1 A 12 12 GLU HA H 12 4.111 4.115 -0.004 1
1 150 . 3 1 1 A 12 12 GLU C C 12 179.650 179.039 0.611 1
1 151 . 3 1 1 A 12 12 GLU CA C 12 59.252 58.798 0.454 1
1 152 . 3 1 1 A 12 12 GLU CB C 12 30.026 29.417 0.609 1
1 154 . 3 1 1 A 12 12 GLU N N 12 124.689 119.337 5.352 1
1 155 . 3 1 1 A 13 13 LEU H H 13 8.669 8.440 0.229 1
1 156 . 3 1 1 A 13 13 LEU HA H 13 3.948 4.014 -0.066 1
1 166 . 3 1 1 A 13 13 LEU C C 13 178.491 179.100 -0.609 1
1 167 . 3 1 1 A 13 13 LEU CA C 13 57.835 57.839 -0.004 1
1 168 . 3 1 1 A 13 13 LEU CB C 13 41.160 41.156 0.004 1
1 172 . 3 1 1 A 13 13 LEU N N 13 119.467 120.016 -0.549 1
1 173 . 3 1 1 A 14 14 ALA H H 14 8.326 8.555 -0.229 1
1 174 . 3 1 1 A 14 14 ALA HA H 14 4.076 3.993 0.083 1
1 178 . 3 1 1 A 14 14 ALA C C 14 180.903 179.182 1.721 1
1 179 . 3 1 1 A 14 14 ALA CA C 14 55.100 55.352 -0.252 1
1 180 . 3 1 1 A 14 14 ALA CB C 14 17.838 17.860 -0.022 1
1 181 . 3 1 1 A 14 14 ALA N N 14 122.290 122.476 -0.186 1
1 182 . 3 1 1 A 15 15 ALA H H 15 7.794 7.808 -0.014 1
1 183 . 3 1 1 A 15 15 ALA HA H 15 4.176 4.016 0.160 1
1 187 . 3 1 1 A 15 15 ALA C C 15 181.255 179.878 1.377 1
1 188 . 3 1 1 A 15 15 ALA CA C 15 55.196 54.980 0.216 1
1 189 . 3 1 1 A 15 15 ALA CB C 15 17.568 18.489 -0.921 1
1 190 . 3 1 1 A 15 15 ALA N N 15 121.829 119.640 2.189 1
1 191 . 3 1 1 A 16 16 LYS H H 16 7.977 8.403 -0.426 1
1 192 . 3 1 1 A 16 16 LYS HA H 16 4.026 4.004 0.022 1
1 201 . 3 1 1 A 16 16 LYS C C 16 179.086 179.184 -0.098 1
1 202 . 3 1 1 A 16 16 LYS CA C 16 59.878 59.784 0.094 1
1 203 . 3 1 1 A 16 16 LYS CB C 16 32.727 32.149 0.578 1
1 207 . 3 1 1 A 16 16 LYS N N 16 120.084 116.615 3.469 1
1 208 . 3 1 1 A 17 17 ALA H H 17 8.527 8.316 0.211 1
1 209 . 3 1 1 A 17 17 ALA HA H 17 4.026 3.990 0.036 1
1 213 . 3 1 1 A 17 17 ALA C C 17 181.147 179.254 1.893 1
1 214 . 3 1 1 A 17 17 ALA CA C 17 54.993 55.344 -0.351 1
1 215 . 3 1 1 A 17 17 ALA CB C 17 17.858 18.056 -0.198 1
1 216 . 3 1 1 A 17 17 ALA N N 17 123.164 122.326 0.838 1
1 217 . 3 1 1 A 18 18 LYS H H 18 8.125 8.277 -0.152 1
1 218 . 3 1 1 A 18 18 LYS HA H 18 4.053 4.086 -0.033 1
1 227 . 3 1 1 A 18 18 LYS C C 18 177.994 178.691 -0.697 1
1 228 . 3 1 1 A 18 18 LYS CA C 18 58.961 58.906 0.055 1
1 229 . 3 1 1 A 18 18 LYS CB C 18 32.400 32.009 0.391 1
1 233 . 3 1 1 A 18 18 LYS N N 18 120.927 117.116 3.811 1
1 234 . 3 1 1 A 19 19 ALA H H 19 7.659 7.488 0.171 1
1 235 . 3 1 1 A 19 19 ALA HA H 19 4.355 4.355 0.000 1
1 239 . 3 1 1 A 19 19 ALA C C 19 177.769 177.938 -0.169 1
1 240 . 3 1 1 A 19 19 ALA CA C 19 52.453 51.984 0.469 1
1 241 . 3 1 1 A 19 19 ALA CB C 19 19.483 19.568 -0.085 1
1 242 . 3 1 1 A 19 19 ALA N N 19 118.300 118.496 -0.196 1
1 243 . 3 1 1 A 20 20 GLY H H 20 7.758 7.689 0.069 1
1 244 . 3 1 1 A 20 20 GLY HA2 H 20 4.180 3.910 0.270 1
1 245 . 3 1 1 A 20 20 GLY HA3 H 20 3.947 3.911 0.036 1
1 246 . 3 1 1 A 20 20 GLY C C 20 175.031 175.059 -0.028 1
1 247 . 3 1 1 A 20 20 GLY CA C 20 45.907 45.844 0.063 1
1 248 . 3 1 1 A 20 20 GLY N N 20 105.949 106.447 -0.498 1
1 249 . 3 1 1 A 21 21 VAL H H 21 7.678 7.724 -0.046 1
1 250 . 3 1 1 A 21 21 VAL HA H 21 4.608 4.178 0.430 1
1 258 . 3 1 1 A 21 21 VAL C C 21 175.837 175.816 0.021 1
1 259 . 3 1 1 A 21 21 VAL CA C 21 60.158 62.807 -2.649 1
1 260 . 3 1 1 A 21 21 VAL CB C 21 32.525 32.057 0.468 1
1 263 . 3 1 1 A 21 21 VAL N N 21 109.739 117.328 -7.589 1
1 264 . 3 1 1 A 22 22 ILE H H 22 6.842 7.031 -0.189 1
1 265 . 3 1 1 A 22 22 ILE HA H 22 4.347 4.123 0.224 1
1 275 . 3 1 1 A 22 22 ILE C C 22 174.145 175.298 -1.153 1
1 276 . 3 1 1 A 22 22 ILE CA C 22 61.285 61.798 -0.513 1
1 277 . 3 1 1 A 22 22 ILE CB C 22 40.142 38.822 1.320 1
1 281 . 3 1 1 A 22 22 ILE N N 22 124.020 124.290 -0.270 1
1 282 . 3 1 1 A 23 23 THR H H 23 9.104 8.231 0.873 1
1 283 . 3 1 1 A 23 23 THR HA H 23 4.597 4.703 -0.106 1
1 288 . 3 1 1 A 23 23 THR C C 23 175.820 175.933 -0.113 1
1 289 . 3 1 1 A 23 23 THR CA C 23 61.139 60.632 0.507 1
1 290 . 3 1 1 A 23 23 THR CB C 23 71.396 71.370 0.026 1
1 292 . 3 1 1 A 23 23 THR N N 23 120.184 118.077 2.107 1
1 293 . 3 1 1 A 24 24 GLU H H 24 9.011 9.048 -0.037 1
1 294 . 3 1 1 A 24 24 GLU HA H 24 3.965 4.012 -0.047 1
1 299 . 3 1 1 A 24 24 GLU C C 24 180.012 179.004 1.008 1
1 300 . 3 1 1 A 24 24 GLU CA C 24 60.049 59.953 0.096 1
1 301 . 3 1 1 A 24 24 GLU CB C 24 29.095 29.253 -0.158 1
1 303 . 3 1 1 A 24 24 GLU N N 24 120.289 121.545 -1.256 1
1 304 . 3 1 1 A 25 25 GLU H H 25 8.917 8.135 0.782 1
1 305 . 3 1 1 A 25 25 GLU HA H 25 4.116 4.081 0.035 1
1 310 . 3 1 1 A 25 25 GLU C C 25 180.164 179.034 1.130 1
1 311 . 3 1 1 A 25 25 GLU CA C 25 60.042 59.338 0.704 1
1 312 . 3 1 1 A 25 25 GLU CB C 25 29.131 29.148 -0.017 1
1 314 . 3 1 1 A 25 25 GLU N N 25 120.676 119.709 0.967 1
1 315 . 3 1 1 A 26 26 GLU H H 26 7.837 7.893 -0.056 1
1 316 . 3 1 1 A 26 26 GLU HA H 26 4.074 4.075 -0.001 1
1 321 . 3 1 1 A 26 26 GLU C C 26 179.093 179.117 -0.024 1
1 322 . 3 1 1 A 26 26 GLU CA C 26 58.684 59.087 -0.403 1
1 323 . 3 1 1 A 26 26 GLU CB C 26 30.606 29.257 1.349 1
1 325 . 3 1 1 A 26 26 GLU N N 26 121.997 119.320 2.677 1
1 326 . 3 1 1 A 27 27 LYS H H 27 8.659 8.245 0.414 1
1 327 . 3 1 1 A 27 27 LYS HA H 27 3.964 4.034 -0.070 1
1 336 . 3 1 1 A 27 27 LYS C C 27 179.776 179.254 0.522 1
1 337 . 3 1 1 A 27 27 LYS CA C 27 60.129 59.556 0.573 1
1 338 . 3 1 1 A 27 27 LYS CB C 27 32.537 32.434 0.103 1
1 342 . 3 1 1 A 27 27 LYS N N 27 121.367 119.919 1.448 1
1 343 . 3 1 1 A 28 28 ALA H H 28 7.648 8.038 -0.390 1
1 344 . 3 1 1 A 28 28 ALA HA H 28 4.216 4.052 0.164 1
1 348 . 3 1 1 A 28 28 ALA C C 28 180.525 179.015 1.510 1
1 349 . 3 1 1 A 28 28 ALA CA C 28 55.014 54.915 0.099 1
1 350 . 3 1 1 A 28 28 ALA CB C 28 17.610 18.266 -0.656 1
1 351 . 3 1 1 A 28 28 ALA N N 28 122.685 121.835 0.850 1
1 352 . 3 1 1 A 29 29 GLU H H 29 7.915 8.343 -0.428 1
1 353 . 3 1 1 A 29 29 GLU HA H 29 3.971 4.027 -0.056 1
1 358 . 3 1 1 A 29 29 GLU C C 29 178.193 178.697 -0.504 1
1 359 . 3 1 1 A 29 29 GLU CA C 29 59.269 59.654 -0.385 1
1 360 . 3 1 1 A 29 29 GLU CB C 29 29.467 29.113 0.354 1
1 362 . 3 1 1 A 29 29 GLU N N 29 122.691 118.429 4.262 1
1 363 . 3 1 1 A 30 30 GLN H H 30 8.891 8.096 0.795 1
1 364 . 3 1 1 A 30 30 GLN HA H 30 3.805 3.970 -0.165 1
1 371 . 3 1 1 A 30 30 GLN C C 30 177.828 178.470 -0.642 1
1 372 . 3 1 1 A 30 30 GLN CA C 30 59.703 59.283 0.420 1
1 373 . 3 1 1 A 30 30 GLN CB C 30 29.404 28.249 1.155 1
1 376 . 3 1 1 A 30 30 GLN N N 30 119.325 118.756 0.569 1
1 378 . 3 1 1 A 31 31 GLN H H 31 7.874 7.799 0.075 1
1 379 . 3 1 1 A 31 31 GLN HA H 31 4.085 3.947 0.138 1
1 386 . 3 1 1 A 31 31 GLN C C 31 178.371 178.328 0.043 1
1 387 . 3 1 1 A 31 31 GLN CA C 31 58.842 58.931 -0.089 1
1 388 . 3 1 1 A 31 31 GLN CB C 31 28.283 28.206 0.077 1
1 391 . 3 1 1 A 31 31 GLN N N 31 118.010 118.795 -0.785 1
1 393 . 3 1 1 A 32 32 LYS H H 32 7.739 7.937 -0.198 1
1 394 . 3 1 1 A 32 32 LYS HA H 32 4.096 4.060 0.036 1
1 403 . 3 1 1 A 32 32 LYS C C 32 179.952 179.112 0.840 1
1 404 . 3 1 1 A 32 32 LYS CA C 32 59.708 59.475 0.233 1
1 405 . 3 1 1 A 32 32 LYS CB C 32 32.403 32.094 0.309 1
1 409 . 3 1 1 A 32 32 LYS N N 32 120.842 120.876 -0.034 1
1 410 . 3 1 1 A 33 33 LEU H H 33 8.617 8.581 0.036 1
1 411 . 3 1 1 A 33 33 LEU HA H 33 4.153 3.975 0.178 1
1 421 . 3 1 1 A 33 33 LEU C C 33 179.446 179.324 0.122 1
1 422 . 3 1 1 A 33 33 LEU CA C 33 57.774 57.944 -0.170 1
1 423 . 3 1 1 A 33 33 LEU CB C 33 42.585 40.992 1.593 1
1 427 . 3 1 1 A 33 33 LEU N N 33 120.088 119.323 0.765 1
1 428 . 3 1 1 A 34 34 ARG H H 34 8.413 8.313 0.100 1
1 429 . 3 1 1 A 34 34 ARG HA H 34 4.009 4.096 -0.087 1
1 436 . 3 1 1 A 34 34 ARG C C 34 178.614 179.139 -0.525 1
1 437 . 3 1 1 A 34 34 ARG CA C 34 59.839 59.407 0.432 1
1 438 . 3 1 1 A 34 34 ARG CB C 34 29.772 29.608 0.164 1
1 441 . 3 1 1 A 34 34 ARG N N 34 119.206 119.435 -0.229 1
1 442 . 3 1 1 A 35 35 GLN H H 35 7.850 7.661 0.189 1
1 443 . 3 1 1 A 35 35 GLN HA H 35 4.085 4.178 -0.093 1
1 450 . 3 1 1 A 35 35 GLN C C 35 178.621 179.092 -0.471 1
1 451 . 3 1 1 A 35 35 GLN CA C 35 58.771 58.907 -0.136 1
1 452 . 3 1 1 A 35 35 GLN CB C 35 28.331 28.150 0.181 1
1 455 . 3 1 1 A 35 35 GLN N N 35 117.434 119.111 -1.677 1
1 457 . 3 1 1 A 36 36 GLU H H 36 7.939 7.866 0.073 1
1 458 . 3 1 1 A 36 36 GLU HA H 36 4.015 4.095 -0.080 1
1 463 . 3 1 1 A 36 36 GLU C C 36 178.975 178.717 0.258 1
1 464 . 3 1 1 A 36 36 GLU CA C 36 59.271 59.236 0.035 1
1 465 . 3 1 1 A 36 36 GLU CB C 36 29.750 29.557 0.193 1
1 467 . 3 1 1 A 36 36 GLU N N 36 119.554 121.431 -1.877 1
1 468 . 3 1 1 A 37 37 TYR H H 37 8.578 8.098 0.480 1
1 469 . 3 1 1 A 37 37 TYR HA H 37 4.164 4.180 -0.016 1
1 476 . 3 1 1 A 37 37 TYR C C 37 177.550 177.312 0.238 1
1 477 . 3 1 1 A 37 37 TYR CA C 37 60.590 61.455 -0.865 1
1 478 . 3 1 1 A 37 37 TYR CB C 37 38.709 38.722 -0.013 1
1 483 . 3 1 1 A 37 37 TYR N N 37 120.782 121.935 -1.153 1
1 484 . 3 1 1 A 38 38 LEU H H 38 8.229 8.475 -0.246 1
1 485 . 3 1 1 A 38 38 LEU HA H 38 4.072 4.320 -0.248 1
1 495 . 3 1 1 A 38 38 LEU C C 38 178.983 177.566 1.417 1
1 496 . 3 1 1 A 38 38 LEU CA C 38 57.053 56.858 0.195 1
1 497 . 3 1 1 A 38 38 LEU CB C 38 42.020 41.787 0.233 1
1 501 . 3 1 1 A 38 38 LEU N N 38 119.275 119.938 -0.663 1
1 502 . 3 1 1 A 39 39 LYS H H 39 7.790 7.218 0.572 1
1 503 . 3 1 1 A 39 39 LYS HA H 39 4.152 4.191 -0.039 1
1 512 . 3 1 1 A 39 39 LYS C C 39 178.123 177.415 0.708 1
1 513 . 3 1 1 A 39 39 LYS CA C 39 58.197 58.165 0.032 1
1 514 . 3 1 1 A 39 39 LYS CB C 39 32.466 31.759 0.707 1
1 518 . 3 1 1 A 39 39 LYS N N 39 118.917 119.961 -1.044 1
1 519 . 3 1 1 A 40 40 GLY H H 40 7.885 8.677 -0.792 1
1 520 . 3 1 1 A 40 40 GLY HA2 H 40 3.970 3.844 0.126 1
1 521 . 3 1 1 A 40 40 GLY HA3 H 40 3.768 3.894 -0.126 1
1 522 . 3 1 1 A 40 40 GLY C C 40 174.349 174.430 -0.081 1
1 523 . 3 1 1 A 40 40 GLY CA C 40 45.758 45.089 0.669 1
1 524 . 3 1 1 A 40 40 GLY N N 40 106.796 112.792 -5.996 1
1 525 . 3 1 1 A 41 41 PHE H H 41 7.859 7.663 0.196 1
1 526 . 3 1 1 A 41 41 PHE HA H 41 4.455 4.409 0.046 1
1 534 . 3 1 1 A 41 41 PHE C C 41 176.028 175.918 0.110 1
1 535 . 3 1 1 A 41 41 PHE CA C 41 58.735 58.284 0.451 1
1 536 . 3 1 1 A 41 41 PHE CB C 41 39.408 39.009 0.399 1
1 542 . 3 1 1 A 41 41 PHE N N 41 120.317 119.418 0.899 1
1 543 . 3 1 1 A 42 42 ARG H H 42 8.044 8.958 -0.914 1
1 544 . 3 1 1 A 42 42 ARG HA H 42 4.269 3.921 0.348 1
1 551 . 3 1 1 A 42 42 ARG C C 42 176.487 175.081 1.406 1
1 552 . 3 1 1 A 42 42 ARG CA C 42 56.505 57.596 -1.091 1
1 553 . 3 1 1 A 42 42 ARG CB C 42 30.801 27.880 2.921 1
1 556 . 3 1 1 A 42 42 ARG N N 42 121.581 119.204 2.377 1
1 557 . 3 1 1 A 43 43 SER H H 43 8.218 7.836 0.382 1
1 558 . 3 1 1 A 43 43 SER HA H 43 4.389 4.770 -0.381 1
1 561 . 3 1 1 A 43 43 SER C C 43 174.872 173.633 1.239 1
1 562 . 3 1 1 A 43 43 SER CA C 43 58.809 57.939 0.870 1
1 563 . 3 1 1 A 43 43 SER CB C 43 63.615 64.894 -1.279 1
1 564 . 3 1 1 A 43 43 SER N N 43 116.338 114.452 1.886 1
1 565 . 3 1 1 A 44 44 SER H H 44 8.247 8.689 -0.442 1
1 566 . 3 1 1 A 44 44 SER HA H 44 4.441 4.358 0.083 1
1 569 . 3 1 1 A 44 44 SER C C 44 174.653 175.314 -0.661 1
1 570 . 3 1 1 A 44 44 SER CA C 44 58.697 58.539 0.158 1
1 571 . 3 1 1 A 44 44 SER CB C 44 63.743 63.759 -0.016 1
1 572 . 3 1 1 A 44 44 SER N N 44 117.375 120.966 -3.591 1
1 573 . 3 1 1 A 45 45 MET H H 45 8.194 8.699 -0.505 1
1 574 . 3 1 1 A 45 45 MET HA H 45 4.417 4.542 -0.125 1
1 579 . 3 1 1 A 45 45 MET C C 45 176.033 175.742 0.291 1
1 580 . 3 1 1 A 45 45 MET CA C 45 55.795 54.852 0.943 1
1 581 . 3 1 1 A 45 45 MET CB C 45 32.840 31.430 1.410 1
1 583 . 3 1 1 A 45 45 MET N N 45 122.021 125.612 -3.591 1
1 584 . 3 1 1 A 46 46 LYS H H 46 8.220 8.386 -0.166 1
1 585 . 3 1 1 A 46 46 LYS HA H 46 4.276 4.603 -0.327 1
1 594 . 3 1 1 A 46 46 LYS C C 46 176.299 175.932 0.367 1
1 595 . 3 1 1 A 46 46 LYS CA C 46 56.399 56.287 0.112 1
1 596 . 3 1 1 A 46 46 LYS CB C 46 32.834 32.653 0.181 1
1 600 . 3 1 1 A 46 46 LYS N N 46 122.277 123.195 -0.918 1
1 601 . 3 1 1 A 47 47 LEU H H 47 8.210 8.319 -0.109 1
1 602 . 3 1 1 A 47 47 LEU HA H 47 4.299 4.730 -0.431 1
1 612 . 3 1 1 A 47 47 LEU C C 47 177.189 174.881 2.308 1
1 613 . 3 1 1 A 47 47 LEU CA C 47 55.134 54.216 0.918 1
1 614 . 3 1 1 A 47 47 LEU CB C 47 42.301 45.502 -3.201 1
1 618 . 3 1 1 A 47 47 LEU N N 47 123.549 125.502 -1.953 1
1 9 . 4 1 1 A 2 2 ILE HA H 2 4.350 4.282 0.068 1
1 19 . 4 1 1 A 2 2 ILE C C 2 174.508 175.653 -1.145 1
1 20 . 4 1 1 A 2 2 ILE CA C 2 61.095 62.487 -1.392 1
1 21 . 4 1 1 A 2 2 ILE CB C 2 39.193 38.391 0.802 1
1 25 . 4 1 1 A 3 3 SER H H 3 8.112 8.941 -0.829 1
1 26 . 4 1 1 A 3 3 SER HA H 3 4.414 4.514 -0.100 1
1 29 . 4 1 1 A 3 3 SER C C 3 174.652 175.675 -1.023 1
1 30 . 4 1 1 A 3 3 SER CA C 3 57.714 58.829 -1.115 1
1 31 . 4 1 1 A 3 3 SER CB C 3 64.725 63.531 1.194 1
1 32 . 4 1 1 A 3 3 SER N N 3 119.280 124.378 -5.098 1
1 33 . 4 1 1 A 4 4 ASN H H 4 8.832 9.009 -0.177 1
1 34 . 4 1 1 A 4 4 ASN HA H 4 4.511 4.459 0.052 1
1 39 . 4 1 1 A 4 4 ASN C C 4 177.606 177.639 -0.033 1
1 40 . 4 1 1 A 4 4 ASN CA C 4 55.617 56.262 -0.645 1
1 41 . 4 1 1 A 4 4 ASN CB C 4 37.972 37.949 0.023 1
1 43 . 4 1 1 A 4 4 ASN N N 4 120.760 125.938 -5.178 1
1 45 . 4 1 1 A 5 5 ALA H H 5 8.504 8.037 0.467 1
1 46 . 4 1 1 A 5 5 ALA HA H 5 4.191 4.031 0.160 1
1 50 . 4 1 1 A 5 5 ALA C C 5 180.504 179.659 0.845 1
1 51 . 4 1 1 A 5 5 ALA CA C 5 54.896 55.163 -0.267 1
1 52 . 4 1 1 A 5 5 ALA CB C 5 18.468 18.450 0.018 1
1 53 . 4 1 1 A 5 5 ALA N N 5 123.401 122.888 0.513 1
1 54 . 4 1 1 A 6 6 LYS H H 6 7.844 7.777 0.067 1
1 55 . 4 1 1 A 6 6 LYS HA H 6 4.119 4.112 0.007 1
1 64 . 4 1 1 A 6 6 LYS C C 6 178.320 179.788 -1.468 1
1 65 . 4 1 1 A 6 6 LYS CA C 6 59.550 59.179 0.371 1
1 66 . 4 1 1 A 6 6 LYS CB C 6 32.639 32.442 0.197 1
1 70 . 4 1 1 A 6 6 LYS N N 6 119.908 117.424 2.484 1
1 71 . 4 1 1 A 7 7 ILE H H 7 7.887 8.161 -0.274 1
1 72 . 4 1 1 A 7 7 ILE HA H 7 3.615 3.587 0.028 1
1 82 . 4 1 1 A 7 7 ILE C C 7 177.784 177.420 0.364 1
1 83 . 4 1 1 A 7 7 ILE CA C 7 64.351 65.995 -1.644 1
1 84 . 4 1 1 A 7 7 ILE CB C 7 37.623 37.941 -0.318 1
1 88 . 4 1 1 A 7 7 ILE N N 7 120.487 121.102 -0.615 1
1 89 . 4 1 1 A 8 8 ALA H H 8 8.062 8.663 -0.601 1
1 90 . 4 1 1 A 8 8 ALA HA H 8 4.160 3.902 0.258 1
1 94 . 4 1 1 A 8 8 ALA C C 8 180.625 179.114 1.511 1
1 95 . 4 1 1 A 8 8 ALA CA C 8 55.102 55.383 -0.281 1
1 96 . 4 1 1 A 8 8 ALA CB C 8 17.517 18.252 -0.735 1
1 97 . 4 1 1 A 8 8 ALA N N 8 121.576 121.588 -0.012 1
1 98 . 4 1 1 A 9 9 ARG H H 9 7.769 7.703 0.066 1
1 99 . 4 1 1 A 9 9 ARG HA H 9 4.226 4.096 0.130 1
1 107 . 4 1 1 A 9 9 ARG C C 9 178.076 178.657 -0.581 1
1 108 . 4 1 1 A 9 9 ARG CA C 9 57.517 58.773 -1.256 1
1 109 . 4 1 1 A 9 9 ARG CB C 9 29.638 29.892 -0.254 1
1 112 . 4 1 1 A 9 9 ARG N N 9 120.694 118.489 2.205 1
1 114 . 4 1 1 A 10 10 ILE H H 10 8.462 8.381 0.081 1
1 115 . 4 1 1 A 10 10 ILE HA H 10 3.576 3.522 0.054 1
1 125 . 4 1 1 A 10 10 ILE C C 10 179.221 177.819 1.402 1
1 126 . 4 1 1 A 10 10 ILE CA C 10 66.414 65.694 0.720 1
1 127 . 4 1 1 A 10 10 ILE CB C 10 37.872 37.720 0.152 1
1 131 . 4 1 1 A 10 10 ILE N N 10 121.475 119.808 1.667 1
1 132 . 4 1 1 A 11 11 ASN H H 11 8.161 8.249 -0.088 1
1 133 . 4 1 1 A 11 11 ASN HA H 11 4.485 4.399 0.086 1
1 138 . 4 1 1 A 11 11 ASN C C 11 178.124 177.991 0.133 1
1 139 . 4 1 1 A 11 11 ASN CA C 11 55.961 56.587 -0.626 1
1 140 . 4 1 1 A 11 11 ASN CB C 11 37.642 37.622 0.020 1
1 142 . 4 1 1 A 11 11 ASN N N 11 119.357 118.051 1.306 1
1 144 . 4 1 1 A 12 12 GLU H H 12 8.528 8.154 0.374 1
1 145 . 4 1 1 A 12 12 GLU HA H 12 4.111 4.003 0.108 1
1 150 . 4 1 1 A 12 12 GLU C C 12 179.650 179.084 0.566 1
1 151 . 4 1 1 A 12 12 GLU CA C 12 59.252 59.070 0.182 1
1 152 . 4 1 1 A 12 12 GLU CB C 12 30.026 29.439 0.587 1
1 154 . 4 1 1 A 12 12 GLU N N 12 124.689 119.865 4.824 1
1 155 . 4 1 1 A 13 13 LEU H H 13 8.669 8.231 0.438 1
1 156 . 4 1 1 A 13 13 LEU HA H 13 3.948 3.960 -0.012 1
1 166 . 4 1 1 A 13 13 LEU C C 13 178.491 179.101 -0.610 1
1 167 . 4 1 1 A 13 13 LEU CA C 13 57.835 57.900 -0.065 1
1 168 . 4 1 1 A 13 13 LEU CB C 13 41.160 41.360 -0.200 1
1 172 . 4 1 1 A 13 13 LEU N N 13 119.467 119.937 -0.470 1
1 173 . 4 1 1 A 14 14 ALA H H 14 8.326 8.648 -0.322 1
1 174 . 4 1 1 A 14 14 ALA HA H 14 4.076 4.039 0.037 1
1 178 . 4 1 1 A 14 14 ALA C C 14 180.903 179.844 1.059 1
1 179 . 4 1 1 A 14 14 ALA CA C 14 55.100 55.122 -0.022 1
1 180 . 4 1 1 A 14 14 ALA CB C 14 17.838 18.151 -0.313 1
1 181 . 4 1 1 A 14 14 ALA N N 14 122.290 121.217 1.073 1
1 182 . 4 1 1 A 15 15 ALA H H 15 7.794 7.726 0.068 1
1 183 . 4 1 1 A 15 15 ALA HA H 15 4.176 4.037 0.139 1
1 187 . 4 1 1 A 15 15 ALA C C 15 181.255 179.937 1.318 1
1 188 . 4 1 1 A 15 15 ALA CA C 15 55.196 55.295 -0.099 1
1 189 . 4 1 1 A 15 15 ALA CB C 15 17.568 18.196 -0.628 1
1 190 . 4 1 1 A 15 15 ALA N N 15 121.829 120.757 1.072 1
1 191 . 4 1 1 A 16 16 LYS H H 16 7.977 8.210 -0.233 1
1 192 . 4 1 1 A 16 16 LYS HA H 16 4.026 4.002 0.024 1
1 201 . 4 1 1 A 16 16 LYS C C 16 179.086 178.760 0.326 1
1 202 . 4 1 1 A 16 16 LYS CA C 16 59.878 59.327 0.551 1
1 203 . 4 1 1 A 16 16 LYS CB C 16 32.727 32.170 0.557 1
1 207 . 4 1 1 A 16 16 LYS N N 16 120.084 116.712 3.372 1
1 208 . 4 1 1 A 17 17 ALA H H 17 8.527 8.285 0.242 1
1 209 . 4 1 1 A 17 17 ALA HA H 17 4.026 4.088 -0.062 1
1 213 . 4 1 1 A 17 17 ALA C C 17 181.147 179.766 1.381 1
1 214 . 4 1 1 A 17 17 ALA CA C 17 54.993 55.469 -0.476 1
1 215 . 4 1 1 A 17 17 ALA CB C 17 17.858 18.702 -0.844 1
1 216 . 4 1 1 A 17 17 ALA N N 17 123.164 121.915 1.249 1
1 217 . 4 1 1 A 18 18 LYS H H 18 8.125 8.126 -0.001 1
1 218 . 4 1 1 A 18 18 LYS HA H 18 4.053 3.999 0.054 1
1 227 . 4 1 1 A 18 18 LYS C C 18 177.994 179.375 -1.381 1
1 228 . 4 1 1 A 18 18 LYS CA C 18 58.961 59.152 -0.191 1
1 229 . 4 1 1 A 18 18 LYS CB C 18 32.400 32.028 0.372 1
1 233 . 4 1 1 A 18 18 LYS N N 18 120.927 117.206 3.721 1
1 234 . 4 1 1 A 19 19 ALA H H 19 7.659 7.568 0.091 1
1 235 . 4 1 1 A 19 19 ALA HA H 19 4.355 4.301 0.054 1
1 239 . 4 1 1 A 19 19 ALA C C 19 177.769 177.933 -0.164 1
1 240 . 4 1 1 A 19 19 ALA CA C 19 52.453 52.202 0.251 1
1 241 . 4 1 1 A 19 19 ALA CB C 19 19.483 19.336 0.147 1
1 242 . 4 1 1 A 19 19 ALA N N 19 118.300 118.413 -0.113 1
1 243 . 4 1 1 A 20 20 GLY H H 20 7.758 7.710 0.048 1
1 244 . 4 1 1 A 20 20 GLY HA2 H 20 4.180 3.977 0.203 1
1 245 . 4 1 1 A 20 20 GLY HA3 H 20 3.947 3.978 -0.031 1
1 246 . 4 1 1 A 20 20 GLY C C 20 175.031 175.137 -0.106 1
1 247 . 4 1 1 A 20 20 GLY CA C 20 45.907 46.222 -0.315 1
1 248 . 4 1 1 A 20 20 GLY N N 20 105.949 106.462 -0.513 1
1 249 . 4 1 1 A 21 21 VAL H H 21 7.678 7.970 -0.292 1
1 250 . 4 1 1 A 21 21 VAL HA H 21 4.608 4.533 0.075 1
1 258 . 4 1 1 A 21 21 VAL C C 21 175.837 175.313 0.524 1
1 259 . 4 1 1 A 21 21 VAL CA C 21 60.158 60.780 -0.622 1
1 260 . 4 1 1 A 21 21 VAL CB C 21 32.525 31.934 0.591 1
1 263 . 4 1 1 A 21 21 VAL N N 21 109.739 116.054 -6.315 1
1 264 . 4 1 1 A 22 22 ILE H H 22 6.842 7.476 -0.634 1
1 265 . 4 1 1 A 22 22 ILE HA H 22 4.347 4.241 0.106 1
1 275 . 4 1 1 A 22 22 ILE C C 22 174.145 175.326 -1.181 1
1 276 . 4 1 1 A 22 22 ILE CA C 22 61.285 61.168 0.117 1
1 277 . 4 1 1 A 22 22 ILE CB C 22 40.142 39.393 0.749 1
1 281 . 4 1 1 A 22 22 ILE N N 22 124.020 124.630 -0.610 1
1 282 . 4 1 1 A 23 23 THR H H 23 9.104 8.179 0.925 1
1 283 . 4 1 1 A 23 23 THR HA H 23 4.597 4.742 -0.145 1
1 288 . 4 1 1 A 23 23 THR C C 23 175.820 176.125 -0.305 1
1 289 . 4 1 1 A 23 23 THR CA C 23 61.139 60.498 0.641 1
1 290 . 4 1 1 A 23 23 THR CB C 23 71.396 71.546 -0.150 1
1 292 . 4 1 1 A 23 23 THR N N 23 120.184 118.166 2.018 1
1 293 . 4 1 1 A 24 24 GLU H H 24 9.011 8.992 0.019 1
1 294 . 4 1 1 A 24 24 GLU HA H 24 3.965 3.965 0.000 1
1 299 . 4 1 1 A 24 24 GLU C C 24 180.012 178.921 1.091 1
1 300 . 4 1 1 A 24 24 GLU CA C 24 60.049 60.108 -0.059 1
1 301 . 4 1 1 A 24 24 GLU CB C 24 29.095 29.372 -0.277 1
1 303 . 4 1 1 A 24 24 GLU N N 24 120.289 121.527 -1.238 1
1 304 . 4 1 1 A 25 25 GLU H H 25 8.917 8.165 0.752 1
1 305 . 4 1 1 A 25 25 GLU HA H 25 4.116 4.003 0.113 1
1 310 . 4 1 1 A 25 25 GLU C C 25 180.164 179.321 0.843 1
1 311 . 4 1 1 A 25 25 GLU CA C 25 60.042 59.583 0.459 1
1 312 . 4 1 1 A 25 25 GLU CB C 25 29.131 28.932 0.199 1
1 314 . 4 1 1 A 25 25 GLU N N 25 120.676 120.325 0.351 1
1 315 . 4 1 1 A 26 26 GLU H H 26 7.837 7.945 -0.108 1
1 316 . 4 1 1 A 26 26 GLU HA H 26 4.074 4.119 -0.045 1
1 321 . 4 1 1 A 26 26 GLU C C 26 179.093 179.189 -0.096 1
1 322 . 4 1 1 A 26 26 GLU CA C 26 58.684 58.945 -0.261 1
1 323 . 4 1 1 A 26 26 GLU CB C 26 30.606 29.526 1.080 1
1 325 . 4 1 1 A 26 26 GLU N N 26 121.997 119.675 2.322 1
1 326 . 4 1 1 A 27 27 LYS H H 27 8.659 8.110 0.549 1
1 327 . 4 1 1 A 27 27 LYS HA H 27 3.964 4.020 -0.056 1
1 336 . 4 1 1 A 27 27 LYS C C 27 179.776 179.183 0.593 1
1 337 . 4 1 1 A 27 27 LYS CA C 27 60.129 59.320 0.809 1
1 338 . 4 1 1 A 27 27 LYS CB C 27 32.537 32.168 0.369 1
1 342 . 4 1 1 A 27 27 LYS N N 27 121.367 119.641 1.726 1
1 343 . 4 1 1 A 28 28 ALA H H 28 7.648 8.318 -0.670 1
1 344 . 4 1 1 A 28 28 ALA HA H 28 4.216 4.047 0.169 1
1 348 . 4 1 1 A 28 28 ALA C C 28 180.525 178.984 1.541 1
1 349 . 4 1 1 A 28 28 ALA CA C 28 55.014 55.312 -0.298 1
1 350 . 4 1 1 A 28 28 ALA CB C 28 17.610 18.211 -0.601 1
1 351 . 4 1 1 A 28 28 ALA N N 28 122.685 122.173 0.512 1
1 352 . 4 1 1 A 29 29 GLU H H 29 7.915 8.279 -0.364 1
1 353 . 4 1 1 A 29 29 GLU HA H 29 3.971 4.041 -0.070 1
1 358 . 4 1 1 A 29 29 GLU C C 29 178.193 178.737 -0.544 1
1 359 . 4 1 1 A 29 29 GLU CA C 29 59.269 59.602 -0.333 1
1 360 . 4 1 1 A 29 29 GLU CB C 29 29.467 29.120 0.347 1
1 362 . 4 1 1 A 29 29 GLU N N 29 122.691 118.148 4.543 1
1 363 . 4 1 1 A 30 30 GLN H H 30 8.891 8.069 0.822 1
1 364 . 4 1 1 A 30 30 GLN HA H 30 3.805 3.965 -0.160 1
1 371 . 4 1 1 A 30 30 GLN C C 30 177.828 178.540 -0.712 1
1 372 . 4 1 1 A 30 30 GLN CA C 30 59.703 59.325 0.378 1
1 373 . 4 1 1 A 30 30 GLN CB C 30 29.404 28.255 1.149 1
1 376 . 4 1 1 A 30 30 GLN N N 30 119.325 118.851 0.474 1
1 378 . 4 1 1 A 31 31 GLN H H 31 7.874 7.717 0.157 1
1 379 . 4 1 1 A 31 31 GLN HA H 31 4.085 4.007 0.078 1
1 386 . 4 1 1 A 31 31 GLN C C 31 178.371 177.947 0.424 1
1 387 . 4 1 1 A 31 31 GLN CA C 31 58.842 59.042 -0.200 1
1 388 . 4 1 1 A 31 31 GLN CB C 31 28.283 28.296 -0.013 1
1 391 . 4 1 1 A 31 31 GLN N N 31 118.010 119.063 -1.053 1
1 393 . 4 1 1 A 32 32 LYS H H 32 7.739 8.032 -0.293 1
1 394 . 4 1 1 A 32 32 LYS HA H 32 4.096 4.051 0.045 1
1 403 . 4 1 1 A 32 32 LYS C C 32 179.952 179.297 0.655 1
1 404 . 4 1 1 A 32 32 LYS CA C 32 59.708 59.612 0.096 1
1 405 . 4 1 1 A 32 32 LYS CB C 32 32.403 32.062 0.341 1
1 409 . 4 1 1 A 32 32 LYS N N 32 120.842 120.021 0.821 1
1 410 . 4 1 1 A 33 33 LEU H H 33 8.617 8.434 0.183 1
1 411 . 4 1 1 A 33 33 LEU HA H 33 4.153 4.022 0.131 1
1 421 . 4 1 1 A 33 33 LEU C C 33 179.446 179.289 0.157 1
1 422 . 4 1 1 A 33 33 LEU CA C 33 57.774 57.735 0.039 1
1 423 . 4 1 1 A 33 33 LEU CB C 33 42.585 41.160 1.425 1
1 427 . 4 1 1 A 33 33 LEU N N 33 120.088 119.389 0.699 1
1 428 . 4 1 1 A 34 34 ARG H H 34 8.413 8.508 -0.095 1
1 429 . 4 1 1 A 34 34 ARG HA H 34 4.009 3.978 0.031 1
1 436 . 4 1 1 A 34 34 ARG C C 34 178.614 179.033 -0.419 1
1 437 . 4 1 1 A 34 34 ARG CA C 34 59.839 59.567 0.272 1
1 438 . 4 1 1 A 34 34 ARG CB C 34 29.772 29.753 0.019 1
1 441 . 4 1 1 A 34 34 ARG N N 34 119.206 119.526 -0.320 1
1 442 . 4 1 1 A 35 35 GLN H H 35 7.850 8.028 -0.178 1
1 443 . 4 1 1 A 35 35 GLN HA H 35 4.085 4.116 -0.031 1
1 450 . 4 1 1 A 35 35 GLN C C 35 178.621 179.216 -0.595 1
1 451 . 4 1 1 A 35 35 GLN CA C 35 58.771 59.001 -0.230 1
1 452 . 4 1 1 A 35 35 GLN CB C 35 28.331 28.443 -0.112 1
1 455 . 4 1 1 A 35 35 GLN N N 35 117.434 119.198 -1.764 1
1 457 . 4 1 1 A 36 36 GLU H H 36 7.939 8.097 -0.158 1
1 458 . 4 1 1 A 36 36 GLU HA H 36 4.015 4.052 -0.037 1
1 463 . 4 1 1 A 36 36 GLU C C 36 178.975 179.064 -0.089 1
1 464 . 4 1 1 A 36 36 GLU CA C 36 59.271 59.427 -0.156 1
1 465 . 4 1 1 A 36 36 GLU CB C 36 29.750 29.562 0.188 1
1 467 . 4 1 1 A 36 36 GLU N N 36 119.554 120.476 -0.922 1
1 468 . 4 1 1 A 37 37 TYR H H 37 8.578 8.191 0.387 1
1 469 . 4 1 1 A 37 37 TYR HA H 37 4.164 4.097 0.067 1
1 476 . 4 1 1 A 37 37 TYR C C 37 177.550 177.290 0.260 1
1 477 . 4 1 1 A 37 37 TYR CA C 37 60.590 60.742 -0.152 1
1 478 . 4 1 1 A 37 37 TYR CB C 37 38.709 38.811 -0.102 1
1 483 . 4 1 1 A 37 37 TYR N N 37 120.782 121.778 -0.996 1
1 484 . 4 1 1 A 38 38 LEU H H 38 8.229 7.766 0.463 1
1 485 . 4 1 1 A 38 38 LEU HA H 38 4.072 4.357 -0.285 1
1 495 . 4 1 1 A 38 38 LEU C C 38 178.983 177.285 1.698 1
1 496 . 4 1 1 A 38 38 LEU CA C 38 57.053 56.541 0.512 1
1 497 . 4 1 1 A 38 38 LEU CB C 38 42.020 42.399 -0.379 1
1 501 . 4 1 1 A 38 38 LEU N N 38 119.275 119.746 -0.471 1
1 502 . 4 1 1 A 39 39 LYS H H 39 7.790 7.261 0.529 1
1 503 . 4 1 1 A 39 39 LYS HA H 39 4.152 4.209 -0.057 1
1 512 . 4 1 1 A 39 39 LYS C C 39 178.123 177.395 0.728 1
1 513 . 4 1 1 A 39 39 LYS CA C 39 58.197 57.854 0.343 1
1 514 . 4 1 1 A 39 39 LYS CB C 39 32.466 31.609 0.857 1
1 518 . 4 1 1 A 39 39 LYS N N 39 118.917 120.157 -1.240 1
1 519 . 4 1 1 A 40 40 GLY H H 40 7.885 8.711 -0.826 1
1 520 . 4 1 1 A 40 40 GLY HA2 H 40 3.970 3.973 -0.003 1
1 521 . 4 1 1 A 40 40 GLY HA3 H 40 3.768 3.976 -0.208 1
1 522 . 4 1 1 A 40 40 GLY C C 40 174.349 173.954 0.395 1
1 523 . 4 1 1 A 40 40 GLY CA C 40 45.758 45.178 0.580 1
1 524 . 4 1 1 A 40 40 GLY N N 40 106.796 112.625 -5.829 1
1 525 . 4 1 1 A 41 41 PHE H H 41 7.859 7.967 -0.108 1
1 526 . 4 1 1 A 41 41 PHE HA H 41 4.455 4.697 -0.242 1
1 534 . 4 1 1 A 41 41 PHE C C 41 176.028 174.533 1.495 1
1 535 . 4 1 1 A 41 41 PHE CA C 41 58.735 56.454 2.281 1
1 536 . 4 1 1 A 41 41 PHE CB C 41 39.408 39.925 -0.517 1
1 542 . 4 1 1 A 41 41 PHE N N 41 120.317 121.740 -1.423 1
1 543 . 4 1 1 A 42 42 ARG H H 42 8.044 8.318 -0.274 1
1 544 . 4 1 1 A 42 42 ARG HA H 42 4.269 4.668 -0.399 1
1 551 . 4 1 1 A 42 42 ARG C C 42 176.487 174.739 1.748 1
1 552 . 4 1 1 A 42 42 ARG CA C 42 56.505 54.063 2.442 1
1 553 . 4 1 1 A 42 42 ARG CB C 42 30.801 33.684 -2.883 1
1 556 . 4 1 1 A 42 42 ARG N N 42 121.581 126.232 -4.651 1
1 557 . 4 1 1 A 43 43 SER H H 43 8.218 8.503 -0.285 1
1 558 . 4 1 1 A 43 43 SER HA H 43 4.389 4.736 -0.347 1
1 561 . 4 1 1 A 43 43 SER C C 43 174.872 172.960 1.912 1
1 562 . 4 1 1 A 43 43 SER CA C 43 58.809 57.435 1.374 1
1 563 . 4 1 1 A 43 43 SER CB C 43 63.615 66.326 -2.711 1
1 564 . 4 1 1 A 43 43 SER N N 43 116.338 116.625 -0.287 1
1 565 . 4 1 1 A 44 44 SER H H 44 8.247 8.787 -0.540 1
1 566 . 4 1 1 A 44 44 SER HA H 44 4.441 4.658 -0.217 1
1 569 . 4 1 1 A 44 44 SER C C 44 174.653 174.341 0.312 1
1 570 . 4 1 1 A 44 44 SER CA C 44 58.697 59.382 -0.685 1
1 571 . 4 1 1 A 44 44 SER CB C 44 63.743 63.135 0.608 1
1 572 . 4 1 1 A 44 44 SER N N 44 117.375 122.406 -5.031 1
1 573 . 4 1 1 A 45 45 MET H H 45 8.194 9.043 -0.849 1
1 574 . 4 1 1 A 45 45 MET HA H 45 4.417 5.138 -0.721 1
1 579 . 4 1 1 A 45 45 MET C C 45 176.033 175.155 0.878 1
1 580 . 4 1 1 A 45 45 MET CA C 45 55.795 53.822 1.973 1
1 581 . 4 1 1 A 45 45 MET CB C 45 32.840 34.344 -1.504 1
1 583 . 4 1 1 A 45 45 MET N N 45 122.021 125.570 -3.549 1
1 584 . 4 1 1 A 46 46 LYS H H 46 8.220 8.804 -0.584 1
1 585 . 4 1 1 A 46 46 LYS HA H 46 4.276 4.815 -0.539 1
1 594 . 4 1 1 A 46 46 LYS C C 46 176.299 176.297 0.002 1
1 595 . 4 1 1 A 46 46 LYS CA C 46 56.399 54.975 1.424 1
1 596 . 4 1 1 A 46 46 LYS CB C 46 32.834 33.575 -0.741 1
1 600 . 4 1 1 A 46 46 LYS N N 46 122.277 125.457 -3.180 1
1 601 . 4 1 1 A 47 47 LEU H H 47 8.210 8.433 -0.223 1
1 602 . 4 1 1 A 47 47 LEU HA H 47 4.299 4.691 -0.392 1
1 612 . 4 1 1 A 47 47 LEU C C 47 177.189 177.255 -0.066 1
1 613 . 4 1 1 A 47 47 LEU CA C 47 55.134 54.168 0.966 1
1 614 . 4 1 1 A 47 47 LEU CB C 47 42.301 42.864 -0.563 1
1 618 . 4 1 1 A 47 47 LEU N N 47 123.549 122.087 1.462 1
1 9 . 5 1 1 A 2 2 ILE HA H 2 4.350 4.851 -0.501 1
1 19 . 5 1 1 A 2 2 ILE C C 2 174.508 175.702 -1.194 1
1 20 . 5 1 1 A 2 2 ILE CA C 2 61.095 59.715 1.380 1
1 21 . 5 1 1 A 2 2 ILE CB C 2 39.193 40.607 -1.414 1
1 25 . 5 1 1 A 3 3 SER H H 3 8.112 8.558 -0.446 1
1 26 . 5 1 1 A 3 3 SER HA H 3 4.414 4.994 -0.580 1
1 29 . 5 1 1 A 3 3 SER C C 3 174.652 176.070 -1.418 1
1 30 . 5 1 1 A 3 3 SER CA C 3 57.714 55.737 1.977 1
1 31 . 5 1 1 A 3 3 SER CB C 3 64.725 66.616 -1.891 1
1 32 . 5 1 1 A 3 3 SER N N 3 119.280 119.999 -0.719 1
1 33 . 5 1 1 A 4 4 ASN H H 4 8.832 9.257 -0.425 1
1 34 . 5 1 1 A 4 4 ASN HA H 4 4.511 4.396 0.115 1
1 39 . 5 1 1 A 4 4 ASN C C 4 177.606 177.643 -0.037 1
1 40 . 5 1 1 A 4 4 ASN CA C 4 55.617 56.014 -0.397 1
1 41 . 5 1 1 A 4 4 ASN CB C 4 37.972 37.492 0.480 1
1 43 . 5 1 1 A 4 4 ASN N N 4 120.760 119.358 1.402 1
1 45 . 5 1 1 A 5 5 ALA H H 5 8.504 8.241 0.263 1
1 46 . 5 1 1 A 5 5 ALA HA H 5 4.191 4.044 0.147 1
1 50 . 5 1 1 A 5 5 ALA C C 5 180.504 179.614 0.890 1
1 51 . 5 1 1 A 5 5 ALA CA C 5 54.896 55.086 -0.190 1
1 52 . 5 1 1 A 5 5 ALA CB C 5 18.468 18.497 -0.029 1
1 53 . 5 1 1 A 5 5 ALA N N 5 123.401 121.921 1.480 1
1 54 . 5 1 1 A 6 6 LYS H H 6 7.844 7.745 0.099 1
1 55 . 5 1 1 A 6 6 LYS HA H 6 4.119 4.126 -0.007 1
1 64 . 5 1 1 A 6 6 LYS C C 6 178.320 179.756 -1.436 1
1 65 . 5 1 1 A 6 6 LYS CA C 6 59.550 59.069 0.481 1
1 66 . 5 1 1 A 6 6 LYS CB C 6 32.639 32.344 0.295 1
1 70 . 5 1 1 A 6 6 LYS N N 6 119.908 117.353 2.555 1
1 71 . 5 1 1 A 7 7 ILE H H 7 7.887 8.242 -0.355 1
1 72 . 5 1 1 A 7 7 ILE HA H 7 3.615 3.615 0.000 1
1 82 . 5 1 1 A 7 7 ILE C C 7 177.784 177.569 0.215 1
1 83 . 5 1 1 A 7 7 ILE CA C 7 64.351 65.980 -1.629 1
1 84 . 5 1 1 A 7 7 ILE CB C 7 37.623 37.824 -0.201 1
1 88 . 5 1 1 A 7 7 ILE N N 7 120.487 121.169 -0.682 1
1 89 . 5 1 1 A 8 8 ALA H H 8 8.062 8.335 -0.273 1
1 90 . 5 1 1 A 8 8 ALA HA H 8 4.160 3.860 0.300 1
1 94 . 5 1 1 A 8 8 ALA C C 8 180.625 179.463 1.162 1
1 95 . 5 1 1 A 8 8 ALA CA C 8 55.102 54.983 0.119 1
1 96 . 5 1 1 A 8 8 ALA CB C 8 17.517 18.229 -0.712 1
1 97 . 5 1 1 A 8 8 ALA N N 8 121.576 121.528 0.048 1
1 98 . 5 1 1 A 9 9 ARG H H 9 7.769 7.430 0.339 1
1 99 . 5 1 1 A 9 9 ARG HA H 9 4.226 4.126 0.100 1
1 107 . 5 1 1 A 9 9 ARG C C 9 178.076 178.693 -0.617 1
1 108 . 5 1 1 A 9 9 ARG CA C 9 57.517 58.766 -1.249 1
1 109 . 5 1 1 A 9 9 ARG CB C 9 29.638 29.945 -0.307 1
1 112 . 5 1 1 A 9 9 ARG N N 9 120.694 118.425 2.269 1
1 114 . 5 1 1 A 10 10 ILE H H 10 8.462 8.237 0.225 1
1 115 . 5 1 1 A 10 10 ILE HA H 10 3.576 3.518 0.058 1
1 125 . 5 1 1 A 10 10 ILE C C 10 179.221 177.891 1.330 1
1 126 . 5 1 1 A 10 10 ILE CA C 10 66.414 65.585 0.829 1
1 127 . 5 1 1 A 10 10 ILE CB C 10 37.872 37.684 0.188 1
1 131 . 5 1 1 A 10 10 ILE N N 10 121.475 119.767 1.708 1
1 132 . 5 1 1 A 11 11 ASN H H 11 8.161 8.301 -0.140 1
1 133 . 5 1 1 A 11 11 ASN HA H 11 4.485 4.401 0.084 1
1 138 . 5 1 1 A 11 11 ASN C C 11 178.124 177.966 0.158 1
1 139 . 5 1 1 A 11 11 ASN CA C 11 55.961 56.557 -0.596 1
1 140 . 5 1 1 A 11 11 ASN CB C 11 37.642 37.642 0.000 1
1 142 . 5 1 1 A 11 11 ASN N N 11 119.357 118.245 1.112 1
1 144 . 5 1 1 A 12 12 GLU H H 12 8.528 8.125 0.403 1
1 145 . 5 1 1 A 12 12 GLU HA H 12 4.111 4.030 0.081 1
1 150 . 5 1 1 A 12 12 GLU C C 12 179.650 179.369 0.281 1
1 151 . 5 1 1 A 12 12 GLU CA C 12 59.252 59.215 0.037 1
1 152 . 5 1 1 A 12 12 GLU CB C 12 30.026 29.416 0.610 1
1 154 . 5 1 1 A 12 12 GLU N N 12 124.689 119.873 4.816 1
1 155 . 5 1 1 A 13 13 LEU H H 13 8.669 8.153 0.516 1
1 156 . 5 1 1 A 13 13 LEU HA H 13 3.948 4.071 -0.123 1
1 166 . 5 1 1 A 13 13 LEU C C 13 178.491 179.568 -1.077 1
1 167 . 5 1 1 A 13 13 LEU CA C 13 57.835 57.508 0.327 1
1 168 . 5 1 1 A 13 13 LEU CB C 13 41.160 40.932 0.228 1
1 172 . 5 1 1 A 13 13 LEU N N 13 119.467 120.143 -0.676 1
1 173 . 5 1 1 A 14 14 ALA H H 14 8.326 8.377 -0.051 1
1 174 . 5 1 1 A 14 14 ALA HA H 14 4.076 4.011 0.065 1
1 178 . 5 1 1 A 14 14 ALA C C 14 180.903 179.399 1.504 1
1 179 . 5 1 1 A 14 14 ALA CA C 14 55.100 55.287 -0.187 1
1 180 . 5 1 1 A 14 14 ALA CB C 14 17.838 18.266 -0.428 1
1 181 . 5 1 1 A 14 14 ALA N N 14 122.290 122.508 -0.218 1
1 182 . 5 1 1 A 15 15 ALA H H 15 7.794 8.040 -0.246 1
1 183 . 5 1 1 A 15 15 ALA HA H 15 4.176 3.981 0.195 1
1 187 . 5 1 1 A 15 15 ALA C C 15 181.255 180.114 1.141 1
1 188 . 5 1 1 A 15 15 ALA CA C 15 55.196 55.237 -0.041 1
1 189 . 5 1 1 A 15 15 ALA CB C 15 17.568 18.296 -0.728 1
1 190 . 5 1 1 A 15 15 ALA N N 15 121.829 119.687 2.142 1
1 191 . 5 1 1 A 16 16 LYS H H 16 7.977 8.190 -0.213 1
1 192 . 5 1 1 A 16 16 LYS HA H 16 4.026 3.994 0.032 1
1 201 . 5 1 1 A 16 16 LYS C C 16 179.086 178.974 0.112 1
1 202 . 5 1 1 A 16 16 LYS CA C 16 59.878 59.705 0.173 1
1 203 . 5 1 1 A 16 16 LYS CB C 16 32.727 32.118 0.609 1
1 207 . 5 1 1 A 16 16 LYS N N 16 120.084 116.249 3.835 1
1 208 . 5 1 1 A 17 17 ALA H H 17 8.527 8.320 0.207 1
1 209 . 5 1 1 A 17 17 ALA HA H 17 4.026 4.084 -0.058 1
1 213 . 5 1 1 A 17 17 ALA C C 17 181.147 179.112 2.035 1
1 214 . 5 1 1 A 17 17 ALA CA C 17 54.993 55.309 -0.316 1
1 215 . 5 1 1 A 17 17 ALA CB C 17 17.858 18.671 -0.813 1
1 216 . 5 1 1 A 17 17 ALA N N 17 123.164 122.364 0.800 1
1 217 . 5 1 1 A 18 18 LYS H H 18 8.125 7.811 0.314 1
1 218 . 5 1 1 A 18 18 LYS HA H 18 4.053 3.990 0.063 1
1 227 . 5 1 1 A 18 18 LYS C C 18 177.994 178.193 -0.199 1
1 228 . 5 1 1 A 18 18 LYS CA C 18 58.961 58.828 0.133 1
1 229 . 5 1 1 A 18 18 LYS CB C 18 32.400 32.269 0.131 1
1 233 . 5 1 1 A 18 18 LYS N N 18 120.927 118.789 2.138 1
1 234 . 5 1 1 A 19 19 ALA H H 19 7.659 7.479 0.180 1
1 235 . 5 1 1 A 19 19 ALA HA H 19 4.355 4.305 0.050 1
1 239 . 5 1 1 A 19 19 ALA C C 19 177.769 177.878 -0.109 1
1 240 . 5 1 1 A 19 19 ALA CA C 19 52.453 52.236 0.217 1
1 241 . 5 1 1 A 19 19 ALA CB C 19 19.483 19.470 0.013 1
1 242 . 5 1 1 A 19 19 ALA N N 19 118.300 119.243 -0.943 1
1 243 . 5 1 1 A 20 20 GLY H H 20 7.758 7.856 -0.098 1
1 244 . 5 1 1 A 20 20 GLY HA2 H 20 4.180 3.945 0.235 1
1 245 . 5 1 1 A 20 20 GLY HA3 H 20 3.947 3.947 0.000 1
1 246 . 5 1 1 A 20 20 GLY C C 20 175.031 175.001 0.030 1
1 247 . 5 1 1 A 20 20 GLY CA C 20 45.907 46.018 -0.111 1
1 248 . 5 1 1 A 20 20 GLY N N 20 105.949 106.145 -0.196 1
1 249 . 5 1 1 A 21 21 VAL H H 21 7.678 7.855 -0.177 1
1 250 . 5 1 1 A 21 21 VAL HA H 21 4.608 4.450 0.158 1
1 258 . 5 1 1 A 21 21 VAL C C 21 175.837 175.154 0.683 1
1 259 . 5 1 1 A 21 21 VAL CA C 21 60.158 61.115 -0.957 1
1 260 . 5 1 1 A 21 21 VAL CB C 21 32.525 31.788 0.737 1
1 263 . 5 1 1 A 21 21 VAL N N 21 109.739 116.345 -6.606 1
1 264 . 5 1 1 A 22 22 ILE H H 22 6.842 7.408 -0.566 1
1 265 . 5 1 1 A 22 22 ILE HA H 22 4.347 4.522 -0.175 1
1 275 . 5 1 1 A 22 22 ILE C C 22 174.145 175.563 -1.418 1
1 276 . 5 1 1 A 22 22 ILE CA C 22 61.285 59.869 1.416 1
1 277 . 5 1 1 A 22 22 ILE CB C 22 40.142 40.059 0.083 1
1 281 . 5 1 1 A 22 22 ILE N N 22 124.020 124.358 -0.338 1
1 282 . 5 1 1 A 23 23 THR H H 23 9.104 8.650 0.454 1
1 283 . 5 1 1 A 23 23 THR HA H 23 4.597 4.703 -0.106 1
1 288 . 5 1 1 A 23 23 THR C C 23 175.820 175.995 -0.175 1
1 289 . 5 1 1 A 23 23 THR CA C 23 61.139 60.614 0.525 1
1 290 . 5 1 1 A 23 23 THR CB C 23 71.396 71.384 0.012 1
1 292 . 5 1 1 A 23 23 THR N N 23 120.184 117.650 2.534 1
1 293 . 5 1 1 A 24 24 GLU H H 24 9.011 9.065 -0.054 1
1 294 . 5 1 1 A 24 24 GLU HA H 24 3.965 4.009 -0.044 1
1 299 . 5 1 1 A 24 24 GLU C C 24 180.012 178.950 1.062 1
1 300 . 5 1 1 A 24 24 GLU CA C 24 60.049 59.894 0.155 1
1 301 . 5 1 1 A 24 24 GLU CB C 24 29.095 29.302 -0.207 1
1 303 . 5 1 1 A 24 24 GLU N N 24 120.289 121.531 -1.242 1
1 304 . 5 1 1 A 25 25 GLU H H 25 8.917 8.355 0.562 1
1 305 . 5 1 1 A 25 25 GLU HA H 25 4.116 4.028 0.088 1
1 310 . 5 1 1 A 25 25 GLU C C 25 180.164 179.063 1.101 1
1 311 . 5 1 1 A 25 25 GLU CA C 25 60.042 59.543 0.499 1
1 312 . 5 1 1 A 25 25 GLU CB C 25 29.131 29.063 0.068 1
1 314 . 5 1 1 A 25 25 GLU N N 25 120.676 119.784 0.892 1
1 315 . 5 1 1 A 26 26 GLU H H 26 7.837 8.005 -0.168 1
1 316 . 5 1 1 A 26 26 GLU HA H 26 4.074 4.034 0.040 1
1 321 . 5 1 1 A 26 26 GLU C C 26 179.093 179.301 -0.208 1
1 322 . 5 1 1 A 26 26 GLU CA C 26 58.684 59.158 -0.474 1
1 323 . 5 1 1 A 26 26 GLU CB C 26 30.606 29.122 1.484 1
1 325 . 5 1 1 A 26 26 GLU N N 26 121.997 117.957 4.040 1
1 326 . 5 1 1 A 27 27 LYS H H 27 8.659 8.305 0.354 1
1 327 . 5 1 1 A 27 27 LYS HA H 27 3.964 4.021 -0.057 1
1 336 . 5 1 1 A 27 27 LYS C C 27 179.776 179.112 0.664 1
1 337 . 5 1 1 A 27 27 LYS CA C 27 60.129 59.376 0.753 1
1 338 . 5 1 1 A 27 27 LYS CB C 27 32.537 32.299 0.238 1
1 342 . 5 1 1 A 27 27 LYS N N 27 121.367 119.838 1.529 1
1 343 . 5 1 1 A 28 28 ALA H H 28 7.648 8.246 -0.598 1
1 344 . 5 1 1 A 28 28 ALA HA H 28 4.216 4.062 0.154 1
1 348 . 5 1 1 A 28 28 ALA C C 28 180.525 178.865 1.660 1
1 349 . 5 1 1 A 28 28 ALA CA C 28 55.014 55.152 -0.138 1
1 350 . 5 1 1 A 28 28 ALA CB C 28 17.610 18.383 -0.773 1
1 351 . 5 1 1 A 28 28 ALA N N 28 122.685 122.191 0.494 1
1 352 . 5 1 1 A 29 29 GLU H H 29 7.915 8.379 -0.464 1
1 353 . 5 1 1 A 29 29 GLU HA H 29 3.971 4.049 -0.078 1
1 358 . 5 1 1 A 29 29 GLU C C 29 178.193 178.726 -0.533 1
1 359 . 5 1 1 A 29 29 GLU CA C 29 59.269 59.560 -0.291 1
1 360 . 5 1 1 A 29 29 GLU CB C 29 29.467 29.116 0.351 1
1 362 . 5 1 1 A 29 29 GLU N N 29 122.691 118.244 4.447 1
1 363 . 5 1 1 A 30 30 GLN H H 30 8.891 8.311 0.580 1
1 364 . 5 1 1 A 30 30 GLN HA H 30 3.805 3.972 -0.167 1
1 371 . 5 1 1 A 30 30 GLN C C 30 177.828 178.461 -0.633 1
1 372 . 5 1 1 A 30 30 GLN CA C 30 59.703 59.259 0.444 1
1 373 . 5 1 1 A 30 30 GLN CB C 30 29.404 28.172 1.232 1
1 376 . 5 1 1 A 30 30 GLN N N 30 119.325 118.606 0.719 1
1 378 . 5 1 1 A 31 31 GLN H H 31 7.874 7.902 -0.028 1
1 379 . 5 1 1 A 31 31 GLN HA H 31 4.085 3.984 0.101 1
1 386 . 5 1 1 A 31 31 GLN C C 31 178.371 177.902 0.469 1
1 387 . 5 1 1 A 31 31 GLN CA C 31 58.842 59.055 -0.213 1
1 388 . 5 1 1 A 31 31 GLN CB C 31 28.283 28.213 0.070 1
1 391 . 5 1 1 A 31 31 GLN N N 31 118.010 118.985 -0.975 1
1 393 . 5 1 1 A 32 32 LYS H H 32 7.739 7.912 -0.173 1
1 394 . 5 1 1 A 32 32 LYS HA H 32 4.096 4.008 0.088 1
1 403 . 5 1 1 A 32 32 LYS C C 32 179.952 179.112 0.840 1
1 404 . 5 1 1 A 32 32 LYS CA C 32 59.708 59.646 0.062 1
1 405 . 5 1 1 A 32 32 LYS CB C 32 32.403 32.536 -0.133 1
1 409 . 5 1 1 A 32 32 LYS N N 32 120.842 119.977 0.865 1
1 410 . 5 1 1 A 33 33 LEU H H 33 8.617 8.453 0.164 1
1 411 . 5 1 1 A 33 33 LEU HA H 33 4.153 3.960 0.193 1
1 421 . 5 1 1 A 33 33 LEU C C 33 179.446 179.464 -0.018 1
1 422 . 5 1 1 A 33 33 LEU CA C 33 57.774 57.986 -0.212 1
1 423 . 5 1 1 A 33 33 LEU CB C 33 42.585 40.923 1.662 1
1 427 . 5 1 1 A 33 33 LEU N N 33 120.088 119.655 0.433 1
1 428 . 5 1 1 A 34 34 ARG H H 34 8.413 8.171 0.242 1
1 429 . 5 1 1 A 34 34 ARG HA H 34 4.009 4.017 -0.008 1
1 436 . 5 1 1 A 34 34 ARG C C 34 178.614 179.117 -0.503 1
1 437 . 5 1 1 A 34 34 ARG CA C 34 59.839 59.406 0.433 1
1 438 . 5 1 1 A 34 34 ARG CB C 34 29.772 29.650 0.122 1
1 441 . 5 1 1 A 34 34 ARG N N 34 119.206 119.467 -0.261 1
1 442 . 5 1 1 A 35 35 GLN H H 35 7.850 7.947 -0.097 1
1 443 . 5 1 1 A 35 35 GLN HA H 35 4.085 4.178 -0.093 1
1 450 . 5 1 1 A 35 35 GLN C C 35 178.621 179.059 -0.438 1
1 451 . 5 1 1 A 35 35 GLN CA C 35 58.771 58.957 -0.186 1
1 452 . 5 1 1 A 35 35 GLN CB C 35 28.331 28.301 0.030 1
1 455 . 5 1 1 A 35 35 GLN N N 35 117.434 119.417 -1.983 1
1 457 . 5 1 1 A 36 36 GLU H H 36 7.939 8.100 -0.161 1
1 458 . 5 1 1 A 36 36 GLU HA H 36 4.015 4.051 -0.036 1
1 463 . 5 1 1 A 36 36 GLU C C 36 178.975 178.947 0.028 1
1 464 . 5 1 1 A 36 36 GLU CA C 36 59.271 59.437 -0.166 1
1 465 . 5 1 1 A 36 36 GLU CB C 36 29.750 29.622 0.128 1
1 467 . 5 1 1 A 36 36 GLU N N 36 119.554 121.003 -1.449 1
1 468 . 5 1 1 A 37 37 TYR H H 37 8.578 8.367 0.211 1
1 469 . 5 1 1 A 37 37 TYR HA H 37 4.164 4.106 0.058 1
1 476 . 5 1 1 A 37 37 TYR C C 37 177.550 177.177 0.373 1
1 477 . 5 1 1 A 37 37 TYR CA C 37 60.590 61.272 -0.682 1
1 478 . 5 1 1 A 37 37 TYR CB C 37 38.709 38.731 -0.022 1
1 483 . 5 1 1 A 37 37 TYR N N 37 120.782 121.824 -1.042 1
1 484 . 5 1 1 A 38 38 LEU H H 38 8.229 7.825 0.404 1
1 485 . 5 1 1 A 38 38 LEU HA H 38 4.072 4.379 -0.307 1
1 495 . 5 1 1 A 38 38 LEU C C 38 178.983 177.365 1.618 1
1 496 . 5 1 1 A 38 38 LEU CA C 38 57.053 56.592 0.461 1
1 497 . 5 1 1 A 38 38 LEU CB C 38 42.020 42.046 -0.026 1
1 501 . 5 1 1 A 38 38 LEU N N 38 119.275 119.585 -0.310 1
1 502 . 5 1 1 A 39 39 LYS H H 39 7.790 7.149 0.641 1
1 503 . 5 1 1 A 39 39 LYS HA H 39 4.152 4.161 -0.009 1
1 512 . 5 1 1 A 39 39 LYS C C 39 178.123 177.470 0.653 1
1 513 . 5 1 1 A 39 39 LYS CA C 39 58.197 58.361 -0.164 1
1 514 . 5 1 1 A 39 39 LYS CB C 39 32.466 32.033 0.433 1
1 518 . 5 1 1 A 39 39 LYS N N 39 118.917 120.529 -1.612 1
1 519 . 5 1 1 A 40 40 GLY H H 40 7.885 9.023 -1.138 1
1 520 . 5 1 1 A 40 40 GLY HA2 H 40 3.970 4.007 -0.037 1
1 521 . 5 1 1 A 40 40 GLY HA3 H 40 3.768 4.009 -0.241 1
1 522 . 5 1 1 A 40 40 GLY C C 40 174.349 175.116 -0.767 1
1 523 . 5 1 1 A 40 40 GLY CA C 40 45.758 45.261 0.497 1
1 524 . 5 1 1 A 40 40 GLY N N 40 106.796 113.321 -6.525 1
1 525 . 5 1 1 A 41 41 PHE H H 41 7.859 8.166 -0.307 1
1 526 . 5 1 1 A 41 41 PHE HA H 41 4.455 4.100 0.355 1
1 534 . 5 1 1 A 41 41 PHE C C 41 176.028 177.601 -1.573 1
1 535 . 5 1 1 A 41 41 PHE CA C 41 58.735 60.682 -1.947 1
1 536 . 5 1 1 A 41 41 PHE CB C 41 39.408 39.205 0.203 1
1 542 . 5 1 1 A 41 41 PHE N N 41 120.317 122.477 -2.160 1
1 543 . 5 1 1 A 42 42 ARG H H 42 8.044 7.583 0.461 1
1 544 . 5 1 1 A 42 42 ARG HA H 42 4.269 4.094 0.175 1
1 551 . 5 1 1 A 42 42 ARG C C 42 176.487 176.218 0.269 1
1 552 . 5 1 1 A 42 42 ARG CA C 42 56.505 58.454 -1.949 1
1 553 . 5 1 1 A 42 42 ARG CB C 42 30.801 30.655 0.146 1
1 556 . 5 1 1 A 42 42 ARG N N 42 121.581 118.013 3.568 1
1 557 . 5 1 1 A 43 43 SER H H 43 8.218 8.097 0.121 1
1 558 . 5 1 1 A 43 43 SER HA H 43 4.389 4.065 0.324 1
1 561 . 5 1 1 A 43 43 SER C C 43 174.872 173.582 1.290 1
1 562 . 5 1 1 A 43 43 SER CA C 43 58.809 59.389 -0.580 1
1 563 . 5 1 1 A 43 43 SER CB C 43 63.615 61.951 1.664 1
1 564 . 5 1 1 A 43 43 SER N N 43 116.338 114.251 2.087 1
1 565 . 5 1 1 A 44 44 SER H H 44 8.247 8.642 -0.395 1
1 566 . 5 1 1 A 44 44 SER HA H 44 4.441 4.152 0.289 1
1 569 . 5 1 1 A 44 44 SER C C 44 174.653 173.776 0.877 1
1 570 . 5 1 1 A 44 44 SER CA C 44 58.697 59.487 -0.790 1
1 571 . 5 1 1 A 44 44 SER CB C 44 63.743 61.128 2.615 1
1 572 . 5 1 1 A 44 44 SER N N 44 117.375 113.796 3.579 1
1 573 . 5 1 1 A 45 45 MET H H 45 8.194 7.984 0.210 1
1 574 . 5 1 1 A 45 45 MET HA H 45 4.417 4.431 -0.014 1
1 579 . 5 1 1 A 45 45 MET C C 45 176.033 176.340 -0.307 1
1 580 . 5 1 1 A 45 45 MET CA C 45 55.795 55.280 0.515 1
1 581 . 5 1 1 A 45 45 MET CB C 45 32.840 33.653 -0.813 1
1 583 . 5 1 1 A 45 45 MET N N 45 122.021 121.656 0.365 1
1 584 . 5 1 1 A 46 46 LYS H H 46 8.220 8.936 -0.716 1
1 585 . 5 1 1 A 46 46 LYS HA H 46 4.276 3.920 0.356 1
1 594 . 5 1 1 A 46 46 LYS C C 46 176.299 175.819 0.480 1
1 595 . 5 1 1 A 46 46 LYS CA C 46 56.399 57.156 -0.757 1
1 596 . 5 1 1 A 46 46 LYS CB C 46 32.834 30.947 1.887 1
1 600 . 5 1 1 A 46 46 LYS N N 46 122.277 125.841 -3.564 1
1 601 . 5 1 1 A 47 47 LEU H H 47 8.210 7.985 0.225 1
1 602 . 5 1 1 A 47 47 LEU HA H 47 4.299 5.039 -0.740 1
1 612 . 5 1 1 A 47 47 LEU C C 47 177.189 174.920 2.269 1
1 613 . 5 1 1 A 47 47 LEU CA C 47 55.134 53.674 1.460 1
1 614 . 5 1 1 A 47 47 LEU CB C 47 42.301 45.110 -2.809 1
1 618 . 5 1 1 A 47 47 LEU N N 47 123.549 126.706 -3.157 1
1 9 . 6 1 1 A 2 2 ILE HA H 2 4.350 4.250 0.100 1
1 19 . 6 1 1 A 2 2 ILE C C 2 174.508 176.147 -1.639 1
1 20 . 6 1 1 A 2 2 ILE CA C 2 61.095 62.444 -1.349 1
1 21 . 6 1 1 A 2 2 ILE CB C 2 39.193 38.626 0.567 1
1 25 . 6 1 1 A 3 3 SER H H 3 8.112 8.685 -0.573 1
1 26 . 6 1 1 A 3 3 SER HA H 3 4.414 4.436 -0.022 1
1 29 . 6 1 1 A 3 3 SER C C 3 174.652 175.106 -0.454 1
1 30 . 6 1 1 A 3 3 SER CA C 3 57.714 59.431 -1.717 1
1 31 . 6 1 1 A 3 3 SER CB C 3 64.725 63.599 1.126 1
1 32 . 6 1 1 A 3 3 SER N N 3 119.280 124.655 -5.375 1
1 33 . 6 1 1 A 4 4 ASN H H 4 8.832 9.043 -0.211 1
1 34 . 6 1 1 A 4 4 ASN HA H 4 4.511 4.400 0.111 1
1 39 . 6 1 1 A 4 4 ASN C C 4 177.606 177.051 0.555 1
1 40 . 6 1 1 A 4 4 ASN CA C 4 55.617 56.545 -0.928 1
1 41 . 6 1 1 A 4 4 ASN CB C 4 37.972 38.338 -0.366 1
1 43 . 6 1 1 A 4 4 ASN N N 4 120.760 123.749 -2.989 1
1 45 . 6 1 1 A 5 5 ALA H H 5 8.504 8.269 0.235 1
1 46 . 6 1 1 A 5 5 ALA HA H 5 4.191 4.066 0.125 1
1 50 . 6 1 1 A 5 5 ALA C C 5 180.504 179.467 1.037 1
1 51 . 6 1 1 A 5 5 ALA CA C 5 54.896 55.069 -0.173 1
1 52 . 6 1 1 A 5 5 ALA CB C 5 18.468 18.384 0.084 1
1 53 . 6 1 1 A 5 5 ALA N N 5 123.401 121.459 1.942 1
1 54 . 6 1 1 A 6 6 LYS H H 6 7.844 7.852 -0.008 1
1 55 . 6 1 1 A 6 6 LYS HA H 6 4.119 4.084 0.035 1
1 64 . 6 1 1 A 6 6 LYS C C 6 178.320 179.611 -1.291 1
1 65 . 6 1 1 A 6 6 LYS CA C 6 59.550 59.195 0.355 1
1 66 . 6 1 1 A 6 6 LYS CB C 6 32.639 32.383 0.256 1
1 70 . 6 1 1 A 6 6 LYS N N 6 119.908 117.604 2.304 1
1 71 . 6 1 1 A 7 7 ILE H H 7 7.887 8.033 -0.146 1
1 72 . 6 1 1 A 7 7 ILE HA H 7 3.615 3.682 -0.067 1
1 82 . 6 1 1 A 7 7 ILE C C 7 177.784 177.554 0.230 1
1 83 . 6 1 1 A 7 7 ILE CA C 7 64.351 65.875 -1.524 1
1 84 . 6 1 1 A 7 7 ILE CB C 7 37.623 37.876 -0.253 1
1 88 . 6 1 1 A 7 7 ILE N N 7 120.487 121.281 -0.794 1
1 89 . 6 1 1 A 8 8 ALA H H 8 8.062 8.264 -0.202 1
1 90 . 6 1 1 A 8 8 ALA HA H 8 4.160 3.938 0.222 1
1 94 . 6 1 1 A 8 8 ALA C C 8 180.625 179.123 1.502 1
1 95 . 6 1 1 A 8 8 ALA CA C 8 55.102 55.432 -0.330 1
1 96 . 6 1 1 A 8 8 ALA CB C 8 17.517 18.160 -0.643 1
1 97 . 6 1 1 A 8 8 ALA N N 8 121.576 121.635 -0.059 1
1 98 . 6 1 1 A 9 9 ARG H H 9 7.769 7.814 -0.045 1
1 99 . 6 1 1 A 9 9 ARG HA H 9 4.226 4.126 0.100 1
1 107 . 6 1 1 A 9 9 ARG C C 9 178.076 178.801 -0.725 1
1 108 . 6 1 1 A 9 9 ARG CA C 9 57.517 58.640 -1.123 1
1 109 . 6 1 1 A 9 9 ARG CB C 9 29.638 29.928 -0.290 1
1 112 . 6 1 1 A 9 9 ARG N N 9 120.694 118.582 2.112 1
1 114 . 6 1 1 A 10 10 ILE H H 10 8.462 8.212 0.250 1
1 115 . 6 1 1 A 10 10 ILE HA H 10 3.576 3.476 0.100 1
1 125 . 6 1 1 A 10 10 ILE C C 10 179.221 177.691 1.530 1
1 126 . 6 1 1 A 10 10 ILE CA C 10 66.414 65.700 0.714 1
1 127 . 6 1 1 A 10 10 ILE CB C 10 37.872 37.890 -0.018 1
1 131 . 6 1 1 A 10 10 ILE N N 10 121.475 120.007 1.468 1
1 132 . 6 1 1 A 11 11 ASN H H 11 8.161 8.089 0.072 1
1 133 . 6 1 1 A 11 11 ASN HA H 11 4.485 4.416 0.069 1
1 138 . 6 1 1 A 11 11 ASN C C 11 178.124 177.995 0.129 1
1 139 . 6 1 1 A 11 11 ASN CA C 11 55.961 56.640 -0.679 1
1 140 . 6 1 1 A 11 11 ASN CB C 11 37.642 37.776 -0.134 1
1 142 . 6 1 1 A 11 11 ASN N N 11 119.357 118.282 1.075 1
1 144 . 6 1 1 A 12 12 GLU H H 12 8.528 8.164 0.364 1
1 145 . 6 1 1 A 12 12 GLU HA H 12 4.111 4.035 0.076 1
1 150 . 6 1 1 A 12 12 GLU C C 12 179.650 179.367 0.283 1
1 151 . 6 1 1 A 12 12 GLU CA C 12 59.252 59.069 0.183 1
1 152 . 6 1 1 A 12 12 GLU CB C 12 30.026 29.491 0.535 1
1 154 . 6 1 1 A 12 12 GLU N N 12 124.689 119.408 5.281 1
1 155 . 6 1 1 A 13 13 LEU H H 13 8.669 8.323 0.346 1
1 156 . 6 1 1 A 13 13 LEU HA H 13 3.948 4.150 -0.202 1
1 166 . 6 1 1 A 13 13 LEU C C 13 178.491 179.291 -0.800 1
1 167 . 6 1 1 A 13 13 LEU CA C 13 57.835 57.511 0.324 1
1 168 . 6 1 1 A 13 13 LEU CB C 13 41.160 41.099 0.061 1
1 172 . 6 1 1 A 13 13 LEU N N 13 119.467 120.178 -0.711 1
1 173 . 6 1 1 A 14 14 ALA H H 14 8.326 8.485 -0.159 1
1 174 . 6 1 1 A 14 14 ALA HA H 14 4.076 3.990 0.086 1
1 178 . 6 1 1 A 14 14 ALA C C 14 180.903 179.144 1.759 1
1 179 . 6 1 1 A 14 14 ALA CA C 14 55.100 55.437 -0.337 1
1 180 . 6 1 1 A 14 14 ALA CB C 14 17.838 17.810 0.028 1
1 181 . 6 1 1 A 14 14 ALA N N 14 122.290 122.525 -0.235 1
1 182 . 6 1 1 A 15 15 ALA H H 15 7.794 7.821 -0.027 1
1 183 . 6 1 1 A 15 15 ALA HA H 15 4.176 4.019 0.157 1
1 187 . 6 1 1 A 15 15 ALA C C 15 181.255 180.116 1.139 1
1 188 . 6 1 1 A 15 15 ALA CA C 15 55.196 55.409 -0.213 1
1 189 . 6 1 1 A 15 15 ALA CB C 15 17.568 18.368 -0.800 1
1 190 . 6 1 1 A 15 15 ALA N N 15 121.829 120.468 1.361 1
1 191 . 6 1 1 A 16 16 LYS H H 16 7.977 8.000 -0.023 1
1 192 . 6 1 1 A 16 16 LYS HA H 16 4.026 4.000 0.026 1
1 201 . 6 1 1 A 16 16 LYS C C 16 179.086 178.729 0.357 1
1 202 . 6 1 1 A 16 16 LYS CA C 16 59.878 59.244 0.634 1
1 203 . 6 1 1 A 16 16 LYS CB C 16 32.727 32.240 0.487 1
1 207 . 6 1 1 A 16 16 LYS N N 16 120.084 116.947 3.137 1
1 208 . 6 1 1 A 17 17 ALA H H 17 8.527 8.185 0.342 1
1 209 . 6 1 1 A 17 17 ALA HA H 17 4.026 4.105 -0.079 1
1 213 . 6 1 1 A 17 17 ALA C C 17 181.147 180.000 1.147 1
1 214 . 6 1 1 A 17 17 ALA CA C 17 54.993 55.475 -0.482 1
1 215 . 6 1 1 A 17 17 ALA CB C 17 17.858 18.469 -0.611 1
1 216 . 6 1 1 A 17 17 ALA N N 17 123.164 121.973 1.191 1
1 217 . 6 1 1 A 18 18 LYS H H 18 8.125 8.205 -0.080 1
1 218 . 6 1 1 A 18 18 LYS HA H 18 4.053 4.059 -0.006 1
1 227 . 6 1 1 A 18 18 LYS C C 18 177.994 177.887 0.107 1
1 228 . 6 1 1 A 18 18 LYS CA C 18 58.961 58.470 0.491 1
1 229 . 6 1 1 A 18 18 LYS CB C 18 32.400 32.246 0.154 1
1 233 . 6 1 1 A 18 18 LYS N N 18 120.927 117.606 3.321 1
1 234 . 6 1 1 A 19 19 ALA H H 19 7.659 7.676 -0.017 1
1 235 . 6 1 1 A 19 19 ALA HA H 19 4.355 4.346 0.009 1
1 239 . 6 1 1 A 19 19 ALA C C 19 177.769 177.991 -0.222 1
1 240 . 6 1 1 A 19 19 ALA CA C 19 52.453 52.114 0.339 1
1 241 . 6 1 1 A 19 19 ALA CB C 19 19.483 19.735 -0.252 1
1 242 . 6 1 1 A 19 19 ALA N N 19 118.300 118.932 -0.632 1
1 243 . 6 1 1 A 20 20 GLY H H 20 7.758 7.663 0.095 1
1 244 . 6 1 1 A 20 20 GLY HA2 H 20 4.180 3.958 0.222 1
1 245 . 6 1 1 A 20 20 GLY HA3 H 20 3.947 3.959 -0.012 1
1 246 . 6 1 1 A 20 20 GLY C C 20 175.031 175.026 0.005 1
1 247 . 6 1 1 A 20 20 GLY CA C 20 45.907 46.173 -0.266 1
1 248 . 6 1 1 A 20 20 GLY N N 20 105.949 106.325 -0.376 1
1 249 . 6 1 1 A 21 21 VAL H H 21 7.678 7.942 -0.264 1
1 250 . 6 1 1 A 21 21 VAL HA H 21 4.608 4.502 0.106 1
1 258 . 6 1 1 A 21 21 VAL C C 21 175.837 175.258 0.579 1
1 259 . 6 1 1 A 21 21 VAL CA C 21 60.158 61.166 -1.008 1
1 260 . 6 1 1 A 21 21 VAL CB C 21 32.525 31.882 0.643 1
1 263 . 6 1 1 A 21 21 VAL N N 21 109.739 116.196 -6.457 1
1 264 . 6 1 1 A 22 22 ILE H H 22 6.842 7.045 -0.203 1
1 265 . 6 1 1 A 22 22 ILE HA H 22 4.347 4.202 0.145 1
1 275 . 6 1 1 A 22 22 ILE C C 22 174.145 175.456 -1.311 1
1 276 . 6 1 1 A 22 22 ILE CA C 22 61.285 61.314 -0.029 1
1 277 . 6 1 1 A 22 22 ILE CB C 22 40.142 39.317 0.825 1
1 281 . 6 1 1 A 22 22 ILE N N 22 124.020 124.698 -0.678 1
1 282 . 6 1 1 A 23 23 THR H H 23 9.104 8.099 1.005 1
1 283 . 6 1 1 A 23 23 THR HA H 23 4.597 4.611 -0.014 1
1 288 . 6 1 1 A 23 23 THR C C 23 175.820 175.912 -0.092 1
1 289 . 6 1 1 A 23 23 THR CA C 23 61.139 60.771 0.368 1
1 290 . 6 1 1 A 23 23 THR CB C 23 71.396 70.829 0.567 1
1 292 . 6 1 1 A 23 23 THR N N 23 120.184 118.151 2.033 1
1 293 . 6 1 1 A 24 24 GLU H H 24 9.011 9.074 -0.063 1
1 294 . 6 1 1 A 24 24 GLU HA H 24 3.965 4.063 -0.098 1
1 299 . 6 1 1 A 24 24 GLU C C 24 180.012 178.615 1.397 1
1 300 . 6 1 1 A 24 24 GLU CA C 24 60.049 59.414 0.635 1
1 301 . 6 1 1 A 24 24 GLU CB C 24 29.095 29.248 -0.153 1
1 303 . 6 1 1 A 24 24 GLU N N 24 120.289 121.601 -1.312 1
1 304 . 6 1 1 A 25 25 GLU H H 25 8.917 8.214 0.703 1
1 305 . 6 1 1 A 25 25 GLU HA H 25 4.116 4.110 0.006 1
1 310 . 6 1 1 A 25 25 GLU C C 25 180.164 179.345 0.819 1
1 311 . 6 1 1 A 25 25 GLU CA C 25 60.042 59.050 0.992 1
1 312 . 6 1 1 A 25 25 GLU CB C 25 29.131 29.404 -0.273 1
1 314 . 6 1 1 A 25 25 GLU N N 25 120.676 120.429 0.247 1
1 315 . 6 1 1 A 26 26 GLU H H 26 7.837 7.979 -0.142 1
1 316 . 6 1 1 A 26 26 GLU HA H 26 4.074 4.111 -0.037 1
1 321 . 6 1 1 A 26 26 GLU C C 26 179.093 179.453 -0.360 1
1 322 . 6 1 1 A 26 26 GLU CA C 26 58.684 58.894 -0.210 1
1 323 . 6 1 1 A 26 26 GLU CB C 26 30.606 29.183 1.423 1
1 325 . 6 1 1 A 26 26 GLU N N 26 121.997 120.455 1.542 1
1 326 . 6 1 1 A 27 27 LYS H H 27 8.659 8.294 0.365 1
1 327 . 6 1 1 A 27 27 LYS HA H 27 3.964 4.004 -0.040 1
1 336 . 6 1 1 A 27 27 LYS C C 27 179.776 178.948 0.828 1
1 337 . 6 1 1 A 27 27 LYS CA C 27 60.129 59.333 0.796 1
1 338 . 6 1 1 A 27 27 LYS CB C 27 32.537 32.281 0.256 1
1 342 . 6 1 1 A 27 27 LYS N N 27 121.367 120.273 1.094 1
1 343 . 6 1 1 A 28 28 ALA H H 28 7.648 8.094 -0.446 1
1 344 . 6 1 1 A 28 28 ALA HA H 28 4.216 4.063 0.153 1
1 348 . 6 1 1 A 28 28 ALA C C 28 180.525 179.102 1.423 1
1 349 . 6 1 1 A 28 28 ALA CA C 28 55.014 55.309 -0.295 1
1 350 . 6 1 1 A 28 28 ALA CB C 28 17.610 18.263 -0.653 1
1 351 . 6 1 1 A 28 28 ALA N N 28 122.685 122.521 0.164 1
1 352 . 6 1 1 A 29 29 GLU H H 29 7.915 8.282 -0.367 1
1 353 . 6 1 1 A 29 29 GLU HA H 29 3.971 3.985 -0.014 1
1 358 . 6 1 1 A 29 29 GLU C C 29 178.193 178.751 -0.558 1
1 359 . 6 1 1 A 29 29 GLU CA C 29 59.269 59.714 -0.445 1
1 360 . 6 1 1 A 29 29 GLU CB C 29 29.467 28.924 0.543 1
1 362 . 6 1 1 A 29 29 GLU N N 29 122.691 118.090 4.601 1
1 363 . 6 1 1 A 30 30 GLN H H 30 8.891 8.502 0.389 1
1 364 . 6 1 1 A 30 30 GLN HA H 30 3.805 3.978 -0.173 1
1 371 . 6 1 1 A 30 30 GLN C C 30 177.828 178.446 -0.618 1
1 372 . 6 1 1 A 30 30 GLN CA C 30 59.703 59.192 0.511 1
1 373 . 6 1 1 A 30 30 GLN CB C 30 29.404 28.364 1.040 1
1 376 . 6 1 1 A 30 30 GLN N N 30 119.325 119.136 0.189 1
1 378 . 6 1 1 A 31 31 GLN H H 31 7.874 7.665 0.209 1
1 379 . 6 1 1 A 31 31 GLN HA H 31 4.085 3.971 0.114 1
1 386 . 6 1 1 A 31 31 GLN C C 31 178.371 178.504 -0.133 1
1 387 . 6 1 1 A 31 31 GLN CA C 31 58.842 59.092 -0.250 1
1 388 . 6 1 1 A 31 31 GLN CB C 31 28.283 28.187 0.096 1
1 391 . 6 1 1 A 31 31 GLN N N 31 118.010 118.713 -0.703 1
1 393 . 6 1 1 A 32 32 LYS H H 32 7.739 7.633 0.106 1
1 394 . 6 1 1 A 32 32 LYS HA H 32 4.096 4.066 0.030 1
1 403 . 6 1 1 A 32 32 LYS C C 32 179.952 178.924 1.028 1
1 404 . 6 1 1 A 32 32 LYS CA C 32 59.708 59.529 0.179 1
1 405 . 6 1 1 A 32 32 LYS CB C 32 32.403 32.150 0.253 1
1 409 . 6 1 1 A 32 32 LYS N N 32 120.842 120.530 0.312 1
1 410 . 6 1 1 A 33 33 LEU H H 33 8.617 8.391 0.226 1
1 411 . 6 1 1 A 33 33 LEU HA H 33 4.153 3.976 0.177 1
1 421 . 6 1 1 A 33 33 LEU C C 33 179.446 179.554 -0.108 1
1 422 . 6 1 1 A 33 33 LEU CA C 33 57.774 58.025 -0.251 1
1 423 . 6 1 1 A 33 33 LEU CB C 33 42.585 41.782 0.803 1
1 427 . 6 1 1 A 33 33 LEU N N 33 120.088 119.629 0.459 1
1 428 . 6 1 1 A 34 34 ARG H H 34 8.413 8.452 -0.039 1
1 429 . 6 1 1 A 34 34 ARG HA H 34 4.009 4.005 0.004 1
1 436 . 6 1 1 A 34 34 ARG C C 34 178.614 179.028 -0.414 1
1 437 . 6 1 1 A 34 34 ARG CA C 34 59.839 59.486 0.353 1
1 438 . 6 1 1 A 34 34 ARG CB C 34 29.772 29.680 0.092 1
1 441 . 6 1 1 A 34 34 ARG N N 34 119.206 119.671 -0.465 1
1 442 . 6 1 1 A 35 35 GLN H H 35 7.850 7.651 0.199 1
1 443 . 6 1 1 A 35 35 GLN HA H 35 4.085 4.129 -0.044 1
1 450 . 6 1 1 A 35 35 GLN C C 35 178.621 179.111 -0.490 1
1 451 . 6 1 1 A 35 35 GLN CA C 35 58.771 59.006 -0.235 1
1 452 . 6 1 1 A 35 35 GLN CB C 35 28.331 28.554 -0.223 1
1 455 . 6 1 1 A 35 35 GLN N N 35 117.434 119.334 -1.900 1
1 457 . 6 1 1 A 36 36 GLU H H 36 7.939 8.139 -0.200 1
1 458 . 6 1 1 A 36 36 GLU HA H 36 4.015 4.049 -0.034 1
1 463 . 6 1 1 A 36 36 GLU C C 36 178.975 178.940 0.035 1
1 464 . 6 1 1 A 36 36 GLU CA C 36 59.271 59.475 -0.204 1
1 465 . 6 1 1 A 36 36 GLU CB C 36 29.750 29.418 0.332 1
1 467 . 6 1 1 A 36 36 GLU N N 36 119.554 120.504 -0.950 1
1 468 . 6 1 1 A 37 37 TYR H H 37 8.578 8.354 0.224 1
1 469 . 6 1 1 A 37 37 TYR HA H 37 4.164 4.104 0.060 1
1 476 . 6 1 1 A 37 37 TYR C C 37 177.550 177.131 0.419 1
1 477 . 6 1 1 A 37 37 TYR CA C 37 60.590 60.926 -0.336 1
1 478 . 6 1 1 A 37 37 TYR CB C 37 38.709 38.547 0.162 1
1 483 . 6 1 1 A 37 37 TYR N N 37 120.782 122.231 -1.449 1
1 484 . 6 1 1 A 38 38 LEU H H 38 8.229 7.809 0.420 1
1 485 . 6 1 1 A 38 38 LEU HA H 38 4.072 4.314 -0.242 1
1 495 . 6 1 1 A 38 38 LEU C C 38 178.983 177.286 1.697 1
1 496 . 6 1 1 A 38 38 LEU CA C 38 57.053 55.302 1.751 1
1 497 . 6 1 1 A 38 38 LEU CB C 38 42.020 42.309 -0.289 1
1 501 . 6 1 1 A 38 38 LEU N N 38 119.275 119.246 0.029 1
1 502 . 6 1 1 A 39 39 LYS H H 39 7.790 7.169 0.621 1
1 503 . 6 1 1 A 39 39 LYS HA H 39 4.152 4.152 0.000 1
1 512 . 6 1 1 A 39 39 LYS C C 39 178.123 177.414 0.709 1
1 513 . 6 1 1 A 39 39 LYS CA C 39 58.197 58.620 -0.423 1
1 514 . 6 1 1 A 39 39 LYS CB C 39 32.466 32.085 0.381 1
1 518 . 6 1 1 A 39 39 LYS N N 39 118.917 120.802 -1.885 1
1 519 . 6 1 1 A 40 40 GLY H H 40 7.885 9.012 -1.127 1
1 520 . 6 1 1 A 40 40 GLY HA2 H 40 3.970 3.987 -0.017 1
1 521 . 6 1 1 A 40 40 GLY HA3 H 40 3.768 3.991 -0.223 1
1 522 . 6 1 1 A 40 40 GLY C C 40 174.349 174.327 0.022 1
1 523 . 6 1 1 A 40 40 GLY CA C 40 45.758 45.181 0.577 1
1 524 . 6 1 1 A 40 40 GLY N N 40 106.796 112.536 -5.740 1
1 525 . 6 1 1 A 41 41 PHE H H 41 7.859 8.004 -0.145 1
1 526 . 6 1 1 A 41 41 PHE HA H 41 4.455 4.258 0.197 1
1 534 . 6 1 1 A 41 41 PHE C C 41 176.028 175.897 0.131 1
1 535 . 6 1 1 A 41 41 PHE CA C 41 58.735 58.729 0.006 1
1 536 . 6 1 1 A 41 41 PHE CB C 41 39.408 39.111 0.297 1
1 542 . 6 1 1 A 41 41 PHE N N 41 120.317 121.920 -1.603 1
1 543 . 6 1 1 A 42 42 ARG H H 42 8.044 8.495 -0.451 1
1 544 . 6 1 1 A 42 42 ARG HA H 42 4.269 3.583 0.686 1
1 551 . 6 1 1 A 42 42 ARG C C 42 176.487 174.388 2.099 1
1 552 . 6 1 1 A 42 42 ARG CA C 42 56.505 56.978 -0.473 1
1 553 . 6 1 1 A 42 42 ARG CB C 42 30.801 26.797 4.004 1
1 556 . 6 1 1 A 42 42 ARG N N 42 121.581 121.753 -0.172 1
1 557 . 6 1 1 A 43 43 SER H H 43 8.218 7.187 1.031 1
1 558 . 6 1 1 A 43 43 SER HA H 43 4.389 4.807 -0.418 1
1 561 . 6 1 1 A 43 43 SER C C 43 174.872 173.457 1.415 1
1 562 . 6 1 1 A 43 43 SER CA C 43 58.809 55.884 2.925 1
1 563 . 6 1 1 A 43 43 SER CB C 43 63.615 65.890 -2.275 1
1 564 . 6 1 1 A 43 43 SER N N 43 116.338 113.707 2.631 1
1 565 . 6 1 1 A 44 44 SER H H 44 8.247 8.556 -0.309 1
1 566 . 6 1 1 A 44 44 SER HA H 44 4.441 4.606 -0.165 1
1 569 . 6 1 1 A 44 44 SER C C 44 174.653 173.771 0.882 1
1 570 . 6 1 1 A 44 44 SER CA C 44 58.697 58.793 -0.096 1
1 571 . 6 1 1 A 44 44 SER CB C 44 63.743 62.745 0.998 1
1 572 . 6 1 1 A 44 44 SER N N 44 117.375 119.954 -2.579 1
1 573 . 6 1 1 A 45 45 MET H H 45 8.194 8.606 -0.412 1
1 574 . 6 1 1 A 45 45 MET HA H 45 4.417 4.461 -0.044 1
1 579 . 6 1 1 A 45 45 MET C C 45 176.033 177.826 -1.793 1
1 580 . 6 1 1 A 45 45 MET CA C 45 55.795 55.774 0.021 1
1 581 . 6 1 1 A 45 45 MET CB C 45 32.840 33.491 -0.651 1
1 583 . 6 1 1 A 45 45 MET N N 45 122.021 125.811 -3.790 1
1 584 . 6 1 1 A 46 46 LYS H H 46 8.220 8.841 -0.621 1
1 585 . 6 1 1 A 46 46 LYS HA H 46 4.276 4.426 -0.150 1
1 594 . 6 1 1 A 46 46 LYS C C 46 176.299 175.434 0.865 1
1 595 . 6 1 1 A 46 46 LYS CA C 46 56.399 56.675 -0.276 1
1 596 . 6 1 1 A 46 46 LYS CB C 46 32.834 32.307 0.527 1
1 600 . 6 1 1 A 46 46 LYS N N 46 122.277 122.280 -0.003 1
1 601 . 6 1 1 A 47 47 LEU H H 47 8.210 7.525 0.685 1
1 602 . 6 1 1 A 47 47 LEU HA H 47 4.299 4.933 -0.634 1
1 612 . 6 1 1 A 47 47 LEU C C 47 177.189 174.854 2.335 1
1 613 . 6 1 1 A 47 47 LEU CA C 47 55.134 53.174 1.960 1
1 614 . 6 1 1 A 47 47 LEU CB C 47 42.301 45.546 -3.245 1
1 618 . 6 1 1 A 47 47 LEU N N 47 123.549 116.585 6.964 1
1 9 . 7 1 1 A 2 2 ILE HA H 2 4.350 4.954 -0.604 1
1 19 . 7 1 1 A 2 2 ILE C C 2 174.508 175.431 -0.923 1
1 20 . 7 1 1 A 2 2 ILE CA C 2 61.095 59.626 1.469 1
1 21 . 7 1 1 A 2 2 ILE CB C 2 39.193 40.779 -1.586 1
1 25 . 7 1 1 A 3 3 SER H H 3 8.112 8.585 -0.473 1
1 26 . 7 1 1 A 3 3 SER HA H 3 4.414 5.019 -0.605 1
1 29 . 7 1 1 A 3 3 SER C C 3 174.652 175.896 -1.244 1
1 30 . 7 1 1 A 3 3 SER CA C 3 57.714 55.683 2.031 1
1 31 . 7 1 1 A 3 3 SER CB C 3 64.725 66.752 -2.027 1
1 32 . 7 1 1 A 3 3 SER N N 3 119.280 120.477 -1.197 1
1 33 . 7 1 1 A 4 4 ASN H H 4 8.832 9.062 -0.230 1
1 34 . 7 1 1 A 4 4 ASN HA H 4 4.511 4.440 0.071 1
1 39 . 7 1 1 A 4 4 ASN C C 4 177.606 177.610 -0.004 1
1 40 . 7 1 1 A 4 4 ASN CA C 4 55.617 56.809 -1.192 1
1 41 . 7 1 1 A 4 4 ASN CB C 4 37.972 37.932 0.040 1
1 43 . 7 1 1 A 4 4 ASN N N 4 120.760 119.972 0.788 1
1 45 . 7 1 1 A 5 5 ALA H H 5 8.504 8.260 0.244 1
1 46 . 7 1 1 A 5 5 ALA HA H 5 4.191 4.061 0.130 1
1 50 . 7 1 1 A 5 5 ALA C C 5 180.504 179.555 0.949 1
1 51 . 7 1 1 A 5 5 ALA CA C 5 54.896 55.313 -0.417 1
1 52 . 7 1 1 A 5 5 ALA CB C 5 18.468 18.564 -0.096 1
1 53 . 7 1 1 A 5 5 ALA N N 5 123.401 122.773 0.628 1
1 54 . 7 1 1 A 6 6 LYS H H 6 7.844 7.791 0.053 1
1 55 . 7 1 1 A 6 6 LYS HA H 6 4.119 4.027 0.092 1
1 64 . 7 1 1 A 6 6 LYS C C 6 178.320 179.469 -1.149 1
1 65 . 7 1 1 A 6 6 LYS CA C 6 59.550 59.256 0.294 1
1 66 . 7 1 1 A 6 6 LYS CB C 6 32.639 32.453 0.186 1
1 70 . 7 1 1 A 6 6 LYS N N 6 119.908 117.390 2.518 1
1 71 . 7 1 1 A 7 7 ILE H H 7 7.887 8.428 -0.541 1
1 72 . 7 1 1 A 7 7 ILE HA H 7 3.615 3.583 0.032 1
1 82 . 7 1 1 A 7 7 ILE C C 7 177.784 177.481 0.303 1
1 83 . 7 1 1 A 7 7 ILE CA C 7 64.351 65.769 -1.418 1
1 84 . 7 1 1 A 7 7 ILE CB C 7 37.623 37.333 0.290 1
1 88 . 7 1 1 A 7 7 ILE N N 7 120.487 121.223 -0.736 1
1 89 . 7 1 1 A 8 8 ALA H H 8 8.062 8.587 -0.525 1
1 90 . 7 1 1 A 8 8 ALA HA H 8 4.160 3.884 0.276 1
1 94 . 7 1 1 A 8 8 ALA C C 8 180.625 179.729 0.896 1
1 95 . 7 1 1 A 8 8 ALA CA C 8 55.102 55.146 -0.044 1
1 96 . 7 1 1 A 8 8 ALA CB C 8 17.517 18.076 -0.559 1
1 97 . 7 1 1 A 8 8 ALA N N 8 121.576 121.438 0.138 1
1 98 . 7 1 1 A 9 9 ARG H H 9 7.769 7.744 0.025 1
1 99 . 7 1 1 A 9 9 ARG HA H 9 4.226 4.134 0.092 1
1 107 . 7 1 1 A 9 9 ARG C C 9 178.076 178.824 -0.748 1
1 108 . 7 1 1 A 9 9 ARG CA C 9 57.517 58.642 -1.125 1
1 109 . 7 1 1 A 9 9 ARG CB C 9 29.638 29.837 -0.199 1
1 112 . 7 1 1 A 9 9 ARG N N 9 120.694 118.394 2.300 1
1 114 . 7 1 1 A 10 10 ILE H H 10 8.462 8.383 0.079 1
1 115 . 7 1 1 A 10 10 ILE HA H 10 3.576 3.599 -0.023 1
1 125 . 7 1 1 A 10 10 ILE C C 10 179.221 178.235 0.986 1
1 126 . 7 1 1 A 10 10 ILE CA C 10 66.414 65.458 0.956 1
1 127 . 7 1 1 A 10 10 ILE CB C 10 37.872 37.375 0.497 1
1 131 . 7 1 1 A 10 10 ILE N N 10 121.475 119.740 1.735 1
1 132 . 7 1 1 A 11 11 ASN H H 11 8.161 8.176 -0.015 1
1 133 . 7 1 1 A 11 11 ASN HA H 11 4.485 4.429 0.056 1
1 138 . 7 1 1 A 11 11 ASN C C 11 178.124 178.039 0.085 1
1 139 . 7 1 1 A 11 11 ASN CA C 11 55.961 56.656 -0.695 1
1 140 . 7 1 1 A 11 11 ASN CB C 11 37.642 37.863 -0.221 1
1 142 . 7 1 1 A 11 11 ASN N N 11 119.357 118.357 1.000 1
1 144 . 7 1 1 A 12 12 GLU H H 12 8.528 8.063 0.465 1
1 145 . 7 1 1 A 12 12 GLU HA H 12 4.111 4.004 0.107 1
1 150 . 7 1 1 A 12 12 GLU C C 12 179.650 179.396 0.254 1
1 151 . 7 1 1 A 12 12 GLU CA C 12 59.252 59.117 0.135 1
1 152 . 7 1 1 A 12 12 GLU CB C 12 30.026 29.380 0.646 1
1 154 . 7 1 1 A 12 12 GLU N N 12 124.689 119.939 4.750 1
1 155 . 7 1 1 A 13 13 LEU H H 13 8.669 8.455 0.214 1
1 156 . 7 1 1 A 13 13 LEU HA H 13 3.948 4.030 -0.082 1
1 166 . 7 1 1 A 13 13 LEU C C 13 178.491 179.361 -0.870 1
1 167 . 7 1 1 A 13 13 LEU CA C 13 57.835 57.869 -0.034 1
1 168 . 7 1 1 A 13 13 LEU CB C 13 41.160 40.798 0.362 1
1 172 . 7 1 1 A 13 13 LEU N N 13 119.467 120.033 -0.566 1
1 173 . 7 1 1 A 14 14 ALA H H 14 8.326 8.516 -0.190 1
1 174 . 7 1 1 A 14 14 ALA HA H 14 4.076 3.914 0.162 1
1 178 . 7 1 1 A 14 14 ALA C C 14 180.903 179.989 0.914 1
1 179 . 7 1 1 A 14 14 ALA CA C 14 55.100 55.179 -0.079 1
1 180 . 7 1 1 A 14 14 ALA CB C 14 17.838 18.124 -0.286 1
1 181 . 7 1 1 A 14 14 ALA N N 14 122.290 121.296 0.994 1
1 182 . 7 1 1 A 15 15 ALA H H 15 7.794 7.819 -0.025 1
1 183 . 7 1 1 A 15 15 ALA HA H 15 4.176 4.039 0.137 1
1 187 . 7 1 1 A 15 15 ALA C C 15 181.255 179.672 1.583 1
1 188 . 7 1 1 A 15 15 ALA CA C 15 55.196 55.124 0.072 1
1 189 . 7 1 1 A 15 15 ALA CB C 15 17.568 18.017 -0.449 1
1 190 . 7 1 1 A 15 15 ALA N N 15 121.829 120.765 1.064 1
1 191 . 7 1 1 A 16 16 LYS H H 16 7.977 8.228 -0.251 1
1 192 . 7 1 1 A 16 16 LYS HA H 16 4.026 4.035 -0.009 1
1 201 . 7 1 1 A 16 16 LYS C C 16 179.086 178.926 0.160 1
1 202 . 7 1 1 A 16 16 LYS CA C 16 59.878 59.302 0.576 1
1 203 . 7 1 1 A 16 16 LYS CB C 16 32.727 32.202 0.525 1
1 207 . 7 1 1 A 16 16 LYS N N 16 120.084 116.558 3.526 1
1 208 . 7 1 1 A 17 17 ALA H H 17 8.527 8.271 0.256 1
1 209 . 7 1 1 A 17 17 ALA HA H 17 4.026 3.983 0.043 1
1 213 . 7 1 1 A 17 17 ALA C C 17 181.147 179.466 1.681 1
1 214 . 7 1 1 A 17 17 ALA CA C 17 54.993 55.457 -0.464 1
1 215 . 7 1 1 A 17 17 ALA CB C 17 17.858 18.401 -0.543 1
1 216 . 7 1 1 A 17 17 ALA N N 17 123.164 121.959 1.205 1
1 217 . 7 1 1 A 18 18 LYS H H 18 8.125 8.077 0.048 1
1 218 . 7 1 1 A 18 18 LYS HA H 18 4.053 4.073 -0.020 1
1 227 . 7 1 1 A 18 18 LYS C C 18 177.994 177.502 0.492 1
1 228 . 7 1 1 A 18 18 LYS CA C 18 58.961 58.631 0.330 1
1 229 . 7 1 1 A 18 18 LYS CB C 18 32.400 32.221 0.179 1
1 233 . 7 1 1 A 18 18 LYS N N 18 120.927 117.804 3.123 1
1 234 . 7 1 1 A 19 19 ALA H H 19 7.659 7.701 -0.042 1
1 235 . 7 1 1 A 19 19 ALA HA H 19 4.355 4.392 -0.037 1
1 239 . 7 1 1 A 19 19 ALA C C 19 177.769 178.048 -0.279 1
1 240 . 7 1 1 A 19 19 ALA CA C 19 52.453 51.963 0.490 1
1 241 . 7 1 1 A 19 19 ALA CB C 19 19.483 19.790 -0.307 1
1 242 . 7 1 1 A 19 19 ALA N N 19 118.300 118.821 -0.521 1
1 243 . 7 1 1 A 20 20 GLY H H 20 7.758 7.702 0.056 1
1 244 . 7 1 1 A 20 20 GLY HA2 H 20 4.180 3.894 0.286 1
1 245 . 7 1 1 A 20 20 GLY HA3 H 20 3.947 3.895 0.052 1
1 246 . 7 1 1 A 20 20 GLY C C 20 175.031 174.906 0.125 1
1 247 . 7 1 1 A 20 20 GLY CA C 20 45.907 45.751 0.156 1
1 248 . 7 1 1 A 20 20 GLY N N 20 105.949 106.351 -0.402 1
1 249 . 7 1 1 A 21 21 VAL H H 21 7.678 7.768 -0.090 1
1 250 . 7 1 1 A 21 21 VAL HA H 21 4.608 4.062 0.546 1
1 258 . 7 1 1 A 21 21 VAL C C 21 175.837 175.660 0.177 1
1 259 . 7 1 1 A 21 21 VAL CA C 21 60.158 62.829 -2.671 1
1 260 . 7 1 1 A 21 21 VAL CB C 21 32.525 32.071 0.454 1
1 263 . 7 1 1 A 21 21 VAL N N 21 109.739 118.197 -8.458 1
1 264 . 7 1 1 A 22 22 ILE H H 22 6.842 7.048 -0.206 1
1 265 . 7 1 1 A 22 22 ILE HA H 22 4.347 4.184 0.163 1
1 275 . 7 1 1 A 22 22 ILE C C 22 174.145 175.564 -1.419 1
1 276 . 7 1 1 A 22 22 ILE CA C 22 61.285 61.316 -0.031 1
1 277 . 7 1 1 A 22 22 ILE CB C 22 40.142 38.868 1.274 1
1 281 . 7 1 1 A 22 22 ILE N N 22 124.020 124.345 -0.325 1
1 282 . 7 1 1 A 23 23 THR H H 23 9.104 8.451 0.653 1
1 283 . 7 1 1 A 23 23 THR HA H 23 4.597 4.701 -0.104 1
1 288 . 7 1 1 A 23 23 THR C C 23 175.820 176.035 -0.215 1
1 289 . 7 1 1 A 23 23 THR CA C 23 61.139 60.643 0.496 1
1 290 . 7 1 1 A 23 23 THR CB C 23 71.396 71.210 0.186 1
1 292 . 7 1 1 A 23 23 THR N N 23 120.184 118.541 1.643 1
1 293 . 7 1 1 A 24 24 GLU H H 24 9.011 9.055 -0.044 1
1 294 . 7 1 1 A 24 24 GLU HA H 24 3.965 4.013 -0.048 1
1 299 . 7 1 1 A 24 24 GLU C C 24 180.012 179.000 1.012 1
1 300 . 7 1 1 A 24 24 GLU CA C 24 60.049 59.992 0.057 1
1 301 . 7 1 1 A 24 24 GLU CB C 24 29.095 29.313 -0.218 1
1 303 . 7 1 1 A 24 24 GLU N N 24 120.289 121.587 -1.298 1
1 304 . 7 1 1 A 25 25 GLU H H 25 8.917 8.248 0.669 1
1 305 . 7 1 1 A 25 25 GLU HA H 25 4.116 4.035 0.081 1
1 310 . 7 1 1 A 25 25 GLU C C 25 180.164 179.433 0.731 1
1 311 . 7 1 1 A 25 25 GLU CA C 25 60.042 59.637 0.405 1
1 312 . 7 1 1 A 25 25 GLU CB C 25 29.131 29.159 -0.028 1
1 314 . 7 1 1 A 25 25 GLU N N 25 120.676 119.596 1.080 1
1 315 . 7 1 1 A 26 26 GLU H H 26 7.837 7.724 0.113 1
1 316 . 7 1 1 A 26 26 GLU HA H 26 4.074 4.069 0.005 1
1 321 . 7 1 1 A 26 26 GLU C C 26 179.093 179.130 -0.037 1
1 322 . 7 1 1 A 26 26 GLU CA C 26 58.684 58.980 -0.296 1
1 323 . 7 1 1 A 26 26 GLU CB C 26 30.606 29.251 1.355 1
1 325 . 7 1 1 A 26 26 GLU N N 26 121.997 119.183 2.814 1
1 326 . 7 1 1 A 27 27 LYS H H 27 8.659 8.255 0.404 1
1 327 . 7 1 1 A 27 27 LYS HA H 27 3.964 4.017 -0.053 1
1 336 . 7 1 1 A 27 27 LYS C C 27 179.776 179.231 0.545 1
1 337 . 7 1 1 A 27 27 LYS CA C 27 60.129 59.432 0.697 1
1 338 . 7 1 1 A 27 27 LYS CB C 27 32.537 32.270 0.267 1
1 342 . 7 1 1 A 27 27 LYS N N 27 121.367 120.281 1.086 1
1 343 . 7 1 1 A 28 28 ALA H H 28 7.648 8.191 -0.543 1
1 344 . 7 1 1 A 28 28 ALA HA H 28 4.216 4.020 0.196 1
1 348 . 7 1 1 A 28 28 ALA C C 28 180.525 179.097 1.428 1
1 349 . 7 1 1 A 28 28 ALA CA C 28 55.014 54.978 0.036 1
1 350 . 7 1 1 A 28 28 ALA CB C 28 17.610 18.045 -0.435 1
1 351 . 7 1 1 A 28 28 ALA N N 28 122.685 121.944 0.741 1
1 352 . 7 1 1 A 29 29 GLU H H 29 7.915 8.241 -0.326 1
1 353 . 7 1 1 A 29 29 GLU HA H 29 3.971 3.998 -0.027 1
1 358 . 7 1 1 A 29 29 GLU C C 29 178.193 178.468 -0.275 1
1 359 . 7 1 1 A 29 29 GLU CA C 29 59.269 59.726 -0.457 1
1 360 . 7 1 1 A 29 29 GLU CB C 29 29.467 28.918 0.549 1
1 362 . 7 1 1 A 29 29 GLU N N 29 122.691 118.160 4.531 1
1 363 . 7 1 1 A 30 30 GLN H H 30 8.891 8.347 0.544 1
1 364 . 7 1 1 A 30 30 GLN HA H 30 3.805 3.973 -0.168 1
1 371 . 7 1 1 A 30 30 GLN C C 30 177.828 178.472 -0.644 1
1 372 . 7 1 1 A 30 30 GLN CA C 30 59.703 59.032 0.671 1
1 373 . 7 1 1 A 30 30 GLN CB C 30 29.404 28.129 1.275 1
1 376 . 7 1 1 A 30 30 GLN N N 30 119.325 118.908 0.417 1
1 378 . 7 1 1 A 31 31 GLN H H 31 7.874 7.972 -0.098 1
1 379 . 7 1 1 A 31 31 GLN HA H 31 4.085 3.941 0.144 1
1 386 . 7 1 1 A 31 31 GLN C C 31 178.371 178.475 -0.104 1
1 387 . 7 1 1 A 31 31 GLN CA C 31 58.842 59.051 -0.209 1
1 388 . 7 1 1 A 31 31 GLN CB C 31 28.283 28.211 0.072 1
1 391 . 7 1 1 A 31 31 GLN N N 31 118.010 118.960 -0.950 1
1 393 . 7 1 1 A 32 32 LYS H H 32 7.739 7.626 0.113 1
1 394 . 7 1 1 A 32 32 LYS HA H 32 4.096 4.127 -0.031 1
1 403 . 7 1 1 A 32 32 LYS C C 32 179.952 179.173 0.779 1
1 404 . 7 1 1 A 32 32 LYS CA C 32 59.708 59.395 0.313 1
1 405 . 7 1 1 A 32 32 LYS CB C 32 32.403 32.044 0.359 1
1 409 . 7 1 1 A 32 32 LYS N N 32 120.842 120.125 0.717 1
1 410 . 7 1 1 A 33 33 LEU H H 33 8.617 8.724 -0.107 1
1 411 . 7 1 1 A 33 33 LEU HA H 33 4.153 3.946 0.207 1
1 421 . 7 1 1 A 33 33 LEU C C 33 179.446 179.381 0.065 1
1 422 . 7 1 1 A 33 33 LEU CA C 33 57.774 58.036 -0.262 1
1 423 . 7 1 1 A 33 33 LEU CB C 33 42.585 41.216 1.369 1
1 427 . 7 1 1 A 33 33 LEU N N 33 120.088 119.336 0.752 1
1 428 . 7 1 1 A 34 34 ARG H H 34 8.413 8.452 -0.039 1
1 429 . 7 1 1 A 34 34 ARG HA H 34 4.009 4.060 -0.051 1
1 436 . 7 1 1 A 34 34 ARG C C 34 178.614 179.036 -0.422 1
1 437 . 7 1 1 A 34 34 ARG CA C 34 59.839 59.174 0.665 1
1 438 . 7 1 1 A 34 34 ARG CB C 34 29.772 29.406 0.366 1
1 441 . 7 1 1 A 34 34 ARG N N 34 119.206 119.570 -0.364 1
1 442 . 7 1 1 A 35 35 GLN H H 35 7.850 8.034 -0.184 1
1 443 . 7 1 1 A 35 35 GLN HA H 35 4.085 4.096 -0.011 1
1 450 . 7 1 1 A 35 35 GLN C C 35 178.621 179.032 -0.411 1
1 451 . 7 1 1 A 35 35 GLN CA C 35 58.771 58.894 -0.123 1
1 452 . 7 1 1 A 35 35 GLN CB C 35 28.331 28.592 -0.261 1
1 455 . 7 1 1 A 35 35 GLN N N 35 117.434 119.532 -2.098 1
1 457 . 7 1 1 A 36 36 GLU H H 36 7.939 7.856 0.083 1
1 458 . 7 1 1 A 36 36 GLU HA H 36 4.015 4.071 -0.056 1
1 463 . 7 1 1 A 36 36 GLU C C 36 178.975 178.821 0.154 1
1 464 . 7 1 1 A 36 36 GLU CA C 36 59.271 59.088 0.183 1
1 465 . 7 1 1 A 36 36 GLU CB C 36 29.750 29.425 0.325 1
1 467 . 7 1 1 A 36 36 GLU N N 36 119.554 120.967 -1.413 1
1 468 . 7 1 1 A 37 37 TYR H H 37 8.578 7.911 0.667 1
1 469 . 7 1 1 A 37 37 TYR HA H 37 4.164 4.143 0.021 1
1 476 . 7 1 1 A 37 37 TYR C C 37 177.550 177.235 0.315 1
1 477 . 7 1 1 A 37 37 TYR CA C 37 60.590 61.002 -0.412 1
1 478 . 7 1 1 A 37 37 TYR CB C 37 38.709 38.591 0.118 1
1 483 . 7 1 1 A 37 37 TYR N N 37 120.782 121.278 -0.496 1
1 484 . 7 1 1 A 38 38 LEU H H 38 8.229 8.070 0.159 1
1 485 . 7 1 1 A 38 38 LEU HA H 38 4.072 4.286 -0.214 1
1 495 . 7 1 1 A 38 38 LEU C C 38 178.983 177.168 1.815 1
1 496 . 7 1 1 A 38 38 LEU CA C 38 57.053 56.395 0.658 1
1 497 . 7 1 1 A 38 38 LEU CB C 38 42.020 42.026 -0.006 1
1 501 . 7 1 1 A 38 38 LEU N N 38 119.275 119.533 -0.258 1
1 502 . 7 1 1 A 39 39 LYS H H 39 7.790 7.176 0.614 1
1 503 . 7 1 1 A 39 39 LYS HA H 39 4.152 4.151 0.001 1
1 512 . 7 1 1 A 39 39 LYS C C 39 178.123 177.401 0.722 1
1 513 . 7 1 1 A 39 39 LYS CA C 39 58.197 58.395 -0.198 1
1 514 . 7 1 1 A 39 39 LYS CB C 39 32.466 32.064 0.402 1
1 518 . 7 1 1 A 39 39 LYS N N 39 118.917 120.471 -1.554 1
1 519 . 7 1 1 A 40 40 GLY H H 40 7.885 8.796 -0.911 1
1 520 . 7 1 1 A 40 40 GLY HA2 H 40 3.970 3.866 0.104 1
1 521 . 7 1 1 A 40 40 GLY HA3 H 40 3.768 3.869 -0.101 1
1 522 . 7 1 1 A 40 40 GLY C C 40 174.349 173.967 0.382 1
1 523 . 7 1 1 A 40 40 GLY CA C 40 45.758 45.940 -0.182 1
1 524 . 7 1 1 A 40 40 GLY N N 40 106.796 112.794 -5.998 1
1 525 . 7 1 1 A 41 41 PHE H H 41 7.859 8.037 -0.178 1
1 526 . 7 1 1 A 41 41 PHE HA H 41 4.455 4.518 -0.063 1
1 534 . 7 1 1 A 41 41 PHE C C 41 176.028 174.515 1.513 1
1 535 . 7 1 1 A 41 41 PHE CA C 41 58.735 57.502 1.233 1
1 536 . 7 1 1 A 41 41 PHE CB C 41 39.408 40.081 -0.673 1
1 542 . 7 1 1 A 41 41 PHE N N 41 120.317 121.264 -0.947 1
1 543 . 7 1 1 A 42 42 ARG H H 42 8.044 7.686 0.358 1
1 544 . 7 1 1 A 42 42 ARG HA H 42 4.269 4.634 -0.365 1
1 551 . 7 1 1 A 42 42 ARG C C 42 176.487 175.103 1.384 1
1 552 . 7 1 1 A 42 42 ARG CA C 42 56.505 55.048 1.457 1
1 553 . 7 1 1 A 42 42 ARG CB C 42 30.801 30.862 -0.061 1
1 556 . 7 1 1 A 42 42 ARG N N 42 121.581 125.666 -4.085 1
1 557 . 7 1 1 A 43 43 SER H H 43 8.218 8.628 -0.410 1
1 558 . 7 1 1 A 43 43 SER HA H 43 4.389 4.977 -0.588 1
1 561 . 7 1 1 A 43 43 SER C C 43 174.872 172.228 2.644 1
1 562 . 7 1 1 A 43 43 SER CA C 43 58.809 57.227 1.582 1
1 563 . 7 1 1 A 43 43 SER CB C 43 63.615 65.807 -2.192 1
1 564 . 7 1 1 A 43 43 SER N N 43 116.338 119.468 -3.130 1
1 565 . 7 1 1 A 44 44 SER H H 44 8.247 8.581 -0.334 1
1 566 . 7 1 1 A 44 44 SER HA H 44 4.441 5.127 -0.686 1
1 569 . 7 1 1 A 44 44 SER C C 44 174.653 172.340 2.313 1
1 570 . 7 1 1 A 44 44 SER CA C 44 58.697 57.273 1.424 1
1 571 . 7 1 1 A 44 44 SER CB C 44 63.743 66.493 -2.750 1
1 572 . 7 1 1 A 44 44 SER N N 44 117.375 117.732 -0.357 1
1 573 . 7 1 1 A 45 45 MET H H 45 8.194 8.651 -0.457 1
1 574 . 7 1 1 A 45 45 MET HA H 45 4.417 5.348 -0.931 1
1 579 . 7 1 1 A 45 45 MET C C 45 176.033 175.178 0.855 1
1 580 . 7 1 1 A 45 45 MET CA C 45 55.795 53.654 2.141 1
1 581 . 7 1 1 A 45 45 MET CB C 45 32.840 34.560 -1.720 1
1 583 . 7 1 1 A 45 45 MET N N 45 122.021 120.534 1.487 1
1 584 . 7 1 1 A 46 46 LYS H H 46 8.220 8.809 -0.589 1
1 585 . 7 1 1 A 46 46 LYS HA H 46 4.276 5.217 -0.941 1
1 594 . 7 1 1 A 46 46 LYS C C 46 176.299 174.560 1.739 1
1 595 . 7 1 1 A 46 46 LYS CA C 46 56.399 55.295 1.104 1
1 596 . 7 1 1 A 46 46 LYS CB C 46 32.834 36.371 -3.537 1
1 600 . 7 1 1 A 46 46 LYS N N 46 122.277 124.403 -2.126 1
1 601 . 7 1 1 A 47 47 LEU H H 47 8.210 8.907 -0.697 1
1 602 . 7 1 1 A 47 47 LEU HA H 47 4.299 5.085 -0.786 1
1 612 . 7 1 1 A 47 47 LEU C C 47 177.189 174.730 2.459 1
1 613 . 7 1 1 A 47 47 LEU CA C 47 55.134 52.941 2.193 1
1 614 . 7 1 1 A 47 47 LEU CB C 47 42.301 45.419 -3.118 1
1 618 . 7 1 1 A 47 47 LEU N N 47 123.549 122.261 1.288 1
1 9 . 8 1 1 A 2 2 ILE HA H 2 4.350 5.007 -0.657 1
1 19 . 8 1 1 A 2 2 ILE C C 2 174.508 174.064 0.444 1
1 20 . 8 1 1 A 2 2 ILE CA C 2 61.095 59.570 1.525 1
1 21 . 8 1 1 A 2 2 ILE CB C 2 39.193 40.781 -1.588 1
1 25 . 8 1 1 A 3 3 SER H H 3 8.112 8.496 -0.384 1
1 26 . 8 1 1 A 3 3 SER HA H 3 4.414 4.889 -0.475 1
1 29 . 8 1 1 A 3 3 SER C C 3 174.652 174.767 -0.115 1
1 30 . 8 1 1 A 3 3 SER CA C 3 57.714 55.684 2.030 1
1 31 . 8 1 1 A 3 3 SER CB C 3 64.725 66.198 -1.473 1
1 32 . 8 1 1 A 3 3 SER N N 3 119.280 123.438 -4.158 1
1 33 . 8 1 1 A 4 4 ASN H H 4 8.832 8.906 -0.074 1
1 34 . 8 1 1 A 4 4 ASN HA H 4 4.511 4.357 0.154 1
1 39 . 8 1 1 A 4 4 ASN C C 4 177.606 177.027 0.579 1
1 40 . 8 1 1 A 4 4 ASN CA C 4 55.617 56.834 -1.217 1
1 41 . 8 1 1 A 4 4 ASN CB C 4 37.972 38.895 -0.923 1
1 43 . 8 1 1 A 4 4 ASN N N 4 120.760 124.402 -3.642 1
1 45 . 8 1 1 A 5 5 ALA H H 5 8.504 7.952 0.552 1
1 46 . 8 1 1 A 5 5 ALA HA H 5 4.191 4.099 0.092 1
1 50 . 8 1 1 A 5 5 ALA C C 5 180.504 179.840 0.664 1
1 51 . 8 1 1 A 5 5 ALA CA C 5 54.896 55.169 -0.273 1
1 52 . 8 1 1 A 5 5 ALA CB C 5 18.468 18.757 -0.289 1
1 53 . 8 1 1 A 5 5 ALA N N 5 123.401 121.673 1.728 1
1 54 . 8 1 1 A 6 6 LYS H H 6 7.844 8.110 -0.266 1
1 55 . 8 1 1 A 6 6 LYS HA H 6 4.119 4.031 0.088 1
1 64 . 8 1 1 A 6 6 LYS C C 6 178.320 179.457 -1.137 1
1 65 . 8 1 1 A 6 6 LYS CA C 6 59.550 59.175 0.375 1
1 66 . 8 1 1 A 6 6 LYS CB C 6 32.639 32.424 0.215 1
1 70 . 8 1 1 A 6 6 LYS N N 6 119.908 117.549 2.359 1
1 71 . 8 1 1 A 7 7 ILE H H 7 7.887 8.324 -0.437 1
1 72 . 8 1 1 A 7 7 ILE HA H 7 3.615 3.482 0.133 1
1 82 . 8 1 1 A 7 7 ILE C C 7 177.784 177.548 0.236 1
1 83 . 8 1 1 A 7 7 ILE CA C 7 64.351 65.736 -1.385 1
1 84 . 8 1 1 A 7 7 ILE CB C 7 37.623 37.761 -0.138 1
1 88 . 8 1 1 A 7 7 ILE N N 7 120.487 121.273 -0.786 1
1 89 . 8 1 1 A 8 8 ALA H H 8 8.062 8.522 -0.460 1
1 90 . 8 1 1 A 8 8 ALA HA H 8 4.160 3.859 0.301 1
1 94 . 8 1 1 A 8 8 ALA C C 8 180.625 179.659 0.966 1
1 95 . 8 1 1 A 8 8 ALA CA C 8 55.102 55.046 0.056 1
1 96 . 8 1 1 A 8 8 ALA CB C 8 17.517 18.241 -0.724 1
1 97 . 8 1 1 A 8 8 ALA N N 8 121.576 121.399 0.177 1
1 98 . 8 1 1 A 9 9 ARG H H 9 7.769 7.625 0.144 1
1 99 . 8 1 1 A 9 9 ARG HA H 9 4.226 4.143 0.083 1
1 107 . 8 1 1 A 9 9 ARG C C 9 178.076 178.701 -0.625 1
1 108 . 8 1 1 A 9 9 ARG CA C 9 57.517 58.699 -1.182 1
1 109 . 8 1 1 A 9 9 ARG CB C 9 29.638 29.793 -0.155 1
1 112 . 8 1 1 A 9 9 ARG N N 9 120.694 118.464 2.230 1
1 114 . 8 1 1 A 10 10 ILE H H 10 8.462 8.149 0.313 1
1 115 . 8 1 1 A 10 10 ILE HA H 10 3.576 3.514 0.062 1
1 125 . 8 1 1 A 10 10 ILE C C 10 179.221 178.007 1.214 1
1 126 . 8 1 1 A 10 10 ILE CA C 10 66.414 65.456 0.958 1
1 127 . 8 1 1 A 10 10 ILE CB C 10 37.872 37.759 0.113 1
1 131 . 8 1 1 A 10 10 ILE N N 10 121.475 119.750 1.725 1
1 132 . 8 1 1 A 11 11 ASN H H 11 8.161 7.982 0.179 1
1 133 . 8 1 1 A 11 11 ASN HA H 11 4.485 4.445 0.040 1
1 138 . 8 1 1 A 11 11 ASN C C 11 178.124 177.952 0.172 1
1 139 . 8 1 1 A 11 11 ASN CA C 11 55.961 56.624 -0.663 1
1 140 . 8 1 1 A 11 11 ASN CB C 11 37.642 37.725 -0.083 1
1 142 . 8 1 1 A 11 11 ASN N N 11 119.357 117.858 1.499 1
1 144 . 8 1 1 A 12 12 GLU H H 12 8.528 8.212 0.316 1
1 145 . 8 1 1 A 12 12 GLU HA H 12 4.111 4.038 0.073 1
1 150 . 8 1 1 A 12 12 GLU C C 12 179.650 179.263 0.387 1
1 151 . 8 1 1 A 12 12 GLU CA C 12 59.252 59.123 0.129 1
1 152 . 8 1 1 A 12 12 GLU CB C 12 30.026 29.366 0.660 1
1 154 . 8 1 1 A 12 12 GLU N N 12 124.689 119.798 4.891 1
1 155 . 8 1 1 A 13 13 LEU H H 13 8.669 8.398 0.271 1
1 156 . 8 1 1 A 13 13 LEU HA H 13 3.948 4.019 -0.071 1
1 166 . 8 1 1 A 13 13 LEU C C 13 178.491 179.155 -0.664 1
1 167 . 8 1 1 A 13 13 LEU CA C 13 57.835 57.753 0.082 1
1 168 . 8 1 1 A 13 13 LEU CB C 13 41.160 40.779 0.381 1
1 172 . 8 1 1 A 13 13 LEU N N 13 119.467 120.134 -0.667 1
1 173 . 8 1 1 A 14 14 ALA H H 14 8.326 8.461 -0.135 1
1 174 . 8 1 1 A 14 14 ALA HA H 14 4.076 3.996 0.080 1
1 178 . 8 1 1 A 14 14 ALA C C 14 180.903 179.174 1.729 1
1 179 . 8 1 1 A 14 14 ALA CA C 14 55.100 55.478 -0.378 1
1 180 . 8 1 1 A 14 14 ALA CB C 14 17.838 17.709 0.129 1
1 181 . 8 1 1 A 14 14 ALA N N 14 122.290 122.207 0.083 1
1 182 . 8 1 1 A 15 15 ALA H H 15 7.794 8.003 -0.209 1
1 183 . 8 1 1 A 15 15 ALA HA H 15 4.176 4.019 0.157 1
1 187 . 8 1 1 A 15 15 ALA C C 15 181.255 179.722 1.533 1
1 188 . 8 1 1 A 15 15 ALA CA C 15 55.196 55.128 0.068 1
1 189 . 8 1 1 A 15 15 ALA CB C 15 17.568 18.160 -0.592 1
1 190 . 8 1 1 A 15 15 ALA N N 15 121.829 119.573 2.256 1
1 191 . 8 1 1 A 16 16 LYS H H 16 7.977 8.336 -0.359 1
1 192 . 8 1 1 A 16 16 LYS HA H 16 4.026 3.991 0.035 1
1 201 . 8 1 1 A 16 16 LYS C C 16 179.086 179.057 0.029 1
1 202 . 8 1 1 A 16 16 LYS CA C 16 59.878 59.468 0.410 1
1 203 . 8 1 1 A 16 16 LYS CB C 16 32.727 32.068 0.659 1
1 207 . 8 1 1 A 16 16 LYS N N 16 120.084 116.572 3.512 1
1 208 . 8 1 1 A 17 17 ALA H H 17 8.527 8.260 0.267 1
1 209 . 8 1 1 A 17 17 ALA HA H 17 4.026 4.019 0.007 1
1 213 . 8 1 1 A 17 17 ALA C C 17 181.147 178.994 2.153 1
1 214 . 8 1 1 A 17 17 ALA CA C 17 54.993 55.375 -0.382 1
1 215 . 8 1 1 A 17 17 ALA CB C 17 17.858 18.200 -0.342 1
1 216 . 8 1 1 A 17 17 ALA N N 17 123.164 122.512 0.652 1
1 217 . 8 1 1 A 18 18 LYS H H 18 8.125 8.044 0.081 1
1 218 . 8 1 1 A 18 18 LYS HA H 18 4.053 4.014 0.039 1
1 227 . 8 1 1 A 18 18 LYS C C 18 177.994 178.134 -0.140 1
1 228 . 8 1 1 A 18 18 LYS CA C 18 58.961 58.961 0.000 1
1 229 . 8 1 1 A 18 18 LYS CB C 18 32.400 32.169 0.231 1
1 233 . 8 1 1 A 18 18 LYS N N 18 120.927 118.764 2.163 1
1 234 . 8 1 1 A 19 19 ALA H H 19 7.659 7.666 -0.007 1
1 235 . 8 1 1 A 19 19 ALA HA H 19 4.355 4.364 -0.009 1
1 239 . 8 1 1 A 19 19 ALA C C 19 177.769 177.977 -0.208 1
1 240 . 8 1 1 A 19 19 ALA CA C 19 52.453 52.072 0.381 1
1 241 . 8 1 1 A 19 19 ALA CB C 19 19.483 19.742 -0.259 1
1 242 . 8 1 1 A 19 19 ALA N N 19 118.300 118.905 -0.605 1
1 243 . 8 1 1 A 20 20 GLY H H 20 7.758 7.710 0.048 1
1 244 . 8 1 1 A 20 20 GLY HA2 H 20 4.180 3.917 0.263 1
1 245 . 8 1 1 A 20 20 GLY HA3 H 20 3.947 3.918 0.029 1
1 246 . 8 1 1 A 20 20 GLY C C 20 175.031 175.020 0.011 1
1 247 . 8 1 1 A 20 20 GLY CA C 20 45.907 45.869 0.038 1
1 248 . 8 1 1 A 20 20 GLY N N 20 105.949 106.262 -0.313 1
1 249 . 8 1 1 A 21 21 VAL H H 21 7.678 7.771 -0.093 1
1 250 . 8 1 1 A 21 21 VAL HA H 21 4.608 4.151 0.457 1
1 258 . 8 1 1 A 21 21 VAL C C 21 175.837 175.751 0.086 1
1 259 . 8 1 1 A 21 21 VAL CA C 21 60.158 62.959 -2.801 1
1 260 . 8 1 1 A 21 21 VAL CB C 21 32.525 32.178 0.347 1
1 263 . 8 1 1 A 21 21 VAL N N 21 109.739 117.232 -7.493 1
1 264 . 8 1 1 A 22 22 ILE H H 22 6.842 7.051 -0.209 1
1 265 . 8 1 1 A 22 22 ILE HA H 22 4.347 4.125 0.222 1
1 275 . 8 1 1 A 22 22 ILE C C 22 174.145 174.947 -0.802 1
1 276 . 8 1 1 A 22 22 ILE CA C 22 61.285 62.062 -0.777 1
1 277 . 8 1 1 A 22 22 ILE CB C 22 40.142 39.124 1.018 1
1 281 . 8 1 1 A 22 22 ILE N N 22 124.020 124.243 -0.223 1
1 282 . 8 1 1 A 23 23 THR H H 23 9.104 8.338 0.766 1
1 283 . 8 1 1 A 23 23 THR HA H 23 4.597 4.788 -0.191 1
1 288 . 8 1 1 A 23 23 THR C C 23 175.820 176.175 -0.355 1
1 289 . 8 1 1 A 23 23 THR CA C 23 61.139 60.235 0.904 1
1 290 . 8 1 1 A 23 23 THR CB C 23 71.396 71.390 0.006 1
1 292 . 8 1 1 A 23 23 THR N N 23 120.184 117.365 2.819 1
1 293 . 8 1 1 A 24 24 GLU H H 24 9.011 9.073 -0.062 1
1 294 . 8 1 1 A 24 24 GLU HA H 24 3.965 4.035 -0.070 1
1 299 . 8 1 1 A 24 24 GLU C C 24 180.012 178.820 1.192 1
1 300 . 8 1 1 A 24 24 GLU CA C 24 60.049 59.693 0.356 1
1 301 . 8 1 1 A 24 24 GLU CB C 24 29.095 29.223 -0.128 1
1 303 . 8 1 1 A 24 24 GLU N N 24 120.289 121.892 -1.603 1
1 304 . 8 1 1 A 25 25 GLU H H 25 8.917 8.388 0.529 1
1 305 . 8 1 1 A 25 25 GLU HA H 25 4.116 4.053 0.063 1
1 310 . 8 1 1 A 25 25 GLU C C 25 180.164 179.307 0.857 1
1 311 . 8 1 1 A 25 25 GLU CA C 25 60.042 59.636 0.406 1
1 312 . 8 1 1 A 25 25 GLU CB C 25 29.131 29.197 -0.066 1
1 314 . 8 1 1 A 25 25 GLU N N 25 120.676 120.300 0.376 1
1 315 . 8 1 1 A 26 26 GLU H H 26 7.837 7.816 0.021 1
1 316 . 8 1 1 A 26 26 GLU HA H 26 4.074 4.077 -0.003 1
1 321 . 8 1 1 A 26 26 GLU C C 26 179.093 179.069 0.024 1
1 322 . 8 1 1 A 26 26 GLU CA C 26 58.684 58.864 -0.180 1
1 323 . 8 1 1 A 26 26 GLU CB C 26 30.606 29.413 1.193 1
1 325 . 8 1 1 A 26 26 GLU N N 26 121.997 119.127 2.870 1
1 326 . 8 1 1 A 27 27 LYS H H 27 8.659 8.032 0.627 1
1 327 . 8 1 1 A 27 27 LYS HA H 27 3.964 4.022 -0.058 1
1 336 . 8 1 1 A 27 27 LYS C C 27 179.776 179.162 0.614 1
1 337 . 8 1 1 A 27 27 LYS CA C 27 60.129 59.449 0.680 1
1 338 . 8 1 1 A 27 27 LYS CB C 27 32.537 32.298 0.239 1
1 342 . 8 1 1 A 27 27 LYS N N 27 121.367 119.999 1.368 1
1 343 . 8 1 1 A 28 28 ALA H H 28 7.648 8.470 -0.822 1
1 344 . 8 1 1 A 28 28 ALA HA H 28 4.216 4.069 0.147 1
1 348 . 8 1 1 A 28 28 ALA C C 28 180.525 179.100 1.425 1
1 349 . 8 1 1 A 28 28 ALA CA C 28 55.014 54.855 0.159 1
1 350 . 8 1 1 A 28 28 ALA CB C 28 17.610 18.274 -0.664 1
1 351 . 8 1 1 A 28 28 ALA N N 28 122.685 121.986 0.699 1
1 352 . 8 1 1 A 29 29 GLU H H 29 7.915 8.022 -0.107 1
1 353 . 8 1 1 A 29 29 GLU HA H 29 3.971 4.023 -0.052 1
1 358 . 8 1 1 A 29 29 GLU C C 29 178.193 178.812 -0.619 1
1 359 . 8 1 1 A 29 29 GLU CA C 29 59.269 59.640 -0.371 1
1 360 . 8 1 1 A 29 29 GLU CB C 29 29.467 29.108 0.359 1
1 362 . 8 1 1 A 29 29 GLU N N 29 122.691 118.393 4.298 1
1 363 . 8 1 1 A 30 30 GLN H H 30 8.891 8.406 0.485 1
1 364 . 8 1 1 A 30 30 GLN HA H 30 3.805 3.974 -0.169 1
1 371 . 8 1 1 A 30 30 GLN C C 30 177.828 177.952 -0.124 1
1 372 . 8 1 1 A 30 30 GLN CA C 30 59.703 59.117 0.586 1
1 373 . 8 1 1 A 30 30 GLN CB C 30 29.404 28.424 0.980 1
1 376 . 8 1 1 A 30 30 GLN N N 30 119.325 118.671 0.654 1
1 378 . 8 1 1 A 31 31 GLN H H 31 7.874 8.009 -0.135 1
1 379 . 8 1 1 A 31 31 GLN HA H 31 4.085 3.935 0.150 1
1 386 . 8 1 1 A 31 31 GLN C C 31 178.371 178.201 0.170 1
1 387 . 8 1 1 A 31 31 GLN CA C 31 58.842 59.025 -0.183 1
1 388 . 8 1 1 A 31 31 GLN CB C 31 28.283 28.316 -0.033 1
1 391 . 8 1 1 A 31 31 GLN N N 31 118.010 118.230 -0.220 1
1 393 . 8 1 1 A 32 32 LYS H H 32 7.739 7.524 0.215 1
1 394 . 8 1 1 A 32 32 LYS HA H 32 4.096 4.044 0.052 1
1 403 . 8 1 1 A 32 32 LYS C C 32 179.952 178.839 1.113 1
1 404 . 8 1 1 A 32 32 LYS CA C 32 59.708 59.436 0.272 1
1 405 . 8 1 1 A 32 32 LYS CB C 32 32.403 32.024 0.379 1
1 409 . 8 1 1 A 32 32 LYS N N 32 120.842 120.539 0.303 1
1 410 . 8 1 1 A 33 33 LEU H H 33 8.617 8.330 0.287 1
1 411 . 8 1 1 A 33 33 LEU HA H 33 4.153 3.955 0.198 1
1 421 . 8 1 1 A 33 33 LEU C C 33 179.446 179.373 0.073 1
1 422 . 8 1 1 A 33 33 LEU CA C 33 57.774 57.985 -0.211 1
1 423 . 8 1 1 A 33 33 LEU CB C 33 42.585 41.348 1.237 1
1 427 . 8 1 1 A 33 33 LEU N N 33 120.088 119.354 0.734 1
1 428 . 8 1 1 A 34 34 ARG H H 34 8.413 8.380 0.033 1
1 429 . 8 1 1 A 34 34 ARG HA H 34 4.009 3.991 0.018 1
1 436 . 8 1 1 A 34 34 ARG C C 34 178.614 179.065 -0.451 1
1 437 . 8 1 1 A 34 34 ARG CA C 34 59.839 59.551 0.288 1
1 438 . 8 1 1 A 34 34 ARG CB C 34 29.772 29.948 -0.176 1
1 441 . 8 1 1 A 34 34 ARG N N 34 119.206 119.236 -0.030 1
1 442 . 8 1 1 A 35 35 GLN H H 35 7.850 7.950 -0.100 1
1 443 . 8 1 1 A 35 35 GLN HA H 35 4.085 4.170 -0.085 1
1 450 . 8 1 1 A 35 35 GLN C C 35 178.621 178.695 -0.074 1
1 451 . 8 1 1 A 35 35 GLN CA C 35 58.771 58.900 -0.129 1
1 452 . 8 1 1 A 35 35 GLN CB C 35 28.331 28.202 0.129 1
1 455 . 8 1 1 A 35 35 GLN N N 35 117.434 118.651 -1.217 1
1 457 . 8 1 1 A 36 36 GLU H H 36 7.939 8.094 -0.155 1
1 458 . 8 1 1 A 36 36 GLU HA H 36 4.015 4.087 -0.072 1
1 463 . 8 1 1 A 36 36 GLU C C 36 178.975 178.900 0.075 1
1 464 . 8 1 1 A 36 36 GLU CA C 36 59.271 59.099 0.172 1
1 465 . 8 1 1 A 36 36 GLU CB C 36 29.750 29.433 0.317 1
1 467 . 8 1 1 A 36 36 GLU N N 36 119.554 121.467 -1.913 1
1 468 . 8 1 1 A 37 37 TYR H H 37 8.578 8.126 0.452 1
1 469 . 8 1 1 A 37 37 TYR HA H 37 4.164 4.153 0.011 1
1 476 . 8 1 1 A 37 37 TYR C C 37 177.550 177.369 0.181 1
1 477 . 8 1 1 A 37 37 TYR CA C 37 60.590 61.144 -0.554 1
1 478 . 8 1 1 A 37 37 TYR CB C 37 38.709 38.526 0.183 1
1 483 . 8 1 1 A 37 37 TYR N N 37 120.782 122.504 -1.722 1
1 484 . 8 1 1 A 38 38 LEU H H 38 8.229 8.103 0.126 1
1 485 . 8 1 1 A 38 38 LEU HA H 38 4.072 4.249 -0.177 1
1 495 . 8 1 1 A 38 38 LEU C C 38 178.983 177.413 1.570 1
1 496 . 8 1 1 A 38 38 LEU CA C 38 57.053 57.154 -0.101 1
1 497 . 8 1 1 A 38 38 LEU CB C 38 42.020 42.240 -0.220 1
1 501 . 8 1 1 A 38 38 LEU N N 38 119.275 119.854 -0.579 1
1 502 . 8 1 1 A 39 39 LYS H H 39 7.790 7.209 0.581 1
1 503 . 8 1 1 A 39 39 LYS HA H 39 4.152 4.140 0.012 1
1 512 . 8 1 1 A 39 39 LYS C C 39 178.123 177.323 0.800 1
1 513 . 8 1 1 A 39 39 LYS CA C 39 58.197 58.329 -0.132 1
1 514 . 8 1 1 A 39 39 LYS CB C 39 32.466 31.843 0.623 1
1 518 . 8 1 1 A 39 39 LYS N N 39 118.917 120.110 -1.193 1
1 519 . 8 1 1 A 40 40 GLY H H 40 7.885 8.636 -0.751 1
1 520 . 8 1 1 A 40 40 GLY HA2 H 40 3.970 3.919 0.051 1
1 521 . 8 1 1 A 40 40 GLY HA3 H 40 3.768 3.923 -0.155 1
1 522 . 8 1 1 A 40 40 GLY C C 40 174.349 174.248 0.101 1
1 523 . 8 1 1 A 40 40 GLY CA C 40 45.758 45.167 0.591 1
1 524 . 8 1 1 A 40 40 GLY N N 40 106.796 113.131 -6.335 1
1 525 . 8 1 1 A 41 41 PHE H H 41 7.859 8.072 -0.213 1
1 526 . 8 1 1 A 41 41 PHE HA H 41 4.455 4.459 -0.004 1
1 534 . 8 1 1 A 41 41 PHE C C 41 176.028 176.659 -0.631 1
1 535 . 8 1 1 A 41 41 PHE CA C 41 58.735 58.194 0.541 1
1 536 . 8 1 1 A 41 41 PHE CB C 41 39.408 40.072 -0.664 1
1 542 . 8 1 1 A 41 41 PHE N N 41 120.317 121.340 -1.023 1
1 543 . 8 1 1 A 42 42 ARG H H 42 8.044 7.883 0.161 1
1 544 . 8 1 1 A 42 42 ARG HA H 42 4.269 3.853 0.416 1
1 551 . 8 1 1 A 42 42 ARG C C 42 176.487 176.608 -0.121 1
1 552 . 8 1 1 A 42 42 ARG CA C 42 56.505 58.574 -2.069 1
1 553 . 8 1 1 A 42 42 ARG CB C 42 30.801 29.415 1.386 1
1 556 . 8 1 1 A 42 42 ARG N N 42 121.581 123.577 -1.996 1
1 557 . 8 1 1 A 43 43 SER H H 43 8.218 7.979 0.239 1
1 558 . 8 1 1 A 43 43 SER HA H 43 4.389 4.491 -0.102 1
1 561 . 8 1 1 A 43 43 SER C C 43 174.872 174.328 0.544 1
1 562 . 8 1 1 A 43 43 SER CA C 43 58.809 57.812 0.997 1
1 563 . 8 1 1 A 43 43 SER CB C 43 63.615 62.581 1.034 1
1 564 . 8 1 1 A 43 43 SER N N 43 116.338 113.649 2.689 1
1 565 . 8 1 1 A 44 44 SER H H 44 8.247 8.316 -0.069 1
1 566 . 8 1 1 A 44 44 SER HA H 44 4.441 4.371 0.070 1
1 569 . 8 1 1 A 44 44 SER C C 44 174.653 174.349 0.304 1
1 570 . 8 1 1 A 44 44 SER CA C 44 58.697 61.316 -2.619 1
1 571 . 8 1 1 A 44 44 SER CB C 44 63.743 63.414 0.329 1
1 572 . 8 1 1 A 44 44 SER N N 44 117.375 120.681 -3.306 1
1 573 . 8 1 1 A 45 45 MET H H 45 8.194 8.085 0.109 1
1 574 . 8 1 1 A 45 45 MET HA H 45 4.417 4.112 0.305 1
1 579 . 8 1 1 A 45 45 MET C C 45 176.033 176.145 -0.112 1
1 580 . 8 1 1 A 45 45 MET CA C 45 55.795 56.138 -0.343 1
1 581 . 8 1 1 A 45 45 MET CB C 45 32.840 31.108 1.732 1
1 583 . 8 1 1 A 45 45 MET N N 45 122.021 119.299 2.722 1
1 584 . 8 1 1 A 46 46 LYS H H 46 8.220 7.853 0.367 1
1 585 . 8 1 1 A 46 46 LYS HA H 46 4.276 4.317 -0.041 1
1 594 . 8 1 1 A 46 46 LYS C C 46 176.299 176.524 -0.225 1
1 595 . 8 1 1 A 46 46 LYS CA C 46 56.399 55.926 0.473 1
1 596 . 8 1 1 A 46 46 LYS CB C 46 32.834 33.568 -0.734 1
1 600 . 8 1 1 A 46 46 LYS N N 46 122.277 121.167 1.110 1
1 601 . 8 1 1 A 47 47 LEU H H 47 8.210 8.424 -0.214 1
1 602 . 8 1 1 A 47 47 LEU HA H 47 4.299 4.335 -0.036 1
1 612 . 8 1 1 A 47 47 LEU C C 47 177.189 177.287 -0.098 1
1 613 . 8 1 1 A 47 47 LEU CA C 47 55.134 55.021 0.113 1
1 614 . 8 1 1 A 47 47 LEU CB C 47 42.301 42.458 -0.157 1
1 618 . 8 1 1 A 47 47 LEU N N 47 123.549 124.822 -1.273 1
1 9 . 9 1 1 A 2 2 ILE HA H 2 4.350 4.454 -0.104 1
1 19 . 9 1 1 A 2 2 ILE C C 2 174.508 175.527 -1.019 1
1 20 . 9 1 1 A 2 2 ILE CA C 2 61.095 61.560 -0.465 1
1 21 . 9 1 1 A 2 2 ILE CB C 2 39.193 39.489 -0.296 1
1 25 . 9 1 1 A 3 3 SER H H 3 8.112 8.617 -0.505 1
1 26 . 9 1 1 A 3 3 SER HA H 3 4.414 4.678 -0.264 1
1 29 . 9 1 1 A 3 3 SER C C 3 174.652 175.719 -1.067 1
1 30 . 9 1 1 A 3 3 SER CA C 3 57.714 57.614 0.100 1
1 31 . 9 1 1 A 3 3 SER CB C 3 64.725 64.726 -0.001 1
1 32 . 9 1 1 A 3 3 SER N N 3 119.280 120.038 -0.758 1
1 33 . 9 1 1 A 4 4 ASN H H 4 8.832 9.039 -0.207 1
1 34 . 9 1 1 A 4 4 ASN HA H 4 4.511 4.498 0.013 1
1 39 . 9 1 1 A 4 4 ASN C C 4 177.606 177.753 -0.147 1
1 40 . 9 1 1 A 4 4 ASN CA C 4 55.617 56.049 -0.432 1
1 41 . 9 1 1 A 4 4 ASN CB C 4 37.972 38.000 -0.028 1
1 43 . 9 1 1 A 4 4 ASN N N 4 120.760 120.285 0.475 1
1 45 . 9 1 1 A 5 5 ALA H H 5 8.504 8.257 0.247 1
1 46 . 9 1 1 A 5 5 ALA HA H 5 4.191 3.976 0.215 1
1 50 . 9 1 1 A 5 5 ALA C C 5 180.504 179.538 0.966 1
1 51 . 9 1 1 A 5 5 ALA CA C 5 54.896 55.527 -0.631 1
1 52 . 9 1 1 A 5 5 ALA CB C 5 18.468 18.367 0.101 1
1 53 . 9 1 1 A 5 5 ALA N N 5 123.401 122.666 0.735 1
1 54 . 9 1 1 A 6 6 LYS H H 6 7.844 7.894 -0.050 1
1 55 . 9 1 1 A 6 6 LYS HA H 6 4.119 4.024 0.095 1
1 64 . 9 1 1 A 6 6 LYS C C 6 178.320 179.705 -1.385 1
1 65 . 9 1 1 A 6 6 LYS CA C 6 59.550 59.272 0.278 1
1 66 . 9 1 1 A 6 6 LYS CB C 6 32.639 32.507 0.132 1
1 70 . 9 1 1 A 6 6 LYS N N 6 119.908 117.357 2.551 1
1 71 . 9 1 1 A 7 7 ILE H H 7 7.887 8.137 -0.250 1
1 72 . 9 1 1 A 7 7 ILE HA H 7 3.615 3.670 -0.055 1
1 82 . 9 1 1 A 7 7 ILE C C 7 177.784 177.840 -0.056 1
1 83 . 9 1 1 A 7 7 ILE CA C 7 64.351 65.524 -1.173 1
1 84 . 9 1 1 A 7 7 ILE CB C 7 37.623 37.848 -0.225 1
1 88 . 9 1 1 A 7 7 ILE N N 7 120.487 121.189 -0.702 1
1 89 . 9 1 1 A 8 8 ALA H H 8 8.062 8.593 -0.531 1
1 90 . 9 1 1 A 8 8 ALA HA H 8 4.160 3.976 0.184 1
1 94 . 9 1 1 A 8 8 ALA C C 8 180.625 178.992 1.633 1
1 95 . 9 1 1 A 8 8 ALA CA C 8 55.102 55.716 -0.614 1
1 96 . 9 1 1 A 8 8 ALA CB C 8 17.517 18.840 -1.323 1
1 97 . 9 1 1 A 8 8 ALA N N 8 121.576 122.083 -0.507 1
1 98 . 9 1 1 A 9 9 ARG H H 9 7.769 7.631 0.138 1
1 99 . 9 1 1 A 9 9 ARG HA H 9 4.226 4.122 0.104 1
1 107 . 9 1 1 A 9 9 ARG C C 9 178.076 178.956 -0.880 1
1 108 . 9 1 1 A 9 9 ARG CA C 9 57.517 58.637 -1.120 1
1 109 . 9 1 1 A 9 9 ARG CB C 9 29.638 29.919 -0.281 1
1 112 . 9 1 1 A 9 9 ARG N N 9 120.694 118.486 2.208 1
1 114 . 9 1 1 A 10 10 ILE H H 10 8.462 8.278 0.184 1
1 115 . 9 1 1 A 10 10 ILE HA H 10 3.576 3.511 0.065 1
1 125 . 9 1 1 A 10 10 ILE C C 10 179.221 177.892 1.329 1
1 126 . 9 1 1 A 10 10 ILE CA C 10 66.414 65.617 0.797 1
1 127 . 9 1 1 A 10 10 ILE CB C 10 37.872 37.881 -0.009 1
1 131 . 9 1 1 A 10 10 ILE N N 10 121.475 119.997 1.478 1
1 132 . 9 1 1 A 11 11 ASN H H 11 8.161 8.425 -0.264 1
1 133 . 9 1 1 A 11 11 ASN HA H 11 4.485 4.430 0.055 1
1 138 . 9 1 1 A 11 11 ASN C C 11 178.124 178.016 0.108 1
1 139 . 9 1 1 A 11 11 ASN CA C 11 55.961 56.720 -0.759 1
1 140 . 9 1 1 A 11 11 ASN CB C 11 37.642 37.825 -0.183 1
1 142 . 9 1 1 A 11 11 ASN N N 11 119.357 117.970 1.387 1
1 144 . 9 1 1 A 12 12 GLU H H 12 8.528 8.268 0.260 1
1 145 . 9 1 1 A 12 12 GLU HA H 12 4.111 4.032 0.079 1
1 150 . 9 1 1 A 12 12 GLU C C 12 179.650 179.529 0.121 1
1 151 . 9 1 1 A 12 12 GLU CA C 12 59.252 59.111 0.141 1
1 152 . 9 1 1 A 12 12 GLU CB C 12 30.026 29.365 0.661 1
1 154 . 9 1 1 A 12 12 GLU N N 12 124.689 119.936 4.753 1
1 155 . 9 1 1 A 13 13 LEU H H 13 8.669 8.387 0.282 1
1 156 . 9 1 1 A 13 13 LEU HA H 13 3.948 4.077 -0.129 1
1 166 . 9 1 1 A 13 13 LEU C C 13 178.491 179.190 -0.699 1
1 167 . 9 1 1 A 13 13 LEU CA C 13 57.835 57.577 0.258 1
1 168 . 9 1 1 A 13 13 LEU CB C 13 41.160 40.780 0.380 1
1 172 . 9 1 1 A 13 13 LEU N N 13 119.467 120.019 -0.552 1
1 173 . 9 1 1 A 14 14 ALA H H 14 8.326 8.527 -0.201 1
1 174 . 9 1 1 A 14 14 ALA HA H 14 4.076 3.963 0.113 1
1 178 . 9 1 1 A 14 14 ALA C C 14 180.903 179.550 1.353 1
1 179 . 9 1 1 A 14 14 ALA CA C 14 55.100 55.694 -0.594 1
1 180 . 9 1 1 A 14 14 ALA CB C 14 17.838 17.800 0.038 1
1 181 . 9 1 1 A 14 14 ALA N N 14 122.290 122.559 -0.269 1
1 182 . 9 1 1 A 15 15 ALA H H 15 7.794 7.761 0.033 1
1 183 . 9 1 1 A 15 15 ALA HA H 15 4.176 4.059 0.117 1
1 187 . 9 1 1 A 15 15 ALA C C 15 181.255 179.537 1.718 1
1 188 . 9 1 1 A 15 15 ALA CA C 15 55.196 55.093 0.103 1
1 189 . 9 1 1 A 15 15 ALA CB C 15 17.568 17.910 -0.342 1
1 190 . 9 1 1 A 15 15 ALA N N 15 121.829 119.981 1.848 1
1 191 . 9 1 1 A 16 16 LYS H H 16 7.977 8.016 -0.039 1
1 192 . 9 1 1 A 16 16 LYS HA H 16 4.026 3.992 0.034 1
1 201 . 9 1 1 A 16 16 LYS C C 16 179.086 179.060 0.026 1
1 202 . 9 1 1 A 16 16 LYS CA C 16 59.878 59.346 0.532 1
1 203 . 9 1 1 A 16 16 LYS CB C 16 32.727 32.089 0.638 1
1 207 . 9 1 1 A 16 16 LYS N N 16 120.084 116.727 3.357 1
1 208 . 9 1 1 A 17 17 ALA H H 17 8.527 8.294 0.233 1
1 209 . 9 1 1 A 17 17 ALA HA H 17 4.026 3.987 0.039 1
1 213 . 9 1 1 A 17 17 ALA C C 17 181.147 179.321 1.826 1
1 214 . 9 1 1 A 17 17 ALA CA C 17 54.993 55.400 -0.407 1
1 215 . 9 1 1 A 17 17 ALA CB C 17 17.858 18.174 -0.316 1
1 216 . 9 1 1 A 17 17 ALA N N 17 123.164 122.333 0.831 1
1 217 . 9 1 1 A 18 18 LYS H H 18 8.125 8.021 0.104 1
1 218 . 9 1 1 A 18 18 LYS HA H 18 4.053 4.005 0.048 1
1 227 . 9 1 1 A 18 18 LYS C C 18 177.994 179.205 -1.211 1
1 228 . 9 1 1 A 18 18 LYS CA C 18 58.961 59.140 -0.179 1
1 229 . 9 1 1 A 18 18 LYS CB C 18 32.400 31.966 0.434 1
1 233 . 9 1 1 A 18 18 LYS N N 18 120.927 116.721 4.206 1
1 234 . 9 1 1 A 19 19 ALA H H 19 7.659 7.636 0.023 1
1 235 . 9 1 1 A 19 19 ALA HA H 19 4.355 4.310 0.045 1
1 239 . 9 1 1 A 19 19 ALA C C 19 177.769 177.928 -0.159 1
1 240 . 9 1 1 A 19 19 ALA CA C 19 52.453 52.218 0.235 1
1 241 . 9 1 1 A 19 19 ALA CB C 19 19.483 19.430 0.053 1
1 242 . 9 1 1 A 19 19 ALA N N 19 118.300 118.417 -0.117 1
1 243 . 9 1 1 A 20 20 GLY H H 20 7.758 7.743 0.015 1
1 244 . 9 1 1 A 20 20 GLY HA2 H 20 4.180 3.939 0.241 1
1 245 . 9 1 1 A 20 20 GLY HA3 H 20 3.947 3.940 0.007 1
1 246 . 9 1 1 A 20 20 GLY C C 20 175.031 175.004 0.027 1
1 247 . 9 1 1 A 20 20 GLY CA C 20 45.907 46.065 -0.158 1
1 248 . 9 1 1 A 20 20 GLY N N 20 105.949 106.208 -0.259 1
1 249 . 9 1 1 A 21 21 VAL H H 21 7.678 7.943 -0.265 1
1 250 . 9 1 1 A 21 21 VAL HA H 21 4.608 4.434 0.174 1
1 258 . 9 1 1 A 21 21 VAL C C 21 175.837 175.209 0.628 1
1 259 . 9 1 1 A 21 21 VAL CA C 21 60.158 61.282 -1.124 1
1 260 . 9 1 1 A 21 21 VAL CB C 21 32.525 31.822 0.703 1
1 263 . 9 1 1 A 21 21 VAL N N 21 109.739 116.342 -6.603 1
1 264 . 9 1 1 A 22 22 ILE H H 22 6.842 7.430 -0.588 1
1 265 . 9 1 1 A 22 22 ILE HA H 22 4.347 4.381 -0.034 1
1 275 . 9 1 1 A 22 22 ILE C C 22 174.145 175.533 -1.388 1
1 276 . 9 1 1 A 22 22 ILE CA C 22 61.285 60.648 0.637 1
1 277 . 9 1 1 A 22 22 ILE CB C 22 40.142 39.624 0.518 1
1 281 . 9 1 1 A 22 22 ILE N N 22 124.020 124.441 -0.421 1
1 282 . 9 1 1 A 23 23 THR H H 23 9.104 8.392 0.712 1
1 283 . 9 1 1 A 23 23 THR HA H 23 4.597 4.646 -0.049 1
1 288 . 9 1 1 A 23 23 THR C C 23 175.820 175.959 -0.139 1
1 289 . 9 1 1 A 23 23 THR CA C 23 61.139 60.675 0.464 1
1 290 . 9 1 1 A 23 23 THR CB C 23 71.396 71.063 0.333 1
1 292 . 9 1 1 A 23 23 THR N N 23 120.184 118.052 2.132 1
1 293 . 9 1 1 A 24 24 GLU H H 24 9.011 9.072 -0.061 1
1 294 . 9 1 1 A 24 24 GLU HA H 24 3.965 4.022 -0.057 1
1 299 . 9 1 1 A 24 24 GLU C C 24 180.012 178.954 1.058 1
1 300 . 9 1 1 A 24 24 GLU CA C 24 60.049 59.798 0.251 1
1 301 . 9 1 1 A 24 24 GLU CB C 24 29.095 29.296 -0.201 1
1 303 . 9 1 1 A 24 24 GLU N N 24 120.289 121.590 -1.301 1
1 304 . 9 1 1 A 25 25 GLU H H 25 8.917 8.408 0.509 1
1 305 . 9 1 1 A 25 25 GLU HA H 25 4.116 4.028 0.088 1
1 310 . 9 1 1 A 25 25 GLU C C 25 180.164 179.331 0.833 1
1 311 . 9 1 1 A 25 25 GLU CA C 25 60.042 59.636 0.406 1
1 312 . 9 1 1 A 25 25 GLU CB C 25 29.131 28.897 0.234 1
1 314 . 9 1 1 A 25 25 GLU N N 25 120.676 119.845 0.831 1
1 315 . 9 1 1 A 26 26 GLU H H 26 7.837 8.107 -0.270 1
1 316 . 9 1 1 A 26 26 GLU HA H 26 4.074 4.041 0.033 1
1 321 . 9 1 1 A 26 26 GLU C C 26 179.093 178.842 0.251 1
1 322 . 9 1 1 A 26 26 GLU CA C 26 58.684 59.077 -0.393 1
1 323 . 9 1 1 A 26 26 GLU CB C 26 30.606 29.120 1.486 1
1 325 . 9 1 1 A 26 26 GLU N N 26 121.997 117.606 4.391 1
1 326 . 9 1 1 A 27 27 LYS H H 27 8.659 8.098 0.561 1
1 327 . 9 1 1 A 27 27 LYS HA H 27 3.964 4.037 -0.073 1
1 336 . 9 1 1 A 27 27 LYS C C 27 179.776 179.084 0.692 1
1 337 . 9 1 1 A 27 27 LYS CA C 27 60.129 59.485 0.644 1
1 338 . 9 1 1 A 27 27 LYS CB C 27 32.537 32.339 0.198 1
1 342 . 9 1 1 A 27 27 LYS N N 27 121.367 119.895 1.472 1
1 343 . 9 1 1 A 28 28 ALA H H 28 7.648 8.315 -0.667 1
1 344 . 9 1 1 A 28 28 ALA HA H 28 4.216 4.159 0.057 1
1 348 . 9 1 1 A 28 28 ALA C C 28 180.525 179.261 1.264 1
1 349 . 9 1 1 A 28 28 ALA CA C 28 55.014 54.830 0.184 1
1 350 . 9 1 1 A 28 28 ALA CB C 28 17.610 18.281 -0.671 1
1 351 . 9 1 1 A 28 28 ALA N N 28 122.685 121.923 0.762 1
1 352 . 9 1 1 A 29 29 GLU H H 29 7.915 8.354 -0.439 1
1 353 . 9 1 1 A 29 29 GLU HA H 29 3.971 4.000 -0.029 1
1 358 . 9 1 1 A 29 29 GLU C C 29 178.193 178.676 -0.483 1
1 359 . 9 1 1 A 29 29 GLU CA C 29 59.269 59.700 -0.431 1
1 360 . 9 1 1 A 29 29 GLU CB C 29 29.467 29.043 0.424 1
1 362 . 9 1 1 A 29 29 GLU N N 29 122.691 118.535 4.156 1
1 363 . 9 1 1 A 30 30 GLN H H 30 8.891 8.416 0.475 1
1 364 . 9 1 1 A 30 30 GLN HA H 30 3.805 3.980 -0.175 1
1 371 . 9 1 1 A 30 30 GLN C C 30 177.828 178.432 -0.604 1
1 372 . 9 1 1 A 30 30 GLN CA C 30 59.703 59.246 0.457 1
1 373 . 9 1 1 A 30 30 GLN CB C 30 29.404 28.214 1.190 1
1 376 . 9 1 1 A 30 30 GLN N N 30 119.325 119.257 0.068 1
1 378 . 9 1 1 A 31 31 GLN H H 31 7.874 8.273 -0.399 1
1 379 . 9 1 1 A 31 31 GLN HA H 31 4.085 3.936 0.149 1
1 386 . 9 1 1 A 31 31 GLN C C 31 178.371 178.417 -0.046 1
1 387 . 9 1 1 A 31 31 GLN CA C 31 58.842 58.939 -0.097 1
1 388 . 9 1 1 A 31 31 GLN CB C 31 28.283 28.344 -0.061 1
1 391 . 9 1 1 A 31 31 GLN N N 31 118.010 118.734 -0.724 1
1 393 . 9 1 1 A 32 32 LYS H H 32 7.739 7.858 -0.119 1
1 394 . 9 1 1 A 32 32 LYS HA H 32 4.096 4.072 0.024 1
1 403 . 9 1 1 A 32 32 LYS C C 32 179.952 178.869 1.083 1
1 404 . 9 1 1 A 32 32 LYS CA C 32 59.708 59.350 0.358 1
1 405 . 9 1 1 A 32 32 LYS CB C 32 32.403 32.009 0.394 1
1 409 . 9 1 1 A 32 32 LYS N N 32 120.842 121.262 -0.420 1
1 410 . 9 1 1 A 33 33 LEU H H 33 8.617 8.559 0.058 1
1 411 . 9 1 1 A 33 33 LEU HA H 33 4.153 3.968 0.185 1
1 421 . 9 1 1 A 33 33 LEU C C 33 179.446 179.433 0.013 1
1 422 . 9 1 1 A 33 33 LEU CA C 33 57.774 58.034 -0.260 1
1 423 . 9 1 1 A 33 33 LEU CB C 33 42.585 41.625 0.960 1
1 427 . 9 1 1 A 33 33 LEU N N 33 120.088 119.226 0.862 1
1 428 . 9 1 1 A 34 34 ARG H H 34 8.413 8.454 -0.041 1
1 429 . 9 1 1 A 34 34 ARG HA H 34 4.009 3.976 0.033 1
1 436 . 9 1 1 A 34 34 ARG C C 34 178.614 178.946 -0.332 1
1 437 . 9 1 1 A 34 34 ARG CA C 34 59.839 59.663 0.176 1
1 438 . 9 1 1 A 34 34 ARG CB C 34 29.772 29.687 0.085 1
1 441 . 9 1 1 A 34 34 ARG N N 34 119.206 119.566 -0.360 1
1 442 . 9 1 1 A 35 35 GLN H H 35 7.850 7.996 -0.146 1
1 443 . 9 1 1 A 35 35 GLN HA H 35 4.085 4.131 -0.046 1
1 450 . 9 1 1 A 35 35 GLN C C 35 178.621 178.932 -0.311 1
1 451 . 9 1 1 A 35 35 GLN CA C 35 58.771 58.850 -0.079 1
1 452 . 9 1 1 A 35 35 GLN CB C 35 28.331 28.560 -0.229 1
1 455 . 9 1 1 A 35 35 GLN N N 35 117.434 118.952 -1.518 1
1 457 . 9 1 1 A 36 36 GLU H H 36 7.939 8.286 -0.347 1
1 458 . 9 1 1 A 36 36 GLU HA H 36 4.015 4.110 -0.095 1
1 463 . 9 1 1 A 36 36 GLU C C 36 178.975 178.674 0.301 1
1 464 . 9 1 1 A 36 36 GLU CA C 36 59.271 58.898 0.373 1
1 465 . 9 1 1 A 36 36 GLU CB C 36 29.750 29.662 0.088 1
1 467 . 9 1 1 A 36 36 GLU N N 36 119.554 120.947 -1.393 1
1 468 . 9 1 1 A 37 37 TYR H H 37 8.578 8.145 0.433 1
1 469 . 9 1 1 A 37 37 TYR HA H 37 4.164 4.111 0.053 1
1 476 . 9 1 1 A 37 37 TYR C C 37 177.550 177.231 0.319 1
1 477 . 9 1 1 A 37 37 TYR CA C 37 60.590 61.182 -0.592 1
1 478 . 9 1 1 A 37 37 TYR CB C 37 38.709 38.654 0.055 1
1 483 . 9 1 1 A 37 37 TYR N N 37 120.782 122.396 -1.614 1
1 484 . 9 1 1 A 38 38 LEU H H 38 8.229 7.781 0.448 1
1 485 . 9 1 1 A 38 38 LEU HA H 38 4.072 4.224 -0.152 1
1 495 . 9 1 1 A 38 38 LEU C C 38 178.983 177.238 1.745 1
1 496 . 9 1 1 A 38 38 LEU CA C 38 57.053 56.758 0.295 1
1 497 . 9 1 1 A 38 38 LEU CB C 38 42.020 42.160 -0.140 1
1 501 . 9 1 1 A 38 38 LEU N N 38 119.275 119.626 -0.351 1
1 502 . 9 1 1 A 39 39 LYS H H 39 7.790 7.215 0.575 1
1 503 . 9 1 1 A 39 39 LYS HA H 39 4.152 4.147 0.005 1
1 512 . 9 1 1 A 39 39 LYS C C 39 178.123 177.411 0.712 1
1 513 . 9 1 1 A 39 39 LYS CA C 39 58.197 58.369 -0.172 1
1 514 . 9 1 1 A 39 39 LYS CB C 39 32.466 32.029 0.437 1
1 518 . 9 1 1 A 39 39 LYS N N 39 118.917 120.633 -1.716 1
1 519 . 9 1 1 A 40 40 GLY H H 40 7.885 9.003 -1.118 1
1 520 . 9 1 1 A 40 40 GLY HA2 H 40 3.970 3.939 0.031 1
1 521 . 9 1 1 A 40 40 GLY HA3 H 40 3.768 3.942 -0.174 1
1 522 . 9 1 1 A 40 40 GLY C C 40 174.349 174.057 0.292 1
1 523 . 9 1 1 A 40 40 GLY CA C 40 45.758 45.274 0.484 1
1 524 . 9 1 1 A 40 40 GLY N N 40 106.796 112.684 -5.888 1
1 525 . 9 1 1 A 41 41 PHE H H 41 7.859 8.114 -0.255 1
1 526 . 9 1 1 A 41 41 PHE HA H 41 4.455 4.467 -0.012 1
1 534 . 9 1 1 A 41 41 PHE C C 41 176.028 174.426 1.602 1
1 535 . 9 1 1 A 41 41 PHE CA C 41 58.735 56.342 2.393 1
1 536 . 9 1 1 A 41 41 PHE CB C 41 39.408 38.834 0.574 1
1 542 . 9 1 1 A 41 41 PHE N N 41 120.317 121.845 -1.528 1
1 543 . 9 1 1 A 42 42 ARG H H 42 8.044 8.293 -0.249 1
1 544 . 9 1 1 A 42 42 ARG HA H 42 4.269 4.447 -0.178 1
1 551 . 9 1 1 A 42 42 ARG C C 42 176.487 175.935 0.552 1
1 552 . 9 1 1 A 42 42 ARG CA C 42 56.505 54.397 2.108 1
1 553 . 9 1 1 A 42 42 ARG CB C 42 30.801 31.113 -0.312 1
1 556 . 9 1 1 A 42 42 ARG N N 42 121.581 128.322 -6.741 1
1 557 . 9 1 1 A 43 43 SER H H 43 8.218 8.730 -0.512 1
1 558 . 9 1 1 A 43 43 SER HA H 43 4.389 4.128 0.261 1
1 561 . 9 1 1 A 43 43 SER C C 43 174.872 174.096 0.776 1
1 562 . 9 1 1 A 43 43 SER CA C 43 58.809 60.220 -1.411 1
1 563 . 9 1 1 A 43 43 SER CB C 43 63.615 62.381 1.234 1
1 564 . 9 1 1 A 43 43 SER N N 43 116.338 121.729 -5.391 1
1 565 . 9 1 1 A 44 44 SER H H 44 8.247 8.068 0.179 1
1 566 . 9 1 1 A 44 44 SER HA H 44 4.441 4.078 0.363 1
1 569 . 9 1 1 A 44 44 SER C C 44 174.653 173.373 1.280 1
1 570 . 9 1 1 A 44 44 SER CA C 44 58.697 59.163 -0.466 1
1 571 . 9 1 1 A 44 44 SER CB C 44 63.743 61.663 2.080 1
1 572 . 9 1 1 A 44 44 SER N N 44 117.375 113.154 4.221 1
1 573 . 9 1 1 A 45 45 MET H H 45 8.194 7.844 0.350 1
1 574 . 9 1 1 A 45 45 MET HA H 45 4.417 4.636 -0.219 1
1 579 . 9 1 1 A 45 45 MET C C 45 176.033 175.279 0.754 1
1 580 . 9 1 1 A 45 45 MET CA C 45 55.795 54.154 1.641 1
1 581 . 9 1 1 A 45 45 MET CB C 45 32.840 32.858 -0.018 1
1 583 . 9 1 1 A 45 45 MET N N 45 122.021 120.129 1.892 1
1 584 . 9 1 1 A 46 46 LYS H H 46 8.220 9.036 -0.816 1
1 585 . 9 1 1 A 46 46 LYS HA H 46 4.276 5.065 -0.789 1
1 594 . 9 1 1 A 46 46 LYS C C 46 176.299 174.685 1.614 1
1 595 . 9 1 1 A 46 46 LYS CA C 46 56.399 54.916 1.483 1
1 596 . 9 1 1 A 46 46 LYS CB C 46 32.834 34.269 -1.435 1
1 600 . 9 1 1 A 46 46 LYS N N 46 122.277 121.249 1.028 1
1 601 . 9 1 1 A 47 47 LEU H H 47 8.210 8.895 -0.685 1
1 602 . 9 1 1 A 47 47 LEU HA H 47 4.299 4.866 -0.567 1
1 612 . 9 1 1 A 47 47 LEU C C 47 177.189 176.699 0.490 1
1 613 . 9 1 1 A 47 47 LEU CA C 47 55.134 53.823 1.311 1
1 614 . 9 1 1 A 47 47 LEU CB C 47 42.301 43.434 -1.133 1
1 618 . 9 1 1 A 47 47 LEU N N 47 123.549 127.446 -3.897 1
1 9 . 10 1 1 A 2 2 ILE HA H 2 4.350 4.530 -0.180 1
1 19 . 10 1 1 A 2 2 ILE C C 2 174.508 175.643 -1.135 1
1 20 . 10 1 1 A 2 2 ILE CA C 2 61.095 60.888 0.207 1
1 21 . 10 1 1 A 2 2 ILE CB C 2 39.193 38.833 0.360 1
1 25 . 10 1 1 A 3 3 SER H H 3 8.112 8.667 -0.555 1
1 26 . 10 1 1 A 3 3 SER HA H 3 4.414 4.450 -0.036 1
1 29 . 10 1 1 A 3 3 SER C C 3 174.652 176.119 -1.467 1
1 30 . 10 1 1 A 3 3 SER CA C 3 57.714 59.470 -1.756 1
1 31 . 10 1 1 A 3 3 SER CB C 3 64.725 63.562 1.163 1
1 32 . 10 1 1 A 3 3 SER N N 3 119.280 125.371 -6.091 1
1 33 . 10 1 1 A 4 4 ASN H H 4 8.832 9.019 -0.187 1
1 34 . 10 1 1 A 4 4 ASN HA H 4 4.511 4.380 0.131 1
1 39 . 10 1 1 A 4 4 ASN C C 4 177.606 177.618 -0.012 1
1 40 . 10 1 1 A 4 4 ASN CA C 4 55.617 55.864 -0.247 1
1 41 . 10 1 1 A 4 4 ASN CB C 4 37.972 37.562 0.410 1
1 43 . 10 1 1 A 4 4 ASN N N 4 120.760 122.409 -1.649 1
1 45 . 10 1 1 A 5 5 ALA H H 5 8.504 8.231 0.273 1
1 46 . 10 1 1 A 5 5 ALA HA H 5 4.191 4.017 0.174 1
1 50 . 10 1 1 A 5 5 ALA C C 5 180.504 179.867 0.637 1
1 51 . 10 1 1 A 5 5 ALA CA C 5 54.896 55.002 -0.106 1
1 52 . 10 1 1 A 5 5 ALA CB C 5 18.468 18.408 0.060 1
1 53 . 10 1 1 A 5 5 ALA N N 5 123.401 121.735 1.666 1
1 54 . 10 1 1 A 6 6 LYS H H 6 7.844 7.862 -0.018 1
1 55 . 10 1 1 A 6 6 LYS HA H 6 4.119 4.120 -0.001 1
1 64 . 10 1 1 A 6 6 LYS C C 6 178.320 179.514 -1.194 1
1 65 . 10 1 1 A 6 6 LYS CA C 6 59.550 59.399 0.151 1
1 66 . 10 1 1 A 6 6 LYS CB C 6 32.639 32.584 0.055 1
1 70 . 10 1 1 A 6 6 LYS N N 6 119.908 117.347 2.561 1
1 71 . 10 1 1 A 7 7 ILE H H 7 7.887 8.125 -0.238 1
1 72 . 10 1 1 A 7 7 ILE HA H 7 3.615 3.633 -0.018 1
1 82 . 10 1 1 A 7 7 ILE C C 7 177.784 177.457 0.327 1
1 83 . 10 1 1 A 7 7 ILE CA C 7 64.351 66.062 -1.711 1
1 84 . 10 1 1 A 7 7 ILE CB C 7 37.623 37.924 -0.301 1
1 88 . 10 1 1 A 7 7 ILE N N 7 120.487 120.920 -0.433 1
1 89 . 10 1 1 A 8 8 ALA H H 8 8.062 8.371 -0.309 1
1 90 . 10 1 1 A 8 8 ALA HA H 8 4.160 3.917 0.243 1
1 94 . 10 1 1 A 8 8 ALA C C 8 180.625 179.308 1.317 1
1 95 . 10 1 1 A 8 8 ALA CA C 8 55.102 55.175 -0.073 1
1 96 . 10 1 1 A 8 8 ALA CB C 8 17.517 18.211 -0.694 1
1 97 . 10 1 1 A 8 8 ALA N N 8 121.576 121.629 -0.053 1
1 98 . 10 1 1 A 9 9 ARG H H 9 7.769 7.767 0.002 1
1 99 . 10 1 1 A 9 9 ARG HA H 9 4.226 4.140 0.086 1
1 107 . 10 1 1 A 9 9 ARG C C 9 178.076 178.917 -0.841 1
1 108 . 10 1 1 A 9 9 ARG CA C 9 57.517 58.768 -1.251 1
1 109 . 10 1 1 A 9 9 ARG CB C 9 29.638 29.912 -0.274 1
1 112 . 10 1 1 A 9 9 ARG N N 9 120.694 118.597 2.097 1
1 114 . 10 1 1 A 10 10 ILE H H 10 8.462 8.359 0.103 1
1 115 . 10 1 1 A 10 10 ILE HA H 10 3.576 3.531 0.045 1
1 125 . 10 1 1 A 10 10 ILE C C 10 179.221 177.810 1.411 1
1 126 . 10 1 1 A 10 10 ILE CA C 10 66.414 65.535 0.879 1
1 127 . 10 1 1 A 10 10 ILE CB C 10 37.872 37.685 0.187 1
1 131 . 10 1 1 A 10 10 ILE N N 10 121.475 119.704 1.771 1
1 132 . 10 1 1 A 11 11 ASN H H 11 8.161 8.134 0.027 1
1 133 . 10 1 1 A 11 11 ASN HA H 11 4.485 4.423 0.062 1
1 138 . 10 1 1 A 11 11 ASN C C 11 178.124 178.093 0.031 1
1 139 . 10 1 1 A 11 11 ASN CA C 11 55.961 56.722 -0.761 1
1 140 . 10 1 1 A 11 11 ASN CB C 11 37.642 37.725 -0.083 1
1 142 . 10 1 1 A 11 11 ASN N N 11 119.357 118.007 1.350 1
1 144 . 10 1 1 A 12 12 GLU H H 12 8.528 8.151 0.377 1
1 145 . 10 1 1 A 12 12 GLU HA H 12 4.111 4.031 0.080 1
1 150 . 10 1 1 A 12 12 GLU C C 12 179.650 179.375 0.275 1
1 151 . 10 1 1 A 12 12 GLU CA C 12 59.252 59.032 0.220 1
1 152 . 10 1 1 A 12 12 GLU CB C 12 30.026 29.442 0.584 1
1 154 . 10 1 1 A 12 12 GLU N N 12 124.689 119.712 4.977 1
1 155 . 10 1 1 A 13 13 LEU H H 13 8.669 8.493 0.176 1
1 156 . 10 1 1 A 13 13 LEU HA H 13 3.948 3.899 0.049 1
1 166 . 10 1 1 A 13 13 LEU C C 13 178.491 178.747 -0.256 1
1 167 . 10 1 1 A 13 13 LEU CA C 13 57.835 57.902 -0.067 1
1 168 . 10 1 1 A 13 13 LEU CB C 13 41.160 41.690 -0.530 1
1 172 . 10 1 1 A 13 13 LEU N N 13 119.467 119.823 -0.356 1
1 173 . 10 1 1 A 14 14 ALA H H 14 8.326 8.451 -0.125 1
1 174 . 10 1 1 A 14 14 ALA HA H 14 4.076 3.865 0.211 1
1 178 . 10 1 1 A 14 14 ALA C C 14 180.903 179.120 1.783 1
1 179 . 10 1 1 A 14 14 ALA CA C 14 55.100 55.516 -0.416 1
1 180 . 10 1 1 A 14 14 ALA CB C 14 17.838 17.690 0.148 1
1 181 . 10 1 1 A 14 14 ALA N N 14 122.290 122.174 0.116 1
1 182 . 10 1 1 A 15 15 ALA H H 15 7.794 8.007 -0.213 1
1 183 . 10 1 1 A 15 15 ALA HA H 15 4.176 4.014 0.162 1
1 187 . 10 1 1 A 15 15 ALA C C 15 181.255 179.897 1.358 1
1 188 . 10 1 1 A 15 15 ALA CA C 15 55.196 55.013 0.183 1
1 189 . 10 1 1 A 15 15 ALA CB C 15 17.568 18.390 -0.822 1
1 190 . 10 1 1 A 15 15 ALA N N 15 121.829 120.513 1.316 1
1 191 . 10 1 1 A 16 16 LYS H H 16 7.977 8.154 -0.177 1
1 192 . 10 1 1 A 16 16 LYS HA H 16 4.026 4.036 -0.010 1
1 201 . 10 1 1 A 16 16 LYS C C 16 179.086 179.081 0.005 1
1 202 . 10 1 1 A 16 16 LYS CA C 16 59.878 59.413 0.465 1
1 203 . 10 1 1 A 16 16 LYS CB C 16 32.727 32.127 0.600 1
1 207 . 10 1 1 A 16 16 LYS N N 16 120.084 116.551 3.533 1
1 208 . 10 1 1 A 17 17 ALA H H 17 8.527 8.195 0.332 1
1 209 . 10 1 1 A 17 17 ALA HA H 17 4.026 4.024 0.002 1
1 213 . 10 1 1 A 17 17 ALA C C 17 181.147 179.552 1.595 1
1 214 . 10 1 1 A 17 17 ALA CA C 17 54.993 55.368 -0.375 1
1 215 . 10 1 1 A 17 17 ALA CB C 17 17.858 18.177 -0.319 1
1 216 . 10 1 1 A 17 17 ALA N N 17 123.164 122.043 1.121 1
1 217 . 10 1 1 A 18 18 LYS H H 18 8.125 8.232 -0.107 1
1 218 . 10 1 1 A 18 18 LYS HA H 18 4.053 4.077 -0.024 1
1 227 . 10 1 1 A 18 18 LYS C C 18 177.994 178.305 -0.311 1
1 228 . 10 1 1 A 18 18 LYS CA C 18 58.961 58.939 0.022 1
1 229 . 10 1 1 A 18 18 LYS CB C 18 32.400 32.153 0.247 1
1 233 . 10 1 1 A 18 18 LYS N N 18 120.927 117.183 3.744 1
1 234 . 10 1 1 A 19 19 ALA H H 19 7.659 7.576 0.083 1
1 235 . 10 1 1 A 19 19 ALA HA H 19 4.355 4.318 0.037 1
1 239 . 10 1 1 A 19 19 ALA C C 19 177.769 177.893 -0.124 1
1 240 . 10 1 1 A 19 19 ALA CA C 19 52.453 52.330 0.123 1
1 241 . 10 1 1 A 19 19 ALA CB C 19 19.483 19.726 -0.243 1
1 242 . 10 1 1 A 19 19 ALA N N 19 118.300 118.780 -0.480 1
1 243 . 10 1 1 A 20 20 GLY H H 20 7.758 8.020 -0.262 1
1 244 . 10 1 1 A 20 20 GLY HA2 H 20 4.180 3.974 0.206 1
1 245 . 10 1 1 A 20 20 GLY HA3 H 20 3.947 3.975 -0.028 1
1 246 . 10 1 1 A 20 20 GLY C C 20 175.031 174.781 0.250 1
1 247 . 10 1 1 A 20 20 GLY CA C 20 45.907 45.451 0.456 1
1 248 . 10 1 1 A 20 20 GLY N N 20 105.949 106.082 -0.133 1
1 249 . 10 1 1 A 21 21 VAL H H 21 7.678 7.888 -0.210 1
1 250 . 10 1 1 A 21 21 VAL HA H 21 4.608 4.238 0.370 1
1 258 . 10 1 1 A 21 21 VAL C C 21 175.837 175.675 0.162 1
1 259 . 10 1 1 A 21 21 VAL CA C 21 60.158 62.383 -2.225 1
1 260 . 10 1 1 A 21 21 VAL CB C 21 32.525 32.112 0.413 1
1 263 . 10 1 1 A 21 21 VAL N N 21 109.739 117.009 -7.270 1
1 264 . 10 1 1 A 22 22 ILE H H 22 6.842 7.456 -0.614 1
1 265 . 10 1 1 A 22 22 ILE HA H 22 4.347 4.146 0.201 1
1 275 . 10 1 1 A 22 22 ILE C C 22 174.145 175.520 -1.375 1
1 276 . 10 1 1 A 22 22 ILE CA C 22 61.285 61.448 -0.163 1
1 277 . 10 1 1 A 22 22 ILE CB C 22 40.142 38.849 1.293 1
1 281 . 10 1 1 A 22 22 ILE N N 22 124.020 123.949 0.071 1
1 282 . 10 1 1 A 23 23 THR H H 23 9.104 8.305 0.799 1
1 283 . 10 1 1 A 23 23 THR HA H 23 4.597 4.660 -0.063 1
1 288 . 10 1 1 A 23 23 THR C C 23 175.820 175.993 -0.173 1
1 289 . 10 1 1 A 23 23 THR CA C 23 61.139 60.681 0.458 1
1 290 . 10 1 1 A 23 23 THR CB C 23 71.396 71.216 0.180 1
1 292 . 10 1 1 A 23 23 THR N N 23 120.184 118.551 1.633 1
1 293 . 10 1 1 A 24 24 GLU H H 24 9.011 9.075 -0.064 1
1 294 . 10 1 1 A 24 24 GLU HA H 24 3.965 4.001 -0.036 1
1 299 . 10 1 1 A 24 24 GLU C C 24 180.012 178.919 1.093 1
1 300 . 10 1 1 A 24 24 GLU CA C 24 60.049 59.794 0.255 1
1 301 . 10 1 1 A 24 24 GLU CB C 24 29.095 29.212 -0.117 1
1 303 . 10 1 1 A 24 24 GLU N N 24 120.289 121.574 -1.285 1
1 304 . 10 1 1 A 25 25 GLU H H 25 8.917 8.175 0.742 1
1 305 . 10 1 1 A 25 25 GLU HA H 25 4.116 4.058 0.058 1
1 310 . 10 1 1 A 25 25 GLU C C 25 180.164 178.950 1.214 1
1 311 . 10 1 1 A 25 25 GLU CA C 25 60.042 59.342 0.700 1
1 312 . 10 1 1 A 25 25 GLU CB C 25 29.131 29.170 -0.039 1
1 314 . 10 1 1 A 25 25 GLU N N 25 120.676 120.091 0.585 1
1 315 . 10 1 1 A 26 26 GLU H H 26 7.837 7.891 -0.054 1
1 316 . 10 1 1 A 26 26 GLU HA H 26 4.074 4.027 0.047 1
1 321 . 10 1 1 A 26 26 GLU C C 26 179.093 179.334 -0.241 1
1 322 . 10 1 1 A 26 26 GLU CA C 26 58.684 59.156 -0.472 1
1 323 . 10 1 1 A 26 26 GLU CB C 26 30.606 29.248 1.358 1
1 325 . 10 1 1 A 26 26 GLU N N 26 121.997 118.612 3.385 1
1 326 . 10 1 1 A 27 27 LYS H H 27 8.659 8.259 0.400 1
1 327 . 10 1 1 A 27 27 LYS HA H 27 3.964 4.014 -0.050 1
1 336 . 10 1 1 A 27 27 LYS C C 27 179.776 178.862 0.914 1
1 337 . 10 1 1 A 27 27 LYS CA C 27 60.129 59.260 0.869 1
1 338 . 10 1 1 A 27 27 LYS CB C 27 32.537 32.178 0.359 1
1 342 . 10 1 1 A 27 27 LYS N N 27 121.367 119.434 1.933 1
1 343 . 10 1 1 A 28 28 ALA H H 28 7.648 8.176 -0.528 1
1 344 . 10 1 1 A 28 28 ALA HA H 28 4.216 4.070 0.146 1
1 348 . 10 1 1 A 28 28 ALA C C 28 180.525 178.801 1.724 1
1 349 . 10 1 1 A 28 28 ALA CA C 28 55.014 55.374 -0.360 1
1 350 . 10 1 1 A 28 28 ALA CB C 28 17.610 18.472 -0.862 1
1 351 . 10 1 1 A 28 28 ALA N N 28 122.685 122.127 0.558 1
1 352 . 10 1 1 A 29 29 GLU H H 29 7.915 8.256 -0.341 1
1 353 . 10 1 1 A 29 29 GLU HA H 29 3.971 4.076 -0.105 1
1 358 . 10 1 1 A 29 29 GLU C C 29 178.193 178.744 -0.551 1
1 359 . 10 1 1 A 29 29 GLU CA C 29 59.269 59.440 -0.171 1
1 360 . 10 1 1 A 29 29 GLU CB C 29 29.467 29.151 0.316 1
1 362 . 10 1 1 A 29 29 GLU N N 29 122.691 118.499 4.192 1
1 363 . 10 1 1 A 30 30 GLN H H 30 8.891 8.130 0.761 1
1 364 . 10 1 1 A 30 30 GLN HA H 30 3.805 3.974 -0.169 1
1 371 . 10 1 1 A 30 30 GLN C C 30 177.828 178.095 -0.267 1
1 372 . 10 1 1 A 30 30 GLN CA C 30 59.703 59.210 0.493 1
1 373 . 10 1 1 A 30 30 GLN CB C 30 29.404 28.186 1.218 1
1 376 . 10 1 1 A 30 30 GLN N N 30 119.325 118.621 0.704 1
1 378 . 10 1 1 A 31 31 GLN H H 31 7.874 8.147 -0.273 1
1 379 . 10 1 1 A 31 31 GLN HA H 31 4.085 3.985 0.100 1
1 386 . 10 1 1 A 31 31 GLN C C 31 178.371 177.921 0.450 1
1 387 . 10 1 1 A 31 31 GLN CA C 31 58.842 59.002 -0.160 1
1 388 . 10 1 1 A 31 31 GLN CB C 31 28.283 28.365 -0.082 1
1 391 . 10 1 1 A 31 31 GLN N N 31 118.010 118.849 -0.839 1
1 393 . 10 1 1 A 32 32 LYS H H 32 7.739 7.871 -0.132 1
1 394 . 10 1 1 A 32 32 LYS HA H 32 4.096 4.038 0.058 1
1 403 . 10 1 1 A 32 32 LYS C C 32 179.952 178.984 0.968 1
1 404 . 10 1 1 A 32 32 LYS CA C 32 59.708 59.592 0.116 1
1 405 . 10 1 1 A 32 32 LYS CB C 32 32.403 32.467 -0.064 1
1 409 . 10 1 1 A 32 32 LYS N N 32 120.842 120.120 0.722 1
1 410 . 10 1 1 A 33 33 LEU H H 33 8.617 8.482 0.135 1
1 411 . 10 1 1 A 33 33 LEU HA H 33 4.153 3.957 0.196 1
1 421 . 10 1 1 A 33 33 LEU C C 33 179.446 179.315 0.131 1
1 422 . 10 1 1 A 33 33 LEU CA C 33 57.774 57.972 -0.198 1
1 423 . 10 1 1 A 33 33 LEU CB C 33 42.585 41.840 0.745 1
1 427 . 10 1 1 A 33 33 LEU N N 33 120.088 119.764 0.324 1
1 428 . 10 1 1 A 34 34 ARG H H 34 8.413 8.327 0.086 1
1 429 . 10 1 1 A 34 34 ARG HA H 34 4.009 4.162 -0.153 1
1 436 . 10 1 1 A 34 34 ARG C C 34 178.614 179.323 -0.709 1
1 437 . 10 1 1 A 34 34 ARG CA C 34 59.839 59.079 0.760 1
1 438 . 10 1 1 A 34 34 ARG CB C 34 29.772 29.630 0.142 1
1 441 . 10 1 1 A 34 34 ARG N N 34 119.206 119.384 -0.178 1
1 442 . 10 1 1 A 35 35 GLN H H 35 7.850 8.146 -0.296 1
1 443 . 10 1 1 A 35 35 GLN HA H 35 4.085 4.116 -0.031 1
1 450 . 10 1 1 A 35 35 GLN C C 35 178.621 179.047 -0.426 1
1 451 . 10 1 1 A 35 35 GLN CA C 35 58.771 58.971 -0.200 1
1 452 . 10 1 1 A 35 35 GLN CB C 35 28.331 28.509 -0.178 1
1 455 . 10 1 1 A 35 35 GLN N N 35 117.434 119.339 -1.905 1
1 457 . 10 1 1 A 36 36 GLU H H 36 7.939 7.755 0.184 1
1 458 . 10 1 1 A 36 36 GLU HA H 36 4.015 4.079 -0.064 1
1 463 . 10 1 1 A 36 36 GLU C C 36 178.975 178.760 0.215 1
1 464 . 10 1 1 A 36 36 GLU CA C 36 59.271 59.221 0.050 1
1 465 . 10 1 1 A 36 36 GLU CB C 36 29.750 29.718 0.032 1
1 467 . 10 1 1 A 36 36 GLU N N 36 119.554 120.733 -1.179 1
1 468 . 10 1 1 A 37 37 TYR H H 37 8.578 8.478 0.100 1
1 469 . 10 1 1 A 37 37 TYR HA H 37 4.164 4.033 0.131 1
1 476 . 10 1 1 A 37 37 TYR C C 37 177.550 177.085 0.465 1
1 477 . 10 1 1 A 37 37 TYR CA C 37 60.590 61.316 -0.726 1
1 478 . 10 1 1 A 37 37 TYR CB C 37 38.709 38.706 0.003 1
1 483 . 10 1 1 A 37 37 TYR N N 37 120.782 122.347 -1.565 1
1 484 . 10 1 1 A 38 38 LEU H H 38 8.229 8.081 0.148 1
1 485 . 10 1 1 A 38 38 LEU HA H 38 4.072 4.143 -0.071 1
1 495 . 10 1 1 A 38 38 LEU C C 38 178.983 177.015 1.968 1
1 496 . 10 1 1 A 38 38 LEU CA C 38 57.053 57.954 -0.901 1
1 497 . 10 1 1 A 38 38 LEU CB C 38 42.020 41.781 0.239 1
1 501 . 10 1 1 A 38 38 LEU N N 38 119.275 119.946 -0.671 1
1 502 . 10 1 1 A 39 39 LYS H H 39 7.790 7.902 -0.112 1
1 503 . 10 1 1 A 39 39 LYS HA H 39 4.152 3.992 0.160 1
1 512 . 10 1 1 A 39 39 LYS C C 39 178.123 176.518 1.605 1
1 513 . 10 1 1 A 39 39 LYS CA C 39 58.197 57.449 0.748 1
1 514 . 10 1 1 A 39 39 LYS CB C 39 32.466 30.402 2.064 1
1 518 . 10 1 1 A 39 39 LYS N N 39 118.917 116.464 2.453 1
1 519 . 10 1 1 A 40 40 GLY H H 40 7.885 8.383 -0.498 1
1 520 . 10 1 1 A 40 40 GLY HA2 H 40 3.970 4.005 -0.035 1
1 521 . 10 1 1 A 40 40 GLY HA3 H 40 3.768 4.010 -0.242 1
1 522 . 10 1 1 A 40 40 GLY C C 40 174.349 175.275 -0.926 1
1 523 . 10 1 1 A 40 40 GLY CA C 40 45.758 45.574 0.184 1
1 524 . 10 1 1 A 40 40 GLY N N 40 106.796 105.750 1.046 1
1 525 . 10 1 1 A 41 41 PHE H H 41 7.859 8.077 -0.218 1
1 526 . 10 1 1 A 41 41 PHE HA H 41 4.455 4.208 0.247 1
1 534 . 10 1 1 A 41 41 PHE C C 41 176.028 175.036 0.992 1
1 535 . 10 1 1 A 41 41 PHE CA C 41 58.735 60.843 -2.108 1
1 536 . 10 1 1 A 41 41 PHE CB C 41 39.408 39.791 -0.383 1
1 542 . 10 1 1 A 41 41 PHE N N 41 120.317 121.559 -1.242 1
1 543 . 10 1 1 A 42 42 ARG H H 42 8.044 7.726 0.318 1
1 544 . 10 1 1 A 42 42 ARG HA H 42 4.269 4.649 -0.380 1
1 551 . 10 1 1 A 42 42 ARG C C 42 176.487 174.528 1.959 1
1 552 . 10 1 1 A 42 42 ARG CA C 42 56.505 55.168 1.337 1
1 553 . 10 1 1 A 42 42 ARG CB C 42 30.801 32.925 -2.124 1
1 556 . 10 1 1 A 42 42 ARG N N 42 121.581 114.723 6.858 1
1 557 . 10 1 1 A 43 43 SER H H 43 8.218 8.689 -0.471 1
1 558 . 10 1 1 A 43 43 SER HA H 43 4.389 5.101 -0.712 1
1 561 . 10 1 1 A 43 43 SER C C 43 174.872 174.037 0.835 1
1 562 . 10 1 1 A 43 43 SER CA C 43 58.809 56.100 2.709 1
1 563 . 10 1 1 A 43 43 SER CB C 43 63.615 63.249 0.366 1
1 564 . 10 1 1 A 43 43 SER N N 43 116.338 114.913 1.425 1
1 565 . 10 1 1 A 44 44 SER H H 44 8.247 8.254 -0.007 1
1 566 . 10 1 1 A 44 44 SER HA H 44 4.441 4.547 -0.106 1
1 569 . 10 1 1 A 44 44 SER C C 44 174.653 174.488 0.165 1
1 570 . 10 1 1 A 44 44 SER CA C 44 58.697 58.037 0.660 1
1 571 . 10 1 1 A 44 44 SER CB C 44 63.743 64.194 -0.451 1
1 572 . 10 1 1 A 44 44 SER N N 44 117.375 116.246 1.129 1
1 573 . 10 1 1 A 45 45 MET H H 45 8.194 8.801 -0.607 1
1 574 . 10 1 1 A 45 45 MET HA H 45 4.417 4.086 0.331 1
1 579 . 10 1 1 A 45 45 MET C C 45 176.033 175.030 1.003 1
1 580 . 10 1 1 A 45 45 MET CA C 45 55.795 56.927 -1.132 1
1 581 . 10 1 1 A 45 45 MET CB C 45 32.840 31.388 1.452 1
1 583 . 10 1 1 A 45 45 MET N N 45 122.021 117.406 4.615 1
1 584 . 10 1 1 A 46 46 LYS H H 46 8.220 7.853 0.367 1
1 585 . 10 1 1 A 46 46 LYS HA H 46 4.276 3.963 0.313 1
1 594 . 10 1 1 A 46 46 LYS C C 46 176.299 176.998 -0.699 1
1 595 . 10 1 1 A 46 46 LYS CA C 46 56.399 58.392 -1.993 1
1 596 . 10 1 1 A 46 46 LYS CB C 46 32.834 32.117 0.717 1
1 600 . 10 1 1 A 46 46 LYS N N 46 122.277 120.730 1.547 1
1 601 . 10 1 1 A 47 47 LEU H H 47 8.210 8.870 -0.660 1
1 602 . 10 1 1 A 47 47 LEU HA H 47 4.299 4.202 0.097 1
1 612 . 10 1 1 A 47 47 LEU C C 47 177.189 176.074 1.115 1
1 613 . 10 1 1 A 47 47 LEU CA C 47 55.134 56.277 -1.143 1
1 614 . 10 1 1 A 47 47 LEU CB C 47 42.301 41.851 0.450 1
1 618 . 10 1 1 A 47 47 LEU N N 47 123.549 127.144 -3.595 1
1 9 . 11 1 1 A 2 2 ILE HA H 2 4.350 5.158 -0.808 1
1 19 . 11 1 1 A 2 2 ILE C C 2 174.508 174.180 0.328 1
1 20 . 11 1 1 A 2 2 ILE CA C 2 61.095 59.097 1.998 1
1 21 . 11 1 1 A 2 2 ILE CB C 2 39.193 41.291 -2.098 1
1 25 . 11 1 1 A 3 3 SER H H 3 8.112 8.658 -0.546 1
1 26 . 11 1 1 A 3 3 SER HA H 3 4.414 4.957 -0.543 1
1 29 . 11 1 1 A 3 3 SER C C 3 174.652 174.253 0.399 1
1 30 . 11 1 1 A 3 3 SER CA C 3 57.714 55.687 2.027 1
1 31 . 11 1 1 A 3 3 SER CB C 3 64.725 65.866 -1.141 1
1 32 . 11 1 1 A 3 3 SER N N 3 119.280 123.150 -3.870 1
1 33 . 11 1 1 A 4 4 ASN H H 4 8.832 9.076 -0.244 1
1 34 . 11 1 1 A 4 4 ASN HA H 4 4.511 4.465 0.046 1
1 39 . 11 1 1 A 4 4 ASN C C 4 177.606 177.641 -0.035 1
1 40 . 11 1 1 A 4 4 ASN CA C 4 55.617 56.657 -1.040 1
1 41 . 11 1 1 A 4 4 ASN CB C 4 37.972 37.954 0.018 1
1 43 . 11 1 1 A 4 4 ASN N N 4 120.760 123.175 -2.415 1
1 45 . 11 1 1 A 5 5 ALA H H 5 8.504 8.197 0.307 1
1 46 . 11 1 1 A 5 5 ALA HA H 5 4.191 4.049 0.142 1
1 50 . 11 1 1 A 5 5 ALA C C 5 180.504 179.833 0.671 1
1 51 . 11 1 1 A 5 5 ALA CA C 5 54.896 55.528 -0.632 1
1 52 . 11 1 1 A 5 5 ALA CB C 5 18.468 18.371 0.097 1
1 53 . 11 1 1 A 5 5 ALA N N 5 123.401 122.968 0.433 1
1 54 . 11 1 1 A 6 6 LYS H H 6 7.844 8.083 -0.239 1
1 55 . 11 1 1 A 6 6 LYS HA H 6 4.119 3.960 0.159 1
1 64 . 11 1 1 A 6 6 LYS C C 6 178.320 179.429 -1.109 1
1 65 . 11 1 1 A 6 6 LYS CA C 6 59.550 59.471 0.079 1
1 66 . 11 1 1 A 6 6 LYS CB C 6 32.639 32.730 -0.091 1
1 70 . 11 1 1 A 6 6 LYS N N 6 119.908 117.023 2.885 1
1 71 . 11 1 1 A 7 7 ILE H H 7 7.887 8.084 -0.197 1
1 72 . 11 1 1 A 7 7 ILE HA H 7 3.615 3.562 0.053 1
1 82 . 11 1 1 A 7 7 ILE C C 7 177.784 177.480 0.304 1
1 83 . 11 1 1 A 7 7 ILE CA C 7 64.351 66.054 -1.703 1
1 84 . 11 1 1 A 7 7 ILE CB C 7 37.623 38.088 -0.465 1
1 88 . 11 1 1 A 7 7 ILE N N 7 120.487 120.911 -0.424 1
1 89 . 11 1 1 A 8 8 ALA H H 8 8.062 8.475 -0.413 1
1 90 . 11 1 1 A 8 8 ALA HA H 8 4.160 3.853 0.307 1
1 94 . 11 1 1 A 8 8 ALA C C 8 180.625 179.471 1.154 1
1 95 . 11 1 1 A 8 8 ALA CA C 8 55.102 55.298 -0.196 1
1 96 . 11 1 1 A 8 8 ALA CB C 8 17.517 18.224 -0.707 1
1 97 . 11 1 1 A 8 8 ALA N N 8 121.576 121.450 0.126 1
1 98 . 11 1 1 A 9 9 ARG H H 9 7.769 7.750 0.019 1
1 99 . 11 1 1 A 9 9 ARG HA H 9 4.226 4.126 0.100 1
1 107 . 11 1 1 A 9 9 ARG C C 9 178.076 178.906 -0.830 1
1 108 . 11 1 1 A 9 9 ARG CA C 9 57.517 58.766 -1.249 1
1 109 . 11 1 1 A 9 9 ARG CB C 9 29.638 29.917 -0.279 1
1 112 . 11 1 1 A 9 9 ARG N N 9 120.694 118.508 2.186 1
1 114 . 11 1 1 A 10 10 ILE H H 10 8.462 8.305 0.157 1
1 115 . 11 1 1 A 10 10 ILE HA H 10 3.576 3.477 0.099 1
1 125 . 11 1 1 A 10 10 ILE C C 10 179.221 177.714 1.507 1
1 126 . 11 1 1 A 10 10 ILE CA C 10 66.414 65.711 0.703 1
1 127 . 11 1 1 A 10 10 ILE CB C 10 37.872 37.900 -0.028 1
1 131 . 11 1 1 A 10 10 ILE N N 10 121.475 119.713 1.762 1
1 132 . 11 1 1 A 11 11 ASN H H 11 8.161 8.449 -0.288 1
1 133 . 11 1 1 A 11 11 ASN HA H 11 4.485 4.439 0.046 1
1 138 . 11 1 1 A 11 11 ASN C C 11 178.124 177.998 0.126 1
1 139 . 11 1 1 A 11 11 ASN CA C 11 55.961 56.675 -0.714 1
1 140 . 11 1 1 A 11 11 ASN CB C 11 37.642 37.758 -0.116 1
1 142 . 11 1 1 A 11 11 ASN N N 11 119.357 118.095 1.262 1
1 144 . 11 1 1 A 12 12 GLU H H 12 8.528 8.281 0.247 1
1 145 . 11 1 1 A 12 12 GLU HA H 12 4.111 4.012 0.099 1
1 150 . 11 1 1 A 12 12 GLU C C 12 179.650 179.198 0.452 1
1 151 . 11 1 1 A 12 12 GLU CA C 12 59.252 59.095 0.157 1
1 152 . 11 1 1 A 12 12 GLU CB C 12 30.026 29.446 0.580 1
1 154 . 11 1 1 A 12 12 GLU N N 12 124.689 119.661 5.028 1
1 155 . 11 1 1 A 13 13 LEU H H 13 8.669 8.419 0.250 1
1 156 . 11 1 1 A 13 13 LEU HA H 13 3.948 4.020 -0.072 1
1 166 . 11 1 1 A 13 13 LEU C C 13 178.491 179.288 -0.797 1
1 167 . 11 1 1 A 13 13 LEU CA C 13 57.835 57.722 0.113 1
1 168 . 11 1 1 A 13 13 LEU CB C 13 41.160 40.630 0.530 1
1 172 . 11 1 1 A 13 13 LEU N N 13 119.467 119.860 -0.393 1
1 173 . 11 1 1 A 14 14 ALA H H 14 8.326 8.490 -0.164 1
1 174 . 11 1 1 A 14 14 ALA HA H 14 4.076 3.995 0.081 1
1 178 . 11 1 1 A 14 14 ALA C C 14 180.903 179.184 1.719 1
1 179 . 11 1 1 A 14 14 ALA CA C 14 55.100 55.369 -0.269 1
1 180 . 11 1 1 A 14 14 ALA CB C 14 17.838 17.846 -0.008 1
1 181 . 11 1 1 A 14 14 ALA N N 14 122.290 122.243 0.047 1
1 182 . 11 1 1 A 15 15 ALA H H 15 7.794 8.132 -0.338 1
1 183 . 11 1 1 A 15 15 ALA HA H 15 4.176 3.981 0.195 1
1 187 . 11 1 1 A 15 15 ALA C C 15 181.255 179.923 1.332 1
1 188 . 11 1 1 A 15 15 ALA CA C 15 55.196 55.194 0.002 1
1 189 . 11 1 1 A 15 15 ALA CB C 15 17.568 18.269 -0.701 1
1 190 . 11 1 1 A 15 15 ALA N N 15 121.829 119.627 2.202 1
1 191 . 11 1 1 A 16 16 LYS H H 16 7.977 8.130 -0.153 1
1 192 . 11 1 1 A 16 16 LYS HA H 16 4.026 4.022 0.004 1
1 201 . 11 1 1 A 16 16 LYS C C 16 179.086 179.101 -0.015 1
1 202 . 11 1 1 A 16 16 LYS CA C 16 59.878 59.443 0.435 1
1 203 . 11 1 1 A 16 16 LYS CB C 16 32.727 32.109 0.618 1
1 207 . 11 1 1 A 16 16 LYS N N 16 120.084 116.593 3.491 1
1 208 . 11 1 1 A 17 17 ALA H H 17 8.527 8.181 0.346 1
1 209 . 11 1 1 A 17 17 ALA HA H 17 4.026 4.036 -0.010 1
1 213 . 11 1 1 A 17 17 ALA C C 17 181.147 179.388 1.759 1
1 214 . 11 1 1 A 17 17 ALA CA C 17 54.993 55.178 -0.185 1
1 215 . 11 1 1 A 17 17 ALA CB C 17 17.858 18.124 -0.266 1
1 216 . 11 1 1 A 17 17 ALA N N 17 123.164 122.442 0.722 1
1 217 . 11 1 1 A 18 18 LYS H H 18 8.125 8.293 -0.168 1
1 218 . 11 1 1 A 18 18 LYS HA H 18 4.053 4.037 0.016 1
1 227 . 11 1 1 A 18 18 LYS C C 18 177.994 178.976 -0.982 1
1 228 . 11 1 1 A 18 18 LYS CA C 18 58.961 59.079 -0.118 1
1 229 . 11 1 1 A 18 18 LYS CB C 18 32.400 31.946 0.454 1
1 233 . 11 1 1 A 18 18 LYS N N 18 120.927 116.644 4.283 1
1 234 . 11 1 1 A 19 19 ALA H H 19 7.659 7.532 0.127 1
1 235 . 11 1 1 A 19 19 ALA HA H 19 4.355 4.303 0.052 1
1 239 . 11 1 1 A 19 19 ALA C C 19 177.769 177.895 -0.126 1
1 240 . 11 1 1 A 19 19 ALA CA C 19 52.453 52.217 0.236 1
1 241 . 11 1 1 A 19 19 ALA CB C 19 19.483 19.442 0.041 1
1 242 . 11 1 1 A 19 19 ALA N N 19 118.300 118.467 -0.167 1
1 243 . 11 1 1 A 20 20 GLY H H 20 7.758 7.684 0.074 1
1 244 . 11 1 1 A 20 20 GLY HA2 H 20 4.180 3.985 0.195 1
1 245 . 11 1 1 A 20 20 GLY HA3 H 20 3.947 3.986 -0.039 1
1 246 . 11 1 1 A 20 20 GLY C C 20 175.031 175.162 -0.131 1
1 247 . 11 1 1 A 20 20 GLY CA C 20 45.907 46.277 -0.370 1
1 248 . 11 1 1 A 20 20 GLY N N 20 105.949 106.273 -0.324 1
1 249 . 11 1 1 A 21 21 VAL H H 21 7.678 8.015 -0.337 1
1 250 . 11 1 1 A 21 21 VAL HA H 21 4.608 4.465 0.143 1
1 258 . 11 1 1 A 21 21 VAL C C 21 175.837 175.356 0.481 1
1 259 . 11 1 1 A 21 21 VAL CA C 21 60.158 61.287 -1.129 1
1 260 . 11 1 1 A 21 21 VAL CB C 21 32.525 32.388 0.137 1
1 263 . 11 1 1 A 21 21 VAL N N 21 109.739 116.206 -6.467 1
1 264 . 11 1 1 A 22 22 ILE H H 22 6.842 7.462 -0.620 1
1 265 . 11 1 1 A 22 22 ILE HA H 22 4.347 4.216 0.131 1
1 275 . 11 1 1 A 22 22 ILE C C 22 174.145 175.422 -1.277 1
1 276 . 11 1 1 A 22 22 ILE CA C 22 61.285 61.318 -0.033 1
1 277 . 11 1 1 A 22 22 ILE CB C 22 40.142 39.338 0.804 1
1 281 . 11 1 1 A 22 22 ILE N N 22 124.020 124.193 -0.173 1
1 282 . 11 1 1 A 23 23 THR H H 23 9.104 8.478 0.626 1
1 283 . 11 1 1 A 23 23 THR HA H 23 4.597 4.711 -0.114 1
1 288 . 11 1 1 A 23 23 THR C C 23 175.820 176.097 -0.277 1
1 289 . 11 1 1 A 23 23 THR CA C 23 61.139 60.614 0.525 1
1 290 . 11 1 1 A 23 23 THR CB C 23 71.396 71.391 0.005 1
1 292 . 11 1 1 A 23 23 THR N N 23 120.184 117.761 2.423 1
1 293 . 11 1 1 A 24 24 GLU H H 24 9.011 9.001 0.010 1
1 294 . 11 1 1 A 24 24 GLU HA H 24 3.965 4.026 -0.061 1
1 299 . 11 1 1 A 24 24 GLU C C 24 180.012 178.897 1.115 1
1 300 . 11 1 1 A 24 24 GLU CA C 24 60.049 59.903 0.146 1
1 301 . 11 1 1 A 24 24 GLU CB C 24 29.095 29.143 -0.048 1
1 303 . 11 1 1 A 24 24 GLU N N 24 120.289 121.180 -0.891 1
1 304 . 11 1 1 A 25 25 GLU H H 25 8.917 8.257 0.660 1
1 305 . 11 1 1 A 25 25 GLU HA H 25 4.116 4.075 0.041 1
1 310 . 11 1 1 A 25 25 GLU C C 25 180.164 178.910 1.254 1
1 311 . 11 1 1 A 25 25 GLU CA C 25 60.042 59.312 0.730 1
1 312 . 11 1 1 A 25 25 GLU CB C 25 29.131 29.221 -0.090 1
1 314 . 11 1 1 A 25 25 GLU N N 25 120.676 120.278 0.398 1
1 315 . 11 1 1 A 26 26 GLU H H 26 7.837 7.790 0.047 1
1 316 . 11 1 1 A 26 26 GLU HA H 26 4.074 4.080 -0.006 1
1 321 . 11 1 1 A 26 26 GLU C C 26 179.093 179.361 -0.268 1
1 322 . 11 1 1 A 26 26 GLU CA C 26 58.684 59.105 -0.421 1
1 323 . 11 1 1 A 26 26 GLU CB C 26 30.606 29.481 1.125 1
1 325 . 11 1 1 A 26 26 GLU N N 26 121.997 119.278 2.719 1
1 326 . 11 1 1 A 27 27 LYS H H 27 8.659 8.132 0.527 1
1 327 . 11 1 1 A 27 27 LYS HA H 27 3.964 4.026 -0.062 1
1 336 . 11 1 1 A 27 27 LYS C C 27 179.776 179.103 0.673 1
1 337 . 11 1 1 A 27 27 LYS CA C 27 60.129 59.384 0.745 1
1 338 . 11 1 1 A 27 27 LYS CB C 27 32.537 32.222 0.315 1
1 342 . 11 1 1 A 27 27 LYS N N 27 121.367 119.476 1.891 1
1 343 . 11 1 1 A 28 28 ALA H H 28 7.648 8.438 -0.790 1
1 344 . 11 1 1 A 28 28 ALA HA H 28 4.216 4.060 0.156 1
1 348 . 11 1 1 A 28 28 ALA C C 28 180.525 179.071 1.454 1
1 349 . 11 1 1 A 28 28 ALA CA C 28 55.014 54.986 0.028 1
1 350 . 11 1 1 A 28 28 ALA CB C 28 17.610 18.564 -0.954 1
1 351 . 11 1 1 A 28 28 ALA N N 28 122.685 121.913 0.772 1
1 352 . 11 1 1 A 29 29 GLU H H 29 7.915 8.159 -0.244 1
1 353 . 11 1 1 A 29 29 GLU HA H 29 3.971 4.031 -0.060 1
1 358 . 11 1 1 A 29 29 GLU C C 29 178.193 178.518 -0.325 1
1 359 . 11 1 1 A 29 29 GLU CA C 29 59.269 59.574 -0.305 1
1 360 . 11 1 1 A 29 29 GLU CB C 29 29.467 29.141 0.326 1
1 362 . 11 1 1 A 29 29 GLU N N 29 122.691 118.261 4.430 1
1 363 . 11 1 1 A 30 30 GLN H H 30 8.891 8.335 0.556 1
1 364 . 11 1 1 A 30 30 GLN HA H 30 3.805 3.976 -0.171 1
1 371 . 11 1 1 A 30 30 GLN C C 30 177.828 178.169 -0.341 1
1 372 . 11 1 1 A 30 30 GLN CA C 30 59.703 59.236 0.467 1
1 373 . 11 1 1 A 30 30 GLN CB C 30 29.404 27.973 1.431 1
1 376 . 11 1 1 A 30 30 GLN N N 30 119.325 118.539 0.786 1
1 378 . 11 1 1 A 31 31 GLN H H 31 7.874 8.107 -0.233 1
1 379 . 11 1 1 A 31 31 GLN HA H 31 4.085 4.010 0.075 1
1 386 . 11 1 1 A 31 31 GLN C C 31 178.371 178.321 0.050 1
1 387 . 11 1 1 A 31 31 GLN CA C 31 58.842 59.025 -0.183 1
1 388 . 11 1 1 A 31 31 GLN CB C 31 28.283 28.654 -0.371 1
1 391 . 11 1 1 A 31 31 GLN N N 31 118.010 118.995 -0.985 1
1 393 . 11 1 1 A 32 32 LYS H H 32 7.739 7.747 -0.008 1
1 394 . 11 1 1 A 32 32 LYS HA H 32 4.096 4.120 -0.024 1
1 403 . 11 1 1 A 32 32 LYS C C 32 179.952 179.289 0.663 1
1 404 . 11 1 1 A 32 32 LYS CA C 32 59.708 59.124 0.584 1
1 405 . 11 1 1 A 32 32 LYS CB C 32 32.403 32.598 -0.195 1
1 409 . 11 1 1 A 32 32 LYS N N 32 120.842 118.162 2.680 1
1 410 . 11 1 1 A 33 33 LEU H H 33 8.617 8.615 0.002 1
1 411 . 11 1 1 A 33 33 LEU HA H 33 4.153 3.961 0.192 1
1 421 . 11 1 1 A 33 33 LEU C C 33 179.446 179.204 0.242 1
1 422 . 11 1 1 A 33 33 LEU CA C 33 57.774 58.020 -0.246 1
1 423 . 11 1 1 A 33 33 LEU CB C 33 42.585 41.272 1.313 1
1 427 . 11 1 1 A 33 33 LEU N N 33 120.088 119.835 0.253 1
1 428 . 11 1 1 A 34 34 ARG H H 34 8.413 8.394 0.019 1
1 429 . 11 1 1 A 34 34 ARG HA H 34 4.009 4.032 -0.023 1
1 436 . 11 1 1 A 34 34 ARG C C 34 178.614 179.061 -0.447 1
1 437 . 11 1 1 A 34 34 ARG CA C 34 59.839 59.489 0.350 1
1 438 . 11 1 1 A 34 34 ARG CB C 34 29.772 29.674 0.098 1
1 441 . 11 1 1 A 34 34 ARG N N 34 119.206 119.515 -0.309 1
1 442 . 11 1 1 A 35 35 GLN H H 35 7.850 7.949 -0.099 1
1 443 . 11 1 1 A 35 35 GLN HA H 35 4.085 4.155 -0.070 1
1 450 . 11 1 1 A 35 35 GLN C C 35 178.621 178.901 -0.280 1
1 451 . 11 1 1 A 35 35 GLN CA C 35 58.771 58.859 -0.088 1
1 452 . 11 1 1 A 35 35 GLN CB C 35 28.331 28.374 -0.043 1
1 455 . 11 1 1 A 35 35 GLN N N 35 117.434 119.373 -1.939 1
1 457 . 11 1 1 A 36 36 GLU H H 36 7.939 8.026 -0.087 1
1 458 . 11 1 1 A 36 36 GLU HA H 36 4.015 4.094 -0.079 1
1 463 . 11 1 1 A 36 36 GLU C C 36 178.975 178.890 0.085 1
1 464 . 11 1 1 A 36 36 GLU CA C 36 59.271 59.102 0.169 1
1 465 . 11 1 1 A 36 36 GLU CB C 36 29.750 29.653 0.097 1
1 467 . 11 1 1 A 36 36 GLU N N 36 119.554 121.233 -1.679 1
1 468 . 11 1 1 A 37 37 TYR H H 37 8.578 8.177 0.401 1
1 469 . 11 1 1 A 37 37 TYR HA H 37 4.164 4.098 0.066 1
1 476 . 11 1 1 A 37 37 TYR C C 37 177.550 177.208 0.342 1
1 477 . 11 1 1 A 37 37 TYR CA C 37 60.590 60.979 -0.389 1
1 478 . 11 1 1 A 37 37 TYR CB C 37 38.709 38.694 0.015 1
1 483 . 11 1 1 A 37 37 TYR N N 37 120.782 121.736 -0.954 1
1 484 . 11 1 1 A 38 38 LEU H H 38 8.229 7.846 0.383 1
1 485 . 11 1 1 A 38 38 LEU HA H 38 4.072 4.195 -0.123 1
1 495 . 11 1 1 A 38 38 LEU C C 38 178.983 177.337 1.646 1
1 496 . 11 1 1 A 38 38 LEU CA C 38 57.053 56.912 0.141 1
1 497 . 11 1 1 A 38 38 LEU CB C 38 42.020 42.328 -0.308 1
1 501 . 11 1 1 A 38 38 LEU N N 38 119.275 119.586 -0.311 1
1 502 . 11 1 1 A 39 39 LYS H H 39 7.790 7.249 0.541 1
1 503 . 11 1 1 A 39 39 LYS HA H 39 4.152 4.150 0.002 1
1 512 . 11 1 1 A 39 39 LYS C C 39 178.123 177.449 0.674 1
1 513 . 11 1 1 A 39 39 LYS CA C 39 58.197 58.464 -0.267 1
1 514 . 11 1 1 A 39 39 LYS CB C 39 32.466 32.212 0.254 1
1 518 . 11 1 1 A 39 39 LYS N N 39 118.917 120.752 -1.835 1
1 519 . 11 1 1 A 40 40 GLY H H 40 7.885 9.007 -1.122 1
1 520 . 11 1 1 A 40 40 GLY HA2 H 40 3.970 3.997 -0.027 1
1 521 . 11 1 1 A 40 40 GLY HA3 H 40 3.768 4.002 -0.234 1
1 522 . 11 1 1 A 40 40 GLY C C 40 174.349 175.230 -0.881 1
1 523 . 11 1 1 A 40 40 GLY CA C 40 45.758 45.896 -0.138 1
1 524 . 11 1 1 A 40 40 GLY N N 40 106.796 113.475 -6.679 1
1 525 . 11 1 1 A 41 41 PHE H H 41 7.859 8.038 -0.179 1
1 526 . 11 1 1 A 41 41 PHE HA H 41 4.455 4.073 0.382 1
1 534 . 11 1 1 A 41 41 PHE C C 41 176.028 175.092 0.936 1
1 535 . 11 1 1 A 41 41 PHE CA C 41 58.735 60.797 -2.062 1
1 536 . 11 1 1 A 41 41 PHE CB C 41 39.408 39.820 -0.412 1
1 542 . 11 1 1 A 41 41 PHE N N 41 120.317 121.657 -1.340 1
1 543 . 11 1 1 A 42 42 ARG H H 42 8.044 7.798 0.246 1
1 544 . 11 1 1 A 42 42 ARG HA H 42 4.269 4.575 -0.306 1
1 551 . 11 1 1 A 42 42 ARG C C 42 176.487 174.845 1.642 1
1 552 . 11 1 1 A 42 42 ARG CA C 42 56.505 54.148 2.357 1
1 553 . 11 1 1 A 42 42 ARG CB C 42 30.801 32.278 -1.477 1
1 556 . 11 1 1 A 42 42 ARG N N 42 121.581 118.006 3.575 1
1 557 . 11 1 1 A 43 43 SER H H 43 8.218 8.725 -0.507 1
1 558 . 11 1 1 A 43 43 SER HA H 43 4.389 4.649 -0.260 1
1 561 . 11 1 1 A 43 43 SER C C 43 174.872 173.195 1.677 1
1 562 . 11 1 1 A 43 43 SER CA C 43 58.809 58.235 0.574 1
1 563 . 11 1 1 A 43 43 SER CB C 43 63.615 63.806 -0.191 1
1 564 . 11 1 1 A 43 43 SER N N 43 116.338 117.983 -1.645 1
1 565 . 11 1 1 A 44 44 SER H H 44 8.247 8.781 -0.534 1
1 566 . 11 1 1 A 44 44 SER HA H 44 4.441 4.932 -0.491 1
1 569 . 11 1 1 A 44 44 SER C C 44 174.653 173.688 0.965 1
1 570 . 11 1 1 A 44 44 SER CA C 44 58.697 58.117 0.580 1
1 571 . 11 1 1 A 44 44 SER CB C 44 63.743 62.856 0.887 1
1 572 . 11 1 1 A 44 44 SER N N 44 117.375 125.196 -7.821 1
1 573 . 11 1 1 A 45 45 MET H H 45 8.194 8.663 -0.469 1
1 574 . 11 1 1 A 45 45 MET HA H 45 4.417 4.841 -0.424 1
1 579 . 11 1 1 A 45 45 MET C C 45 176.033 175.831 0.202 1
1 580 . 11 1 1 A 45 45 MET CA C 45 55.795 54.256 1.539 1
1 581 . 11 1 1 A 45 45 MET CB C 45 32.840 32.926 -0.086 1
1 583 . 11 1 1 A 45 45 MET N N 45 122.021 125.730 -3.709 1
1 584 . 11 1 1 A 46 46 LYS H H 46 8.220 8.763 -0.543 1
1 585 . 11 1 1 A 46 46 LYS HA H 46 4.276 4.371 -0.095 1
1 594 . 11 1 1 A 46 46 LYS C C 46 176.299 176.240 0.059 1
1 595 . 11 1 1 A 46 46 LYS CA C 46 56.399 56.739 -0.340 1
1 596 . 11 1 1 A 46 46 LYS CB C 46 32.834 32.819 0.015 1
1 600 . 11 1 1 A 46 46 LYS N N 46 122.277 122.946 -0.669 1
1 601 . 11 1 1 A 47 47 LEU H H 47 8.210 7.444 0.766 1
1 602 . 11 1 1 A 47 47 LEU HA H 47 4.299 5.092 -0.793 1
1 612 . 11 1 1 A 47 47 LEU C C 47 177.189 175.716 1.473 1
1 613 . 11 1 1 A 47 47 LEU CA C 47 55.134 52.392 2.742 1
1 614 . 11 1 1 A 47 47 LEU CB C 47 42.301 45.591 -3.290 1
1 618 . 11 1 1 A 47 47 LEU N N 47 123.549 115.429 8.120 1
1 9 . 12 1 1 A 2 2 ILE HA H 2 4.350 4.731 -0.381 1
1 19 . 12 1 1 A 2 2 ILE C C 2 174.508 174.464 0.044 1
1 20 . 12 1 1 A 2 2 ILE CA C 2 61.095 60.384 0.711 1
1 21 . 12 1 1 A 2 2 ILE CB C 2 39.193 39.727 -0.534 1
1 25 . 12 1 1 A 3 3 SER H H 3 8.112 8.788 -0.676 1
1 26 . 12 1 1 A 3 3 SER HA H 3 4.414 4.723 -0.309 1
1 29 . 12 1 1 A 3 3 SER C C 3 174.652 175.765 -1.113 1
1 30 . 12 1 1 A 3 3 SER CA C 3 57.714 57.148 0.566 1
1 31 . 12 1 1 A 3 3 SER CB C 3 64.725 65.273 -0.548 1
1 32 . 12 1 1 A 3 3 SER N N 3 119.280 126.616 -7.336 1
1 33 . 12 1 1 A 4 4 ASN H H 4 8.832 9.046 -0.214 1
1 34 . 12 1 1 A 4 4 ASN HA H 4 4.511 4.381 0.130 1
1 39 . 12 1 1 A 4 4 ASN C C 4 177.606 177.024 0.582 1
1 40 . 12 1 1 A 4 4 ASN CA C 4 55.617 56.253 -0.636 1
1 41 . 12 1 1 A 4 4 ASN CB C 4 37.972 38.056 -0.084 1
1 43 . 12 1 1 A 4 4 ASN N N 4 120.760 122.555 -1.795 1
1 45 . 12 1 1 A 5 5 ALA H H 5 8.504 8.308 0.196 1
1 46 . 12 1 1 A 5 5 ALA HA H 5 4.191 4.044 0.147 1
1 50 . 12 1 1 A 5 5 ALA C C 5 180.504 179.400 1.104 1
1 51 . 12 1 1 A 5 5 ALA CA C 5 54.896 55.054 -0.158 1
1 52 . 12 1 1 A 5 5 ALA CB C 5 18.468 18.212 0.256 1
1 53 . 12 1 1 A 5 5 ALA N N 5 123.401 121.448 1.953 1
1 54 . 12 1 1 A 6 6 LYS H H 6 7.844 7.757 0.087 1
1 55 . 12 1 1 A 6 6 LYS HA H 6 4.119 4.140 -0.021 1
1 64 . 12 1 1 A 6 6 LYS C C 6 178.320 179.777 -1.457 1
1 65 . 12 1 1 A 6 6 LYS CA C 6 59.550 58.859 0.691 1
1 66 . 12 1 1 A 6 6 LYS CB C 6 32.639 32.239 0.400 1
1 70 . 12 1 1 A 6 6 LYS N N 6 119.908 117.464 2.444 1
1 71 . 12 1 1 A 7 7 ILE H H 7 7.887 8.098 -0.211 1
1 72 . 12 1 1 A 7 7 ILE HA H 7 3.615 3.621 -0.006 1
1 82 . 12 1 1 A 7 7 ILE C C 7 177.784 177.661 0.123 1
1 83 . 12 1 1 A 7 7 ILE CA C 7 64.351 65.796 -1.445 1
1 84 . 12 1 1 A 7 7 ILE CB C 7 37.623 37.862 -0.239 1
1 88 . 12 1 1 A 7 7 ILE N N 7 120.487 121.211 -0.724 1
1 89 . 12 1 1 A 8 8 ALA H H 8 8.062 8.491 -0.429 1
1 90 . 12 1 1 A 8 8 ALA HA H 8 4.160 3.870 0.290 1
1 94 . 12 1 1 A 8 8 ALA C C 8 180.625 179.367 1.258 1
1 95 . 12 1 1 A 8 8 ALA CA C 8 55.102 55.629 -0.527 1
1 96 . 12 1 1 A 8 8 ALA CB C 8 17.517 18.455 -0.938 1
1 97 . 12 1 1 A 8 8 ALA N N 8 121.576 121.697 -0.121 1
1 98 . 12 1 1 A 9 9 ARG H H 9 7.769 7.500 0.269 1
1 99 . 12 1 1 A 9 9 ARG HA H 9 4.226 4.122 0.104 1
1 107 . 12 1 1 A 9 9 ARG C C 9 178.076 178.865 -0.789 1
1 108 . 12 1 1 A 9 9 ARG CA C 9 57.517 58.746 -1.229 1
1 109 . 12 1 1 A 9 9 ARG CB C 9 29.638 29.949 -0.311 1
1 112 . 12 1 1 A 9 9 ARG N N 9 120.694 118.525 2.169 1
1 114 . 12 1 1 A 10 10 ILE H H 10 8.462 8.153 0.309 1
1 115 . 12 1 1 A 10 10 ILE HA H 10 3.576 3.504 0.072 1
1 125 . 12 1 1 A 10 10 ILE C C 10 179.221 177.746 1.475 1
1 126 . 12 1 1 A 10 10 ILE CA C 10 66.414 65.717 0.697 1
1 127 . 12 1 1 A 10 10 ILE CB C 10 37.872 37.880 -0.008 1
1 131 . 12 1 1 A 10 10 ILE N N 10 121.475 119.926 1.549 1
1 132 . 12 1 1 A 11 11 ASN H H 11 8.161 8.317 -0.156 1
1 133 . 12 1 1 A 11 11 ASN HA H 11 4.485 4.381 0.104 1
1 138 . 12 1 1 A 11 11 ASN C C 11 178.124 177.905 0.219 1
1 139 . 12 1 1 A 11 11 ASN CA C 11 55.961 56.442 -0.481 1
1 140 . 12 1 1 A 11 11 ASN CB C 11 37.642 37.783 -0.141 1
1 142 . 12 1 1 A 11 11 ASN N N 11 119.357 118.525 0.832 1
1 144 . 12 1 1 A 12 12 GLU H H 12 8.528 8.218 0.310 1
1 145 . 12 1 1 A 12 12 GLU HA H 12 4.111 4.019 0.092 1
1 150 . 12 1 1 A 12 12 GLU C C 12 179.650 179.392 0.258 1
1 151 . 12 1 1 A 12 12 GLU CA C 12 59.252 59.066 0.186 1
1 152 . 12 1 1 A 12 12 GLU CB C 12 30.026 29.587 0.439 1
1 154 . 12 1 1 A 12 12 GLU N N 12 124.689 119.491 5.198 1
1 155 . 12 1 1 A 13 13 LEU H H 13 8.669 8.599 0.070 1
1 156 . 12 1 1 A 13 13 LEU HA H 13 3.948 4.057 -0.109 1
1 166 . 12 1 1 A 13 13 LEU C C 13 178.491 179.725 -1.234 1
1 167 . 12 1 1 A 13 13 LEU CA C 13 57.835 57.590 0.245 1
1 168 . 12 1 1 A 13 13 LEU CB C 13 41.160 40.758 0.402 1
1 172 . 12 1 1 A 13 13 LEU N N 13 119.467 120.113 -0.646 1
1 173 . 12 1 1 A 14 14 ALA H H 14 8.326 8.360 -0.034 1
1 174 . 12 1 1 A 14 14 ALA HA H 14 4.076 3.938 0.138 1
1 178 . 12 1 1 A 14 14 ALA C C 14 180.903 179.909 0.994 1
1 179 . 12 1 1 A 14 14 ALA CA C 14 55.100 55.007 0.093 1
1 180 . 12 1 1 A 14 14 ALA CB C 14 17.838 18.137 -0.299 1
1 181 . 12 1 1 A 14 14 ALA N N 14 122.290 122.565 -0.275 1
1 182 . 12 1 1 A 15 15 ALA H H 15 7.794 7.647 0.147 1
1 183 . 12 1 1 A 15 15 ALA HA H 15 4.176 4.038 0.138 1
1 187 . 12 1 1 A 15 15 ALA C C 15 181.255 179.836 1.419 1
1 188 . 12 1 1 A 15 15 ALA CA C 15 55.196 55.206 -0.010 1
1 189 . 12 1 1 A 15 15 ALA CB C 15 17.568 18.169 -0.601 1
1 190 . 12 1 1 A 15 15 ALA N N 15 121.829 120.904 0.925 1
1 191 . 12 1 1 A 16 16 LYS H H 16 7.977 8.259 -0.282 1
1 192 . 12 1 1 A 16 16 LYS HA H 16 4.026 4.007 0.019 1
1 201 . 12 1 1 A 16 16 LYS C C 16 179.086 178.806 0.280 1
1 202 . 12 1 1 A 16 16 LYS CA C 16 59.878 59.350 0.528 1
1 203 . 12 1 1 A 16 16 LYS CB C 16 32.727 32.131 0.596 1
1 207 . 12 1 1 A 16 16 LYS N N 16 120.084 116.723 3.361 1
1 208 . 12 1 1 A 17 17 ALA H H 17 8.527 8.267 0.260 1
1 209 . 12 1 1 A 17 17 ALA HA H 17 4.026 4.061 -0.035 1
1 213 . 12 1 1 A 17 17 ALA C C 17 181.147 179.556 1.591 1
1 214 . 12 1 1 A 17 17 ALA CA C 17 54.993 55.483 -0.490 1
1 215 . 12 1 1 A 17 17 ALA CB C 17 17.858 18.866 -1.008 1
1 216 . 12 1 1 A 17 17 ALA N N 17 123.164 121.923 1.241 1
1 217 . 12 1 1 A 18 18 LYS H H 18 8.125 7.884 0.241 1
1 218 . 12 1 1 A 18 18 LYS HA H 18 4.053 4.037 0.016 1
1 227 . 12 1 1 A 18 18 LYS C C 18 177.994 179.002 -1.008 1
1 228 . 12 1 1 A 18 18 LYS CA C 18 58.961 59.245 -0.284 1
1 229 . 12 1 1 A 18 18 LYS CB C 18 32.400 32.046 0.354 1
1 233 . 12 1 1 A 18 18 LYS N N 18 120.927 117.216 3.711 1
1 234 . 12 1 1 A 19 19 ALA H H 19 7.659 7.598 0.061 1
1 235 . 12 1 1 A 19 19 ALA HA H 19 4.355 4.302 0.053 1
1 239 . 12 1 1 A 19 19 ALA C C 19 177.769 177.891 -0.122 1
1 240 . 12 1 1 A 19 19 ALA CA C 19 52.453 52.219 0.234 1
1 241 . 12 1 1 A 19 19 ALA CB C 19 19.483 19.386 0.097 1
1 242 . 12 1 1 A 19 19 ALA N N 19 118.300 118.502 -0.202 1
1 243 . 12 1 1 A 20 20 GLY H H 20 7.758 7.721 0.037 1
1 244 . 12 1 1 A 20 20 GLY HA2 H 20 4.180 3.886 0.294 1
1 245 . 12 1 1 A 20 20 GLY HA3 H 20 3.947 3.887 0.060 1
1 246 . 12 1 1 A 20 20 GLY C C 20 175.031 174.959 0.072 1
1 247 . 12 1 1 A 20 20 GLY CA C 20 45.907 45.765 0.142 1
1 248 . 12 1 1 A 20 20 GLY N N 20 105.949 106.108 -0.159 1
1 249 . 12 1 1 A 21 21 VAL H H 21 7.678 7.697 -0.019 1
1 250 . 12 1 1 A 21 21 VAL HA H 21 4.608 4.306 0.302 1
1 258 . 12 1 1 A 21 21 VAL C C 21 175.837 175.341 0.496 1
1 259 . 12 1 1 A 21 21 VAL CA C 21 60.158 61.710 -1.552 1
1 260 . 12 1 1 A 21 21 VAL CB C 21 32.525 32.059 0.466 1
1 263 . 12 1 1 A 21 21 VAL N N 21 109.739 117.259 -7.520 1
1 264 . 12 1 1 A 22 22 ILE H H 22 6.842 7.454 -0.612 1
1 265 . 12 1 1 A 22 22 ILE HA H 22 4.347 4.211 0.136 1
1 275 . 12 1 1 A 22 22 ILE C C 22 174.145 175.502 -1.357 1
1 276 . 12 1 1 A 22 22 ILE CA C 22 61.285 61.252 0.033 1
1 277 . 12 1 1 A 22 22 ILE CB C 22 40.142 39.265 0.877 1
1 281 . 12 1 1 A 22 22 ILE N N 22 124.020 124.772 -0.752 1
1 282 . 12 1 1 A 23 23 THR H H 23 9.104 8.479 0.625 1
1 283 . 12 1 1 A 23 23 THR HA H 23 4.597 4.700 -0.103 1
1 288 . 12 1 1 A 23 23 THR C C 23 175.820 176.022 -0.202 1
1 289 . 12 1 1 A 23 23 THR CA C 23 61.139 60.639 0.500 1
1 290 . 12 1 1 A 23 23 THR CB C 23 71.396 71.326 0.070 1
1 292 . 12 1 1 A 23 23 THR N N 23 120.184 118.228 1.956 1
1 293 . 12 1 1 A 24 24 GLU H H 24 9.011 9.046 -0.035 1
1 294 . 12 1 1 A 24 24 GLU HA H 24 3.965 4.019 -0.054 1
1 299 . 12 1 1 A 24 24 GLU C C 24 180.012 178.974 1.038 1
1 300 . 12 1 1 A 24 24 GLU CA C 24 60.049 59.900 0.149 1
1 301 . 12 1 1 A 24 24 GLU CB C 24 29.095 29.241 -0.146 1
1 303 . 12 1 1 A 24 24 GLU N N 24 120.289 121.577 -1.288 1
1 304 . 12 1 1 A 25 25 GLU H H 25 8.917 8.288 0.629 1
1 305 . 12 1 1 A 25 25 GLU HA H 25 4.116 4.035 0.081 1
1 310 . 12 1 1 A 25 25 GLU C C 25 180.164 179.316 0.848 1
1 311 . 12 1 1 A 25 25 GLU CA C 25 60.042 59.623 0.419 1
1 312 . 12 1 1 A 25 25 GLU CB C 25 29.131 29.096 0.035 1
1 314 . 12 1 1 A 25 25 GLU N N 25 120.676 119.608 1.068 1
1 315 . 12 1 1 A 26 26 GLU H H 26 7.837 8.021 -0.184 1
1 316 . 12 1 1 A 26 26 GLU HA H 26 4.074 4.063 0.011 1
1 321 . 12 1 1 A 26 26 GLU C C 26 179.093 179.122 -0.029 1
1 322 . 12 1 1 A 26 26 GLU CA C 26 58.684 59.132 -0.448 1
1 323 . 12 1 1 A 26 26 GLU CB C 26 30.606 29.301 1.305 1
1 325 . 12 1 1 A 26 26 GLU N N 26 121.997 118.782 3.215 1
1 326 . 12 1 1 A 27 27 LYS H H 27 8.659 8.105 0.554 1
1 327 . 12 1 1 A 27 27 LYS HA H 27 3.964 4.021 -0.057 1
1 336 . 12 1 1 A 27 27 LYS C C 27 179.776 179.205 0.571 1
1 337 . 12 1 1 A 27 27 LYS CA C 27 60.129 59.399 0.730 1
1 338 . 12 1 1 A 27 27 LYS CB C 27 32.537 32.348 0.189 1
1 342 . 12 1 1 A 27 27 LYS N N 27 121.367 120.292 1.075 1
1 343 . 12 1 1 A 28 28 ALA H H 28 7.648 8.113 -0.465 1
1 344 . 12 1 1 A 28 28 ALA HA H 28 4.216 4.187 0.029 1
1 348 . 12 1 1 A 28 28 ALA C C 28 180.525 178.842 1.683 1
1 349 . 12 1 1 A 28 28 ALA CA C 28 55.014 55.307 -0.293 1
1 350 . 12 1 1 A 28 28 ALA CB C 28 17.610 18.312 -0.702 1
1 351 . 12 1 1 A 28 28 ALA N N 28 122.685 122.342 0.343 1
1 352 . 12 1 1 A 29 29 GLU H H 29 7.915 8.383 -0.468 1
1 353 . 12 1 1 A 29 29 GLU HA H 29 3.971 4.119 -0.148 1
1 358 . 12 1 1 A 29 29 GLU C C 29 178.193 178.360 -0.167 1
1 359 . 12 1 1 A 29 29 GLU CA C 29 59.269 59.084 0.185 1
1 360 . 12 1 1 A 29 29 GLU CB C 29 29.467 29.147 0.320 1
1 362 . 12 1 1 A 29 29 GLU N N 29 122.691 118.332 4.359 1
1 363 . 12 1 1 A 30 30 GLN H H 30 8.891 8.393 0.498 1
1 364 . 12 1 1 A 30 30 GLN HA H 30 3.805 3.991 -0.186 1
1 371 . 12 1 1 A 30 30 GLN C C 30 177.828 178.722 -0.894 1
1 372 . 12 1 1 A 30 30 GLN CA C 30 59.703 59.158 0.545 1
1 373 . 12 1 1 A 30 30 GLN CB C 30 29.404 28.285 1.119 1
1 376 . 12 1 1 A 30 30 GLN N N 30 119.325 118.806 0.519 1
1 378 . 12 1 1 A 31 31 GLN H H 31 7.874 7.675 0.199 1
1 379 . 12 1 1 A 31 31 GLN HA H 31 4.085 3.986 0.099 1
1 386 . 12 1 1 A 31 31 GLN C C 31 178.371 178.231 0.140 1
1 387 . 12 1 1 A 31 31 GLN CA C 31 58.842 58.970 -0.128 1
1 388 . 12 1 1 A 31 31 GLN CB C 31 28.283 28.434 -0.151 1
1 391 . 12 1 1 A 31 31 GLN N N 31 118.010 118.830 -0.820 1
1 393 . 12 1 1 A 32 32 LYS H H 32 7.739 7.894 -0.155 1
1 394 . 12 1 1 A 32 32 LYS HA H 32 4.096 4.065 0.031 1
1 403 . 12 1 1 A 32 32 LYS C C 32 179.952 179.025 0.927 1
1 404 . 12 1 1 A 32 32 LYS CA C 32 59.708 59.365 0.343 1
1 405 . 12 1 1 A 32 32 LYS CB C 32 32.403 32.085 0.318 1
1 409 . 12 1 1 A 32 32 LYS N N 32 120.842 120.824 0.018 1
1 410 . 12 1 1 A 33 33 LEU H H 33 8.617 8.746 -0.129 1
1 411 . 12 1 1 A 33 33 LEU HA H 33 4.153 3.971 0.182 1
1 421 . 12 1 1 A 33 33 LEU C C 33 179.446 179.240 0.206 1
1 422 . 12 1 1 A 33 33 LEU CA C 33 57.774 57.924 -0.150 1
1 423 . 12 1 1 A 33 33 LEU CB C 33 42.585 41.172 1.413 1
1 427 . 12 1 1 A 33 33 LEU N N 33 120.088 119.495 0.593 1
1 428 . 12 1 1 A 34 34 ARG H H 34 8.413 8.262 0.151 1
1 429 . 12 1 1 A 34 34 ARG HA H 34 4.009 4.099 -0.090 1
1 436 . 12 1 1 A 34 34 ARG C C 34 178.614 179.092 -0.478 1
1 437 . 12 1 1 A 34 34 ARG CA C 34 59.839 59.286 0.553 1
1 438 . 12 1 1 A 34 34 ARG CB C 34 29.772 29.601 0.171 1
1 441 . 12 1 1 A 34 34 ARG N N 34 119.206 119.083 0.123 1
1 442 . 12 1 1 A 35 35 GLN H H 35 7.850 8.140 -0.290 1
1 443 . 12 1 1 A 35 35 GLN HA H 35 4.085 4.131 -0.046 1
1 450 . 12 1 1 A 35 35 GLN C C 35 178.621 179.023 -0.402 1
1 451 . 12 1 1 A 35 35 GLN CA C 35 58.771 58.824 -0.053 1
1 452 . 12 1 1 A 35 35 GLN CB C 35 28.331 28.561 -0.230 1
1 455 . 12 1 1 A 35 35 GLN N N 35 117.434 119.156 -1.722 1
1 457 . 12 1 1 A 36 36 GLU H H 36 7.939 7.863 0.076 1
1 458 . 12 1 1 A 36 36 GLU HA H 36 4.015 4.074 -0.059 1
1 463 . 12 1 1 A 36 36 GLU C C 36 178.975 178.890 0.085 1
1 464 . 12 1 1 A 36 36 GLU CA C 36 59.271 59.138 0.133 1
1 465 . 12 1 1 A 36 36 GLU CB C 36 29.750 29.439 0.311 1
1 467 . 12 1 1 A 36 36 GLU N N 36 119.554 121.161 -1.607 1
1 468 . 12 1 1 A 37 37 TYR H H 37 8.578 7.799 0.779 1
1 469 . 12 1 1 A 37 37 TYR HA H 37 4.164 4.114 0.050 1
1 476 . 12 1 1 A 37 37 TYR C C 37 177.550 177.163 0.387 1
1 477 . 12 1 1 A 37 37 TYR CA C 37 60.590 60.536 0.054 1
1 478 . 12 1 1 A 37 37 TYR CB C 37 38.709 38.801 -0.092 1
1 483 . 12 1 1 A 37 37 TYR N N 37 120.782 120.815 -0.033 1
1 484 . 12 1 1 A 38 38 LEU H H 38 8.229 7.709 0.520 1
1 485 . 12 1 1 A 38 38 LEU HA H 38 4.072 4.255 -0.183 1
1 495 . 12 1 1 A 38 38 LEU C C 38 178.983 177.139 1.844 1
1 496 . 12 1 1 A 38 38 LEU CA C 38 57.053 55.628 1.425 1
1 497 . 12 1 1 A 38 38 LEU CB C 38 42.020 42.099 -0.079 1
1 501 . 12 1 1 A 38 38 LEU N N 38 119.275 119.451 -0.176 1
1 502 . 12 1 1 A 39 39 LYS H H 39 7.790 7.161 0.629 1
1 503 . 12 1 1 A 39 39 LYS HA H 39 4.152 4.121 0.031 1
1 512 . 12 1 1 A 39 39 LYS C C 39 178.123 177.425 0.698 1
1 513 . 12 1 1 A 39 39 LYS CA C 39 58.197 58.376 -0.179 1
1 514 . 12 1 1 A 39 39 LYS CB C 39 32.466 32.036 0.430 1
1 518 . 12 1 1 A 39 39 LYS N N 39 118.917 120.421 -1.504 1
1 519 . 12 1 1 A 40 40 GLY H H 40 7.885 8.595 -0.710 1
1 520 . 12 1 1 A 40 40 GLY HA2 H 40 3.970 3.901 0.069 1
1 521 . 12 1 1 A 40 40 GLY HA3 H 40 3.768 3.904 -0.136 1
1 522 . 12 1 1 A 40 40 GLY C C 40 174.349 173.831 0.518 1
1 523 . 12 1 1 A 40 40 GLY CA C 40 45.758 45.373 0.385 1
1 524 . 12 1 1 A 40 40 GLY N N 40 106.796 112.951 -6.155 1
1 525 . 12 1 1 A 41 41 PHE H H 41 7.859 8.044 -0.185 1
1 526 . 12 1 1 A 41 41 PHE HA H 41 4.455 4.679 -0.224 1
1 534 . 12 1 1 A 41 41 PHE C C 41 176.028 174.059 1.969 1
1 535 . 12 1 1 A 41 41 PHE CA C 41 58.735 56.475 2.260 1
1 536 . 12 1 1 A 41 41 PHE CB C 41 39.408 39.584 -0.176 1
1 542 . 12 1 1 A 41 41 PHE N N 41 120.317 121.607 -1.290 1
1 543 . 12 1 1 A 42 42 ARG H H 42 8.044 8.386 -0.342 1
1 544 . 12 1 1 A 42 42 ARG HA H 42 4.269 4.839 -0.570 1
1 551 . 12 1 1 A 42 42 ARG C C 42 176.487 173.211 3.276 1
1 552 . 12 1 1 A 42 42 ARG CA C 42 56.505 54.305 2.200 1
1 553 . 12 1 1 A 42 42 ARG CB C 42 30.801 33.413 -2.612 1
1 556 . 12 1 1 A 42 42 ARG N N 42 121.581 124.285 -2.704 1
1 557 . 12 1 1 A 43 43 SER H H 43 8.218 8.607 -0.389 1
1 558 . 12 1 1 A 43 43 SER HA H 43 4.389 5.212 -0.823 1
1 561 . 12 1 1 A 43 43 SER C C 43 174.872 173.674 1.198 1
1 562 . 12 1 1 A 43 43 SER CA C 43 58.809 56.711 2.098 1
1 563 . 12 1 1 A 43 43 SER CB C 43 63.615 64.719 -1.104 1
1 564 . 12 1 1 A 43 43 SER N N 43 116.338 115.842 0.496 1
1 565 . 12 1 1 A 44 44 SER H H 44 8.247 8.802 -0.555 1
1 566 . 12 1 1 A 44 44 SER HA H 44 4.441 4.944 -0.503 1
1 569 . 12 1 1 A 44 44 SER C C 44 174.653 173.006 1.647 1
1 570 . 12 1 1 A 44 44 SER CA C 44 58.697 57.664 1.033 1
1 571 . 12 1 1 A 44 44 SER CB C 44 63.743 67.077 -3.334 1
1 572 . 12 1 1 A 44 44 SER N N 44 117.375 121.781 -4.406 1
1 573 . 12 1 1 A 45 45 MET H H 45 8.194 8.607 -0.413 1
1 574 . 12 1 1 A 45 45 MET HA H 45 4.417 4.602 -0.185 1
1 579 . 12 1 1 A 45 45 MET C C 45 176.033 175.979 0.054 1
1 580 . 12 1 1 A 45 45 MET CA C 45 55.795 54.521 1.274 1
1 581 . 12 1 1 A 45 45 MET CB C 45 32.840 33.549 -0.709 1
1 583 . 12 1 1 A 45 45 MET N N 45 122.021 122.105 -0.084 1
1 584 . 12 1 1 A 46 46 LYS H H 46 8.220 8.465 -0.245 1
1 585 . 12 1 1 A 46 46 LYS HA H 46 4.276 4.417 -0.141 1
1 594 . 12 1 1 A 46 46 LYS C C 46 176.299 175.359 0.940 1
1 595 . 12 1 1 A 46 46 LYS CA C 46 56.399 55.831 0.568 1
1 596 . 12 1 1 A 46 46 LYS CB C 46 32.834 31.727 1.107 1
1 600 . 12 1 1 A 46 46 LYS N N 46 122.277 122.137 0.140 1
1 601 . 12 1 1 A 47 47 LEU H H 47 8.210 8.382 -0.172 1
1 602 . 12 1 1 A 47 47 LEU HA H 47 4.299 4.687 -0.388 1
1 612 . 12 1 1 A 47 47 LEU C C 47 177.189 176.930 0.259 1
1 613 . 12 1 1 A 47 47 LEU CA C 47 55.134 54.560 0.574 1
1 614 . 12 1 1 A 47 47 LEU CB C 47 42.301 40.907 1.394 1
1 618 . 12 1 1 A 47 47 LEU N N 47 123.549 126.553 -3.004 1
1 9 . 13 1 1 A 2 2 ILE HA H 2 4.350 4.564 -0.214 1
1 19 . 13 1 1 A 2 2 ILE C C 2 174.508 173.294 1.214 1
1 20 . 13 1 1 A 2 2 ILE CA C 2 61.095 60.305 0.790 1
1 21 . 13 1 1 A 2 2 ILE CB C 2 39.193 41.286 -2.093 1
1 25 . 13 1 1 A 3 3 SER H H 3 8.112 8.854 -0.742 1
1 26 . 13 1 1 A 3 3 SER HA H 3 4.414 4.824 -0.410 1
1 29 . 13 1 1 A 3 3 SER C C 3 174.652 174.975 -0.323 1
1 30 . 13 1 1 A 3 3 SER CA C 3 57.714 56.119 1.595 1
1 31 . 13 1 1 A 3 3 SER CB C 3 64.725 66.012 -1.287 1
1 32 . 13 1 1 A 3 3 SER N N 3 119.280 124.625 -5.345 1
1 33 . 13 1 1 A 4 4 ASN H H 4 8.832 8.963 -0.131 1
1 34 . 13 1 1 A 4 4 ASN HA H 4 4.511 4.486 0.025 1
1 39 . 13 1 1 A 4 4 ASN C C 4 177.606 177.626 -0.020 1
1 40 . 13 1 1 A 4 4 ASN CA C 4 55.617 56.702 -1.085 1
1 41 . 13 1 1 A 4 4 ASN CB C 4 37.972 37.968 0.004 1
1 43 . 13 1 1 A 4 4 ASN N N 4 120.760 123.914 -3.154 1
1 45 . 13 1 1 A 5 5 ALA H H 5 8.504 8.203 0.301 1
1 46 . 13 1 1 A 5 5 ALA HA H 5 4.191 4.077 0.114 1
1 50 . 13 1 1 A 5 5 ALA C C 5 180.504 179.883 0.621 1
1 51 . 13 1 1 A 5 5 ALA CA C 5 54.896 54.955 -0.059 1
1 52 . 13 1 1 A 5 5 ALA CB C 5 18.468 18.311 0.157 1
1 53 . 13 1 1 A 5 5 ALA N N 5 123.401 122.655 0.746 1
1 54 . 13 1 1 A 6 6 LYS H H 6 7.844 7.689 0.155 1
1 55 . 13 1 1 A 6 6 LYS HA H 6 4.119 4.125 -0.006 1
1 64 . 13 1 1 A 6 6 LYS C C 6 178.320 179.578 -1.258 1
1 65 . 13 1 1 A 6 6 LYS CA C 6 59.550 59.414 0.136 1
1 66 . 13 1 1 A 6 6 LYS CB C 6 32.639 32.613 0.026 1
1 70 . 13 1 1 A 6 6 LYS N N 6 119.908 117.414 2.494 1
1 71 . 13 1 1 A 7 7 ILE H H 7 7.887 8.039 -0.152 1
1 72 . 13 1 1 A 7 7 ILE HA H 7 3.615 3.584 0.031 1
1 82 . 13 1 1 A 7 7 ILE C C 7 177.784 177.543 0.241 1
1 83 . 13 1 1 A 7 7 ILE CA C 7 64.351 66.037 -1.686 1
1 84 . 13 1 1 A 7 7 ILE CB C 7 37.623 38.431 -0.808 1
1 88 . 13 1 1 A 7 7 ILE N N 7 120.487 120.820 -0.333 1
1 89 . 13 1 1 A 8 8 ALA H H 8 8.062 8.780 -0.718 1
1 90 . 13 1 1 A 8 8 ALA HA H 8 4.160 3.889 0.271 1
1 94 . 13 1 1 A 8 8 ALA C C 8 180.625 179.377 1.248 1
1 95 . 13 1 1 A 8 8 ALA CA C 8 55.102 55.017 0.085 1
1 96 . 13 1 1 A 8 8 ALA CB C 8 17.517 18.231 -0.714 1
1 97 . 13 1 1 A 8 8 ALA N N 8 121.576 121.631 -0.055 1
1 98 . 13 1 1 A 9 9 ARG H H 9 7.769 7.651 0.118 1
1 99 . 13 1 1 A 9 9 ARG HA H 9 4.226 4.071 0.155 1
1 107 . 13 1 1 A 9 9 ARG C C 9 178.076 178.805 -0.729 1
1 108 . 13 1 1 A 9 9 ARG CA C 9 57.517 59.089 -1.572 1
1 109 . 13 1 1 A 9 9 ARG CB C 9 29.638 29.648 -0.010 1
1 112 . 13 1 1 A 9 9 ARG N N 9 120.694 118.251 2.443 1
1 114 . 13 1 1 A 10 10 ILE H H 10 8.462 8.217 0.245 1
1 115 . 13 1 1 A 10 10 ILE HA H 10 3.576 3.532 0.044 1
1 125 . 13 1 1 A 10 10 ILE C C 10 179.221 178.099 1.122 1
1 126 . 13 1 1 A 10 10 ILE CA C 10 66.414 65.687 0.727 1
1 127 . 13 1 1 A 10 10 ILE CB C 10 37.872 37.731 0.141 1
1 131 . 13 1 1 A 10 10 ILE N N 10 121.475 119.726 1.749 1
1 132 . 13 1 1 A 11 11 ASN H H 11 8.161 8.437 -0.276 1
1 133 . 13 1 1 A 11 11 ASN HA H 11 4.485 4.375 0.110 1
1 138 . 13 1 1 A 11 11 ASN C C 11 178.124 177.974 0.150 1
1 139 . 13 1 1 A 11 11 ASN CA C 11 55.961 56.520 -0.559 1
1 140 . 13 1 1 A 11 11 ASN CB C 11 37.642 37.716 -0.074 1
1 142 . 13 1 1 A 11 11 ASN N N 11 119.357 118.559 0.798 1
1 144 . 13 1 1 A 12 12 GLU H H 12 8.528 8.244 0.284 1
1 145 . 13 1 1 A 12 12 GLU HA H 12 4.111 4.008 0.103 1
1 150 . 13 1 1 A 12 12 GLU C C 12 179.650 179.406 0.244 1
1 151 . 13 1 1 A 12 12 GLU CA C 12 59.252 59.128 0.124 1
1 152 . 13 1 1 A 12 12 GLU CB C 12 30.026 29.395 0.631 1
1 154 . 13 1 1 A 12 12 GLU N N 12 124.689 120.114 4.575 1
1 155 . 13 1 1 A 13 13 LEU H H 13 8.669 8.331 0.338 1
1 156 . 13 1 1 A 13 13 LEU HA H 13 3.948 4.027 -0.079 1
1 166 . 13 1 1 A 13 13 LEU C C 13 178.491 179.225 -0.734 1
1 167 . 13 1 1 A 13 13 LEU CA C 13 57.835 57.741 0.094 1
1 168 . 13 1 1 A 13 13 LEU CB C 13 41.160 40.773 0.387 1
1 172 . 13 1 1 A 13 13 LEU N N 13 119.467 119.932 -0.465 1
1 173 . 13 1 1 A 14 14 ALA H H 14 8.326 8.478 -0.152 1
1 174 . 13 1 1 A 14 14 ALA HA H 14 4.076 4.017 0.059 1
1 178 . 13 1 1 A 14 14 ALA C C 14 180.903 179.179 1.724 1
1 179 . 13 1 1 A 14 14 ALA CA C 14 55.100 55.423 -0.323 1
1 180 . 13 1 1 A 14 14 ALA CB C 14 17.838 17.600 0.238 1
1 181 . 13 1 1 A 14 14 ALA N N 14 122.290 122.293 -0.003 1
1 182 . 13 1 1 A 15 15 ALA H H 15 7.794 7.900 -0.106 1
1 183 . 13 1 1 A 15 15 ALA HA H 15 4.176 4.003 0.173 1
1 187 . 13 1 1 A 15 15 ALA C C 15 181.255 180.089 1.166 1
1 188 . 13 1 1 A 15 15 ALA CA C 15 55.196 55.446 -0.250 1
1 189 . 13 1 1 A 15 15 ALA CB C 15 17.568 18.169 -0.601 1
1 190 . 13 1 1 A 15 15 ALA N N 15 121.829 119.903 1.926 1
1 191 . 13 1 1 A 16 16 LYS H H 16 7.977 8.136 -0.159 1
1 192 . 13 1 1 A 16 16 LYS HA H 16 4.026 4.027 -0.001 1
1 201 . 13 1 1 A 16 16 LYS C C 16 179.086 178.868 0.218 1
1 202 . 13 1 1 A 16 16 LYS CA C 16 59.878 59.395 0.483 1
1 203 . 13 1 1 A 16 16 LYS CB C 16 32.727 32.168 0.559 1
1 207 . 13 1 1 A 16 16 LYS N N 16 120.084 116.583 3.501 1
1 208 . 13 1 1 A 17 17 ALA H H 17 8.527 8.241 0.286 1
1 209 . 13 1 1 A 17 17 ALA HA H 17 4.026 4.084 -0.058 1
1 213 . 13 1 1 A 17 17 ALA C C 17 181.147 180.039 1.108 1
1 214 . 13 1 1 A 17 17 ALA CA C 17 54.993 55.505 -0.512 1
1 215 . 13 1 1 A 17 17 ALA CB C 17 17.858 18.652 -0.794 1
1 216 . 13 1 1 A 17 17 ALA N N 17 123.164 121.916 1.248 1
1 217 . 13 1 1 A 18 18 LYS H H 18 8.125 8.201 -0.076 1
1 218 . 13 1 1 A 18 18 LYS HA H 18 4.053 4.083 -0.030 1
1 227 . 13 1 1 A 18 18 LYS C C 18 177.994 178.591 -0.597 1
1 228 . 13 1 1 A 18 18 LYS CA C 18 58.961 58.964 -0.003 1
1 229 . 13 1 1 A 18 18 LYS CB C 18 32.400 32.282 0.118 1
1 233 . 13 1 1 A 18 18 LYS N N 18 120.927 117.589 3.338 1
1 234 . 13 1 1 A 19 19 ALA H H 19 7.659 7.597 0.062 1
1 235 . 13 1 1 A 19 19 ALA HA H 19 4.355 4.348 0.007 1
1 239 . 13 1 1 A 19 19 ALA C C 19 177.769 177.830 -0.061 1
1 240 . 13 1 1 A 19 19 ALA CA C 19 52.453 52.060 0.393 1
1 241 . 13 1 1 A 19 19 ALA CB C 19 19.483 19.491 -0.008 1
1 242 . 13 1 1 A 19 19 ALA N N 19 118.300 118.621 -0.321 1
1 243 . 13 1 1 A 20 20 GLY H H 20 7.758 7.715 0.043 1
1 244 . 13 1 1 A 20 20 GLY HA2 H 20 4.180 3.920 0.260 1
1 245 . 13 1 1 A 20 20 GLY HA3 H 20 3.947 3.920 0.027 1
1 246 . 13 1 1 A 20 20 GLY C C 20 175.031 174.820 0.211 1
1 247 . 13 1 1 A 20 20 GLY CA C 20 45.907 45.599 0.308 1
1 248 . 13 1 1 A 20 20 GLY N N 20 105.949 106.109 -0.160 1
1 249 . 13 1 1 A 21 21 VAL H H 21 7.678 7.757 -0.079 1
1 250 . 13 1 1 A 21 21 VAL HA H 21 4.608 4.290 0.318 1
1 258 . 13 1 1 A 21 21 VAL C C 21 175.837 174.993 0.844 1
1 259 . 13 1 1 A 21 21 VAL CA C 21 60.158 60.955 -0.797 1
1 260 . 13 1 1 A 21 21 VAL CB C 21 32.525 31.576 0.949 1
1 263 . 13 1 1 A 21 21 VAL N N 21 109.739 116.803 -7.064 1
1 264 . 13 1 1 A 22 22 ILE H H 22 6.842 7.407 -0.565 1
1 265 . 13 1 1 A 22 22 ILE HA H 22 4.347 4.816 -0.469 1
1 275 . 13 1 1 A 22 22 ILE C C 22 174.145 175.678 -1.533 1
1 276 . 13 1 1 A 22 22 ILE CA C 22 61.285 59.590 1.695 1
1 277 . 13 1 1 A 22 22 ILE CB C 22 40.142 40.698 -0.556 1
1 281 . 13 1 1 A 22 22 ILE N N 22 124.020 124.452 -0.432 1
1 282 . 13 1 1 A 23 23 THR H H 23 9.104 8.913 0.191 1
1 283 . 13 1 1 A 23 23 THR HA H 23 4.597 4.724 -0.127 1
1 288 . 13 1 1 A 23 23 THR C C 23 175.820 176.035 -0.215 1
1 289 . 13 1 1 A 23 23 THR CA C 23 61.139 60.585 0.554 1
1 290 . 13 1 1 A 23 23 THR CB C 23 71.396 71.411 -0.015 1
1 292 . 13 1 1 A 23 23 THR N N 23 120.184 117.350 2.834 1
1 293 . 13 1 1 A 24 24 GLU H H 24 9.011 9.045 -0.034 1
1 294 . 13 1 1 A 24 24 GLU HA H 24 3.965 4.020 -0.055 1
1 299 . 13 1 1 A 24 24 GLU C C 24 180.012 178.950 1.062 1
1 300 . 13 1 1 A 24 24 GLU CA C 24 60.049 59.959 0.090 1
1 301 . 13 1 1 A 24 24 GLU CB C 24 29.095 29.223 -0.128 1
1 303 . 13 1 1 A 24 24 GLU N N 24 120.289 121.518 -1.229 1
1 304 . 13 1 1 A 25 25 GLU H H 25 8.917 8.203 0.714 1
1 305 . 13 1 1 A 25 25 GLU HA H 25 4.116 4.069 0.047 1
1 310 . 13 1 1 A 25 25 GLU C C 25 180.164 178.668 1.496 1
1 311 . 13 1 1 A 25 25 GLU CA C 25 60.042 59.393 0.649 1
1 312 . 13 1 1 A 25 25 GLU CB C 25 29.131 29.075 0.056 1
1 314 . 13 1 1 A 25 25 GLU N N 25 120.676 119.997 0.679 1
1 315 . 13 1 1 A 26 26 GLU H H 26 7.837 8.014 -0.177 1
1 316 . 13 1 1 A 26 26 GLU HA H 26 4.074 4.017 0.057 1
1 321 . 13 1 1 A 26 26 GLU C C 26 179.093 179.053 0.040 1
1 322 . 13 1 1 A 26 26 GLU CA C 26 58.684 59.200 -0.516 1
1 323 . 13 1 1 A 26 26 GLU CB C 26 30.606 29.357 1.249 1
1 325 . 13 1 1 A 26 26 GLU N N 26 121.997 118.714 3.283 1
1 326 . 13 1 1 A 27 27 LYS H H 27 8.659 8.068 0.591 1
1 327 . 13 1 1 A 27 27 LYS HA H 27 3.964 4.030 -0.066 1
1 336 . 13 1 1 A 27 27 LYS C C 27 179.776 179.028 0.748 1
1 337 . 13 1 1 A 27 27 LYS CA C 27 60.129 59.492 0.637 1
1 338 . 13 1 1 A 27 27 LYS CB C 27 32.537 32.414 0.123 1
1 342 . 13 1 1 A 27 27 LYS N N 27 121.367 119.446 1.921 1
1 343 . 13 1 1 A 28 28 ALA H H 28 7.648 8.165 -0.517 1
1 344 . 13 1 1 A 28 28 ALA HA H 28 4.216 4.068 0.148 1
1 348 . 13 1 1 A 28 28 ALA C C 28 180.525 179.165 1.360 1
1 349 . 13 1 1 A 28 28 ALA CA C 28 55.014 55.023 -0.009 1
1 350 . 13 1 1 A 28 28 ALA CB C 28 17.610 18.413 -0.803 1
1 351 . 13 1 1 A 28 28 ALA N N 28 122.685 121.973 0.712 1
1 352 . 13 1 1 A 29 29 GLU H H 29 7.915 8.382 -0.467 1
1 353 . 13 1 1 A 29 29 GLU HA H 29 3.971 4.029 -0.058 1
1 358 . 13 1 1 A 29 29 GLU C C 29 178.193 178.582 -0.389 1
1 359 . 13 1 1 A 29 29 GLU CA C 29 59.269 59.638 -0.369 1
1 360 . 13 1 1 A 29 29 GLU CB C 29 29.467 29.127 0.340 1
1 362 . 13 1 1 A 29 29 GLU N N 29 122.691 118.167 4.524 1
1 363 . 13 1 1 A 30 30 GLN H H 30 8.891 8.310 0.581 1
1 364 . 13 1 1 A 30 30 GLN HA H 30 3.805 4.012 -0.207 1
1 371 . 13 1 1 A 30 30 GLN C C 30 177.828 178.538 -0.710 1
1 372 . 13 1 1 A 30 30 GLN CA C 30 59.703 59.045 0.658 1
1 373 . 13 1 1 A 30 30 GLN CB C 30 29.404 28.334 1.070 1
1 376 . 13 1 1 A 30 30 GLN N N 30 119.325 118.903 0.422 1
1 378 . 13 1 1 A 31 31 GLN H H 31 7.874 8.234 -0.360 1
1 379 . 13 1 1 A 31 31 GLN HA H 31 4.085 3.982 0.103 1
1 386 . 13 1 1 A 31 31 GLN C C 31 178.371 178.317 0.054 1
1 387 . 13 1 1 A 31 31 GLN CA C 31 58.842 58.955 -0.113 1
1 388 . 13 1 1 A 31 31 GLN CB C 31 28.283 28.324 -0.041 1
1 391 . 13 1 1 A 31 31 GLN N N 31 118.010 118.519 -0.509 1
1 393 . 13 1 1 A 32 32 LYS H H 32 7.739 7.688 0.051 1
1 394 . 13 1 1 A 32 32 LYS HA H 32 4.096 4.063 0.033 1
1 403 . 13 1 1 A 32 32 LYS C C 32 179.952 179.357 0.595 1
1 404 . 13 1 1 A 32 32 LYS CA C 32 59.708 59.505 0.203 1
1 405 . 13 1 1 A 32 32 LYS CB C 32 32.403 32.084 0.319 1
1 409 . 13 1 1 A 32 32 LYS N N 32 120.842 121.195 -0.353 1
1 410 . 13 1 1 A 33 33 LEU H H 33 8.617 8.533 0.084 1
1 411 . 13 1 1 A 33 33 LEU HA H 33 4.153 4.046 0.107 1
1 421 . 13 1 1 A 33 33 LEU C C 33 179.446 179.408 0.038 1
1 422 . 13 1 1 A 33 33 LEU CA C 33 57.774 57.640 0.134 1
1 423 . 13 1 1 A 33 33 LEU CB C 33 42.585 40.923 1.662 1
1 427 . 13 1 1 A 33 33 LEU N N 33 120.088 119.365 0.723 1
1 428 . 13 1 1 A 34 34 ARG H H 34 8.413 8.496 -0.083 1
1 429 . 13 1 1 A 34 34 ARG HA H 34 4.009 4.068 -0.059 1
1 436 . 13 1 1 A 34 34 ARG C C 34 178.614 179.186 -0.572 1
1 437 . 13 1 1 A 34 34 ARG CA C 34 59.839 59.537 0.302 1
1 438 . 13 1 1 A 34 34 ARG CB C 34 29.772 29.873 -0.101 1
1 441 . 13 1 1 A 34 34 ARG N N 34 119.206 119.730 -0.524 1
1 442 . 13 1 1 A 35 35 GLN H H 35 7.850 7.890 -0.040 1
1 443 . 13 1 1 A 35 35 GLN HA H 35 4.085 4.150 -0.065 1
1 450 . 13 1 1 A 35 35 GLN C C 35 178.621 178.666 -0.045 1
1 451 . 13 1 1 A 35 35 GLN CA C 35 58.771 58.888 -0.117 1
1 452 . 13 1 1 A 35 35 GLN CB C 35 28.331 28.174 0.157 1
1 455 . 13 1 1 A 35 35 GLN N N 35 117.434 118.863 -1.429 1
1 457 . 13 1 1 A 36 36 GLU H H 36 7.939 7.923 0.016 1
1 458 . 13 1 1 A 36 36 GLU HA H 36 4.015 4.027 -0.012 1
1 463 . 13 1 1 A 36 36 GLU C C 36 178.975 178.505 0.470 1
1 464 . 13 1 1 A 36 36 GLU CA C 36 59.271 59.541 -0.270 1
1 465 . 13 1 1 A 36 36 GLU CB C 36 29.750 29.357 0.393 1
1 467 . 13 1 1 A 36 36 GLU N N 36 119.554 120.967 -1.413 1
1 468 . 13 1 1 A 37 37 TYR H H 37 8.578 8.511 0.067 1
1 469 . 13 1 1 A 37 37 TYR HA H 37 4.164 4.187 -0.023 1
1 476 . 13 1 1 A 37 37 TYR C C 37 177.550 177.454 0.096 1
1 477 . 13 1 1 A 37 37 TYR CA C 37 60.590 61.550 -0.960 1
1 478 . 13 1 1 A 37 37 TYR CB C 37 38.709 38.824 -0.115 1
1 483 . 13 1 1 A 37 37 TYR N N 37 120.782 122.563 -1.781 1
1 484 . 13 1 1 A 38 38 LEU H H 38 8.229 8.112 0.117 1
1 485 . 13 1 1 A 38 38 LEU HA H 38 4.072 4.244 -0.172 1
1 495 . 13 1 1 A 38 38 LEU C C 38 178.983 176.425 2.558 1
1 496 . 13 1 1 A 38 38 LEU CA C 38 57.053 57.949 -0.896 1
1 497 . 13 1 1 A 38 38 LEU CB C 38 42.020 42.080 -0.060 1
1 501 . 13 1 1 A 38 38 LEU N N 38 119.275 119.660 -0.385 1
1 502 . 13 1 1 A 39 39 LYS H H 39 7.790 8.030 -0.240 1
1 503 . 13 1 1 A 39 39 LYS HA H 39 4.152 3.884 0.268 1
1 512 . 13 1 1 A 39 39 LYS C C 39 178.123 176.381 1.742 1
1 513 . 13 1 1 A 39 39 LYS CA C 39 58.197 57.149 1.048 1
1 514 . 13 1 1 A 39 39 LYS CB C 39 32.466 30.719 1.747 1
1 518 . 13 1 1 A 39 39 LYS N N 39 118.917 116.297 2.620 1
1 519 . 13 1 1 A 40 40 GLY H H 40 7.885 8.313 -0.428 1
1 520 . 13 1 1 A 40 40 GLY HA2 H 40 3.970 3.797 0.173 1
1 521 . 13 1 1 A 40 40 GLY HA3 H 40 3.768 3.881 -0.113 1
1 522 . 13 1 1 A 40 40 GLY C C 40 174.349 174.362 -0.013 1
1 523 . 13 1 1 A 40 40 GLY CA C 40 45.758 45.108 0.650 1
1 524 . 13 1 1 A 40 40 GLY N N 40 106.796 104.121 2.675 1
1 525 . 13 1 1 A 41 41 PHE H H 41 7.859 7.436 0.423 1
1 526 . 13 1 1 A 41 41 PHE HA H 41 4.455 4.416 0.039 1
1 534 . 13 1 1 A 41 41 PHE C C 41 176.028 176.591 -0.563 1
1 535 . 13 1 1 A 41 41 PHE CA C 41 58.735 58.578 0.157 1
1 536 . 13 1 1 A 41 41 PHE CB C 41 39.408 38.823 0.585 1
1 542 . 13 1 1 A 41 41 PHE N N 41 120.317 119.597 0.720 1
1 543 . 13 1 1 A 42 42 ARG H H 42 8.044 9.061 -1.017 1
1 544 . 13 1 1 A 42 42 ARG HA H 42 4.269 3.933 0.336 1
1 551 . 13 1 1 A 42 42 ARG C C 42 176.487 176.882 -0.395 1
1 552 . 13 1 1 A 42 42 ARG CA C 42 56.505 58.689 -2.184 1
1 553 . 13 1 1 A 42 42 ARG CB C 42 30.801 28.183 2.618 1
1 556 . 13 1 1 A 42 42 ARG N N 42 121.581 120.686 0.895 1
1 557 . 13 1 1 A 43 43 SER H H 43 8.218 8.689 -0.471 1
1 558 . 13 1 1 A 43 43 SER HA H 43 4.389 4.230 0.159 1
1 561 . 13 1 1 A 43 43 SER C C 43 174.872 175.220 -0.348 1
1 562 . 13 1 1 A 43 43 SER CA C 43 58.809 61.100 -2.291 1
1 563 . 13 1 1 A 43 43 SER CB C 43 63.615 64.365 -0.750 1
1 564 . 13 1 1 A 43 43 SER N N 43 116.338 114.907 1.431 1
1 565 . 13 1 1 A 44 44 SER H H 44 8.247 8.079 0.168 1
1 566 . 13 1 1 A 44 44 SER HA H 44 4.441 4.086 0.355 1
1 569 . 13 1 1 A 44 44 SER C C 44 174.653 174.132 0.521 1
1 570 . 13 1 1 A 44 44 SER CA C 44 58.697 59.468 -0.771 1
1 571 . 13 1 1 A 44 44 SER CB C 44 63.743 62.473 1.270 1
1 572 . 13 1 1 A 44 44 SER N N 44 117.375 116.500 0.875 1
1 573 . 13 1 1 A 45 45 MET H H 45 8.194 7.833 0.361 1
1 574 . 13 1 1 A 45 45 MET HA H 45 4.417 4.413 0.004 1
1 579 . 13 1 1 A 45 45 MET C C 45 176.033 177.212 -1.179 1
1 580 . 13 1 1 A 45 45 MET CA C 45 55.795 55.941 -0.146 1
1 581 . 13 1 1 A 45 45 MET CB C 45 32.840 33.710 -0.870 1
1 583 . 13 1 1 A 45 45 MET N N 45 122.021 120.728 1.293 1
1 584 . 13 1 1 A 46 46 LYS H H 46 8.220 8.942 -0.722 1
1 585 . 13 1 1 A 46 46 LYS HA H 46 4.276 4.461 -0.185 1
1 594 . 13 1 1 A 46 46 LYS C C 46 176.299 175.849 0.450 1
1 595 . 13 1 1 A 46 46 LYS CA C 46 56.399 55.873 0.526 1
1 596 . 13 1 1 A 46 46 LYS CB C 46 32.834 31.939 0.895 1
1 600 . 13 1 1 A 46 46 LYS N N 46 122.277 127.747 -5.470 1
1 601 . 13 1 1 A 47 47 LEU H H 47 8.210 7.529 0.681 1
1 602 . 13 1 1 A 47 47 LEU HA H 47 4.299 4.373 -0.074 1
1 612 . 13 1 1 A 47 47 LEU C C 47 177.189 175.764 1.425 1
1 613 . 13 1 1 A 47 47 LEU CA C 47 55.134 54.427 0.707 1
1 614 . 13 1 1 A 47 47 LEU CB C 47 42.301 41.223 1.078 1
1 618 . 13 1 1 A 47 47 LEU N N 47 123.549 122.944 0.605 1
1 9 . 14 1 1 A 2 2 ILE HA H 2 4.350 4.225 0.125 1
1 19 . 14 1 1 A 2 2 ILE C C 2 174.508 174.679 -0.171 1
1 20 . 14 1 1 A 2 2 ILE CA C 2 61.095 62.090 -0.995 1
1 21 . 14 1 1 A 2 2 ILE CB C 2 39.193 38.680 0.513 1
1 25 . 14 1 1 A 3 3 SER H H 3 8.112 8.475 -0.363 1
1 26 . 14 1 1 A 3 3 SER HA H 3 4.414 4.993 -0.579 1
1 29 . 14 1 1 A 3 3 SER C C 3 174.652 175.131 -0.479 1
1 30 . 14 1 1 A 3 3 SER CA C 3 57.714 55.740 1.974 1
1 31 . 14 1 1 A 3 3 SER CB C 3 64.725 66.790 -2.065 1
1 32 . 14 1 1 A 3 3 SER N N 3 119.280 121.291 -2.011 1
1 33 . 14 1 1 A 4 4 ASN H H 4 8.832 9.142 -0.310 1
1 34 . 14 1 1 A 4 4 ASN HA H 4 4.511 4.459 0.052 1
1 39 . 14 1 1 A 4 4 ASN C C 4 177.606 177.592 0.014 1
1 40 . 14 1 1 A 4 4 ASN CA C 4 55.617 56.601 -0.984 1
1 41 . 14 1 1 A 4 4 ASN CB C 4 37.972 38.150 -0.178 1
1 43 . 14 1 1 A 4 4 ASN N N 4 120.760 120.412 0.348 1
1 45 . 14 1 1 A 5 5 ALA H H 5 8.504 8.263 0.241 1
1 46 . 14 1 1 A 5 5 ALA HA H 5 4.191 4.027 0.164 1
1 50 . 14 1 1 A 5 5 ALA C C 5 180.504 179.333 1.171 1
1 51 . 14 1 1 A 5 5 ALA CA C 5 54.896 55.367 -0.471 1
1 52 . 14 1 1 A 5 5 ALA CB C 5 18.468 18.066 0.402 1
1 53 . 14 1 1 A 5 5 ALA N N 5 123.401 122.853 0.548 1
1 54 . 14 1 1 A 6 6 LYS H H 6 7.844 8.131 -0.287 1
1 55 . 14 1 1 A 6 6 LYS HA H 6 4.119 4.051 0.068 1
1 64 . 14 1 1 A 6 6 LYS C C 6 178.320 179.783 -1.463 1
1 65 . 14 1 1 A 6 6 LYS CA C 6 59.550 59.287 0.263 1
1 66 . 14 1 1 A 6 6 LYS CB C 6 32.639 32.569 0.070 1
1 70 . 14 1 1 A 6 6 LYS N N 6 119.908 117.503 2.405 1
1 71 . 14 1 1 A 7 7 ILE H H 7 7.887 8.418 -0.531 1
1 72 . 14 1 1 A 7 7 ILE HA H 7 3.615 3.791 -0.176 1
1 82 . 14 1 1 A 7 7 ILE C C 7 177.784 177.763 0.021 1
1 83 . 14 1 1 A 7 7 ILE CA C 7 64.351 65.534 -1.183 1
1 84 . 14 1 1 A 7 7 ILE CB C 7 37.623 37.982 -0.359 1
1 88 . 14 1 1 A 7 7 ILE N N 7 120.487 120.967 -0.480 1
1 89 . 14 1 1 A 8 8 ALA H H 8 8.062 8.557 -0.495 1
1 90 . 14 1 1 A 8 8 ALA HA H 8 4.160 3.913 0.247 1
1 94 . 14 1 1 A 8 8 ALA C C 8 180.625 179.344 1.281 1
1 95 . 14 1 1 A 8 8 ALA CA C 8 55.102 55.690 -0.588 1
1 96 . 14 1 1 A 8 8 ALA CB C 8 17.517 18.513 -0.996 1
1 97 . 14 1 1 A 8 8 ALA N N 8 121.576 121.760 -0.184 1
1 98 . 14 1 1 A 9 9 ARG H H 9 7.769 7.785 -0.016 1
1 99 . 14 1 1 A 9 9 ARG HA H 9 4.226 4.105 0.121 1
1 107 . 14 1 1 A 9 9 ARG C C 9 178.076 178.707 -0.631 1
1 108 . 14 1 1 A 9 9 ARG CA C 9 57.517 58.652 -1.135 1
1 109 . 14 1 1 A 9 9 ARG CB C 9 29.638 29.857 -0.219 1
1 112 . 14 1 1 A 9 9 ARG N N 9 120.694 118.625 2.069 1
1 114 . 14 1 1 A 10 10 ILE H H 10 8.462 8.332 0.130 1
1 115 . 14 1 1 A 10 10 ILE HA H 10 3.576 3.515 0.061 1
1 125 . 14 1 1 A 10 10 ILE C C 10 179.221 177.674 1.547 1
1 126 . 14 1 1 A 10 10 ILE CA C 10 66.414 65.458 0.956 1
1 127 . 14 1 1 A 10 10 ILE CB C 10 37.872 37.993 -0.121 1
1 131 . 14 1 1 A 10 10 ILE N N 10 121.475 120.069 1.406 1
1 132 . 14 1 1 A 11 11 ASN H H 11 8.161 8.513 -0.352 1
1 133 . 14 1 1 A 11 11 ASN HA H 11 4.485 4.386 0.099 1
1 138 . 14 1 1 A 11 11 ASN C C 11 178.124 177.955 0.169 1
1 139 . 14 1 1 A 11 11 ASN CA C 11 55.961 56.447 -0.486 1
1 140 . 14 1 1 A 11 11 ASN CB C 11 37.642 38.016 -0.374 1
1 142 . 14 1 1 A 11 11 ASN N N 11 119.357 118.247 1.110 1
1 144 . 14 1 1 A 12 12 GLU H H 12 8.528 8.250 0.278 1
1 145 . 14 1 1 A 12 12 GLU HA H 12 4.111 4.046 0.065 1
1 150 . 14 1 1 A 12 12 GLU C C 12 179.650 178.931 0.719 1
1 151 . 14 1 1 A 12 12 GLU CA C 12 59.252 59.006 0.246 1
1 152 . 14 1 1 A 12 12 GLU CB C 12 30.026 29.365 0.661 1
1 154 . 14 1 1 A 12 12 GLU N N 12 124.689 119.616 5.073 1
1 155 . 14 1 1 A 13 13 LEU H H 13 8.669 8.448 0.221 1
1 156 . 14 1 1 A 13 13 LEU HA H 13 3.948 4.021 -0.073 1
1 166 . 14 1 1 A 13 13 LEU C C 13 178.491 178.956 -0.465 1
1 167 . 14 1 1 A 13 13 LEU CA C 13 57.835 57.932 -0.097 1
1 168 . 14 1 1 A 13 13 LEU CB C 13 41.160 41.507 -0.347 1
1 172 . 14 1 1 A 13 13 LEU N N 13 119.467 120.250 -0.783 1
1 173 . 14 1 1 A 14 14 ALA H H 14 8.326 8.312 0.014 1
1 174 . 14 1 1 A 14 14 ALA HA H 14 4.076 4.066 0.010 1
1 178 . 14 1 1 A 14 14 ALA C C 14 180.903 179.381 1.522 1
1 179 . 14 1 1 A 14 14 ALA CA C 14 55.100 55.716 -0.616 1
1 180 . 14 1 1 A 14 14 ALA CB C 14 17.838 17.822 0.016 1
1 181 . 14 1 1 A 14 14 ALA N N 14 122.290 121.994 0.296 1
1 182 . 14 1 1 A 15 15 ALA H H 15 7.794 7.796 -0.002 1
1 183 . 14 1 1 A 15 15 ALA HA H 15 4.176 4.041 0.135 1
1 187 . 14 1 1 A 15 15 ALA C C 15 181.255 179.640 1.615 1
1 188 . 14 1 1 A 15 15 ALA CA C 15 55.196 55.003 0.193 1
1 189 . 14 1 1 A 15 15 ALA CB C 15 17.568 18.150 -0.582 1
1 190 . 14 1 1 A 15 15 ALA N N 15 121.829 119.938 1.891 1
1 191 . 14 1 1 A 16 16 LYS H H 16 7.977 8.320 -0.343 1
1 192 . 14 1 1 A 16 16 LYS HA H 16 4.026 4.076 -0.050 1
1 201 . 14 1 1 A 16 16 LYS C C 16 179.086 178.889 0.197 1
1 202 . 14 1 1 A 16 16 LYS CA C 16 59.878 59.059 0.819 1
1 203 . 14 1 1 A 16 16 LYS CB C 16 32.727 32.175 0.552 1
1 207 . 14 1 1 A 16 16 LYS N N 16 120.084 116.515 3.569 1
1 208 . 14 1 1 A 17 17 ALA H H 17 8.527 8.321 0.206 1
1 209 . 14 1 1 A 17 17 ALA HA H 17 4.026 4.040 -0.014 1
1 213 . 14 1 1 A 17 17 ALA C C 17 181.147 179.322 1.825 1
1 214 . 14 1 1 A 17 17 ALA CA C 17 54.993 55.185 -0.192 1
1 215 . 14 1 1 A 17 17 ALA CB C 17 17.858 18.150 -0.292 1
1 216 . 14 1 1 A 17 17 ALA N N 17 123.164 122.504 0.660 1
1 217 . 14 1 1 A 18 18 LYS H H 18 8.125 8.053 0.072 1
1 218 . 14 1 1 A 18 18 LYS HA H 18 4.053 3.951 0.102 1
1 227 . 14 1 1 A 18 18 LYS C C 18 177.994 178.387 -0.393 1
1 228 . 14 1 1 A 18 18 LYS CA C 18 58.961 59.218 -0.257 1
1 229 . 14 1 1 A 18 18 LYS CB C 18 32.400 32.389 0.011 1
1 233 . 14 1 1 A 18 18 LYS N N 18 120.927 118.737 2.190 1
1 234 . 14 1 1 A 19 19 ALA H H 19 7.659 7.631 0.028 1
1 235 . 14 1 1 A 19 19 ALA HA H 19 4.355 4.341 0.014 1
1 239 . 14 1 1 A 19 19 ALA C C 19 177.769 177.823 -0.054 1
1 240 . 14 1 1 A 19 19 ALA CA C 19 52.453 52.035 0.418 1
1 241 . 14 1 1 A 19 19 ALA CB C 19 19.483 19.491 -0.008 1
1 242 . 14 1 1 A 19 19 ALA N N 19 118.300 119.049 -0.749 1
1 243 . 14 1 1 A 20 20 GLY H H 20 7.758 7.570 0.188 1
1 244 . 14 1 1 A 20 20 GLY HA2 H 20 4.180 3.946 0.234 1
1 245 . 14 1 1 A 20 20 GLY HA3 H 20 3.947 3.947 0.000 1
1 246 . 14 1 1 A 20 20 GLY C C 20 175.031 175.163 -0.132 1
1 247 . 14 1 1 A 20 20 GLY CA C 20 45.907 46.259 -0.352 1
1 248 . 14 1 1 A 20 20 GLY N N 20 105.949 106.538 -0.589 1
1 249 . 14 1 1 A 21 21 VAL H H 21 7.678 8.127 -0.449 1
1 250 . 14 1 1 A 21 21 VAL HA H 21 4.608 4.539 0.069 1
1 258 . 14 1 1 A 21 21 VAL C C 21 175.837 175.018 0.819 1
1 259 . 14 1 1 A 21 21 VAL CA C 21 60.158 60.808 -0.650 1
1 260 . 14 1 1 A 21 21 VAL CB C 21 32.525 31.863 0.662 1
1 263 . 14 1 1 A 21 21 VAL N N 21 109.739 116.482 -6.743 1
1 264 . 14 1 1 A 22 22 ILE H H 22 6.842 7.420 -0.578 1
1 265 . 14 1 1 A 22 22 ILE HA H 22 4.347 4.691 -0.344 1
1 275 . 14 1 1 A 22 22 ILE C C 22 174.145 175.627 -1.482 1
1 276 . 14 1 1 A 22 22 ILE CA C 22 61.285 59.489 1.796 1
1 277 . 14 1 1 A 22 22 ILE CB C 22 40.142 40.495 -0.353 1
1 281 . 14 1 1 A 22 22 ILE N N 22 124.020 124.411 -0.391 1
1 282 . 14 1 1 A 23 23 THR H H 23 9.104 8.993 0.111 1
1 283 . 14 1 1 A 23 23 THR HA H 23 4.597 4.721 -0.124 1
1 288 . 14 1 1 A 23 23 THR C C 23 175.820 175.995 -0.175 1
1 289 . 14 1 1 A 23 23 THR CA C 23 61.139 60.615 0.524 1
1 290 . 14 1 1 A 23 23 THR CB C 23 71.396 71.522 -0.126 1
1 292 . 14 1 1 A 23 23 THR N N 23 120.184 117.560 2.624 1
1 293 . 14 1 1 A 24 24 GLU H H 24 9.011 9.001 0.010 1
1 294 . 14 1 1 A 24 24 GLU HA H 24 3.965 3.994 -0.029 1
1 299 . 14 1 1 A 24 24 GLU C C 24 180.012 179.015 0.997 1
1 300 . 14 1 1 A 24 24 GLU CA C 24 60.049 60.098 -0.049 1
1 301 . 14 1 1 A 24 24 GLU CB C 24 29.095 29.218 -0.123 1
1 303 . 14 1 1 A 24 24 GLU N N 24 120.289 121.440 -1.151 1
1 304 . 14 1 1 A 25 25 GLU H H 25 8.917 8.375 0.542 1
1 305 . 14 1 1 A 25 25 GLU HA H 25 4.116 4.015 0.101 1
1 310 . 14 1 1 A 25 25 GLU C C 25 180.164 179.134 1.030 1
1 311 . 14 1 1 A 25 25 GLU CA C 25 60.042 59.582 0.460 1
1 312 . 14 1 1 A 25 25 GLU CB C 25 29.131 29.086 0.045 1
1 314 . 14 1 1 A 25 25 GLU N N 25 120.676 119.901 0.775 1
1 315 . 14 1 1 A 26 26 GLU H H 26 7.837 7.846 -0.009 1
1 316 . 14 1 1 A 26 26 GLU HA H 26 4.074 4.072 0.002 1
1 321 . 14 1 1 A 26 26 GLU C C 26 179.093 179.431 -0.338 1
1 322 . 14 1 1 A 26 26 GLU CA C 26 58.684 59.089 -0.405 1
1 323 . 14 1 1 A 26 26 GLU CB C 26 30.606 29.383 1.223 1
1 325 . 14 1 1 A 26 26 GLU N N 26 121.997 118.554 3.443 1
1 326 . 14 1 1 A 27 27 LYS H H 27 8.659 8.207 0.452 1
1 327 . 14 1 1 A 27 27 LYS HA H 27 3.964 4.016 -0.052 1
1 336 . 14 1 1 A 27 27 LYS C C 27 179.776 179.023 0.753 1
1 337 . 14 1 1 A 27 27 LYS CA C 27 60.129 59.238 0.891 1
1 338 . 14 1 1 A 27 27 LYS CB C 27 32.537 32.082 0.455 1
1 342 . 14 1 1 A 27 27 LYS N N 27 121.367 119.680 1.687 1
1 343 . 14 1 1 A 28 28 ALA H H 28 7.648 8.092 -0.444 1
1 344 . 14 1 1 A 28 28 ALA HA H 28 4.216 4.021 0.195 1
1 348 . 14 1 1 A 28 28 ALA C C 28 180.525 178.970 1.555 1
1 349 . 14 1 1 A 28 28 ALA CA C 28 55.014 55.362 -0.348 1
1 350 . 14 1 1 A 28 28 ALA CB C 28 17.610 18.307 -0.697 1
1 351 . 14 1 1 A 28 28 ALA N N 28 122.685 122.205 0.480 1
1 352 . 14 1 1 A 29 29 GLU H H 29 7.915 8.086 -0.171 1
1 353 . 14 1 1 A 29 29 GLU HA H 29 3.971 4.068 -0.097 1
1 358 . 14 1 1 A 29 29 GLU C C 29 178.193 178.537 -0.344 1
1 359 . 14 1 1 A 29 29 GLU CA C 29 59.269 59.306 -0.037 1
1 360 . 14 1 1 A 29 29 GLU CB C 29 29.467 29.316 0.151 1
1 362 . 14 1 1 A 29 29 GLU N N 29 122.691 118.632 4.059 1
1 363 . 14 1 1 A 30 30 GLN H H 30 8.891 8.352 0.539 1
1 364 . 14 1 1 A 30 30 GLN HA H 30 3.805 3.972 -0.167 1
1 371 . 14 1 1 A 30 30 GLN C C 30 177.828 178.397 -0.569 1
1 372 . 14 1 1 A 30 30 GLN CA C 30 59.703 59.273 0.430 1
1 373 . 14 1 1 A 30 30 GLN CB C 30 29.404 28.250 1.154 1
1 376 . 14 1 1 A 30 30 GLN N N 30 119.325 118.768 0.557 1
1 378 . 14 1 1 A 31 31 GLN H H 31 7.874 7.757 0.117 1
1 379 . 14 1 1 A 31 31 GLN HA H 31 4.085 4.015 0.070 1
1 386 . 14 1 1 A 31 31 GLN C C 31 178.371 178.506 -0.135 1
1 387 . 14 1 1 A 31 31 GLN CA C 31 58.842 59.008 -0.166 1
1 388 . 14 1 1 A 31 31 GLN CB C 31 28.283 28.558 -0.275 1
1 391 . 14 1 1 A 31 31 GLN N N 31 118.010 118.812 -0.802 1
1 393 . 14 1 1 A 32 32 LYS H H 32 7.739 7.769 -0.030 1
1 394 . 14 1 1 A 32 32 LYS HA H 32 4.096 4.117 -0.021 1
1 403 . 14 1 1 A 32 32 LYS C C 32 179.952 179.047 0.905 1
1 404 . 14 1 1 A 32 32 LYS CA C 32 59.708 58.878 0.830 1
1 405 . 14 1 1 A 32 32 LYS CB C 32 32.403 32.259 0.144 1
1 409 . 14 1 1 A 32 32 LYS N N 32 120.842 120.203 0.639 1
1 410 . 14 1 1 A 33 33 LEU H H 33 8.617 8.834 -0.217 1
1 411 . 14 1 1 A 33 33 LEU HA H 33 4.153 4.042 0.111 1
1 421 . 14 1 1 A 33 33 LEU C C 33 179.446 179.134 0.312 1
1 422 . 14 1 1 A 33 33 LEU CA C 33 57.774 57.894 -0.120 1
1 423 . 14 1 1 A 33 33 LEU CB C 33 42.585 40.859 1.726 1
1 427 . 14 1 1 A 33 33 LEU N N 33 120.088 119.539 0.549 1
1 428 . 14 1 1 A 34 34 ARG H H 34 8.413 8.206 0.207 1
1 429 . 14 1 1 A 34 34 ARG HA H 34 4.009 4.099 -0.090 1
1 436 . 14 1 1 A 34 34 ARG C C 34 178.614 179.407 -0.793 1
1 437 . 14 1 1 A 34 34 ARG CA C 34 59.839 59.477 0.362 1
1 438 . 14 1 1 A 34 34 ARG CB C 34 29.772 29.710 0.062 1
1 441 . 14 1 1 A 34 34 ARG N N 34 119.206 119.045 0.161 1
1 442 . 14 1 1 A 35 35 GLN H H 35 7.850 8.121 -0.271 1
1 443 . 14 1 1 A 35 35 GLN HA H 35 4.085 4.170 -0.085 1
1 450 . 14 1 1 A 35 35 GLN C C 35 178.621 178.812 -0.191 1
1 451 . 14 1 1 A 35 35 GLN CA C 35 58.771 58.817 -0.046 1
1 452 . 14 1 1 A 35 35 GLN CB C 35 28.331 28.041 0.290 1
1 455 . 14 1 1 A 35 35 GLN N N 35 117.434 119.429 -1.995 1
1 457 . 14 1 1 A 36 36 GLU H H 36 7.939 7.632 0.307 1
1 458 . 14 1 1 A 36 36 GLU HA H 36 4.015 4.010 0.005 1
1 463 . 14 1 1 A 36 36 GLU C C 36 178.975 178.930 0.045 1
1 464 . 14 1 1 A 36 36 GLU CA C 36 59.271 59.110 0.161 1
1 465 . 14 1 1 A 36 36 GLU CB C 36 29.750 29.410 0.340 1
1 467 . 14 1 1 A 36 36 GLU N N 36 119.554 120.874 -1.320 1
1 468 . 14 1 1 A 37 37 TYR H H 37 8.578 8.530 0.048 1
1 469 . 14 1 1 A 37 37 TYR HA H 37 4.164 4.155 0.009 1
1 476 . 14 1 1 A 37 37 TYR C C 37 177.550 177.039 0.511 1
1 477 . 14 1 1 A 37 37 TYR CA C 37 60.590 61.177 -0.587 1
1 478 . 14 1 1 A 37 37 TYR CB C 37 38.709 38.836 -0.127 1
1 483 . 14 1 1 A 37 37 TYR N N 37 120.782 122.396 -1.614 1
1 484 . 14 1 1 A 38 38 LEU H H 38 8.229 8.119 0.110 1
1 485 . 14 1 1 A 38 38 LEU HA H 38 4.072 4.416 -0.344 1
1 495 . 14 1 1 A 38 38 LEU C C 38 178.983 176.622 2.361 1
1 496 . 14 1 1 A 38 38 LEU CA C 38 57.053 57.543 -0.490 1
1 497 . 14 1 1 A 38 38 LEU CB C 38 42.020 42.143 -0.123 1
1 501 . 14 1 1 A 38 38 LEU N N 38 119.275 119.193 0.082 1
1 502 . 14 1 1 A 39 39 LYS H H 39 7.790 8.240 -0.450 1
1 503 . 14 1 1 A 39 39 LYS HA H 39 4.152 3.843 0.309 1
1 512 . 14 1 1 A 39 39 LYS C C 39 178.123 176.598 1.525 1
1 513 . 14 1 1 A 39 39 LYS CA C 39 58.197 57.310 0.887 1
1 514 . 14 1 1 A 39 39 LYS CB C 39 32.466 31.008 1.458 1
1 518 . 14 1 1 A 39 39 LYS N N 39 118.917 116.577 2.340 1
1 519 . 14 1 1 A 40 40 GLY H H 40 7.885 8.249 -0.364 1
1 520 . 14 1 1 A 40 40 GLY HA2 H 40 3.970 3.782 0.188 1
1 521 . 14 1 1 A 40 40 GLY HA3 H 40 3.768 3.903 -0.135 1
1 522 . 14 1 1 A 40 40 GLY C C 40 174.349 174.996 -0.647 1
1 523 . 14 1 1 A 40 40 GLY CA C 40 45.758 45.067 0.691 1
1 524 . 14 1 1 A 40 40 GLY N N 40 106.796 104.881 1.915 1
1 525 . 14 1 1 A 41 41 PHE H H 41 7.859 7.559 0.300 1
1 526 . 14 1 1 A 41 41 PHE HA H 41 4.455 4.553 -0.098 1
1 534 . 14 1 1 A 41 41 PHE C C 41 176.028 175.719 0.309 1
1 535 . 14 1 1 A 41 41 PHE CA C 41 58.735 58.349 0.386 1
1 536 . 14 1 1 A 41 41 PHE CB C 41 39.408 39.308 0.100 1
1 542 . 14 1 1 A 41 41 PHE N N 41 120.317 119.384 0.933 1
1 543 . 14 1 1 A 42 42 ARG H H 42 8.044 8.634 -0.590 1
1 544 . 14 1 1 A 42 42 ARG HA H 42 4.269 4.781 -0.512 1
1 551 . 14 1 1 A 42 42 ARG C C 42 176.487 176.135 0.352 1
1 552 . 14 1 1 A 42 42 ARG CA C 42 56.505 55.392 1.113 1
1 553 . 14 1 1 A 42 42 ARG CB C 42 30.801 31.733 -0.932 1
1 556 . 14 1 1 A 42 42 ARG N N 42 121.581 122.408 -0.827 1
1 557 . 14 1 1 A 43 43 SER H H 43 8.218 8.779 -0.561 1
1 558 . 14 1 1 A 43 43 SER HA H 43 4.389 4.695 -0.306 1
1 561 . 14 1 1 A 43 43 SER C C 43 174.872 174.198 0.674 1
1 562 . 14 1 1 A 43 43 SER CA C 43 58.809 57.472 1.337 1
1 563 . 14 1 1 A 43 43 SER CB C 43 63.615 62.450 1.165 1
1 564 . 14 1 1 A 43 43 SER N N 43 116.338 118.616 -2.278 1
1 565 . 14 1 1 A 44 44 SER H H 44 8.247 7.990 0.257 1
1 566 . 14 1 1 A 44 44 SER HA H 44 4.441 5.074 -0.633 1
1 569 . 14 1 1 A 44 44 SER C C 44 174.653 173.951 0.702 1
1 570 . 14 1 1 A 44 44 SER CA C 44 58.697 57.174 1.523 1
1 571 . 14 1 1 A 44 44 SER CB C 44 63.743 64.134 -0.391 1
1 572 . 14 1 1 A 44 44 SER N N 44 117.375 116.315 1.060 1
1 573 . 14 1 1 A 45 45 MET H H 45 8.194 8.744 -0.550 1
1 574 . 14 1 1 A 45 45 MET HA H 45 4.417 4.703 -0.286 1
1 579 . 14 1 1 A 45 45 MET C C 45 176.033 176.124 -0.091 1
1 580 . 14 1 1 A 45 45 MET CA C 45 55.795 54.198 1.597 1
1 581 . 14 1 1 A 45 45 MET CB C 45 32.840 33.422 -0.582 1
1 583 . 14 1 1 A 45 45 MET N N 45 122.021 125.302 -3.281 1
1 584 . 14 1 1 A 46 46 LYS H H 46 8.220 8.677 -0.457 1
1 585 . 14 1 1 A 46 46 LYS HA H 46 4.276 4.331 -0.055 1
1 594 . 14 1 1 A 46 46 LYS C C 46 176.299 176.385 -0.086 1
1 595 . 14 1 1 A 46 46 LYS CA C 46 56.399 57.029 -0.630 1
1 596 . 14 1 1 A 46 46 LYS CB C 46 32.834 32.533 0.301 1
1 600 . 14 1 1 A 46 46 LYS N N 46 122.277 120.768 1.509 1
1 601 . 14 1 1 A 47 47 LEU H H 47 8.210 7.269 0.941 1
1 602 . 14 1 1 A 47 47 LEU HA H 47 4.299 4.405 -0.106 1
1 612 . 14 1 1 A 47 47 LEU C C 47 177.189 177.091 0.098 1
1 613 . 14 1 1 A 47 47 LEU CA C 47 55.134 54.727 0.407 1
1 614 . 14 1 1 A 47 47 LEU CB C 47 42.301 43.287 -0.986 1
1 618 . 14 1 1 A 47 47 LEU N N 47 123.549 123.150 0.399 1
1 9 . 15 1 1 A 2 2 ILE HA H 2 4.350 4.657 -0.307 1
1 19 . 15 1 1 A 2 2 ILE C C 2 174.508 175.354 -0.846 1
1 20 . 15 1 1 A 2 2 ILE CA C 2 61.095 60.582 0.513 1
1 21 . 15 1 1 A 2 2 ILE CB C 2 39.193 39.731 -0.538 1
1 25 . 15 1 1 A 3 3 SER H H 3 8.112 8.470 -0.358 1
1 26 . 15 1 1 A 3 3 SER HA H 3 4.414 5.005 -0.591 1
1 29 . 15 1 1 A 3 3 SER C C 3 174.652 176.036 -1.384 1
1 30 . 15 1 1 A 3 3 SER CA C 3 57.714 55.720 1.994 1
1 31 . 15 1 1 A 3 3 SER CB C 3 64.725 66.660 -1.935 1
1 32 . 15 1 1 A 3 3 SER N N 3 119.280 120.017 -0.737 1
1 33 . 15 1 1 A 4 4 ASN H H 4 8.832 9.105 -0.273 1
1 34 . 15 1 1 A 4 4 ASN HA H 4 4.511 4.422 0.089 1
1 39 . 15 1 1 A 4 4 ASN C C 4 177.606 177.579 0.027 1
1 40 . 15 1 1 A 4 4 ASN CA C 4 55.617 56.918 -1.301 1
1 41 . 15 1 1 A 4 4 ASN CB C 4 37.972 37.890 0.082 1
1 43 . 15 1 1 A 4 4 ASN N N 4 120.760 120.033 0.727 1
1 45 . 15 1 1 A 5 5 ALA H H 5 8.504 8.098 0.406 1
1 46 . 15 1 1 A 5 5 ALA HA H 5 4.191 4.089 0.102 1
1 50 . 15 1 1 A 5 5 ALA C C 5 180.504 179.603 0.901 1
1 51 . 15 1 1 A 5 5 ALA CA C 5 54.896 55.156 -0.260 1
1 52 . 15 1 1 A 5 5 ALA CB C 5 18.468 18.610 -0.142 1
1 53 . 15 1 1 A 5 5 ALA N N 5 123.401 122.825 0.576 1
1 54 . 15 1 1 A 6 6 LYS H H 6 7.844 8.078 -0.234 1
1 55 . 15 1 1 A 6 6 LYS HA H 6 4.119 4.111 0.008 1
1 64 . 15 1 1 A 6 6 LYS C C 6 178.320 179.493 -1.173 1
1 65 . 15 1 1 A 6 6 LYS CA C 6 59.550 59.203 0.347 1
1 66 . 15 1 1 A 6 6 LYS CB C 6 32.639 32.100 0.539 1
1 70 . 15 1 1 A 6 6 LYS N N 6 119.908 117.626 2.282 1
1 71 . 15 1 1 A 7 7 ILE H H 7 7.887 8.153 -0.266 1
1 72 . 15 1 1 A 7 7 ILE HA H 7 3.615 3.651 -0.036 1
1 82 . 15 1 1 A 7 7 ILE C C 7 177.784 177.523 0.261 1
1 83 . 15 1 1 A 7 7 ILE CA C 7 64.351 65.566 -1.215 1
1 84 . 15 1 1 A 7 7 ILE CB C 7 37.623 37.957 -0.334 1
1 88 . 15 1 1 A 7 7 ILE N N 7 120.487 120.906 -0.419 1
1 89 . 15 1 1 A 8 8 ALA H H 8 8.062 8.282 -0.220 1
1 90 . 15 1 1 A 8 8 ALA HA H 8 4.160 3.902 0.258 1
1 94 . 15 1 1 A 8 8 ALA C C 8 180.625 179.062 1.563 1
1 95 . 15 1 1 A 8 8 ALA CA C 8 55.102 55.246 -0.144 1
1 96 . 15 1 1 A 8 8 ALA CB C 8 17.517 18.129 -0.612 1
1 97 . 15 1 1 A 8 8 ALA N N 8 121.576 121.870 -0.294 1
1 98 . 15 1 1 A 9 9 ARG H H 9 7.769 7.849 -0.080 1
1 99 . 15 1 1 A 9 9 ARG HA H 9 4.226 4.092 0.134 1
1 107 . 15 1 1 A 9 9 ARG C C 9 178.076 178.891 -0.815 1
1 108 . 15 1 1 A 9 9 ARG CA C 9 57.517 58.768 -1.251 1
1 109 . 15 1 1 A 9 9 ARG CB C 9 29.638 29.909 -0.271 1
1 112 . 15 1 1 A 9 9 ARG N N 9 120.694 118.545 2.149 1
1 114 . 15 1 1 A 10 10 ILE H H 10 8.462 8.212 0.250 1
1 115 . 15 1 1 A 10 10 ILE HA H 10 3.576 3.495 0.081 1
1 125 . 15 1 1 A 10 10 ILE C C 10 179.221 177.875 1.346 1
1 126 . 15 1 1 A 10 10 ILE CA C 10 66.414 65.609 0.805 1
1 127 . 15 1 1 A 10 10 ILE CB C 10 37.872 37.947 -0.075 1
1 131 . 15 1 1 A 10 10 ILE N N 10 121.475 119.696 1.779 1
1 132 . 15 1 1 A 11 11 ASN H H 11 8.161 8.225 -0.064 1
1 133 . 15 1 1 A 11 11 ASN HA H 11 4.485 4.381 0.104 1
1 138 . 15 1 1 A 11 11 ASN C C 11 178.124 177.963 0.161 1
1 139 . 15 1 1 A 11 11 ASN CA C 11 55.961 56.556 -0.595 1
1 140 . 15 1 1 A 11 11 ASN CB C 11 37.642 37.675 -0.033 1
1 142 . 15 1 1 A 11 11 ASN N N 11 119.357 118.183 1.174 1
1 144 . 15 1 1 A 12 12 GLU H H 12 8.528 8.306 0.222 1
1 145 . 15 1 1 A 12 12 GLU HA H 12 4.111 4.007 0.104 1
1 150 . 15 1 1 A 12 12 GLU C C 12 179.650 179.612 0.038 1
1 151 . 15 1 1 A 12 12 GLU CA C 12 59.252 59.118 0.134 1
1 152 . 15 1 1 A 12 12 GLU CB C 12 30.026 29.382 0.644 1
1 154 . 15 1 1 A 12 12 GLU N N 12 124.689 119.956 4.733 1
1 155 . 15 1 1 A 13 13 LEU H H 13 8.669 8.414 0.255 1
1 156 . 15 1 1 A 13 13 LEU HA H 13 3.948 4.068 -0.120 1
1 166 . 15 1 1 A 13 13 LEU C C 13 178.491 179.543 -1.052 1
1 167 . 15 1 1 A 13 13 LEU CA C 13 57.835 57.488 0.347 1
1 168 . 15 1 1 A 13 13 LEU CB C 13 41.160 40.900 0.260 1
1 172 . 15 1 1 A 13 13 LEU N N 13 119.467 119.996 -0.529 1
1 173 . 15 1 1 A 14 14 ALA H H 14 8.326 8.220 0.106 1
1 174 . 15 1 1 A 14 14 ALA HA H 14 4.076 3.997 0.079 1
1 178 . 15 1 1 A 14 14 ALA C C 14 180.903 179.670 1.233 1
1 179 . 15 1 1 A 14 14 ALA CA C 14 55.100 55.082 0.018 1
1 180 . 15 1 1 A 14 14 ALA CB C 14 17.838 17.884 -0.046 1
1 181 . 15 1 1 A 14 14 ALA N N 14 122.290 122.517 -0.227 1
1 182 . 15 1 1 A 15 15 ALA H H 15 7.794 7.991 -0.197 1
1 183 . 15 1 1 A 15 15 ALA HA H 15 4.176 4.021 0.155 1
1 187 . 15 1 1 A 15 15 ALA C C 15 181.255 179.811 1.444 1
1 188 . 15 1 1 A 15 15 ALA CA C 15 55.196 55.229 -0.033 1
1 189 . 15 1 1 A 15 15 ALA CB C 15 17.568 18.025 -0.457 1
1 190 . 15 1 1 A 15 15 ALA N N 15 121.829 120.994 0.835 1
1 191 . 15 1 1 A 16 16 LYS H H 16 7.977 8.258 -0.281 1
1 192 . 15 1 1 A 16 16 LYS HA H 16 4.026 3.963 0.063 1
1 201 . 15 1 1 A 16 16 LYS C C 16 179.086 178.893 0.193 1
1 202 . 15 1 1 A 16 16 LYS CA C 16 59.878 59.089 0.789 1
1 203 . 15 1 1 A 16 16 LYS CB C 16 32.727 32.066 0.661 1
1 207 . 15 1 1 A 16 16 LYS N N 16 120.084 116.541 3.543 1
1 208 . 15 1 1 A 17 17 ALA H H 17 8.527 8.333 0.194 1
1 209 . 15 1 1 A 17 17 ALA HA H 17 4.026 4.096 -0.070 1
1 213 . 15 1 1 A 17 17 ALA C C 17 181.147 178.877 2.270 1
1 214 . 15 1 1 A 17 17 ALA CA C 17 54.993 55.379 -0.386 1
1 215 . 15 1 1 A 17 17 ALA CB C 17 17.858 18.688 -0.830 1
1 216 . 15 1 1 A 17 17 ALA N N 17 123.164 122.637 0.527 1
1 217 . 15 1 1 A 18 18 LYS H H 18 8.125 8.060 0.065 1
1 218 . 15 1 1 A 18 18 LYS HA H 18 4.053 4.009 0.044 1
1 227 . 15 1 1 A 18 18 LYS C C 18 177.994 178.091 -0.097 1
1 228 . 15 1 1 A 18 18 LYS CA C 18 58.961 58.970 -0.009 1
1 229 . 15 1 1 A 18 18 LYS CB C 18 32.400 32.160 0.240 1
1 233 . 15 1 1 A 18 18 LYS N N 18 120.927 118.237 2.690 1
1 234 . 15 1 1 A 19 19 ALA H H 19 7.659 7.538 0.121 1
1 235 . 15 1 1 A 19 19 ALA HA H 19 4.355 4.366 -0.011 1
1 239 . 15 1 1 A 19 19 ALA C C 19 177.769 177.940 -0.171 1
1 240 . 15 1 1 A 19 19 ALA CA C 19 52.453 52.013 0.440 1
1 241 . 15 1 1 A 19 19 ALA CB C 19 19.483 19.680 -0.197 1
1 242 . 15 1 1 A 19 19 ALA N N 19 118.300 118.841 -0.541 1
1 243 . 15 1 1 A 20 20 GLY H H 20 7.758 7.736 0.022 1
1 244 . 15 1 1 A 20 20 GLY HA2 H 20 4.180 3.922 0.258 1
1 245 . 15 1 1 A 20 20 GLY HA3 H 20 3.947 3.923 0.024 1
1 246 . 15 1 1 A 20 20 GLY C C 20 175.031 175.006 0.025 1
1 247 . 15 1 1 A 20 20 GLY CA C 20 45.907 45.815 0.092 1
1 248 . 15 1 1 A 20 20 GLY N N 20 105.949 106.323 -0.374 1
1 249 . 15 1 1 A 21 21 VAL H H 21 7.678 7.749 -0.071 1
1 250 . 15 1 1 A 21 21 VAL HA H 21 4.608 4.176 0.432 1
1 258 . 15 1 1 A 21 21 VAL C C 21 175.837 175.455 0.382 1
1 259 . 15 1 1 A 21 21 VAL CA C 21 60.158 62.328 -2.170 1
1 260 . 15 1 1 A 21 21 VAL CB C 21 32.525 32.100 0.425 1
1 263 . 15 1 1 A 21 21 VAL N N 21 109.739 117.588 -7.849 1
1 264 . 15 1 1 A 22 22 ILE H H 22 6.842 7.429 -0.587 1
1 265 . 15 1 1 A 22 22 ILE HA H 22 4.347 4.174 0.173 1
1 275 . 15 1 1 A 22 22 ILE C C 22 174.145 175.353 -1.208 1
1 276 . 15 1 1 A 22 22 ILE CA C 22 61.285 61.426 -0.141 1
1 277 . 15 1 1 A 22 22 ILE CB C 22 40.142 39.157 0.985 1
1 281 . 15 1 1 A 22 22 ILE N N 22 124.020 124.683 -0.663 1
1 282 . 15 1 1 A 23 23 THR H H 23 9.104 8.563 0.541 1
1 283 . 15 1 1 A 23 23 THR HA H 23 4.597 4.693 -0.096 1
1 288 . 15 1 1 A 23 23 THR C C 23 175.820 175.964 -0.144 1
1 289 . 15 1 1 A 23 23 THR CA C 23 61.139 60.615 0.524 1
1 290 . 15 1 1 A 23 23 THR CB C 23 71.396 71.365 0.031 1
1 292 . 15 1 1 A 23 23 THR N N 23 120.184 117.822 2.362 1
1 293 . 15 1 1 A 24 24 GLU H H 24 9.011 9.044 -0.033 1
1 294 . 15 1 1 A 24 24 GLU HA H 24 3.965 4.021 -0.056 1
1 299 . 15 1 1 A 24 24 GLU C C 24 180.012 178.962 1.050 1
1 300 . 15 1 1 A 24 24 GLU CA C 24 60.049 59.914 0.135 1
1 301 . 15 1 1 A 24 24 GLU CB C 24 29.095 29.234 -0.139 1
1 303 . 15 1 1 A 24 24 GLU N N 24 120.289 121.520 -1.231 1
1 304 . 15 1 1 A 25 25 GLU H H 25 8.917 8.171 0.746 1
1 305 . 15 1 1 A 25 25 GLU HA H 25 4.116 4.086 0.030 1
1 310 . 15 1 1 A 25 25 GLU C C 25 180.164 179.023 1.141 1
1 311 . 15 1 1 A 25 25 GLU CA C 25 60.042 59.292 0.750 1
1 312 . 15 1 1 A 25 25 GLU CB C 25 29.131 29.220 -0.089 1
1 314 . 15 1 1 A 25 25 GLU N N 25 120.676 120.189 0.487 1
1 315 . 15 1 1 A 26 26 GLU H H 26 7.837 8.246 -0.409 1
1 316 . 15 1 1 A 26 26 GLU HA H 26 4.074 4.066 0.008 1
1 321 . 15 1 1 A 26 26 GLU C C 26 179.093 179.080 0.013 1
1 322 . 15 1 1 A 26 26 GLU CA C 26 58.684 59.059 -0.375 1
1 323 . 15 1 1 A 26 26 GLU CB C 26 30.606 29.251 1.355 1
1 325 . 15 1 1 A 26 26 GLU N N 26 121.997 119.597 2.400 1
1 326 . 15 1 1 A 27 27 LYS H H 27 8.659 8.274 0.385 1
1 327 . 15 1 1 A 27 27 LYS HA H 27 3.964 4.023 -0.059 1
1 336 . 15 1 1 A 27 27 LYS C C 27 179.776 179.066 0.710 1
1 337 . 15 1 1 A 27 27 LYS CA C 27 60.129 59.413 0.716 1
1 338 . 15 1 1 A 27 27 LYS CB C 27 32.537 32.351 0.186 1
1 342 . 15 1 1 A 27 27 LYS N N 27 121.367 119.993 1.374 1
1 343 . 15 1 1 A 28 28 ALA H H 28 7.648 8.149 -0.501 1
1 344 . 15 1 1 A 28 28 ALA HA H 28 4.216 4.075 0.141 1
1 348 . 15 1 1 A 28 28 ALA C C 28 180.525 178.885 1.640 1
1 349 . 15 1 1 A 28 28 ALA CA C 28 55.014 55.076 -0.062 1
1 350 . 15 1 1 A 28 28 ALA CB C 28 17.610 18.446 -0.836 1
1 351 . 15 1 1 A 28 28 ALA N N 28 122.685 122.016 0.669 1
1 352 . 15 1 1 A 29 29 GLU H H 29 7.915 8.416 -0.501 1
1 353 . 15 1 1 A 29 29 GLU HA H 29 3.971 4.012 -0.041 1
1 358 . 15 1 1 A 29 29 GLU C C 29 178.193 178.516 -0.323 1
1 359 . 15 1 1 A 29 29 GLU CA C 29 59.269 59.824 -0.555 1
1 360 . 15 1 1 A 29 29 GLU CB C 29 29.467 28.953 0.514 1
1 362 . 15 1 1 A 29 29 GLU N N 29 122.691 117.956 4.735 1
1 363 . 15 1 1 A 30 30 GLN H H 30 8.891 8.222 0.669 1
1 364 . 15 1 1 A 30 30 GLN HA H 30 3.805 3.982 -0.177 1
1 371 . 15 1 1 A 30 30 GLN C C 30 177.828 178.521 -0.693 1
1 372 . 15 1 1 A 30 30 GLN CA C 30 59.703 59.020 0.683 1
1 373 . 15 1 1 A 30 30 GLN CB C 30 29.404 28.157 1.247 1
1 376 . 15 1 1 A 30 30 GLN N N 30 119.325 119.130 0.195 1
1 378 . 15 1 1 A 31 31 GLN H H 31 7.874 7.877 -0.003 1
1 379 . 15 1 1 A 31 31 GLN HA H 31 4.085 3.971 0.114 1
1 386 . 15 1 1 A 31 31 GLN C C 31 178.371 178.355 0.016 1
1 387 . 15 1 1 A 31 31 GLN CA C 31 58.842 59.052 -0.210 1
1 388 . 15 1 1 A 31 31 GLN CB C 31 28.283 28.192 0.091 1
1 391 . 15 1 1 A 31 31 GLN N N 31 118.010 119.330 -1.320 1
1 393 . 15 1 1 A 32 32 LYS H H 32 7.739 7.922 -0.183 1
1 394 . 15 1 1 A 32 32 LYS HA H 32 4.096 4.058 0.038 1
1 403 . 15 1 1 A 32 32 LYS C C 32 179.952 179.158 0.794 1
1 404 . 15 1 1 A 32 32 LYS CA C 32 59.708 59.502 0.206 1
1 405 . 15 1 1 A 32 32 LYS CB C 32 32.403 32.116 0.287 1
1 409 . 15 1 1 A 32 32 LYS N N 32 120.842 120.446 0.396 1
1 410 . 15 1 1 A 33 33 LEU H H 33 8.617 8.615 0.002 1
1 411 . 15 1 1 A 33 33 LEU HA H 33 4.153 3.993 0.160 1
1 421 . 15 1 1 A 33 33 LEU C C 33 179.446 179.471 -0.025 1
1 422 . 15 1 1 A 33 33 LEU CA C 33 57.774 57.655 0.119 1
1 423 . 15 1 1 A 33 33 LEU CB C 33 42.585 40.611 1.974 1
1 427 . 15 1 1 A 33 33 LEU N N 33 120.088 119.240 0.848 1
1 428 . 15 1 1 A 34 34 ARG H H 34 8.413 8.225 0.188 1
1 429 . 15 1 1 A 34 34 ARG HA H 34 4.009 4.008 0.001 1
1 436 . 15 1 1 A 34 34 ARG C C 34 178.614 178.904 -0.290 1
1 437 . 15 1 1 A 34 34 ARG CA C 34 59.839 59.556 0.283 1
1 438 . 15 1 1 A 34 34 ARG CB C 34 29.772 29.773 -0.001 1
1 441 . 15 1 1 A 34 34 ARG N N 34 119.206 119.597 -0.391 1
1 442 . 15 1 1 A 35 35 GLN H H 35 7.850 7.781 0.069 1
1 443 . 15 1 1 A 35 35 GLN HA H 35 4.085 4.156 -0.071 1
1 450 . 15 1 1 A 35 35 GLN C C 35 178.621 178.919 -0.298 1
1 451 . 15 1 1 A 35 35 GLN CA C 35 58.771 58.894 -0.123 1
1 452 . 15 1 1 A 35 35 GLN CB C 35 28.331 28.578 -0.247 1
1 455 . 15 1 1 A 35 35 GLN N N 35 117.434 118.768 -1.334 1
1 457 . 15 1 1 A 36 36 GLU H H 36 7.939 8.000 -0.061 1
1 458 . 15 1 1 A 36 36 GLU HA H 36 4.015 4.104 -0.089 1
1 463 . 15 1 1 A 36 36 GLU C C 36 178.975 178.720 0.255 1
1 464 . 15 1 1 A 36 36 GLU CA C 36 59.271 59.056 0.215 1
1 465 . 15 1 1 A 36 36 GLU CB C 36 29.750 29.459 0.291 1
1 467 . 15 1 1 A 36 36 GLU N N 36 119.554 120.787 -1.233 1
1 468 . 15 1 1 A 37 37 TYR H H 37 8.578 8.496 0.082 1
1 469 . 15 1 1 A 37 37 TYR HA H 37 4.164 4.094 0.070 1
1 476 . 15 1 1 A 37 37 TYR C C 37 177.550 177.085 0.465 1
1 477 . 15 1 1 A 37 37 TYR CA C 37 60.590 61.564 -0.974 1
1 478 . 15 1 1 A 37 37 TYR CB C 37 38.709 38.968 -0.259 1
1 483 . 15 1 1 A 37 37 TYR N N 37 120.782 122.776 -1.994 1
1 484 . 15 1 1 A 38 38 LEU H H 38 8.229 7.966 0.263 1
1 485 . 15 1 1 A 38 38 LEU HA H 38 4.072 4.087 -0.015 1
1 495 . 15 1 1 A 38 38 LEU C C 38 178.983 177.680 1.303 1
1 496 . 15 1 1 A 38 38 LEU CA C 38 57.053 57.550 -0.497 1
1 497 . 15 1 1 A 38 38 LEU CB C 38 42.020 41.997 0.023 1
1 501 . 15 1 1 A 38 38 LEU N N 38 119.275 120.160 -0.885 1
1 502 . 15 1 1 A 39 39 LYS H H 39 7.790 7.320 0.470 1
1 503 . 15 1 1 A 39 39 LYS HA H 39 4.152 4.133 0.019 1
1 512 . 15 1 1 A 39 39 LYS C C 39 178.123 177.382 0.741 1
1 513 . 15 1 1 A 39 39 LYS CA C 39 58.197 58.171 0.026 1
1 514 . 15 1 1 A 39 39 LYS CB C 39 32.466 31.843 0.623 1
1 518 . 15 1 1 A 39 39 LYS N N 39 118.917 119.523 -0.606 1
1 519 . 15 1 1 A 40 40 GLY H H 40 7.885 8.502 -0.617 1
1 520 . 15 1 1 A 40 40 GLY HA2 H 40 3.970 3.950 0.020 1
1 521 . 15 1 1 A 40 40 GLY HA3 H 40 3.768 3.952 -0.184 1
1 522 . 15 1 1 A 40 40 GLY C C 40 174.349 173.982 0.367 1
1 523 . 15 1 1 A 40 40 GLY CA C 40 45.758 45.066 0.692 1
1 524 . 15 1 1 A 40 40 GLY N N 40 106.796 112.740 -5.944 1
1 525 . 15 1 1 A 41 41 PHE H H 41 7.859 7.848 0.011 1
1 526 . 15 1 1 A 41 41 PHE HA H 41 4.455 4.558 -0.103 1
1 534 . 15 1 1 A 41 41 PHE C C 41 176.028 176.564 -0.536 1
1 535 . 15 1 1 A 41 41 PHE CA C 41 58.735 57.375 1.360 1
1 536 . 15 1 1 A 41 41 PHE CB C 41 39.408 40.784 -1.376 1
1 542 . 15 1 1 A 41 41 PHE N N 41 120.317 121.139 -0.822 1
1 543 . 15 1 1 A 42 42 ARG H H 42 8.044 7.886 0.158 1
1 544 . 15 1 1 A 42 42 ARG HA H 42 4.269 3.823 0.446 1
1 551 . 15 1 1 A 42 42 ARG C C 42 176.487 175.941 0.546 1
1 552 . 15 1 1 A 42 42 ARG CA C 42 56.505 57.681 -1.176 1
1 553 . 15 1 1 A 42 42 ARG CB C 42 30.801 29.166 1.635 1
1 556 . 15 1 1 A 42 42 ARG N N 42 121.581 122.791 -1.210 1
1 557 . 15 1 1 A 43 43 SER H H 43 8.218 7.655 0.563 1
1 558 . 15 1 1 A 43 43 SER HA H 43 4.389 4.431 -0.042 1
1 561 . 15 1 1 A 43 43 SER C C 43 174.872 173.588 1.284 1
1 562 . 15 1 1 A 43 43 SER CA C 43 58.809 57.959 0.850 1
1 563 . 15 1 1 A 43 43 SER CB C 43 63.615 63.791 -0.176 1
1 564 . 15 1 1 A 43 43 SER N N 43 116.338 116.844 -0.506 1
1 565 . 15 1 1 A 44 44 SER H H 44 8.247 8.835 -0.588 1
1 566 . 15 1 1 A 44 44 SER HA H 44 4.441 4.574 -0.133 1
1 569 . 15 1 1 A 44 44 SER C C 44 174.653 174.191 0.462 1
1 570 . 15 1 1 A 44 44 SER CA C 44 58.697 57.788 0.909 1
1 571 . 15 1 1 A 44 44 SER CB C 44 63.743 62.196 1.547 1
1 572 . 15 1 1 A 44 44 SER N N 44 117.375 122.923 -5.548 1
1 573 . 15 1 1 A 45 45 MET H H 45 8.194 8.180 0.014 1
1 574 . 15 1 1 A 45 45 MET HA H 45 4.417 4.553 -0.136 1
1 579 . 15 1 1 A 45 45 MET C C 45 176.033 176.542 -0.509 1
1 580 . 15 1 1 A 45 45 MET CA C 45 55.795 57.960 -2.165 1
1 581 . 15 1 1 A 45 45 MET CB C 45 32.840 34.043 -1.203 1
1 583 . 15 1 1 A 45 45 MET N N 45 122.021 126.030 -4.009 1
1 584 . 15 1 1 A 46 46 LYS H H 46 8.220 7.678 0.542 1
1 585 . 15 1 1 A 46 46 LYS HA H 46 4.276 4.442 -0.166 1
1 594 . 15 1 1 A 46 46 LYS C C 46 176.299 174.585 1.714 1
1 595 . 15 1 1 A 46 46 LYS CA C 46 56.399 55.149 1.250 1
1 596 . 15 1 1 A 46 46 LYS CB C 46 32.834 32.374 0.460 1
1 600 . 15 1 1 A 46 46 LYS N N 46 122.277 119.718 2.559 1
1 601 . 15 1 1 A 47 47 LEU H H 47 8.210 8.664 -0.454 1
1 602 . 15 1 1 A 47 47 LEU HA H 47 4.299 4.537 -0.238 1
1 612 . 15 1 1 A 47 47 LEU C C 47 177.189 176.406 0.783 1
1 613 . 15 1 1 A 47 47 LEU CA C 47 55.134 54.685 0.449 1
1 614 . 15 1 1 A 47 47 LEU CB C 47 42.301 41.136 1.165 1
1 618 . 15 1 1 A 47 47 LEU N N 47 123.549 127.606 -4.057 1
1 9 . 16 1 1 A 2 2 ILE HA H 2 4.350 4.698 -0.348 1
1 19 . 16 1 1 A 2 2 ILE C C 2 174.508 175.104 -0.596 1
1 20 . 16 1 1 A 2 2 ILE CA C 2 61.095 60.301 0.794 1
1 21 . 16 1 1 A 2 2 ILE CB C 2 39.193 39.749 -0.556 1
1 25 . 16 1 1 A 3 3 SER H H 3 8.112 8.362 -0.250 1
1 26 . 16 1 1 A 3 3 SER HA H 3 4.414 5.000 -0.586 1
1 29 . 16 1 1 A 3 3 SER C C 3 174.652 175.237 -0.585 1
1 30 . 16 1 1 A 3 3 SER CA C 3 57.714 55.718 1.996 1
1 31 . 16 1 1 A 3 3 SER CB C 3 64.725 66.755 -2.030 1
1 32 . 16 1 1 A 3 3 SER N N 3 119.280 121.116 -1.836 1
1 33 . 16 1 1 A 4 4 ASN H H 4 8.832 8.802 0.030 1
1 34 . 16 1 1 A 4 4 ASN HA H 4 4.511 4.386 0.125 1
1 39 . 16 1 1 A 4 4 ASN C C 4 177.606 176.927 0.679 1
1 40 . 16 1 1 A 4 4 ASN CA C 4 55.617 56.574 -0.957 1
1 41 . 16 1 1 A 4 4 ASN CB C 4 37.972 38.460 -0.488 1
1 43 . 16 1 1 A 4 4 ASN N N 4 120.760 119.827 0.933 1
1 45 . 16 1 1 A 5 5 ALA H H 5 8.504 8.244 0.260 1
1 46 . 16 1 1 A 5 5 ALA HA H 5 4.191 4.087 0.104 1
1 50 . 16 1 1 A 5 5 ALA C C 5 180.504 179.712 0.792 1
1 51 . 16 1 1 A 5 5 ALA CA C 5 54.896 55.259 -0.363 1
1 52 . 16 1 1 A 5 5 ALA CB C 5 18.468 18.701 -0.233 1
1 53 . 16 1 1 A 5 5 ALA N N 5 123.401 121.409 1.992 1
1 54 . 16 1 1 A 6 6 LYS H H 6 7.844 7.577 0.267 1
1 55 . 16 1 1 A 6 6 LYS HA H 6 4.119 4.117 0.002 1
1 64 . 16 1 1 A 6 6 LYS C C 6 178.320 179.742 -1.422 1
1 65 . 16 1 1 A 6 6 LYS CA C 6 59.550 59.426 0.124 1
1 66 . 16 1 1 A 6 6 LYS CB C 6 32.639 32.598 0.041 1
1 70 . 16 1 1 A 6 6 LYS N N 6 119.908 117.876 2.032 1
1 71 . 16 1 1 A 7 7 ILE H H 7 7.887 8.407 -0.520 1
1 72 . 16 1 1 A 7 7 ILE HA H 7 3.615 3.620 -0.005 1
1 82 . 16 1 1 A 7 7 ILE C C 7 177.784 177.603 0.181 1
1 83 . 16 1 1 A 7 7 ILE CA C 7 64.351 65.603 -1.252 1
1 84 . 16 1 1 A 7 7 ILE CB C 7 37.623 38.049 -0.426 1
1 88 . 16 1 1 A 7 7 ILE N N 7 120.487 120.832 -0.345 1
1 89 . 16 1 1 A 8 8 ALA H H 8 8.062 8.662 -0.600 1
1 90 . 16 1 1 A 8 8 ALA HA H 8 4.160 3.857 0.303 1
1 94 . 16 1 1 A 8 8 ALA C C 8 180.625 179.415 1.210 1
1 95 . 16 1 1 A 8 8 ALA CA C 8 55.102 55.177 -0.075 1
1 96 . 16 1 1 A 8 8 ALA CB C 8 17.517 18.181 -0.664 1
1 97 . 16 1 1 A 8 8 ALA N N 8 121.576 121.610 -0.034 1
1 98 . 16 1 1 A 9 9 ARG H H 9 7.769 7.384 0.385 1
1 99 . 16 1 1 A 9 9 ARG HA H 9 4.226 4.125 0.101 1
1 107 . 16 1 1 A 9 9 ARG C C 9 178.076 178.985 -0.909 1
1 108 . 16 1 1 A 9 9 ARG CA C 9 57.517 58.799 -1.282 1
1 109 . 16 1 1 A 9 9 ARG CB C 9 29.638 29.860 -0.222 1
1 112 . 16 1 1 A 9 9 ARG N N 9 120.694 118.446 2.248 1
1 114 . 16 1 1 A 10 10 ILE H H 10 8.462 8.175 0.287 1
1 115 . 16 1 1 A 10 10 ILE HA H 10 3.576 3.546 0.030 1
1 125 . 16 1 1 A 10 10 ILE C C 10 179.221 177.858 1.363 1
1 126 . 16 1 1 A 10 10 ILE CA C 10 66.414 65.567 0.847 1
1 127 . 16 1 1 A 10 10 ILE CB C 10 37.872 37.698 0.174 1
1 131 . 16 1 1 A 10 10 ILE N N 10 121.475 119.743 1.732 1
1 132 . 16 1 1 A 11 11 ASN H H 11 8.161 8.523 -0.362 1
1 133 . 16 1 1 A 11 11 ASN HA H 11 4.485 4.404 0.081 1
1 138 . 16 1 1 A 11 11 ASN C C 11 178.124 178.045 0.079 1
1 139 . 16 1 1 A 11 11 ASN CA C 11 55.961 56.599 -0.638 1
1 140 . 16 1 1 A 11 11 ASN CB C 11 37.642 37.697 -0.055 1
1 142 . 16 1 1 A 11 11 ASN N N 11 119.357 118.196 1.161 1
1 144 . 16 1 1 A 12 12 GLU H H 12 8.528 8.142 0.386 1
1 145 . 16 1 1 A 12 12 GLU HA H 12 4.111 4.036 0.075 1
1 150 . 16 1 1 A 12 12 GLU C C 12 179.650 179.333 0.317 1
1 151 . 16 1 1 A 12 12 GLU CA C 12 59.252 59.214 0.038 1
1 152 . 16 1 1 A 12 12 GLU CB C 12 30.026 29.239 0.787 1
1 154 . 16 1 1 A 12 12 GLU N N 12 124.689 119.844 4.845 1
1 155 . 16 1 1 A 13 13 LEU H H 13 8.669 8.407 0.262 1
1 156 . 16 1 1 A 13 13 LEU HA H 13 3.948 4.052 -0.104 1
1 166 . 16 1 1 A 13 13 LEU C C 13 178.491 179.217 -0.726 1
1 167 . 16 1 1 A 13 13 LEU CA C 13 57.835 57.655 0.180 1
1 168 . 16 1 1 A 13 13 LEU CB C 13 41.160 40.874 0.286 1
1 172 . 16 1 1 A 13 13 LEU N N 13 119.467 120.255 -0.788 1
1 173 . 16 1 1 A 14 14 ALA H H 14 8.326 8.493 -0.167 1
1 174 . 16 1 1 A 14 14 ALA HA H 14 4.076 3.993 0.083 1
1 178 . 16 1 1 A 14 14 ALA C C 14 180.903 179.253 1.650 1
1 179 . 16 1 1 A 14 14 ALA CA C 14 55.100 55.445 -0.345 1
1 180 . 16 1 1 A 14 14 ALA CB C 14 17.838 17.693 0.145 1
1 181 . 16 1 1 A 14 14 ALA N N 14 122.290 122.517 -0.227 1
1 182 . 16 1 1 A 15 15 ALA H H 15 7.794 7.804 -0.010 1
1 183 . 16 1 1 A 15 15 ALA HA H 15 4.176 4.016 0.160 1
1 187 . 16 1 1 A 15 15 ALA C C 15 181.255 180.063 1.192 1
1 188 . 16 1 1 A 15 15 ALA CA C 15 55.196 55.420 -0.224 1
1 189 . 16 1 1 A 15 15 ALA CB C 15 17.568 18.182 -0.614 1
1 190 . 16 1 1 A 15 15 ALA N N 15 121.829 119.811 2.018 1
1 191 . 16 1 1 A 16 16 LYS H H 16 7.977 8.213 -0.236 1
1 192 . 16 1 1 A 16 16 LYS HA H 16 4.026 4.050 -0.024 1
1 201 . 16 1 1 A 16 16 LYS C C 16 179.086 178.799 0.287 1
1 202 . 16 1 1 A 16 16 LYS CA C 16 59.878 59.162 0.716 1
1 203 . 16 1 1 A 16 16 LYS CB C 16 32.727 32.163 0.564 1
1 207 . 16 1 1 A 16 16 LYS N N 16 120.084 116.685 3.399 1
1 208 . 16 1 1 A 17 17 ALA H H 17 8.527 8.220 0.307 1
1 209 . 16 1 1 A 17 17 ALA HA H 17 4.026 4.062 -0.036 1
1 213 . 16 1 1 A 17 17 ALA C C 17 181.147 179.562 1.585 1
1 214 . 16 1 1 A 17 17 ALA CA C 17 54.993 55.123 -0.130 1
1 215 . 16 1 1 A 17 17 ALA CB C 17 17.858 18.135 -0.277 1
1 216 . 16 1 1 A 17 17 ALA N N 17 123.164 122.412 0.752 1
1 217 . 16 1 1 A 18 18 LYS H H 18 8.125 8.048 0.077 1
1 218 . 16 1 1 A 18 18 LYS HA H 18 4.053 4.039 0.014 1
1 227 . 16 1 1 A 18 18 LYS C C 18 177.994 177.769 0.225 1
1 228 . 16 1 1 A 18 18 LYS CA C 18 58.961 58.870 0.091 1
1 229 . 16 1 1 A 18 18 LYS CB C 18 32.400 31.978 0.422 1
1 233 . 16 1 1 A 18 18 LYS N N 18 120.927 117.459 3.468 1
1 234 . 16 1 1 A 19 19 ALA H H 19 7.659 7.649 0.010 1
1 235 . 16 1 1 A 19 19 ALA HA H 19 4.355 4.364 -0.009 1
1 239 . 16 1 1 A 19 19 ALA C C 19 177.769 177.938 -0.169 1
1 240 . 16 1 1 A 19 19 ALA CA C 19 52.453 52.046 0.407 1
1 241 . 16 1 1 A 19 19 ALA CB C 19 19.483 19.676 -0.193 1
1 242 . 16 1 1 A 19 19 ALA N N 19 118.300 118.689 -0.389 1
1 243 . 16 1 1 A 20 20 GLY H H 20 7.758 7.535 0.223 1
1 244 . 16 1 1 A 20 20 GLY HA2 H 20 4.180 3.955 0.225 1
1 245 . 16 1 1 A 20 20 GLY HA3 H 20 3.947 3.957 -0.010 1
1 246 . 16 1 1 A 20 20 GLY C C 20 175.031 174.749 0.282 1
1 247 . 16 1 1 A 20 20 GLY CA C 20 45.907 45.597 0.310 1
1 248 . 16 1 1 A 20 20 GLY N N 20 105.949 106.097 -0.148 1
1 249 . 16 1 1 A 21 21 VAL H H 21 7.678 7.451 0.227 1
1 250 . 16 1 1 A 21 21 VAL HA H 21 4.608 4.151 0.457 1
1 258 . 16 1 1 A 21 21 VAL C C 21 175.837 175.073 0.764 1
1 259 . 16 1 1 A 21 21 VAL CA C 21 60.158 61.908 -1.750 1
1 260 . 16 1 1 A 21 21 VAL CB C 21 32.525 31.579 0.946 1
1 263 . 16 1 1 A 21 21 VAL N N 21 109.739 118.570 -8.831 1
1 264 . 16 1 1 A 22 22 ILE H H 22 6.842 7.409 -0.567 1
1 265 . 16 1 1 A 22 22 ILE HA H 22 4.347 4.750 -0.403 1
1 275 . 16 1 1 A 22 22 ILE C C 22 174.145 175.484 -1.339 1
1 276 . 16 1 1 A 22 22 ILE CA C 22 61.285 59.583 1.702 1
1 277 . 16 1 1 A 22 22 ILE CB C 22 40.142 40.484 -0.342 1
1 281 . 16 1 1 A 22 22 ILE N N 22 124.020 124.394 -0.374 1
1 282 . 16 1 1 A 23 23 THR H H 23 9.104 8.819 0.285 1
1 283 . 16 1 1 A 23 23 THR HA H 23 4.597 4.582 0.015 1
1 288 . 16 1 1 A 23 23 THR C C 23 175.820 176.126 -0.306 1
1 289 . 16 1 1 A 23 23 THR CA C 23 61.139 60.727 0.412 1
1 290 . 16 1 1 A 23 23 THR CB C 23 71.396 71.017 0.379 1
1 292 . 16 1 1 A 23 23 THR N N 23 120.184 117.715 2.469 1
1 293 . 16 1 1 A 24 24 GLU H H 24 9.011 9.062 -0.051 1
1 294 . 16 1 1 A 24 24 GLU HA H 24 3.965 4.022 -0.057 1
1 299 . 16 1 1 A 24 24 GLU C C 24 180.012 178.976 1.036 1
1 300 . 16 1 1 A 24 24 GLU CA C 24 60.049 59.891 0.158 1
1 301 . 16 1 1 A 24 24 GLU CB C 24 29.095 29.198 -0.103 1
1 303 . 16 1 1 A 24 24 GLU N N 24 120.289 121.569 -1.280 1
1 304 . 16 1 1 A 25 25 GLU H H 25 8.917 8.057 0.860 1
1 305 . 16 1 1 A 25 25 GLU HA H 25 4.116 4.081 0.035 1
1 310 . 16 1 1 A 25 25 GLU C C 25 180.164 178.848 1.316 1
1 311 . 16 1 1 A 25 25 GLU CA C 25 60.042 59.151 0.891 1
1 312 . 16 1 1 A 25 25 GLU CB C 25 29.131 29.318 -0.187 1
1 314 . 16 1 1 A 25 25 GLU N N 25 120.676 120.546 0.130 1
1 315 . 16 1 1 A 26 26 GLU H H 26 7.837 8.352 -0.515 1
1 316 . 16 1 1 A 26 26 GLU HA H 26 4.074 4.043 0.031 1
1 321 . 16 1 1 A 26 26 GLU C C 26 179.093 179.406 -0.313 1
1 322 . 16 1 1 A 26 26 GLU CA C 26 58.684 59.066 -0.382 1
1 323 . 16 1 1 A 26 26 GLU CB C 26 30.606 29.135 1.471 1
1 325 . 16 1 1 A 26 26 GLU N N 26 121.997 119.478 2.519 1
1 326 . 16 1 1 A 27 27 LYS H H 27 8.659 8.284 0.375 1
1 327 . 16 1 1 A 27 27 LYS HA H 27 3.964 3.998 -0.034 1
1 336 . 16 1 1 A 27 27 LYS C C 27 179.776 179.022 0.754 1
1 337 . 16 1 1 A 27 27 LYS CA C 27 60.129 59.211 0.918 1
1 338 . 16 1 1 A 27 27 LYS CB C 27 32.537 32.020 0.517 1
1 342 . 16 1 1 A 27 27 LYS N N 27 121.367 119.319 2.048 1
1 343 . 16 1 1 A 28 28 ALA H H 28 7.648 7.834 -0.186 1
1 344 . 16 1 1 A 28 28 ALA HA H 28 4.216 4.119 0.097 1
1 348 . 16 1 1 A 28 28 ALA C C 28 180.525 179.252 1.273 1
1 349 . 16 1 1 A 28 28 ALA CA C 28 55.014 55.102 -0.088 1
1 350 . 16 1 1 A 28 28 ALA CB C 28 17.610 18.224 -0.614 1
1 351 . 16 1 1 A 28 28 ALA N N 28 122.685 122.521 0.164 1
1 352 . 16 1 1 A 29 29 GLU H H 29 7.915 8.368 -0.453 1
1 353 . 16 1 1 A 29 29 GLU HA H 29 3.971 4.029 -0.058 1
1 358 . 16 1 1 A 29 29 GLU C C 29 178.193 178.492 -0.299 1
1 359 . 16 1 1 A 29 29 GLU CA C 29 59.269 59.562 -0.293 1
1 360 . 16 1 1 A 29 29 GLU CB C 29 29.467 29.183 0.284 1
1 362 . 16 1 1 A 29 29 GLU N N 29 122.691 118.873 3.818 1
1 363 . 16 1 1 A 30 30 GLN H H 30 8.891 8.428 0.463 1
1 364 . 16 1 1 A 30 30 GLN HA H 30 3.805 3.978 -0.173 1
1 371 . 16 1 1 A 30 30 GLN C C 30 177.828 177.932 -0.104 1
1 372 . 16 1 1 A 30 30 GLN CA C 30 59.703 59.046 0.657 1
1 373 . 16 1 1 A 30 30 GLN CB C 30 29.404 28.327 1.077 1
1 376 . 16 1 1 A 30 30 GLN N N 30 119.325 118.672 0.653 1
1 378 . 16 1 1 A 31 31 GLN H H 31 7.874 8.044 -0.170 1
1 379 . 16 1 1 A 31 31 GLN HA H 31 4.085 3.984 0.101 1
1 386 . 16 1 1 A 31 31 GLN C C 31 178.371 177.837 0.534 1
1 387 . 16 1 1 A 31 31 GLN CA C 31 58.842 58.732 0.110 1
1 388 . 16 1 1 A 31 31 GLN CB C 31 28.283 28.957 -0.674 1
1 391 . 16 1 1 A 31 31 GLN N N 31 118.010 119.267 -1.257 1
1 393 . 16 1 1 A 32 32 LYS H H 32 7.739 8.075 -0.336 1
1 394 . 16 1 1 A 32 32 LYS HA H 32 4.096 4.053 0.043 1
1 403 . 16 1 1 A 32 32 LYS C C 32 179.952 179.162 0.790 1
1 404 . 16 1 1 A 32 32 LYS CA C 32 59.708 59.502 0.206 1
1 405 . 16 1 1 A 32 32 LYS CB C 32 32.403 32.106 0.297 1
1 409 . 16 1 1 A 32 32 LYS N N 32 120.842 119.214 1.628 1
1 410 . 16 1 1 A 33 33 LEU H H 33 8.617 8.100 0.517 1
1 411 . 16 1 1 A 33 33 LEU HA H 33 4.153 4.104 0.049 1
1 421 . 16 1 1 A 33 33 LEU C C 33 179.446 179.191 0.255 1
1 422 . 16 1 1 A 33 33 LEU CA C 33 57.774 56.930 0.844 1
1 423 . 16 1 1 A 33 33 LEU CB C 33 42.585 41.387 1.198 1
1 427 . 16 1 1 A 33 33 LEU N N 33 120.088 119.703 0.385 1
1 428 . 16 1 1 A 34 34 ARG H H 34 8.413 8.348 0.065 1
1 429 . 16 1 1 A 34 34 ARG HA H 34 4.009 4.011 -0.002 1
1 436 . 16 1 1 A 34 34 ARG C C 34 178.614 179.190 -0.576 1
1 437 . 16 1 1 A 34 34 ARG CA C 34 59.839 59.269 0.570 1
1 438 . 16 1 1 A 34 34 ARG CB C 34 29.772 29.811 -0.039 1
1 441 . 16 1 1 A 34 34 ARG N N 34 119.206 120.041 -0.835 1
1 442 . 16 1 1 A 35 35 GLN H H 35 7.850 7.980 -0.130 1
1 443 . 16 1 1 A 35 35 GLN HA H 35 4.085 4.076 0.009 1
1 450 . 16 1 1 A 35 35 GLN C C 35 178.621 179.030 -0.409 1
1 451 . 16 1 1 A 35 35 GLN CA C 35 58.771 59.106 -0.335 1
1 452 . 16 1 1 A 35 35 GLN CB C 35 28.331 28.535 -0.204 1
1 455 . 16 1 1 A 35 35 GLN N N 35 117.434 119.071 -1.637 1
1 457 . 16 1 1 A 36 36 GLU H H 36 7.939 7.958 -0.019 1
1 458 . 16 1 1 A 36 36 GLU HA H 36 4.015 4.046 -0.031 1
1 463 . 16 1 1 A 36 36 GLU C C 36 178.975 178.967 0.008 1
1 464 . 16 1 1 A 36 36 GLU CA C 36 59.271 59.360 -0.089 1
1 465 . 16 1 1 A 36 36 GLU CB C 36 29.750 29.463 0.287 1
1 467 . 16 1 1 A 36 36 GLU N N 36 119.554 120.393 -0.839 1
1 468 . 16 1 1 A 37 37 TYR H H 37 8.578 8.052 0.526 1
1 469 . 16 1 1 A 37 37 TYR HA H 37 4.164 4.157 0.007 1
1 476 . 16 1 1 A 37 37 TYR C C 37 177.550 177.171 0.379 1
1 477 . 16 1 1 A 37 37 TYR CA C 37 60.590 60.836 -0.246 1
1 478 . 16 1 1 A 37 37 TYR CB C 37 38.709 38.753 -0.044 1
1 483 . 16 1 1 A 37 37 TYR N N 37 120.782 121.510 -0.728 1
1 484 . 16 1 1 A 38 38 LEU H H 38 8.229 7.717 0.512 1
1 485 . 16 1 1 A 38 38 LEU HA H 38 4.072 4.203 -0.131 1
1 495 . 16 1 1 A 38 38 LEU C C 38 178.983 176.886 2.097 1
1 496 . 16 1 1 A 38 38 LEU CA C 38 57.053 55.021 2.032 1
1 497 . 16 1 1 A 38 38 LEU CB C 38 42.020 41.743 0.277 1
1 501 . 16 1 1 A 38 38 LEU N N 38 119.275 119.236 0.039 1
1 502 . 16 1 1 A 39 39 LYS H H 39 7.790 7.217 0.573 1
1 503 . 16 1 1 A 39 39 LYS HA H 39 4.152 4.202 -0.050 1
1 512 . 16 1 1 A 39 39 LYS C C 39 178.123 177.382 0.741 1
1 513 . 16 1 1 A 39 39 LYS CA C 39 58.197 58.374 -0.177 1
1 514 . 16 1 1 A 39 39 LYS CB C 39 32.466 32.047 0.419 1
1 518 . 16 1 1 A 39 39 LYS N N 39 118.917 120.341 -1.424 1
1 519 . 16 1 1 A 40 40 GLY H H 40 7.885 8.716 -0.831 1
1 520 . 16 1 1 A 40 40 GLY HA2 H 40 3.970 3.996 -0.026 1
1 521 . 16 1 1 A 40 40 GLY HA3 H 40 3.768 4.002 -0.234 1
1 522 . 16 1 1 A 40 40 GLY C C 40 174.349 175.278 -0.929 1
1 523 . 16 1 1 A 40 40 GLY CA C 40 45.758 45.909 -0.151 1
1 524 . 16 1 1 A 40 40 GLY N N 40 106.796 113.603 -6.807 1
1 525 . 16 1 1 A 41 41 PHE H H 41 7.859 8.180 -0.321 1
1 526 . 16 1 1 A 41 41 PHE HA H 41 4.455 4.098 0.357 1
1 534 . 16 1 1 A 41 41 PHE C C 41 176.028 174.985 1.043 1
1 535 . 16 1 1 A 41 41 PHE CA C 41 58.735 60.938 -2.203 1
1 536 . 16 1 1 A 41 41 PHE CB C 41 39.408 40.016 -0.608 1
1 542 . 16 1 1 A 41 41 PHE N N 41 120.317 121.315 -0.998 1
1 543 . 16 1 1 A 42 42 ARG H H 42 8.044 8.147 -0.103 1
1 544 . 16 1 1 A 42 42 ARG HA H 42 4.269 4.462 -0.193 1
1 551 . 16 1 1 A 42 42 ARG C C 42 176.487 176.308 0.179 1
1 552 . 16 1 1 A 42 42 ARG CA C 42 56.505 54.855 1.650 1
1 553 . 16 1 1 A 42 42 ARG CB C 42 30.801 32.795 -1.994 1
1 556 . 16 1 1 A 42 42 ARG N N 42 121.581 118.059 3.522 1
1 557 . 16 1 1 A 43 43 SER H H 43 8.218 8.992 -0.774 1
1 558 . 16 1 1 A 43 43 SER HA H 43 4.389 4.088 0.301 1
1 561 . 16 1 1 A 43 43 SER C C 43 174.872 174.387 0.485 1
1 562 . 16 1 1 A 43 43 SER CA C 43 58.809 59.154 -0.345 1
1 563 . 16 1 1 A 43 43 SER CB C 43 63.615 62.634 0.981 1
1 564 . 16 1 1 A 43 43 SER N N 43 116.338 117.998 -1.660 1
1 565 . 16 1 1 A 44 44 SER H H 44 8.247 7.822 0.425 1
1 566 . 16 1 1 A 44 44 SER HA H 44 4.441 4.390 0.051 1
1 569 . 16 1 1 A 44 44 SER C C 44 174.653 173.754 0.899 1
1 570 . 16 1 1 A 44 44 SER CA C 44 58.697 59.240 -0.543 1
1 571 . 16 1 1 A 44 44 SER CB C 44 63.743 63.483 0.260 1
1 572 . 16 1 1 A 44 44 SER N N 44 117.375 115.620 1.755 1
1 573 . 16 1 1 A 45 45 MET H H 45 8.194 8.722 -0.528 1
1 574 . 16 1 1 A 45 45 MET HA H 45 4.417 4.566 -0.149 1
1 579 . 16 1 1 A 45 45 MET C C 45 176.033 175.119 0.914 1
1 580 . 16 1 1 A 45 45 MET CA C 45 55.795 55.347 0.448 1
1 581 . 16 1 1 A 45 45 MET CB C 45 32.840 32.570 0.270 1
1 583 . 16 1 1 A 45 45 MET N N 45 122.021 125.911 -3.890 1
1 584 . 16 1 1 A 46 46 LYS H H 46 8.220 8.760 -0.540 1
1 585 . 16 1 1 A 46 46 LYS HA H 46 4.276 4.873 -0.597 1
1 594 . 16 1 1 A 46 46 LYS C C 46 176.299 175.155 1.144 1
1 595 . 16 1 1 A 46 46 LYS CA C 46 56.399 54.473 1.926 1
1 596 . 16 1 1 A 46 46 LYS CB C 46 32.834 35.862 -3.028 1
1 600 . 16 1 1 A 46 46 LYS N N 46 122.277 126.909 -4.632 1
1 601 . 16 1 1 A 47 47 LEU H H 47 8.210 8.373 -0.163 1
1 602 . 16 1 1 A 47 47 LEU HA H 47 4.299 4.509 -0.210 1
1 612 . 16 1 1 A 47 47 LEU C C 47 177.189 175.443 1.746 1
1 613 . 16 1 1 A 47 47 LEU CA C 47 55.134 55.430 -0.296 1
1 614 . 16 1 1 A 47 47 LEU CB C 47 42.301 42.296 0.005 1
1 618 . 16 1 1 A 47 47 LEU N N 47 123.549 123.074 0.475 1
1 9 . 17 1 1 A 2 2 ILE HA H 2 4.350 4.321 0.029 1
1 19 . 17 1 1 A 2 2 ILE C C 2 174.508 174.459 0.049 1
1 20 . 17 1 1 A 2 2 ILE CA C 2 61.095 62.209 -1.114 1
1 21 . 17 1 1 A 2 2 ILE CB C 2 39.193 38.931 0.262 1
1 25 . 17 1 1 A 3 3 SER H H 3 8.112 8.206 -0.094 1
1 26 . 17 1 1 A 3 3 SER HA H 3 4.414 4.904 -0.490 1
1 29 . 17 1 1 A 3 3 SER C C 3 174.652 174.989 -0.337 1
1 30 . 17 1 1 A 3 3 SER CA C 3 57.714 55.940 1.774 1
1 31 . 17 1 1 A 3 3 SER CB C 3 64.725 65.911 -1.186 1
1 32 . 17 1 1 A 3 3 SER N N 3 119.280 124.433 -5.153 1
1 33 . 17 1 1 A 4 4 ASN H H 4 8.832 9.101 -0.269 1
1 34 . 17 1 1 A 4 4 ASN HA H 4 4.511 4.472 0.039 1
1 39 . 17 1 1 A 4 4 ASN C C 4 177.606 177.633 -0.027 1
1 40 . 17 1 1 A 4 4 ASN CA C 4 55.617 56.164 -0.547 1
1 41 . 17 1 1 A 4 4 ASN CB C 4 37.972 38.057 -0.085 1
1 43 . 17 1 1 A 4 4 ASN N N 4 120.760 124.302 -3.542 1
1 45 . 17 1 1 A 5 5 ALA H H 5 8.504 8.255 0.249 1
1 46 . 17 1 1 A 5 5 ALA HA H 5 4.191 4.039 0.152 1
1 50 . 17 1 1 A 5 5 ALA C C 5 180.504 179.867 0.637 1
1 51 . 17 1 1 A 5 5 ALA CA C 5 54.896 55.568 -0.672 1
1 52 . 17 1 1 A 5 5 ALA CB C 5 18.468 18.434 0.034 1
1 53 . 17 1 1 A 5 5 ALA N N 5 123.401 122.605 0.796 1
1 54 . 17 1 1 A 6 6 LYS H H 6 7.844 7.757 0.087 1
1 55 . 17 1 1 A 6 6 LYS HA H 6 4.119 4.101 0.018 1
1 64 . 17 1 1 A 6 6 LYS C C 6 178.320 179.322 -1.002 1
1 65 . 17 1 1 A 6 6 LYS CA C 6 59.550 59.312 0.238 1
1 66 . 17 1 1 A 6 6 LYS CB C 6 32.639 32.516 0.123 1
1 70 . 17 1 1 A 6 6 LYS N N 6 119.908 117.849 2.059 1
1 71 . 17 1 1 A 7 7 ILE H H 7 7.887 8.060 -0.173 1
1 72 . 17 1 1 A 7 7 ILE HA H 7 3.615 3.671 -0.056 1
1 82 . 17 1 1 A 7 7 ILE C C 7 177.784 177.663 0.121 1
1 83 . 17 1 1 A 7 7 ILE CA C 7 64.351 65.701 -1.350 1
1 84 . 17 1 1 A 7 7 ILE CB C 7 37.623 37.725 -0.102 1
1 88 . 17 1 1 A 7 7 ILE N N 7 120.487 120.718 -0.231 1
1 89 . 17 1 1 A 8 8 ALA H H 8 8.062 8.445 -0.383 1
1 90 . 17 1 1 A 8 8 ALA HA H 8 4.160 3.926 0.234 1
1 94 . 17 1 1 A 8 8 ALA C C 8 180.625 179.299 1.326 1
1 95 . 17 1 1 A 8 8 ALA CA C 8 55.102 55.273 -0.171 1
1 96 . 17 1 1 A 8 8 ALA CB C 8 17.517 18.128 -0.611 1
1 97 . 17 1 1 A 8 8 ALA N N 8 121.576 121.592 -0.016 1
1 98 . 17 1 1 A 9 9 ARG H H 9 7.769 7.440 0.329 1
1 99 . 17 1 1 A 9 9 ARG HA H 9 4.226 4.116 0.110 1
1 107 . 17 1 1 A 9 9 ARG C C 9 178.076 178.825 -0.749 1
1 108 . 17 1 1 A 9 9 ARG CA C 9 57.517 58.411 -0.894 1
1 109 . 17 1 1 A 9 9 ARG CB C 9 29.638 30.020 -0.382 1
1 112 . 17 1 1 A 9 9 ARG N N 9 120.694 118.526 2.168 1
1 114 . 17 1 1 A 10 10 ILE H H 10 8.462 8.332 0.130 1
1 115 . 17 1 1 A 10 10 ILE HA H 10 3.576 3.479 0.097 1
1 125 . 17 1 1 A 10 10 ILE C C 10 179.221 177.825 1.396 1
1 126 . 17 1 1 A 10 10 ILE CA C 10 66.414 65.758 0.656 1
1 127 . 17 1 1 A 10 10 ILE CB C 10 37.872 37.736 0.136 1
1 131 . 17 1 1 A 10 10 ILE N N 10 121.475 120.331 1.144 1
1 132 . 17 1 1 A 11 11 ASN H H 11 8.161 8.072 0.089 1
1 133 . 17 1 1 A 11 11 ASN HA H 11 4.485 4.453 0.032 1
1 138 . 17 1 1 A 11 11 ASN C C 11 178.124 177.858 0.266 1
1 139 . 17 1 1 A 11 11 ASN CA C 11 55.961 56.638 -0.677 1
1 140 . 17 1 1 A 11 11 ASN CB C 11 37.642 37.708 -0.066 1
1 142 . 17 1 1 A 11 11 ASN N N 11 119.357 117.949 1.408 1
1 144 . 17 1 1 A 12 12 GLU H H 12 8.528 8.293 0.235 1
1 145 . 17 1 1 A 12 12 GLU HA H 12 4.111 4.037 0.074 1
1 150 . 17 1 1 A 12 12 GLU C C 12 179.650 179.517 0.133 1
1 151 . 17 1 1 A 12 12 GLU CA C 12 59.252 59.345 -0.093 1
1 152 . 17 1 1 A 12 12 GLU CB C 12 30.026 29.558 0.468 1
1 154 . 17 1 1 A 12 12 GLU N N 12 124.689 119.598 5.091 1
1 155 . 17 1 1 A 13 13 LEU H H 13 8.669 8.331 0.338 1
1 156 . 17 1 1 A 13 13 LEU HA H 13 3.948 4.131 -0.183 1
1 166 . 17 1 1 A 13 13 LEU C C 13 178.491 179.408 -0.917 1
1 167 . 17 1 1 A 13 13 LEU CA C 13 57.835 57.254 0.581 1
1 168 . 17 1 1 A 13 13 LEU CB C 13 41.160 41.316 -0.156 1
1 172 . 17 1 1 A 13 13 LEU N N 13 119.467 120.266 -0.799 1
1 173 . 17 1 1 A 14 14 ALA H H 14 8.326 8.194 0.132 1
1 174 . 17 1 1 A 14 14 ALA HA H 14 4.076 3.992 0.084 1
1 178 . 17 1 1 A 14 14 ALA C C 14 180.903 179.452 1.451 1
1 179 . 17 1 1 A 14 14 ALA CA C 14 55.100 55.111 -0.011 1
1 180 . 17 1 1 A 14 14 ALA CB C 14 17.838 18.092 -0.254 1
1 181 . 17 1 1 A 14 14 ALA N N 14 122.290 122.762 -0.472 1
1 182 . 17 1 1 A 15 15 ALA H H 15 7.794 8.356 -0.562 1
1 183 . 17 1 1 A 15 15 ALA HA H 15 4.176 3.966 0.210 1
1 187 . 17 1 1 A 15 15 ALA C C 15 181.255 180.042 1.213 1
1 188 . 17 1 1 A 15 15 ALA CA C 15 55.196 55.389 -0.193 1
1 189 . 17 1 1 A 15 15 ALA CB C 15 17.568 18.256 -0.688 1
1 190 . 17 1 1 A 15 15 ALA N N 15 121.829 120.386 1.443 1
1 191 . 17 1 1 A 16 16 LYS H H 16 7.977 7.940 0.037 1
1 192 . 17 1 1 A 16 16 LYS HA H 16 4.026 3.965 0.061 1
1 201 . 17 1 1 A 16 16 LYS C C 16 179.086 178.952 0.134 1
1 202 . 17 1 1 A 16 16 LYS CA C 16 59.878 59.237 0.641 1
1 203 . 17 1 1 A 16 16 LYS CB C 16 32.727 32.169 0.558 1
1 207 . 17 1 1 A 16 16 LYS N N 16 120.084 116.955 3.129 1
1 208 . 17 1 1 A 17 17 ALA H H 17 8.527 8.295 0.232 1
1 209 . 17 1 1 A 17 17 ALA HA H 17 4.026 4.085 -0.059 1
1 213 . 17 1 1 A 17 17 ALA C C 17 181.147 179.606 1.541 1
1 214 . 17 1 1 A 17 17 ALA CA C 17 54.993 55.064 -0.071 1
1 215 . 17 1 1 A 17 17 ALA CB C 17 17.858 18.759 -0.901 1
1 216 . 17 1 1 A 17 17 ALA N N 17 123.164 122.276 0.888 1
1 217 . 17 1 1 A 18 18 LYS H H 18 8.125 8.083 0.042 1
1 218 . 17 1 1 A 18 18 LYS HA H 18 4.053 3.996 0.057 1
1 227 . 17 1 1 A 18 18 LYS C C 18 177.994 179.267 -1.273 1
1 228 . 17 1 1 A 18 18 LYS CA C 18 58.961 59.264 -0.303 1
1 229 . 17 1 1 A 18 18 LYS CB C 18 32.400 32.364 0.036 1
1 233 . 17 1 1 A 18 18 LYS N N 18 120.927 117.401 3.526 1
1 234 . 17 1 1 A 19 19 ALA H H 19 7.659 7.729 -0.070 1
1 235 . 17 1 1 A 19 19 ALA HA H 19 4.355 4.283 0.072 1
1 239 . 17 1 1 A 19 19 ALA C C 19 177.769 177.823 -0.054 1
1 240 . 17 1 1 A 19 19 ALA CA C 19 52.453 52.160 0.293 1
1 241 . 17 1 1 A 19 19 ALA CB C 19 19.483 19.278 0.205 1
1 242 . 17 1 1 A 19 19 ALA N N 19 118.300 118.617 -0.317 1
1 243 . 17 1 1 A 20 20 GLY H H 20 7.758 7.662 0.096 1
1 244 . 17 1 1 A 20 20 GLY HA2 H 20 4.180 3.922 0.258 1
1 245 . 17 1 1 A 20 20 GLY HA3 H 20 3.947 3.924 0.023 1
1 246 . 17 1 1 A 20 20 GLY C C 20 175.031 175.042 -0.011 1
1 247 . 17 1 1 A 20 20 GLY CA C 20 45.907 45.902 0.005 1
1 248 . 17 1 1 A 20 20 GLY N N 20 105.949 106.164 -0.215 1
1 249 . 17 1 1 A 21 21 VAL H H 21 7.678 7.705 -0.027 1
1 250 . 17 1 1 A 21 21 VAL HA H 21 4.608 4.359 0.249 1
1 258 . 17 1 1 A 21 21 VAL C C 21 175.837 174.949 0.888 1
1 259 . 17 1 1 A 21 21 VAL CA C 21 60.158 61.234 -1.076 1
1 260 . 17 1 1 A 21 21 VAL CB C 21 32.525 31.816 0.709 1
1 263 . 17 1 1 A 21 21 VAL N N 21 109.739 116.944 -7.205 1
1 264 . 17 1 1 A 22 22 ILE H H 22 6.842 7.426 -0.584 1
1 265 . 17 1 1 A 22 22 ILE HA H 22 4.347 4.680 -0.333 1
1 275 . 17 1 1 A 22 22 ILE C C 22 174.145 175.436 -1.291 1
1 276 . 17 1 1 A 22 22 ILE CA C 22 61.285 59.510 1.775 1
1 277 . 17 1 1 A 22 22 ILE CB C 22 40.142 40.908 -0.766 1
1 281 . 17 1 1 A 22 22 ILE N N 22 124.020 124.313 -0.293 1
1 282 . 17 1 1 A 23 23 THR H H 23 9.104 8.951 0.153 1
1 283 . 17 1 1 A 23 23 THR HA H 23 4.597 4.717 -0.120 1
1 288 . 17 1 1 A 23 23 THR C C 23 175.820 176.145 -0.325 1
1 289 . 17 1 1 A 23 23 THR CA C 23 61.139 60.534 0.605 1
1 290 . 17 1 1 A 23 23 THR CB C 23 71.396 71.543 -0.147 1
1 292 . 17 1 1 A 23 23 THR N N 23 120.184 117.565 2.619 1
1 293 . 17 1 1 A 24 24 GLU H H 24 9.011 9.010 0.001 1
1 294 . 17 1 1 A 24 24 GLU HA H 24 3.965 4.004 -0.039 1
1 299 . 17 1 1 A 24 24 GLU C C 24 180.012 178.843 1.169 1
1 300 . 17 1 1 A 24 24 GLU CA C 24 60.049 59.901 0.148 1
1 301 . 17 1 1 A 24 24 GLU CB C 24 29.095 29.194 -0.099 1
1 303 . 17 1 1 A 24 24 GLU N N 24 120.289 121.497 -1.208 1
1 304 . 17 1 1 A 25 25 GLU H H 25 8.917 8.134 0.783 1
1 305 . 17 1 1 A 25 25 GLU HA H 25 4.116 4.051 0.065 1
1 310 . 17 1 1 A 25 25 GLU C C 25 180.164 179.151 1.013 1
1 311 . 17 1 1 A 25 25 GLU CA C 25 60.042 59.308 0.734 1
1 312 . 17 1 1 A 25 25 GLU CB C 25 29.131 29.278 -0.147 1
1 314 . 17 1 1 A 25 25 GLU N N 25 120.676 120.137 0.539 1
1 315 . 17 1 1 A 26 26 GLU H H 26 7.837 7.746 0.091 1
1 316 . 17 1 1 A 26 26 GLU HA H 26 4.074 4.015 0.059 1
1 321 . 17 1 1 A 26 26 GLU C C 26 179.093 179.536 -0.443 1
1 322 . 17 1 1 A 26 26 GLU CA C 26 58.684 59.198 -0.514 1
1 323 . 17 1 1 A 26 26 GLU CB C 26 30.606 29.257 1.349 1
1 325 . 17 1 1 A 26 26 GLU N N 26 121.997 118.455 3.542 1
1 326 . 17 1 1 A 27 27 LYS H H 27 8.659 8.308 0.351 1
1 327 . 17 1 1 A 27 27 LYS HA H 27 3.964 4.013 -0.049 1
1 336 . 17 1 1 A 27 27 LYS C C 27 179.776 179.021 0.755 1
1 337 . 17 1 1 A 27 27 LYS CA C 27 60.129 59.229 0.900 1
1 338 . 17 1 1 A 27 27 LYS CB C 27 32.537 32.055 0.482 1
1 342 . 17 1 1 A 27 27 LYS N N 27 121.367 119.209 2.158 1
1 343 . 17 1 1 A 28 28 ALA H H 28 7.648 8.048 -0.400 1
1 344 . 17 1 1 A 28 28 ALA HA H 28 4.216 3.999 0.217 1
1 348 . 17 1 1 A 28 28 ALA C C 28 180.525 178.941 1.584 1
1 349 . 17 1 1 A 28 28 ALA CA C 28 55.014 55.334 -0.320 1
1 350 . 17 1 1 A 28 28 ALA CB C 28 17.610 18.288 -0.678 1
1 351 . 17 1 1 A 28 28 ALA N N 28 122.685 122.097 0.588 1
1 352 . 17 1 1 A 29 29 GLU H H 29 7.915 8.116 -0.201 1
1 353 . 17 1 1 A 29 29 GLU HA H 29 3.971 4.080 -0.109 1
1 358 . 17 1 1 A 29 29 GLU C C 29 178.193 178.441 -0.248 1
1 359 . 17 1 1 A 29 29 GLU CA C 29 59.269 59.140 0.129 1
1 360 . 17 1 1 A 29 29 GLU CB C 29 29.467 29.293 0.174 1
1 362 . 17 1 1 A 29 29 GLU N N 29 122.691 118.624 4.067 1
1 363 . 17 1 1 A 30 30 GLN H H 30 8.891 8.339 0.552 1
1 364 . 17 1 1 A 30 30 GLN HA H 30 3.805 3.977 -0.172 1
1 371 . 17 1 1 A 30 30 GLN C C 30 177.828 178.383 -0.555 1
1 372 . 17 1 1 A 30 30 GLN CA C 30 59.703 59.145 0.558 1
1 373 . 17 1 1 A 30 30 GLN CB C 30 29.404 28.362 1.042 1
1 376 . 17 1 1 A 30 30 GLN N N 30 119.325 118.797 0.528 1
1 378 . 17 1 1 A 31 31 GLN H H 31 7.874 7.879 -0.005 1
1 379 . 17 1 1 A 31 31 GLN HA H 31 4.085 3.969 0.116 1
1 386 . 17 1 1 A 31 31 GLN C C 31 178.371 178.171 0.200 1
1 387 . 17 1 1 A 31 31 GLN CA C 31 58.842 58.983 -0.141 1
1 388 . 17 1 1 A 31 31 GLN CB C 31 28.283 28.255 0.028 1
1 391 . 17 1 1 A 31 31 GLN N N 31 118.010 118.802 -0.792 1
1 393 . 17 1 1 A 32 32 LYS H H 32 7.739 7.951 -0.212 1
1 394 . 17 1 1 A 32 32 LYS HA H 32 4.096 4.041 0.055 1
1 403 . 17 1 1 A 32 32 LYS C C 32 179.952 178.934 1.018 1
1 404 . 17 1 1 A 32 32 LYS CA C 32 59.708 59.421 0.287 1
1 405 . 17 1 1 A 32 32 LYS CB C 32 32.403 32.062 0.341 1
1 409 . 17 1 1 A 32 32 LYS N N 32 120.842 120.324 0.518 1
1 410 . 17 1 1 A 33 33 LEU H H 33 8.617 8.584 0.033 1
1 411 . 17 1 1 A 33 33 LEU HA H 33 4.153 3.950 0.203 1
1 421 . 17 1 1 A 33 33 LEU C C 33 179.446 179.278 0.168 1
1 422 . 17 1 1 A 33 33 LEU CA C 33 57.774 57.983 -0.209 1
1 423 . 17 1 1 A 33 33 LEU CB C 33 42.585 41.316 1.269 1
1 427 . 17 1 1 A 33 33 LEU N N 33 120.088 119.519 0.569 1
1 428 . 17 1 1 A 34 34 ARG H H 34 8.413 8.079 0.334 1
1 429 . 17 1 1 A 34 34 ARG HA H 34 4.009 4.031 -0.022 1
1 436 . 17 1 1 A 34 34 ARG C C 34 178.614 179.058 -0.444 1
1 437 . 17 1 1 A 34 34 ARG CA C 34 59.839 59.335 0.504 1
1 438 . 17 1 1 A 34 34 ARG CB C 34 29.772 29.629 0.143 1
1 441 . 17 1 1 A 34 34 ARG N N 34 119.206 118.937 0.269 1
1 442 . 17 1 1 A 35 35 GLN H H 35 7.850 8.060 -0.210 1
1 443 . 17 1 1 A 35 35 GLN HA H 35 4.085 4.070 0.015 1
1 450 . 17 1 1 A 35 35 GLN C C 35 178.621 178.857 -0.236 1
1 451 . 17 1 1 A 35 35 GLN CA C 35 58.771 58.940 -0.169 1
1 452 . 17 1 1 A 35 35 GLN CB C 35 28.331 28.352 -0.021 1
1 455 . 17 1 1 A 35 35 GLN N N 35 117.434 119.667 -2.233 1
1 457 . 17 1 1 A 36 36 GLU H H 36 7.939 8.012 -0.073 1
1 458 . 17 1 1 A 36 36 GLU HA H 36 4.015 4.049 -0.034 1
1 463 . 17 1 1 A 36 36 GLU C C 36 178.975 178.914 0.061 1
1 464 . 17 1 1 A 36 36 GLU CA C 36 59.271 59.194 0.077 1
1 465 . 17 1 1 A 36 36 GLU CB C 36 29.750 29.373 0.377 1
1 467 . 17 1 1 A 36 36 GLU N N 36 119.554 120.106 -0.552 1
1 468 . 17 1 1 A 37 37 TYR H H 37 8.578 8.067 0.511 1
1 469 . 17 1 1 A 37 37 TYR HA H 37 4.164 4.111 0.053 1
1 476 . 17 1 1 A 37 37 TYR C C 37 177.550 176.819 0.731 1
1 477 . 17 1 1 A 37 37 TYR CA C 37 60.590 60.941 -0.351 1
1 478 . 17 1 1 A 37 37 TYR CB C 37 38.709 38.681 0.028 1
1 483 . 17 1 1 A 37 37 TYR N N 37 120.782 121.198 -0.416 1
1 484 . 17 1 1 A 38 38 LEU H H 38 8.229 7.849 0.380 1
1 485 . 17 1 1 A 38 38 LEU HA H 38 4.072 4.300 -0.228 1
1 495 . 17 1 1 A 38 38 LEU C C 38 178.983 176.736 2.247 1
1 496 . 17 1 1 A 38 38 LEU CA C 38 57.053 54.542 2.511 1
1 497 . 17 1 1 A 38 38 LEU CB C 38 42.020 41.538 0.482 1
1 501 . 17 1 1 A 38 38 LEU N N 38 119.275 118.885 0.390 1
1 502 . 17 1 1 A 39 39 LYS H H 39 7.790 7.112 0.678 1
1 503 . 17 1 1 A 39 39 LYS HA H 39 4.152 4.200 -0.048 1
1 512 . 17 1 1 A 39 39 LYS C C 39 178.123 177.366 0.757 1
1 513 . 17 1 1 A 39 39 LYS CA C 39 58.197 58.138 0.059 1
1 514 . 17 1 1 A 39 39 LYS CB C 39 32.466 31.895 0.571 1
1 518 . 17 1 1 A 39 39 LYS N N 39 118.917 120.501 -1.584 1
1 519 . 17 1 1 A 40 40 GLY H H 40 7.885 8.763 -0.878 1
1 520 . 17 1 1 A 40 40 GLY HA2 H 40 3.970 3.998 -0.028 1
1 521 . 17 1 1 A 40 40 GLY HA3 H 40 3.768 4.003 -0.235 1
1 522 . 17 1 1 A 40 40 GLY C C 40 174.349 175.187 -0.838 1
1 523 . 17 1 1 A 40 40 GLY CA C 40 45.758 46.087 -0.329 1
1 524 . 17 1 1 A 40 40 GLY N N 40 106.796 114.035 -7.239 1
1 525 . 17 1 1 A 41 41 PHE H H 41 7.859 7.841 0.018 1
1 526 . 17 1 1 A 41 41 PHE HA H 41 4.455 4.124 0.331 1
1 534 . 17 1 1 A 41 41 PHE C C 41 176.028 177.581 -1.553 1
1 535 . 17 1 1 A 41 41 PHE CA C 41 58.735 60.831 -2.096 1
1 536 . 17 1 1 A 41 41 PHE CB C 41 39.408 39.788 -0.380 1
1 542 . 17 1 1 A 41 41 PHE N N 41 120.317 121.736 -1.419 1
1 543 . 17 1 1 A 42 42 ARG H H 42 8.044 8.452 -0.408 1
1 544 . 17 1 1 A 42 42 ARG HA H 42 4.269 4.121 0.148 1
1 551 . 17 1 1 A 42 42 ARG C C 42 176.487 176.644 -0.157 1
1 552 . 17 1 1 A 42 42 ARG CA C 42 56.505 59.254 -2.749 1
1 553 . 17 1 1 A 42 42 ARG CB C 42 30.801 30.450 0.351 1
1 556 . 17 1 1 A 42 42 ARG N N 42 121.581 118.922 2.659 1
1 557 . 17 1 1 A 43 43 SER H H 43 8.218 7.864 0.354 1
1 558 . 17 1 1 A 43 43 SER HA H 43 4.389 4.525 -0.136 1
1 561 . 17 1 1 A 43 43 SER C C 43 174.872 173.640 1.232 1
1 562 . 17 1 1 A 43 43 SER CA C 43 58.809 57.439 1.370 1
1 563 . 17 1 1 A 43 43 SER CB C 43 63.615 62.944 0.671 1
1 564 . 17 1 1 A 43 43 SER N N 43 116.338 111.504 4.834 1
1 565 . 17 1 1 A 44 44 SER H H 44 8.247 8.232 0.015 1
1 566 . 17 1 1 A 44 44 SER HA H 44 4.441 4.683 -0.242 1
1 569 . 17 1 1 A 44 44 SER C C 44 174.653 175.556 -0.903 1
1 570 . 17 1 1 A 44 44 SER CA C 44 58.697 57.545 1.152 1
1 571 . 17 1 1 A 44 44 SER CB C 44 63.743 64.792 -1.049 1
1 572 . 17 1 1 A 44 44 SER N N 44 117.375 118.782 -1.407 1
1 573 . 17 1 1 A 45 45 MET H H 45 8.194 8.787 -0.593 1
1 574 . 17 1 1 A 45 45 MET HA H 45 4.417 4.142 0.275 1
1 579 . 17 1 1 A 45 45 MET C C 45 176.033 176.252 -0.219 1
1 580 . 17 1 1 A 45 45 MET CA C 45 55.795 58.485 -2.690 1
1 581 . 17 1 1 A 45 45 MET CB C 45 32.840 32.848 -0.008 1
1 583 . 17 1 1 A 45 45 MET N N 45 122.021 121.821 0.200 1
1 584 . 17 1 1 A 46 46 LYS H H 46 8.220 8.105 0.115 1
1 585 . 17 1 1 A 46 46 LYS HA H 46 4.276 3.942 0.334 1
1 594 . 17 1 1 A 46 46 LYS C C 46 176.299 175.232 1.067 1
1 595 . 17 1 1 A 46 46 LYS CA C 46 56.399 57.105 -0.706 1
1 596 . 17 1 1 A 46 46 LYS CB C 46 32.834 30.978 1.856 1
1 600 . 17 1 1 A 46 46 LYS N N 46 122.277 119.311 2.966 1
1 601 . 17 1 1 A 47 47 LEU H H 47 8.210 7.828 0.382 1
1 602 . 17 1 1 A 47 47 LEU HA H 47 4.299 4.539 -0.240 1
1 612 . 17 1 1 A 47 47 LEU C C 47 177.189 175.135 2.054 1
1 613 . 17 1 1 A 47 47 LEU CA C 47 55.134 54.638 0.496 1
1 614 . 17 1 1 A 47 47 LEU CB C 47 42.301 44.297 -1.996 1
1 618 . 17 1 1 A 47 47 LEU N N 47 123.549 125.423 -1.874 1
1 9 . 18 1 1 A 2 2 ILE HA H 2 4.350 4.397 -0.047 1
1 19 . 18 1 1 A 2 2 ILE C C 2 174.508 175.040 -0.532 1
1 20 . 18 1 1 A 2 2 ILE CA C 2 61.095 61.647 -0.552 1
1 21 . 18 1 1 A 2 2 ILE CB C 2 39.193 38.871 0.322 1
1 25 . 18 1 1 A 3 3 SER H H 3 8.112 8.467 -0.355 1
1 26 . 18 1 1 A 3 3 SER HA H 3 4.414 4.940 -0.526 1
1 29 . 18 1 1 A 3 3 SER C C 3 174.652 174.679 -0.027 1
1 30 . 18 1 1 A 3 3 SER CA C 3 57.714 56.160 1.554 1
1 31 . 18 1 1 A 3 3 SER CB C 3 64.725 66.314 -1.589 1
1 32 . 18 1 1 A 3 3 SER N N 3 119.280 121.434 -2.154 1
1 33 . 18 1 1 A 4 4 ASN H H 4 8.832 9.144 -0.312 1
1 34 . 18 1 1 A 4 4 ASN HA H 4 4.511 4.479 0.032 1
1 39 . 18 1 1 A 4 4 ASN C C 4 177.606 177.682 -0.076 1
1 40 . 18 1 1 A 4 4 ASN CA C 4 55.617 56.495 -0.878 1
1 41 . 18 1 1 A 4 4 ASN CB C 4 37.972 37.914 0.058 1
1 43 . 18 1 1 A 4 4 ASN N N 4 120.760 120.939 -0.179 1
1 45 . 18 1 1 A 5 5 ALA H H 5 8.504 8.307 0.197 1
1 46 . 18 1 1 A 5 5 ALA HA H 5 4.191 4.025 0.166 1
1 50 . 18 1 1 A 5 5 ALA C C 5 180.504 179.278 1.226 1
1 51 . 18 1 1 A 5 5 ALA CA C 5 54.896 55.325 -0.429 1
1 52 . 18 1 1 A 5 5 ALA CB C 5 18.468 18.144 0.324 1
1 53 . 18 1 1 A 5 5 ALA N N 5 123.401 123.042 0.359 1
1 54 . 18 1 1 A 6 6 LYS H H 6 7.844 7.807 0.037 1
1 55 . 18 1 1 A 6 6 LYS HA H 6 4.119 4.143 -0.024 1
1 64 . 18 1 1 A 6 6 LYS C C 6 178.320 179.761 -1.441 1
1 65 . 18 1 1 A 6 6 LYS CA C 6 59.550 59.479 0.071 1
1 66 . 18 1 1 A 6 6 LYS CB C 6 32.639 32.561 0.078 1
1 70 . 18 1 1 A 6 6 LYS N N 6 119.908 117.498 2.410 1
1 71 . 18 1 1 A 7 7 ILE H H 7 7.887 8.411 -0.524 1
1 72 . 18 1 1 A 7 7 ILE HA H 7 3.615 3.578 0.037 1
1 82 . 18 1 1 A 7 7 ILE C C 7 177.784 177.728 0.056 1
1 83 . 18 1 1 A 7 7 ILE CA C 7 64.351 66.149 -1.798 1
1 84 . 18 1 1 A 7 7 ILE CB C 7 37.623 38.148 -0.525 1
1 88 . 18 1 1 A 7 7 ILE N N 7 120.487 120.786 -0.299 1
1 89 . 18 1 1 A 8 8 ALA H H 8 8.062 8.365 -0.303 1
1 90 . 18 1 1 A 8 8 ALA HA H 8 4.160 3.918 0.242 1
1 94 . 18 1 1 A 8 8 ALA C C 8 180.625 179.227 1.398 1
1 95 . 18 1 1 A 8 8 ALA CA C 8 55.102 55.850 -0.748 1
1 96 . 18 1 1 A 8 8 ALA CB C 8 17.517 18.589 -1.072 1
1 97 . 18 1 1 A 8 8 ALA N N 8 121.576 121.842 -0.266 1
1 98 . 18 1 1 A 9 9 ARG H H 9 7.769 7.533 0.236 1
1 99 . 18 1 1 A 9 9 ARG HA H 9 4.226 4.071 0.155 1
1 107 . 18 1 1 A 9 9 ARG C C 9 178.076 178.762 -0.686 1
1 108 . 18 1 1 A 9 9 ARG CA C 9 57.517 58.793 -1.276 1
1 109 . 18 1 1 A 9 9 ARG CB C 9 29.638 29.954 -0.316 1
1 112 . 18 1 1 A 9 9 ARG N N 9 120.694 118.369 2.325 1
1 114 . 18 1 1 A 10 10 ILE H H 10 8.462 8.414 0.048 1
1 115 . 18 1 1 A 10 10 ILE HA H 10 3.576 3.565 0.011 1
1 125 . 18 1 1 A 10 10 ILE C C 10 179.221 177.974 1.247 1
1 126 . 18 1 1 A 10 10 ILE CA C 10 66.414 65.487 0.927 1
1 127 . 18 1 1 A 10 10 ILE CB C 10 37.872 37.821 0.051 1
1 131 . 18 1 1 A 10 10 ILE N N 10 121.475 119.801 1.674 1
1 132 . 18 1 1 A 11 11 ASN H H 11 8.161 8.040 0.121 1
1 133 . 18 1 1 A 11 11 ASN HA H 11 4.485 4.408 0.077 1
1 138 . 18 1 1 A 11 11 ASN C C 11 178.124 178.007 0.117 1
1 139 . 18 1 1 A 11 11 ASN CA C 11 55.961 56.163 -0.202 1
1 140 . 18 1 1 A 11 11 ASN CB C 11 37.642 37.705 -0.063 1
1 142 . 18 1 1 A 11 11 ASN N N 11 119.357 117.548 1.809 1
1 144 . 18 1 1 A 12 12 GLU H H 12 8.528 8.350 0.178 1
1 145 . 18 1 1 A 12 12 GLU HA H 12 4.111 4.016 0.095 1
1 150 . 18 1 1 A 12 12 GLU C C 12 179.650 179.476 0.174 1
1 151 . 18 1 1 A 12 12 GLU CA C 12 59.252 59.089 0.163 1
1 152 . 18 1 1 A 12 12 GLU CB C 12 30.026 29.482 0.544 1
1 154 . 18 1 1 A 12 12 GLU N N 12 124.689 119.568 5.121 1
1 155 . 18 1 1 A 13 13 LEU H H 13 8.669 8.387 0.282 1
1 156 . 18 1 1 A 13 13 LEU HA H 13 3.948 4.003 -0.055 1
1 166 . 18 1 1 A 13 13 LEU C C 13 178.491 178.523 -0.032 1
1 167 . 18 1 1 A 13 13 LEU CA C 13 57.835 57.832 0.003 1
1 168 . 18 1 1 A 13 13 LEU CB C 13 41.160 41.499 -0.339 1
1 172 . 18 1 1 A 13 13 LEU N N 13 119.467 119.897 -0.430 1
1 173 . 18 1 1 A 14 14 ALA H H 14 8.326 8.463 -0.137 1
1 174 . 18 1 1 A 14 14 ALA HA H 14 4.076 3.913 0.163 1
1 178 . 18 1 1 A 14 14 ALA C C 14 180.903 179.292 1.611 1
1 179 . 18 1 1 A 14 14 ALA CA C 14 55.100 55.609 -0.509 1
1 180 . 18 1 1 A 14 14 ALA CB C 14 17.838 17.772 0.066 1
1 181 . 18 1 1 A 14 14 ALA N N 14 122.290 121.895 0.395 1
1 182 . 18 1 1 A 15 15 ALA H H 15 7.794 8.258 -0.464 1
1 183 . 18 1 1 A 15 15 ALA HA H 15 4.176 4.017 0.159 1
1 187 . 18 1 1 A 15 15 ALA C C 15 181.255 179.961 1.294 1
1 188 . 18 1 1 A 15 15 ALA CA C 15 55.196 55.231 -0.035 1
1 189 . 18 1 1 A 15 15 ALA CB C 15 17.568 18.367 -0.799 1
1 190 . 18 1 1 A 15 15 ALA N N 15 121.829 119.970 1.859 1
1 191 . 18 1 1 A 16 16 LYS H H 16 7.977 7.680 0.297 1
1 192 . 18 1 1 A 16 16 LYS HA H 16 4.026 4.038 -0.012 1
1 201 . 18 1 1 A 16 16 LYS C C 16 179.086 178.779 0.307 1
1 202 . 18 1 1 A 16 16 LYS CA C 16 59.878 59.050 0.828 1
1 203 . 18 1 1 A 16 16 LYS CB C 16 32.727 32.263 0.464 1
1 207 . 18 1 1 A 16 16 LYS N N 16 120.084 117.210 2.874 1
1 208 . 18 1 1 A 17 17 ALA H H 17 8.527 7.928 0.599 1
1 209 . 18 1 1 A 17 17 ALA HA H 17 4.026 4.073 -0.047 1
1 213 . 18 1 1 A 17 17 ALA C C 17 181.147 179.757 1.390 1
1 214 . 18 1 1 A 17 17 ALA CA C 17 54.993 54.894 0.099 1
1 215 . 18 1 1 A 17 17 ALA CB C 17 17.858 18.235 -0.377 1
1 216 . 18 1 1 A 17 17 ALA N N 17 123.164 122.449 0.715 1
1 217 . 18 1 1 A 18 18 LYS H H 18 8.125 8.262 -0.137 1
1 218 . 18 1 1 A 18 18 LYS HA H 18 4.053 3.989 0.064 1
1 227 . 18 1 1 A 18 18 LYS C C 18 177.994 178.937 -0.943 1
1 228 . 18 1 1 A 18 18 LYS CA C 18 58.961 59.165 -0.204 1
1 229 . 18 1 1 A 18 18 LYS CB C 18 32.400 32.263 0.137 1
1 233 . 18 1 1 A 18 18 LYS N N 18 120.927 117.350 3.577 1
1 234 . 18 1 1 A 19 19 ALA H H 19 7.659 7.570 0.089 1
1 235 . 18 1 1 A 19 19 ALA HA H 19 4.355 4.193 0.162 1
1 239 . 18 1 1 A 19 19 ALA C C 19 177.769 177.878 -0.109 1
1 240 . 18 1 1 A 19 19 ALA CA C 19 52.453 53.086 -0.633 1
1 241 . 18 1 1 A 19 19 ALA CB C 19 19.483 19.502 -0.019 1
1 242 . 18 1 1 A 19 19 ALA N N 19 118.300 118.859 -0.559 1
1 243 . 18 1 1 A 20 20 GLY H H 20 7.758 8.175 -0.417 1
1 244 . 18 1 1 A 20 20 GLY HA2 H 20 4.180 4.005 0.175 1
1 245 . 18 1 1 A 20 20 GLY HA3 H 20 3.947 4.006 -0.059 1
1 246 . 18 1 1 A 20 20 GLY C C 20 175.031 174.974 0.057 1
1 247 . 18 1 1 A 20 20 GLY CA C 20 45.907 45.418 0.489 1
1 248 . 18 1 1 A 20 20 GLY N N 20 105.949 106.395 -0.446 1
1 249 . 18 1 1 A 21 21 VAL H H 21 7.678 7.982 -0.304 1
1 250 . 18 1 1 A 21 21 VAL HA H 21 4.608 4.386 0.222 1
1 258 . 18 1 1 A 21 21 VAL C C 21 175.837 175.686 0.151 1
1 259 . 18 1 1 A 21 21 VAL CA C 21 60.158 61.386 -1.228 1
1 260 . 18 1 1 A 21 21 VAL CB C 21 32.525 33.007 -0.482 1
1 263 . 18 1 1 A 21 21 VAL N N 21 109.739 116.162 -6.423 1
1 264 . 18 1 1 A 22 22 ILE H H 22 6.842 7.469 -0.627 1
1 265 . 18 1 1 A 22 22 ILE HA H 22 4.347 4.092 0.255 1
1 275 . 18 1 1 A 22 22 ILE C C 22 174.145 175.082 -0.937 1
1 276 . 18 1 1 A 22 22 ILE CA C 22 61.285 62.183 -0.898 1
1 277 . 18 1 1 A 22 22 ILE CB C 22 40.142 38.776 1.366 1
1 281 . 18 1 1 A 22 22 ILE N N 22 124.020 123.900 0.120 1
1 282 . 18 1 1 A 23 23 THR H H 23 9.104 8.287 0.817 1
1 283 . 18 1 1 A 23 23 THR HA H 23 4.597 4.721 -0.124 1
1 288 . 18 1 1 A 23 23 THR C C 23 175.820 175.963 -0.143 1
1 289 . 18 1 1 A 23 23 THR CA C 23 61.139 60.394 0.745 1
1 290 . 18 1 1 A 23 23 THR CB C 23 71.396 71.527 -0.131 1
1 292 . 18 1 1 A 23 23 THR N N 23 120.184 117.627 2.557 1
1 293 . 18 1 1 A 24 24 GLU H H 24 9.011 9.014 -0.003 1
1 294 . 18 1 1 A 24 24 GLU HA H 24 3.965 4.009 -0.044 1
1 299 . 18 1 1 A 24 24 GLU C C 24 180.012 178.887 1.125 1
1 300 . 18 1 1 A 24 24 GLU CA C 24 60.049 59.989 0.060 1
1 301 . 18 1 1 A 24 24 GLU CB C 24 29.095 29.186 -0.091 1
1 303 . 18 1 1 A 24 24 GLU N N 24 120.289 121.508 -1.219 1
1 304 . 18 1 1 A 25 25 GLU H H 25 8.917 8.360 0.557 1
1 305 . 18 1 1 A 25 25 GLU HA H 25 4.116 4.040 0.076 1
1 310 . 18 1 1 A 25 25 GLU C C 25 180.164 179.402 0.762 1
1 311 . 18 1 1 A 25 25 GLU CA C 25 60.042 59.541 0.501 1
1 312 . 18 1 1 A 25 25 GLU CB C 25 29.131 29.069 0.062 1
1 314 . 18 1 1 A 25 25 GLU N N 25 120.676 119.999 0.677 1
1 315 . 18 1 1 A 26 26 GLU H H 26 7.837 7.899 -0.062 1
1 316 . 18 1 1 A 26 26 GLU HA H 26 4.074 4.066 0.008 1
1 321 . 18 1 1 A 26 26 GLU C C 26 179.093 179.313 -0.220 1
1 322 . 18 1 1 A 26 26 GLU CA C 26 58.684 59.032 -0.348 1
1 323 . 18 1 1 A 26 26 GLU CB C 26 30.606 29.244 1.362 1
1 325 . 18 1 1 A 26 26 GLU N N 26 121.997 118.290 3.707 1
1 326 . 18 1 1 A 27 27 LYS H H 27 8.659 8.492 0.167 1
1 327 . 18 1 1 A 27 27 LYS HA H 27 3.964 4.023 -0.059 1
1 336 . 18 1 1 A 27 27 LYS C C 27 179.776 179.077 0.699 1
1 337 . 18 1 1 A 27 27 LYS CA C 27 60.129 59.277 0.852 1
1 338 . 18 1 1 A 27 27 LYS CB C 27 32.537 31.984 0.553 1
1 342 . 18 1 1 A 27 27 LYS N N 27 121.367 119.106 2.261 1
1 343 . 18 1 1 A 28 28 ALA H H 28 7.648 8.279 -0.631 1
1 344 . 18 1 1 A 28 28 ALA HA H 28 4.216 3.971 0.245 1
1 348 . 18 1 1 A 28 28 ALA C C 28 180.525 178.977 1.548 1
1 349 . 18 1 1 A 28 28 ALA CA C 28 55.014 55.479 -0.465 1
1 350 . 18 1 1 A 28 28 ALA CB C 28 17.610 18.294 -0.684 1
1 351 . 18 1 1 A 28 28 ALA N N 28 122.685 122.321 0.364 1
1 352 . 18 1 1 A 29 29 GLU H H 29 7.915 8.147 -0.232 1
1 353 . 18 1 1 A 29 29 GLU HA H 29 3.971 4.021 -0.050 1
1 358 . 18 1 1 A 29 29 GLU C C 29 178.193 178.641 -0.448 1
1 359 . 18 1 1 A 29 29 GLU CA C 29 59.269 59.700 -0.431 1
1 360 . 18 1 1 A 29 29 GLU CB C 29 29.467 29.068 0.399 1
1 362 . 18 1 1 A 29 29 GLU N N 29 122.691 118.128 4.563 1
1 363 . 18 1 1 A 30 30 GLN H H 30 8.891 8.361 0.530 1
1 364 . 18 1 1 A 30 30 GLN HA H 30 3.805 3.986 -0.181 1
1 371 . 18 1 1 A 30 30 GLN C C 30 177.828 178.521 -0.693 1
1 372 . 18 1 1 A 30 30 GLN CA C 30 59.703 59.233 0.470 1
1 373 . 18 1 1 A 30 30 GLN CB C 30 29.404 27.993 1.411 1
1 376 . 18 1 1 A 30 30 GLN N N 30 119.325 119.024 0.301 1
1 378 . 18 1 1 A 31 31 GLN H H 31 7.874 8.055 -0.181 1
1 379 . 18 1 1 A 31 31 GLN HA H 31 4.085 4.009 0.076 1
1 386 . 18 1 1 A 31 31 GLN C C 31 178.371 178.304 0.067 1
1 387 . 18 1 1 A 31 31 GLN CA C 31 58.842 59.025 -0.183 1
1 388 . 18 1 1 A 31 31 GLN CB C 31 28.283 28.510 -0.227 1
1 391 . 18 1 1 A 31 31 GLN N N 31 118.010 118.981 -0.971 1
1 393 . 18 1 1 A 32 32 LYS H H 32 7.739 7.881 -0.142 1
1 394 . 18 1 1 A 32 32 LYS HA H 32 4.096 4.072 0.024 1
1 403 . 18 1 1 A 32 32 LYS C C 32 179.952 179.168 0.784 1
1 404 . 18 1 1 A 32 32 LYS CA C 32 59.708 59.383 0.325 1
1 405 . 18 1 1 A 32 32 LYS CB C 32 32.403 31.995 0.408 1
1 409 . 18 1 1 A 32 32 LYS N N 32 120.842 120.228 0.614 1
1 410 . 18 1 1 A 33 33 LEU H H 33 8.617 8.734 -0.117 1
1 411 . 18 1 1 A 33 33 LEU HA H 33 4.153 3.966 0.187 1
1 421 . 18 1 1 A 33 33 LEU C C 33 179.446 179.236 0.210 1
1 422 . 18 1 1 A 33 33 LEU CA C 33 57.774 58.036 -0.262 1
1 423 . 18 1 1 A 33 33 LEU CB C 33 42.585 41.292 1.293 1
1 427 . 18 1 1 A 33 33 LEU N N 33 120.088 119.464 0.624 1
1 428 . 18 1 1 A 34 34 ARG H H 34 8.413 8.372 0.041 1
1 429 . 18 1 1 A 34 34 ARG HA H 34 4.009 4.016 -0.007 1
1 436 . 18 1 1 A 34 34 ARG C C 34 178.614 178.973 -0.359 1
1 437 . 18 1 1 A 34 34 ARG CA C 34 59.839 59.402 0.437 1
1 438 . 18 1 1 A 34 34 ARG CB C 34 29.772 29.674 0.098 1
1 441 . 18 1 1 A 34 34 ARG N N 34 119.206 119.453 -0.247 1
1 442 . 18 1 1 A 35 35 GLN H H 35 7.850 7.983 -0.133 1
1 443 . 18 1 1 A 35 35 GLN HA H 35 4.085 4.070 0.015 1
1 450 . 18 1 1 A 35 35 GLN C C 35 178.621 179.185 -0.564 1
1 451 . 18 1 1 A 35 35 GLN CA C 35 58.771 58.897 -0.126 1
1 452 . 18 1 1 A 35 35 GLN CB C 35 28.331 28.677 -0.346 1
1 455 . 18 1 1 A 35 35 GLN N N 35 117.434 119.224 -1.790 1
1 457 . 18 1 1 A 36 36 GLU H H 36 7.939 8.105 -0.166 1
1 458 . 18 1 1 A 36 36 GLU HA H 36 4.015 4.033 -0.018 1
1 463 . 18 1 1 A 36 36 GLU C C 36 178.975 179.018 -0.043 1
1 464 . 18 1 1 A 36 36 GLU CA C 36 59.271 59.460 -0.189 1
1 465 . 18 1 1 A 36 36 GLU CB C 36 29.750 29.500 0.250 1
1 467 . 18 1 1 A 36 36 GLU N N 36 119.554 120.445 -0.891 1
1 468 . 18 1 1 A 37 37 TYR H H 37 8.578 7.850 0.728 1
1 469 . 18 1 1 A 37 37 TYR HA H 37 4.164 4.194 -0.030 1
1 476 . 18 1 1 A 37 37 TYR C C 37 177.550 177.237 0.313 1
1 477 . 18 1 1 A 37 37 TYR CA C 37 60.590 61.300 -0.710 1
1 478 . 18 1 1 A 37 37 TYR CB C 37 38.709 38.656 0.053 1
1 483 . 18 1 1 A 37 37 TYR N N 37 120.782 121.649 -0.867 1
1 484 . 18 1 1 A 38 38 LEU H H 38 8.229 8.008 0.221 1
1 485 . 18 1 1 A 38 38 LEU HA H 38 4.072 4.306 -0.234 1
1 495 . 18 1 1 A 38 38 LEU C C 38 178.983 176.924 2.059 1
1 496 . 18 1 1 A 38 38 LEU CA C 38 57.053 55.667 1.386 1
1 497 . 18 1 1 A 38 38 LEU CB C 38 42.020 41.449 0.571 1
1 501 . 18 1 1 A 38 38 LEU N N 38 119.275 119.508 -0.233 1
1 502 . 18 1 1 A 39 39 LYS H H 39 7.790 7.124 0.666 1
1 503 . 18 1 1 A 39 39 LYS HA H 39 4.152 4.130 0.022 1
1 512 . 18 1 1 A 39 39 LYS C C 39 178.123 177.500 0.623 1
1 513 . 18 1 1 A 39 39 LYS CA C 39 58.197 58.404 -0.207 1
1 514 . 18 1 1 A 39 39 LYS CB C 39 32.466 32.050 0.416 1
1 518 . 18 1 1 A 39 39 LYS N N 39 118.917 120.369 -1.452 1
1 519 . 18 1 1 A 40 40 GLY H H 40 7.885 8.965 -1.080 1
1 520 . 18 1 1 A 40 40 GLY HA2 H 40 3.970 3.913 0.057 1
1 521 . 18 1 1 A 40 40 GLY HA3 H 40 3.768 3.925 -0.157 1
1 522 . 18 1 1 A 40 40 GLY C C 40 174.349 174.473 -0.124 1
1 523 . 18 1 1 A 40 40 GLY CA C 40 45.758 45.778 -0.020 1
1 524 . 18 1 1 A 40 40 GLY N N 40 106.796 112.796 -6.000 1
1 525 . 18 1 1 A 41 41 PHE H H 41 7.859 7.997 -0.138 1
1 526 . 18 1 1 A 41 41 PHE HA H 41 4.455 4.249 0.206 1
1 534 . 18 1 1 A 41 41 PHE C C 41 176.028 175.680 0.348 1
1 535 . 18 1 1 A 41 41 PHE CA C 41 58.735 58.452 0.283 1
1 536 . 18 1 1 A 41 41 PHE CB C 41 39.408 39.341 0.067 1
1 542 . 18 1 1 A 41 41 PHE N N 41 120.317 122.655 -2.338 1
1 543 . 18 1 1 A 42 42 ARG H H 42 8.044 9.239 -1.195 1
1 544 . 18 1 1 A 42 42 ARG HA H 42 4.269 3.747 0.522 1
1 551 . 18 1 1 A 42 42 ARG C C 42 176.487 175.929 0.558 1
1 552 . 18 1 1 A 42 42 ARG CA C 42 56.505 57.072 -0.567 1
1 553 . 18 1 1 A 42 42 ARG CB C 42 30.801 27.519 3.282 1
1 556 . 18 1 1 A 42 42 ARG N N 42 121.581 127.207 -5.626 1
1 557 . 18 1 1 A 43 43 SER H H 43 8.218 8.506 -0.288 1
1 558 . 18 1 1 A 43 43 SER HA H 43 4.389 4.408 -0.019 1
1 561 . 18 1 1 A 43 43 SER C C 43 174.872 174.038 0.834 1
1 562 . 18 1 1 A 43 43 SER CA C 43 58.809 59.900 -1.091 1
1 563 . 18 1 1 A 43 43 SER CB C 43 63.615 61.460 2.155 1
1 564 . 18 1 1 A 43 43 SER N N 43 116.338 112.038 4.300 1
1 565 . 18 1 1 A 44 44 SER H H 44 8.247 8.322 -0.075 1
1 566 . 18 1 1 A 44 44 SER HA H 44 4.441 4.462 -0.021 1
1 569 . 18 1 1 A 44 44 SER C C 44 174.653 174.095 0.558 1
1 570 . 18 1 1 A 44 44 SER CA C 44 58.697 59.595 -0.898 1
1 571 . 18 1 1 A 44 44 SER CB C 44 63.743 62.705 1.038 1
1 572 . 18 1 1 A 44 44 SER N N 44 117.375 116.185 1.190 1
1 573 . 18 1 1 A 45 45 MET H H 45 8.194 8.494 -0.300 1
1 574 . 18 1 1 A 45 45 MET HA H 45 4.417 4.479 -0.062 1
1 579 . 18 1 1 A 45 45 MET C C 45 176.033 175.844 0.189 1
1 580 . 18 1 1 A 45 45 MET CA C 45 55.795 57.042 -1.247 1
1 581 . 18 1 1 A 45 45 MET CB C 45 32.840 33.256 -0.416 1
1 583 . 18 1 1 A 45 45 MET N N 45 122.021 125.445 -3.424 1
1 584 . 18 1 1 A 46 46 LYS H H 46 8.220 7.842 0.378 1
1 585 . 18 1 1 A 46 46 LYS HA H 46 4.276 3.855 0.421 1
1 594 . 18 1 1 A 46 46 LYS C C 46 176.299 174.565 1.734 1
1 595 . 18 1 1 A 46 46 LYS CA C 46 56.399 57.489 -1.090 1
1 596 . 18 1 1 A 46 46 LYS CB C 46 32.834 29.264 3.570 1
1 600 . 18 1 1 A 46 46 LYS N N 46 122.277 115.870 6.407 1
1 601 . 18 1 1 A 47 47 LEU H H 47 8.210 7.848 0.362 1
1 602 . 18 1 1 A 47 47 LEU HA H 47 4.299 4.592 -0.293 1
1 612 . 18 1 1 A 47 47 LEU C C 47 177.189 175.816 1.373 1
1 613 . 18 1 1 A 47 47 LEU CA C 47 55.134 54.488 0.646 1
1 614 . 18 1 1 A 47 47 LEU CB C 47 42.301 43.238 -0.937 1
1 618 . 18 1 1 A 47 47 LEU N N 47 123.549 121.488 2.061 1
1 9 . 19 1 1 A 2 2 ILE HA H 2 4.350 4.604 -0.254 1
1 19 . 19 1 1 A 2 2 ILE C C 2 174.508 174.910 -0.402 1
1 20 . 19 1 1 A 2 2 ILE CA C 2 61.095 60.279 0.816 1
1 21 . 19 1 1 A 2 2 ILE CB C 2 39.193 39.663 -0.470 1
1 25 . 19 1 1 A 3 3 SER H H 3 8.112 8.767 -0.655 1
1 26 . 19 1 1 A 3 3 SER HA H 3 4.414 4.603 -0.189 1
1 29 . 19 1 1 A 3 3 SER C C 3 174.652 175.655 -1.003 1
1 30 . 19 1 1 A 3 3 SER CA C 3 57.714 58.151 -0.437 1
1 31 . 19 1 1 A 3 3 SER CB C 3 64.725 64.125 0.600 1
1 32 . 19 1 1 A 3 3 SER N N 3 119.280 124.483 -5.203 1
1 33 . 19 1 1 A 4 4 ASN H H 4 8.832 9.058 -0.226 1
1 34 . 19 1 1 A 4 4 ASN HA H 4 4.511 4.508 0.003 1
1 39 . 19 1 1 A 4 4 ASN C C 4 177.606 177.595 0.011 1
1 40 . 19 1 1 A 4 4 ASN CA C 4 55.617 56.073 -0.456 1
1 41 . 19 1 1 A 4 4 ASN CB C 4 37.972 38.143 -0.171 1
1 43 . 19 1 1 A 4 4 ASN N N 4 120.760 126.211 -5.451 1
1 45 . 19 1 1 A 5 5 ALA H H 5 8.504 8.142 0.362 1
1 46 . 19 1 1 A 5 5 ALA HA H 5 4.191 4.039 0.152 1
1 50 . 19 1 1 A 5 5 ALA C C 5 180.504 179.343 1.161 1
1 51 . 19 1 1 A 5 5 ALA CA C 5 54.896 55.176 -0.280 1
1 52 . 19 1 1 A 5 5 ALA CB C 5 18.468 18.364 0.104 1
1 53 . 19 1 1 A 5 5 ALA N N 5 123.401 122.566 0.835 1
1 54 . 19 1 1 A 6 6 LYS H H 6 7.844 7.894 -0.050 1
1 55 . 19 1 1 A 6 6 LYS HA H 6 4.119 4.155 -0.036 1
1 64 . 19 1 1 A 6 6 LYS C C 6 178.320 179.722 -1.402 1
1 65 . 19 1 1 A 6 6 LYS CA C 6 59.550 59.495 0.055 1
1 66 . 19 1 1 A 6 6 LYS CB C 6 32.639 32.521 0.118 1
1 70 . 19 1 1 A 6 6 LYS N N 6 119.908 117.436 2.472 1
1 71 . 19 1 1 A 7 7 ILE H H 7 7.887 7.900 -0.013 1
1 72 . 19 1 1 A 7 7 ILE HA H 7 3.615 3.634 -0.019 1
1 82 . 19 1 1 A 7 7 ILE C C 7 177.784 177.510 0.274 1
1 83 . 19 1 1 A 7 7 ILE CA C 7 64.351 65.480 -1.129 1
1 84 . 19 1 1 A 7 7 ILE CB C 7 37.623 38.008 -0.385 1
1 88 . 19 1 1 A 7 7 ILE N N 7 120.487 120.687 -0.200 1
1 89 . 19 1 1 A 8 8 ALA H H 8 8.062 8.486 -0.424 1
1 90 . 19 1 1 A 8 8 ALA HA H 8 4.160 3.906 0.254 1
1 94 . 19 1 1 A 8 8 ALA C C 8 180.625 179.230 1.395 1
1 95 . 19 1 1 A 8 8 ALA CA C 8 55.102 55.299 -0.197 1
1 96 . 19 1 1 A 8 8 ALA CB C 8 17.517 18.157 -0.640 1
1 97 . 19 1 1 A 8 8 ALA N N 8 121.576 121.833 -0.257 1
1 98 . 19 1 1 A 9 9 ARG H H 9 7.769 7.873 -0.104 1
1 99 . 19 1 1 A 9 9 ARG HA H 9 4.226 4.121 0.105 1
1 107 . 19 1 1 A 9 9 ARG C C 9 178.076 178.850 -0.774 1
1 108 . 19 1 1 A 9 9 ARG CA C 9 57.517 58.764 -1.247 1
1 109 . 19 1 1 A 9 9 ARG CB C 9 29.638 29.980 -0.342 1
1 112 . 19 1 1 A 9 9 ARG N N 9 120.694 118.441 2.253 1
1 114 . 19 1 1 A 10 10 ILE H H 10 8.462 8.248 0.214 1
1 115 . 19 1 1 A 10 10 ILE HA H 10 3.576 3.591 -0.015 1
1 125 . 19 1 1 A 10 10 ILE C C 10 179.221 178.131 1.090 1
1 126 . 19 1 1 A 10 10 ILE CA C 10 66.414 65.428 0.986 1
1 127 . 19 1 1 A 10 10 ILE CB C 10 37.872 37.831 0.041 1
1 131 . 19 1 1 A 10 10 ILE N N 10 121.475 119.854 1.621 1
1 132 . 19 1 1 A 11 11 ASN H H 11 8.161 7.895 0.266 1
1 133 . 19 1 1 A 11 11 ASN HA H 11 4.485 4.453 0.032 1
1 138 . 19 1 1 A 11 11 ASN C C 11 178.124 177.934 0.190 1
1 139 . 19 1 1 A 11 11 ASN CA C 11 55.961 56.359 -0.398 1
1 140 . 19 1 1 A 11 11 ASN CB C 11 37.642 37.999 -0.357 1
1 142 . 19 1 1 A 11 11 ASN N N 11 119.357 117.885 1.472 1
1 144 . 19 1 1 A 12 12 GLU H H 12 8.528 8.413 0.115 1
1 145 . 19 1 1 A 12 12 GLU HA H 12 4.111 4.032 0.079 1
1 150 . 19 1 1 A 12 12 GLU C C 12 179.650 179.381 0.269 1
1 151 . 19 1 1 A 12 12 GLU CA C 12 59.252 59.176 0.076 1
1 152 . 19 1 1 A 12 12 GLU CB C 12 30.026 29.453 0.573 1
1 154 . 19 1 1 A 12 12 GLU N N 12 124.689 119.755 4.934 1
1 155 . 19 1 1 A 13 13 LEU H H 13 8.669 8.574 0.095 1
1 156 . 19 1 1 A 13 13 LEU HA H 13 3.948 4.160 -0.212 1
1 166 . 19 1 1 A 13 13 LEU C C 13 178.491 179.198 -0.707 1
1 167 . 19 1 1 A 13 13 LEU CA C 13 57.835 57.544 0.291 1
1 168 . 19 1 1 A 13 13 LEU CB C 13 41.160 41.094 0.066 1
1 172 . 19 1 1 A 13 13 LEU N N 13 119.467 120.078 -0.611 1
1 173 . 19 1 1 A 14 14 ALA H H 14 8.326 8.470 -0.144 1
1 174 . 19 1 1 A 14 14 ALA HA H 14 4.076 4.006 0.070 1
1 178 . 19 1 1 A 14 14 ALA C C 14 180.903 179.135 1.768 1
1 179 . 19 1 1 A 14 14 ALA CA C 14 55.100 55.481 -0.381 1
1 180 . 19 1 1 A 14 14 ALA CB C 14 17.838 17.885 -0.047 1
1 181 . 19 1 1 A 14 14 ALA N N 14 122.290 122.519 -0.229 1
1 182 . 19 1 1 A 15 15 ALA H H 15 7.794 8.171 -0.377 1
1 183 . 19 1 1 A 15 15 ALA HA H 15 4.176 3.979 0.197 1
1 187 . 19 1 1 A 15 15 ALA C C 15 181.255 180.176 1.079 1
1 188 . 19 1 1 A 15 15 ALA CA C 15 55.196 55.459 -0.263 1
1 189 . 19 1 1 A 15 15 ALA CB C 15 17.568 18.280 -0.712 1
1 190 . 19 1 1 A 15 15 ALA N N 15 121.829 120.265 1.564 1
1 191 . 19 1 1 A 16 16 LYS H H 16 7.977 8.052 -0.075 1
1 192 . 19 1 1 A 16 16 LYS HA H 16 4.026 4.034 -0.008 1
1 201 . 19 1 1 A 16 16 LYS C C 16 179.086 179.067 0.019 1
1 202 . 19 1 1 A 16 16 LYS CA C 16 59.878 59.224 0.654 1
1 203 . 19 1 1 A 16 16 LYS CB C 16 32.727 32.236 0.491 1
1 207 . 19 1 1 A 16 16 LYS N N 16 120.084 116.848 3.236 1
1 208 . 19 1 1 A 17 17 ALA H H 17 8.527 8.247 0.280 1
1 209 . 19 1 1 A 17 17 ALA HA H 17 4.026 4.070 -0.044 1
1 213 . 19 1 1 A 17 17 ALA C C 17 181.147 179.504 1.643 1
1 214 . 19 1 1 A 17 17 ALA CA C 17 54.993 55.154 -0.161 1
1 215 . 19 1 1 A 17 17 ALA CB C 17 17.858 18.165 -0.307 1
1 216 . 19 1 1 A 17 17 ALA N N 17 123.164 123.018 0.146 1
1 217 . 19 1 1 A 18 18 LYS H H 18 8.125 8.197 -0.072 1
1 218 . 19 1 1 A 18 18 LYS HA H 18 4.053 4.022 0.031 1
1 227 . 19 1 1 A 18 18 LYS C C 18 177.994 178.837 -0.843 1
1 228 . 19 1 1 A 18 18 LYS CA C 18 58.961 59.084 -0.123 1
1 229 . 19 1 1 A 18 18 LYS CB C 18 32.400 32.019 0.381 1
1 233 . 19 1 1 A 18 18 LYS N N 18 120.927 116.651 4.276 1
1 234 . 19 1 1 A 19 19 ALA H H 19 7.659 7.654 0.005 1
1 235 . 19 1 1 A 19 19 ALA HA H 19 4.355 4.283 0.072 1
1 239 . 19 1 1 A 19 19 ALA C C 19 177.769 177.866 -0.097 1
1 240 . 19 1 1 A 19 19 ALA CA C 19 52.453 52.442 0.011 1
1 241 . 19 1 1 A 19 19 ALA CB C 19 19.483 19.659 -0.176 1
1 242 . 19 1 1 A 19 19 ALA N N 19 118.300 118.507 -0.207 1
1 243 . 19 1 1 A 20 20 GLY H H 20 7.758 8.074 -0.316 1
1 244 . 19 1 1 A 20 20 GLY HA2 H 20 4.180 3.970 0.210 1
1 245 . 19 1 1 A 20 20 GLY HA3 H 20 3.947 3.971 -0.024 1
1 246 . 19 1 1 A 20 20 GLY C C 20 175.031 174.836 0.195 1
1 247 . 19 1 1 A 20 20 GLY CA C 20 45.907 45.434 0.473 1
1 248 . 19 1 1 A 20 20 GLY N N 20 105.949 106.413 -0.464 1
1 249 . 19 1 1 A 21 21 VAL H H 21 7.678 7.674 0.004 1
1 250 . 19 1 1 A 21 21 VAL HA H 21 4.608 4.268 0.340 1
1 258 . 19 1 1 A 21 21 VAL C C 21 175.837 175.373 0.464 1
1 259 . 19 1 1 A 21 21 VAL CA C 21 60.158 61.717 -1.559 1
1 260 . 19 1 1 A 21 21 VAL CB C 21 32.525 31.970 0.555 1
1 263 . 19 1 1 A 21 21 VAL N N 21 109.739 117.540 -7.801 1
1 264 . 19 1 1 A 22 22 ILE H H 22 6.842 7.463 -0.621 1
1 265 . 19 1 1 A 22 22 ILE HA H 22 4.347 4.381 -0.034 1
1 275 . 19 1 1 A 22 22 ILE C C 22 174.145 175.461 -1.316 1
1 276 . 19 1 1 A 22 22 ILE CA C 22 61.285 60.592 0.693 1
1 277 . 19 1 1 A 22 22 ILE CB C 22 40.142 39.478 0.664 1
1 281 . 19 1 1 A 22 22 ILE N N 22 124.020 124.519 -0.499 1
1 282 . 19 1 1 A 23 23 THR H H 23 9.104 8.648 0.456 1
1 283 . 19 1 1 A 23 23 THR HA H 23 4.597 4.728 -0.131 1
1 288 . 19 1 1 A 23 23 THR C C 23 175.820 175.968 -0.148 1
1 289 . 19 1 1 A 23 23 THR CA C 23 61.139 60.591 0.548 1
1 290 . 19 1 1 A 23 23 THR CB C 23 71.396 71.381 0.015 1
1 292 . 19 1 1 A 23 23 THR N N 23 120.184 118.067 2.117 1
1 293 . 19 1 1 A 24 24 GLU H H 24 9.011 9.011 0.000 1
1 294 . 19 1 1 A 24 24 GLU HA H 24 3.965 4.022 -0.057 1
1 299 . 19 1 1 A 24 24 GLU C C 24 180.012 178.985 1.027 1
1 300 . 19 1 1 A 24 24 GLU CA C 24 60.049 60.241 -0.192 1
1 301 . 19 1 1 A 24 24 GLU CB C 24 29.095 29.536 -0.441 1
1 303 . 19 1 1 A 24 24 GLU N N 24 120.289 121.445 -1.156 1
1 304 . 19 1 1 A 25 25 GLU H H 25 8.917 8.268 0.649 1
1 305 . 19 1 1 A 25 25 GLU HA H 25 4.116 4.054 0.062 1
1 310 . 19 1 1 A 25 25 GLU C C 25 180.164 178.930 1.234 1
1 311 . 19 1 1 A 25 25 GLU CA C 25 60.042 59.637 0.405 1
1 312 . 19 1 1 A 25 25 GLU CB C 25 29.131 29.216 -0.085 1
1 314 . 19 1 1 A 25 25 GLU N N 25 120.676 119.314 1.362 1
1 315 . 19 1 1 A 26 26 GLU H H 26 7.837 7.730 0.107 1
1 316 . 19 1 1 A 26 26 GLU HA H 26 4.074 4.095 -0.021 1
1 321 . 19 1 1 A 26 26 GLU C C 26 179.093 179.194 -0.101 1
1 322 . 19 1 1 A 26 26 GLU CA C 26 58.684 59.127 -0.443 1
1 323 . 19 1 1 A 26 26 GLU CB C 26 30.606 29.557 1.049 1
1 325 . 19 1 1 A 26 26 GLU N N 26 121.997 119.105 2.892 1
1 326 . 19 1 1 A 27 27 LYS H H 27 8.659 8.077 0.582 1
1 327 . 19 1 1 A 27 27 LYS HA H 27 3.964 4.035 -0.071 1
1 336 . 19 1 1 A 27 27 LYS C C 27 179.776 178.880 0.896 1
1 337 . 19 1 1 A 27 27 LYS CA C 27 60.129 59.424 0.705 1
1 338 . 19 1 1 A 27 27 LYS CB C 27 32.537 32.477 0.060 1
1 342 . 19 1 1 A 27 27 LYS N N 27 121.367 119.625 1.742 1
1 343 . 19 1 1 A 28 28 ALA H H 28 7.648 8.482 -0.834 1
1 344 . 19 1 1 A 28 28 ALA HA H 28 4.216 4.114 0.102 1
1 348 . 19 1 1 A 28 28 ALA C C 28 180.525 179.117 1.408 1
1 349 . 19 1 1 A 28 28 ALA CA C 28 55.014 55.087 -0.073 1
1 350 . 19 1 1 A 28 28 ALA CB C 28 17.610 18.402 -0.792 1
1 351 . 19 1 1 A 28 28 ALA N N 28 122.685 122.057 0.628 1
1 352 . 19 1 1 A 29 29 GLU H H 29 7.915 8.128 -0.213 1
1 353 . 19 1 1 A 29 29 GLU HA H 29 3.971 4.053 -0.082 1
1 358 . 19 1 1 A 29 29 GLU C C 29 178.193 178.419 -0.226 1
1 359 . 19 1 1 A 29 29 GLU CA C 29 59.269 59.461 -0.192 1
1 360 . 19 1 1 A 29 29 GLU CB C 29 29.467 29.257 0.210 1
1 362 . 19 1 1 A 29 29 GLU N N 29 122.691 118.388 4.303 1
1 363 . 19 1 1 A 30 30 GLN H H 30 8.891 8.501 0.390 1
1 364 . 19 1 1 A 30 30 GLN HA H 30 3.805 4.001 -0.196 1
1 371 . 19 1 1 A 30 30 GLN C C 30 177.828 178.390 -0.562 1
1 372 . 19 1 1 A 30 30 GLN CA C 30 59.703 59.039 0.664 1
1 373 . 19 1 1 A 30 30 GLN CB C 30 29.404 28.246 1.158 1
1 376 . 19 1 1 A 30 30 GLN N N 30 119.325 118.764 0.561 1
1 378 . 19 1 1 A 31 31 GLN H H 31 7.874 7.987 -0.113 1
1 379 . 19 1 1 A 31 31 GLN HA H 31 4.085 4.001 0.084 1
1 386 . 19 1 1 A 31 31 GLN C C 31 178.371 178.618 -0.247 1
1 387 . 19 1 1 A 31 31 GLN CA C 31 58.842 59.114 -0.272 1
1 388 . 19 1 1 A 31 31 GLN CB C 31 28.283 28.155 0.128 1
1 391 . 19 1 1 A 31 31 GLN N N 31 118.010 119.344 -1.334 1
1 393 . 19 1 1 A 32 32 LYS H H 32 7.739 7.591 0.148 1
1 394 . 19 1 1 A 32 32 LYS HA H 32 4.096 4.215 -0.119 1
1 403 . 19 1 1 A 32 32 LYS C C 32 179.952 179.042 0.910 1
1 404 . 19 1 1 A 32 32 LYS CA C 32 59.708 58.957 0.751 1
1 405 . 19 1 1 A 32 32 LYS CB C 32 32.403 32.170 0.233 1
1 409 . 19 1 1 A 32 32 LYS N N 32 120.842 120.512 0.330 1
1 410 . 19 1 1 A 33 33 LEU H H 33 8.617 8.715 -0.098 1
1 411 . 19 1 1 A 33 33 LEU HA H 33 4.153 3.997 0.156 1
1 421 . 19 1 1 A 33 33 LEU C C 33 179.446 179.235 0.211 1
1 422 . 19 1 1 A 33 33 LEU CA C 33 57.774 58.042 -0.268 1
1 423 . 19 1 1 A 33 33 LEU CB C 33 42.585 41.398 1.187 1
1 427 . 19 1 1 A 33 33 LEU N N 33 120.088 119.514 0.574 1
1 428 . 19 1 1 A 34 34 ARG H H 34 8.413 8.309 0.104 1
1 429 . 19 1 1 A 34 34 ARG HA H 34 4.009 4.038 -0.029 1
1 436 . 19 1 1 A 34 34 ARG C C 34 178.614 179.048 -0.434 1
1 437 . 19 1 1 A 34 34 ARG CA C 34 59.839 59.674 0.165 1
1 438 . 19 1 1 A 34 34 ARG CB C 34 29.772 29.771 0.001 1
1 441 . 19 1 1 A 34 34 ARG N N 34 119.206 119.427 -0.221 1
1 442 . 19 1 1 A 35 35 GLN H H 35 7.850 7.977 -0.127 1
1 443 . 19 1 1 A 35 35 GLN HA H 35 4.085 4.173 -0.088 1
1 450 . 19 1 1 A 35 35 GLN C C 35 178.621 178.872 -0.251 1
1 451 . 19 1 1 A 35 35 GLN CA C 35 58.771 58.942 -0.171 1
1 452 . 19 1 1 A 35 35 GLN CB C 35 28.331 28.322 0.009 1
1 455 . 19 1 1 A 35 35 GLN N N 35 117.434 119.285 -1.851 1
1 457 . 19 1 1 A 36 36 GLU H H 36 7.939 8.008 -0.069 1
1 458 . 19 1 1 A 36 36 GLU HA H 36 4.015 4.081 -0.066 1
1 463 . 19 1 1 A 36 36 GLU C C 36 178.975 178.622 0.353 1
1 464 . 19 1 1 A 36 36 GLU CA C 36 59.271 59.299 -0.028 1
1 465 . 19 1 1 A 36 36 GLU CB C 36 29.750 29.538 0.212 1
1 467 . 19 1 1 A 36 36 GLU N N 36 119.554 121.169 -1.615 1
1 468 . 19 1 1 A 37 37 TYR H H 37 8.578 8.354 0.224 1
1 469 . 19 1 1 A 37 37 TYR HA H 37 4.164 4.176 -0.012 1
1 476 . 19 1 1 A 37 37 TYR C C 37 177.550 177.078 0.472 1
1 477 . 19 1 1 A 37 37 TYR CA C 37 60.590 61.488 -0.898 1
1 478 . 19 1 1 A 37 37 TYR CB C 37 38.709 38.892 -0.183 1
1 483 . 19 1 1 A 37 37 TYR N N 37 120.782 122.040 -1.258 1
1 484 . 19 1 1 A 38 38 LEU H H 38 8.229 8.172 0.057 1
1 485 . 19 1 1 A 38 38 LEU HA H 38 4.072 4.270 -0.198 1
1 495 . 19 1 1 A 38 38 LEU C C 38 178.983 176.617 2.366 1
1 496 . 19 1 1 A 38 38 LEU CA C 38 57.053 57.145 -0.092 1
1 497 . 19 1 1 A 38 38 LEU CB C 38 42.020 42.594 -0.574 1
1 501 . 19 1 1 A 38 38 LEU N N 38 119.275 119.278 -0.003 1
1 502 . 19 1 1 A 39 39 LYS H H 39 7.790 8.456 -0.666 1
1 503 . 19 1 1 A 39 39 LYS HA H 39 4.152 3.938 0.214 1
1 512 . 19 1 1 A 39 39 LYS C C 39 178.123 176.512 1.611 1
1 513 . 19 1 1 A 39 39 LYS CA C 39 58.197 57.496 0.701 1
1 514 . 19 1 1 A 39 39 LYS CB C 39 32.466 30.112 2.354 1
1 518 . 19 1 1 A 39 39 LYS N N 39 118.917 116.960 1.957 1
1 519 . 19 1 1 A 40 40 GLY H H 40 7.885 8.399 -0.514 1
1 520 . 19 1 1 A 40 40 GLY HA2 H 40 3.970 3.912 0.058 1
1 521 . 19 1 1 A 40 40 GLY HA3 H 40 3.768 3.917 -0.149 1
1 522 . 19 1 1 A 40 40 GLY C C 40 174.349 174.396 -0.047 1
1 523 . 19 1 1 A 40 40 GLY CA C 40 45.758 45.192 0.566 1
1 524 . 19 1 1 A 40 40 GLY N N 40 106.796 106.026 0.770 1
1 525 . 19 1 1 A 41 41 PHE H H 41 7.859 7.932 -0.073 1
1 526 . 19 1 1 A 41 41 PHE HA H 41 4.455 4.455 0.000 1
1 534 . 19 1 1 A 41 41 PHE C C 41 176.028 174.597 1.431 1
1 535 . 19 1 1 A 41 41 PHE CA C 41 58.735 56.582 2.153 1
1 536 . 19 1 1 A 41 41 PHE CB C 41 39.408 38.827 0.581 1
1 542 . 19 1 1 A 41 41 PHE N N 41 120.317 121.974 -1.657 1
1 543 . 19 1 1 A 42 42 ARG H H 42 8.044 8.365 -0.321 1
1 544 . 19 1 1 A 42 42 ARG HA H 42 4.269 4.517 -0.248 1
1 551 . 19 1 1 A 42 42 ARG C C 42 176.487 176.087 0.400 1
1 552 . 19 1 1 A 42 42 ARG CA C 42 56.505 54.923 1.582 1
1 553 . 19 1 1 A 42 42 ARG CB C 42 30.801 29.826 0.975 1
1 556 . 19 1 1 A 42 42 ARG N N 42 121.581 128.661 -7.080 1
1 557 . 19 1 1 A 43 43 SER H H 43 8.218 8.852 -0.634 1
1 558 . 19 1 1 A 43 43 SER HA H 43 4.389 4.192 0.197 1
1 561 . 19 1 1 A 43 43 SER C C 43 174.872 174.238 0.634 1
1 562 . 19 1 1 A 43 43 SER CA C 43 58.809 58.241 0.568 1
1 563 . 19 1 1 A 43 43 SER CB C 43 63.615 63.430 0.185 1
1 564 . 19 1 1 A 43 43 SER N N 43 116.338 121.221 -4.883 1
1 565 . 19 1 1 A 44 44 SER H H 44 8.247 7.375 0.872 1
1 566 . 19 1 1 A 44 44 SER HA H 44 4.441 4.407 0.034 1
1 569 . 19 1 1 A 44 44 SER C C 44 174.653 173.729 0.924 1
1 570 . 19 1 1 A 44 44 SER CA C 44 58.697 58.183 0.514 1
1 571 . 19 1 1 A 44 44 SER CB C 44 63.743 64.090 -0.347 1
1 572 . 19 1 1 A 44 44 SER N N 44 117.375 116.930 0.445 1
1 573 . 19 1 1 A 45 45 MET H H 45 8.194 8.563 -0.369 1
1 574 . 19 1 1 A 45 45 MET HA H 45 4.417 4.934 -0.517 1
1 579 . 19 1 1 A 45 45 MET C C 45 176.033 174.207 1.826 1
1 580 . 19 1 1 A 45 45 MET CA C 45 55.795 54.479 1.316 1
1 581 . 19 1 1 A 45 45 MET CB C 45 32.840 35.859 -3.019 1
1 583 . 19 1 1 A 45 45 MET N N 45 122.021 122.647 -0.626 1
1 584 . 19 1 1 A 46 46 LYS H H 46 8.220 8.351 -0.131 1
1 585 . 19 1 1 A 46 46 LYS HA H 46 4.276 4.376 -0.100 1
1 594 . 19 1 1 A 46 46 LYS C C 46 176.299 175.779 0.520 1
1 595 . 19 1 1 A 46 46 LYS CA C 46 56.399 55.887 0.512 1
1 596 . 19 1 1 A 46 46 LYS CB C 46 32.834 31.314 1.520 1
1 600 . 19 1 1 A 46 46 LYS N N 46 122.277 125.462 -3.185 1
1 601 . 19 1 1 A 47 47 LEU H H 47 8.210 7.918 0.292 1
1 602 . 19 1 1 A 47 47 LEU HA H 47 4.299 5.052 -0.753 1
1 612 . 19 1 1 A 47 47 LEU C C 47 177.189 175.762 1.427 1
1 613 . 19 1 1 A 47 47 LEU CA C 47 55.134 52.836 2.298 1
1 614 . 19 1 1 A 47 47 LEU CB C 47 42.301 44.874 -2.573 1
1 618 . 19 1 1 A 47 47 LEU N N 47 123.549 122.825 0.724 1
1 9 . 20 1 1 A 2 2 ILE HA H 2 4.350 4.676 -0.326 1
1 19 . 20 1 1 A 2 2 ILE C C 2 174.508 174.379 0.129 1
1 20 . 20 1 1 A 2 2 ILE CA C 2 61.095 60.524 0.571 1
1 21 . 20 1 1 A 2 2 ILE CB C 2 39.193 39.569 -0.376 1
1 25 . 20 1 1 A 3 3 SER H H 3 8.112 8.329 -0.217 1
1 26 . 20 1 1 A 3 3 SER HA H 3 4.414 4.885 -0.471 1
1 29 . 20 1 1 A 3 3 SER C C 3 174.652 174.447 0.205 1
1 30 . 20 1 1 A 3 3 SER CA C 3 57.714 55.742 1.972 1
1 31 . 20 1 1 A 3 3 SER CB C 3 64.725 66.140 -1.415 1
1 32 . 20 1 1 A 3 3 SER N N 3 119.280 124.111 -4.831 1
1 33 . 20 1 1 A 4 4 ASN H H 4 8.832 9.212 -0.380 1
1 34 . 20 1 1 A 4 4 ASN HA H 4 4.511 4.450 0.061 1
1 39 . 20 1 1 A 4 4 ASN C C 4 177.606 177.606 0.000 1
1 40 . 20 1 1 A 4 4 ASN CA C 4 55.617 56.756 -1.139 1
1 41 . 20 1 1 A 4 4 ASN CB C 4 37.972 37.953 0.019 1
1 43 . 20 1 1 A 4 4 ASN N N 4 120.760 123.885 -3.125 1
1 45 . 20 1 1 A 5 5 ALA H H 5 8.504 8.159 0.345 1
1 46 . 20 1 1 A 5 5 ALA HA H 5 4.191 4.032 0.159 1
1 50 . 20 1 1 A 5 5 ALA C C 5 180.504 180.039 0.465 1
1 51 . 20 1 1 A 5 5 ALA CA C 5 54.896 54.978 -0.082 1
1 52 . 20 1 1 A 5 5 ALA CB C 5 18.468 18.250 0.218 1
1 53 . 20 1 1 A 5 5 ALA N N 5 123.401 122.588 0.813 1
1 54 . 20 1 1 A 6 6 LYS H H 6 7.844 7.783 0.061 1
1 55 . 20 1 1 A 6 6 LYS HA H 6 4.119 4.127 -0.008 1
1 64 . 20 1 1 A 6 6 LYS C C 6 178.320 179.441 -1.121 1
1 65 . 20 1 1 A 6 6 LYS CA C 6 59.550 58.983 0.567 1
1 66 . 20 1 1 A 6 6 LYS CB C 6 32.639 32.587 0.052 1
1 70 . 20 1 1 A 6 6 LYS N N 6 119.908 116.968 2.940 1
1 71 . 20 1 1 A 7 7 ILE H H 7 7.887 8.178 -0.291 1
1 72 . 20 1 1 A 7 7 ILE HA H 7 3.615 3.620 -0.005 1
1 82 . 20 1 1 A 7 7 ILE C C 7 177.784 177.702 0.082 1
1 83 . 20 1 1 A 7 7 ILE CA C 7 64.351 65.969 -1.618 1
1 84 . 20 1 1 A 7 7 ILE CB C 7 37.623 38.294 -0.671 1
1 88 . 20 1 1 A 7 7 ILE N N 7 120.487 120.855 -0.368 1
1 89 . 20 1 1 A 8 8 ALA H H 8 8.062 8.687 -0.625 1
1 90 . 20 1 1 A 8 8 ALA HA H 8 4.160 3.926 0.234 1
1 94 . 20 1 1 A 8 8 ALA C C 8 180.625 178.950 1.675 1
1 95 . 20 1 1 A 8 8 ALA CA C 8 55.102 55.783 -0.681 1
1 96 . 20 1 1 A 8 8 ALA CB C 8 17.517 18.482 -0.965 1
1 97 . 20 1 1 A 8 8 ALA N N 8 121.576 122.050 -0.474 1
1 98 . 20 1 1 A 9 9 ARG H H 9 7.769 7.615 0.154 1
1 99 . 20 1 1 A 9 9 ARG HA H 9 4.226 4.055 0.171 1
1 107 . 20 1 1 A 9 9 ARG C C 9 178.076 178.711 -0.635 1
1 108 . 20 1 1 A 9 9 ARG CA C 9 57.517 59.067 -1.550 1
1 109 . 20 1 1 A 9 9 ARG CB C 9 29.638 29.979 -0.341 1
1 112 . 20 1 1 A 9 9 ARG N N 9 120.694 118.259 2.435 1
1 114 . 20 1 1 A 10 10 ILE H H 10 8.462 8.138 0.324 1
1 115 . 20 1 1 A 10 10 ILE HA H 10 3.576 3.589 -0.013 1
1 125 . 20 1 1 A 10 10 ILE C C 10 179.221 177.929 1.292 1
1 126 . 20 1 1 A 10 10 ILE CA C 10 66.414 65.544 0.870 1
1 127 . 20 1 1 A 10 10 ILE CB C 10 37.872 37.725 0.147 1
1 131 . 20 1 1 A 10 10 ILE N N 10 121.475 119.769 1.706 1
1 132 . 20 1 1 A 11 11 ASN H H 11 8.161 8.273 -0.112 1
1 133 . 20 1 1 A 11 11 ASN HA H 11 4.485 4.414 0.071 1
1 138 . 20 1 1 A 11 11 ASN C C 11 178.124 177.987 0.137 1
1 139 . 20 1 1 A 11 11 ASN CA C 11 55.961 56.612 -0.651 1
1 140 . 20 1 1 A 11 11 ASN CB C 11 37.642 37.678 -0.036 1
1 142 . 20 1 1 A 11 11 ASN N N 11 119.357 118.407 0.950 1
1 144 . 20 1 1 A 12 12 GLU H H 12 8.528 8.165 0.363 1
1 145 . 20 1 1 A 12 12 GLU HA H 12 4.111 4.020 0.091 1
1 150 . 20 1 1 A 12 12 GLU C C 12 179.650 179.193 0.457 1
1 151 . 20 1 1 A 12 12 GLU CA C 12 59.252 59.114 0.138 1
1 152 . 20 1 1 A 12 12 GLU CB C 12 30.026 29.305 0.721 1
1 154 . 20 1 1 A 12 12 GLU N N 12 124.689 119.980 4.709 1
1 155 . 20 1 1 A 13 13 LEU H H 13 8.669 8.297 0.372 1
1 156 . 20 1 1 A 13 13 LEU HA H 13 3.948 4.006 -0.058 1
1 166 . 20 1 1 A 13 13 LEU C C 13 178.491 178.949 -0.458 1
1 167 . 20 1 1 A 13 13 LEU CA C 13 57.835 57.832 0.003 1
1 168 . 20 1 1 A 13 13 LEU CB C 13 41.160 41.083 0.077 1
1 172 . 20 1 1 A 13 13 LEU N N 13 119.467 120.068 -0.601 1
1 173 . 20 1 1 A 14 14 ALA H H 14 8.326 8.531 -0.205 1
1 174 . 20 1 1 A 14 14 ALA HA H 14 4.076 3.984 0.092 1
1 178 . 20 1 1 A 14 14 ALA C C 14 180.903 179.474 1.429 1
1 179 . 20 1 1 A 14 14 ALA CA C 14 55.100 55.413 -0.313 1
1 180 . 20 1 1 A 14 14 ALA CB C 14 17.838 18.090 -0.252 1
1 181 . 20 1 1 A 14 14 ALA N N 14 122.290 122.030 0.260 1
1 182 . 20 1 1 A 15 15 ALA H H 15 7.794 8.145 -0.351 1
1 183 . 20 1 1 A 15 15 ALA HA H 15 4.176 3.951 0.225 1
1 187 . 20 1 1 A 15 15 ALA C C 15 181.255 180.270 0.985 1
1 188 . 20 1 1 A 15 15 ALA CA C 15 55.196 55.156 0.040 1
1 189 . 20 1 1 A 15 15 ALA CB C 15 17.568 18.728 -1.160 1
1 190 . 20 1 1 A 15 15 ALA N N 15 121.829 119.828 2.001 1
1 191 . 20 1 1 A 16 16 LYS H H 16 7.977 8.055 -0.078 1
1 192 . 20 1 1 A 16 16 LYS HA H 16 4.026 4.002 0.024 1
1 201 . 20 1 1 A 16 16 LYS C C 16 179.086 179.070 0.016 1
1 202 . 20 1 1 A 16 16 LYS CA C 16 59.878 59.861 0.017 1
1 203 . 20 1 1 A 16 16 LYS CB C 16 32.727 32.153 0.574 1
1 207 . 20 1 1 A 16 16 LYS N N 16 120.084 116.661 3.423 1
1 208 . 20 1 1 A 17 17 ALA H H 17 8.527 8.398 0.129 1
1 209 . 20 1 1 A 17 17 ALA HA H 17 4.026 4.044 -0.018 1
1 213 . 20 1 1 A 17 17 ALA C C 17 181.147 179.624 1.523 1
1 214 . 20 1 1 A 17 17 ALA CA C 17 54.993 55.053 -0.060 1
1 215 . 20 1 1 A 17 17 ALA CB C 17 17.858 18.559 -0.701 1
1 216 . 20 1 1 A 17 17 ALA N N 17 123.164 122.140 1.024 1
1 217 . 20 1 1 A 18 18 LYS H H 18 8.125 7.925 0.200 1
1 218 . 20 1 1 A 18 18 LYS HA H 18 4.053 4.072 -0.019 1
1 227 . 20 1 1 A 18 18 LYS C C 18 177.994 177.809 0.185 1
1 228 . 20 1 1 A 18 18 LYS CA C 18 58.961 58.426 0.535 1
1 229 . 20 1 1 A 18 18 LYS CB C 18 32.400 32.055 0.345 1
1 233 . 20 1 1 A 18 18 LYS N N 18 120.927 117.959 2.968 1
1 234 . 20 1 1 A 19 19 ALA H H 19 7.659 7.514 0.145 1
1 235 . 20 1 1 A 19 19 ALA HA H 19 4.355 4.336 0.019 1
1 239 . 20 1 1 A 19 19 ALA C C 19 177.769 178.067 -0.298 1
1 240 . 20 1 1 A 19 19 ALA CA C 19 52.453 52.258 0.195 1
1 241 . 20 1 1 A 19 19 ALA CB C 19 19.483 19.747 -0.264 1
1 242 . 20 1 1 A 19 19 ALA N N 19 118.300 118.994 -0.694 1
1 243 . 20 1 1 A 20 20 GLY H H 20 7.758 7.840 -0.082 1
1 244 . 20 1 1 A 20 20 GLY HA2 H 20 4.180 3.933 0.247 1
1 245 . 20 1 1 A 20 20 GLY HA3 H 20 3.947 3.934 0.013 1
1 246 . 20 1 1 A 20 20 GLY C C 20 175.031 174.842 0.189 1
1 247 . 20 1 1 A 20 20 GLY CA C 20 45.907 45.608 0.299 1
1 248 . 20 1 1 A 20 20 GLY N N 20 105.949 106.181 -0.232 1
1 249 . 20 1 1 A 21 21 VAL H H 21 7.678 7.463 0.215 1
1 250 . 20 1 1 A 21 21 VAL HA H 21 4.608 4.212 0.396 1
1 258 . 20 1 1 A 21 21 VAL C C 21 175.837 175.449 0.388 1
1 259 . 20 1 1 A 21 21 VAL CA C 21 60.158 62.389 -2.231 1
1 260 . 20 1 1 A 21 21 VAL CB C 21 32.525 31.928 0.597 1
1 263 . 20 1 1 A 21 21 VAL N N 21 109.739 117.633 -7.894 1
1 264 . 20 1 1 A 22 22 ILE H H 22 6.842 7.485 -0.643 1
1 265 . 20 1 1 A 22 22 ILE HA H 22 4.347 4.353 -0.006 1
1 275 . 20 1 1 A 22 22 ILE C C 22 174.145 175.572 -1.427 1
1 276 . 20 1 1 A 22 22 ILE CA C 22 61.285 60.663 0.622 1
1 277 . 20 1 1 A 22 22 ILE CB C 22 40.142 39.223 0.919 1
1 281 . 20 1 1 A 22 22 ILE N N 22 124.020 124.665 -0.645 1
1 282 . 20 1 1 A 23 23 THR H H 23 9.104 8.636 0.468 1
1 283 . 20 1 1 A 23 23 THR HA H 23 4.597 4.677 -0.080 1
1 288 . 20 1 1 A 23 23 THR C C 23 175.820 175.969 -0.149 1
1 289 . 20 1 1 A 23 23 THR CA C 23 61.139 60.710 0.429 1
1 290 . 20 1 1 A 23 23 THR CB C 23 71.396 71.484 -0.088 1
1 292 . 20 1 1 A 23 23 THR N N 23 120.184 118.292 1.892 1
1 293 . 20 1 1 A 24 24 GLU H H 24 9.011 8.987 0.024 1
1 294 . 20 1 1 A 24 24 GLU HA H 24 3.965 4.022 -0.057 1
1 299 . 20 1 1 A 24 24 GLU C C 24 180.012 178.976 1.036 1
1 300 . 20 1 1 A 24 24 GLU CA C 24 60.049 59.924 0.125 1
1 301 . 20 1 1 A 24 24 GLU CB C 24 29.095 29.249 -0.154 1
1 303 . 20 1 1 A 24 24 GLU N N 24 120.289 121.241 -0.952 1
1 304 . 20 1 1 A 25 25 GLU H H 25 8.917 8.200 0.717 1
1 305 . 20 1 1 A 25 25 GLU HA H 25 4.116 4.085 0.031 1
1 310 . 20 1 1 A 25 25 GLU C C 25 180.164 179.250 0.914 1
1 311 . 20 1 1 A 25 25 GLU CA C 25 60.042 59.298 0.744 1
1 312 . 20 1 1 A 25 25 GLU CB C 25 29.131 29.329 -0.198 1
1 314 . 20 1 1 A 25 25 GLU N N 25 120.676 119.872 0.804 1
1 315 . 20 1 1 A 26 26 GLU H H 26 7.837 7.999 -0.162 1
1 316 . 20 1 1 A 26 26 GLU HA H 26 4.074 4.071 0.003 1
1 321 . 20 1 1 A 26 26 GLU C C 26 179.093 179.111 -0.018 1
1 322 . 20 1 1 A 26 26 GLU CA C 26 58.684 58.894 -0.210 1
1 323 . 20 1 1 A 26 26 GLU CB C 26 30.606 29.233 1.373 1
1 325 . 20 1 1 A 26 26 GLU N N 26 121.997 119.826 2.171 1
1 326 . 20 1 1 A 27 27 LYS H H 27 8.659 8.243 0.416 1
1 327 . 20 1 1 A 27 27 LYS HA H 27 3.964 4.025 -0.061 1
1 336 . 20 1 1 A 27 27 LYS C C 27 179.776 179.226 0.550 1
1 337 . 20 1 1 A 27 27 LYS CA C 27 60.129 59.477 0.652 1
1 338 . 20 1 1 A 27 27 LYS CB C 27 32.537 32.367 0.170 1
1 342 . 20 1 1 A 27 27 LYS N N 27 121.367 120.570 0.797 1
1 343 . 20 1 1 A 28 28 ALA H H 28 7.648 8.386 -0.738 1
1 344 . 20 1 1 A 28 28 ALA HA H 28 4.216 4.046 0.170 1
1 348 . 20 1 1 A 28 28 ALA C C 28 180.525 178.989 1.536 1
1 349 . 20 1 1 A 28 28 ALA CA C 28 55.014 54.905 0.109 1
1 350 . 20 1 1 A 28 28 ALA CB C 28 17.610 18.282 -0.672 1
1 351 . 20 1 1 A 28 28 ALA N N 28 122.685 122.065 0.620 1
1 352 . 20 1 1 A 29 29 GLU H H 29 7.915 8.493 -0.578 1
1 353 . 20 1 1 A 29 29 GLU HA H 29 3.971 4.026 -0.055 1
1 358 . 20 1 1 A 29 29 GLU C C 29 178.193 178.715 -0.522 1
1 359 . 20 1 1 A 29 29 GLU CA C 29 59.269 59.661 -0.392 1
1 360 . 20 1 1 A 29 29 GLU CB C 29 29.467 29.129 0.338 1
1 362 . 20 1 1 A 29 29 GLU N N 29 122.691 118.312 4.379 1
1 363 . 20 1 1 A 30 30 GLN H H 30 8.891 8.221 0.670 1
1 364 . 20 1 1 A 30 30 GLN HA H 30 3.805 3.999 -0.194 1
1 371 . 20 1 1 A 30 30 GLN C C 30 177.828 178.458 -0.630 1
1 372 . 20 1 1 A 30 30 GLN CA C 30 59.703 59.045 0.658 1
1 373 . 20 1 1 A 30 30 GLN CB C 30 29.404 28.532 0.872 1
1 376 . 20 1 1 A 30 30 GLN N N 30 119.325 118.755 0.570 1
1 378 . 20 1 1 A 31 31 GLN H H 31 7.874 8.121 -0.247 1
1 379 . 20 1 1 A 31 31 GLN HA H 31 4.085 3.960 0.125 1
1 386 . 20 1 1 A 31 31 GLN C C 31 178.371 178.014 0.357 1
1 387 . 20 1 1 A 31 31 GLN CA C 31 58.842 59.067 -0.225 1
1 388 . 20 1 1 A 31 31 GLN CB C 31 28.283 28.160 0.123 1
1 391 . 20 1 1 A 31 31 GLN N N 31 118.010 119.447 -1.437 1
1 393 . 20 1 1 A 32 32 LYS H H 32 7.739 8.203 -0.464 1
1 394 . 20 1 1 A 32 32 LYS HA H 32 4.096 4.083 0.013 1
1 403 . 20 1 1 A 32 32 LYS C C 32 179.952 179.107 0.845 1
1 404 . 20 1 1 A 32 32 LYS CA C 32 59.708 59.471 0.237 1
1 405 . 20 1 1 A 32 32 LYS CB C 32 32.403 32.382 0.021 1
1 409 . 20 1 1 A 32 32 LYS N N 32 120.842 120.279 0.563 1
1 410 . 20 1 1 A 33 33 LEU H H 33 8.617 8.262 0.355 1
1 411 . 20 1 1 A 33 33 LEU HA H 33 4.153 4.086 0.067 1
1 421 . 20 1 1 A 33 33 LEU C C 33 179.446 179.247 0.199 1
1 422 . 20 1 1 A 33 33 LEU CA C 33 57.774 57.066 0.708 1
1 423 . 20 1 1 A 33 33 LEU CB C 33 42.585 41.018 1.567 1
1 427 . 20 1 1 A 33 33 LEU N N 33 120.088 119.790 0.298 1
1 428 . 20 1 1 A 34 34 ARG H H 34 8.413 8.525 -0.112 1
1 429 . 20 1 1 A 34 34 ARG HA H 34 4.009 4.040 -0.031 1
1 436 . 20 1 1 A 34 34 ARG C C 34 178.614 179.102 -0.488 1
1 437 . 20 1 1 A 34 34 ARG CA C 34 59.839 59.384 0.455 1
1 438 . 20 1 1 A 34 34 ARG CB C 34 29.772 29.700 0.072 1
1 441 . 20 1 1 A 34 34 ARG N N 34 119.206 119.937 -0.731 1
1 442 . 20 1 1 A 35 35 GLN H H 35 7.850 8.102 -0.252 1
1 443 . 20 1 1 A 35 35 GLN HA H 35 4.085 4.158 -0.073 1
1 450 . 20 1 1 A 35 35 GLN C C 35 178.621 178.821 -0.200 1
1 451 . 20 1 1 A 35 35 GLN CA C 35 58.771 58.938 -0.167 1
1 452 . 20 1 1 A 35 35 GLN CB C 35 28.331 28.358 -0.027 1
1 455 . 20 1 1 A 35 35 GLN N N 35 117.434 119.419 -1.985 1
1 457 . 20 1 1 A 36 36 GLU H H 36 7.939 7.905 0.034 1
1 458 . 20 1 1 A 36 36 GLU HA H 36 4.015 4.087 -0.072 1
1 463 . 20 1 1 A 36 36 GLU C C 36 178.975 178.957 0.018 1
1 464 . 20 1 1 A 36 36 GLU CA C 36 59.271 59.279 -0.008 1
1 465 . 20 1 1 A 36 36 GLU CB C 36 29.750 29.553 0.197 1
1 467 . 20 1 1 A 36 36 GLU N N 36 119.554 121.212 -1.658 1
1 468 . 20 1 1 A 37 37 TYR H H 37 8.578 8.217 0.361 1
1 469 . 20 1 1 A 37 37 TYR HA H 37 4.164 4.121 0.043 1
1 476 . 20 1 1 A 37 37 TYR C C 37 177.550 177.280 0.270 1
1 477 . 20 1 1 A 37 37 TYR CA C 37 60.590 60.752 -0.162 1
1 478 . 20 1 1 A 37 37 TYR CB C 37 38.709 38.859 -0.150 1
1 483 . 20 1 1 A 37 37 TYR N N 37 120.782 121.659 -0.877 1
1 484 . 20 1 1 A 38 38 LEU H H 38 8.229 7.960 0.269 1
1 485 . 20 1 1 A 38 38 LEU HA H 38 4.072 4.338 -0.266 1
1 495 . 20 1 1 A 38 38 LEU C C 38 178.983 177.157 1.826 1
1 496 . 20 1 1 A 38 38 LEU CA C 38 57.053 55.658 1.395 1
1 497 . 20 1 1 A 38 38 LEU CB C 38 42.020 42.168 -0.148 1
1 501 . 20 1 1 A 38 38 LEU N N 38 119.275 119.459 -0.184 1
1 502 . 20 1 1 A 39 39 LYS H H 39 7.790 7.262 0.528 1
1 503 . 20 1 1 A 39 39 LYS HA H 39 4.152 4.134 0.018 1
1 512 . 20 1 1 A 39 39 LYS C C 39 178.123 177.396 0.727 1
1 513 . 20 1 1 A 39 39 LYS CA C 39 58.197 58.327 -0.130 1
1 514 . 20 1 1 A 39 39 LYS CB C 39 32.466 31.890 0.576 1
1 518 . 20 1 1 A 39 39 LYS N N 39 118.917 120.481 -1.564 1
1 519 . 20 1 1 A 40 40 GLY H H 40 7.885 9.001 -1.116 1
1 520 . 20 1 1 A 40 40 GLY HA2 H 40 3.970 3.983 -0.013 1
1 521 . 20 1 1 A 40 40 GLY HA3 H 40 3.768 3.986 -0.218 1
1 522 . 20 1 1 A 40 40 GLY C C 40 174.349 174.255 0.094 1
1 523 . 20 1 1 A 40 40 GLY CA C 40 45.758 45.169 0.589 1
1 524 . 20 1 1 A 40 40 GLY N N 40 106.796 112.590 -5.794 1
1 525 . 20 1 1 A 41 41 PHE H H 41 7.859 7.810 0.049 1
1 526 . 20 1 1 A 41 41 PHE HA H 41 4.455 4.558 -0.103 1
1 534 . 20 1 1 A 41 41 PHE C C 41 176.028 174.962 1.066 1
1 535 . 20 1 1 A 41 41 PHE CA C 41 58.735 57.050 1.685 1
1 536 . 20 1 1 A 41 41 PHE CB C 41 39.408 39.609 -0.201 1
1 542 . 20 1 1 A 41 41 PHE N N 41 120.317 121.573 -1.256 1
1 543 . 20 1 1 A 42 42 ARG H H 42 8.044 8.033 0.011 1
1 544 . 20 1 1 A 42 42 ARG HA H 42 4.269 4.399 -0.130 1
1 551 . 20 1 1 A 42 42 ARG C C 42 176.487 175.477 1.010 1
1 552 . 20 1 1 A 42 42 ARG CA C 42 56.505 55.513 0.992 1
1 553 . 20 1 1 A 42 42 ARG CB C 42 30.801 30.577 0.224 1
1 556 . 20 1 1 A 42 42 ARG N N 42 121.581 126.136 -4.555 1
1 557 . 20 1 1 A 43 43 SER H H 43 8.218 8.818 -0.600 1
1 558 . 20 1 1 A 43 43 SER HA H 43 4.389 4.658 -0.269 1
1 561 . 20 1 1 A 43 43 SER C C 43 174.872 175.558 -0.686 1
1 562 . 20 1 1 A 43 43 SER CA C 43 58.809 58.778 0.031 1
1 563 . 20 1 1 A 43 43 SER CB C 43 63.615 63.562 0.053 1
1 564 . 20 1 1 A 43 43 SER N N 43 116.338 122.033 -5.695 1
1 565 . 20 1 1 A 44 44 SER H H 44 8.247 9.021 -0.774 1
1 566 . 20 1 1 A 44 44 SER HA H 44 4.441 4.505 -0.064 1
1 569 . 20 1 1 A 44 44 SER C C 44 174.653 174.156 0.497 1
1 570 . 20 1 1 A 44 44 SER CA C 44 58.697 59.503 -0.806 1
1 571 . 20 1 1 A 44 44 SER CB C 44 63.743 63.887 -0.144 1
1 572 . 20 1 1 A 44 44 SER N N 44 117.375 119.812 -2.437 1
1 573 . 20 1 1 A 45 45 MET H H 45 8.194 7.410 0.784 1
1 574 . 20 1 1 A 45 45 MET HA H 45 4.417 5.070 -0.653 1
1 579 . 20 1 1 A 45 45 MET C C 45 176.033 174.079 1.954 1
1 580 . 20 1 1 A 45 45 MET CA C 45 55.795 53.971 1.824 1
1 581 . 20 1 1 A 45 45 MET CB C 45 32.840 35.104 -2.264 1
1 583 . 20 1 1 A 45 45 MET N N 45 122.021 117.095 4.926 1
1 584 . 20 1 1 A 46 46 LYS H H 46 8.220 9.047 -0.827 1
1 585 . 20 1 1 A 46 46 LYS HA H 46 4.276 5.064 -0.788 1
1 594 . 20 1 1 A 46 46 LYS C C 46 176.299 175.319 0.980 1
1 595 . 20 1 1 A 46 46 LYS CA C 46 56.399 54.925 1.474 1
1 596 . 20 1 1 A 46 46 LYS CB C 46 32.834 34.552 -1.718 1
1 600 . 20 1 1 A 46 46 LYS N N 46 122.277 125.012 -2.735 1
1 601 . 20 1 1 A 47 47 LEU H H 47 8.210 8.891 -0.681 1
1 602 . 20 1 1 A 47 47 LEU HA H 47 4.299 4.965 -0.666 1
1 612 . 20 1 1 A 47 47 LEU C C 47 177.189 174.752 2.437 1
1 613 . 20 1 1 A 47 47 LEU CA C 47 55.134 53.772 1.362 1
1 614 . 20 1 1 A 47 47 LEU CB C 47 42.301 44.790 -2.489 1
1 618 . 20 1 1 A 47 47 LEU N N 47 123.549 123.219 0.330 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 46 0.954 1
2 1 1 1 "RMS(OBS, PRED)" CA 46 0.969 1
3 1 1 1 "RMS(OBS, PRED)" CB 44 0.826 1
4 1 1 1 "RMS(OBS, PRED)" H 45 0.400 1
5 1 1 1 "RMS(OBS, PRED)" HA 48 0.211 1
6 1 1 1 "RMS(OBS, PRED)" N 45 2.757 1
7 1 2 1 "RMS(OBS, PRED)" C 46 1.017 1
8 1 2 1 "RMS(OBS, PRED)" CA 46 0.914 1
9 1 2 1 "RMS(OBS, PRED)" CB 44 0.895 1
10 1 2 1 "RMS(OBS, PRED)" H 45 0.411 1
11 1 2 1 "RMS(OBS, PRED)" HA 48 0.256 1
12 1 2 1 "RMS(OBS, PRED)" N 45 3.112 1
13 1 3 1 "RMS(OBS, PRED)" C 46 0.925 1
14 1 3 1 "RMS(OBS, PRED)" CA 46 0.710 1
15 1 3 1 "RMS(OBS, PRED)" CB 44 0.896 1
16 1 3 1 "RMS(OBS, PRED)" H 45 0.429 1
17 1 3 1 "RMS(OBS, PRED)" HA 48 0.169 1
18 1 3 1 "RMS(OBS, PRED)" N 45 2.625 1
19 1 4 1 "RMS(OBS, PRED)" C 46 0.935 1
20 1 4 1 "RMS(OBS, PRED)" CA 46 0.860 1
21 1 4 1 "RMS(OBS, PRED)" CB 44 0.857 1
22 1 4 1 "RMS(OBS, PRED)" H 45 0.441 1
23 1 4 1 "RMS(OBS, PRED)" HA 48 0.198 1
24 1 4 1 "RMS(OBS, PRED)" N 45 2.672 1
25 1 5 1 "RMS(OBS, PRED)" C 46 0.980 1
26 1 5 1 "RMS(OBS, PRED)" CA 46 0.806 1
27 1 5 1 "RMS(OBS, PRED)" CB 44 0.948 1
28 1 5 1 "RMS(OBS, PRED)" H 45 0.389 1
29 1 5 1 "RMS(OBS, PRED)" HA 48 0.218 1
30 1 5 1 "RMS(OBS, PRED)" N 45 2.493 1
31 1 6 1 "RMS(OBS, PRED)" C 46 1.029 1
32 1 6 1 "RMS(OBS, PRED)" CA 46 0.848 1
33 1 6 1 "RMS(OBS, PRED)" CB 44 1.012 1
34 1 6 1 "RMS(OBS, PRED)" H 45 0.419 1
35 1 6 1 "RMS(OBS, PRED)" HA 48 0.187 1
36 1 6 1 "RMS(OBS, PRED)" N 45 2.631 1
37 1 7 1 "RMS(OBS, PRED)" C 46 1.078 1
38 1 7 1 "RMS(OBS, PRED)" CA 46 0.972 1
39 1 7 1 "RMS(OBS, PRED)" CB 44 1.135 1
40 1 7 1 "RMS(OBS, PRED)" H 45 0.381 1
41 1 7 1 "RMS(OBS, PRED)" HA 48 0.322 1
42 1 7 1 "RMS(OBS, PRED)" N 45 2.423 1
43 1 8 1 "RMS(OBS, PRED)" C 46 0.775 1
44 1 8 1 "RMS(OBS, PRED)" CA 46 0.916 1
45 1 8 1 "RMS(OBS, PRED)" CB 44 0.707 1
46 1 8 1 "RMS(OBS, PRED)" H 45 0.350 1
47 1 8 1 "RMS(OBS, PRED)" HA 48 0.191 1
48 1 8 1 "RMS(OBS, PRED)" N 45 2.513 1
49 1 9 1 "RMS(OBS, PRED)" C 46 0.955 1
50 1 9 1 "RMS(OBS, PRED)" CA 46 0.807 1
51 1 9 1 "RMS(OBS, PRED)" CB 44 0.676 1
52 1 9 1 "RMS(OBS, PRED)" H 45 0.413 1
53 1 9 1 "RMS(OBS, PRED)" HA 48 0.192 1
54 1 9 1 "RMS(OBS, PRED)" N 45 2.715 1
55 1 10 1 "RMS(OBS, PRED)" C 46 0.992 1
56 1 10 1 "RMS(OBS, PRED)" CA 46 0.946 1
57 1 10 1 "RMS(OBS, PRED)" CB 44 0.734 1
58 1 10 1 "RMS(OBS, PRED)" H 45 0.358 1
59 1 10 1 "RMS(OBS, PRED)" HA 48 0.188 1
60 1 10 1 "RMS(OBS, PRED)" N 45 2.651 1
61 1 11 1 "RMS(OBS, PRED)" C 46 0.919 1
62 1 11 1 "RMS(OBS, PRED)" CA 46 0.944 1
63 1 11 1 "RMS(OBS, PRED)" CB 44 0.828 1
64 1 11 1 "RMS(OBS, PRED)" H 45 0.414 1
65 1 11 1 "RMS(OBS, PRED)" HA 48 0.245 1
66 1 11 1 "RMS(OBS, PRED)" N 45 3.028 1
67 1 12 1 "RMS(OBS, PRED)" C 46 1.063 1
68 1 12 1 "RMS(OBS, PRED)" CA 46 0.837 1
69 1 12 1 "RMS(OBS, PRED)" CB 44 0.891 1
70 1 12 1 "RMS(OBS, PRED)" H 45 0.379 1
71 1 12 1 "RMS(OBS, PRED)" HA 48 0.224 1
72 1 12 1 "RMS(OBS, PRED)" N 45 2.651 1
73 1 13 1 "RMS(OBS, PRED)" C 46 0.920 1
74 1 13 1 "RMS(OBS, PRED)" CA 46 0.842 1
75 1 13 1 "RMS(OBS, PRED)" CB 44 0.864 1
76 1 13 1 "RMS(OBS, PRED)" H 45 0.393 1
77 1 13 1 "RMS(OBS, PRED)" HA 48 0.168 1
78 1 13 1 "RMS(OBS, PRED)" N 45 2.428 1
79 1 14 1 "RMS(OBS, PRED)" C 46 0.910 1
80 1 14 1 "RMS(OBS, PRED)" CA 46 0.798 1
81 1 14 1 "RMS(OBS, PRED)" CB 44 0.694 1
82 1 14 1 "RMS(OBS, PRED)" H 45 0.362 1
83 1 14 1 "RMS(OBS, PRED)" HA 48 0.203 1
84 1 14 1 "RMS(OBS, PRED)" N 45 2.094 1
85 1 15 1 "RMS(OBS, PRED)" C 46 0.911 1
86 1 15 1 "RMS(OBS, PRED)" CA 46 0.836 1
87 1 15 1 "RMS(OBS, PRED)" CB 44 0.792 1
88 1 15 1 "RMS(OBS, PRED)" H 45 0.348 1
89 1 15 1 "RMS(OBS, PRED)" HA 48 0.173 1
90 1 15 1 "RMS(OBS, PRED)" N 45 2.517 1
91 1 16 1 "RMS(OBS, PRED)" C 46 0.919 1
92 1 16 1 "RMS(OBS, PRED)" CA 46 0.906 1
93 1 16 1 "RMS(OBS, PRED)" CB 44 0.826 1
94 1 16 1 "RMS(OBS, PRED)" H 45 0.404 1
95 1 16 1 "RMS(OBS, PRED)" HA 48 0.201 1
96 1 16 1 "RMS(OBS, PRED)" N 45 2.608 1
97 1 17 1 "RMS(OBS, PRED)" C 46 0.958 1
98 1 17 1 "RMS(OBS, PRED)" CA 46 1.017 1
99 1 17 1 "RMS(OBS, PRED)" CB 44 0.690 1
100 1 17 1 "RMS(OBS, PRED)" H 45 0.347 1
101 1 17 1 "RMS(OBS, PRED)" HA 48 0.174 1
102 1 17 1 "RMS(OBS, PRED)" N 45 2.644 1
103 1 18 1 "RMS(OBS, PRED)" C 46 0.865 1
104 1 18 1 "RMS(OBS, PRED)" CA 46 0.741 1
105 1 18 1 "RMS(OBS, PRED)" CB 44 1.028 1
106 1 18 1 "RMS(OBS, PRED)" H 45 0.430 1
107 1 18 1 "RMS(OBS, PRED)" HA 48 0.177 1
108 1 18 1 "RMS(OBS, PRED)" N 45 2.708 1
109 1 19 1 "RMS(OBS, PRED)" C 46 0.980 1
110 1 19 1 "RMS(OBS, PRED)" CA 46 0.791 1
111 1 19 1 "RMS(OBS, PRED)" CB 44 0.886 1
112 1 19 1 "RMS(OBS, PRED)" H 45 0.366 1
113 1 19 1 "RMS(OBS, PRED)" HA 48 0.188 1
114 1 19 1 "RMS(OBS, PRED)" N 45 2.745 1
115 1 20 1 "RMS(OBS, PRED)" C 46 0.925 1
116 1 20 1 "RMS(OBS, PRED)" CA 46 0.885 1
117 1 20 1 "RMS(OBS, PRED)" CB 44 0.813 1
118 1 20 1 "RMS(OBS, PRED)" H 45 0.455 1
119 1 20 1 "RMS(OBS, PRED)" HA 48 0.234 1
120 1 20 1 "RMS(OBS, PRED)" N 45 2.753 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 9 . 1 1 A 2 2 ILE HA H 2 4.350 4.600 -0.250 2
1 19 . 1 1 A 2 2 ILE C C 2 174.508 174.929 -0.421 2
1 20 . 1 1 A 2 2 ILE CA C 2 61.095 60.867 0.228 2
1 21 . 1 1 A 2 2 ILE CB C 2 39.193 39.753 -0.560 2
1 25 . 1 1 A 3 3 SER H H 3 8.112 8.619 -0.507 2
1 26 . 1 1 A 3 3 SER HA H 3 4.414 4.792 -0.378 2
1 29 . 1 1 A 3 3 SER C C 3 174.652 175.357 -0.705 2
1 30 . 1 1 A 3 3 SER CA C 3 57.714 56.877 0.837 2
1 31 . 1 1 A 3 3 SER CB C 3 64.725 65.447 -0.722 2
1 32 . 1 1 A 3 3 SER N N 3 119.280 123.067 -3.787 2
1 33 . 1 1 A 4 4 ASN H H 4 8.832 9.062 -0.230 2
1 34 . 1 1 A 4 4 ASN HA H 4 4.511 4.439 0.072 2
1 39 . 1 1 A 4 4 ASN C C 4 177.606 177.486 0.120 2
1 40 . 1 1 A 4 4 ASN CA C 4 55.617 56.402 -0.785 2
1 41 . 1 1 A 4 4 ASN CB C 4 37.972 38.012 -0.040 2
1 43 . 1 1 A 4 4 ASN N N 4 120.760 122.703 -1.943 2
1 45 . 1 1 A 5 5 ALA H H 5 8.504 8.178 0.326 2
1 46 . 1 1 A 5 5 ALA HA H 5 4.191 4.049 0.142 2
1 50 . 1 1 A 5 5 ALA C C 5 180.504 179.657 0.847 2
1 51 . 1 1 A 5 5 ALA CA C 5 54.896 55.196 -0.300 2
1 52 . 1 1 A 5 5 ALA CB C 5 18.468 18.413 0.055 2
1 53 . 1 1 A 5 5 ALA N N 5 123.401 122.270 1.131 2
1 54 . 1 1 A 6 6 LYS H H 6 7.844 7.859 -0.015 2
1 55 . 1 1 A 6 6 LYS HA H 6 4.119 4.096 0.023 2
1 64 . 1 1 A 6 6 LYS C C 6 178.320 179.593 -1.273 2
1 65 . 1 1 A 6 6 LYS CA C 6 59.550 59.246 0.304 2
1 66 . 1 1 A 6 6 LYS CB C 6 32.639 32.469 0.170 2
1 70 . 1 1 A 6 6 LYS N N 6 119.908 117.453 2.455 2
1 71 . 1 1 A 7 7 ILE H H 7 7.887 8.165 -0.278 2
1 72 . 1 1 A 7 7 ILE HA H 7 3.615 3.622 -0.007 2
1 82 . 1 1 A 7 7 ILE C C 7 177.784 177.594 0.190 2
1 83 . 1 1 A 7 7 ILE CA C 7 64.351 65.819 -1.468 2
1 84 . 1 1 A 7 7 ILE CB C 7 37.623 37.947 -0.324 2
1 88 . 1 1 A 7 7 ILE N N 7 120.487 120.983 -0.496 2
1 89 . 1 1 A 8 8 ALA H H 8 8.062 8.506 -0.444 2
1 90 . 1 1 A 8 8 ALA HA H 8 4.160 3.893 0.267 2
1 94 . 1 1 A 8 8 ALA C C 8 180.625 179.294 1.331 2
1 95 . 1 1 A 8 8 ALA CA C 8 55.102 55.386 -0.284 2
1 96 . 1 1 A 8 8 ALA CB C 8 17.517 18.315 -0.798 2
1 97 . 1 1 A 8 8 ALA N N 8 121.576 121.700 -0.124 2
1 98 . 1 1 A 9 9 ARG H H 9 7.769 7.627 0.142 2
1 99 . 1 1 A 9 9 ARG HA H 9 4.226 4.107 0.119 2
1 107 . 1 1 A 9 9 ARG C C 9 178.076 178.825 -0.749 2
1 108 . 1 1 A 9 9 ARG CA C 9 57.517 58.767 -1.250 2
1 109 . 1 1 A 9 9 ARG CB C 9 29.638 29.899 -0.261 2
1 112 . 1 1 A 9 9 ARG N N 9 120.694 118.453 2.241 2
1 114 . 1 1 A 10 10 ILE H H 10 8.462 8.267 0.195 2
1 115 . 1 1 A 10 10 ILE HA H 10 3.576 3.531 0.045 2
1 125 . 1 1 A 10 10 ILE C C 10 179.221 177.891 1.330 2
1 126 . 1 1 A 10 10 ILE CA C 10 66.414 65.571 0.843 2
1 127 . 1 1 A 10 10 ILE CB C 10 37.872 37.779 0.093 2
1 131 . 1 1 A 10 10 ILE N N 10 121.475 119.841 1.634 2
1 132 . 1 1 A 11 11 ASN H H 11 8.161 8.260 -0.099 2
1 133 . 1 1 A 11 11 ASN HA H 11 4.485 4.418 0.067 2
1 138 . 1 1 A 11 11 ASN C C 11 178.124 177.968 0.156 2
1 139 . 1 1 A 11 11 ASN CA C 11 55.961 56.557 -0.596 2
1 140 . 1 1 A 11 11 ASN CB C 11 37.642 37.771 -0.129 2
1 142 . 1 1 A 11 11 ASN N N 11 119.357 118.124 1.233 2
1 144 . 1 1 A 12 12 GLU H H 12 8.528 8.196 0.332 2
1 145 . 1 1 A 12 12 GLU HA H 12 4.111 4.031 0.080 2
1 150 . 1 1 A 12 12 GLU C C 12 179.650 179.301 0.349 2
1 151 . 1 1 A 12 12 GLU CA C 12 59.252 59.102 0.150 2
1 152 . 1 1 A 12 12 GLU CB C 12 30.026 29.425 0.601 2
1 154 . 1 1 A 12 12 GLU N N 12 124.689 119.733 4.956 2
1 155 . 1 1 A 13 13 LEU H H 13 8.669 8.384 0.285 2
1 156 . 1 1 A 13 13 LEU HA H 13 3.948 4.033 -0.085 2
1 166 . 1 1 A 13 13 LEU C C 13 178.491 179.161 -0.669 2
1 167 . 1 1 A 13 13 LEU CA C 13 57.835 57.710 0.125 2
1 168 . 1 1 A 13 13 LEU CB C 13 41.160 41.102 0.058 2
1 172 . 1 1 A 13 13 LEU N N 13 119.467 120.064 -0.597 2
1 173 . 1 1 A 14 14 ALA H H 14 8.326 8.452 -0.126 2
1 174 . 1 1 A 14 14 ALA HA H 14 4.076 3.978 0.098 2
1 178 . 1 1 A 14 14 ALA C C 14 180.903 179.399 1.504 2
1 179 . 1 1 A 14 14 ALA CA C 14 55.100 55.394 -0.294 2
1 180 . 1 1 A 14 14 ALA CB C 14 17.838 17.901 -0.063 2
1 181 . 1 1 A 14 14 ALA N N 14 122.290 122.197 0.093 2
1 182 . 1 1 A 15 15 ALA H H 15 7.794 7.945 -0.151 2
1 183 . 1 1 A 15 15 ALA HA H 15 4.176 4.011 0.165 2
1 187 . 1 1 A 15 15 ALA C C 15 181.255 179.917 1.338 2
1 188 . 1 1 A 15 15 ALA CA C 15 55.196 55.223 -0.027 2
1 189 . 1 1 A 15 15 ALA CB C 15 17.568 18.256 -0.688 2
1 190 . 1 1 A 15 15 ALA N N 15 121.829 120.184 1.645 2
1 191 . 1 1 A 16 16 LYS H H 16 7.977 8.143 -0.166 2
1 192 . 1 1 A 16 16 LYS HA H 16 4.026 4.011 0.015 2
1 201 . 1 1 A 16 16 LYS C C 16 179.086 178.952 0.134 2
1 202 . 1 1 A 16 16 LYS CA C 16 59.878 59.367 0.511 2
1 203 . 1 1 A 16 16 LYS CB C 16 32.727 32.154 0.573 2
1 207 . 1 1 A 16 16 LYS N N 16 120.084 116.695 3.390 2
1 208 . 1 1 A 17 17 ALA H H 17 8.527 8.264 0.263 2
1 209 . 1 1 A 17 17 ALA HA H 17 4.026 4.047 -0.021 2
1 213 . 1 1 A 17 17 ALA C C 17 181.147 179.456 1.691 2
1 214 . 1 1 A 17 17 ALA CA C 17 54.993 55.294 -0.301 2
1 215 . 1 1 A 17 17 ALA CB C 17 17.858 18.377 -0.519 2
1 216 . 1 1 A 17 17 ALA N N 17 123.164 122.292 0.872 2
1 217 . 1 1 A 18 18 LYS H H 18 8.125 8.108 0.017 2
1 218 . 1 1 A 18 18 LYS HA H 18 4.053 4.032 0.021 2
1 227 . 1 1 A 18 18 LYS C C 18 177.994 178.489 -0.495 2
1 228 . 1 1 A 18 18 LYS CA C 18 58.961 58.958 0.003 2
1 229 . 1 1 A 18 18 LYS CB C 18 32.400 32.146 0.254 2
1 233 . 1 1 A 18 18 LYS N N 18 120.927 117.601 3.326 2
1 234 . 1 1 A 19 19 ALA H H 19 7.659 7.598 0.061 2
1 235 . 1 1 A 19 19 ALA HA H 19 4.355 4.319 0.036 2
1 239 . 1 1 A 19 19 ALA C C 19 177.769 177.904 -0.135 2
1 240 . 1 1 A 19 19 ALA CA C 19 52.453 52.232 0.221 2
1 241 . 1 1 A 19 19 ALA CB C 19 19.483 19.578 -0.095 2
1 242 . 1 1 A 19 19 ALA N N 19 118.300 118.755 -0.455 2
1 243 . 1 1 A 20 20 GLY H H 20 7.758 7.799 -0.041 2
1 244 . 1 1 A 20 20 GLY HA2 H 20 4.180 3.945 0.235 2
1 245 . 1 1 A 20 20 GLY HA3 H 20 3.947 3.946 0.001 2
1 246 . 1 1 A 20 20 GLY C C 20 175.031 174.958 0.073 2
1 247 . 1 1 A 20 20 GLY CA C 20 45.907 45.786 0.121 2
1 248 . 1 1 A 20 20 GLY N N 20 105.949 106.303 -0.354 2
1 249 . 1 1 A 21 21 VAL H H 21 7.678 7.793 -0.115 2
1 250 . 1 1 A 21 21 VAL HA H 21 4.608 4.320 0.288 2
1 258 . 1 1 A 21 21 VAL C C 21 175.837 175.334 0.503 2
1 259 . 1 1 A 21 21 VAL CA C 21 60.158 61.689 -1.531 2
1 260 . 1 1 A 21 21 VAL CB C 21 32.525 31.983 0.541 2
1 263 . 1 1 A 21 21 VAL N N 21 109.739 116.989 -7.250 2
1 264 . 1 1 A 22 22 ILE H H 22 6.842 7.362 -0.520 2
1 265 . 1 1 A 22 22 ILE HA H 22 4.347 4.372 -0.024 2
1 275 . 1 1 A 22 22 ILE C C 22 174.145 175.447 -1.302 2
1 276 . 1 1 A 22 22 ILE CA C 22 61.285 60.761 0.524 2
1 277 . 1 1 A 22 22 ILE CB C 22 40.142 39.612 0.530 2
1 281 . 1 1 A 22 22 ILE N N 22 124.020 124.378 -0.358 2
1 282 . 1 1 A 23 23 THR H H 23 9.104 8.536 0.568 2
1 283 . 1 1 A 23 23 THR HA H 23 4.597 4.698 -0.101 2
1 288 . 1 1 A 23 23 THR C C 23 175.820 176.023 -0.203 2
1 289 . 1 1 A 23 23 THR CA C 23 61.139 60.598 0.541 2
1 290 . 1 1 A 23 23 THR CB C 23 71.396 71.339 0.057 2
1 292 . 1 1 A 23 23 THR N N 23 120.184 117.909 2.275 2
1 293 . 1 1 A 24 24 GLU H H 24 9.011 9.039 -0.028 2
1 294 . 1 1 A 24 24 GLU HA H 24 3.965 4.013 -0.048 2
1 299 . 1 1 A 24 24 GLU C C 24 180.012 178.931 1.081 2
1 300 . 1 1 A 24 24 GLU CA C 24 60.049 59.909 0.140 2
1 301 . 1 1 A 24 24 GLU CB C 24 29.095 29.257 -0.162 2
1 303 . 1 1 A 24 24 GLU N N 24 120.289 121.525 -1.236 2
1 304 . 1 1 A 25 25 GLU H H 25 8.917 8.235 0.682 2
1 305 . 1 1 A 25 25 GLU HA H 25 4.116 4.059 0.057 2
1 310 . 1 1 A 25 25 GLU C C 25 180.164 179.118 1.046 2
1 311 . 1 1 A 25 25 GLU CA C 25 60.042 59.431 0.611 2
1 312 . 1 1 A 25 25 GLU CB C 25 29.131 29.152 -0.021 2
1 314 . 1 1 A 25 25 GLU N N 25 120.676 119.995 0.681 2
1 315 . 1 1 A 26 26 GLU H H 26 7.837 7.923 -0.086 2
1 316 . 1 1 A 26 26 GLU HA H 26 4.074 4.064 0.010 2
1 321 . 1 1 A 26 26 GLU C C 26 179.093 179.224 -0.131 2
1 322 . 1 1 A 26 26 GLU CA C 26 58.684 59.061 -0.377 2
1 323 . 1 1 A 26 26 GLU CB C 26 30.606 29.310 1.296 2
1 325 . 1 1 A 26 26 GLU N N 26 121.997 119.034 2.963 2
1 326 . 1 1 A 27 27 LYS H H 27 8.659 8.206 0.453 2
1 327 . 1 1 A 27 27 LYS HA H 27 3.964 4.019 -0.055 2
1 336 . 1 1 A 27 27 LYS C C 27 179.776 179.075 0.701 2
1 337 . 1 1 A 27 27 LYS CA C 27 60.129 59.381 0.748 2
1 338 . 1 1 A 27 27 LYS CB C 27 32.537 32.260 0.277 2
1 342 . 1 1 A 27 27 LYS N N 27 121.367 119.769 1.598 2
1 343 . 1 1 A 28 28 ALA H H 28 7.648 8.222 -0.574 2
1 344 . 1 1 A 28 28 ALA HA H 28 4.216 4.068 0.148 2
1 348 . 1 1 A 28 28 ALA C C 28 180.525 179.022 1.503 2
1 349 . 1 1 A 28 28 ALA CA C 28 55.014 55.123 -0.109 2
1 350 . 1 1 A 28 28 ALA CB C 28 17.610 18.326 -0.716 2
1 351 . 1 1 A 28 28 ALA N N 28 122.685 122.111 0.574 2
1 352 . 1 1 A 29 29 GLU H H 29 7.915 8.245 -0.330 2
1 353 . 1 1 A 29 29 GLU HA H 29 3.971 4.042 -0.071 2
1 358 . 1 1 A 29 29 GLU C C 29 178.193 178.585 -0.392 2
1 359 . 1 1 A 29 29 GLU CA C 29 59.269 59.532 -0.263 2
1 360 . 1 1 A 29 29 GLU CB C 29 29.467 29.126 0.341 2
1 362 . 1 1 A 29 29 GLU N N 29 122.691 118.339 4.352 2
1 363 . 1 1 A 30 30 GLN H H 30 8.891 8.319 0.572 2
1 364 . 1 1 A 30 30 GLN HA H 30 3.805 3.980 -0.175 2
1 371 . 1 1 A 30 30 GLN C C 30 177.828 178.384 -0.556 2
1 372 . 1 1 A 30 30 GLN CA C 30 59.703 59.151 0.552 2
1 373 . 1 1 A 30 30 GLN CB C 30 29.404 28.267 1.137 2
1 376 . 1 1 A 30 30 GLN N N 30 119.325 118.808 0.517 2
1 378 . 1 1 A 31 31 GLN H H 31 7.874 7.963 -0.089 2
1 379 . 1 1 A 31 31 GLN HA H 31 4.085 3.977 0.108 2
1 386 . 1 1 A 31 31 GLN C C 31 178.371 178.248 0.123 2
1 387 . 1 1 A 31 31 GLN CA C 31 58.842 59.007 -0.165 2
1 388 . 1 1 A 31 31 GLN CB C 31 28.283 28.338 -0.055 2
1 391 . 1 1 A 31 31 GLN N N 31 118.010 118.915 -0.905 2
1 393 . 1 1 A 32 32 LYS H H 32 7.739 7.828 -0.089 2
1 394 . 1 1 A 32 32 LYS HA H 32 4.096 4.075 0.021 2
1 403 . 1 1 A 32 32 LYS C C 32 179.952 179.080 0.872 2
1 404 . 1 1 A 32 32 LYS CA C 32 59.708 59.405 0.303 2
1 405 . 1 1 A 32 32 LYS CB C 32 32.403 32.172 0.231 2
1 409 . 1 1 A 32 32 LYS N N 32 120.842 120.319 0.523 2
1 410 . 1 1 A 33 33 LEU H H 33 8.617 8.540 0.077 2
1 411 . 1 1 A 33 33 LEU HA H 33 4.153 3.991 0.162 2
1 421 . 1 1 A 33 33 LEU C C 33 179.446 179.318 0.128 2
1 422 . 1 1 A 33 33 LEU CA C 33 57.774 57.847 -0.073 2
1 423 . 1 1 A 33 33 LEU CB C 33 42.585 41.258 1.327 2
1 427 . 1 1 A 33 33 LEU N N 33 120.088 119.516 0.572 2
1 428 . 1 1 A 34 34 ARG H H 34 8.413 8.349 0.064 2
1 429 . 1 1 A 34 34 ARG HA H 34 4.009 4.029 -0.020 2
1 436 . 1 1 A 34 34 ARG C C 34 178.614 179.093 -0.479 2
1 437 . 1 1 A 34 34 ARG CA C 34 59.839 59.450 0.389 2
1 438 . 1 1 A 34 34 ARG CB C 34 29.772 29.702 0.070 2
1 441 . 1 1 A 34 34 ARG N N 34 119.206 119.461 -0.255 2
1 442 . 1 1 A 35 35 GLN H H 35 7.850 7.951 -0.101 2
1 443 . 1 1 A 35 35 GLN HA H 35 4.085 4.135 -0.050 2
1 450 . 1 1 A 35 35 GLN C C 35 178.621 178.951 -0.330 2
1 451 . 1 1 A 35 35 GLN CA C 35 58.771 58.916 -0.145 2
1 452 . 1 1 A 35 35 GLN CB C 35 28.331 28.407 -0.076 2
1 455 . 1 1 A 35 35 GLN N N 35 117.434 119.182 -1.748 2
1 457 . 1 1 A 36 36 GLU H H 36 7.939 8.008 -0.069 2
1 458 . 1 1 A 36 36 GLU HA H 36 4.015 4.065 -0.050 2
1 463 . 1 1 A 36 36 GLU C C 36 178.975 178.836 0.139 2
1 464 . 1 1 A 36 36 GLU CA C 36 59.271 59.241 0.030 2
1 465 . 1 1 A 36 36 GLU CB C 36 29.750 29.488 0.262 2
1 467 . 1 1 A 36 36 GLU N N 36 119.554 120.862 -1.308 2
1 468 . 1 1 A 37 37 TYR H H 37 8.578 8.213 0.365 2
1 469 . 1 1 A 37 37 TYR HA H 37 4.164 4.138 0.026 2
1 476 . 1 1 A 37 37 TYR C C 37 177.550 177.190 0.360 2
1 477 . 1 1 A 37 37 TYR CA C 37 60.590 61.142 -0.552 2
1 478 . 1 1 A 37 37 TYR CB C 37 38.709 38.707 0.002 2
1 483 . 1 1 A 37 37 TYR N N 37 120.782 122.020 -1.238 2
1 484 . 1 1 A 38 38 LEU H H 38 8.229 8.011 0.218 2
1 485 . 1 1 A 38 38 LEU HA H 38 4.072 4.265 -0.193 2
1 495 . 1 1 A 38 38 LEU C C 38 178.983 177.152 1.831 2
1 496 . 1 1 A 38 38 LEU CA C 38 57.053 56.584 0.469 2
1 497 . 1 1 A 38 38 LEU CB C 38 42.020 41.992 0.028 2
1 501 . 1 1 A 38 38 LEU N N 38 119.275 119.600 -0.325 2
1 502 . 1 1 A 39 39 LYS H H 39 7.790 7.418 0.372 2
1 503 . 1 1 A 39 39 LYS HA H 39 4.152 4.108 0.044 2
1 512 . 1 1 A 39 39 LYS C C 39 178.123 177.229 0.894 2
1 513 . 1 1 A 39 39 LYS CA C 39 58.197 58.128 0.069 2
1 514 . 1 1 A 39 39 LYS CB C 39 32.466 31.696 0.770 2
1 518 . 1 1 A 39 39 LYS N N 39 118.917 119.550 -0.633 2
1 519 . 1 1 A 40 40 GLY H H 40 7.885 8.735 -0.850 2
1 520 . 1 1 A 40 40 GLY HA2 H 40 3.970 3.935 0.035 2
1 521 . 1 1 A 40 40 GLY HA3 H 40 3.768 3.952 -0.184 2
1 522 . 1 1 A 40 40 GLY C C 40 174.349 174.531 -0.182 2
1 523 . 1 1 A 40 40 GLY CA C 40 45.758 45.410 0.348 2
1 524 . 1 1 A 40 40 GLY N N 40 106.796 111.460 -4.664 2
1 525 . 1 1 A 41 41 PHE H H 41 7.859 7.933 -0.074 2
1 526 . 1 1 A 41 41 PHE HA H 41 4.455 4.366 0.089 2
1 534 . 1 1 A 41 41 PHE C C 41 176.028 175.526 0.502 2
1 535 . 1 1 A 41 41 PHE CA C 41 58.735 58.531 0.204 2
1 536 . 1 1 A 41 41 PHE CB C 41 39.408 39.565 -0.157 2
1 542 . 1 1 A 41 41 PHE N N 41 120.317 121.370 -1.053 2
1 543 . 1 1 A 42 42 ARG H H 42 8.044 8.241 -0.197 2
1 544 . 1 1 A 42 42 ARG HA H 42 4.269 4.321 -0.052 2
1 551 . 1 1 A 42 42 ARG C C 42 176.487 175.550 0.937 2
1 552 . 1 1 A 42 42 ARG CA C 42 56.505 56.083 0.422 2
1 553 . 1 1 A 42 42 ARG CB C 42 30.801 30.726 0.075 2
1 556 . 1 1 A 42 42 ARG N N 42 121.581 122.453 -0.872 2
1 557 . 1 1 A 43 43 SER H H 43 8.218 8.423 -0.205 2
1 558 . 1 1 A 43 43 SER HA H 43 4.389 4.581 -0.192 2
1 561 . 1 1 A 43 43 SER C C 43 174.872 173.825 1.047 2
1 562 . 1 1 A 43 43 SER CA C 43 58.809 58.092 0.717 2
1 563 . 1 1 A 43 43 SER CB C 43 63.615 63.681 -0.066 2
1 564 . 1 1 A 43 43 SER N N 43 116.338 116.784 -0.446 2
1 565 . 1 1 A 44 44 SER H H 44 8.247 8.402 -0.155 2
1 566 . 1 1 A 44 44 SER HA H 44 4.441 4.524 -0.083 2
1 569 . 1 1 A 44 44 SER C C 44 174.653 174.119 0.534 2
1 570 . 1 1 A 44 44 SER CA C 44 58.697 58.751 -0.054 2
1 571 . 1 1 A 44 44 SER CB C 44 63.743 63.521 0.222 2
1 572 . 1 1 A 44 44 SER N N 44 117.375 118.864 -1.489 2
1 573 . 1 1 A 45 45 MET H H 45 8.194 8.445 -0.251 2
1 574 . 1 1 A 45 45 MET HA H 45 4.417 4.591 -0.174 2
1 579 . 1 1 A 45 45 MET C C 45 176.033 175.815 0.218 2
1 580 . 1 1 A 45 45 MET CA C 45 55.795 55.477 0.318 2
1 581 . 1 1 A 45 45 MET CB C 45 32.840 33.212 -0.372 2
1 583 . 1 1 A 45 45 MET N N 45 122.021 122.876 -0.855 2
1 584 . 1 1 A 46 46 LYS H H 46 8.220 8.454 -0.233 2
1 585 . 1 1 A 46 46 LYS HA H 46 4.276 4.513 -0.237 2
1 594 . 1 1 A 46 46 LYS C C 46 176.299 175.590 0.709 2
1 595 . 1 1 A 46 46 LYS CA C 46 56.399 56.018 0.381 2
1 596 . 1 1 A 46 46 LYS CB C 46 32.834 32.918 -0.084 2
1 600 . 1 1 A 46 46 LYS N N 46 122.277 122.532 -0.255 2
1 601 . 1 1 A 47 47 LEU H H 47 8.210 8.210 0.000 2
1 602 . 1 1 A 47 47 LEU HA H 47 4.299 4.673 -0.374 2
1 612 . 1 1 A 47 47 LEU C C 47 177.189 175.906 1.283 2
1 613 . 1 1 A 47 47 LEU CA C 47 55.134 54.263 0.871 2
1 614 . 1 1 A 47 47 LEU CB C 47 42.301 43.529 -1.228 2
1 618 . 1 1 A 47 47 LEU N N 47 123.549 122.942 0.607 2
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