data_15677_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15677
_Entry.PDB_ID 2K1E
_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 ALA H H 2 8.742 8.853 -0.111 1
1 10 . 1 1 1 A 2 2 ALA HA H 2 4.302 4.505 -0.203 1
1 14 . 1 1 1 A 2 2 ALA C C 2 177.216 177.863 -0.647 1
1 15 . 1 1 1 A 2 2 ALA CA C 2 52.876 51.896 0.980 1
1 16 . 1 1 1 A 2 2 ALA CB C 2 19.182 19.412 -0.230 1
1 17 . 1 1 1 A 2 2 ALA N N 2 124.657 124.729 -0.072 1
1 18 . 1 1 1 A 3 3 ASP H H 3 8.432 8.936 -0.504 1
1 19 . 1 1 1 A 3 3 ASP HA H 3 4.530 4.223 0.307 1
1 22 . 1 1 1 A 3 3 ASP C C 3 176.023 177.335 -1.312 1
1 23 . 1 1 1 A 3 3 ASP CA C 3 53.721 57.168 -3.447 1
1 24 . 1 1 1 A 3 3 ASP CB C 3 38.752 40.294 -1.542 1
1 25 . 1 1 1 A 3 3 ASP N N 3 118.729 122.492 -3.763 1
1 26 . 1 1 1 A 4 4 HIS H H 4 8.549 7.759 0.790 1
1 27 . 1 1 1 A 4 4 HIS HA H 4 4.568 4.540 0.028 1
1 32 . 1 1 1 A 4 4 HIS C C 4 175.101 176.538 -1.437 1
1 33 . 1 1 1 A 4 4 HIS CA C 4 56.640 56.756 -0.116 1
1 34 . 1 1 1 A 4 4 HIS CB C 4 28.961 29.362 -0.401 1
1 37 . 1 1 1 A 4 4 HIS N N 4 119.650 115.933 3.717 1
1 38 . 1 1 1 A 5 5 GLU H H 5 8.330 7.973 0.357 1
1 39 . 1 1 1 A 5 5 GLU HA H 5 4.207 4.062 0.145 1
1 44 . 1 1 1 A 5 5 GLU C C 5 175.749 179.305 -3.556 1
1 45 . 1 1 1 A 5 5 GLU CA C 5 56.594 58.932 -2.338 1
1 46 . 1 1 1 A 5 5 GLU CB C 5 29.285 29.886 -0.601 1
1 48 . 1 1 1 A 5 5 GLU N N 5 120.937 120.299 0.638 1
1 49 . 1 1 1 A 6 6 ARG H H 6 8.325 7.710 0.615 1
1 50 . 1 1 1 A 6 6 ARG HA H 6 4.571 4.027 0.544 1
1 62 . 1 1 1 A 6 6 ARG C C 6 177.578 178.578 -1.000 1
1 63 . 1 1 1 A 6 6 ARG CA C 6 56.716 59.107 -2.391 1
1 64 . 1 1 1 A 6 6 ARG CB C 6 30.744 30.001 0.743 1
1 67 . 1 1 1 A 6 6 ARG N N 6 120.267 119.428 0.839 1
1 69 . 1 1 1 A 7 7 GLU H H 7 8.136 7.490 0.646 1
1 70 . 1 1 1 A 7 7 GLU HA H 7 4.165 4.085 0.080 1
1 75 . 1 1 1 A 7 7 GLU C C 7 177.156 178.651 -1.495 1
1 76 . 1 1 1 A 7 7 GLU CA C 7 57.125 58.828 -1.703 1
1 77 . 1 1 1 A 7 7 GLU CB C 7 30.149 28.980 1.169 1
1 79 . 1 1 1 A 7 7 GLU N N 7 121.008 119.794 1.214 1
1 80 . 1 1 1 A 8 8 ALA H H 8 8.325 7.928 0.397 1
1 81 . 1 1 1 A 8 8 ALA HA H 8 4.212 4.020 0.192 1
1 85 . 1 1 1 A 8 8 ALA C C 8 178.913 178.884 0.029 1
1 86 . 1 1 1 A 8 8 ALA CA C 8 52.832 55.518 -2.686 1
1 87 . 1 1 1 A 8 8 ALA CB C 8 18.909 18.250 0.659 1
1 88 . 1 1 1 A 8 8 ALA N N 8 124.538 122.184 2.354 1
1 89 . 1 1 1 A 9 9 GLN H H 9 8.159 8.160 -0.001 1
1 90 . 1 1 1 A 9 9 GLN HA H 9 4.140 3.940 0.200 1
1 97 . 1 1 1 A 9 9 GLN C C 9 175.771 177.954 -2.183 1
1 98 . 1 1 1 A 9 9 GLN CA C 9 57.655 59.333 -1.678 1
1 99 . 1 1 1 A 9 9 GLN CB C 9 28.606 28.193 0.413 1
1 101 . 1 1 1 A 9 9 GLN N N 9 124.103 118.001 6.102 1
1 103 . 1 1 1 A 10 10 LYS H H 10 8.148 7.948 0.200 1
1 104 . 1 1 1 A 10 10 LYS HA H 10 4.204 4.022 0.182 1
1 113 . 1 1 1 A 10 10 LYS C C 10 177.798 178.578 -0.780 1
1 114 . 1 1 1 A 10 10 LYS CA C 10 57.139 59.073 -1.934 1
1 115 . 1 1 1 A 10 10 LYS CB C 10 33.040 32.117 0.923 1
1 119 . 1 1 1 A 10 10 LYS N N 10 120.635 119.076 1.559 1
1 120 . 1 1 1 A 11 11 ALA H H 11 8.148 7.995 0.153 1
1 121 . 1 1 1 A 11 11 ALA HA H 11 4.140 4.004 0.136 1
1 125 . 1 1 1 A 11 11 ALA C C 11 178.173 179.872 -1.699 1
1 126 . 1 1 1 A 11 11 ALA CA C 11 53.351 54.910 -1.559 1
1 127 . 1 1 1 A 11 11 ALA CB C 11 19.128 18.112 1.016 1
1 128 . 1 1 1 A 11 11 ALA N N 11 123.171 120.551 2.620 1
1 129 . 1 1 1 A 12 12 GLU H H 12 8.248 7.654 0.594 1
1 130 . 1 1 1 A 12 12 GLU HA H 12 4.222 3.949 0.273 1
1 135 . 1 1 1 A 12 12 GLU C C 12 176.385 179.301 -2.916 1
1 136 . 1 1 1 A 12 12 GLU CA C 12 57.442 59.361 -1.919 1
1 137 . 1 1 1 A 12 12 GLU CB C 12 30.001 29.150 0.851 1
1 139 . 1 1 1 A 12 12 GLU N N 12 119.451 118.583 0.868 1
1 140 . 1 1 1 A 13 13 GLU H H 13 8.372 7.939 0.433 1
1 141 . 1 1 1 A 13 13 GLU HA H 13 4.265 4.076 0.189 1
1 146 . 1 1 1 A 13 13 GLU C C 13 178.060 178.853 -0.793 1
1 147 . 1 1 1 A 13 13 GLU CA C 13 56.828 59.204 -2.376 1
1 148 . 1 1 1 A 13 13 GLU CB C 13 30.082 29.261 0.821 1
1 150 . 1 1 1 A 13 13 GLU N N 13 121.080 120.161 0.919 1
1 151 . 1 1 1 A 14 14 GLU H H 14 8.152 7.600 0.552 1
1 152 . 1 1 1 A 14 14 GLU HA H 14 4.142 4.074 0.068 1
1 157 . 1 1 1 A 14 14 GLU C C 14 176.274 178.673 -2.399 1
1 158 . 1 1 1 A 14 14 GLU CA C 14 56.892 59.027 -2.135 1
1 159 . 1 1 1 A 14 14 GLU CB C 14 28.169 29.335 -1.166 1
1 161 . 1 1 1 A 14 14 GLU N N 14 120.236 120.133 0.103 1
1 162 . 1 1 1 A 15 15 LEU H H 15 8.301 7.721 0.580 1
1 163 . 1 1 1 A 15 15 LEU HA H 15 4.224 4.015 0.209 1
1 173 . 1 1 1 A 15 15 LEU C C 15 177.983 178.665 -0.682 1
1 174 . 1 1 1 A 15 15 LEU CA C 15 56.344 57.544 -1.200 1
1 175 . 1 1 1 A 15 15 LEU CB C 15 42.250 41.874 0.376 1
1 179 . 1 1 1 A 15 15 LEU N N 15 123.072 121.245 1.827 1
1 180 . 1 1 1 A 16 16 GLN H H 16 8.132 8.181 -0.049 1
1 181 . 1 1 1 A 16 16 GLN HA H 16 4.145 4.149 -0.004 1
1 188 . 1 1 1 A 16 16 GLN C C 16 177.674 178.839 -1.165 1
1 189 . 1 1 1 A 16 16 GLN CA C 16 57.971 58.431 -0.460 1
1 190 . 1 1 1 A 16 16 GLN CB C 16 29.889 28.334 1.555 1
1 192 . 1 1 1 A 16 16 GLN N N 16 119.160 118.303 0.857 1
1 194 . 1 1 1 A 17 17 LYS H H 17 8.214 7.502 0.712 1
1 195 . 1 1 1 A 17 17 LYS HA H 17 4.140 4.192 -0.052 1
1 204 . 1 1 1 A 17 17 LYS C C 17 177.646 178.982 -1.336 1
1 205 . 1 1 1 A 17 17 LYS CA C 17 57.115 59.072 -1.957 1
1 206 . 1 1 1 A 17 17 LYS CB C 17 32.833 32.212 0.621 1
1 210 . 1 1 1 A 17 17 LYS N N 17 120.310 120.858 -0.548 1
1 211 . 1 1 1 A 18 18 VAL H H 18 7.871 7.482 0.389 1
1 212 . 1 1 1 A 18 18 VAL HA H 18 4.108 3.570 0.538 1
1 220 . 1 1 1 A 18 18 VAL C C 18 177.476 178.110 -0.634 1
1 221 . 1 1 1 A 18 18 VAL CA C 18 63.634 66.478 -2.844 1
1 222 . 1 1 1 A 18 18 VAL CB C 18 31.886 31.319 0.567 1
1 225 . 1 1 1 A 18 18 VAL N N 18 120.571 120.345 0.226 1
1 226 . 1 1 1 A 19 19 LEU H H 19 8.180 7.925 0.255 1
1 227 . 1 1 1 A 19 19 LEU HA H 19 4.042 3.886 0.156 1
1 237 . 1 1 1 A 19 19 LEU C C 19 179.462 179.342 0.120 1
1 238 . 1 1 1 A 19 19 LEU CA C 19 57.653 58.249 -0.596 1
1 239 . 1 1 1 A 19 19 LEU CB C 19 41.800 41.261 0.539 1
1 243 . 1 1 1 A 19 19 LEU N N 19 122.936 121.013 1.923 1
1 244 . 1 1 1 A 20 20 GLU H H 20 8.122 7.823 0.299 1
1 245 . 1 1 1 A 20 20 GLU HA H 20 4.156 3.973 0.183 1
1 250 . 1 1 1 A 20 20 GLU C C 20 178.001 179.427 -1.426 1
1 251 . 1 1 1 A 20 20 GLU CA C 20 58.045 59.987 -1.942 1
1 252 . 1 1 1 A 20 20 GLU CB C 20 30.092 29.169 0.923 1
1 254 . 1 1 1 A 20 20 GLU N N 20 118.745 117.895 0.850 1
1 255 . 1 1 1 A 21 21 GLU H H 21 8.190 7.926 0.264 1
1 256 . 1 1 1 A 21 21 GLU HA H 21 4.144 4.141 0.003 1
1 261 . 1 1 1 A 21 21 GLU C C 21 177.290 179.390 -2.100 1
1 262 . 1 1 1 A 21 21 GLU CA C 21 58.109 59.000 -0.891 1
1 263 . 1 1 1 A 21 21 GLU CB C 21 29.868 28.549 1.319 1
1 265 . 1 1 1 A 21 21 GLU N N 21 119.542 119.894 -0.352 1
1 266 . 1 1 1 A 22 22 ALA H H 22 8.092 8.432 -0.340 1
1 267 . 1 1 1 A 22 22 ALA HA H 22 4.173 4.234 -0.061 1
1 271 . 1 1 1 A 22 22 ALA C C 22 179.020 179.558 -0.538 1
1 272 . 1 1 1 A 22 22 ALA CA C 22 53.944 55.337 -1.393 1
1 273 . 1 1 1 A 22 22 ALA CB C 22 18.578 18.245 0.333 1
1 274 . 1 1 1 A 22 22 ALA N N 22 123.378 123.632 -0.254 1
1 275 . 1 1 1 A 23 23 SER H H 23 8.079 8.312 -0.233 1
1 276 . 1 1 1 A 23 23 SER HA H 23 4.300 4.389 -0.089 1
1 279 . 1 1 1 A 23 23 SER C C 23 173.125 176.223 -3.098 1
1 280 . 1 1 1 A 23 23 SER CA C 23 59.414 61.617 -2.203 1
1 281 . 1 1 1 A 23 23 SER CB C 23 63.520 63.116 0.404 1
1 282 . 1 1 1 A 23 23 SER N N 23 114.637 113.322 1.315 1
1 283 . 1 1 1 A 24 24 LYS H H 24 8.032 7.412 0.620 1
1 284 . 1 1 1 A 24 24 LYS HA H 24 4.325 4.158 0.167 1
1 293 . 1 1 1 A 24 24 LYS C C 24 175.423 179.162 -3.739 1
1 294 . 1 1 1 A 24 24 LYS CA C 24 57.273 59.373 -2.100 1
1 295 . 1 1 1 A 24 24 LYS CB C 24 31.200 32.369 -1.169 1
1 299 . 1 1 1 A 24 24 LYS N N 24 122.635 120.581 2.054 1
1 300 . 1 1 1 A 25 25 LYS H H 25 8.042 8.053 -0.011 1
1 301 . 1 1 1 A 25 25 LYS HA H 25 4.169 4.060 0.109 1
1 310 . 1 1 1 A 25 25 LYS C C 25 177.025 179.067 -2.042 1
1 311 . 1 1 1 A 25 25 LYS CA C 25 56.876 59.504 -2.628 1
1 312 . 1 1 1 A 25 25 LYS CB C 25 31.200 32.166 -0.966 1
1 316 . 1 1 1 A 25 25 LYS N N 25 121.079 119.004 2.075 1
1 317 . 1 1 1 A 26 26 ALA H H 26 8.103 8.486 -0.383 1
1 318 . 1 1 1 A 26 26 ALA HA H 26 4.196 3.878 0.318 1
1 322 . 1 1 1 A 26 26 ALA C C 26 178.418 179.626 -1.208 1
1 323 . 1 1 1 A 26 26 ALA CA C 26 53.049 55.204 -2.155 1
1 324 . 1 1 1 A 26 26 ALA CB C 26 19.055 18.241 0.814 1
1 325 . 1 1 1 A 26 26 ALA N N 26 124.589 121.841 2.748 1
1 326 . 1 1 1 A 27 27 VAL H H 27 8.030 7.437 0.593 1
1 327 . 1 1 1 A 27 27 VAL HA H 27 3.945 3.585 0.360 1
1 335 . 1 1 1 A 27 27 VAL C C 27 179.177 177.957 1.220 1
1 336 . 1 1 1 A 27 27 VAL CA C 27 63.001 64.969 -1.968 1
1 337 . 1 1 1 A 27 27 VAL CB C 27 32.449 31.281 1.168 1
1 340 . 1 1 1 A 27 27 VAL N N 27 119.340 117.078 2.262 1
1 341 . 1 1 1 A 28 28 GLU H H 28 8.187 7.560 0.627 1
1 342 . 1 1 1 A 28 28 GLU HA H 28 4.166 3.984 0.182 1
1 347 . 1 1 1 A 28 28 GLU C C 28 176.411 178.217 -1.806 1
1 348 . 1 1 1 A 28 28 GLU CA C 28 57.290 59.076 -1.786 1
1 349 . 1 1 1 A 28 28 GLU CB C 28 30.025 29.524 0.501 1
1 351 . 1 1 1 A 28 28 GLU N N 28 120.351 121.155 -0.804 1
1 352 . 1 1 1 A 29 29 ALA H H 29 8.173 8.461 -0.288 1
1 353 . 1 1 1 A 29 29 ALA HA H 29 4.230 4.033 0.197 1
1 357 . 1 1 1 A 29 29 ALA C C 29 176.924 179.807 -2.883 1
1 358 . 1 1 1 A 29 29 ALA CA C 29 53.338 55.077 -1.739 1
1 359 . 1 1 1 A 29 29 ALA CB C 29 18.964 18.235 0.729 1
1 360 . 1 1 1 A 29 29 ALA N N 29 124.463 121.489 2.974 1
1 361 . 1 1 1 A 30 30 GLU H H 30 8.239 8.252 -0.013 1
1 362 . 1 1 1 A 30 30 GLU HA H 30 4.251 4.130 0.121 1
1 367 . 1 1 1 A 30 30 GLU C C 30 175.016 177.768 -2.752 1
1 368 . 1 1 1 A 30 30 GLU CA C 30 58.033 58.805 -0.772 1
1 369 . 1 1 1 A 30 30 GLU CB C 30 29.996 30.028 -0.032 1
1 371 . 1 1 1 A 30 30 GLU N N 30 122.971 117.651 5.320 1
1 372 . 1 1 1 A 31 31 ARG H H 31 8.261 8.031 0.230 1
1 373 . 1 1 1 A 31 31 ARG HA H 31 4.255 4.080 0.175 1
1 385 . 1 1 1 A 31 31 ARG C C 31 176.727 176.656 0.071 1
1 386 . 1 1 1 A 31 31 ARG CA C 31 56.565 56.761 -0.196 1
1 387 . 1 1 1 A 31 31 ARG CB C 31 30.783 29.853 0.930 1
1 390 . 1 1 1 A 31 31 ARG N N 31 121.894 119.990 1.904 1
1 392 . 1 1 1 A 32 32 GLY H H 32 8.302 8.379 -0.077 1
1 393 . 1 1 1 A 32 32 GLY HA2 H 32 3.852 4.010 -0.158 1
1 394 . 1 1 1 A 32 32 GLY HA3 H 32 3.852 4.011 -0.159 1
1 395 . 1 1 1 A 32 32 GLY C C 32 173.994 174.708 -0.714 1
1 396 . 1 1 1 A 32 32 GLY CA C 32 45.077 45.231 -0.154 1
1 397 . 1 1 1 A 32 32 GLY N N 32 109.773 113.434 -3.661 1
1 398 . 1 1 1 A 33 33 ALA H H 33 8.011 7.885 0.126 1
1 399 . 1 1 1 A 33 33 ALA HA H 33 4.212 4.549 -0.337 1
1 403 . 1 1 1 A 33 33 ALA CA C 33 50.522 50.736 -0.214 1
1 404 . 1 1 1 A 33 33 ALA CB C 33 18.962 19.613 -0.651 1
1 405 . 1 1 1 A 33 33 ALA N N 33 123.601 123.883 -0.282 1
1 406 . 1 1 1 A 34 34 PRO HA H 34 4.352 4.305 0.047 1
1 413 . 1 1 1 A 34 34 PRO C C 34 177.746 177.580 0.166 1
1 414 . 1 1 1 A 34 34 PRO CA C 34 63.520 63.732 -0.212 1
1 415 . 1 1 1 A 34 34 PRO CB C 34 31.938 31.557 0.381 1
1 418 . 1 1 1 A 35 35 GLY H H 35 8.433 8.837 -0.404 1
1 419 . 1 1 1 A 35 35 GLY HA2 H 35 3.848 3.970 -0.122 1
1 420 . 1 1 1 A 35 35 GLY HA3 H 35 3.848 3.991 -0.143 1
1 421 . 1 1 1 A 35 35 GLY C C 35 173.266 175.305 -2.039 1
1 422 . 1 1 1 A 35 35 GLY CA C 35 45.405 44.894 0.511 1
1 423 . 1 1 1 A 35 35 GLY N N 35 109.298 112.060 -2.762 1
1 424 . 1 1 1 A 36 36 ALA H H 36 8.095 7.773 0.322 1
1 425 . 1 1 1 A 36 36 ALA HA H 36 4.196 4.234 -0.038 1
1 429 . 1 1 1 A 36 36 ALA C C 36 177.944 177.206 0.738 1
1 430 . 1 1 1 A 36 36 ALA CA C 36 52.551 52.372 0.179 1
1 431 . 1 1 1 A 36 36 ALA CB C 36 19.485 19.643 -0.158 1
1 432 . 1 1 1 A 36 36 ALA N N 36 124.605 122.765 1.840 1
1 433 . 1 1 1 A 37 37 ALA H H 37 8.199 8.690 -0.491 1
1 434 . 1 1 1 A 37 37 ALA HA H 37 4.491 4.587 -0.096 1
1 438 . 1 1 1 A 37 37 ALA C C 37 177.456 177.355 0.101 1
1 439 . 1 1 1 A 37 37 ALA CA C 37 52.453 51.707 0.746 1
1 440 . 1 1 1 A 37 37 ALA CB C 37 19.060 20.890 -1.830 1
1 441 . 1 1 1 A 37 37 ALA N N 37 123.695 120.423 3.272 1
1 442 . 1 1 1 A 38 38 LEU H H 38 8.099 8.222 -0.123 1
1 443 . 1 1 1 A 38 38 LEU HA H 38 4.243 3.883 0.360 1
1 453 . 1 1 1 A 38 38 LEU C C 38 177.358 176.252 1.106 1
1 454 . 1 1 1 A 38 38 LEU CA C 38 55.218 57.831 -2.613 1
1 455 . 1 1 1 A 38 38 LEU CB C 38 42.228 41.627 0.601 1
1 459 . 1 1 1 A 38 38 LEU N N 38 121.531 120.580 0.951 1
1 460 . 1 1 1 A 39 39 ILE H H 39 7.966 7.754 0.212 1
1 461 . 1 1 1 A 39 39 ILE HA H 39 4.136 3.933 0.203 1
1 471 . 1 1 1 A 39 39 ILE C C 39 175.586 174.919 0.667 1
1 472 . 1 1 1 A 39 39 ILE CA C 39 60.873 63.291 -2.418 1
1 473 . 1 1 1 A 39 39 ILE CB C 39 38.727 37.302 1.425 1
1 477 . 1 1 1 A 39 39 ILE N N 39 121.669 118.989 2.680 1
1 478 . 1 1 1 A 40 40 SER H H 40 8.101 8.611 -0.510 1
1 479 . 1 1 1 A 40 40 SER HA H 40 4.347 4.246 0.101 1
1 482 . 1 1 1 A 40 40 SER C C 40 173.336 175.209 -1.873 1
1 483 . 1 1 1 A 40 40 SER CA C 40 57.331 59.844 -2.513 1
1 484 . 1 1 1 A 40 40 SER CB C 40 63.983 63.701 0.282 1
1 485 . 1 1 1 A 40 40 SER N N 40 119.591 121.438 -1.847 1
1 486 . 1 1 1 A 41 41 TYR H H 41 8.100 8.647 -0.547 1
1 487 . 1 1 1 A 41 41 TYR HA H 41 4.436 4.244 0.192 1
1 494 . 1 1 1 A 41 41 TYR CA C 41 56.067 61.408 -5.341 1
1 495 . 1 1 1 A 41 41 TYR CB C 41 38.244 37.716 0.528 1
1 496 . 1 1 1 A 41 41 TYR N N 41 122.744 123.493 -0.749 1
1 497 . 1 1 1 A 42 42 PRO HA H 42 4.281 4.443 -0.162 1
1 504 . 1 1 1 A 42 42 PRO C C 42 176.765 176.656 0.109 1
1 505 . 1 1 1 A 42 42 PRO CA C 42 63.650 64.641 -0.991 1
1 506 . 1 1 1 A 42 42 PRO CB C 42 30.513 31.368 -0.855 1
1 509 . 1 1 1 A 43 43 ASP H H 43 8.305 8.068 0.237 1
1 510 . 1 1 1 A 43 43 ASP HA H 43 4.548 4.799 -0.251 1
1 513 . 1 1 1 A 43 43 ASP C C 43 175.135 177.276 -2.141 1
1 514 . 1 1 1 A 43 43 ASP CA C 43 53.570 54.200 -0.630 1
1 515 . 1 1 1 A 43 43 ASP CB C 43 38.450 41.608 -3.158 1
1 516 . 1 1 1 A 43 43 ASP N N 43 118.052 118.373 -0.321 1
1 517 . 1 1 1 A 44 44 ALA H H 44 8.013 7.772 0.241 1
1 518 . 1 1 1 A 44 44 ALA HA H 44 4.106 4.399 -0.293 1
1 522 . 1 1 1 A 44 44 ALA C C 44 177.969 179.739 -1.770 1
1 523 . 1 1 1 A 44 44 ALA CA C 44 52.867 54.322 -1.455 1
1 524 . 1 1 1 A 44 44 ALA CB C 44 19.023 19.232 -0.209 1
1 525 . 1 1 1 A 44 44 ALA N N 44 123.344 121.180 2.164 1
1 526 . 1 1 1 A 45 45 ILE H H 45 7.860 7.877 -0.017 1
1 527 . 1 1 1 A 45 45 ILE HA H 45 3.855 4.327 -0.472 1
1 537 . 1 1 1 A 45 45 ILE C C 45 176.287 177.783 -1.496 1
1 538 . 1 1 1 A 45 45 ILE CA C 45 61.465 63.897 -2.432 1
1 539 . 1 1 1 A 45 45 ILE CB C 45 38.294 37.658 0.636 1
1 543 . 1 1 1 A 45 45 ILE N N 45 118.636 119.317 -0.681 1
1 544 . 1 1 1 A 46 46 TRP H H 46 7.646 8.098 -0.452 1
1 545 . 1 1 1 A 46 46 TRP HA H 46 4.504 4.602 -0.098 1
1 554 . 1 1 1 A 46 46 TRP C C 46 176.136 178.300 -2.164 1
1 555 . 1 1 1 A 46 46 TRP CA C 46 57.139 59.766 -2.627 1
1 556 . 1 1 1 A 46 46 TRP CB C 46 28.880 29.303 -0.423 1
1 558 . 1 1 1 A 46 46 TRP N N 46 122.947 121.870 1.077 1
1 560 . 1 1 1 A 47 47 TRP H H 47 7.502 8.072 -0.570 1
1 561 . 1 1 1 A 47 47 TRP HA H 47 4.482 4.418 0.064 1
1 570 . 1 1 1 A 47 47 TRP C C 47 176.149 177.615 -1.466 1
1 571 . 1 1 1 A 47 47 TRP CA C 47 57.197 59.404 -2.207 1
1 572 . 1 1 1 A 47 47 TRP CB C 47 29.703 30.083 -0.380 1
1 573 . 1 1 1 A 47 47 TRP N N 47 120.943 121.640 -0.697 1
1 575 . 1 1 1 A 48 48 SER H H 48 7.861 7.913 -0.052 1
1 576 . 1 1 1 A 48 48 SER HA H 48 4.258 4.459 -0.201 1
1 579 . 1 1 1 A 48 48 SER C C 48 174.600 174.139 0.461 1
1 580 . 1 1 1 A 48 48 SER CA C 48 57.844 57.616 0.228 1
1 581 . 1 1 1 A 48 48 SER CB C 48 64.102 61.214 2.888 1
1 582 . 1 1 1 A 48 48 SER N N 48 116.339 113.329 3.010 1
1 583 . 1 1 1 A 49 49 VAL H H 49 7.921 7.613 0.308 1
1 584 . 1 1 1 A 49 49 VAL HA H 49 3.990 4.226 -0.236 1
1 592 . 1 1 1 A 49 49 VAL C C 49 176.402 177.505 -1.103 1
1 593 . 1 1 1 A 49 49 VAL CA C 49 62.909 63.282 -0.373 1
1 594 . 1 1 1 A 49 49 VAL CB C 49 32.467 33.143 -0.676 1
1 597 . 1 1 1 A 49 49 VAL N N 49 121.079 120.202 0.877 1
1 598 . 1 1 1 A 50 50 GLU H H 50 8.229 8.226 0.003 1
1 599 . 1 1 1 A 50 50 GLU HA H 50 4.307 4.013 0.294 1
1 604 . 1 1 1 A 50 50 GLU C C 50 176.506 178.929 -2.423 1
1 605 . 1 1 1 A 50 50 GLU CA C 50 57.040 59.098 -2.058 1
1 606 . 1 1 1 A 50 50 GLU CB C 50 30.123 28.861 1.262 1
1 608 . 1 1 1 A 50 50 GLU N N 50 122.433 119.537 2.896 1
1 609 . 1 1 1 A 51 51 THR H H 51 7.993 8.007 -0.014 1
1 610 . 1 1 1 A 51 51 THR HA H 51 4.248 3.744 0.504 1
1 615 . 1 1 1 A 51 51 THR C C 51 174.430 176.636 -2.206 1
1 616 . 1 1 1 A 51 51 THR CA C 51 62.227 65.448 -3.221 1
1 617 . 1 1 1 A 51 51 THR CB C 51 69.712 68.597 1.115 1
1 619 . 1 1 1 A 51 51 THR N N 51 114.413 115.684 -1.271 1
1 620 . 1 1 1 A 52 52 ALA H H 52 8.160 7.447 0.713 1
1 621 . 1 1 1 A 52 52 ALA HA H 52 4.212 4.112 0.100 1
1 625 . 1 1 1 A 52 52 ALA C C 52 177.976 177.871 0.105 1
1 626 . 1 1 1 A 52 52 ALA CA C 52 53.069 53.765 -0.696 1
1 627 . 1 1 1 A 52 52 ALA CB C 52 19.178 18.556 0.622 1
1 628 . 1 1 1 A 52 52 ALA N N 52 125.641 123.031 2.610 1
1 629 . 1 1 1 A 53 53 THR H H 53 8.022 7.873 0.149 1
1 630 . 1 1 1 A 53 53 THR HA H 53 4.231 4.683 -0.452 1
1 635 . 1 1 1 A 53 53 THR C C 53 174.750 174.296 0.454 1
1 636 . 1 1 1 A 53 53 THR CA C 53 62.231 61.226 1.005 1
1 637 . 1 1 1 A 53 53 THR CB C 53 69.726 68.906 0.820 1
1 639 . 1 1 1 A 53 53 THR N N 53 112.100 111.984 0.116 1
1 640 . 1 1 1 A 54 54 THR H H 54 7.999 8.112 -0.113 1
1 641 . 1 1 1 A 54 54 THR HA H 54 4.303 4.158 0.145 1
1 646 . 1 1 1 A 54 54 THR C C 54 174.592 174.057 0.535 1
1 647 . 1 1 1 A 54 54 THR CA C 54 62.002 63.962 -1.960 1
1 648 . 1 1 1 A 54 54 THR CB C 54 69.793 68.202 1.591 1
1 650 . 1 1 1 A 54 54 THR N N 54 116.238 118.984 -2.746 1
1 651 . 1 1 1 A 55 55 VAL H H 55 8.098 8.607 -0.509 1
1 652 . 1 1 1 A 55 55 VAL HA H 55 4.017 3.648 0.369 1
1 660 . 1 1 1 A 55 55 VAL C C 55 176.453 176.159 0.294 1
1 661 . 1 1 1 A 55 55 VAL CA C 55 62.650 65.205 -2.555 1
1 662 . 1 1 1 A 55 55 VAL CB C 55 32.524 30.248 2.276 1
1 665 . 1 1 1 A 55 55 VAL N N 55 122.445 120.738 1.707 1
1 666 . 1 1 1 A 56 56 GLY H H 56 8.308 8.691 -0.383 1
1 667 . 1 1 1 A 56 56 GLY HA2 H 56 3.839 3.970 -0.131 1
1 668 . 1 1 1 A 56 56 GLY HA3 H 56 4.019 3.973 0.046 1
1 669 . 1 1 1 A 56 56 GLY C C 56 173.958 175.050 -1.092 1
1 670 . 1 1 1 A 56 56 GLY CA C 56 45.216 45.160 0.056 1
1 671 . 1 1 1 A 56 56 GLY N N 56 112.118 108.968 3.150 1
1 672 . 1 1 1 A 57 57 TYR H H 57 8.051 7.885 0.166 1
1 673 . 1 1 1 A 57 57 TYR HA H 57 4.402 4.833 -0.431 1
1 680 . 1 1 1 A 57 57 TYR C C 57 176.557 176.794 -0.237 1
1 681 . 1 1 1 A 57 57 TYR CA C 57 58.251 56.390 1.861 1
1 682 . 1 1 1 A 57 57 TYR CB C 57 38.935 36.206 2.729 1
1 683 . 1 1 1 A 57 57 TYR N N 57 120.259 120.176 0.083 1
1 684 . 1 1 1 A 58 58 GLY H H 58 8.335 8.707 -0.372 1
1 685 . 1 1 1 A 58 58 GLY HA2 H 58 3.801 3.873 -0.072 1
1 686 . 1 1 1 A 58 58 GLY HA3 H 58 3.801 3.893 -0.092 1
1 687 . 1 1 1 A 58 58 GLY C C 58 173.911 174.371 -0.460 1
1 688 . 1 1 1 A 58 58 GLY CA C 58 45.311 46.057 -0.746 1
1 689 . 1 1 1 A 58 58 GLY N N 58 110.220 109.128 1.092 1
1 690 . 1 1 1 A 59 59 ASP H H 59 8.161 8.511 -0.350 1
1 691 . 1 1 1 A 59 59 ASP HA H 59 4.581 4.235 0.346 1
1 694 . 1 1 1 A 59 59 ASP C C 59 175.189 174.801 0.388 1
1 695 . 1 1 1 A 59 59 ASP CA C 59 53.570 55.575 -2.005 1
1 696 . 1 1 1 A 59 59 ASP CB C 59 38.750 40.373 -1.623 1
1 697 . 1 1 1 A 59 59 ASP N N 59 118.765 119.286 -0.521 1
1 698 . 1 1 1 A 60 60 ARG H H 60 8.086 7.807 0.279 1
1 699 . 1 1 1 A 60 60 ARG HA H 60 4.152 5.102 -0.950 1
1 711 . 1 1 1 A 60 60 ARG C C 60 176.603 174.296 2.307 1
1 712 . 1 1 1 A 60 60 ARG CA C 60 56.825 54.046 2.779 1
1 713 . 1 1 1 A 60 60 ARG CB C 60 30.935 34.767 -3.832 1
1 716 . 1 1 1 A 60 60 ARG N N 60 120.762 118.540 2.222 1
1 718 . 1 1 1 A 61 61 TYR H H 61 8.117 8.554 -0.437 1
1 719 . 1 1 1 A 61 61 TYR HA H 61 4.488 5.428 -0.940 1
1 726 . 1 1 1 A 61 61 TYR CA C 61 56.688 55.725 0.963 1
1 727 . 1 1 1 A 61 61 TYR CB C 61 39.582 41.156 -1.574 1
1 728 . 1 1 1 A 61 61 TYR N N 61 121.714 118.455 3.259 1
1 729 . 1 1 1 A 62 62 PRO HA H 62 4.383 4.653 -0.270 1
1 736 . 1 1 1 A 62 62 PRO C C 62 177.441 176.606 0.835 1
1 737 . 1 1 1 A 62 62 PRO CA C 62 63.212 62.298 0.914 1
1 738 . 1 1 1 A 62 62 PRO CB C 62 31.939 33.575 -1.636 1
1 741 . 1 1 1 A 63 63 VAL H H 63 8.217 8.781 -0.564 1
1 742 . 1 1 1 A 63 63 VAL HA H 63 4.164 4.367 -0.203 1
1 750 . 1 1 1 A 63 63 VAL C C 63 176.576 176.825 -0.249 1
1 751 . 1 1 1 A 63 63 VAL CA C 63 62.382 63.528 -1.146 1
1 752 . 1 1 1 A 63 63 VAL CB C 63 32.862 33.240 -0.378 1
1 755 . 1 1 1 A 63 63 VAL N N 63 120.316 121.341 -1.025 1
1 756 . 1 1 1 A 64 64 THR H H 64 8.084 8.796 -0.712 1
1 757 . 1 1 1 A 64 64 THR HA H 64 4.313 4.521 -0.208 1
1 762 . 1 1 1 A 64 64 THR C C 64 174.558 175.064 -0.506 1
1 763 . 1 1 1 A 64 64 THR CA C 64 62.606 63.159 -0.553 1
1 764 . 1 1 1 A 64 64 THR CB C 64 70.496 71.135 -0.639 1
1 766 . 1 1 1 A 64 64 THR N N 64 116.779 114.371 2.408 1
1 767 . 1 1 1 A 65 65 GLU H H 65 8.404 8.052 0.352 1
1 768 . 1 1 1 A 65 65 GLU HA H 65 4.314 4.106 0.208 1
1 773 . 1 1 1 A 65 65 GLU C C 65 175.016 178.463 -3.447 1
1 774 . 1 1 1 A 65 65 GLU CA C 65 57.750 58.977 -1.227 1
1 775 . 1 1 1 A 65 65 GLU CB C 65 30.083 29.169 0.914 1
1 777 . 1 1 1 A 65 65 GLU N N 65 122.323 120.714 1.609 1
1 778 . 1 1 1 A 66 66 GLU H H 66 8.397 7.910 0.487 1
1 779 . 1 1 1 A 66 66 GLU HA H 66 4.224 4.212 0.012 1
1 784 . 1 1 1 A 66 66 GLU C C 66 176.855 177.098 -0.243 1
1 785 . 1 1 1 A 66 66 GLU CA C 66 58.023 56.695 1.328 1
1 786 . 1 1 1 A 66 66 GLU CB C 66 29.857 30.452 -0.595 1
1 788 . 1 1 1 A 66 66 GLU N N 66 122.201 115.068 7.133 1
1 789 . 1 1 1 A 67 67 GLY H H 67 8.376 7.915 0.461 1
1 790 . 1 1 1 A 67 67 GLY HA2 H 67 3.834 4.034 -0.200 1
1 791 . 1 1 1 A 67 67 GLY HA3 H 67 3.834 4.035 -0.201 1
1 792 . 1 1 1 A 67 67 GLY C C 67 173.071 175.057 -1.986 1
1 793 . 1 1 1 A 67 67 GLY CA C 67 45.871 45.270 0.601 1
1 794 . 1 1 1 A 67 67 GLY N N 67 109.499 108.198 1.301 1
1 795 . 1 1 1 A 68 68 ARG H H 68 8.011 8.432 -0.421 1
1 796 . 1 1 1 A 68 68 ARG HA H 68 4.482 3.967 0.515 1
1 808 . 1 1 1 A 68 68 ARG C C 68 177.494 177.883 -0.389 1
1 809 . 1 1 1 A 68 68 ARG CA C 68 57.574 58.572 -0.998 1
1 810 . 1 1 1 A 68 68 ARG CB C 68 30.325 30.260 0.065 1
1 813 . 1 1 1 A 68 68 ARG N N 68 122.501 123.667 -1.166 1
1 815 . 1 1 1 A 69 69 LYS H H 69 7.986 8.235 -0.249 1
1 816 . 1 1 1 A 69 69 LYS HA H 69 4.150 4.071 0.079 1
1 825 . 1 1 1 A 69 69 LYS C C 69 178.168 179.259 -1.091 1
1 826 . 1 1 1 A 69 69 LYS CA C 69 57.781 58.922 -1.141 1
1 827 . 1 1 1 A 69 69 LYS CB C 69 32.705 32.414 0.291 1
1 831 . 1 1 1 A 69 69 LYS N N 69 120.934 118.478 2.456 1
1 832 . 1 1 1 A 70 70 VAL H H 70 7.848 8.564 -0.716 1
1 833 . 1 1 1 A 70 70 VAL HA H 70 4.088 3.630 0.458 1
1 841 . 1 1 1 A 70 70 VAL C C 70 175.998 178.115 -2.117 1
1 842 . 1 1 1 A 70 70 VAL CA C 70 64.206 66.481 -2.275 1
1 843 . 1 1 1 A 70 70 VAL CB C 70 31.873 31.607 0.266 1
1 846 . 1 1 1 A 70 70 VAL N N 70 120.324 120.166 0.158 1
1 847 . 1 1 1 A 71 71 ALA H H 71 8.300 8.089 0.211 1
1 848 . 1 1 1 A 71 71 ALA HA H 71 4.221 4.221 0.000 1
1 852 . 1 1 1 A 71 71 ALA C C 71 178.225 179.238 -1.013 1
1 853 . 1 1 1 A 71 71 ALA CA C 71 53.106 55.367 -2.261 1
1 854 . 1 1 1 A 71 71 ALA CB C 71 19.128 18.717 0.411 1
1 855 . 1 1 1 A 71 71 ALA N N 71 127.025 121.854 5.171 1
1 856 . 1 1 1 A 72 72 GLU H H 72 8.181 8.488 -0.307 1
1 857 . 1 1 1 A 72 72 GLU HA H 72 4.219 4.012 0.207 1
1 862 . 1 1 1 A 72 72 GLU C C 72 176.779 179.270 -2.491 1
1 863 . 1 1 1 A 72 72 GLU CA C 72 56.776 59.879 -3.103 1
1 864 . 1 1 1 A 72 72 GLU CB C 72 28.610 29.265 -0.655 1
1 866 . 1 1 1 A 72 72 GLU N N 72 123.008 118.734 4.274 1
1 867 . 1 1 1 A 73 73 GLN H H 73 8.132 7.785 0.347 1
1 868 . 1 1 1 A 73 73 GLN HA H 73 4.141 4.142 -0.001 1
1 875 . 1 1 1 A 73 73 GLN C C 73 175.803 178.966 -3.163 1
1 876 . 1 1 1 A 73 73 GLN CA C 73 56.456 58.810 -2.354 1
1 877 . 1 1 1 A 73 73 GLN CB C 73 28.290 28.336 -0.046 1
1 879 . 1 1 1 A 73 73 GLN N N 73 120.564 119.852 0.712 1
1 881 . 1 1 1 A 74 74 VAL H H 74 8.088 7.665 0.423 1
1 882 . 1 1 1 A 74 74 VAL HA H 74 3.986 3.505 0.481 1
1 890 . 1 1 1 A 74 74 VAL C C 74 176.167 177.930 -1.763 1
1 891 . 1 1 1 A 74 74 VAL CA C 74 63.123 66.420 -3.297 1
1 892 . 1 1 1 A 74 74 VAL CB C 74 30.082 31.506 -1.424 1
1 895 . 1 1 1 A 74 74 VAL N N 74 121.828 120.218 1.610 1
1 896 . 1 1 1 A 75 75 MET H H 75 8.167 8.095 0.072 1
1 897 . 1 1 1 A 75 75 MET HA H 75 4.093 4.018 0.075 1
1 903 . 1 1 1 A 75 75 MET C C 75 176.455 178.451 -1.996 1
1 904 . 1 1 1 A 75 75 MET N N 75 123.990 116.750 7.240 1
1 905 . 1 1 1 A 76 76 LYS H H 76 8.287 7.886 0.401 1
1 906 . 1 1 1 A 76 76 LYS HA H 76 4.234 4.064 0.170 1
1 915 . 1 1 1 A 76 76 LYS C C 76 176.220 178.690 -2.470 1
1 916 . 1 1 1 A 76 76 LYS CA C 76 56.765 58.743 -1.978 1
1 917 . 1 1 1 A 76 76 LYS CB C 76 33.055 32.219 0.836 1
1 921 . 1 1 1 A 76 76 LYS N N 76 122.725 119.989 2.736 1
1 922 . 1 1 1 A 77 77 ALA H H 77 8.308 8.272 0.036 1
1 923 . 1 1 1 A 77 77 ALA HA H 77 4.213 4.027 0.186 1
1 927 . 1 1 1 A 77 77 ALA C C 77 178.097 179.879 -1.782 1
1 928 . 1 1 1 A 77 77 ALA CA C 77 52.740 54.918 -2.178 1
1 929 . 1 1 1 A 77 77 ALA CB C 77 19.427 18.442 0.985 1
1 930 . 1 1 1 A 77 77 ALA N N 77 125.316 121.983 3.333 1
1 931 . 1 1 1 A 78 78 GLY H H 78 8.284 7.873 0.411 1
1 932 . 1 1 1 A 78 78 GLY HA2 H 78 3.873 3.616 0.257 1
1 933 . 1 1 1 A 78 78 GLY HA3 H 78 3.873 3.809 0.064 1
1 934 . 1 1 1 A 78 78 GLY C C 78 174.065 175.723 -1.658 1
1 935 . 1 1 1 A 78 78 GLY CA C 78 45.497 47.313 -1.816 1
1 936 . 1 1 1 A 78 78 GLY N N 78 107.778 105.242 2.536 1
1 937 . 1 1 1 A 79 79 ILE H H 79 7.882 7.851 0.031 1
1 938 . 1 1 1 A 79 79 ILE HA H 79 4.119 3.978 0.141 1
1 948 . 1 1 1 A 79 79 ILE C C 79 176.160 178.469 -2.309 1
1 949 . 1 1 1 A 79 79 ILE CA C 79 61.436 64.118 -2.682 1
1 950 . 1 1 1 A 79 79 ILE CB C 79 38.904 37.336 1.568 1
1 954 . 1 1 1 A 79 79 ILE N N 79 119.794 122.617 -2.823 1
1 955 . 1 1 1 A 80 80 GLU H H 80 8.354 7.854 0.500 1
1 956 . 1 1 1 A 80 80 GLU HA H 80 4.282 3.992 0.290 1
1 961 . 1 1 1 A 80 80 GLU C C 80 176.174 179.684 -3.510 1
1 962 . 1 1 1 A 80 80 GLU CA C 80 57.178 59.410 -2.232 1
1 963 . 1 1 1 A 80 80 GLU CB C 80 30.019 29.445 0.574 1
1 965 . 1 1 1 A 80 80 GLU N N 80 124.311 119.257 5.054 1
1 966 . 1 1 1 A 81 81 VAL H H 81 8.205 7.577 0.628 1
1 967 . 1 1 1 A 81 81 VAL HA H 81 3.985 3.448 0.537 1
1 975 . 1 1 1 A 81 81 VAL C C 81 175.815 177.878 -2.063 1
1 976 . 1 1 1 A 81 81 VAL CA C 81 62.865 66.326 -3.461 1
1 977 . 1 1 1 A 81 81 VAL CB C 81 32.629 31.496 1.133 1
1 980 . 1 1 1 A 81 81 VAL N N 81 121.106 120.692 0.414 1
1 981 . 1 1 1 A 82 82 PHE H H 82 8.252 8.068 0.184 1
1 982 . 1 1 1 A 82 82 PHE HA H 82 4.551 4.244 0.307 1
1 990 . 1 1 1 A 82 82 PHE C C 82 175.631 177.418 -1.787 1
1 991 . 1 1 1 A 82 82 PHE CA C 82 58.206 61.487 -3.281 1
1 992 . 1 1 1 A 82 82 PHE CB C 82 39.431 37.766 1.665 1
1 993 . 1 1 1 A 82 82 PHE N N 82 123.622 118.066 5.556 1
1 994 . 1 1 1 A 83 83 ALA H H 83 8.184 8.198 -0.014 1
1 995 . 1 1 1 A 83 83 ALA HA H 83 4.230 4.300 -0.070 1
1 999 . 1 1 1 A 83 83 ALA C C 83 178.025 180.163 -2.138 1
1 1000 . 1 1 1 A 83 83 ALA CA C 83 52.731 54.567 -1.836 1
1 1001 . 1 1 1 A 83 83 ALA CB C 83 19.359 18.924 0.435 1
1 1002 . 1 1 1 A 83 83 ALA N N 83 125.081 121.953 3.128 1
1 1003 . 1 1 1 A 84 84 LEU H H 84 8.104 8.264 -0.160 1
1 1004 . 1 1 1 A 84 84 LEU HA H 84 4.167 4.067 0.100 1
1 1014 . 1 1 1 A 84 84 LEU C C 84 176.390 178.684 -2.294 1
1 1015 . 1 1 1 A 84 84 LEU CA C 84 55.786 57.793 -2.007 1
1 1016 . 1 1 1 A 84 84 LEU CB C 84 42.179 41.700 0.479 1
1 1020 . 1 1 1 A 84 84 LEU N N 84 119.064 120.820 -1.756 1
1 1021 . 1 1 1 A 85 85 VAL H H 85 8.155 7.537 0.618 1
1 1022 . 1 1 1 A 85 85 VAL HA H 85 4.073 4.067 0.006 1
1 1030 . 1 1 1 A 85 85 VAL C C 85 176.521 177.701 -1.180 1
1 1031 . 1 1 1 A 85 85 VAL CA C 85 62.762 64.607 -1.845 1
1 1032 . 1 1 1 A 85 85 VAL CB C 85 32.498 31.648 0.850 1
1 1035 . 1 1 1 A 85 85 VAL N N 85 121.743 114.753 6.990 1
1 1036 . 1 1 1 A 86 86 THR H H 86 8.052 7.875 0.177 1
1 1037 . 1 1 1 A 86 86 THR HA H 86 4.141 3.978 0.163 1
1 1042 . 1 1 1 A 86 86 THR C C 86 174.706 176.108 -1.402 1
1 1043 . 1 1 1 A 86 86 THR CA C 86 62.351 66.227 -3.876 1
1 1044 . 1 1 1 A 86 86 THR CB C 86 69.618 68.361 1.257 1
1 1046 . 1 1 1 A 86 86 THR N N 86 117.693 116.431 1.262 1
1 1047 . 1 1 1 A 87 87 ALA H H 87 8.216 8.179 0.037 1
1 1048 . 1 1 1 A 87 87 ALA HA H 87 4.170 3.947 0.223 1
1 1052 . 1 1 1 A 87 87 ALA C C 87 178.003 179.787 -1.784 1
1 1053 . 1 1 1 A 87 87 ALA CA C 87 52.967 55.117 -2.150 1
1 1054 . 1 1 1 A 87 87 ALA CB C 87 18.326 18.081 0.245 1
1 1055 . 1 1 1 A 87 87 ALA N N 87 126.174 123.295 2.879 1
1 1056 . 1 1 1 A 88 88 ALA H H 88 8.129 8.072 0.057 1
1 1057 . 1 1 1 A 88 88 ALA HA H 88 4.147 4.145 0.002 1
1 1061 . 1 1 1 A 88 88 ALA C C 88 178.246 180.139 -1.893 1
1 1062 . 1 1 1 A 88 88 ALA CA C 88 52.961 54.999 -2.038 1
1 1063 . 1 1 1 A 88 88 ALA CB C 88 19.290 18.610 0.680 1
1 1064 . 1 1 1 A 88 88 ALA N N 88 122.649 120.599 2.050 1
1 1065 . 1 1 1 A 89 89 LEU H H 89 7.992 7.904 0.088 1
1 1066 . 1 1 1 A 89 89 LEU HA H 89 4.153 4.029 0.124 1
1 1076 . 1 1 1 A 89 89 LEU C C 89 176.375 179.465 -3.090 1
1 1077 . 1 1 1 A 89 89 LEU CA C 89 57.099 58.002 -0.903 1
1 1078 . 1 1 1 A 89 89 LEU CB C 89 42.055 40.956 1.099 1
1 1082 . 1 1 1 A 89 89 LEU N N 89 120.616 119.628 0.988 1
1 1083 . 1 1 1 A 90 90 ALA H H 90 8.168 8.153 0.015 1
1 1084 . 1 1 1 A 90 90 ALA HA H 90 4.218 4.265 -0.047 1
1 1088 . 1 1 1 A 90 90 ALA C C 90 178.487 179.751 -1.264 1
1 1089 . 1 1 1 A 90 90 ALA CA C 90 53.043 55.141 -2.098 1
1 1090 . 1 1 1 A 90 90 ALA CB C 90 19.269 18.244 1.025 1
1 1091 . 1 1 1 A 90 90 ALA N N 90 124.243 122.320 1.923 1
1 1092 . 1 1 1 A 91 91 THR H H 91 7.988 7.722 0.266 1
1 1093 . 1 1 1 A 91 91 THR HA H 91 4.181 4.061 0.120 1
1 1098 . 1 1 1 A 91 91 THR C C 91 174.931 175.302 -0.371 1
1 1099 . 1 1 1 A 91 91 THR CA C 91 62.190 63.413 -1.223 1
1 1100 . 1 1 1 A 91 91 THR CB C 91 69.198 68.741 0.457 1
1 1102 . 1 1 1 A 91 91 THR N N 91 112.659 113.238 -0.579 1
1 1103 . 1 1 1 A 92 92 ASP H H 92 8.254 7.963 0.291 1
1 1104 . 1 1 1 A 92 92 ASP HA H 92 4.541 4.315 0.226 1
1 1107 . 1 1 1 A 92 92 ASP C C 92 175.823 178.234 -2.411 1
1 1108 . 1 1 1 A 92 92 ASP CA C 92 53.570 57.242 -3.672 1
1 1109 . 1 1 1 A 92 92 ASP CB C 92 38.750 41.215 -2.465 1
1 1110 . 1 1 1 A 92 92 ASP N N 92 120.688 121.482 -0.794 1
1 1111 . 1 1 1 A 93 93 PHE H H 93 8.048 8.286 -0.238 1
1 1112 . 1 1 1 A 93 93 PHE HA H 93 4.547 4.397 0.150 1
1 1120 . 1 1 1 A 93 93 PHE C C 93 176.384 177.656 -1.272 1
1 1121 . 1 1 1 A 93 93 PHE CA C 93 58.633 59.639 -1.006 1
1 1122 . 1 1 1 A 93 93 PHE CB C 93 39.451 37.683 1.768 1
1 1123 . 1 1 1 A 93 93 PHE N N 93 120.763 117.825 2.938 1
1 1124 . 1 1 1 A 94 94 VAL H H 94 7.904 7.705 0.199 1
1 1125 . 1 1 1 A 94 94 VAL HA H 94 4.364 3.047 1.317 1
1 1133 . 1 1 1 A 94 94 VAL C C 94 176.851 178.069 -1.218 1
1 1134 . 1 1 1 A 94 94 VAL CA C 94 63.297 65.844 -2.547 1
1 1135 . 1 1 1 A 94 94 VAL CB C 94 29.241 31.004 -1.763 1
1 1138 . 1 1 1 A 94 94 VAL N N 94 121.478 120.461 1.017 1
1 1139 . 1 1 1 A 95 95 ARG H H 95 8.146 7.692 0.454 1
1 1140 . 1 1 1 A 95 95 ARG HA H 95 4.134 4.015 0.119 1
1 1152 . 1 1 1 A 95 95 ARG C C 95 177.395 178.583 -1.188 1
1 1153 . 1 1 1 A 95 95 ARG CA C 95 55.978 58.704 -2.726 1
1 1154 . 1 1 1 A 95 95 ARG CB C 95 31.070 29.770 1.300 1
1 1157 . 1 1 1 A 95 95 ARG N N 95 122.920 119.986 2.934 1
1 1159 . 1 1 1 A 96 96 ARG H H 96 8.313 8.461 -0.148 1
1 1160 . 1 1 1 A 96 96 ARG HA H 96 4.180 4.053 0.127 1
1 1172 . 1 1 1 A 96 96 ARG C C 96 176.839 177.650 -0.811 1
1 1173 . 1 1 1 A 96 96 ARG CA C 96 56.831 59.020 -2.189 1
1 1174 . 1 1 1 A 96 96 ARG CB C 96 30.952 30.197 0.755 1
1 1177 . 1 1 1 A 96 96 ARG N N 96 121.064 117.426 3.638 1
1 1179 . 1 1 1 A 97 97 GLU H H 97 8.356 8.042 0.314 1
1 1180 . 1 1 1 A 97 97 GLU HA H 97 4.220 4.177 0.043 1
1 1185 . 1 1 1 A 97 97 GLU C C 97 176.319 178.917 -2.598 1
1 1186 . 1 1 1 A 97 97 GLU CA C 97 57.408 58.644 -1.236 1
1 1187 . 1 1 1 A 97 97 GLU CB C 97 28.610 29.438 -0.828 1
1 1189 . 1 1 1 A 97 97 GLU N N 97 121.754 118.849 2.905 1
1 1190 . 1 1 1 A 98 98 GLU H H 98 8.328 8.145 0.183 1
1 1191 . 1 1 1 A 98 98 GLU HA H 98 4.240 4.146 0.094 1
1 1196 . 1 1 1 A 98 98 GLU C C 98 176.132 179.438 -3.306 1
1 1197 . 1 1 1 A 98 98 GLU CA C 98 57.666 59.096 -1.430 1
1 1198 . 1 1 1 A 98 98 GLU CB C 98 30.045 29.380 0.665 1
1 1200 . 1 1 1 A 98 98 GLU N N 98 121.414 119.921 1.493 1
1 1201 . 1 1 1 A 99 99 GLU H H 99 8.418 7.940 0.478 1
1 1202 . 1 1 1 A 99 99 GLU HA H 99 4.299 4.101 0.198 1
1 1207 . 1 1 1 A 99 99 GLU C C 99 177.021 179.172 -2.151 1
1 1208 . 1 1 1 A 99 99 GLU CA C 99 57.397 59.276 -1.879 1
1 1209 . 1 1 1 A 99 99 GLU CB C 99 30.309 29.230 1.079 1
1 1211 . 1 1 1 A 99 99 GLU N N 99 121.312 120.027 1.285 1
1 1212 . 1 1 1 A 100 100 ARG H H 100 8.013 8.032 -0.019 1
1 1213 . 1 1 1 A 100 100 ARG HA H 100 4.180 4.177 0.003 1
1 1225 . 1 1 1 A 100 100 ARG C C 100 176.313 177.320 -1.007 1
1 1226 . 1 1 1 A 100 100 ARG CA C 100 57.238 58.480 -1.242 1
1 1227 . 1 1 1 A 100 100 ARG CB C 100 30.298 30.032 0.266 1
1 1230 . 1 1 1 A 100 100 ARG N N 100 121.871 120.450 1.421 1
1 1232 . 1 1 1 A 101 101 ARG H H 101 8.260 7.523 0.737 1
1 1233 . 1 1 1 A 101 101 ARG HA H 101 4.260 4.465 -0.205 1
1 1245 . 1 1 1 A 101 101 ARG C C 101 176.753 176.871 -0.118 1
1 1246 . 1 1 1 A 101 101 ARG CA C 101 56.492 55.644 0.848 1
1 1247 . 1 1 1 A 101 101 ARG CB C 101 30.838 31.984 -1.146 1
1 1250 . 1 1 1 A 101 101 ARG N N 101 122.019 117.238 4.781 1
1 1252 . 1 1 1 A 102 102 GLY H H 102 8.380 7.983 0.397 1
1 1253 . 1 1 1 A 102 102 GLY HA2 H 102 3.849 3.985 -0.136 1
1 1254 . 1 1 1 A 102 102 GLY HA3 H 102 3.849 3.986 -0.137 1
1 1255 . 1 1 1 A 102 102 GLY C C 102 173.145 174.358 -1.213 1
1 1256 . 1 1 1 A 102 102 GLY CA C 102 45.401 46.399 -0.998 1
1 1257 . 1 1 1 A 102 102 GLY N N 102 110.110 108.795 1.315 1
1 9 . 2 1 1 A 2 2 ALA H H 2 8.742 8.450 0.292 1
1 10 . 2 1 1 A 2 2 ALA HA H 2 4.302 4.552 -0.250 1
1 14 . 2 1 1 A 2 2 ALA C C 2 177.216 177.262 -0.046 1
1 15 . 2 1 1 A 2 2 ALA CA C 2 52.876 51.171 1.705 1
1 16 . 2 1 1 A 2 2 ALA CB C 2 19.182 19.623 -0.441 1
1 17 . 2 1 1 A 2 2 ALA N N 2 124.657 128.070 -3.413 1
1 18 . 2 1 1 A 3 3 ASP H H 3 8.432 8.557 -0.125 1
1 19 . 2 1 1 A 3 3 ASP HA H 3 4.530 4.285 0.245 1
1 22 . 2 1 1 A 3 3 ASP C C 3 176.023 176.649 -0.626 1
1 23 . 2 1 1 A 3 3 ASP CA C 3 53.721 56.518 -2.797 1
1 24 . 2 1 1 A 3 3 ASP CB C 3 38.752 39.427 -0.675 1
1 25 . 2 1 1 A 3 3 ASP N N 3 118.729 114.259 4.470 1
1 26 . 2 1 1 A 4 4 HIS H H 4 8.549 8.760 -0.211 1
1 27 . 2 1 1 A 4 4 HIS HA H 4 4.568 4.455 0.113 1
1 32 . 2 1 1 A 4 4 HIS C C 4 175.101 177.251 -2.150 1
1 33 . 2 1 1 A 4 4 HIS CA C 4 56.640 58.174 -1.534 1
1 34 . 2 1 1 A 4 4 HIS CB C 4 28.961 28.323 0.638 1
1 37 . 2 1 1 A 4 4 HIS N N 4 119.650 117.433 2.217 1
1 38 . 2 1 1 A 5 5 GLU H H 5 8.330 8.407 -0.077 1
1 39 . 2 1 1 A 5 5 GLU HA H 5 4.207 3.804 0.403 1
1 44 . 2 1 1 A 5 5 GLU C C 5 175.749 179.460 -3.711 1
1 45 . 2 1 1 A 5 5 GLU CA C 5 56.594 59.793 -3.199 1
1 46 . 2 1 1 A 5 5 GLU CB C 5 29.285 29.439 -0.154 1
1 48 . 2 1 1 A 5 5 GLU N N 5 120.937 120.256 0.681 1
1 49 . 2 1 1 A 6 6 ARG H H 6 8.325 8.036 0.289 1
1 50 . 2 1 1 A 6 6 ARG HA H 6 4.571 4.167 0.404 1
1 62 . 2 1 1 A 6 6 ARG C C 6 177.578 179.224 -1.646 1
1 63 . 2 1 1 A 6 6 ARG CA C 6 56.716 59.072 -2.356 1
1 64 . 2 1 1 A 6 6 ARG CB C 6 30.744 29.561 1.183 1
1 67 . 2 1 1 A 6 6 ARG N N 6 120.267 119.711 0.556 1
1 69 . 2 1 1 A 7 7 GLU H H 7 8.136 7.869 0.267 1
1 70 . 2 1 1 A 7 7 GLU HA H 7 4.165 4.122 0.043 1
1 75 . 2 1 1 A 7 7 GLU C C 7 177.156 178.697 -1.541 1
1 76 . 2 1 1 A 7 7 GLU CA C 7 57.125 59.258 -2.133 1
1 77 . 2 1 1 A 7 7 GLU CB C 7 30.149 29.361 0.788 1
1 79 . 2 1 1 A 7 7 GLU N N 7 121.008 119.352 1.656 1
1 80 . 2 1 1 A 8 8 ALA H H 8 8.325 7.992 0.333 1
1 81 . 2 1 1 A 8 8 ALA HA H 8 4.212 4.031 0.181 1
1 85 . 2 1 1 A 8 8 ALA C C 8 178.913 179.317 -0.404 1
1 86 . 2 1 1 A 8 8 ALA CA C 8 52.832 55.134 -2.302 1
1 87 . 2 1 1 A 8 8 ALA CB C 8 18.909 18.010 0.899 1
1 88 . 2 1 1 A 8 8 ALA N N 8 124.538 121.186 3.352 1
1 89 . 2 1 1 A 9 9 GLN H H 9 8.159 7.954 0.205 1
1 90 . 2 1 1 A 9 9 GLN HA H 9 4.140 3.982 0.158 1
1 97 . 2 1 1 A 9 9 GLN C C 9 175.771 178.091 -2.320 1
1 98 . 2 1 1 A 9 9 GLN CA C 9 57.655 59.189 -1.534 1
1 99 . 2 1 1 A 9 9 GLN CB C 9 28.606 28.238 0.368 1
1 101 . 2 1 1 A 9 9 GLN N N 9 124.103 117.897 6.206 1
1 103 . 2 1 1 A 10 10 LYS H H 10 8.148 7.683 0.465 1
1 104 . 2 1 1 A 10 10 LYS HA H 10 4.204 4.099 0.105 1
1 113 . 2 1 1 A 10 10 LYS C C 10 177.798 179.025 -1.227 1
1 114 . 2 1 1 A 10 10 LYS CA C 10 57.139 58.521 -1.382 1
1 115 . 2 1 1 A 10 10 LYS CB C 10 33.040 31.708 1.332 1
1 119 . 2 1 1 A 10 10 LYS N N 10 120.635 118.940 1.695 1
1 120 . 2 1 1 A 11 11 ALA H H 11 8.148 8.064 0.084 1
1 121 . 2 1 1 A 11 11 ALA HA H 11 4.140 4.000 0.140 1
1 125 . 2 1 1 A 11 11 ALA C C 11 178.173 179.738 -1.565 1
1 126 . 2 1 1 A 11 11 ALA CA C 11 53.351 55.110 -1.759 1
1 127 . 2 1 1 A 11 11 ALA CB C 11 19.128 17.973 1.155 1
1 128 . 2 1 1 A 11 11 ALA N N 11 123.171 122.376 0.795 1
1 129 . 2 1 1 A 12 12 GLU H H 12 8.248 7.870 0.378 1
1 130 . 2 1 1 A 12 12 GLU HA H 12 4.222 3.968 0.254 1
1 135 . 2 1 1 A 12 12 GLU C C 12 176.385 179.729 -3.344 1
1 136 . 2 1 1 A 12 12 GLU CA C 12 57.442 59.518 -2.076 1
1 137 . 2 1 1 A 12 12 GLU CB C 12 30.001 29.020 0.981 1
1 139 . 2 1 1 A 12 12 GLU N N 12 119.451 118.085 1.366 1
1 140 . 2 1 1 A 13 13 GLU H H 13 8.372 8.136 0.236 1
1 141 . 2 1 1 A 13 13 GLU HA H 13 4.265 4.072 0.193 1
1 146 . 2 1 1 A 13 13 GLU C C 13 178.060 178.457 -0.397 1
1 147 . 2 1 1 A 13 13 GLU CA C 13 56.828 59.300 -2.472 1
1 148 . 2 1 1 A 13 13 GLU CB C 13 30.082 29.330 0.752 1
1 150 . 2 1 1 A 13 13 GLU N N 13 121.080 119.673 1.407 1
1 151 . 2 1 1 A 14 14 GLU H H 14 8.152 7.632 0.520 1
1 152 . 2 1 1 A 14 14 GLU HA H 14 4.142 4.131 0.011 1
1 157 . 2 1 1 A 14 14 GLU C C 14 176.274 178.669 -2.395 1
1 158 . 2 1 1 A 14 14 GLU CA C 14 56.892 58.782 -1.890 1
1 159 . 2 1 1 A 14 14 GLU CB C 14 28.169 28.867 -0.698 1
1 161 . 2 1 1 A 14 14 GLU N N 14 120.236 119.516 0.720 1
1 162 . 2 1 1 A 15 15 LEU H H 15 8.301 7.849 0.452 1
1 163 . 2 1 1 A 15 15 LEU HA H 15 4.224 3.987 0.237 1
1 173 . 2 1 1 A 15 15 LEU C C 15 177.983 178.716 -0.733 1
1 174 . 2 1 1 A 15 15 LEU CA C 15 56.344 57.737 -1.393 1
1 175 . 2 1 1 A 15 15 LEU CB C 15 42.250 41.525 0.725 1
1 179 . 2 1 1 A 15 15 LEU N N 15 123.072 121.508 1.564 1
1 180 . 2 1 1 A 16 16 GLN H H 16 8.132 7.841 0.291 1
1 181 . 2 1 1 A 16 16 GLN HA H 16 4.145 3.984 0.161 1
1 188 . 2 1 1 A 16 16 GLN C C 16 177.674 178.716 -1.042 1
1 189 . 2 1 1 A 16 16 GLN CA C 16 57.971 59.241 -1.270 1
1 190 . 2 1 1 A 16 16 GLN CB C 16 29.889 28.162 1.727 1
1 192 . 2 1 1 A 16 16 GLN N N 16 119.160 117.781 1.379 1
1 194 . 2 1 1 A 17 17 LYS H H 17 8.214 7.758 0.456 1
1 195 . 2 1 1 A 17 17 LYS HA H 17 4.140 4.214 -0.074 1
1 204 . 2 1 1 A 17 17 LYS C C 17 177.646 179.350 -1.704 1
1 205 . 2 1 1 A 17 17 LYS CA C 17 57.115 58.866 -1.751 1
1 206 . 2 1 1 A 17 17 LYS CB C 17 32.833 31.872 0.961 1
1 210 . 2 1 1 A 17 17 LYS N N 17 120.310 121.288 -0.978 1
1 211 . 2 1 1 A 18 18 VAL H H 18 7.871 7.534 0.337 1
1 212 . 2 1 1 A 18 18 VAL HA H 18 4.108 3.577 0.531 1
1 220 . 2 1 1 A 18 18 VAL C C 18 177.476 178.288 -0.812 1
1 221 . 2 1 1 A 18 18 VAL CA C 18 63.634 66.224 -2.590 1
1 222 . 2 1 1 A 18 18 VAL CB C 18 31.886 31.532 0.354 1
1 225 . 2 1 1 A 18 18 VAL N N 18 120.571 120.771 -0.200 1
1 226 . 2 1 1 A 19 19 LEU H H 19 8.180 8.018 0.162 1
1 227 . 2 1 1 A 19 19 LEU HA H 19 4.042 3.929 0.113 1
1 237 . 2 1 1 A 19 19 LEU C C 19 179.462 179.697 -0.235 1
1 238 . 2 1 1 A 19 19 LEU CA C 19 57.653 57.978 -0.325 1
1 239 . 2 1 1 A 19 19 LEU CB C 19 41.800 40.911 0.889 1
1 243 . 2 1 1 A 19 19 LEU N N 19 122.936 120.167 2.769 1
1 244 . 2 1 1 A 20 20 GLU H H 20 8.122 7.969 0.153 1
1 245 . 2 1 1 A 20 20 GLU HA H 20 4.156 4.029 0.127 1
1 250 . 2 1 1 A 20 20 GLU C C 20 178.001 179.747 -1.746 1
1 251 . 2 1 1 A 20 20 GLU CA C 20 58.045 59.725 -1.680 1
1 252 . 2 1 1 A 20 20 GLU CB C 20 30.092 29.261 0.831 1
1 254 . 2 1 1 A 20 20 GLU N N 20 118.745 118.914 -0.169 1
1 255 . 2 1 1 A 21 21 GLU H H 21 8.190 7.805 0.385 1
1 256 . 2 1 1 A 21 21 GLU HA H 21 4.144 4.124 0.020 1
1 261 . 2 1 1 A 21 21 GLU C C 21 177.290 178.879 -1.589 1
1 262 . 2 1 1 A 21 21 GLU CA C 21 58.109 59.199 -1.090 1
1 263 . 2 1 1 A 21 21 GLU CB C 21 29.868 29.210 0.658 1
1 265 . 2 1 1 A 21 21 GLU N N 21 119.542 120.203 -0.661 1
1 266 . 2 1 1 A 22 22 ALA H H 22 8.092 8.823 -0.731 1
1 267 . 2 1 1 A 22 22 ALA HA H 22 4.173 4.181 -0.008 1
1 271 . 2 1 1 A 22 22 ALA C C 22 179.020 179.724 -0.704 1
1 272 . 2 1 1 A 22 22 ALA CA C 22 53.944 55.408 -1.464 1
1 273 . 2 1 1 A 22 22 ALA CB C 22 18.578 18.171 0.407 1
1 274 . 2 1 1 A 22 22 ALA N N 22 123.378 122.117 1.261 1
1 275 . 2 1 1 A 23 23 SER H H 23 8.079 8.024 0.055 1
1 276 . 2 1 1 A 23 23 SER HA H 23 4.300 4.364 -0.064 1
1 279 . 2 1 1 A 23 23 SER C C 23 173.125 176.208 -3.083 1
1 280 . 2 1 1 A 23 23 SER CA C 23 59.414 61.489 -2.075 1
1 281 . 2 1 1 A 23 23 SER CB C 23 63.520 63.082 0.438 1
1 282 . 2 1 1 A 23 23 SER N N 23 114.637 113.172 1.465 1
1 283 . 2 1 1 A 24 24 LYS H H 24 8.032 7.516 0.516 1
1 284 . 2 1 1 A 24 24 LYS HA H 24 4.325 4.166 0.159 1
1 293 . 2 1 1 A 24 24 LYS C C 24 175.423 179.642 -4.219 1
1 294 . 2 1 1 A 24 24 LYS CA C 24 57.273 59.445 -2.172 1
1 295 . 2 1 1 A 24 24 LYS CB C 24 31.200 32.465 -1.265 1
1 299 . 2 1 1 A 24 24 LYS N N 24 122.635 121.087 1.548 1
1 300 . 2 1 1 A 25 25 LYS H H 25 8.042 7.970 0.072 1
1 301 . 2 1 1 A 25 25 LYS HA H 25 4.169 4.178 -0.009 1
1 310 . 2 1 1 A 25 25 LYS C C 25 177.025 179.274 -2.249 1
1 311 . 2 1 1 A 25 25 LYS CA C 25 56.876 59.096 -2.220 1
1 312 . 2 1 1 A 25 25 LYS CB C 25 31.200 31.649 -0.449 1
1 316 . 2 1 1 A 25 25 LYS N N 25 121.079 119.083 1.996 1
1 317 . 2 1 1 A 26 26 ALA H H 26 8.103 8.454 -0.351 1
1 318 . 2 1 1 A 26 26 ALA HA H 26 4.196 3.996 0.200 1
1 322 . 2 1 1 A 26 26 ALA C C 26 178.418 180.113 -1.695 1
1 323 . 2 1 1 A 26 26 ALA CA C 26 53.049 55.122 -2.073 1
1 324 . 2 1 1 A 26 26 ALA CB C 26 19.055 18.829 0.226 1
1 325 . 2 1 1 A 26 26 ALA N N 26 124.589 122.344 2.245 1
1 326 . 2 1 1 A 27 27 VAL H H 27 8.030 7.788 0.242 1
1 327 . 2 1 1 A 27 27 VAL HA H 27 3.945 3.363 0.582 1
1 335 . 2 1 1 A 27 27 VAL C C 27 179.177 178.086 1.091 1
1 336 . 2 1 1 A 27 27 VAL CA C 27 63.001 66.812 -3.811 1
1 337 . 2 1 1 A 27 27 VAL CB C 27 32.449 31.357 1.092 1
1 340 . 2 1 1 A 27 27 VAL N N 27 119.340 118.004 1.336 1
1 341 . 2 1 1 A 28 28 GLU H H 28 8.187 7.903 0.284 1
1 342 . 2 1 1 A 28 28 GLU HA H 28 4.166 4.067 0.099 1
1 347 . 2 1 1 A 28 28 GLU C C 28 176.411 178.577 -2.166 1
1 348 . 2 1 1 A 28 28 GLU CA C 28 57.290 59.303 -2.013 1
1 349 . 2 1 1 A 28 28 GLU CB C 28 30.025 29.323 0.702 1
1 351 . 2 1 1 A 28 28 GLU N N 28 120.351 120.924 -0.573 1
1 352 . 2 1 1 A 29 29 ALA H H 29 8.173 8.082 0.091 1
1 353 . 2 1 1 A 29 29 ALA HA H 29 4.230 3.943 0.287 1
1 357 . 2 1 1 A 29 29 ALA C C 29 176.924 180.193 -3.269 1
1 358 . 2 1 1 A 29 29 ALA CA C 29 53.338 55.449 -2.111 1
1 359 . 2 1 1 A 29 29 ALA CB C 29 18.964 18.689 0.275 1
1 360 . 2 1 1 A 29 29 ALA N N 29 124.463 122.061 2.402 1
1 361 . 2 1 1 A 30 30 GLU H H 30 8.239 8.135 0.104 1
1 362 . 2 1 1 A 30 30 GLU HA H 30 4.251 3.985 0.266 1
1 367 . 2 1 1 A 30 30 GLU C C 30 175.016 177.816 -2.800 1
1 368 . 2 1 1 A 30 30 GLU CA C 30 58.033 59.254 -1.221 1
1 369 . 2 1 1 A 30 30 GLU CB C 30 29.996 29.142 0.854 1
1 371 . 2 1 1 A 30 30 GLU N N 30 122.971 118.689 4.282 1
1 372 . 2 1 1 A 31 31 ARG H H 31 8.261 7.813 0.448 1
1 373 . 2 1 1 A 31 31 ARG HA H 31 4.255 4.139 0.116 1
1 385 . 2 1 1 A 31 31 ARG C C 31 176.727 176.617 0.110 1
1 386 . 2 1 1 A 31 31 ARG CA C 31 56.565 56.216 0.349 1
1 387 . 2 1 1 A 31 31 ARG CB C 31 30.783 29.310 1.473 1
1 390 . 2 1 1 A 31 31 ARG N N 31 121.894 120.127 1.767 1
1 392 . 2 1 1 A 32 32 GLY H H 32 8.302 8.251 0.051 1
1 393 . 2 1 1 A 32 32 GLY HA2 H 32 3.852 4.034 -0.182 1
1 394 . 2 1 1 A 32 32 GLY HA3 H 32 3.852 4.035 -0.183 1
1 395 . 2 1 1 A 32 32 GLY C C 32 173.994 174.642 -0.648 1
1 396 . 2 1 1 A 32 32 GLY CA C 32 45.077 45.373 -0.296 1
1 397 . 2 1 1 A 32 32 GLY N N 32 109.773 112.708 -2.935 1
1 398 . 2 1 1 A 33 33 ALA H H 33 8.011 7.289 0.722 1
1 399 . 2 1 1 A 33 33 ALA HA H 33 4.212 4.640 -0.428 1
1 403 . 2 1 1 A 33 33 ALA CA C 33 50.522 50.416 0.106 1
1 404 . 2 1 1 A 33 33 ALA CB C 33 18.962 19.857 -0.895 1
1 405 . 2 1 1 A 33 33 ALA N N 33 123.601 123.865 -0.264 1
1 406 . 2 1 1 A 34 34 PRO HA H 34 4.352 4.312 0.040 1
1 413 . 2 1 1 A 34 34 PRO C C 34 177.746 177.552 0.194 1
1 414 . 2 1 1 A 34 34 PRO CA C 34 63.520 63.635 -0.115 1
1 415 . 2 1 1 A 34 34 PRO CB C 34 31.938 31.510 0.428 1
1 418 . 2 1 1 A 35 35 GLY H H 35 8.433 8.821 -0.388 1
1 419 . 2 1 1 A 35 35 GLY HA2 H 35 3.848 3.906 -0.058 1
1 420 . 2 1 1 A 35 35 GLY HA3 H 35 3.848 3.906 -0.058 1
1 421 . 2 1 1 A 35 35 GLY C C 35 173.266 174.702 -1.436 1
1 422 . 2 1 1 A 35 35 GLY CA C 35 45.405 45.298 0.107 1
1 423 . 2 1 1 A 35 35 GLY N N 35 109.298 112.483 -3.185 1
1 424 . 2 1 1 A 36 36 ALA H H 36 8.095 7.886 0.209 1
1 425 . 2 1 1 A 36 36 ALA HA H 36 4.196 4.262 -0.066 1
1 429 . 2 1 1 A 36 36 ALA C C 36 177.944 176.935 1.009 1
1 430 . 2 1 1 A 36 36 ALA CA C 36 52.551 52.462 0.089 1
1 431 . 2 1 1 A 36 36 ALA CB C 36 19.485 19.477 0.008 1
1 432 . 2 1 1 A 36 36 ALA N N 36 124.605 122.407 2.198 1
1 433 . 2 1 1 A 37 37 ALA H H 37 8.199 8.509 -0.310 1
1 434 . 2 1 1 A 37 37 ALA HA H 37 4.491 4.278 0.213 1
1 438 . 2 1 1 A 37 37 ALA C C 37 177.456 176.925 0.531 1
1 439 . 2 1 1 A 37 37 ALA CA C 37 52.453 53.636 -1.183 1
1 440 . 2 1 1 A 37 37 ALA CB C 37 19.060 20.072 -1.012 1
1 441 . 2 1 1 A 37 37 ALA N N 37 123.695 123.701 -0.006 1
1 442 . 2 1 1 A 38 38 LEU H H 38 8.099 7.635 0.464 1
1 443 . 2 1 1 A 38 38 LEU HA H 38 4.243 4.294 -0.051 1
1 453 . 2 1 1 A 38 38 LEU C C 38 177.358 176.632 0.726 1
1 454 . 2 1 1 A 38 38 LEU CA C 38 55.218 54.240 0.978 1
1 455 . 2 1 1 A 38 38 LEU CB C 38 42.228 41.334 0.894 1
1 459 . 2 1 1 A 38 38 LEU N N 38 121.531 117.796 3.735 1
1 460 . 2 1 1 A 39 39 ILE H H 39 7.966 8.189 -0.223 1
1 461 . 2 1 1 A 39 39 ILE HA H 39 4.136 4.347 -0.211 1
1 471 . 2 1 1 A 39 39 ILE C C 39 175.586 175.033 0.553 1
1 472 . 2 1 1 A 39 39 ILE CA C 39 60.873 59.867 1.006 1
1 473 . 2 1 1 A 39 39 ILE CB C 39 38.727 37.536 1.191 1
1 477 . 2 1 1 A 39 39 ILE N N 39 121.669 122.099 -0.430 1
1 478 . 2 1 1 A 40 40 SER H H 40 8.101 7.573 0.528 1
1 479 . 2 1 1 A 40 40 SER HA H 40 4.347 4.605 -0.258 1
1 482 . 2 1 1 A 40 40 SER C C 40 173.336 173.277 0.059 1
1 483 . 2 1 1 A 40 40 SER CA C 40 57.331 57.275 0.056 1
1 484 . 2 1 1 A 40 40 SER CB C 40 63.983 66.716 -2.733 1
1 485 . 2 1 1 A 40 40 SER N N 40 119.591 115.904 3.687 1
1 486 . 2 1 1 A 41 41 TYR H H 41 8.100 9.235 -1.135 1
1 487 . 2 1 1 A 41 41 TYR HA H 41 4.436 4.276 0.160 1
1 494 . 2 1 1 A 41 41 TYR CA C 41 56.067 61.424 -5.357 1
1 495 . 2 1 1 A 41 41 TYR CB C 41 38.244 37.677 0.567 1
1 496 . 2 1 1 A 41 41 TYR N N 41 122.744 123.388 -0.644 1
1 497 . 2 1 1 A 42 42 PRO HA H 42 4.281 4.368 -0.087 1
1 504 . 2 1 1 A 42 42 PRO C C 42 176.765 177.363 -0.598 1
1 505 . 2 1 1 A 42 42 PRO CA C 42 63.650 65.173 -1.523 1
1 506 . 2 1 1 A 42 42 PRO CB C 42 30.513 31.212 -0.699 1
1 509 . 2 1 1 A 43 43 ASP H H 43 8.305 8.608 -0.303 1
1 510 . 2 1 1 A 43 43 ASP HA H 43 4.548 4.671 -0.123 1
1 513 . 2 1 1 A 43 43 ASP C C 43 175.135 178.185 -3.050 1
1 514 . 2 1 1 A 43 43 ASP CA C 43 53.570 53.936 -0.366 1
1 515 . 2 1 1 A 43 43 ASP CB C 43 38.450 40.693 -2.243 1
1 516 . 2 1 1 A 43 43 ASP N N 43 118.052 115.898 2.154 1
1 517 . 2 1 1 A 44 44 ALA H H 44 8.013 7.955 0.058 1
1 518 . 2 1 1 A 44 44 ALA HA H 44 4.106 4.242 -0.136 1
1 522 . 2 1 1 A 44 44 ALA C C 44 177.969 179.885 -1.916 1
1 523 . 2 1 1 A 44 44 ALA CA C 44 52.867 55.385 -2.518 1
1 524 . 2 1 1 A 44 44 ALA CB C 44 19.023 18.510 0.513 1
1 525 . 2 1 1 A 44 44 ALA N N 44 123.344 124.677 -1.333 1
1 526 . 2 1 1 A 45 45 ILE H H 45 7.860 8.235 -0.375 1
1 527 . 2 1 1 A 45 45 ILE HA H 45 3.855 4.292 -0.437 1
1 537 . 2 1 1 A 45 45 ILE C C 45 176.287 177.717 -1.430 1
1 538 . 2 1 1 A 45 45 ILE CA C 45 61.465 63.462 -1.997 1
1 539 . 2 1 1 A 45 45 ILE CB C 45 38.294 38.077 0.217 1
1 543 . 2 1 1 A 45 45 ILE N N 45 118.636 118.380 0.256 1
1 544 . 2 1 1 A 46 46 TRP H H 46 7.646 7.574 0.072 1
1 545 . 2 1 1 A 46 46 TRP HA H 46 4.504 4.520 -0.016 1
1 554 . 2 1 1 A 46 46 TRP C C 46 176.136 179.162 -3.026 1
1 555 . 2 1 1 A 46 46 TRP CA C 46 57.139 59.049 -1.910 1
1 556 . 2 1 1 A 46 46 TRP CB C 46 28.880 30.180 -1.300 1
1 558 . 2 1 1 A 46 46 TRP N N 46 122.947 121.647 1.300 1
1 560 . 2 1 1 A 47 47 TRP H H 47 7.502 8.085 -0.583 1
1 561 . 2 1 1 A 47 47 TRP HA H 47 4.482 4.325 0.157 1
1 570 . 2 1 1 A 47 47 TRP C C 47 176.149 178.652 -2.503 1
1 571 . 2 1 1 A 47 47 TRP CA C 47 57.197 61.260 -4.063 1
1 572 . 2 1 1 A 47 47 TRP CB C 47 29.703 29.719 -0.016 1
1 573 . 2 1 1 A 47 47 TRP N N 47 120.943 121.909 -0.966 1
1 575 . 2 1 1 A 48 48 SER H H 48 7.861 8.408 -0.547 1
1 576 . 2 1 1 A 48 48 SER HA H 48 4.258 3.719 0.539 1
1 579 . 2 1 1 A 48 48 SER C C 48 174.600 176.100 -1.500 1
1 580 . 2 1 1 A 48 48 SER CA C 48 57.844 61.451 -3.607 1
1 581 . 2 1 1 A 48 48 SER CB C 48 64.102 63.086 1.016 1
1 582 . 2 1 1 A 48 48 SER N N 48 116.339 115.519 0.820 1
1 583 . 2 1 1 A 49 49 VAL H H 49 7.921 7.614 0.307 1
1 584 . 2 1 1 A 49 49 VAL HA H 49 3.990 3.481 0.509 1
1 592 . 2 1 1 A 49 49 VAL C C 49 176.402 176.498 -0.096 1
1 593 . 2 1 1 A 49 49 VAL CA C 49 62.909 66.062 -3.153 1
1 594 . 2 1 1 A 49 49 VAL CB C 49 32.467 31.688 0.779 1
1 597 . 2 1 1 A 49 49 VAL N N 49 121.079 120.588 0.491 1
1 598 . 2 1 1 A 50 50 GLU H H 50 8.229 7.605 0.624 1
1 599 . 2 1 1 A 50 50 GLU HA H 50 4.307 4.435 -0.128 1
1 604 . 2 1 1 A 50 50 GLU C C 50 176.506 176.115 0.391 1
1 605 . 2 1 1 A 50 50 GLU CA C 50 57.040 55.579 1.461 1
1 606 . 2 1 1 A 50 50 GLU CB C 50 30.123 27.918 2.205 1
1 608 . 2 1 1 A 50 50 GLU N N 50 122.433 117.790 4.643 1
1 609 . 2 1 1 A 51 51 THR H H 51 7.993 8.293 -0.300 1
1 610 . 2 1 1 A 51 51 THR HA H 51 4.248 4.502 -0.254 1
1 615 . 2 1 1 A 51 51 THR C C 51 174.430 175.239 -0.809 1
1 616 . 2 1 1 A 51 51 THR CA C 51 62.227 63.093 -0.866 1
1 617 . 2 1 1 A 51 51 THR CB C 51 69.712 70.945 -1.233 1
1 619 . 2 1 1 A 51 51 THR N N 51 114.413 118.388 -3.975 1
1 620 . 2 1 1 A 52 52 ALA H H 52 8.160 7.820 0.340 1
1 621 . 2 1 1 A 52 52 ALA HA H 52 4.212 4.097 0.115 1
1 625 . 2 1 1 A 52 52 ALA C C 52 177.976 178.539 -0.563 1
1 626 . 2 1 1 A 52 52 ALA CA C 52 53.069 55.239 -2.170 1
1 627 . 2 1 1 A 52 52 ALA CB C 52 19.178 18.305 0.873 1
1 628 . 2 1 1 A 52 52 ALA N N 52 125.641 123.476 2.165 1
1 629 . 2 1 1 A 53 53 THR H H 53 8.022 7.563 0.459 1
1 630 . 2 1 1 A 53 53 THR HA H 53 4.231 4.585 -0.354 1
1 635 . 2 1 1 A 53 53 THR C C 53 174.750 174.190 0.560 1
1 636 . 2 1 1 A 53 53 THR CA C 53 62.231 61.157 1.074 1
1 637 . 2 1 1 A 53 53 THR CB C 53 69.726 68.721 1.005 1
1 639 . 2 1 1 A 53 53 THR N N 53 112.100 107.452 4.648 1
1 640 . 2 1 1 A 54 54 THR H H 54 7.999 8.124 -0.125 1
1 641 . 2 1 1 A 54 54 THR HA H 54 4.303 4.020 0.283 1
1 646 . 2 1 1 A 54 54 THR C C 54 174.592 173.354 1.238 1
1 647 . 2 1 1 A 54 54 THR CA C 54 62.002 62.854 -0.852 1
1 648 . 2 1 1 A 54 54 THR CB C 54 69.793 66.442 3.351 1
1 650 . 2 1 1 A 54 54 THR N N 54 116.238 113.954 2.284 1
1 651 . 2 1 1 A 55 55 VAL H H 55 8.098 7.364 0.734 1
1 652 . 2 1 1 A 55 55 VAL HA H 55 4.017 4.521 -0.504 1
1 660 . 2 1 1 A 55 55 VAL C C 55 176.453 174.336 2.117 1
1 661 . 2 1 1 A 55 55 VAL CA C 55 62.650 60.430 2.220 1
1 662 . 2 1 1 A 55 55 VAL CB C 55 32.524 35.889 -3.365 1
1 665 . 2 1 1 A 55 55 VAL N N 55 122.445 120.262 2.183 1
1 666 . 2 1 1 A 56 56 GLY H H 56 8.308 8.323 -0.015 1
1 667 . 2 1 1 A 56 56 GLY HA2 H 56 3.839 4.231 -0.392 1
1 668 . 2 1 1 A 56 56 GLY HA3 H 56 4.019 4.291 -0.272 1
1 669 . 2 1 1 A 56 56 GLY C C 56 173.958 174.051 -0.093 1
1 670 . 2 1 1 A 56 56 GLY CA C 56 45.216 45.294 -0.078 1
1 671 . 2 1 1 A 56 56 GLY N N 56 112.118 110.607 1.511 1
1 672 . 2 1 1 A 57 57 TYR H H 57 8.051 9.137 -1.086 1
1 673 . 2 1 1 A 57 57 TYR HA H 57 4.402 4.475 -0.073 1
1 680 . 2 1 1 A 57 57 TYR C C 57 176.557 175.729 0.828 1
1 681 . 2 1 1 A 57 57 TYR CA C 57 58.251 58.554 -0.303 1
1 682 . 2 1 1 A 57 57 TYR CB C 57 38.935 38.901 0.034 1
1 683 . 2 1 1 A 57 57 TYR N N 57 120.259 124.328 -4.069 1
1 684 . 2 1 1 A 58 58 GLY H H 58 8.335 7.977 0.358 1
1 685 . 2 1 1 A 58 58 GLY HA2 H 58 3.801 4.084 -0.283 1
1 686 . 2 1 1 A 58 58 GLY HA3 H 58 3.801 4.091 -0.290 1
1 687 . 2 1 1 A 58 58 GLY C C 58 173.911 174.757 -0.846 1
1 688 . 2 1 1 A 58 58 GLY CA C 58 45.311 45.316 -0.005 1
1 689 . 2 1 1 A 58 58 GLY N N 58 110.220 107.840 2.380 1
1 690 . 2 1 1 A 59 59 ASP H H 59 8.161 8.073 0.088 1
1 691 . 2 1 1 A 59 59 ASP HA H 59 4.581 4.513 0.068 1
1 694 . 2 1 1 A 59 59 ASP C C 59 175.189 175.555 -0.366 1
1 695 . 2 1 1 A 59 59 ASP CA C 59 53.570 56.227 -2.657 1
1 696 . 2 1 1 A 59 59 ASP CB C 59 38.750 42.132 -3.382 1
1 697 . 2 1 1 A 59 59 ASP N N 59 118.765 121.530 -2.765 1
1 698 . 2 1 1 A 60 60 ARG H H 60 8.086 7.875 0.211 1
1 699 . 2 1 1 A 60 60 ARG HA H 60 4.152 4.913 -0.761 1
1 711 . 2 1 1 A 60 60 ARG C C 60 176.603 174.219 2.384 1
1 712 . 2 1 1 A 60 60 ARG CA C 60 56.825 55.084 1.741 1
1 713 . 2 1 1 A 60 60 ARG CB C 60 30.935 34.828 -3.893 1
1 716 . 2 1 1 A 60 60 ARG N N 60 120.762 116.467 4.295 1
1 718 . 2 1 1 A 61 61 TYR H H 61 8.117 8.782 -0.665 1
1 719 . 2 1 1 A 61 61 TYR HA H 61 4.488 4.911 -0.423 1
1 726 . 2 1 1 A 61 61 TYR CA C 61 56.688 56.644 0.044 1
1 727 . 2 1 1 A 61 61 TYR CB C 61 39.582 42.899 -3.317 1
1 728 . 2 1 1 A 61 61 TYR N N 61 121.714 123.678 -1.964 1
1 729 . 2 1 1 A 62 62 PRO HA H 62 4.383 4.559 -0.176 1
1 736 . 2 1 1 A 62 62 PRO C C 62 177.441 175.290 2.151 1
1 737 . 2 1 1 A 62 62 PRO CA C 62 63.212 62.001 1.211 1
1 738 . 2 1 1 A 62 62 PRO CB C 62 31.939 32.969 -1.030 1
1 741 . 2 1 1 A 63 63 VAL H H 63 8.217 9.024 -0.807 1
1 742 . 2 1 1 A 63 63 VAL HA H 63 4.164 4.155 0.009 1
1 750 . 2 1 1 A 63 63 VAL C C 63 176.576 175.260 1.316 1
1 751 . 2 1 1 A 63 63 VAL CA C 63 62.382 60.856 1.526 1
1 752 . 2 1 1 A 63 63 VAL CB C 63 32.862 32.706 0.156 1
1 755 . 2 1 1 A 63 63 VAL N N 63 120.316 119.621 0.695 1
1 756 . 2 1 1 A 64 64 THR H H 64 8.084 8.065 0.019 1
1 757 . 2 1 1 A 64 64 THR HA H 64 4.313 4.178 0.135 1
1 762 . 2 1 1 A 64 64 THR C C 64 174.558 175.689 -1.131 1
1 763 . 2 1 1 A 64 64 THR CA C 64 62.606 64.724 -2.118 1
1 764 . 2 1 1 A 64 64 THR CB C 64 70.496 69.504 0.992 1
1 766 . 2 1 1 A 64 64 THR N N 64 116.779 118.580 -1.801 1
1 767 . 2 1 1 A 65 65 GLU H H 65 8.404 8.028 0.376 1
1 768 . 2 1 1 A 65 65 GLU HA H 65 4.314 4.102 0.212 1
1 773 . 2 1 1 A 65 65 GLU C C 65 175.016 178.542 -3.526 1
1 774 . 2 1 1 A 65 65 GLU CA C 65 57.750 58.901 -1.151 1
1 775 . 2 1 1 A 65 65 GLU CB C 65 30.083 29.567 0.516 1
1 777 . 2 1 1 A 65 65 GLU N N 65 122.323 121.133 1.190 1
1 778 . 2 1 1 A 66 66 GLU H H 66 8.397 7.808 0.589 1
1 779 . 2 1 1 A 66 66 GLU HA H 66 4.224 4.273 -0.049 1
1 784 . 2 1 1 A 66 66 GLU C C 66 176.855 177.252 -0.397 1
1 785 . 2 1 1 A 66 66 GLU CA C 66 58.023 56.274 1.749 1
1 786 . 2 1 1 A 66 66 GLU CB C 66 29.857 29.807 0.050 1
1 788 . 2 1 1 A 66 66 GLU N N 66 122.201 116.630 5.571 1
1 789 . 2 1 1 A 67 67 GLY H H 67 8.376 7.921 0.455 1
1 790 . 2 1 1 A 67 67 GLY HA2 H 67 3.834 3.921 -0.087 1
1 791 . 2 1 1 A 67 67 GLY HA3 H 67 3.834 3.921 -0.087 1
1 792 . 2 1 1 A 67 67 GLY C C 67 173.071 175.008 -1.937 1
1 793 . 2 1 1 A 67 67 GLY CA C 67 45.871 46.434 -0.563 1
1 794 . 2 1 1 A 67 67 GLY N N 67 109.499 108.107 1.392 1
1 795 . 2 1 1 A 68 68 ARG H H 68 8.011 8.139 -0.128 1
1 796 . 2 1 1 A 68 68 ARG HA H 68 4.482 3.819 0.663 1
1 808 . 2 1 1 A 68 68 ARG C C 68 177.494 178.351 -0.857 1
1 809 . 2 1 1 A 68 68 ARG CA C 68 57.574 58.722 -1.148 1
1 810 . 2 1 1 A 68 68 ARG CB C 68 30.325 29.868 0.457 1
1 813 . 2 1 1 A 68 68 ARG N N 68 122.501 121.961 0.540 1
1 815 . 2 1 1 A 69 69 LYS H H 69 7.986 7.976 0.010 1
1 816 . 2 1 1 A 69 69 LYS HA H 69 4.150 4.120 0.030 1
1 825 . 2 1 1 A 69 69 LYS C C 69 178.168 179.151 -0.983 1
1 826 . 2 1 1 A 69 69 LYS CA C 69 57.781 58.274 -0.493 1
1 827 . 2 1 1 A 69 69 LYS CB C 69 32.705 32.343 0.362 1
1 831 . 2 1 1 A 69 69 LYS N N 69 120.934 118.048 2.886 1
1 832 . 2 1 1 A 70 70 VAL H H 70 7.848 8.559 -0.711 1
1 833 . 2 1 1 A 70 70 VAL HA H 70 4.088 3.605 0.483 1
1 841 . 2 1 1 A 70 70 VAL C C 70 175.998 178.061 -2.063 1
1 842 . 2 1 1 A 70 70 VAL CA C 70 64.206 66.427 -2.221 1
1 843 . 2 1 1 A 70 70 VAL CB C 70 31.873 31.679 0.194 1
1 846 . 2 1 1 A 70 70 VAL N N 70 120.324 119.862 0.462 1
1 847 . 2 1 1 A 71 71 ALA H H 71 8.300 8.014 0.286 1
1 848 . 2 1 1 A 71 71 ALA HA H 71 4.221 4.431 -0.210 1
1 852 . 2 1 1 A 71 71 ALA C C 71 178.225 180.375 -2.150 1
1 853 . 2 1 1 A 71 71 ALA CA C 71 53.106 55.840 -2.734 1
1 854 . 2 1 1 A 71 71 ALA CB C 71 19.128 18.427 0.701 1
1 855 . 2 1 1 A 71 71 ALA N N 71 127.025 122.275 4.750 1
1 856 . 2 1 1 A 72 72 GLU H H 72 8.181 8.009 0.172 1
1 857 . 2 1 1 A 72 72 GLU HA H 72 4.219 4.094 0.125 1
1 862 . 2 1 1 A 72 72 GLU C C 72 176.779 179.684 -2.905 1
1 863 . 2 1 1 A 72 72 GLU CA C 72 56.776 59.697 -2.921 1
1 864 . 2 1 1 A 72 72 GLU CB C 72 28.610 29.098 -0.488 1
1 866 . 2 1 1 A 72 72 GLU N N 72 123.008 117.909 5.099 1
1 867 . 2 1 1 A 73 73 GLN H H 73 8.132 8.216 -0.084 1
1 868 . 2 1 1 A 73 73 GLN HA H 73 4.141 4.157 -0.016 1
1 875 . 2 1 1 A 73 73 GLN C C 73 175.803 178.583 -2.780 1
1 876 . 2 1 1 A 73 73 GLN CA C 73 56.456 58.551 -2.095 1
1 877 . 2 1 1 A 73 73 GLN CB C 73 28.290 28.205 0.085 1
1 879 . 2 1 1 A 73 73 GLN N N 73 120.564 120.226 0.338 1
1 881 . 2 1 1 A 74 74 VAL H H 74 8.088 7.491 0.597 1
1 882 . 2 1 1 A 74 74 VAL HA H 74 3.986 3.530 0.456 1
1 890 . 2 1 1 A 74 74 VAL C C 74 176.167 177.785 -1.618 1
1 891 . 2 1 1 A 74 74 VAL CA C 74 63.123 66.364 -3.241 1
1 892 . 2 1 1 A 74 74 VAL CB C 74 30.082 31.424 -1.342 1
1 895 . 2 1 1 A 74 74 VAL N N 74 121.828 120.307 1.521 1
1 896 . 2 1 1 A 75 75 MET H H 75 8.167 7.799 0.368 1
1 897 . 2 1 1 A 75 75 MET HA H 75 4.093 4.129 -0.036 1
1 903 . 2 1 1 A 75 75 MET C C 75 176.455 178.617 -2.162 1
1 904 . 2 1 1 A 75 75 MET N N 75 123.990 117.263 6.727 1
1 905 . 2 1 1 A 76 76 LYS H H 76 8.287 8.199 0.088 1
1 906 . 2 1 1 A 76 76 LYS HA H 76 4.234 4.075 0.159 1
1 915 . 2 1 1 A 76 76 LYS C C 76 176.220 178.686 -2.466 1
1 916 . 2 1 1 A 76 76 LYS CA C 76 56.765 58.757 -1.992 1
1 917 . 2 1 1 A 76 76 LYS CB C 76 33.055 32.235 0.820 1
1 921 . 2 1 1 A 76 76 LYS N N 76 122.725 119.806 2.919 1
1 922 . 2 1 1 A 77 77 ALA H H 77 8.308 8.147 0.161 1
1 923 . 2 1 1 A 77 77 ALA HA H 77 4.213 4.016 0.197 1
1 927 . 2 1 1 A 77 77 ALA C C 77 178.097 179.890 -1.793 1
1 928 . 2 1 1 A 77 77 ALA CA C 77 52.740 55.052 -2.312 1
1 929 . 2 1 1 A 77 77 ALA CB C 77 19.427 18.488 0.939 1
1 930 . 2 1 1 A 77 77 ALA N N 77 125.316 122.787 2.529 1
1 931 . 2 1 1 A 78 78 GLY H H 78 8.284 8.149 0.135 1
1 932 . 2 1 1 A 78 78 GLY HA2 H 78 3.873 3.512 0.361 1
1 933 . 2 1 1 A 78 78 GLY HA3 H 78 3.873 3.723 0.150 1
1 934 . 2 1 1 A 78 78 GLY C C 78 174.065 175.586 -1.521 1
1 935 . 2 1 1 A 78 78 GLY CA C 78 45.497 47.346 -1.849 1
1 936 . 2 1 1 A 78 78 GLY N N 78 107.778 106.393 1.385 1
1 937 . 2 1 1 A 79 79 ILE H H 79 7.882 8.370 -0.488 1
1 938 . 2 1 1 A 79 79 ILE HA H 79 4.119 3.949 0.170 1
1 948 . 2 1 1 A 79 79 ILE C C 79 176.160 178.197 -2.037 1
1 949 . 2 1 1 A 79 79 ILE CA C 79 61.436 64.283 -2.847 1
1 950 . 2 1 1 A 79 79 ILE CB C 79 38.904 37.222 1.682 1
1 954 . 2 1 1 A 79 79 ILE N N 79 119.794 122.543 -2.749 1
1 955 . 2 1 1 A 80 80 GLU H H 80 8.354 7.945 0.409 1
1 956 . 2 1 1 A 80 80 GLU HA H 80 4.282 4.003 0.279 1
1 961 . 2 1 1 A 80 80 GLU C C 80 176.174 179.119 -2.945 1
1 962 . 2 1 1 A 80 80 GLU CA C 80 57.178 59.084 -1.906 1
1 963 . 2 1 1 A 80 80 GLU CB C 80 30.019 29.283 0.736 1
1 965 . 2 1 1 A 80 80 GLU N N 80 124.311 119.182 5.129 1
1 966 . 2 1 1 A 81 81 VAL H H 81 8.205 7.571 0.634 1
1 967 . 2 1 1 A 81 81 VAL HA H 81 3.985 3.470 0.515 1
1 975 . 2 1 1 A 81 81 VAL C C 81 175.815 177.889 -2.074 1
1 976 . 2 1 1 A 81 81 VAL CA C 81 62.865 66.302 -3.437 1
1 977 . 2 1 1 A 81 81 VAL CB C 81 32.629 31.447 1.182 1
1 980 . 2 1 1 A 81 81 VAL N N 81 121.106 120.321 0.785 1
1 981 . 2 1 1 A 82 82 PHE H H 82 8.252 7.865 0.387 1
1 982 . 2 1 1 A 82 82 PHE HA H 82 4.551 4.219 0.332 1
1 990 . 2 1 1 A 82 82 PHE C C 82 175.631 177.947 -2.316 1
1 991 . 2 1 1 A 82 82 PHE CA C 82 58.206 61.530 -3.324 1
1 992 . 2 1 1 A 82 82 PHE CB C 82 39.431 37.668 1.763 1
1 993 . 2 1 1 A 82 82 PHE N N 82 123.622 118.130 5.492 1
1 994 . 2 1 1 A 83 83 ALA H H 83 8.184 8.447 -0.263 1
1 995 . 2 1 1 A 83 83 ALA HA H 83 4.230 4.117 0.113 1
1 999 . 2 1 1 A 83 83 ALA C C 83 178.025 180.011 -1.986 1
1 1000 . 2 1 1 A 83 83 ALA CA C 83 52.731 55.029 -2.298 1
1 1001 . 2 1 1 A 83 83 ALA CB C 83 19.359 18.399 0.960 1
1 1002 . 2 1 1 A 83 83 ALA N N 83 125.081 122.280 2.801 1
1 1003 . 2 1 1 A 84 84 LEU H H 84 8.104 8.008 0.096 1
1 1004 . 2 1 1 A 84 84 LEU HA H 84 4.167 4.119 0.048 1
1 1014 . 2 1 1 A 84 84 LEU C C 84 176.390 178.554 -2.164 1
1 1015 . 2 1 1 A 84 84 LEU CA C 84 55.786 57.849 -2.063 1
1 1016 . 2 1 1 A 84 84 LEU CB C 84 42.179 41.587 0.592 1
1 1020 . 2 1 1 A 84 84 LEU N N 84 119.064 120.027 -0.963 1
1 1021 . 2 1 1 A 85 85 VAL H H 85 8.155 7.489 0.666 1
1 1022 . 2 1 1 A 85 85 VAL HA H 85 4.073 4.034 0.039 1
1 1030 . 2 1 1 A 85 85 VAL C C 85 176.521 177.657 -1.136 1
1 1031 . 2 1 1 A 85 85 VAL CA C 85 62.762 64.542 -1.780 1
1 1032 . 2 1 1 A 85 85 VAL CB C 85 32.498 31.615 0.883 1
1 1035 . 2 1 1 A 85 85 VAL N N 85 121.743 114.139 7.604 1
1 1036 . 2 1 1 A 86 86 THR H H 86 8.052 7.936 0.116 1
1 1037 . 2 1 1 A 86 86 THR HA H 86 4.141 3.965 0.176 1
1 1042 . 2 1 1 A 86 86 THR C C 86 174.706 176.228 -1.522 1
1 1043 . 2 1 1 A 86 86 THR CA C 86 62.351 66.076 -3.725 1
1 1044 . 2 1 1 A 86 86 THR CB C 86 69.618 68.325 1.293 1
1 1046 . 2 1 1 A 86 86 THR N N 86 117.693 116.428 1.265 1
1 1047 . 2 1 1 A 87 87 ALA H H 87 8.216 8.244 -0.028 1
1 1048 . 2 1 1 A 87 87 ALA HA H 87 4.170 3.999 0.171 1
1 1052 . 2 1 1 A 87 87 ALA C C 87 178.003 179.869 -1.866 1
1 1053 . 2 1 1 A 87 87 ALA CA C 87 52.967 55.580 -2.613 1
1 1054 . 2 1 1 A 87 87 ALA CB C 87 18.326 17.844 0.482 1
1 1055 . 2 1 1 A 87 87 ALA N N 87 126.174 123.329 2.845 1
1 1056 . 2 1 1 A 88 88 ALA H H 88 8.129 7.970 0.159 1
1 1057 . 2 1 1 A 88 88 ALA HA H 88 4.147 3.504 0.643 1
1 1061 . 2 1 1 A 88 88 ALA C C 88 178.246 180.233 -1.987 1
1 1062 . 2 1 1 A 88 88 ALA CA C 88 52.961 54.665 -1.704 1
1 1063 . 2 1 1 A 88 88 ALA CB C 88 19.290 18.451 0.839 1
1 1064 . 2 1 1 A 88 88 ALA N N 88 122.649 120.721 1.928 1
1 1065 . 2 1 1 A 89 89 LEU H H 89 7.992 7.784 0.208 1
1 1066 . 2 1 1 A 89 89 LEU HA H 89 4.153 4.029 0.124 1
1 1076 . 2 1 1 A 89 89 LEU C C 89 176.375 179.435 -3.060 1
1 1077 . 2 1 1 A 89 89 LEU CA C 89 57.099 57.663 -0.564 1
1 1078 . 2 1 1 A 89 89 LEU CB C 89 42.055 41.297 0.758 1
1 1082 . 2 1 1 A 89 89 LEU N N 89 120.616 120.049 0.567 1
1 1083 . 2 1 1 A 90 90 ALA H H 90 8.168 8.180 -0.012 1
1 1084 . 2 1 1 A 90 90 ALA HA H 90 4.218 4.225 -0.007 1
1 1088 . 2 1 1 A 90 90 ALA C C 90 178.487 179.708 -1.221 1
1 1089 . 2 1 1 A 90 90 ALA CA C 90 53.043 55.151 -2.108 1
1 1090 . 2 1 1 A 90 90 ALA CB C 90 19.269 18.386 0.883 1
1 1091 . 2 1 1 A 90 90 ALA N N 90 124.243 122.996 1.247 1
1 1092 . 2 1 1 A 91 91 THR H H 91 7.988 8.069 -0.081 1
1 1093 . 2 1 1 A 91 91 THR HA H 91 4.181 4.049 0.132 1
1 1098 . 2 1 1 A 91 91 THR C C 91 174.931 176.295 -1.364 1
1 1099 . 2 1 1 A 91 91 THR CA C 91 62.190 63.801 -1.611 1
1 1100 . 2 1 1 A 91 91 THR CB C 91 69.198 68.665 0.533 1
1 1102 . 2 1 1 A 91 91 THR N N 91 112.659 110.565 2.094 1
1 1103 . 2 1 1 A 92 92 ASP H H 92 8.254 8.122 0.132 1
1 1104 . 2 1 1 A 92 92 ASP HA H 92 4.541 4.343 0.198 1
1 1107 . 2 1 1 A 92 92 ASP C C 92 175.823 178.128 -2.305 1
1 1108 . 2 1 1 A 92 92 ASP CA C 92 53.570 56.825 -3.255 1
1 1109 . 2 1 1 A 92 92 ASP CB C 92 38.750 40.610 -1.860 1
1 1110 . 2 1 1 A 92 92 ASP N N 92 120.688 122.949 -2.261 1
1 1111 . 2 1 1 A 93 93 PHE H H 93 8.048 8.130 -0.082 1
1 1112 . 2 1 1 A 93 93 PHE HA H 93 4.547 4.438 0.109 1
1 1120 . 2 1 1 A 93 93 PHE C C 93 176.384 177.419 -1.035 1
1 1121 . 2 1 1 A 93 93 PHE CA C 93 58.633 59.583 -0.950 1
1 1122 . 2 1 1 A 93 93 PHE CB C 93 39.451 37.893 1.558 1
1 1123 . 2 1 1 A 93 93 PHE N N 93 120.763 117.371 3.392 1
1 1124 . 2 1 1 A 94 94 VAL H H 94 7.904 7.471 0.433 1
1 1125 . 2 1 1 A 94 94 VAL HA H 94 4.364 3.370 0.994 1
1 1133 . 2 1 1 A 94 94 VAL C C 94 176.851 178.041 -1.190 1
1 1134 . 2 1 1 A 94 94 VAL CA C 94 63.297 65.969 -2.672 1
1 1135 . 2 1 1 A 94 94 VAL CB C 94 29.241 31.015 -1.774 1
1 1138 . 2 1 1 A 94 94 VAL N N 94 121.478 120.604 0.874 1
1 1139 . 2 1 1 A 95 95 ARG H H 95 8.146 7.549 0.597 1
1 1140 . 2 1 1 A 95 95 ARG HA H 95 4.134 4.011 0.123 1
1 1152 . 2 1 1 A 95 95 ARG C C 95 177.395 178.630 -1.235 1
1 1153 . 2 1 1 A 95 95 ARG CA C 95 55.978 58.808 -2.830 1
1 1154 . 2 1 1 A 95 95 ARG CB C 95 31.070 29.573 1.497 1
1 1157 . 2 1 1 A 95 95 ARG N N 95 122.920 120.552 2.368 1
1 1159 . 2 1 1 A 96 96 ARG H H 96 8.313 8.373 -0.060 1
1 1160 . 2 1 1 A 96 96 ARG HA H 96 4.180 4.183 -0.003 1
1 1172 . 2 1 1 A 96 96 ARG C C 96 176.839 177.191 -0.352 1
1 1173 . 2 1 1 A 96 96 ARG CA C 96 56.831 57.921 -1.090 1
1 1174 . 2 1 1 A 96 96 ARG CB C 96 30.952 28.999 1.953 1
1 1177 . 2 1 1 A 96 96 ARG N N 96 121.064 117.210 3.854 1
1 1179 . 2 1 1 A 97 97 GLU H H 97 8.356 7.835 0.521 1
1 1180 . 2 1 1 A 97 97 GLU HA H 97 4.220 4.354 -0.134 1
1 1185 . 2 1 1 A 97 97 GLU C C 97 176.319 176.627 -0.308 1
1 1186 . 2 1 1 A 97 97 GLU CA C 97 57.408 57.973 -0.565 1
1 1187 . 2 1 1 A 97 97 GLU CB C 97 28.610 30.293 -1.683 1
1 1189 . 2 1 1 A 97 97 GLU N N 97 121.754 118.108 3.646 1
1 1190 . 2 1 1 A 98 98 GLU H H 98 8.328 7.941 0.387 1
1 1191 . 2 1 1 A 98 98 GLU HA H 98 4.240 4.619 -0.379 1
1 1196 . 2 1 1 A 98 98 GLU C C 98 176.132 176.838 -0.706 1
1 1197 . 2 1 1 A 98 98 GLU CA C 98 57.666 55.210 2.456 1
1 1198 . 2 1 1 A 98 98 GLU CB C 98 30.045 31.853 -1.808 1
1 1200 . 2 1 1 A 98 98 GLU N N 98 121.414 119.184 2.230 1
1 1201 . 2 1 1 A 99 99 GLU H H 99 8.418 8.848 -0.430 1
1 1202 . 2 1 1 A 99 99 GLU HA H 99 4.299 3.839 0.460 1
1 1207 . 2 1 1 A 99 99 GLU C C 99 177.021 176.893 0.128 1
1 1208 . 2 1 1 A 99 99 GLU CA C 99 57.397 59.373 -1.976 1
1 1209 . 2 1 1 A 99 99 GLU CB C 99 30.309 27.944 2.365 1
1 1211 . 2 1 1 A 99 99 GLU N N 99 121.312 116.993 4.319 1
1 1212 . 2 1 1 A 100 100 ARG H H 100 8.013 8.631 -0.618 1
1 1213 . 2 1 1 A 100 100 ARG HA H 100 4.180 4.112 0.068 1
1 1225 . 2 1 1 A 100 100 ARG C C 100 176.313 175.639 0.674 1
1 1226 . 2 1 1 A 100 100 ARG CA C 100 57.238 59.033 -1.795 1
1 1227 . 2 1 1 A 100 100 ARG CB C 100 30.298 30.570 -0.272 1
1 1230 . 2 1 1 A 100 100 ARG N N 100 121.871 119.994 1.877 1
1 1232 . 2 1 1 A 101 101 ARG H H 101 8.260 8.208 0.052 1
1 1233 . 2 1 1 A 101 101 ARG HA H 101 4.260 4.883 -0.623 1
1 1245 . 2 1 1 A 101 101 ARG C C 101 176.753 176.553 0.200 1
1 1246 . 2 1 1 A 101 101 ARG CA C 101 56.492 54.868 1.624 1
1 1247 . 2 1 1 A 101 101 ARG CB C 101 30.838 32.507 -1.669 1
1 1250 . 2 1 1 A 101 101 ARG N N 101 122.019 119.080 2.939 1
1 1252 . 2 1 1 A 102 102 GLY H H 102 8.380 8.606 -0.226 1
1 1253 . 2 1 1 A 102 102 GLY HA2 H 102 3.849 4.022 -0.173 1
1 1254 . 2 1 1 A 102 102 GLY HA3 H 102 3.849 4.031 -0.182 1
1 1255 . 2 1 1 A 102 102 GLY C C 102 173.145 173.146 -0.001 1
1 1256 . 2 1 1 A 102 102 GLY CA C 102 45.401 45.230 0.171 1
1 1257 . 2 1 1 A 102 102 GLY N N 102 110.110 114.248 -4.138 1
1 9 . 3 1 1 A 2 2 ALA H H 2 8.742 8.572 0.170 1
1 10 . 3 1 1 A 2 2 ALA HA H 2 4.302 4.313 -0.011 1
1 14 . 3 1 1 A 2 2 ALA C C 2 177.216 177.067 0.149 1
1 15 . 3 1 1 A 2 2 ALA CA C 2 52.876 54.245 -1.369 1
1 16 . 3 1 1 A 2 2 ALA CB C 2 19.182 19.354 -0.172 1
1 17 . 3 1 1 A 2 2 ALA N N 2 124.657 122.261 2.396 1
1 18 . 3 1 1 A 3 3 ASP H H 3 8.432 7.982 0.450 1
1 19 . 3 1 1 A 3 3 ASP HA H 3 4.530 4.860 -0.330 1
1 22 . 3 1 1 A 3 3 ASP C C 3 176.023 177.052 -1.029 1
1 23 . 3 1 1 A 3 3 ASP CA C 3 53.721 55.699 -1.978 1
1 24 . 3 1 1 A 3 3 ASP CB C 3 38.752 42.346 -3.594 1
1 25 . 3 1 1 A 3 3 ASP N N 3 118.729 115.076 3.653 1
1 26 . 3 1 1 A 4 4 HIS H H 4 8.549 8.650 -0.101 1
1 27 . 3 1 1 A 4 4 HIS HA H 4 4.568 4.362 0.206 1
1 32 . 3 1 1 A 4 4 HIS C C 4 175.101 176.940 -1.839 1
1 33 . 3 1 1 A 4 4 HIS CA C 4 56.640 58.791 -2.151 1
1 34 . 3 1 1 A 4 4 HIS CB C 4 28.961 28.395 0.566 1
1 37 . 3 1 1 A 4 4 HIS N N 4 119.650 118.066 1.584 1
1 38 . 3 1 1 A 5 5 GLU H H 5 8.330 7.576 0.754 1
1 39 . 3 1 1 A 5 5 GLU HA H 5 4.207 3.979 0.228 1
1 44 . 3 1 1 A 5 5 GLU C C 5 175.749 179.158 -3.409 1
1 45 . 3 1 1 A 5 5 GLU CA C 5 56.594 58.452 -1.858 1
1 46 . 3 1 1 A 5 5 GLU CB C 5 29.285 28.723 0.562 1
1 48 . 3 1 1 A 5 5 GLU N N 5 120.937 120.550 0.387 1
1 49 . 3 1 1 A 6 6 ARG H H 6 8.325 7.997 0.328 1
1 50 . 3 1 1 A 6 6 ARG HA H 6 4.571 3.981 0.590 1
1 62 . 3 1 1 A 6 6 ARG C C 6 177.578 178.500 -0.922 1
1 63 . 3 1 1 A 6 6 ARG CA C 6 56.716 59.265 -2.549 1
1 64 . 3 1 1 A 6 6 ARG CB C 6 30.744 29.630 1.114 1
1 67 . 3 1 1 A 6 6 ARG N N 6 120.267 121.484 -1.217 1
1 69 . 3 1 1 A 7 7 GLU H H 7 8.136 8.280 -0.144 1
1 70 . 3 1 1 A 7 7 GLU HA H 7 4.165 4.033 0.132 1
1 75 . 3 1 1 A 7 7 GLU C C 7 177.156 178.254 -1.098 1
1 76 . 3 1 1 A 7 7 GLU CA C 7 57.125 59.698 -2.573 1
1 77 . 3 1 1 A 7 7 GLU CB C 7 30.149 29.164 0.985 1
1 79 . 3 1 1 A 7 7 GLU N N 7 121.008 119.194 1.814 1
1 80 . 3 1 1 A 8 8 ALA H H 8 8.325 7.839 0.486 1
1 81 . 3 1 1 A 8 8 ALA HA H 8 4.212 4.002 0.210 1
1 85 . 3 1 1 A 8 8 ALA C C 8 178.913 179.171 -0.258 1
1 86 . 3 1 1 A 8 8 ALA CA C 8 52.832 55.145 -2.313 1
1 87 . 3 1 1 A 8 8 ALA CB C 8 18.909 18.105 0.804 1
1 88 . 3 1 1 A 8 8 ALA N N 8 124.538 121.484 3.054 1
1 89 . 3 1 1 A 9 9 GLN H H 9 8.159 8.330 -0.171 1
1 90 . 3 1 1 A 9 9 GLN HA H 9 4.140 3.889 0.251 1
1 97 . 3 1 1 A 9 9 GLN C C 9 175.771 178.400 -2.629 1
1 98 . 3 1 1 A 9 9 GLN CA C 9 57.655 59.228 -1.573 1
1 99 . 3 1 1 A 9 9 GLN CB C 9 28.606 28.292 0.314 1
1 101 . 3 1 1 A 9 9 GLN N N 9 124.103 117.674 6.429 1
1 103 . 3 1 1 A 10 10 LYS H H 10 8.148 8.168 -0.020 1
1 104 . 3 1 1 A 10 10 LYS HA H 10 4.204 4.036 0.168 1
1 113 . 3 1 1 A 10 10 LYS C C 10 177.798 178.686 -0.888 1
1 114 . 3 1 1 A 10 10 LYS CA C 10 57.139 58.620 -1.481 1
1 115 . 3 1 1 A 10 10 LYS CB C 10 33.040 32.054 0.986 1
1 119 . 3 1 1 A 10 10 LYS N N 10 120.635 119.715 0.920 1
1 120 . 3 1 1 A 11 11 ALA H H 11 8.148 8.087 0.061 1
1 121 . 3 1 1 A 11 11 ALA HA H 11 4.140 3.968 0.172 1
1 125 . 3 1 1 A 11 11 ALA C C 11 178.173 179.981 -1.808 1
1 126 . 3 1 1 A 11 11 ALA CA C 11 53.351 54.958 -1.607 1
1 127 . 3 1 1 A 11 11 ALA CB C 11 19.128 18.115 1.013 1
1 128 . 3 1 1 A 11 11 ALA N N 11 123.171 121.347 1.824 1
1 129 . 3 1 1 A 12 12 GLU H H 12 8.248 7.855 0.393 1
1 130 . 3 1 1 A 12 12 GLU HA H 12 4.222 3.942 0.280 1
1 135 . 3 1 1 A 12 12 GLU C C 12 176.385 178.865 -2.480 1
1 136 . 3 1 1 A 12 12 GLU CA C 12 57.442 59.283 -1.841 1
1 137 . 3 1 1 A 12 12 GLU CB C 12 30.001 29.056 0.945 1
1 139 . 3 1 1 A 12 12 GLU N N 12 119.451 118.584 0.867 1
1 140 . 3 1 1 A 13 13 GLU H H 13 8.372 7.833 0.539 1
1 141 . 3 1 1 A 13 13 GLU HA H 13 4.265 4.132 0.133 1
1 146 . 3 1 1 A 13 13 GLU C C 13 178.060 179.283 -1.223 1
1 147 . 3 1 1 A 13 13 GLU CA C 13 56.828 58.938 -2.110 1
1 148 . 3 1 1 A 13 13 GLU CB C 13 30.082 28.896 1.186 1
1 150 . 3 1 1 A 13 13 GLU N N 13 121.080 120.731 0.349 1
1 151 . 3 1 1 A 14 14 GLU H H 14 8.152 7.596 0.556 1
1 152 . 3 1 1 A 14 14 GLU HA H 14 4.142 4.052 0.090 1
1 157 . 3 1 1 A 14 14 GLU C C 14 176.274 179.195 -2.921 1
1 158 . 3 1 1 A 14 14 GLU CA C 14 56.892 59.032 -2.140 1
1 159 . 3 1 1 A 14 14 GLU CB C 14 28.169 29.671 -1.502 1
1 161 . 3 1 1 A 14 14 GLU N N 14 120.236 121.159 -0.923 1
1 162 . 3 1 1 A 15 15 LEU H H 15 8.301 7.834 0.467 1
1 163 . 3 1 1 A 15 15 LEU HA H 15 4.224 4.034 0.190 1
1 173 . 3 1 1 A 15 15 LEU C C 15 177.983 178.735 -0.752 1
1 174 . 3 1 1 A 15 15 LEU CA C 15 56.344 57.623 -1.279 1
1 175 . 3 1 1 A 15 15 LEU CB C 15 42.250 41.742 0.508 1
1 179 . 3 1 1 A 15 15 LEU N N 15 123.072 121.257 1.815 1
1 180 . 3 1 1 A 16 16 GLN H H 16 8.132 7.749 0.383 1
1 181 . 3 1 1 A 16 16 GLN HA H 16 4.145 4.074 0.071 1
1 188 . 3 1 1 A 16 16 GLN C C 16 177.674 179.007 -1.333 1
1 189 . 3 1 1 A 16 16 GLN CA C 16 57.971 59.065 -1.094 1
1 190 . 3 1 1 A 16 16 GLN CB C 16 29.889 28.212 1.677 1
1 192 . 3 1 1 A 16 16 GLN N N 16 119.160 117.737 1.423 1
1 194 . 3 1 1 A 17 17 LYS H H 17 8.214 7.587 0.627 1
1 195 . 3 1 1 A 17 17 LYS HA H 17 4.140 4.166 -0.026 1
1 204 . 3 1 1 A 17 17 LYS C C 17 177.646 178.986 -1.340 1
1 205 . 3 1 1 A 17 17 LYS CA C 17 57.115 58.891 -1.776 1
1 206 . 3 1 1 A 17 17 LYS CB C 17 32.833 32.455 0.378 1
1 210 . 3 1 1 A 17 17 LYS N N 17 120.310 121.238 -0.928 1
1 211 . 3 1 1 A 18 18 VAL H H 18 7.871 7.489 0.382 1
1 212 . 3 1 1 A 18 18 VAL HA H 18 4.108 3.575 0.533 1
1 220 . 3 1 1 A 18 18 VAL C C 18 177.476 178.029 -0.553 1
1 221 . 3 1 1 A 18 18 VAL CA C 18 63.634 66.284 -2.650 1
1 222 . 3 1 1 A 18 18 VAL CB C 18 31.886 31.465 0.421 1
1 225 . 3 1 1 A 18 18 VAL N N 18 120.571 120.110 0.461 1
1 226 . 3 1 1 A 19 19 LEU H H 19 8.180 7.890 0.290 1
1 227 . 3 1 1 A 19 19 LEU HA H 19 4.042 3.913 0.129 1
1 237 . 3 1 1 A 19 19 LEU C C 19 179.462 179.270 0.192 1
1 238 . 3 1 1 A 19 19 LEU CA C 19 57.653 58.191 -0.538 1
1 239 . 3 1 1 A 19 19 LEU CB C 19 41.800 41.128 0.672 1
1 243 . 3 1 1 A 19 19 LEU N N 19 122.936 120.351 2.585 1
1 244 . 3 1 1 A 20 20 GLU H H 20 8.122 8.260 -0.138 1
1 245 . 3 1 1 A 20 20 GLU HA H 20 4.156 4.230 -0.074 1
1 250 . 3 1 1 A 20 20 GLU C C 20 178.001 178.302 -0.301 1
1 251 . 3 1 1 A 20 20 GLU CA C 20 58.045 59.216 -1.171 1
1 252 . 3 1 1 A 20 20 GLU CB C 20 30.092 29.202 0.890 1
1 254 . 3 1 1 A 20 20 GLU N N 20 118.745 118.089 0.656 1
1 255 . 3 1 1 A 21 21 GLU H H 21 8.190 7.738 0.452 1
1 256 . 3 1 1 A 21 21 GLU HA H 21 4.144 4.188 -0.044 1
1 261 . 3 1 1 A 21 21 GLU C C 21 177.290 179.007 -1.717 1
1 262 . 3 1 1 A 21 21 GLU CA C 21 58.109 59.043 -0.934 1
1 263 . 3 1 1 A 21 21 GLU CB C 21 29.868 29.731 0.137 1
1 265 . 3 1 1 A 21 21 GLU N N 21 119.542 119.662 -0.120 1
1 266 . 3 1 1 A 22 22 ALA H H 22 8.092 8.485 -0.393 1
1 267 . 3 1 1 A 22 22 ALA HA H 22 4.173 4.190 -0.017 1
1 271 . 3 1 1 A 22 22 ALA C C 22 179.020 179.977 -0.957 1
1 272 . 3 1 1 A 22 22 ALA CA C 22 53.944 55.121 -1.177 1
1 273 . 3 1 1 A 22 22 ALA CB C 22 18.578 18.119 0.459 1
1 274 . 3 1 1 A 22 22 ALA N N 22 123.378 123.649 -0.271 1
1 275 . 3 1 1 A 23 23 SER H H 23 8.079 8.245 -0.166 1
1 276 . 3 1 1 A 23 23 SER HA H 23 4.300 4.313 -0.013 1
1 279 . 3 1 1 A 23 23 SER C C 23 173.125 176.872 -3.747 1
1 280 . 3 1 1 A 23 23 SER CA C 23 59.414 61.684 -2.270 1
1 281 . 3 1 1 A 23 23 SER CB C 23 63.520 62.673 0.847 1
1 282 . 3 1 1 A 23 23 SER N N 23 114.637 113.085 1.552 1
1 283 . 3 1 1 A 24 24 LYS H H 24 8.032 8.286 -0.254 1
1 284 . 3 1 1 A 24 24 LYS HA H 24 4.325 4.132 0.193 1
1 293 . 3 1 1 A 24 24 LYS C C 24 175.423 178.977 -3.554 1
1 294 . 3 1 1 A 24 24 LYS CA C 24 57.273 59.681 -2.408 1
1 295 . 3 1 1 A 24 24 LYS CB C 24 31.200 32.411 -1.211 1
1 299 . 3 1 1 A 24 24 LYS N N 24 122.635 121.987 0.648 1
1 300 . 3 1 1 A 25 25 LYS H H 25 8.042 8.035 0.007 1
1 301 . 3 1 1 A 25 25 LYS HA H 25 4.169 4.079 0.090 1
1 310 . 3 1 1 A 25 25 LYS C C 25 177.025 179.124 -2.099 1
1 311 . 3 1 1 A 25 25 LYS CA C 25 56.876 59.474 -2.598 1
1 312 . 3 1 1 A 25 25 LYS CB C 25 31.200 32.277 -1.077 1
1 316 . 3 1 1 A 25 25 LYS N N 25 121.079 119.501 1.578 1
1 317 . 3 1 1 A 26 26 ALA H H 26 8.103 8.487 -0.384 1
1 318 . 3 1 1 A 26 26 ALA HA H 26 4.196 4.006 0.190 1
1 322 . 3 1 1 A 26 26 ALA C C 26 178.418 179.863 -1.445 1
1 323 . 3 1 1 A 26 26 ALA CA C 26 53.049 55.115 -2.066 1
1 324 . 3 1 1 A 26 26 ALA CB C 26 19.055 18.645 0.410 1
1 325 . 3 1 1 A 26 26 ALA N N 26 124.589 122.076 2.513 1
1 326 . 3 1 1 A 27 27 VAL H H 27 8.030 8.047 -0.017 1
1 327 . 3 1 1 A 27 27 VAL HA H 27 3.945 3.798 0.147 1
1 335 . 3 1 1 A 27 27 VAL C C 27 179.177 177.681 1.496 1
1 336 . 3 1 1 A 27 27 VAL CA C 27 63.001 64.760 -1.759 1
1 337 . 3 1 1 A 27 27 VAL CB C 27 32.449 31.453 0.996 1
1 340 . 3 1 1 A 27 27 VAL N N 27 119.340 116.830 2.510 1
1 341 . 3 1 1 A 28 28 GLU H H 28 8.187 8.439 -0.252 1
1 342 . 3 1 1 A 28 28 GLU HA H 28 4.166 4.154 0.012 1
1 347 . 3 1 1 A 28 28 GLU C C 28 176.411 179.168 -2.757 1
1 348 . 3 1 1 A 28 28 GLU CA C 28 57.290 58.914 -1.624 1
1 349 . 3 1 1 A 28 28 GLU CB C 28 30.025 28.953 1.072 1
1 351 . 3 1 1 A 28 28 GLU N N 28 120.351 121.594 -1.243 1
1 352 . 3 1 1 A 29 29 ALA H H 29 8.173 8.187 -0.014 1
1 353 . 3 1 1 A 29 29 ALA HA H 29 4.230 4.052 0.178 1
1 357 . 3 1 1 A 29 29 ALA C C 29 176.924 179.227 -2.303 1
1 358 . 3 1 1 A 29 29 ALA CA C 29 53.338 55.394 -2.056 1
1 359 . 3 1 1 A 29 29 ALA CB C 29 18.964 18.309 0.655 1
1 360 . 3 1 1 A 29 29 ALA N N 29 124.463 122.912 1.551 1
1 361 . 3 1 1 A 30 30 GLU H H 30 8.239 8.312 -0.073 1
1 362 . 3 1 1 A 30 30 GLU HA H 30 4.251 3.951 0.300 1
1 367 . 3 1 1 A 30 30 GLU C C 30 175.016 177.422 -2.406 1
1 368 . 3 1 1 A 30 30 GLU CA C 30 58.033 59.537 -1.504 1
1 369 . 3 1 1 A 30 30 GLU CB C 30 29.996 29.180 0.816 1
1 371 . 3 1 1 A 30 30 GLU N N 30 122.971 119.066 3.905 1
1 372 . 3 1 1 A 31 31 ARG H H 31 8.261 8.004 0.257 1
1 373 . 3 1 1 A 31 31 ARG HA H 31 4.255 4.182 0.073 1
1 385 . 3 1 1 A 31 31 ARG C C 31 176.727 177.129 -0.402 1
1 386 . 3 1 1 A 31 31 ARG CA C 31 56.565 57.261 -0.696 1
1 387 . 3 1 1 A 31 31 ARG CB C 31 30.783 28.951 1.832 1
1 390 . 3 1 1 A 31 31 ARG N N 31 121.894 117.258 4.636 1
1 392 . 3 1 1 A 32 32 GLY H H 32 8.302 8.572 -0.270 1
1 393 . 3 1 1 A 32 32 GLY HA2 H 32 3.852 4.034 -0.182 1
1 394 . 3 1 1 A 32 32 GLY HA3 H 32 3.852 4.036 -0.184 1
1 395 . 3 1 1 A 32 32 GLY C C 32 173.994 174.303 -0.309 1
1 396 . 3 1 1 A 32 32 GLY CA C 32 45.077 45.063 0.014 1
1 397 . 3 1 1 A 32 32 GLY N N 32 109.773 112.655 -2.882 1
1 398 . 3 1 1 A 33 33 ALA H H 33 8.011 8.429 -0.418 1
1 399 . 3 1 1 A 33 33 ALA HA H 33 4.212 4.580 -0.368 1
1 403 . 3 1 1 A 33 33 ALA CA C 33 50.522 49.968 0.554 1
1 404 . 3 1 1 A 33 33 ALA CB C 33 18.962 20.026 -1.064 1
1 405 . 3 1 1 A 33 33 ALA N N 33 123.601 123.796 -0.195 1
1 406 . 3 1 1 A 34 34 PRO HA H 34 4.352 4.280 0.072 1
1 413 . 3 1 1 A 34 34 PRO C C 34 177.746 177.516 0.230 1
1 414 . 3 1 1 A 34 34 PRO CA C 34 63.520 63.630 -0.110 1
1 415 . 3 1 1 A 34 34 PRO CB C 34 31.938 31.936 0.002 1
1 418 . 3 1 1 A 35 35 GLY H H 35 8.433 8.835 -0.402 1
1 419 . 3 1 1 A 35 35 GLY HA2 H 35 3.848 3.924 -0.076 1
1 420 . 3 1 1 A 35 35 GLY HA3 H 35 3.848 3.932 -0.084 1
1 421 . 3 1 1 A 35 35 GLY C C 35 173.266 174.870 -1.604 1
1 422 . 3 1 1 A 35 35 GLY CA C 35 45.405 45.173 0.232 1
1 423 . 3 1 1 A 35 35 GLY N N 35 109.298 111.519 -2.221 1
1 424 . 3 1 1 A 36 36 ALA H H 36 8.095 7.679 0.416 1
1 425 . 3 1 1 A 36 36 ALA HA H 36 4.196 4.323 -0.127 1
1 429 . 3 1 1 A 36 36 ALA C C 36 177.944 177.226 0.718 1
1 430 . 3 1 1 A 36 36 ALA CA C 36 52.551 51.765 0.786 1
1 431 . 3 1 1 A 36 36 ALA CB C 36 19.485 20.318 -0.833 1
1 432 . 3 1 1 A 36 36 ALA N N 36 124.605 123.155 1.450 1
1 433 . 3 1 1 A 37 37 ALA H H 37 8.199 8.215 -0.016 1
1 434 . 3 1 1 A 37 37 ALA HA H 37 4.491 4.515 -0.024 1
1 438 . 3 1 1 A 37 37 ALA C C 37 177.456 177.124 0.332 1
1 439 . 3 1 1 A 37 37 ALA CA C 37 52.453 50.997 1.456 1
1 440 . 3 1 1 A 37 37 ALA CB C 37 19.060 20.309 -1.249 1
1 441 . 3 1 1 A 37 37 ALA N N 37 123.695 120.063 3.632 1
1 442 . 3 1 1 A 38 38 LEU H H 38 8.099 7.506 0.593 1
1 443 . 3 1 1 A 38 38 LEU HA H 38 4.243 4.237 0.006 1
1 453 . 3 1 1 A 38 38 LEU C C 38 177.358 175.464 1.894 1
1 454 . 3 1 1 A 38 38 LEU CA C 38 55.218 53.862 1.356 1
1 455 . 3 1 1 A 38 38 LEU CB C 38 42.228 39.855 2.373 1
1 459 . 3 1 1 A 38 38 LEU N N 38 121.531 119.857 1.674 1
1 460 . 3 1 1 A 39 39 ILE H H 39 7.966 7.478 0.488 1
1 461 . 3 1 1 A 39 39 ILE HA H 39 4.136 4.280 -0.144 1
1 471 . 3 1 1 A 39 39 ILE C C 39 175.586 175.371 0.215 1
1 472 . 3 1 1 A 39 39 ILE CA C 39 60.873 60.172 0.701 1
1 473 . 3 1 1 A 39 39 ILE CB C 39 38.727 39.280 -0.553 1
1 477 . 3 1 1 A 39 39 ILE N N 39 121.669 118.647 3.022 1
1 478 . 3 1 1 A 40 40 SER H H 40 8.101 8.866 -0.765 1
1 479 . 3 1 1 A 40 40 SER HA H 40 4.347 4.524 -0.177 1
1 482 . 3 1 1 A 40 40 SER C C 40 173.336 174.005 -0.669 1
1 483 . 3 1 1 A 40 40 SER CA C 40 57.331 59.176 -1.845 1
1 484 . 3 1 1 A 40 40 SER CB C 40 63.983 62.145 1.838 1
1 485 . 3 1 1 A 40 40 SER N N 40 119.591 117.315 2.276 1
1 486 . 3 1 1 A 41 41 TYR H H 41 8.100 8.613 -0.513 1
1 487 . 3 1 1 A 41 41 TYR HA H 41 4.436 4.297 0.139 1
1 494 . 3 1 1 A 41 41 TYR CA C 41 56.067 62.581 -6.514 1
1 495 . 3 1 1 A 41 41 TYR CB C 41 38.244 38.147 0.097 1
1 496 . 3 1 1 A 41 41 TYR N N 41 122.744 127.236 -4.492 1
1 497 . 3 1 1 A 42 42 PRO HA H 42 4.281 4.117 0.164 1
1 504 . 3 1 1 A 42 42 PRO C C 42 176.765 178.062 -1.297 1
1 505 . 3 1 1 A 42 42 PRO CA C 42 63.650 64.904 -1.254 1
1 506 . 3 1 1 A 42 42 PRO CB C 42 30.513 31.234 -0.721 1
1 509 . 3 1 1 A 43 43 ASP H H 43 8.305 8.173 0.132 1
1 510 . 3 1 1 A 43 43 ASP HA H 43 4.548 4.375 0.173 1
1 513 . 3 1 1 A 43 43 ASP C C 43 175.135 178.243 -3.108 1
1 514 . 3 1 1 A 43 43 ASP CA C 43 53.570 57.117 -3.547 1
1 515 . 3 1 1 A 43 43 ASP CB C 43 38.450 40.878 -2.428 1
1 516 . 3 1 1 A 43 43 ASP N N 43 118.052 117.447 0.605 1
1 517 . 3 1 1 A 44 44 ALA H H 44 8.013 8.256 -0.243 1
1 518 . 3 1 1 A 44 44 ALA HA H 44 4.106 4.134 -0.028 1
1 522 . 3 1 1 A 44 44 ALA C C 44 177.969 179.717 -1.748 1
1 523 . 3 1 1 A 44 44 ALA CA C 44 52.867 55.303 -2.436 1
1 524 . 3 1 1 A 44 44 ALA CB C 44 19.023 18.166 0.857 1
1 525 . 3 1 1 A 44 44 ALA N N 44 123.344 121.993 1.351 1
1 526 . 3 1 1 A 45 45 ILE H H 45 7.860 7.592 0.268 1
1 527 . 3 1 1 A 45 45 ILE HA H 45 3.855 3.851 0.004 1
1 537 . 3 1 1 A 45 45 ILE C C 45 176.287 177.523 -1.236 1
1 538 . 3 1 1 A 45 45 ILE CA C 45 61.465 63.558 -2.093 1
1 539 . 3 1 1 A 45 45 ILE CB C 45 38.294 37.661 0.633 1
1 543 . 3 1 1 A 45 45 ILE N N 45 118.636 118.632 0.004 1
1 544 . 3 1 1 A 46 46 TRP H H 46 7.646 7.861 -0.215 1
1 545 . 3 1 1 A 46 46 TRP HA H 46 4.504 4.316 0.188 1
1 554 . 3 1 1 A 46 46 TRP C C 46 176.136 178.857 -2.721 1
1 555 . 3 1 1 A 46 46 TRP CA C 46 57.139 59.940 -2.801 1
1 556 . 3 1 1 A 46 46 TRP CB C 46 28.880 29.788 -0.908 1
1 558 . 3 1 1 A 46 46 TRP N N 46 122.947 122.402 0.545 1
1 560 . 3 1 1 A 47 47 TRP H H 47 7.502 8.113 -0.611 1
1 561 . 3 1 1 A 47 47 TRP HA H 47 4.482 4.308 0.174 1
1 570 . 3 1 1 A 47 47 TRP C C 47 176.149 178.548 -2.399 1
1 571 . 3 1 1 A 47 47 TRP CA C 47 57.197 61.050 -3.853 1
1 572 . 3 1 1 A 47 47 TRP CB C 47 29.703 29.538 0.165 1
1 573 . 3 1 1 A 47 47 TRP N N 47 120.943 121.686 -0.743 1
1 575 . 3 1 1 A 48 48 SER H H 48 7.861 8.188 -0.327 1
1 576 . 3 1 1 A 48 48 SER HA H 48 4.258 4.026 0.232 1
1 579 . 3 1 1 A 48 48 SER C C 48 174.600 175.433 -0.833 1
1 580 . 3 1 1 A 48 48 SER CA C 48 57.844 62.174 -4.330 1
1 581 . 3 1 1 A 48 48 SER CB C 48 64.102 63.115 0.987 1
1 582 . 3 1 1 A 48 48 SER N N 48 116.339 116.217 0.122 1
1 583 . 3 1 1 A 49 49 VAL H H 49 7.921 7.373 0.548 1
1 584 . 3 1 1 A 49 49 VAL HA H 49 3.990 4.125 -0.135 1
1 592 . 3 1 1 A 49 49 VAL C C 49 176.402 175.724 0.678 1
1 593 . 3 1 1 A 49 49 VAL CA C 49 62.909 61.814 1.095 1
1 594 . 3 1 1 A 49 49 VAL CB C 49 32.467 28.813 3.654 1
1 597 . 3 1 1 A 49 49 VAL N N 49 121.079 119.327 1.752 1
1 598 . 3 1 1 A 50 50 GLU H H 50 8.229 7.851 0.378 1
1 599 . 3 1 1 A 50 50 GLU HA H 50 4.307 4.472 -0.165 1
1 604 . 3 1 1 A 50 50 GLU C C 50 176.506 177.980 -1.474 1
1 605 . 3 1 1 A 50 50 GLU CA C 50 57.040 56.644 0.396 1
1 606 . 3 1 1 A 50 50 GLU CB C 50 30.123 31.720 -1.597 1
1 608 . 3 1 1 A 50 50 GLU N N 50 122.433 121.289 1.144 1
1 609 . 3 1 1 A 51 51 THR H H 51 7.993 7.727 0.266 1
1 610 . 3 1 1 A 51 51 THR HA H 51 4.248 3.778 0.470 1
1 615 . 3 1 1 A 51 51 THR C C 51 174.430 177.139 -2.709 1
1 616 . 3 1 1 A 51 51 THR CA C 51 62.227 65.570 -3.343 1
1 617 . 3 1 1 A 51 51 THR CB C 51 69.712 68.425 1.287 1
1 619 . 3 1 1 A 51 51 THR N N 51 114.413 115.533 -1.120 1
1 620 . 3 1 1 A 52 52 ALA H H 52 8.160 7.886 0.274 1
1 621 . 3 1 1 A 52 52 ALA HA H 52 4.212 4.206 0.006 1
1 625 . 3 1 1 A 52 52 ALA C C 52 177.976 178.693 -0.717 1
1 626 . 3 1 1 A 52 52 ALA CA C 52 53.069 54.267 -1.198 1
1 627 . 3 1 1 A 52 52 ALA CB C 52 19.178 18.375 0.803 1
1 628 . 3 1 1 A 52 52 ALA N N 52 125.641 123.392 2.249 1
1 629 . 3 1 1 A 53 53 THR H H 53 8.022 7.316 0.706 1
1 630 . 3 1 1 A 53 53 THR HA H 53 4.231 4.462 -0.231 1
1 635 . 3 1 1 A 53 53 THR C C 53 174.750 174.515 0.235 1
1 636 . 3 1 1 A 53 53 THR CA C 53 62.231 61.816 0.415 1
1 637 . 3 1 1 A 53 53 THR CB C 53 69.726 68.888 0.838 1
1 639 . 3 1 1 A 53 53 THR N N 53 112.100 107.199 4.901 1
1 640 . 3 1 1 A 54 54 THR H H 54 7.999 8.188 -0.189 1
1 641 . 3 1 1 A 54 54 THR HA H 54 4.303 4.002 0.301 1
1 646 . 3 1 1 A 54 54 THR C C 54 174.592 174.895 -0.303 1
1 647 . 3 1 1 A 54 54 THR CA C 54 62.002 62.973 -0.971 1
1 648 . 3 1 1 A 54 54 THR CB C 54 69.793 66.565 3.228 1
1 650 . 3 1 1 A 54 54 THR N N 54 116.238 115.198 1.040 1
1 651 . 3 1 1 A 55 55 VAL H H 55 8.098 8.091 0.007 1
1 652 . 3 1 1 A 55 55 VAL HA H 55 4.017 4.118 -0.101 1
1 660 . 3 1 1 A 55 55 VAL C C 55 176.453 176.843 -0.390 1
1 661 . 3 1 1 A 55 55 VAL CA C 55 62.650 63.158 -0.508 1
1 662 . 3 1 1 A 55 55 VAL CB C 55 32.524 32.378 0.146 1
1 665 . 3 1 1 A 55 55 VAL N N 55 122.445 121.283 1.162 1
1 666 . 3 1 1 A 56 56 GLY H H 56 8.308 7.911 0.397 1
1 667 . 3 1 1 A 56 56 GLY HA2 H 56 3.839 3.950 -0.111 1
1 668 . 3 1 1 A 56 56 GLY HA3 H 56 4.019 3.972 0.047 1
1 669 . 3 1 1 A 56 56 GLY C C 56 173.958 174.668 -0.710 1
1 670 . 3 1 1 A 56 56 GLY CA C 56 45.216 46.788 -1.572 1
1 671 . 3 1 1 A 56 56 GLY N N 56 112.118 110.641 1.477 1
1 672 . 3 1 1 A 57 57 TYR H H 57 8.051 8.491 -0.440 1
1 673 . 3 1 1 A 57 57 TYR HA H 57 4.402 4.569 -0.167 1
1 680 . 3 1 1 A 57 57 TYR C C 57 176.557 176.052 0.505 1
1 681 . 3 1 1 A 57 57 TYR CA C 57 58.251 58.890 -0.639 1
1 682 . 3 1 1 A 57 57 TYR CB C 57 38.935 38.743 0.192 1
1 683 . 3 1 1 A 57 57 TYR N N 57 120.259 119.705 0.554 1
1 684 . 3 1 1 A 58 58 GLY H H 58 8.335 7.498 0.837 1
1 685 . 3 1 1 A 58 58 GLY HA2 H 58 3.801 4.131 -0.330 1
1 686 . 3 1 1 A 58 58 GLY HA3 H 58 3.801 4.178 -0.377 1
1 687 . 3 1 1 A 58 58 GLY C C 58 173.911 175.008 -1.097 1
1 688 . 3 1 1 A 58 58 GLY CA C 58 45.311 46.409 -1.098 1
1 689 . 3 1 1 A 58 58 GLY N N 58 110.220 108.283 1.937 1
1 690 . 3 1 1 A 59 59 ASP H H 59 8.161 8.175 -0.014 1
1 691 . 3 1 1 A 59 59 ASP HA H 59 4.581 4.473 0.108 1
1 694 . 3 1 1 A 59 59 ASP C C 59 175.189 175.774 -0.585 1
1 695 . 3 1 1 A 59 59 ASP CA C 59 53.570 56.799 -3.229 1
1 696 . 3 1 1 A 59 59 ASP CB C 59 38.750 42.269 -3.519 1
1 697 . 3 1 1 A 59 59 ASP N N 59 118.765 121.678 -2.913 1
1 698 . 3 1 1 A 60 60 ARG H H 60 8.086 7.982 0.104 1
1 699 . 3 1 1 A 60 60 ARG HA H 60 4.152 4.712 -0.560 1
1 711 . 3 1 1 A 60 60 ARG C C 60 176.603 174.503 2.100 1
1 712 . 3 1 1 A 60 60 ARG CA C 60 56.825 54.285 2.540 1
1 713 . 3 1 1 A 60 60 ARG CB C 60 30.935 34.737 -3.802 1
1 716 . 3 1 1 A 60 60 ARG N N 60 120.762 117.245 3.517 1
1 718 . 3 1 1 A 61 61 TYR H H 61 8.117 8.494 -0.377 1
1 719 . 3 1 1 A 61 61 TYR HA H 61 4.488 5.423 -0.935 1
1 726 . 3 1 1 A 61 61 TYR CA C 61 56.688 55.605 1.083 1
1 727 . 3 1 1 A 61 61 TYR CB C 61 39.582 41.456 -1.874 1
1 728 . 3 1 1 A 61 61 TYR N N 61 121.714 118.437 3.277 1
1 729 . 3 1 1 A 62 62 PRO HA H 62 4.383 4.760 -0.377 1
1 736 . 3 1 1 A 62 62 PRO C C 62 177.441 176.363 1.078 1
1 737 . 3 1 1 A 62 62 PRO CA C 62 63.212 62.173 1.039 1
1 738 . 3 1 1 A 62 62 PRO CB C 62 31.939 33.187 -1.248 1
1 741 . 3 1 1 A 63 63 VAL H H 63 8.217 8.567 -0.350 1
1 742 . 3 1 1 A 63 63 VAL HA H 63 4.164 4.683 -0.519 1
1 750 . 3 1 1 A 63 63 VAL C C 63 176.576 176.209 0.367 1
1 751 . 3 1 1 A 63 63 VAL CA C 63 62.382 60.083 2.299 1
1 752 . 3 1 1 A 63 63 VAL CB C 63 32.862 33.217 -0.355 1
1 755 . 3 1 1 A 63 63 VAL N N 63 120.316 117.682 2.634 1
1 756 . 3 1 1 A 64 64 THR H H 64 8.084 8.644 -0.560 1
1 757 . 3 1 1 A 64 64 THR HA H 64 4.313 4.172 0.141 1
1 762 . 3 1 1 A 64 64 THR C C 64 174.558 176.359 -1.801 1
1 763 . 3 1 1 A 64 64 THR CA C 64 62.606 64.282 -1.676 1
1 764 . 3 1 1 A 64 64 THR CB C 64 70.496 69.147 1.349 1
1 766 . 3 1 1 A 64 64 THR N N 64 116.779 114.642 2.137 1
1 767 . 3 1 1 A 65 65 GLU H H 65 8.404 8.472 -0.068 1
1 768 . 3 1 1 A 65 65 GLU HA H 65 4.314 4.060 0.254 1
1 773 . 3 1 1 A 65 65 GLU C C 65 175.016 179.027 -4.011 1
1 774 . 3 1 1 A 65 65 GLU CA C 65 57.750 58.829 -1.079 1
1 775 . 3 1 1 A 65 65 GLU CB C 65 30.083 29.306 0.777 1
1 777 . 3 1 1 A 65 65 GLU N N 65 122.323 121.969 0.354 1
1 778 . 3 1 1 A 66 66 GLU H H 66 8.397 7.923 0.474 1
1 779 . 3 1 1 A 66 66 GLU HA H 66 4.224 4.177 0.047 1
1 784 . 3 1 1 A 66 66 GLU C C 66 176.855 177.495 -0.640 1
1 785 . 3 1 1 A 66 66 GLU CA C 66 58.023 56.581 1.442 1
1 786 . 3 1 1 A 66 66 GLU CB C 66 29.857 29.719 0.138 1
1 788 . 3 1 1 A 66 66 GLU N N 66 122.201 116.225 5.976 1
1 789 . 3 1 1 A 67 67 GLY H H 67 8.376 8.026 0.350 1
1 790 . 3 1 1 A 67 67 GLY HA2 H 67 3.834 3.958 -0.124 1
1 791 . 3 1 1 A 67 67 GLY HA3 H 67 3.834 3.960 -0.126 1
1 792 . 3 1 1 A 67 67 GLY C C 67 173.071 175.529 -2.458 1
1 793 . 3 1 1 A 67 67 GLY CA C 67 45.871 46.233 -0.362 1
1 794 . 3 1 1 A 67 67 GLY N N 67 109.499 107.859 1.640 1
1 795 . 3 1 1 A 68 68 ARG H H 68 8.011 8.241 -0.230 1
1 796 . 3 1 1 A 68 68 ARG HA H 68 4.482 4.128 0.354 1
1 808 . 3 1 1 A 68 68 ARG C C 68 177.494 177.720 -0.226 1
1 809 . 3 1 1 A 68 68 ARG CA C 68 57.574 58.432 -0.858 1
1 810 . 3 1 1 A 68 68 ARG CB C 68 30.325 29.693 0.632 1
1 813 . 3 1 1 A 68 68 ARG N N 68 122.501 121.396 1.105 1
1 815 . 3 1 1 A 69 69 LYS H H 69 7.986 7.968 0.018 1
1 816 . 3 1 1 A 69 69 LYS HA H 69 4.150 4.129 0.021 1
1 825 . 3 1 1 A 69 69 LYS C C 69 178.168 178.957 -0.789 1
1 826 . 3 1 1 A 69 69 LYS CA C 69 57.781 58.070 -0.289 1
1 827 . 3 1 1 A 69 69 LYS CB C 69 32.705 32.447 0.258 1
1 831 . 3 1 1 A 69 69 LYS N N 69 120.934 118.619 2.315 1
1 832 . 3 1 1 A 70 70 VAL H H 70 7.848 8.557 -0.709 1
1 833 . 3 1 1 A 70 70 VAL HA H 70 4.088 3.681 0.407 1
1 841 . 3 1 1 A 70 70 VAL C C 70 175.998 177.892 -1.894 1
1 842 . 3 1 1 A 70 70 VAL CA C 70 64.206 66.408 -2.202 1
1 843 . 3 1 1 A 70 70 VAL CB C 70 31.873 31.718 0.155 1
1 846 . 3 1 1 A 70 70 VAL N N 70 120.324 119.857 0.467 1
1 847 . 3 1 1 A 71 71 ALA H H 71 8.300 7.891 0.409 1
1 848 . 3 1 1 A 71 71 ALA HA H 71 4.221 4.172 0.049 1
1 852 . 3 1 1 A 71 71 ALA C C 71 178.225 179.448 -1.223 1
1 853 . 3 1 1 A 71 71 ALA CA C 71 53.106 55.584 -2.478 1
1 854 . 3 1 1 A 71 71 ALA CB C 71 19.128 18.216 0.912 1
1 855 . 3 1 1 A 71 71 ALA N N 71 127.025 122.203 4.822 1
1 856 . 3 1 1 A 72 72 GLU H H 72 8.181 8.023 0.158 1
1 857 . 3 1 1 A 72 72 GLU HA H 72 4.219 4.025 0.194 1
1 862 . 3 1 1 A 72 72 GLU C C 72 176.779 179.171 -2.392 1
1 863 . 3 1 1 A 72 72 GLU CA C 72 56.776 59.656 -2.880 1
1 864 . 3 1 1 A 72 72 GLU CB C 72 28.610 29.063 -0.453 1
1 866 . 3 1 1 A 72 72 GLU N N 72 123.008 118.359 4.649 1
1 867 . 3 1 1 A 73 73 GLN H H 73 8.132 7.941 0.191 1
1 868 . 3 1 1 A 73 73 GLN HA H 73 4.141 4.162 -0.021 1
1 875 . 3 1 1 A 73 73 GLN C C 73 175.803 178.620 -2.817 1
1 876 . 3 1 1 A 73 73 GLN CA C 73 56.456 58.567 -2.111 1
1 877 . 3 1 1 A 73 73 GLN CB C 73 28.290 28.124 0.166 1
1 879 . 3 1 1 A 73 73 GLN N N 73 120.564 119.378 1.186 1
1 881 . 3 1 1 A 74 74 VAL H H 74 8.088 7.644 0.444 1
1 882 . 3 1 1 A 74 74 VAL HA H 74 3.986 3.528 0.458 1
1 890 . 3 1 1 A 74 74 VAL C C 74 176.167 177.882 -1.715 1
1 891 . 3 1 1 A 74 74 VAL CA C 74 63.123 66.392 -3.269 1
1 892 . 3 1 1 A 74 74 VAL CB C 74 30.082 31.462 -1.380 1
1 895 . 3 1 1 A 74 74 VAL N N 74 121.828 119.990 1.838 1
1 896 . 3 1 1 A 75 75 MET H H 75 8.167 8.053 0.114 1
1 897 . 3 1 1 A 75 75 MET HA H 75 4.093 4.059 0.034 1
1 903 . 3 1 1 A 75 75 MET C C 75 176.455 178.546 -2.091 1
1 904 . 3 1 1 A 75 75 MET N N 75 123.990 117.087 6.903 1
1 905 . 3 1 1 A 76 76 LYS H H 76 8.287 8.013 0.274 1
1 906 . 3 1 1 A 76 76 LYS HA H 76 4.234 4.035 0.199 1
1 915 . 3 1 1 A 76 76 LYS C C 76 176.220 178.487 -2.267 1
1 916 . 3 1 1 A 76 76 LYS CA C 76 56.765 58.847 -2.082 1
1 917 . 3 1 1 A 76 76 LYS CB C 76 33.055 32.358 0.697 1
1 921 . 3 1 1 A 76 76 LYS N N 76 122.725 120.064 2.661 1
1 922 . 3 1 1 A 77 77 ALA H H 77 8.308 8.201 0.107 1
1 923 . 3 1 1 A 77 77 ALA HA H 77 4.213 4.056 0.157 1
1 927 . 3 1 1 A 77 77 ALA C C 77 178.097 179.897 -1.800 1
1 928 . 3 1 1 A 77 77 ALA CA C 77 52.740 55.029 -2.289 1
1 929 . 3 1 1 A 77 77 ALA CB C 77 19.427 18.471 0.956 1
1 930 . 3 1 1 A 77 77 ALA N N 77 125.316 121.719 3.597 1
1 931 . 3 1 1 A 78 78 GLY H H 78 8.284 8.283 0.001 1
1 932 . 3 1 1 A 78 78 GLY HA2 H 78 3.873 3.696 0.177 1
1 933 . 3 1 1 A 78 78 GLY HA3 H 78 3.873 3.812 0.061 1
1 934 . 3 1 1 A 78 78 GLY C C 78 174.065 175.763 -1.698 1
1 935 . 3 1 1 A 78 78 GLY CA C 78 45.497 47.503 -2.006 1
1 936 . 3 1 1 A 78 78 GLY N N 78 107.778 106.017 1.761 1
1 937 . 3 1 1 A 79 79 ILE H H 79 7.882 8.397 -0.515 1
1 938 . 3 1 1 A 79 79 ILE HA H 79 4.119 4.016 0.103 1
1 948 . 3 1 1 A 79 79 ILE C C 79 176.160 178.746 -2.586 1
1 949 . 3 1 1 A 79 79 ILE CA C 79 61.436 64.192 -2.756 1
1 950 . 3 1 1 A 79 79 ILE CB C 79 38.904 37.265 1.639 1
1 954 . 3 1 1 A 79 79 ILE N N 79 119.794 122.560 -2.766 1
1 955 . 3 1 1 A 80 80 GLU H H 80 8.354 8.027 0.327 1
1 956 . 3 1 1 A 80 80 GLU HA H 80 4.282 4.020 0.262 1
1 961 . 3 1 1 A 80 80 GLU C C 80 176.174 179.682 -3.508 1
1 962 . 3 1 1 A 80 80 GLU CA C 80 57.178 59.311 -2.133 1
1 963 . 3 1 1 A 80 80 GLU CB C 80 30.019 29.436 0.583 1
1 965 . 3 1 1 A 80 80 GLU N N 80 124.311 119.298 5.013 1
1 966 . 3 1 1 A 81 81 VAL H H 81 8.205 7.630 0.575 1
1 967 . 3 1 1 A 81 81 VAL HA H 81 3.985 3.510 0.475 1
1 975 . 3 1 1 A 81 81 VAL C C 81 175.815 178.060 -2.245 1
1 976 . 3 1 1 A 81 81 VAL CA C 81 62.865 66.452 -3.587 1
1 977 . 3 1 1 A 81 81 VAL CB C 81 32.629 31.597 1.032 1
1 980 . 3 1 1 A 81 81 VAL N N 81 121.106 120.887 0.219 1
1 981 . 3 1 1 A 82 82 PHE H H 82 8.252 8.329 -0.077 1
1 982 . 3 1 1 A 82 82 PHE HA H 82 4.551 4.291 0.260 1
1 990 . 3 1 1 A 82 82 PHE C C 82 175.631 178.502 -2.871 1
1 991 . 3 1 1 A 82 82 PHE CA C 82 58.206 60.368 -2.162 1
1 992 . 3 1 1 A 82 82 PHE CB C 82 39.431 37.739 1.692 1
1 993 . 3 1 1 A 82 82 PHE N N 82 123.622 118.675 4.947 1
1 994 . 3 1 1 A 83 83 ALA H H 83 8.184 8.796 -0.612 1
1 995 . 3 1 1 A 83 83 ALA HA H 83 4.230 4.161 0.069 1
1 999 . 3 1 1 A 83 83 ALA C C 83 178.025 180.083 -2.058 1
1 1000 . 3 1 1 A 83 83 ALA CA C 83 52.731 55.160 -2.429 1
1 1001 . 3 1 1 A 83 83 ALA CB C 83 19.359 18.097 1.262 1
1 1002 . 3 1 1 A 83 83 ALA N N 83 125.081 122.901 2.180 1
1 1003 . 3 1 1 A 84 84 LEU H H 84 8.104 7.967 0.137 1
1 1004 . 3 1 1 A 84 84 LEU HA H 84 4.167 4.091 0.076 1
1 1014 . 3 1 1 A 84 84 LEU C C 84 176.390 178.923 -2.533 1
1 1015 . 3 1 1 A 84 84 LEU CA C 84 55.786 57.534 -1.748 1
1 1016 . 3 1 1 A 84 84 LEU CB C 84 42.179 41.337 0.842 1
1 1020 . 3 1 1 A 84 84 LEU N N 84 119.064 120.623 -1.559 1
1 1021 . 3 1 1 A 85 85 VAL H H 85 8.155 7.953 0.202 1
1 1022 . 3 1 1 A 85 85 VAL HA H 85 4.073 3.868 0.205 1
1 1030 . 3 1 1 A 85 85 VAL C C 85 176.521 178.144 -1.623 1
1 1031 . 3 1 1 A 85 85 VAL CA C 85 62.762 65.811 -3.049 1
1 1032 . 3 1 1 A 85 85 VAL CB C 85 32.498 31.541 0.957 1
1 1035 . 3 1 1 A 85 85 VAL N N 85 121.743 118.219 3.524 1
1 1036 . 3 1 1 A 86 86 THR H H 86 8.052 7.846 0.206 1
1 1037 . 3 1 1 A 86 86 THR HA H 86 4.141 4.024 0.117 1
1 1042 . 3 1 1 A 86 86 THR C C 86 174.706 176.352 -1.646 1
1 1043 . 3 1 1 A 86 86 THR CA C 86 62.351 66.157 -3.806 1
1 1044 . 3 1 1 A 86 86 THR CB C 86 69.618 68.421 1.197 1
1 1046 . 3 1 1 A 86 86 THR N N 86 117.693 115.751 1.942 1
1 1047 . 3 1 1 A 87 87 ALA H H 87 8.216 8.119 0.097 1
1 1048 . 3 1 1 A 87 87 ALA HA H 87 4.170 4.087 0.083 1
1 1052 . 3 1 1 A 87 87 ALA C C 87 178.003 179.260 -1.257 1
1 1053 . 3 1 1 A 87 87 ALA CA C 87 52.967 54.729 -1.762 1
1 1054 . 3 1 1 A 87 87 ALA CB C 87 18.326 18.246 0.080 1
1 1055 . 3 1 1 A 87 87 ALA N N 87 126.174 123.173 3.001 1
1 1056 . 3 1 1 A 88 88 ALA H H 88 8.129 8.002 0.127 1
1 1057 . 3 1 1 A 88 88 ALA HA H 88 4.147 4.614 -0.467 1
1 1061 . 3 1 1 A 88 88 ALA C C 88 178.246 179.236 -0.990 1
1 1062 . 3 1 1 A 88 88 ALA CA C 88 52.961 54.104 -1.143 1
1 1063 . 3 1 1 A 88 88 ALA CB C 88 19.290 19.652 -0.362 1
1 1064 . 3 1 1 A 88 88 ALA N N 88 122.649 119.766 2.883 1
1 1065 . 3 1 1 A 89 89 LEU H H 89 7.992 8.005 -0.013 1
1 1066 . 3 1 1 A 89 89 LEU HA H 89 4.153 4.069 0.084 1
1 1076 . 3 1 1 A 89 89 LEU C C 89 176.375 179.271 -2.896 1
1 1077 . 3 1 1 A 89 89 LEU CA C 89 57.099 58.029 -0.930 1
1 1078 . 3 1 1 A 89 89 LEU CB C 89 42.055 41.355 0.700 1
1 1082 . 3 1 1 A 89 89 LEU N N 89 120.616 119.332 1.284 1
1 1083 . 3 1 1 A 90 90 ALA H H 90 8.168 8.228 -0.060 1
1 1084 . 3 1 1 A 90 90 ALA HA H 90 4.218 4.339 -0.121 1
1 1088 . 3 1 1 A 90 90 ALA C C 90 178.487 179.772 -1.285 1
1 1089 . 3 1 1 A 90 90 ALA CA C 90 53.043 54.827 -1.784 1
1 1090 . 3 1 1 A 90 90 ALA CB C 90 19.269 18.264 1.005 1
1 1091 . 3 1 1 A 90 90 ALA N N 90 124.243 121.813 2.430 1
1 1092 . 3 1 1 A 91 91 THR H H 91 7.988 8.042 -0.054 1
1 1093 . 3 1 1 A 91 91 THR HA H 91 4.181 3.924 0.257 1
1 1098 . 3 1 1 A 91 91 THR C C 91 174.931 176.126 -1.195 1
1 1099 . 3 1 1 A 91 91 THR CA C 91 62.190 64.448 -2.258 1
1 1100 . 3 1 1 A 91 91 THR CB C 91 69.198 68.057 1.141 1
1 1102 . 3 1 1 A 91 91 THR N N 91 112.659 111.424 1.235 1
1 1103 . 3 1 1 A 92 92 ASP H H 92 8.254 8.040 0.214 1
1 1104 . 3 1 1 A 92 92 ASP HA H 92 4.541 4.339 0.202 1
1 1107 . 3 1 1 A 92 92 ASP C C 92 175.823 177.804 -1.981 1
1 1108 . 3 1 1 A 92 92 ASP CA C 92 53.570 57.150 -3.580 1
1 1109 . 3 1 1 A 92 92 ASP CB C 92 38.750 40.839 -2.089 1
1 1110 . 3 1 1 A 92 92 ASP N N 92 120.688 122.799 -2.111 1
1 1111 . 3 1 1 A 93 93 PHE H H 93 8.048 8.183 -0.135 1
1 1112 . 3 1 1 A 93 93 PHE HA H 93 4.547 4.474 0.073 1
1 1120 . 3 1 1 A 93 93 PHE C C 93 176.384 177.042 -0.658 1
1 1121 . 3 1 1 A 93 93 PHE CA C 93 58.633 58.695 -0.062 1
1 1122 . 3 1 1 A 93 93 PHE CB C 93 39.451 37.649 1.802 1
1 1123 . 3 1 1 A 93 93 PHE N N 93 120.763 117.742 3.021 1
1 1124 . 3 1 1 A 94 94 VAL H H 94 7.904 7.258 0.646 1
1 1125 . 3 1 1 A 94 94 VAL HA H 94 4.364 3.364 1.000 1
1 1133 . 3 1 1 A 94 94 VAL C C 94 176.851 177.814 -0.963 1
1 1134 . 3 1 1 A 94 94 VAL CA C 94 63.297 65.898 -2.601 1
1 1135 . 3 1 1 A 94 94 VAL CB C 94 29.241 30.838 -1.597 1
1 1138 . 3 1 1 A 94 94 VAL N N 94 121.478 120.470 1.008 1
1 1139 . 3 1 1 A 95 95 ARG H H 95 8.146 7.845 0.301 1
1 1140 . 3 1 1 A 95 95 ARG HA H 95 4.134 3.952 0.182 1
1 1152 . 3 1 1 A 95 95 ARG C C 95 177.395 178.933 -1.538 1
1 1153 . 3 1 1 A 95 95 ARG CA C 95 55.978 59.553 -3.575 1
1 1154 . 3 1 1 A 95 95 ARG CB C 95 31.070 29.903 1.167 1
1 1157 . 3 1 1 A 95 95 ARG N N 95 122.920 119.692 3.228 1
1 1159 . 3 1 1 A 96 96 ARG H H 96 8.313 8.065 0.248 1
1 1160 . 3 1 1 A 96 96 ARG HA H 96 4.180 4.119 0.061 1
1 1172 . 3 1 1 A 96 96 ARG C C 96 176.839 178.492 -1.653 1
1 1173 . 3 1 1 A 96 96 ARG CA C 96 56.831 58.317 -1.486 1
1 1174 . 3 1 1 A 96 96 ARG CB C 96 30.952 29.350 1.602 1
1 1177 . 3 1 1 A 96 96 ARG N N 96 121.064 118.056 3.008 1
1 1179 . 3 1 1 A 97 97 GLU H H 97 8.356 7.641 0.715 1
1 1180 . 3 1 1 A 97 97 GLU HA H 97 4.220 4.146 0.074 1
1 1185 . 3 1 1 A 97 97 GLU C C 97 176.319 176.924 -0.605 1
1 1186 . 3 1 1 A 97 97 GLU CA C 97 57.408 58.881 -1.473 1
1 1187 . 3 1 1 A 97 97 GLU CB C 97 28.610 29.346 -0.736 1
1 1189 . 3 1 1 A 97 97 GLU N N 97 121.754 119.444 2.310 1
1 1190 . 3 1 1 A 98 98 GLU H H 98 8.328 7.640 0.688 1
1 1191 . 3 1 1 A 98 98 GLU HA H 98 4.240 4.674 -0.434 1
1 1196 . 3 1 1 A 98 98 GLU C C 98 176.132 176.668 -0.536 1
1 1197 . 3 1 1 A 98 98 GLU CA C 98 57.666 55.204 2.462 1
1 1198 . 3 1 1 A 98 98 GLU CB C 98 30.045 31.251 -1.206 1
1 1200 . 3 1 1 A 98 98 GLU N N 98 121.414 119.031 2.383 1
1 1201 . 3 1 1 A 99 99 GLU H H 99 8.418 8.980 -0.562 1
1 1202 . 3 1 1 A 99 99 GLU HA H 99 4.299 4.154 0.145 1
1 1207 . 3 1 1 A 99 99 GLU C C 99 177.021 177.133 -0.112 1
1 1208 . 3 1 1 A 99 99 GLU CA C 99 57.397 59.048 -1.651 1
1 1209 . 3 1 1 A 99 99 GLU CB C 99 30.309 29.258 1.051 1
1 1211 . 3 1 1 A 99 99 GLU N N 99 121.312 121.261 0.051 1
1 1212 . 3 1 1 A 100 100 ARG H H 100 8.013 8.782 -0.769 1
1 1213 . 3 1 1 A 100 100 ARG HA H 100 4.180 4.056 0.124 1
1 1225 . 3 1 1 A 100 100 ARG C C 100 176.313 177.732 -1.419 1
1 1226 . 3 1 1 A 100 100 ARG CA C 100 57.238 59.406 -2.168 1
1 1227 . 3 1 1 A 100 100 ARG CB C 100 30.298 29.998 0.300 1
1 1230 . 3 1 1 A 100 100 ARG N N 100 121.871 119.215 2.656 1
1 1232 . 3 1 1 A 101 101 ARG H H 101 8.260 7.786 0.474 1
1 1233 . 3 1 1 A 101 101 ARG HA H 101 4.260 4.418 -0.158 1
1 1245 . 3 1 1 A 101 101 ARG C C 101 176.753 176.648 0.105 1
1 1246 . 3 1 1 A 101 101 ARG CA C 101 56.492 55.737 0.755 1
1 1247 . 3 1 1 A 101 101 ARG CB C 101 30.838 30.578 0.260 1
1 1250 . 3 1 1 A 101 101 ARG N N 101 122.019 115.776 6.243 1
1 1252 . 3 1 1 A 102 102 GLY H H 102 8.380 9.261 -0.881 1
1 1253 . 3 1 1 A 102 102 GLY HA2 H 102 3.849 3.598 0.251 1
1 1254 . 3 1 1 A 102 102 GLY HA3 H 102 3.849 3.679 0.170 1
1 1255 . 3 1 1 A 102 102 GLY C C 102 173.145 172.928 0.217 1
1 1256 . 3 1 1 A 102 102 GLY CA C 102 45.401 45.366 0.035 1
1 1257 . 3 1 1 A 102 102 GLY N N 102 110.110 107.727 2.383 1
1 9 . 4 1 1 A 2 2 ALA H H 2 8.742 7.840 0.902 1
1 10 . 4 1 1 A 2 2 ALA HA H 2 4.302 4.317 -0.015 1
1 14 . 4 1 1 A 2 2 ALA C C 2 177.216 177.503 -0.287 1
1 15 . 4 1 1 A 2 2 ALA CA C 2 52.876 53.469 -0.593 1
1 16 . 4 1 1 A 2 2 ALA CB C 2 19.182 18.650 0.532 1
1 17 . 4 1 1 A 2 2 ALA N N 2 124.657 122.869 1.788 1
1 18 . 4 1 1 A 3 3 ASP H H 3 8.432 7.734 0.698 1
1 19 . 4 1 1 A 3 3 ASP HA H 3 4.530 4.861 -0.331 1
1 22 . 4 1 1 A 3 3 ASP C C 3 176.023 177.583 -1.560 1
1 23 . 4 1 1 A 3 3 ASP CA C 3 53.721 55.575 -1.854 1
1 24 . 4 1 1 A 3 3 ASP CB C 3 38.752 42.131 -3.379 1
1 25 . 4 1 1 A 3 3 ASP N N 3 118.729 117.212 1.517 1
1 26 . 4 1 1 A 4 4 HIS H H 4 8.549 8.141 0.408 1
1 27 . 4 1 1 A 4 4 HIS HA H 4 4.568 4.361 0.207 1
1 32 . 4 1 1 A 4 4 HIS C C 4 175.101 176.978 -1.877 1
1 33 . 4 1 1 A 4 4 HIS CA C 4 56.640 58.931 -2.291 1
1 34 . 4 1 1 A 4 4 HIS CB C 4 28.961 28.607 0.354 1
1 37 . 4 1 1 A 4 4 HIS N N 4 119.650 117.571 2.079 1
1 38 . 4 1 1 A 5 5 GLU H H 5 8.330 8.153 0.177 1
1 39 . 4 1 1 A 5 5 GLU HA H 5 4.207 4.111 0.096 1
1 44 . 4 1 1 A 5 5 GLU C C 5 175.749 178.627 -2.878 1
1 45 . 4 1 1 A 5 5 GLU CA C 5 56.594 59.315 -2.721 1
1 46 . 4 1 1 A 5 5 GLU CB C 5 29.285 28.913 0.372 1
1 48 . 4 1 1 A 5 5 GLU N N 5 120.937 120.784 0.153 1
1 49 . 4 1 1 A 6 6 ARG H H 6 8.325 7.881 0.444 1
1 50 . 4 1 1 A 6 6 ARG HA H 6 4.571 4.023 0.548 1
1 62 . 4 1 1 A 6 6 ARG C C 6 177.578 178.680 -1.102 1
1 63 . 4 1 1 A 6 6 ARG CA C 6 56.716 59.485 -2.769 1
1 64 . 4 1 1 A 6 6 ARG CB C 6 30.744 29.709 1.035 1
1 67 . 4 1 1 A 6 6 ARG N N 6 120.267 119.849 0.418 1
1 69 . 4 1 1 A 7 7 GLU H H 7 8.136 8.200 -0.064 1
1 70 . 4 1 1 A 7 7 GLU HA H 7 4.165 4.097 0.068 1
1 75 . 4 1 1 A 7 7 GLU C C 7 177.156 178.583 -1.427 1
1 76 . 4 1 1 A 7 7 GLU CA C 7 57.125 59.319 -2.194 1
1 77 . 4 1 1 A 7 7 GLU CB C 7 30.149 29.297 0.852 1
1 79 . 4 1 1 A 7 7 GLU N N 7 121.008 119.141 1.867 1
1 80 . 4 1 1 A 8 8 ALA H H 8 8.325 8.128 0.197 1
1 81 . 4 1 1 A 8 8 ALA HA H 8 4.212 4.068 0.144 1
1 85 . 4 1 1 A 8 8 ALA C C 8 178.913 179.345 -0.432 1
1 86 . 4 1 1 A 8 8 ALA CA C 8 52.832 55.388 -2.556 1
1 87 . 4 1 1 A 8 8 ALA CB C 8 18.909 18.323 0.586 1
1 88 . 4 1 1 A 8 8 ALA N N 8 124.538 121.941 2.597 1
1 89 . 4 1 1 A 9 9 GLN H H 9 8.159 8.007 0.152 1
1 90 . 4 1 1 A 9 9 GLN HA H 9 4.140 4.018 0.122 1
1 97 . 4 1 1 A 9 9 GLN C C 9 175.771 177.996 -2.225 1
1 98 . 4 1 1 A 9 9 GLN CA C 9 57.655 59.038 -1.383 1
1 99 . 4 1 1 A 9 9 GLN CB C 9 28.606 28.540 0.066 1
1 101 . 4 1 1 A 9 9 GLN N N 9 124.103 117.988 6.115 1
1 103 . 4 1 1 A 10 10 LYS H H 10 8.148 7.842 0.306 1
1 104 . 4 1 1 A 10 10 LYS HA H 10 4.204 4.133 0.071 1
1 113 . 4 1 1 A 10 10 LYS C C 10 177.798 178.663 -0.865 1
1 114 . 4 1 1 A 10 10 LYS CA C 10 57.139 58.432 -1.293 1
1 115 . 4 1 1 A 10 10 LYS CB C 10 33.040 32.032 1.008 1
1 119 . 4 1 1 A 10 10 LYS N N 10 120.635 118.871 1.764 1
1 120 . 4 1 1 A 11 11 ALA H H 11 8.148 7.950 0.198 1
1 121 . 4 1 1 A 11 11 ALA HA H 11 4.140 4.016 0.124 1
1 125 . 4 1 1 A 11 11 ALA C C 11 178.173 179.996 -1.823 1
1 126 . 4 1 1 A 11 11 ALA CA C 11 53.351 55.091 -1.740 1
1 127 . 4 1 1 A 11 11 ALA CB C 11 19.128 18.023 1.105 1
1 128 . 4 1 1 A 11 11 ALA N N 11 123.171 122.026 1.145 1
1 129 . 4 1 1 A 12 12 GLU H H 12 8.248 7.794 0.454 1
1 130 . 4 1 1 A 12 12 GLU HA H 12 4.222 3.998 0.224 1
1 135 . 4 1 1 A 12 12 GLU C C 12 176.385 179.103 -2.718 1
1 136 . 4 1 1 A 12 12 GLU CA C 12 57.442 59.490 -2.048 1
1 137 . 4 1 1 A 12 12 GLU CB C 12 30.001 29.080 0.921 1
1 139 . 4 1 1 A 12 12 GLU N N 12 119.451 118.263 1.188 1
1 140 . 4 1 1 A 13 13 GLU H H 13 8.372 7.955 0.417 1
1 141 . 4 1 1 A 13 13 GLU HA H 13 4.265 4.077 0.188 1
1 146 . 4 1 1 A 13 13 GLU C C 13 178.060 179.101 -1.041 1
1 147 . 4 1 1 A 13 13 GLU CA C 13 56.828 59.295 -2.467 1
1 148 . 4 1 1 A 13 13 GLU CB C 13 30.082 29.306 0.776 1
1 150 . 4 1 1 A 13 13 GLU N N 13 121.080 120.208 0.872 1
1 151 . 4 1 1 A 14 14 GLU H H 14 8.152 7.644 0.508 1
1 152 . 4 1 1 A 14 14 GLU HA H 14 4.142 4.136 0.006 1
1 157 . 4 1 1 A 14 14 GLU C C 14 176.274 178.733 -2.459 1
1 158 . 4 1 1 A 14 14 GLU CA C 14 56.892 59.070 -2.178 1
1 159 . 4 1 1 A 14 14 GLU CB C 14 28.169 29.402 -1.233 1
1 161 . 4 1 1 A 14 14 GLU N N 14 120.236 119.915 0.321 1
1 162 . 4 1 1 A 15 15 LEU H H 15 8.301 7.763 0.538 1
1 163 . 4 1 1 A 15 15 LEU HA H 15 4.224 3.976 0.248 1
1 173 . 4 1 1 A 15 15 LEU C C 15 177.983 178.705 -0.722 1
1 174 . 4 1 1 A 15 15 LEU CA C 15 56.344 57.776 -1.432 1
1 175 . 4 1 1 A 15 15 LEU CB C 15 42.250 41.589 0.661 1
1 179 . 4 1 1 A 15 15 LEU N N 15 123.072 121.472 1.600 1
1 180 . 4 1 1 A 16 16 GLN H H 16 8.132 7.756 0.376 1
1 181 . 4 1 1 A 16 16 GLN HA H 16 4.145 3.987 0.158 1
1 188 . 4 1 1 A 16 16 GLN C C 16 177.674 178.996 -1.322 1
1 189 . 4 1 1 A 16 16 GLN CA C 16 57.971 59.200 -1.229 1
1 190 . 4 1 1 A 16 16 GLN CB C 16 29.889 28.060 1.829 1
1 192 . 4 1 1 A 16 16 GLN N N 16 119.160 117.744 1.416 1
1 194 . 4 1 1 A 17 17 LYS H H 17 8.214 7.356 0.858 1
1 195 . 4 1 1 A 17 17 LYS HA H 17 4.140 4.202 -0.062 1
1 204 . 4 1 1 A 17 17 LYS C C 17 177.646 179.002 -1.356 1
1 205 . 4 1 1 A 17 17 LYS CA C 17 57.115 58.809 -1.694 1
1 206 . 4 1 1 A 17 17 LYS CB C 17 32.833 32.380 0.453 1
1 210 . 4 1 1 A 17 17 LYS N N 17 120.310 121.393 -1.083 1
1 211 . 4 1 1 A 18 18 VAL H H 18 7.871 7.547 0.324 1
1 212 . 4 1 1 A 18 18 VAL HA H 18 4.108 3.558 0.550 1
1 220 . 4 1 1 A 18 18 VAL C C 18 177.476 178.023 -0.547 1
1 221 . 4 1 1 A 18 18 VAL CA C 18 63.634 66.215 -2.581 1
1 222 . 4 1 1 A 18 18 VAL CB C 18 31.886 31.434 0.452 1
1 225 . 4 1 1 A 18 18 VAL N N 18 120.571 120.905 -0.334 1
1 226 . 4 1 1 A 19 19 LEU H H 19 8.180 8.090 0.090 1
1 227 . 4 1 1 A 19 19 LEU HA H 19 4.042 4.011 0.031 1
1 237 . 4 1 1 A 19 19 LEU C C 19 179.462 179.258 0.204 1
1 238 . 4 1 1 A 19 19 LEU CA C 19 57.653 58.327 -0.674 1
1 239 . 4 1 1 A 19 19 LEU CB C 19 41.800 41.271 0.529 1
1 243 . 4 1 1 A 19 19 LEU N N 19 122.936 120.344 2.592 1
1 244 . 4 1 1 A 20 20 GLU H H 20 8.122 8.199 -0.077 1
1 245 . 4 1 1 A 20 20 GLU HA H 20 4.156 4.201 -0.045 1
1 250 . 4 1 1 A 20 20 GLU C C 20 178.001 179.294 -1.293 1
1 251 . 4 1 1 A 20 20 GLU CA C 20 58.045 59.269 -1.224 1
1 252 . 4 1 1 A 20 20 GLU CB C 20 30.092 29.184 0.908 1
1 254 . 4 1 1 A 20 20 GLU N N 20 118.745 117.821 0.924 1
1 255 . 4 1 1 A 21 21 GLU H H 21 8.190 7.586 0.604 1
1 256 . 4 1 1 A 21 21 GLU HA H 21 4.144 4.161 -0.017 1
1 261 . 4 1 1 A 21 21 GLU C C 21 177.290 178.722 -1.432 1
1 262 . 4 1 1 A 21 21 GLU CA C 21 58.109 59.060 -0.951 1
1 263 . 4 1 1 A 21 21 GLU CB C 21 29.868 29.238 0.630 1
1 265 . 4 1 1 A 21 21 GLU N N 21 119.542 120.417 -0.875 1
1 266 . 4 1 1 A 22 22 ALA H H 22 8.092 8.550 -0.458 1
1 267 . 4 1 1 A 22 22 ALA HA H 22 4.173 4.152 0.021 1
1 271 . 4 1 1 A 22 22 ALA C C 22 179.020 179.974 -0.954 1
1 272 . 4 1 1 A 22 22 ALA CA C 22 53.944 55.174 -1.230 1
1 273 . 4 1 1 A 22 22 ALA CB C 22 18.578 18.074 0.504 1
1 274 . 4 1 1 A 22 22 ALA N N 22 123.378 122.086 1.292 1
1 275 . 4 1 1 A 23 23 SER H H 23 8.079 8.167 -0.088 1
1 276 . 4 1 1 A 23 23 SER HA H 23 4.300 4.195 0.105 1
1 279 . 4 1 1 A 23 23 SER C C 23 173.125 176.685 -3.560 1
1 280 . 4 1 1 A 23 23 SER CA C 23 59.414 61.546 -2.132 1
1 281 . 4 1 1 A 23 23 SER CB C 23 63.520 62.562 0.958 1
1 282 . 4 1 1 A 23 23 SER N N 23 114.637 112.992 1.645 1
1 283 . 4 1 1 A 24 24 LYS H H 24 8.032 8.148 -0.116 1
1 284 . 4 1 1 A 24 24 LYS HA H 24 4.325 4.040 0.285 1
1 293 . 4 1 1 A 24 24 LYS C C 24 175.423 178.807 -3.384 1
1 294 . 4 1 1 A 24 24 LYS CA C 24 57.273 59.527 -2.254 1
1 295 . 4 1 1 A 24 24 LYS CB C 24 31.200 32.448 -1.248 1
1 299 . 4 1 1 A 24 24 LYS N N 24 122.635 121.903 0.732 1
1 300 . 4 1 1 A 25 25 LYS H H 25 8.042 8.223 -0.181 1
1 301 . 4 1 1 A 25 25 LYS HA H 25 4.169 4.036 0.133 1
1 310 . 4 1 1 A 25 25 LYS C C 25 177.025 178.983 -1.958 1
1 311 . 4 1 1 A 25 25 LYS CA C 25 56.876 59.682 -2.806 1
1 312 . 4 1 1 A 25 25 LYS CB C 25 31.200 32.433 -1.233 1
1 316 . 4 1 1 A 25 25 LYS N N 25 121.079 119.316 1.763 1
1 317 . 4 1 1 A 26 26 ALA H H 26 8.103 8.426 -0.323 1
1 318 . 4 1 1 A 26 26 ALA HA H 26 4.196 3.922 0.274 1
1 322 . 4 1 1 A 26 26 ALA C C 26 178.418 179.655 -1.237 1
1 323 . 4 1 1 A 26 26 ALA CA C 26 53.049 54.967 -1.918 1
1 324 . 4 1 1 A 26 26 ALA CB C 26 19.055 18.434 0.621 1
1 325 . 4 1 1 A 26 26 ALA N N 26 124.589 122.350 2.239 1
1 326 . 4 1 1 A 27 27 VAL H H 27 8.030 7.976 0.054 1
1 327 . 4 1 1 A 27 27 VAL HA H 27 3.945 3.145 0.800 1
1 335 . 4 1 1 A 27 27 VAL C C 27 179.177 177.558 1.619 1
1 336 . 4 1 1 A 27 27 VAL CA C 27 63.001 66.656 -3.655 1
1 337 . 4 1 1 A 27 27 VAL CB C 27 32.449 30.926 1.523 1
1 340 . 4 1 1 A 27 27 VAL N N 27 119.340 118.313 1.027 1
1 341 . 4 1 1 A 28 28 GLU H H 28 8.187 7.783 0.404 1
1 342 . 4 1 1 A 28 28 GLU HA H 28 4.166 3.994 0.172 1
1 347 . 4 1 1 A 28 28 GLU C C 28 176.411 179.275 -2.864 1
1 348 . 4 1 1 A 28 28 GLU CA C 28 57.290 59.088 -1.798 1
1 349 . 4 1 1 A 28 28 GLU CB C 28 30.025 28.390 1.635 1
1 351 . 4 1 1 A 28 28 GLU N N 28 120.351 119.527 0.824 1
1 352 . 4 1 1 A 29 29 ALA H H 29 8.173 8.239 -0.066 1
1 353 . 4 1 1 A 29 29 ALA HA H 29 4.230 4.021 0.209 1
1 357 . 4 1 1 A 29 29 ALA C C 29 176.924 179.302 -2.378 1
1 358 . 4 1 1 A 29 29 ALA CA C 29 53.338 55.239 -1.901 1
1 359 . 4 1 1 A 29 29 ALA CB C 29 18.964 18.155 0.809 1
1 360 . 4 1 1 A 29 29 ALA N N 29 124.463 122.989 1.474 1
1 361 . 4 1 1 A 30 30 GLU H H 30 8.239 8.283 -0.044 1
1 362 . 4 1 1 A 30 30 GLU HA H 30 4.251 3.954 0.297 1
1 367 . 4 1 1 A 30 30 GLU C C 30 175.016 177.243 -2.227 1
1 368 . 4 1 1 A 30 30 GLU CA C 30 58.033 58.828 -0.795 1
1 369 . 4 1 1 A 30 30 GLU CB C 30 29.996 29.077 0.919 1
1 371 . 4 1 1 A 30 30 GLU N N 30 122.971 118.415 4.556 1
1 372 . 4 1 1 A 31 31 ARG H H 31 8.261 7.697 0.564 1
1 373 . 4 1 1 A 31 31 ARG HA H 31 4.255 3.928 0.327 1
1 385 . 4 1 1 A 31 31 ARG C C 31 176.727 176.799 -0.072 1
1 386 . 4 1 1 A 31 31 ARG CA C 31 56.565 58.116 -1.551 1
1 387 . 4 1 1 A 31 31 ARG CB C 31 30.783 29.802 0.981 1
1 390 . 4 1 1 A 31 31 ARG N N 31 121.894 119.910 1.984 1
1 392 . 4 1 1 A 32 32 GLY H H 32 8.302 8.900 -0.598 1
1 393 . 4 1 1 A 32 32 GLY HA2 H 32 3.852 3.993 -0.141 1
1 394 . 4 1 1 A 32 32 GLY HA3 H 32 3.852 3.994 -0.142 1
1 395 . 4 1 1 A 32 32 GLY C C 32 173.994 174.617 -0.623 1
1 396 . 4 1 1 A 32 32 GLY CA C 32 45.077 45.042 0.035 1
1 397 . 4 1 1 A 32 32 GLY N N 32 109.773 114.645 -4.872 1
1 398 . 4 1 1 A 33 33 ALA H H 33 8.011 7.951 0.060 1
1 399 . 4 1 1 A 33 33 ALA HA H 33 4.212 4.478 -0.266 1
1 403 . 4 1 1 A 33 33 ALA CA C 33 50.522 50.806 -0.284 1
1 404 . 4 1 1 A 33 33 ALA CB C 33 18.962 19.564 -0.602 1
1 405 . 4 1 1 A 33 33 ALA N N 33 123.601 123.975 -0.374 1
1 406 . 4 1 1 A 34 34 PRO HA H 34 4.352 4.279 0.073 1
1 413 . 4 1 1 A 34 34 PRO C C 34 177.746 177.363 0.383 1
1 414 . 4 1 1 A 34 34 PRO CA C 34 63.520 63.608 -0.088 1
1 415 . 4 1 1 A 34 34 PRO CB C 34 31.938 31.958 -0.020 1
1 418 . 4 1 1 A 35 35 GLY H H 35 8.433 8.851 -0.418 1
1 419 . 4 1 1 A 35 35 GLY HA2 H 35 3.848 3.940 -0.092 1
1 420 . 4 1 1 A 35 35 GLY HA3 H 35 3.848 3.946 -0.098 1
1 421 . 4 1 1 A 35 35 GLY C C 35 173.266 174.620 -1.354 1
1 422 . 4 1 1 A 35 35 GLY CA C 35 45.405 45.242 0.163 1
1 423 . 4 1 1 A 35 35 GLY N N 35 109.298 111.784 -2.486 1
1 424 . 4 1 1 A 36 36 ALA H H 36 8.095 7.780 0.315 1
1 425 . 4 1 1 A 36 36 ALA HA H 36 4.196 4.130 0.066 1
1 429 . 4 1 1 A 36 36 ALA C C 36 177.944 177.223 0.721 1
1 430 . 4 1 1 A 36 36 ALA CA C 36 52.551 52.503 0.048 1
1 431 . 4 1 1 A 36 36 ALA CB C 36 19.485 19.720 -0.235 1
1 432 . 4 1 1 A 36 36 ALA N N 36 124.605 123.017 1.588 1
1 433 . 4 1 1 A 37 37 ALA H H 37 8.199 8.819 -0.620 1
1 434 . 4 1 1 A 37 37 ALA HA H 37 4.491 4.424 0.067 1
1 438 . 4 1 1 A 37 37 ALA C C 37 177.456 176.982 0.474 1
1 439 . 4 1 1 A 37 37 ALA CA C 37 52.453 52.482 -0.029 1
1 440 . 4 1 1 A 37 37 ALA CB C 37 19.060 21.409 -2.349 1
1 441 . 4 1 1 A 37 37 ALA N N 37 123.695 123.598 0.097 1
1 442 . 4 1 1 A 38 38 LEU H H 38 8.099 7.988 0.111 1
1 443 . 4 1 1 A 38 38 LEU HA H 38 4.243 4.154 0.089 1
1 453 . 4 1 1 A 38 38 LEU C C 38 177.358 175.613 1.745 1
1 454 . 4 1 1 A 38 38 LEU CA C 38 55.218 53.600 1.618 1
1 455 . 4 1 1 A 38 38 LEU CB C 38 42.228 40.110 2.118 1
1 459 . 4 1 1 A 38 38 LEU N N 38 121.531 118.585 2.946 1
1 460 . 4 1 1 A 39 39 ILE H H 39 7.966 7.941 0.025 1
1 461 . 4 1 1 A 39 39 ILE HA H 39 4.136 4.481 -0.345 1
1 471 . 4 1 1 A 39 39 ILE C C 39 175.586 174.406 1.180 1
1 472 . 4 1 1 A 39 39 ILE CA C 39 60.873 60.050 0.823 1
1 473 . 4 1 1 A 39 39 ILE CB C 39 38.727 37.291 1.436 1
1 477 . 4 1 1 A 39 39 ILE N N 39 121.669 125.594 -3.925 1
1 478 . 4 1 1 A 40 40 SER H H 40 8.101 7.937 0.164 1
1 479 . 4 1 1 A 40 40 SER HA H 40 4.347 4.912 -0.565 1
1 482 . 4 1 1 A 40 40 SER C C 40 173.336 173.636 -0.300 1
1 483 . 4 1 1 A 40 40 SER CA C 40 57.331 57.288 0.043 1
1 484 . 4 1 1 A 40 40 SER CB C 40 63.983 65.186 -1.203 1
1 485 . 4 1 1 A 40 40 SER N N 40 119.591 122.476 -2.885 1
1 486 . 4 1 1 A 41 41 TYR H H 41 8.100 9.542 -1.442 1
1 487 . 4 1 1 A 41 41 TYR HA H 41 4.436 4.274 0.162 1
1 494 . 4 1 1 A 41 41 TYR CA C 41 56.067 61.247 -5.180 1
1 495 . 4 1 1 A 41 41 TYR CB C 41 38.244 37.509 0.735 1
1 496 . 4 1 1 A 41 41 TYR N N 41 122.744 126.196 -3.452 1
1 497 . 4 1 1 A 42 42 PRO HA H 42 4.281 4.385 -0.104 1
1 504 . 4 1 1 A 42 42 PRO C C 42 176.765 177.342 -0.577 1
1 505 . 4 1 1 A 42 42 PRO CA C 42 63.650 65.329 -1.679 1
1 506 . 4 1 1 A 42 42 PRO CB C 42 30.513 31.195 -0.682 1
1 509 . 4 1 1 A 43 43 ASP H H 43 8.305 8.604 -0.299 1
1 510 . 4 1 1 A 43 43 ASP HA H 43 4.548 4.634 -0.086 1
1 513 . 4 1 1 A 43 43 ASP C C 43 175.135 178.210 -3.075 1
1 514 . 4 1 1 A 43 43 ASP CA C 43 53.570 54.154 -0.584 1
1 515 . 4 1 1 A 43 43 ASP CB C 43 38.450 40.916 -2.466 1
1 516 . 4 1 1 A 43 43 ASP N N 43 118.052 115.974 2.078 1
1 517 . 4 1 1 A 44 44 ALA H H 44 8.013 7.763 0.250 1
1 518 . 4 1 1 A 44 44 ALA HA H 44 4.106 4.137 -0.031 1
1 522 . 4 1 1 A 44 44 ALA C C 44 177.969 180.560 -2.591 1
1 523 . 4 1 1 A 44 44 ALA CA C 44 52.867 54.873 -2.006 1
1 524 . 4 1 1 A 44 44 ALA CB C 44 19.023 18.351 0.672 1
1 525 . 4 1 1 A 44 44 ALA N N 44 123.344 123.384 -0.040 1
1 526 . 4 1 1 A 45 45 ILE H H 45 7.860 8.000 -0.140 1
1 527 . 4 1 1 A 45 45 ILE HA H 45 3.855 4.010 -0.155 1
1 537 . 4 1 1 A 45 45 ILE C C 45 176.287 177.646 -1.359 1
1 538 . 4 1 1 A 45 45 ILE CA C 45 61.465 63.984 -2.519 1
1 539 . 4 1 1 A 45 45 ILE CB C 45 38.294 37.966 0.328 1
1 543 . 4 1 1 A 45 45 ILE N N 45 118.636 119.517 -0.881 1
1 544 . 4 1 1 A 46 46 TRP H H 46 7.646 8.304 -0.658 1
1 545 . 4 1 1 A 46 46 TRP HA H 46 4.504 4.281 0.223 1
1 554 . 4 1 1 A 46 46 TRP C C 46 176.136 179.060 -2.924 1
1 555 . 4 1 1 A 46 46 TRP CA C 46 57.139 60.531 -3.392 1
1 556 . 4 1 1 A 46 46 TRP CB C 46 28.880 29.712 -0.832 1
1 558 . 4 1 1 A 46 46 TRP N N 46 122.947 122.369 0.578 1
1 560 . 4 1 1 A 47 47 TRP H H 47 7.502 8.000 -0.498 1
1 561 . 4 1 1 A 47 47 TRP HA H 47 4.482 4.338 0.144 1
1 570 . 4 1 1 A 47 47 TRP C C 47 176.149 178.386 -2.237 1
1 571 . 4 1 1 A 47 47 TRP CA C 47 57.197 61.055 -3.858 1
1 572 . 4 1 1 A 47 47 TRP CB C 47 29.703 29.509 0.194 1
1 573 . 4 1 1 A 47 47 TRP N N 47 120.943 121.735 -0.792 1
1 575 . 4 1 1 A 48 48 SER H H 48 7.861 8.358 -0.497 1
1 576 . 4 1 1 A 48 48 SER HA H 48 4.258 4.026 0.232 1
1 579 . 4 1 1 A 48 48 SER C C 48 174.600 177.399 -2.799 1
1 580 . 4 1 1 A 48 48 SER CA C 48 57.844 61.730 -3.886 1
1 581 . 4 1 1 A 48 48 SER CB C 48 64.102 63.222 0.880 1
1 582 . 4 1 1 A 48 48 SER N N 48 116.339 114.289 2.050 1
1 583 . 4 1 1 A 49 49 VAL H H 49 7.921 7.933 -0.012 1
1 584 . 4 1 1 A 49 49 VAL HA H 49 3.990 3.447 0.543 1
1 592 . 4 1 1 A 49 49 VAL C C 49 176.402 177.797 -1.395 1
1 593 . 4 1 1 A 49 49 VAL CA C 49 62.909 66.983 -4.074 1
1 594 . 4 1 1 A 49 49 VAL CB C 49 32.467 31.287 1.180 1
1 597 . 4 1 1 A 49 49 VAL N N 49 121.079 121.447 -0.368 1
1 598 . 4 1 1 A 50 50 GLU H H 50 8.229 8.087 0.142 1
1 599 . 4 1 1 A 50 50 GLU HA H 50 4.307 4.198 0.109 1
1 604 . 4 1 1 A 50 50 GLU C C 50 176.506 178.569 -2.063 1
1 605 . 4 1 1 A 50 50 GLU CA C 50 57.040 58.416 -1.376 1
1 606 . 4 1 1 A 50 50 GLU CB C 50 30.123 27.908 2.215 1
1 608 . 4 1 1 A 50 50 GLU N N 50 122.433 119.348 3.085 1
1 609 . 4 1 1 A 51 51 THR H H 51 7.993 7.238 0.755 1
1 610 . 4 1 1 A 51 51 THR HA H 51 4.248 3.771 0.477 1
1 615 . 4 1 1 A 51 51 THR C C 51 174.430 176.333 -1.903 1
1 616 . 4 1 1 A 51 51 THR CA C 51 62.227 66.116 -3.889 1
1 617 . 4 1 1 A 51 51 THR CB C 51 69.712 68.473 1.239 1
1 619 . 4 1 1 A 51 51 THR N N 51 114.413 115.916 -1.503 1
1 620 . 4 1 1 A 52 52 ALA H H 52 8.160 7.848 0.312 1
1 621 . 4 1 1 A 52 52 ALA HA H 52 4.212 4.138 0.074 1
1 625 . 4 1 1 A 52 52 ALA C C 52 177.976 179.068 -1.092 1
1 626 . 4 1 1 A 52 52 ALA CA C 52 53.069 54.943 -1.874 1
1 627 . 4 1 1 A 52 52 ALA CB C 52 19.178 18.229 0.949 1
1 628 . 4 1 1 A 52 52 ALA N N 52 125.641 123.709 1.932 1
1 629 . 4 1 1 A 53 53 THR H H 53 8.022 7.276 0.746 1
1 630 . 4 1 1 A 53 53 THR HA H 53 4.231 4.483 -0.252 1
1 635 . 4 1 1 A 53 53 THR C C 53 174.750 174.453 0.297 1
1 636 . 4 1 1 A 53 53 THR CA C 53 62.231 61.836 0.395 1
1 637 . 4 1 1 A 53 53 THR CB C 53 69.726 68.840 0.886 1
1 639 . 4 1 1 A 53 53 THR N N 53 112.100 107.691 4.409 1
1 640 . 4 1 1 A 54 54 THR H H 54 7.999 7.909 0.090 1
1 641 . 4 1 1 A 54 54 THR HA H 54 4.303 3.941 0.362 1
1 646 . 4 1 1 A 54 54 THR C C 54 174.592 174.178 0.414 1
1 647 . 4 1 1 A 54 54 THR CA C 54 62.002 62.855 -0.853 1
1 648 . 4 1 1 A 54 54 THR CB C 54 69.793 66.514 3.279 1
1 650 . 4 1 1 A 54 54 THR N N 54 116.238 114.988 1.250 1
1 651 . 4 1 1 A 55 55 VAL H H 55 8.098 7.601 0.497 1
1 652 . 4 1 1 A 55 55 VAL HA H 55 4.017 4.152 -0.135 1
1 660 . 4 1 1 A 55 55 VAL C C 55 176.453 176.048 0.405 1
1 661 . 4 1 1 A 55 55 VAL CA C 55 62.650 63.648 -0.998 1
1 662 . 4 1 1 A 55 55 VAL CB C 55 32.524 33.035 -0.511 1
1 665 . 4 1 1 A 55 55 VAL N N 55 122.445 121.349 1.096 1
1 666 . 4 1 1 A 56 56 GLY H H 56 8.308 7.740 0.568 1
1 667 . 4 1 1 A 56 56 GLY HA2 H 56 3.839 3.793 0.046 1
1 668 . 4 1 1 A 56 56 GLY HA3 H 56 4.019 3.810 0.209 1
1 669 . 4 1 1 A 56 56 GLY C C 56 173.958 174.856 -0.898 1
1 670 . 4 1 1 A 56 56 GLY CA C 56 45.216 46.638 -1.422 1
1 671 . 4 1 1 A 56 56 GLY N N 56 112.118 108.759 3.359 1
1 672 . 4 1 1 A 57 57 TYR H H 57 8.051 8.868 -0.817 1
1 673 . 4 1 1 A 57 57 TYR HA H 57 4.402 4.575 -0.173 1
1 680 . 4 1 1 A 57 57 TYR C C 57 176.557 175.799 0.758 1
1 681 . 4 1 1 A 57 57 TYR CA C 57 58.251 58.584 -0.333 1
1 682 . 4 1 1 A 57 57 TYR CB C 57 38.935 38.813 0.122 1
1 683 . 4 1 1 A 57 57 TYR N N 57 120.259 118.417 1.842 1
1 684 . 4 1 1 A 58 58 GLY H H 58 8.335 8.020 0.315 1
1 685 . 4 1 1 A 58 58 GLY HA2 H 58 3.801 4.127 -0.326 1
1 686 . 4 1 1 A 58 58 GLY HA3 H 58 3.801 4.161 -0.360 1
1 687 . 4 1 1 A 58 58 GLY C C 58 173.911 174.958 -1.047 1
1 688 . 4 1 1 A 58 58 GLY CA C 58 45.311 45.844 -0.533 1
1 689 . 4 1 1 A 58 58 GLY N N 58 110.220 107.875 2.345 1
1 690 . 4 1 1 A 59 59 ASP H H 59 8.161 8.158 0.003 1
1 691 . 4 1 1 A 59 59 ASP HA H 59 4.581 4.492 0.089 1
1 694 . 4 1 1 A 59 59 ASP C C 59 175.189 175.784 -0.595 1
1 695 . 4 1 1 A 59 59 ASP CA C 59 53.570 56.838 -3.268 1
1 696 . 4 1 1 A 59 59 ASP CB C 59 38.750 42.083 -3.333 1
1 697 . 4 1 1 A 59 59 ASP N N 59 118.765 121.795 -3.030 1
1 698 . 4 1 1 A 60 60 ARG H H 60 8.086 7.966 0.120 1
1 699 . 4 1 1 A 60 60 ARG HA H 60 4.152 4.932 -0.780 1
1 711 . 4 1 1 A 60 60 ARG C C 60 176.603 174.579 2.024 1
1 712 . 4 1 1 A 60 60 ARG CA C 60 56.825 54.317 2.508 1
1 713 . 4 1 1 A 60 60 ARG CB C 60 30.935 34.752 -3.817 1
1 716 . 4 1 1 A 60 60 ARG N N 60 120.762 117.100 3.662 1
1 718 . 4 1 1 A 61 61 TYR H H 61 8.117 8.577 -0.460 1
1 719 . 4 1 1 A 61 61 TYR HA H 61 4.488 5.431 -0.943 1
1 726 . 4 1 1 A 61 61 TYR CA C 61 56.688 55.775 0.913 1
1 727 . 4 1 1 A 61 61 TYR CB C 61 39.582 40.727 -1.145 1
1 728 . 4 1 1 A 61 61 TYR N N 61 121.714 118.525 3.189 1
1 729 . 4 1 1 A 62 62 PRO HA H 62 4.383 4.411 -0.028 1
1 736 . 4 1 1 A 62 62 PRO C C 62 177.441 175.760 1.681 1
1 737 . 4 1 1 A 62 62 PRO CA C 62 63.212 62.148 1.064 1
1 738 . 4 1 1 A 62 62 PRO CB C 62 31.939 33.357 -1.418 1
1 741 . 4 1 1 A 63 63 VAL H H 63 8.217 8.231 -0.014 1
1 742 . 4 1 1 A 63 63 VAL HA H 63 4.164 4.542 -0.378 1
1 750 . 4 1 1 A 63 63 VAL C C 63 176.576 175.055 1.521 1
1 751 . 4 1 1 A 63 63 VAL CA C 63 62.382 60.270 2.112 1
1 752 . 4 1 1 A 63 63 VAL CB C 63 32.862 33.425 -0.563 1
1 755 . 4 1 1 A 63 63 VAL N N 63 120.316 120.476 -0.160 1
1 756 . 4 1 1 A 64 64 THR H H 64 8.084 8.273 -0.189 1
1 757 . 4 1 1 A 64 64 THR HA H 64 4.313 4.237 0.076 1
1 762 . 4 1 1 A 64 64 THR C C 64 174.558 175.596 -1.038 1
1 763 . 4 1 1 A 64 64 THR CA C 64 62.606 64.663 -2.057 1
1 764 . 4 1 1 A 64 64 THR CB C 64 70.496 69.614 0.882 1
1 766 . 4 1 1 A 64 64 THR N N 64 116.779 117.945 -1.166 1
1 767 . 4 1 1 A 65 65 GLU H H 65 8.404 7.998 0.406 1
1 768 . 4 1 1 A 65 65 GLU HA H 65 4.314 4.108 0.206 1
1 773 . 4 1 1 A 65 65 GLU C C 65 175.016 178.837 -3.821 1
1 774 . 4 1 1 A 65 65 GLU CA C 65 57.750 58.922 -1.172 1
1 775 . 4 1 1 A 65 65 GLU CB C 65 30.083 29.387 0.696 1
1 777 . 4 1 1 A 65 65 GLU N N 65 122.323 121.083 1.240 1
1 778 . 4 1 1 A 66 66 GLU H H 66 8.397 7.881 0.516 1
1 779 . 4 1 1 A 66 66 GLU HA H 66 4.224 4.387 -0.163 1
1 784 . 4 1 1 A 66 66 GLU C C 66 176.855 177.041 -0.186 1
1 785 . 4 1 1 A 66 66 GLU CA C 66 58.023 55.964 2.059 1
1 786 . 4 1 1 A 66 66 GLU CB C 66 29.857 30.353 -0.496 1
1 788 . 4 1 1 A 66 66 GLU N N 66 122.201 115.974 6.227 1
1 789 . 4 1 1 A 67 67 GLY H H 67 8.376 7.716 0.660 1
1 790 . 4 1 1 A 67 67 GLY HA2 H 67 3.834 3.951 -0.117 1
1 791 . 4 1 1 A 67 67 GLY HA3 H 67 3.834 3.953 -0.119 1
1 792 . 4 1 1 A 67 67 GLY C C 67 173.071 174.999 -1.928 1
1 793 . 4 1 1 A 67 67 GLY CA C 67 45.871 46.426 -0.555 1
1 794 . 4 1 1 A 67 67 GLY N N 67 109.499 108.466 1.033 1
1 795 . 4 1 1 A 68 68 ARG H H 68 8.011 8.193 -0.182 1
1 796 . 4 1 1 A 68 68 ARG HA H 68 4.482 4.314 0.168 1
1 808 . 4 1 1 A 68 68 ARG C C 68 177.494 178.079 -0.585 1
1 809 . 4 1 1 A 68 68 ARG CA C 68 57.574 58.440 -0.866 1
1 810 . 4 1 1 A 68 68 ARG CB C 68 30.325 30.187 0.138 1
1 813 . 4 1 1 A 68 68 ARG N N 68 122.501 121.457 1.044 1
1 815 . 4 1 1 A 69 69 LYS H H 69 7.986 8.000 -0.014 1
1 816 . 4 1 1 A 69 69 LYS HA H 69 4.150 4.104 0.046 1
1 825 . 4 1 1 A 69 69 LYS C C 69 178.168 178.932 -0.764 1
1 826 . 4 1 1 A 69 69 LYS CA C 69 57.781 58.245 -0.464 1
1 827 . 4 1 1 A 69 69 LYS CB C 69 32.705 32.309 0.396 1
1 831 . 4 1 1 A 69 69 LYS N N 69 120.934 118.227 2.707 1
1 832 . 4 1 1 A 70 70 VAL H H 70 7.848 8.412 -0.564 1
1 833 . 4 1 1 A 70 70 VAL HA H 70 4.088 3.651 0.437 1
1 841 . 4 1 1 A 70 70 VAL C C 70 175.998 177.983 -1.985 1
1 842 . 4 1 1 A 70 70 VAL CA C 70 64.206 66.415 -2.209 1
1 843 . 4 1 1 A 70 70 VAL CB C 70 31.873 31.731 0.142 1
1 846 . 4 1 1 A 70 70 VAL N N 70 120.324 119.866 0.458 1
1 847 . 4 1 1 A 71 71 ALA H H 71 8.300 8.339 -0.039 1
1 848 . 4 1 1 A 71 71 ALA HA H 71 4.221 4.075 0.146 1
1 852 . 4 1 1 A 71 71 ALA C C 71 178.225 179.007 -0.782 1
1 853 . 4 1 1 A 71 71 ALA CA C 71 53.106 56.047 -2.941 1
1 854 . 4 1 1 A 71 71 ALA CB C 71 19.128 18.690 0.438 1
1 855 . 4 1 1 A 71 71 ALA N N 71 127.025 121.986 5.039 1
1 856 . 4 1 1 A 72 72 GLU H H 72 8.181 8.064 0.117 1
1 857 . 4 1 1 A 72 72 GLU HA H 72 4.219 4.024 0.195 1
1 862 . 4 1 1 A 72 72 GLU C C 72 176.779 179.117 -2.338 1
1 863 . 4 1 1 A 72 72 GLU CA C 72 56.776 59.662 -2.886 1
1 864 . 4 1 1 A 72 72 GLU CB C 72 28.610 28.999 -0.389 1
1 866 . 4 1 1 A 72 72 GLU N N 72 123.008 118.180 4.828 1
1 867 . 4 1 1 A 73 73 GLN H H 73 8.132 7.748 0.384 1
1 868 . 4 1 1 A 73 73 GLN HA H 73 4.141 4.129 0.012 1
1 875 . 4 1 1 A 73 73 GLN C C 73 175.803 178.971 -3.168 1
1 876 . 4 1 1 A 73 73 GLN CA C 73 56.456 58.585 -2.129 1
1 877 . 4 1 1 A 73 73 GLN CB C 73 28.290 28.283 0.007 1
1 879 . 4 1 1 A 73 73 GLN N N 73 120.564 119.803 0.761 1
1 881 . 4 1 1 A 74 74 VAL H H 74 8.088 7.520 0.568 1
1 882 . 4 1 1 A 74 74 VAL HA H 74 3.986 3.494 0.492 1
1 890 . 4 1 1 A 74 74 VAL C C 74 176.167 177.828 -1.661 1
1 891 . 4 1 1 A 74 74 VAL CA C 74 63.123 66.303 -3.180 1
1 892 . 4 1 1 A 74 74 VAL CB C 74 30.082 31.698 -1.616 1
1 895 . 4 1 1 A 74 74 VAL N N 74 121.828 120.343 1.485 1
1 896 . 4 1 1 A 75 75 MET H H 75 8.167 8.173 -0.006 1
1 897 . 4 1 1 A 75 75 MET HA H 75 4.093 4.038 0.055 1
1 903 . 4 1 1 A 75 75 MET C C 75 176.455 177.779 -1.324 1
1 904 . 4 1 1 A 75 75 MET N N 75 123.990 118.967 5.023 1
1 905 . 4 1 1 A 76 76 LYS H H 76 8.287 8.030 0.257 1
1 906 . 4 1 1 A 76 76 LYS HA H 76 4.234 4.015 0.219 1
1 915 . 4 1 1 A 76 76 LYS C C 76 176.220 178.472 -2.252 1
1 916 . 4 1 1 A 76 76 LYS CA C 76 56.765 58.770 -2.005 1
1 917 . 4 1 1 A 76 76 LYS CB C 76 33.055 32.316 0.739 1
1 921 . 4 1 1 A 76 76 LYS N N 76 122.725 120.528 2.197 1
1 922 . 4 1 1 A 77 77 ALA H H 77 8.308 8.135 0.173 1
1 923 . 4 1 1 A 77 77 ALA HA H 77 4.213 4.030 0.183 1
1 927 . 4 1 1 A 77 77 ALA C C 77 178.097 179.766 -1.669 1
1 928 . 4 1 1 A 77 77 ALA CA C 77 52.740 54.909 -2.169 1
1 929 . 4 1 1 A 77 77 ALA CB C 77 19.427 18.412 1.015 1
1 930 . 4 1 1 A 77 77 ALA N N 77 125.316 121.453 3.863 1
1 931 . 4 1 1 A 78 78 GLY H H 78 8.284 7.964 0.320 1
1 932 . 4 1 1 A 78 78 GLY HA2 H 78 3.873 3.460 0.413 1
1 933 . 4 1 1 A 78 78 GLY HA3 H 78 3.873 3.696 0.177 1
1 934 . 4 1 1 A 78 78 GLY C C 78 174.065 175.611 -1.546 1
1 935 . 4 1 1 A 78 78 GLY CA C 78 45.497 47.267 -1.770 1
1 936 . 4 1 1 A 78 78 GLY N N 78 107.778 105.152 2.626 1
1 937 . 4 1 1 A 79 79 ILE H H 79 7.882 8.067 -0.185 1
1 938 . 4 1 1 A 79 79 ILE HA H 79 4.119 3.998 0.121 1
1 948 . 4 1 1 A 79 79 ILE C C 79 176.160 178.189 -2.029 1
1 949 . 4 1 1 A 79 79 ILE CA C 79 61.436 63.454 -2.018 1
1 950 . 4 1 1 A 79 79 ILE CB C 79 38.904 36.694 2.210 1
1 954 . 4 1 1 A 79 79 ILE N N 79 119.794 122.417 -2.623 1
1 955 . 4 1 1 A 80 80 GLU H H 80 8.354 8.141 0.213 1
1 956 . 4 1 1 A 80 80 GLU HA H 80 4.282 4.036 0.246 1
1 961 . 4 1 1 A 80 80 GLU C C 80 176.174 178.990 -2.816 1
1 962 . 4 1 1 A 80 80 GLU CA C 80 57.178 59.448 -2.270 1
1 963 . 4 1 1 A 80 80 GLU CB C 80 30.019 29.438 0.581 1
1 965 . 4 1 1 A 80 80 GLU N N 80 124.311 119.431 4.880 1
1 966 . 4 1 1 A 81 81 VAL H H 81 8.205 7.553 0.652 1
1 967 . 4 1 1 A 81 81 VAL HA H 81 3.985 3.711 0.274 1
1 975 . 4 1 1 A 81 81 VAL C C 81 175.815 177.997 -2.182 1
1 976 . 4 1 1 A 81 81 VAL CA C 81 62.865 65.364 -2.499 1
1 977 . 4 1 1 A 81 81 VAL CB C 81 32.629 31.286 1.343 1
1 980 . 4 1 1 A 81 81 VAL N N 81 121.106 116.832 4.274 1
1 981 . 4 1 1 A 82 82 PHE H H 82 8.252 7.595 0.657 1
1 982 . 4 1 1 A 82 82 PHE HA H 82 4.551 4.086 0.465 1
1 990 . 4 1 1 A 82 82 PHE C C 82 175.631 178.404 -2.773 1
1 991 . 4 1 1 A 82 82 PHE CA C 82 58.206 61.314 -3.108 1
1 992 . 4 1 1 A 82 82 PHE CB C 82 39.431 38.493 0.938 1
1 993 . 4 1 1 A 82 82 PHE N N 82 123.622 120.059 3.563 1
1 994 . 4 1 1 A 83 83 ALA H H 83 8.184 8.634 -0.450 1
1 995 . 4 1 1 A 83 83 ALA HA H 83 4.230 4.139 0.091 1
1 999 . 4 1 1 A 83 83 ALA C C 83 178.025 179.936 -1.911 1
1 1000 . 4 1 1 A 83 83 ALA CA C 83 52.731 55.159 -2.428 1
1 1001 . 4 1 1 A 83 83 ALA CB C 83 19.359 18.113 1.246 1
1 1002 . 4 1 1 A 83 83 ALA N N 83 125.081 122.949 2.132 1
1 1003 . 4 1 1 A 84 84 LEU H H 84 8.104 8.018 0.086 1
1 1004 . 4 1 1 A 84 84 LEU HA H 84 4.167 4.101 0.066 1
1 1014 . 4 1 1 A 84 84 LEU C C 84 176.390 178.838 -2.448 1
1 1015 . 4 1 1 A 84 84 LEU CA C 84 55.786 57.689 -1.903 1
1 1016 . 4 1 1 A 84 84 LEU CB C 84 42.179 41.679 0.500 1
1 1020 . 4 1 1 A 84 84 LEU N N 84 119.064 120.650 -1.586 1
1 1021 . 4 1 1 A 85 85 VAL H H 85 8.155 8.084 0.071 1
1 1022 . 4 1 1 A 85 85 VAL HA H 85 4.073 3.866 0.207 1
1 1030 . 4 1 1 A 85 85 VAL C C 85 176.521 178.014 -1.493 1
1 1031 . 4 1 1 A 85 85 VAL CA C 85 62.762 65.797 -3.035 1
1 1032 . 4 1 1 A 85 85 VAL CB C 85 32.498 31.538 0.960 1
1 1035 . 4 1 1 A 85 85 VAL N N 85 121.743 119.231 2.512 1
1 1036 . 4 1 1 A 86 86 THR H H 86 8.052 7.786 0.266 1
1 1037 . 4 1 1 A 86 86 THR HA H 86 4.141 3.950 0.191 1
1 1042 . 4 1 1 A 86 86 THR C C 86 174.706 176.412 -1.706 1
1 1043 . 4 1 1 A 86 86 THR CA C 86 62.351 66.144 -3.793 1
1 1044 . 4 1 1 A 86 86 THR CB C 86 69.618 68.342 1.276 1
1 1046 . 4 1 1 A 86 86 THR N N 86 117.693 115.758 1.935 1
1 1047 . 4 1 1 A 87 87 ALA H H 87 8.216 8.469 -0.253 1
1 1048 . 4 1 1 A 87 87 ALA HA H 87 4.170 3.997 0.173 1
1 1052 . 4 1 1 A 87 87 ALA C C 87 178.003 179.233 -1.230 1
1 1053 . 4 1 1 A 87 87 ALA CA C 87 52.967 54.965 -1.998 1
1 1054 . 4 1 1 A 87 87 ALA CB C 87 18.326 18.073 0.253 1
1 1055 . 4 1 1 A 87 87 ALA N N 87 126.174 123.355 2.819 1
1 1056 . 4 1 1 A 88 88 ALA H H 88 8.129 8.049 0.080 1
1 1057 . 4 1 1 A 88 88 ALA HA H 88 4.147 3.743 0.404 1
1 1061 . 4 1 1 A 88 88 ALA C C 88 178.246 179.671 -1.425 1
1 1062 . 4 1 1 A 88 88 ALA CA C 88 52.961 54.634 -1.673 1
1 1063 . 4 1 1 A 88 88 ALA CB C 88 19.290 18.760 0.530 1
1 1064 . 4 1 1 A 88 88 ALA N N 88 122.649 119.946 2.703 1
1 1065 . 4 1 1 A 89 89 LEU H H 89 7.992 7.962 0.030 1
1 1066 . 4 1 1 A 89 89 LEU HA H 89 4.153 3.921 0.232 1
1 1076 . 4 1 1 A 89 89 LEU C C 89 176.375 178.893 -2.518 1
1 1077 . 4 1 1 A 89 89 LEU CA C 89 57.099 57.938 -0.839 1
1 1078 . 4 1 1 A 89 89 LEU CB C 89 42.055 41.436 0.619 1
1 1082 . 4 1 1 A 89 89 LEU N N 89 120.616 118.764 1.852 1
1 1083 . 4 1 1 A 90 90 ALA H H 90 8.168 8.041 0.127 1
1 1084 . 4 1 1 A 90 90 ALA HA H 90 4.218 4.285 -0.067 1
1 1088 . 4 1 1 A 90 90 ALA C C 90 178.487 178.923 -0.436 1
1 1089 . 4 1 1 A 90 90 ALA CA C 90 53.043 54.188 -1.145 1
1 1090 . 4 1 1 A 90 90 ALA CB C 90 19.269 18.526 0.743 1
1 1091 . 4 1 1 A 90 90 ALA N N 90 124.243 121.570 2.673 1
1 1092 . 4 1 1 A 91 91 THR H H 91 7.988 7.741 0.247 1
1 1093 . 4 1 1 A 91 91 THR HA H 91 4.181 4.139 0.042 1
1 1098 . 4 1 1 A 91 91 THR C C 91 174.931 175.946 -1.015 1
1 1099 . 4 1 1 A 91 91 THR CA C 91 62.190 63.656 -1.466 1
1 1100 . 4 1 1 A 91 91 THR CB C 91 69.198 68.703 0.495 1
1 1102 . 4 1 1 A 91 91 THR N N 91 112.659 110.480 2.179 1
1 1103 . 4 1 1 A 92 92 ASP H H 92 8.254 8.145 0.109 1
1 1104 . 4 1 1 A 92 92 ASP HA H 92 4.541 4.560 -0.019 1
1 1107 . 4 1 1 A 92 92 ASP C C 92 175.823 178.296 -2.473 1
1 1108 . 4 1 1 A 92 92 ASP CA C 92 53.570 56.089 -2.519 1
1 1109 . 4 1 1 A 92 92 ASP CB C 92 38.750 40.855 -2.105 1
1 1110 . 4 1 1 A 92 92 ASP N N 92 120.688 122.968 -2.280 1
1 1111 . 4 1 1 A 93 93 PHE H H 93 8.048 8.228 -0.180 1
1 1112 . 4 1 1 A 93 93 PHE HA H 93 4.547 4.368 0.179 1
1 1120 . 4 1 1 A 93 93 PHE C C 93 176.384 177.644 -1.260 1
1 1121 . 4 1 1 A 93 93 PHE CA C 93 58.633 59.476 -0.843 1
1 1122 . 4 1 1 A 93 93 PHE CB C 93 39.451 38.048 1.403 1
1 1123 . 4 1 1 A 93 93 PHE N N 93 120.763 117.383 3.380 1
1 1124 . 4 1 1 A 94 94 VAL H H 94 7.904 7.509 0.395 1
1 1125 . 4 1 1 A 94 94 VAL HA H 94 4.364 3.009 1.355 1
1 1133 . 4 1 1 A 94 94 VAL C C 94 176.851 177.852 -1.001 1
1 1134 . 4 1 1 A 94 94 VAL CA C 94 63.297 65.748 -2.451 1
1 1135 . 4 1 1 A 94 94 VAL CB C 94 29.241 30.745 -1.504 1
1 1138 . 4 1 1 A 94 94 VAL N N 94 121.478 120.604 0.874 1
1 1139 . 4 1 1 A 95 95 ARG H H 95 8.146 7.952 0.194 1
1 1140 . 4 1 1 A 95 95 ARG HA H 95 4.134 3.988 0.146 1
1 1152 . 4 1 1 A 95 95 ARG C C 95 177.395 178.529 -1.134 1
1 1153 . 4 1 1 A 95 95 ARG CA C 95 55.978 59.426 -3.448 1
1 1154 . 4 1 1 A 95 95 ARG CB C 95 31.070 29.713 1.357 1
1 1157 . 4 1 1 A 95 95 ARG N N 95 122.920 119.438 3.482 1
1 1159 . 4 1 1 A 96 96 ARG H H 96 8.313 8.269 0.044 1
1 1160 . 4 1 1 A 96 96 ARG HA H 96 4.180 4.143 0.037 1
1 1172 . 4 1 1 A 96 96 ARG C C 96 176.839 178.590 -1.751 1
1 1173 . 4 1 1 A 96 96 ARG CA C 96 56.831 58.015 -1.184 1
1 1174 . 4 1 1 A 96 96 ARG CB C 96 30.952 29.157 1.795 1
1 1177 . 4 1 1 A 96 96 ARG N N 96 121.064 117.909 3.155 1
1 1179 . 4 1 1 A 97 97 GLU H H 97 8.356 7.907 0.449 1
1 1180 . 4 1 1 A 97 97 GLU HA H 97 4.220 4.103 0.117 1
1 1185 . 4 1 1 A 97 97 GLU C C 97 176.319 179.224 -2.905 1
1 1186 . 4 1 1 A 97 97 GLU CA C 97 57.408 59.172 -1.764 1
1 1187 . 4 1 1 A 97 97 GLU CB C 97 28.610 29.214 -0.604 1
1 1189 . 4 1 1 A 97 97 GLU N N 97 121.754 120.239 1.515 1
1 1190 . 4 1 1 A 98 98 GLU H H 98 8.328 8.147 0.181 1
1 1191 . 4 1 1 A 98 98 GLU HA H 98 4.240 4.234 0.006 1
1 1196 . 4 1 1 A 98 98 GLU C C 98 176.132 179.457 -3.325 1
1 1197 . 4 1 1 A 98 98 GLU CA C 98 57.666 59.232 -1.566 1
1 1198 . 4 1 1 A 98 98 GLU CB C 98 30.045 29.497 0.548 1
1 1200 . 4 1 1 A 98 98 GLU N N 98 121.414 119.607 1.807 1
1 1201 . 4 1 1 A 99 99 GLU H H 99 8.418 7.658 0.760 1
1 1202 . 4 1 1 A 99 99 GLU HA H 99 4.299 4.097 0.202 1
1 1207 . 4 1 1 A 99 99 GLU C C 99 177.021 178.650 -1.629 1
1 1208 . 4 1 1 A 99 99 GLU CA C 99 57.397 59.237 -1.840 1
1 1209 . 4 1 1 A 99 99 GLU CB C 99 30.309 29.327 0.982 1
1 1211 . 4 1 1 A 99 99 GLU N N 99 121.312 119.953 1.359 1
1 1212 . 4 1 1 A 100 100 ARG H H 100 8.013 8.088 -0.075 1
1 1213 . 4 1 1 A 100 100 ARG HA H 100 4.180 4.047 0.133 1
1 1225 . 4 1 1 A 100 100 ARG C C 100 176.313 178.176 -1.863 1
1 1226 . 4 1 1 A 100 100 ARG CA C 100 57.238 59.439 -2.201 1
1 1227 . 4 1 1 A 100 100 ARG CB C 100 30.298 29.883 0.415 1
1 1230 . 4 1 1 A 100 100 ARG N N 100 121.871 120.011 1.860 1
1 1232 . 4 1 1 A 101 101 ARG H H 101 8.260 7.366 0.894 1
1 1233 . 4 1 1 A 101 101 ARG HA H 101 4.260 4.387 -0.127 1
1 1245 . 4 1 1 A 101 101 ARG C C 101 176.753 176.888 -0.135 1
1 1246 . 4 1 1 A 101 101 ARG CA C 101 56.492 55.876 0.616 1
1 1247 . 4 1 1 A 101 101 ARG CB C 101 30.838 31.260 -0.422 1
1 1250 . 4 1 1 A 101 101 ARG N N 101 122.019 115.703 6.316 1
1 1252 . 4 1 1 A 102 102 GLY H H 102 8.380 8.134 0.246 1
1 1253 . 4 1 1 A 102 102 GLY HA2 H 102 3.849 3.968 -0.119 1
1 1254 . 4 1 1 A 102 102 GLY HA3 H 102 3.849 3.973 -0.124 1
1 1255 . 4 1 1 A 102 102 GLY C C 102 173.145 174.667 -1.522 1
1 1256 . 4 1 1 A 102 102 GLY CA C 102 45.401 46.372 -0.971 1
1 1257 . 4 1 1 A 102 102 GLY N N 102 110.110 108.929 1.181 1
1 9 . 5 1 1 A 2 2 ALA H H 2 8.742 8.539 0.203 1
1 10 . 5 1 1 A 2 2 ALA HA H 2 4.302 3.846 0.456 1
1 14 . 5 1 1 A 2 2 ALA C C 2 177.216 177.610 -0.394 1
1 15 . 5 1 1 A 2 2 ALA CA C 2 52.876 54.207 -1.331 1
1 16 . 5 1 1 A 2 2 ALA CB C 2 19.182 17.570 1.612 1
1 17 . 5 1 1 A 2 2 ALA N N 2 124.657 128.045 -3.388 1
1 18 . 5 1 1 A 3 3 ASP H H 3 8.432 8.530 -0.098 1
1 19 . 5 1 1 A 3 3 ASP HA H 3 4.530 4.674 -0.144 1
1 22 . 5 1 1 A 3 3 ASP C C 3 176.023 178.311 -2.288 1
1 23 . 5 1 1 A 3 3 ASP CA C 3 53.721 55.432 -1.711 1
1 24 . 5 1 1 A 3 3 ASP CB C 3 38.752 42.090 -3.338 1
1 25 . 5 1 1 A 3 3 ASP N N 3 118.729 117.870 0.859 1
1 26 . 5 1 1 A 4 4 HIS H H 4 8.549 8.058 0.491 1
1 27 . 5 1 1 A 4 4 HIS HA H 4 4.568 4.353 0.215 1
1 32 . 5 1 1 A 4 4 HIS C C 4 175.101 177.976 -2.875 1
1 33 . 5 1 1 A 4 4 HIS CA C 4 56.640 58.796 -2.156 1
1 34 . 5 1 1 A 4 4 HIS CB C 4 28.961 28.705 0.256 1
1 37 . 5 1 1 A 4 4 HIS N N 4 119.650 116.575 3.075 1
1 38 . 5 1 1 A 5 5 GLU H H 5 8.330 7.874 0.456 1
1 39 . 5 1 1 A 5 5 GLU HA H 5 4.207 4.154 0.053 1
1 44 . 5 1 1 A 5 5 GLU C C 5 175.749 179.478 -3.729 1
1 45 . 5 1 1 A 5 5 GLU CA C 5 56.594 59.863 -3.269 1
1 46 . 5 1 1 A 5 5 GLU CB C 5 29.285 29.242 0.043 1
1 48 . 5 1 1 A 5 5 GLU N N 5 120.937 121.203 -0.266 1
1 49 . 5 1 1 A 6 6 ARG H H 6 8.325 8.197 0.128 1
1 50 . 5 1 1 A 6 6 ARG HA H 6 4.571 4.042 0.529 1
1 62 . 5 1 1 A 6 6 ARG C C 6 177.578 178.547 -0.969 1
1 63 . 5 1 1 A 6 6 ARG CA C 6 56.716 59.123 -2.407 1
1 64 . 5 1 1 A 6 6 ARG CB C 6 30.744 29.905 0.839 1
1 67 . 5 1 1 A 6 6 ARG N N 6 120.267 118.984 1.283 1
1 69 . 5 1 1 A 7 7 GLU H H 7 8.136 7.676 0.460 1
1 70 . 5 1 1 A 7 7 GLU HA H 7 4.165 4.116 0.049 1
1 75 . 5 1 1 A 7 7 GLU C C 7 177.156 178.792 -1.636 1
1 76 . 5 1 1 A 7 7 GLU CA C 7 57.125 58.942 -1.817 1
1 77 . 5 1 1 A 7 7 GLU CB C 7 30.149 29.103 1.046 1
1 79 . 5 1 1 A 7 7 GLU N N 7 121.008 119.822 1.186 1
1 80 . 5 1 1 A 8 8 ALA H H 8 8.325 8.309 0.016 1
1 81 . 5 1 1 A 8 8 ALA HA H 8 4.212 4.053 0.159 1
1 85 . 5 1 1 A 8 8 ALA C C 8 178.913 178.886 0.027 1
1 86 . 5 1 1 A 8 8 ALA CA C 8 52.832 55.506 -2.674 1
1 87 . 5 1 1 A 8 8 ALA CB C 8 18.909 18.444 0.465 1
1 88 . 5 1 1 A 8 8 ALA N N 8 124.538 122.571 1.967 1
1 89 . 5 1 1 A 9 9 GLN H H 9 8.159 8.122 0.037 1
1 90 . 5 1 1 A 9 9 GLN HA H 9 4.140 3.978 0.162 1
1 97 . 5 1 1 A 9 9 GLN C C 9 175.771 178.141 -2.370 1
1 98 . 5 1 1 A 9 9 GLN CA C 9 57.655 59.356 -1.701 1
1 99 . 5 1 1 A 9 9 GLN CB C 9 28.606 28.419 0.187 1
1 101 . 5 1 1 A 9 9 GLN N N 9 124.103 118.071 6.032 1
1 103 . 5 1 1 A 10 10 LYS H H 10 8.148 7.685 0.463 1
1 104 . 5 1 1 A 10 10 LYS HA H 10 4.204 4.086 0.118 1
1 113 . 5 1 1 A 10 10 LYS C C 10 177.798 178.521 -0.723 1
1 114 . 5 1 1 A 10 10 LYS CA C 10 57.139 58.693 -1.554 1
1 115 . 5 1 1 A 10 10 LYS CB C 10 33.040 32.426 0.614 1
1 119 . 5 1 1 A 10 10 LYS N N 10 120.635 118.639 1.996 1
1 120 . 5 1 1 A 11 11 ALA H H 11 8.148 7.865 0.283 1
1 121 . 5 1 1 A 11 11 ALA HA H 11 4.140 4.094 0.046 1
1 125 . 5 1 1 A 11 11 ALA C C 11 178.173 179.836 -1.663 1
1 126 . 5 1 1 A 11 11 ALA CA C 11 53.351 55.075 -1.724 1
1 127 . 5 1 1 A 11 11 ALA CB C 11 19.128 18.289 0.839 1
1 128 . 5 1 1 A 11 11 ALA N N 11 123.171 121.400 1.771 1
1 129 . 5 1 1 A 12 12 GLU H H 12 8.248 7.883 0.365 1
1 130 . 5 1 1 A 12 12 GLU HA H 12 4.222 4.022 0.200 1
1 135 . 5 1 1 A 12 12 GLU C C 12 176.385 179.147 -2.762 1
1 136 . 5 1 1 A 12 12 GLU CA C 12 57.442 59.520 -2.078 1
1 137 . 5 1 1 A 12 12 GLU CB C 12 30.001 29.165 0.836 1
1 139 . 5 1 1 A 12 12 GLU N N 12 119.451 118.199 1.252 1
1 140 . 5 1 1 A 13 13 GLU H H 13 8.372 7.894 0.478 1
1 141 . 5 1 1 A 13 13 GLU HA H 13 4.265 4.085 0.180 1
1 146 . 5 1 1 A 13 13 GLU C C 13 178.060 178.842 -0.782 1
1 147 . 5 1 1 A 13 13 GLU CA C 13 56.828 59.309 -2.481 1
1 148 . 5 1 1 A 13 13 GLU CB C 13 30.082 29.215 0.867 1
1 150 . 5 1 1 A 13 13 GLU N N 13 121.080 120.256 0.824 1
1 151 . 5 1 1 A 14 14 GLU H H 14 8.152 7.651 0.501 1
1 152 . 5 1 1 A 14 14 GLU HA H 14 4.142 4.056 0.086 1
1 157 . 5 1 1 A 14 14 GLU C C 14 176.274 178.511 -2.237 1
1 158 . 5 1 1 A 14 14 GLU CA C 14 56.892 59.154 -2.262 1
1 159 . 5 1 1 A 14 14 GLU CB C 14 28.169 29.256 -1.087 1
1 161 . 5 1 1 A 14 14 GLU N N 14 120.236 120.039 0.197 1
1 162 . 5 1 1 A 15 15 LEU H H 15 8.301 7.794 0.507 1
1 163 . 5 1 1 A 15 15 LEU HA H 15 4.224 3.976 0.248 1
1 173 . 5 1 1 A 15 15 LEU C C 15 177.983 178.619 -0.636 1
1 174 . 5 1 1 A 15 15 LEU CA C 15 56.344 57.772 -1.428 1
1 175 . 5 1 1 A 15 15 LEU CB C 15 42.250 41.400 0.850 1
1 179 . 5 1 1 A 15 15 LEU N N 15 123.072 121.441 1.631 1
1 180 . 5 1 1 A 16 16 GLN H H 16 8.132 7.714 0.418 1
1 181 . 5 1 1 A 16 16 GLN HA H 16 4.145 3.989 0.156 1
1 188 . 5 1 1 A 16 16 GLN C C 16 177.674 179.028 -1.354 1
1 189 . 5 1 1 A 16 16 GLN CA C 16 57.971 59.199 -1.228 1
1 190 . 5 1 1 A 16 16 GLN CB C 16 29.889 28.045 1.844 1
1 192 . 5 1 1 A 16 16 GLN N N 16 119.160 117.710 1.450 1
1 194 . 5 1 1 A 17 17 LYS H H 17 8.214 7.306 0.908 1
1 195 . 5 1 1 A 17 17 LYS HA H 17 4.140 4.206 -0.066 1
1 204 . 5 1 1 A 17 17 LYS C C 17 177.646 178.966 -1.320 1
1 205 . 5 1 1 A 17 17 LYS CA C 17 57.115 58.779 -1.664 1
1 206 . 5 1 1 A 17 17 LYS CB C 17 32.833 32.520 0.313 1
1 210 . 5 1 1 A 17 17 LYS N N 17 120.310 121.401 -1.091 1
1 211 . 5 1 1 A 18 18 VAL H H 18 7.871 7.646 0.225 1
1 212 . 5 1 1 A 18 18 VAL HA H 18 4.108 3.579 0.529 1
1 220 . 5 1 1 A 18 18 VAL C C 18 177.476 178.323 -0.847 1
1 221 . 5 1 1 A 18 18 VAL CA C 18 63.634 66.387 -2.753 1
1 222 . 5 1 1 A 18 18 VAL CB C 18 31.886 31.380 0.506 1
1 225 . 5 1 1 A 18 18 VAL N N 18 120.571 120.539 0.032 1
1 226 . 5 1 1 A 19 19 LEU H H 19 8.180 7.943 0.237 1
1 227 . 5 1 1 A 19 19 LEU HA H 19 4.042 3.927 0.115 1
1 237 . 5 1 1 A 19 19 LEU C C 19 179.462 179.406 0.056 1
1 238 . 5 1 1 A 19 19 LEU CA C 19 57.653 58.203 -0.550 1
1 239 . 5 1 1 A 19 19 LEU CB C 19 41.800 41.378 0.422 1
1 243 . 5 1 1 A 19 19 LEU N N 19 122.936 120.432 2.504 1
1 244 . 5 1 1 A 20 20 GLU H H 20 8.122 8.115 0.007 1
1 245 . 5 1 1 A 20 20 GLU HA H 20 4.156 4.343 -0.187 1
1 250 . 5 1 1 A 20 20 GLU C C 20 178.001 179.281 -1.280 1
1 251 . 5 1 1 A 20 20 GLU CA C 20 58.045 59.210 -1.165 1
1 252 . 5 1 1 A 20 20 GLU CB C 20 30.092 29.140 0.952 1
1 254 . 5 1 1 A 20 20 GLU N N 20 118.745 117.791 0.954 1
1 255 . 5 1 1 A 21 21 GLU H H 21 8.190 7.846 0.344 1
1 256 . 5 1 1 A 21 21 GLU HA H 21 4.144 4.059 0.085 1
1 261 . 5 1 1 A 21 21 GLU C C 21 177.290 178.897 -1.607 1
1 262 . 5 1 1 A 21 21 GLU CA C 21 58.109 59.158 -1.049 1
1 263 . 5 1 1 A 21 21 GLU CB C 21 29.868 29.732 0.136 1
1 265 . 5 1 1 A 21 21 GLU N N 21 119.542 120.468 -0.926 1
1 266 . 5 1 1 A 22 22 ALA H H 22 8.092 8.648 -0.556 1
1 267 . 5 1 1 A 22 22 ALA HA H 22 4.173 4.154 0.019 1
1 271 . 5 1 1 A 22 22 ALA C C 22 179.020 180.024 -1.004 1
1 272 . 5 1 1 A 22 22 ALA CA C 22 53.944 55.225 -1.281 1
1 273 . 5 1 1 A 22 22 ALA CB C 22 18.578 18.068 0.510 1
1 274 . 5 1 1 A 22 22 ALA N N 22 123.378 123.799 -0.421 1
1 275 . 5 1 1 A 23 23 SER H H 23 8.079 8.443 -0.364 1
1 276 . 5 1 1 A 23 23 SER HA H 23 4.300 4.278 0.022 1
1 279 . 5 1 1 A 23 23 SER C C 23 173.125 176.828 -3.703 1
1 280 . 5 1 1 A 23 23 SER CA C 23 59.414 61.623 -2.209 1
1 281 . 5 1 1 A 23 23 SER CB C 23 63.520 62.589 0.931 1
1 282 . 5 1 1 A 23 23 SER N N 23 114.637 113.050 1.587 1
1 283 . 5 1 1 A 24 24 LYS H H 24 8.032 8.296 -0.264 1
1 284 . 5 1 1 A 24 24 LYS HA H 24 4.325 4.136 0.189 1
1 293 . 5 1 1 A 24 24 LYS C C 24 175.423 178.945 -3.522 1
1 294 . 5 1 1 A 24 24 LYS CA C 24 57.273 59.813 -2.540 1
1 295 . 5 1 1 A 24 24 LYS CB C 24 31.200 32.541 -1.341 1
1 299 . 5 1 1 A 24 24 LYS N N 24 122.635 122.015 0.620 1
1 300 . 5 1 1 A 25 25 LYS H H 25 8.042 8.036 0.006 1
1 301 . 5 1 1 A 25 25 LYS HA H 25 4.169 4.105 0.064 1
1 310 . 5 1 1 A 25 25 LYS C C 25 177.025 179.150 -2.125 1
1 311 . 5 1 1 A 25 25 LYS CA C 25 56.876 59.715 -2.839 1
1 312 . 5 1 1 A 25 25 LYS CB C 25 31.200 32.462 -1.262 1
1 316 . 5 1 1 A 25 25 LYS N N 25 121.079 119.574 1.505 1
1 317 . 5 1 1 A 26 26 ALA H H 26 8.103 8.725 -0.622 1
1 318 . 5 1 1 A 26 26 ALA HA H 26 4.196 4.000 0.196 1
1 322 . 5 1 1 A 26 26 ALA C C 26 178.418 180.025 -1.607 1
1 323 . 5 1 1 A 26 26 ALA CA C 26 53.049 55.303 -2.254 1
1 324 . 5 1 1 A 26 26 ALA CB C 26 19.055 18.146 0.909 1
1 325 . 5 1 1 A 26 26 ALA N N 26 124.589 122.769 1.820 1
1 326 . 5 1 1 A 27 27 VAL H H 27 8.030 8.134 -0.104 1
1 327 . 5 1 1 A 27 27 VAL HA H 27 3.945 3.774 0.171 1
1 335 . 5 1 1 A 27 27 VAL C C 27 179.177 177.617 1.560 1
1 336 . 5 1 1 A 27 27 VAL CA C 27 63.001 65.028 -2.027 1
1 337 . 5 1 1 A 27 27 VAL CB C 27 32.449 31.455 0.994 1
1 340 . 5 1 1 A 27 27 VAL N N 27 119.340 116.948 2.392 1
1 341 . 5 1 1 A 28 28 GLU H H 28 8.187 8.058 0.129 1
1 342 . 5 1 1 A 28 28 GLU HA H 28 4.166 4.152 0.014 1
1 347 . 5 1 1 A 28 28 GLU C C 28 176.411 178.853 -2.442 1
1 348 . 5 1 1 A 28 28 GLU CA C 28 57.290 58.509 -1.219 1
1 349 . 5 1 1 A 28 28 GLU CB C 28 30.025 29.544 0.481 1
1 351 . 5 1 1 A 28 28 GLU N N 28 120.351 120.606 -0.255 1
1 352 . 5 1 1 A 29 29 ALA H H 29 8.173 8.183 -0.010 1
1 353 . 5 1 1 A 29 29 ALA HA H 29 4.230 4.120 0.110 1
1 357 . 5 1 1 A 29 29 ALA C C 29 176.924 179.592 -2.668 1
1 358 . 5 1 1 A 29 29 ALA CA C 29 53.338 55.227 -1.889 1
1 359 . 5 1 1 A 29 29 ALA CB C 29 18.964 18.980 -0.016 1
1 360 . 5 1 1 A 29 29 ALA N N 29 124.463 122.638 1.825 1
1 361 . 5 1 1 A 30 30 GLU H H 30 8.239 8.665 -0.426 1
1 362 . 5 1 1 A 30 30 GLU HA H 30 4.251 4.148 0.103 1
1 367 . 5 1 1 A 30 30 GLU C C 30 175.016 177.322 -2.306 1
1 368 . 5 1 1 A 30 30 GLU CA C 30 58.033 58.597 -0.564 1
1 369 . 5 1 1 A 30 30 GLU CB C 30 29.996 29.614 0.382 1
1 371 . 5 1 1 A 30 30 GLU N N 30 122.971 118.521 4.450 1
1 372 . 5 1 1 A 31 31 ARG H H 31 8.261 7.608 0.653 1
1 373 . 5 1 1 A 31 31 ARG HA H 31 4.255 4.031 0.224 1
1 385 . 5 1 1 A 31 31 ARG C C 31 176.727 176.752 -0.025 1
1 386 . 5 1 1 A 31 31 ARG CA C 31 56.565 57.785 -1.220 1
1 387 . 5 1 1 A 31 31 ARG CB C 31 30.783 30.045 0.738 1
1 390 . 5 1 1 A 31 31 ARG N N 31 121.894 120.570 1.324 1
1 392 . 5 1 1 A 32 32 GLY H H 32 8.302 8.355 -0.053 1
1 393 . 5 1 1 A 32 32 GLY HA2 H 32 3.852 3.993 -0.141 1
1 394 . 5 1 1 A 32 32 GLY HA3 H 32 3.852 3.996 -0.144 1
1 395 . 5 1 1 A 32 32 GLY C C 32 173.994 174.491 -0.497 1
1 396 . 5 1 1 A 32 32 GLY CA C 32 45.077 45.224 -0.147 1
1 397 . 5 1 1 A 32 32 GLY N N 32 109.773 114.454 -4.681 1
1 398 . 5 1 1 A 33 33 ALA H H 33 8.011 7.760 0.251 1
1 399 . 5 1 1 A 33 33 ALA HA H 33 4.212 4.472 -0.260 1
1 403 . 5 1 1 A 33 33 ALA CA C 33 50.522 50.667 -0.145 1
1 404 . 5 1 1 A 33 33 ALA CB C 33 18.962 19.484 -0.522 1
1 405 . 5 1 1 A 33 33 ALA N N 33 123.601 124.730 -1.129 1
1 406 . 5 1 1 A 34 34 PRO HA H 34 4.352 4.290 0.062 1
1 413 . 5 1 1 A 34 34 PRO C C 34 177.746 177.527 0.219 1
1 414 . 5 1 1 A 34 34 PRO CA C 34 63.520 63.679 -0.159 1
1 415 . 5 1 1 A 34 34 PRO CB C 34 31.938 31.511 0.427 1
1 418 . 5 1 1 A 35 35 GLY H H 35 8.433 8.772 -0.339 1
1 419 . 5 1 1 A 35 35 GLY HA2 H 35 3.848 3.910 -0.062 1
1 420 . 5 1 1 A 35 35 GLY HA3 H 35 3.848 3.923 -0.075 1
1 421 . 5 1 1 A 35 35 GLY C C 35 173.266 174.902 -1.636 1
1 422 . 5 1 1 A 35 35 GLY CA C 35 45.405 45.114 0.291 1
1 423 . 5 1 1 A 35 35 GLY N N 35 109.298 112.082 -2.784 1
1 424 . 5 1 1 A 36 36 ALA H H 36 8.095 7.335 0.760 1
1 425 . 5 1 1 A 36 36 ALA HA H 36 4.196 4.255 -0.059 1
1 429 . 5 1 1 A 36 36 ALA C C 36 177.944 176.819 1.125 1
1 430 . 5 1 1 A 36 36 ALA CA C 36 52.551 52.373 0.178 1
1 431 . 5 1 1 A 36 36 ALA CB C 36 19.485 19.832 -0.347 1
1 432 . 5 1 1 A 36 36 ALA N N 36 124.605 122.731 1.874 1
1 433 . 5 1 1 A 37 37 ALA H H 37 8.199 8.597 -0.398 1
1 434 . 5 1 1 A 37 37 ALA HA H 37 4.491 4.303 0.188 1
1 438 . 5 1 1 A 37 37 ALA C C 37 177.456 176.866 0.590 1
1 439 . 5 1 1 A 37 37 ALA CA C 37 52.453 52.885 -0.432 1
1 440 . 5 1 1 A 37 37 ALA CB C 37 19.060 20.351 -1.291 1
1 441 . 5 1 1 A 37 37 ALA N N 37 123.695 122.484 1.211 1
1 442 . 5 1 1 A 38 38 LEU H H 38 8.099 7.805 0.294 1
1 443 . 5 1 1 A 38 38 LEU HA H 38 4.243 4.313 -0.070 1
1 453 . 5 1 1 A 38 38 LEU C C 38 177.358 175.384 1.974 1
1 454 . 5 1 1 A 38 38 LEU CA C 38 55.218 54.704 0.514 1
1 455 . 5 1 1 A 38 38 LEU CB C 38 42.228 43.101 -0.873 1
1 459 . 5 1 1 A 38 38 LEU N N 38 121.531 118.736 2.795 1
1 460 . 5 1 1 A 39 39 ILE H H 39 7.966 8.390 -0.424 1
1 461 . 5 1 1 A 39 39 ILE HA H 39 4.136 4.582 -0.446 1
1 471 . 5 1 1 A 39 39 ILE C C 39 175.586 175.220 0.366 1
1 472 . 5 1 1 A 39 39 ILE CA C 39 60.873 58.933 1.940 1
1 473 . 5 1 1 A 39 39 ILE CB C 39 38.727 41.360 -2.633 1
1 477 . 5 1 1 A 39 39 ILE N N 39 121.669 121.572 0.097 1
1 478 . 5 1 1 A 40 40 SER H H 40 8.101 8.686 -0.585 1
1 479 . 5 1 1 A 40 40 SER HA H 40 4.347 4.424 -0.077 1
1 482 . 5 1 1 A 40 40 SER C C 40 173.336 173.714 -0.378 1
1 483 . 5 1 1 A 40 40 SER CA C 40 57.331 59.757 -2.426 1
1 484 . 5 1 1 A 40 40 SER CB C 40 63.983 62.089 1.894 1
1 485 . 5 1 1 A 40 40 SER N N 40 119.591 116.472 3.119 1
1 486 . 5 1 1 A 41 41 TYR H H 41 8.100 8.839 -0.739 1
1 487 . 5 1 1 A 41 41 TYR HA H 41 4.436 4.285 0.151 1
1 494 . 5 1 1 A 41 41 TYR CA C 41 56.067 62.582 -6.515 1
1 495 . 5 1 1 A 41 41 TYR CB C 41 38.244 38.157 0.087 1
1 496 . 5 1 1 A 41 41 TYR N N 41 122.744 123.936 -1.192 1
1 497 . 5 1 1 A 42 42 PRO HA H 42 4.281 4.191 0.090 1
1 504 . 5 1 1 A 42 42 PRO C C 42 176.765 177.852 -1.087 1
1 505 . 5 1 1 A 42 42 PRO CA C 42 63.650 64.955 -1.305 1
1 506 . 5 1 1 A 42 42 PRO CB C 42 30.513 31.252 -0.739 1
1 509 . 5 1 1 A 43 43 ASP H H 43 8.305 8.226 0.079 1
1 510 . 5 1 1 A 43 43 ASP HA H 43 4.548 4.431 0.117 1
1 513 . 5 1 1 A 43 43 ASP C C 43 175.135 178.179 -3.044 1
1 514 . 5 1 1 A 43 43 ASP CA C 43 53.570 56.979 -3.409 1
1 515 . 5 1 1 A 43 43 ASP CB C 43 38.450 41.213 -2.763 1
1 516 . 5 1 1 A 43 43 ASP N N 43 118.052 117.503 0.549 1
1 517 . 5 1 1 A 44 44 ALA H H 44 8.013 8.325 -0.312 1
1 518 . 5 1 1 A 44 44 ALA HA H 44 4.106 4.121 -0.015 1
1 522 . 5 1 1 A 44 44 ALA C C 44 177.969 179.914 -1.945 1
1 523 . 5 1 1 A 44 44 ALA CA C 44 52.867 55.244 -2.377 1
1 524 . 5 1 1 A 44 44 ALA CB C 44 19.023 17.969 1.054 1
1 525 . 5 1 1 A 44 44 ALA N N 44 123.344 121.905 1.439 1
1 526 . 5 1 1 A 45 45 ILE H H 45 7.860 7.783 0.077 1
1 527 . 5 1 1 A 45 45 ILE HA H 45 3.855 3.883 -0.028 1
1 537 . 5 1 1 A 45 45 ILE C C 45 176.287 177.815 -1.528 1
1 538 . 5 1 1 A 45 45 ILE CA C 45 61.465 63.659 -2.194 1
1 539 . 5 1 1 A 45 45 ILE CB C 45 38.294 37.450 0.844 1
1 543 . 5 1 1 A 45 45 ILE N N 45 118.636 118.149 0.487 1
1 544 . 5 1 1 A 46 46 TRP H H 46 7.646 7.706 -0.060 1
1 545 . 5 1 1 A 46 46 TRP HA H 46 4.504 4.456 0.048 1
1 554 . 5 1 1 A 46 46 TRP C C 46 176.136 178.553 -2.417 1
1 555 . 5 1 1 A 46 46 TRP CA C 46 57.139 59.362 -2.223 1
1 556 . 5 1 1 A 46 46 TRP CB C 46 28.880 29.779 -0.899 1
1 558 . 5 1 1 A 46 46 TRP N N 46 122.947 121.944 1.003 1
1 560 . 5 1 1 A 47 47 TRP H H 47 7.502 7.823 -0.321 1
1 561 . 5 1 1 A 47 47 TRP HA H 47 4.482 4.384 0.098 1
1 570 . 5 1 1 A 47 47 TRP C C 47 176.149 177.556 -1.407 1
1 571 . 5 1 1 A 47 47 TRP CA C 47 57.197 60.421 -3.224 1
1 572 . 5 1 1 A 47 47 TRP CB C 47 29.703 29.421 0.282 1
1 573 . 5 1 1 A 47 47 TRP N N 47 120.943 121.643 -0.700 1
1 575 . 5 1 1 A 48 48 SER H H 48 7.861 8.303 -0.442 1
1 576 . 5 1 1 A 48 48 SER HA H 48 4.258 4.432 -0.174 1
1 579 . 5 1 1 A 48 48 SER C C 48 174.600 173.982 0.618 1
1 580 . 5 1 1 A 48 48 SER CA C 48 57.844 57.838 0.006 1
1 581 . 5 1 1 A 48 48 SER CB C 48 64.102 61.033 3.069 1
1 582 . 5 1 1 A 48 48 SER N N 48 116.339 113.838 2.501 1
1 583 . 5 1 1 A 49 49 VAL H H 49 7.921 8.139 -0.218 1
1 584 . 5 1 1 A 49 49 VAL HA H 49 3.990 4.238 -0.248 1
1 592 . 5 1 1 A 49 49 VAL C C 49 176.402 177.439 -1.037 1
1 593 . 5 1 1 A 49 49 VAL CA C 49 62.909 63.215 -0.306 1
1 594 . 5 1 1 A 49 49 VAL CB C 49 32.467 33.172 -0.705 1
1 597 . 5 1 1 A 49 49 VAL N N 49 121.079 120.324 0.755 1
1 598 . 5 1 1 A 50 50 GLU H H 50 8.229 8.378 -0.149 1
1 599 . 5 1 1 A 50 50 GLU HA H 50 4.307 4.266 0.041 1
1 604 . 5 1 1 A 50 50 GLU C C 50 176.506 178.802 -2.296 1
1 605 . 5 1 1 A 50 50 GLU CA C 50 57.040 58.506 -1.466 1
1 606 . 5 1 1 A 50 50 GLU CB C 50 30.123 28.008 2.115 1
1 608 . 5 1 1 A 50 50 GLU N N 50 122.433 119.556 2.877 1
1 609 . 5 1 1 A 51 51 THR H H 51 7.993 7.779 0.214 1
1 610 . 5 1 1 A 51 51 THR HA H 51 4.248 3.744 0.504 1
1 615 . 5 1 1 A 51 51 THR C C 51 174.430 176.997 -2.567 1
1 616 . 5 1 1 A 51 51 THR CA C 51 62.227 65.328 -3.101 1
1 617 . 5 1 1 A 51 51 THR CB C 51 69.712 68.370 1.342 1
1 619 . 5 1 1 A 51 51 THR N N 51 114.413 114.919 -0.506 1
1 620 . 5 1 1 A 52 52 ALA H H 52 8.160 7.891 0.269 1
1 621 . 5 1 1 A 52 52 ALA HA H 52 4.212 4.110 0.102 1
1 625 . 5 1 1 A 52 52 ALA C C 52 177.976 178.557 -0.581 1
1 626 . 5 1 1 A 52 52 ALA CA C 52 53.069 54.507 -1.438 1
1 627 . 5 1 1 A 52 52 ALA CB C 52 19.178 18.168 1.010 1
1 628 . 5 1 1 A 52 52 ALA N N 52 125.641 123.287 2.354 1
1 629 . 5 1 1 A 53 53 THR H H 53 8.022 7.658 0.364 1
1 630 . 5 1 1 A 53 53 THR HA H 53 4.231 4.576 -0.345 1
1 635 . 5 1 1 A 53 53 THR C C 53 174.750 174.289 0.461 1
1 636 . 5 1 1 A 53 53 THR CA C 53 62.231 61.542 0.689 1
1 637 . 5 1 1 A 53 53 THR CB C 53 69.726 68.752 0.974 1
1 639 . 5 1 1 A 53 53 THR N N 53 112.100 107.567 4.533 1
1 640 . 5 1 1 A 54 54 THR H H 54 7.999 7.967 0.032 1
1 641 . 5 1 1 A 54 54 THR HA H 54 4.303 3.992 0.311 1
1 646 . 5 1 1 A 54 54 THR C C 54 174.592 173.363 1.229 1
1 647 . 5 1 1 A 54 54 THR CA C 54 62.002 62.959 -0.957 1
1 648 . 5 1 1 A 54 54 THR CB C 54 69.793 66.488 3.305 1
1 650 . 5 1 1 A 54 54 THR N N 54 116.238 114.310 1.928 1
1 651 . 5 1 1 A 55 55 VAL H H 55 8.098 7.498 0.600 1
1 652 . 5 1 1 A 55 55 VAL HA H 55 4.017 4.199 -0.182 1
1 660 . 5 1 1 A 55 55 VAL C C 55 176.453 176.234 0.219 1
1 661 . 5 1 1 A 55 55 VAL CA C 55 62.650 62.872 -0.222 1
1 662 . 5 1 1 A 55 55 VAL CB C 55 32.524 32.283 0.241 1
1 665 . 5 1 1 A 55 55 VAL N N 55 122.445 120.071 2.374 1
1 666 . 5 1 1 A 56 56 GLY H H 56 8.308 7.856 0.452 1
1 667 . 5 1 1 A 56 56 GLY HA2 H 56 3.839 3.994 -0.155 1
1 668 . 5 1 1 A 56 56 GLY HA3 H 56 4.019 4.017 0.002 1
1 669 . 5 1 1 A 56 56 GLY C C 56 173.958 174.983 -1.025 1
1 670 . 5 1 1 A 56 56 GLY CA C 56 45.216 46.100 -0.884 1
1 671 . 5 1 1 A 56 56 GLY N N 56 112.118 108.372 3.746 1
1 672 . 5 1 1 A 57 57 TYR H H 57 8.051 8.488 -0.437 1
1 673 . 5 1 1 A 57 57 TYR HA H 57 4.402 4.485 -0.083 1
1 680 . 5 1 1 A 57 57 TYR C C 57 176.557 175.922 0.635 1
1 681 . 5 1 1 A 57 57 TYR CA C 57 58.251 59.127 -0.876 1
1 682 . 5 1 1 A 57 57 TYR CB C 57 38.935 38.770 0.165 1
1 683 . 5 1 1 A 57 57 TYR N N 57 120.259 117.746 2.513 1
1 684 . 5 1 1 A 58 58 GLY H H 58 8.335 8.054 0.281 1
1 685 . 5 1 1 A 58 58 GLY HA2 H 58 3.801 4.156 -0.355 1
1 686 . 5 1 1 A 58 58 GLY HA3 H 58 3.801 4.209 -0.408 1
1 687 . 5 1 1 A 58 58 GLY C C 58 173.911 175.437 -1.526 1
1 688 . 5 1 1 A 58 58 GLY CA C 58 45.311 45.534 -0.223 1
1 689 . 5 1 1 A 58 58 GLY N N 58 110.220 107.808 2.412 1
1 690 . 5 1 1 A 59 59 ASP H H 59 8.161 8.475 -0.314 1
1 691 . 5 1 1 A 59 59 ASP HA H 59 4.581 4.540 0.041 1
1 694 . 5 1 1 A 59 59 ASP C C 59 175.189 176.602 -1.413 1
1 695 . 5 1 1 A 59 59 ASP CA C 59 53.570 56.757 -3.187 1
1 696 . 5 1 1 A 59 59 ASP CB C 59 38.750 41.717 -2.967 1
1 697 . 5 1 1 A 59 59 ASP N N 59 118.765 118.869 -0.104 1
1 698 . 5 1 1 A 60 60 ARG H H 60 8.086 7.960 0.126 1
1 699 . 5 1 1 A 60 60 ARG HA H 60 4.152 4.673 -0.521 1
1 711 . 5 1 1 A 60 60 ARG C C 60 176.603 174.524 2.079 1
1 712 . 5 1 1 A 60 60 ARG CA C 60 56.825 54.513 2.312 1
1 713 . 5 1 1 A 60 60 ARG CB C 60 30.935 34.918 -3.983 1
1 716 . 5 1 1 A 60 60 ARG N N 60 120.762 117.187 3.575 1
1 718 . 5 1 1 A 61 61 TYR H H 61 8.117 8.475 -0.358 1
1 719 . 5 1 1 A 61 61 TYR HA H 61 4.488 5.251 -0.763 1
1 726 . 5 1 1 A 61 61 TYR CA C 61 56.688 55.641 1.047 1
1 727 . 5 1 1 A 61 61 TYR CB C 61 39.582 39.670 -0.088 1
1 728 . 5 1 1 A 61 61 TYR N N 61 121.714 118.471 3.243 1
1 729 . 5 1 1 A 62 62 PRO HA H 62 4.383 4.590 -0.207 1
1 736 . 5 1 1 A 62 62 PRO C C 62 177.441 176.143 1.298 1
1 737 . 5 1 1 A 62 62 PRO CA C 62 63.212 62.358 0.854 1
1 738 . 5 1 1 A 62 62 PRO CB C 62 31.939 33.312 -1.373 1
1 741 . 5 1 1 A 63 63 VAL H H 63 8.217 8.776 -0.559 1
1 742 . 5 1 1 A 63 63 VAL HA H 63 4.164 4.203 -0.039 1
1 750 . 5 1 1 A 63 63 VAL C C 63 176.576 177.075 -0.499 1
1 751 . 5 1 1 A 63 63 VAL CA C 63 62.382 62.329 0.053 1
1 752 . 5 1 1 A 63 63 VAL CB C 63 32.862 32.567 0.295 1
1 755 . 5 1 1 A 63 63 VAL N N 63 120.316 119.272 1.044 1
1 756 . 5 1 1 A 64 64 THR H H 64 8.084 8.181 -0.097 1
1 757 . 5 1 1 A 64 64 THR HA H 64 4.313 4.543 -0.230 1
1 762 . 5 1 1 A 64 64 THR C C 64 174.558 175.128 -0.570 1
1 763 . 5 1 1 A 64 64 THR CA C 64 62.606 63.313 -0.707 1
1 764 . 5 1 1 A 64 64 THR CB C 64 70.496 70.771 -0.275 1
1 766 . 5 1 1 A 64 64 THR N N 64 116.779 116.182 0.597 1
1 767 . 5 1 1 A 65 65 GLU H H 65 8.404 7.972 0.432 1
1 768 . 5 1 1 A 65 65 GLU HA H 65 4.314 4.165 0.149 1
1 773 . 5 1 1 A 65 65 GLU C C 65 175.016 178.617 -3.601 1
1 774 . 5 1 1 A 65 65 GLU CA C 65 57.750 58.967 -1.217 1
1 775 . 5 1 1 A 65 65 GLU CB C 65 30.083 29.282 0.801 1
1 777 . 5 1 1 A 65 65 GLU N N 65 122.323 120.680 1.643 1
1 778 . 5 1 1 A 66 66 GLU H H 66 8.397 7.894 0.503 1
1 779 . 5 1 1 A 66 66 GLU HA H 66 4.224 4.263 -0.039 1
1 784 . 5 1 1 A 66 66 GLU C C 66 176.855 177.075 -0.220 1
1 785 . 5 1 1 A 66 66 GLU CA C 66 58.023 56.313 1.710 1
1 786 . 5 1 1 A 66 66 GLU CB C 66 29.857 30.449 -0.592 1
1 788 . 5 1 1 A 66 66 GLU N N 66 122.201 115.422 6.779 1
1 789 . 5 1 1 A 67 67 GLY H H 67 8.376 7.916 0.460 1
1 790 . 5 1 1 A 67 67 GLY HA2 H 67 3.834 3.961 -0.127 1
1 791 . 5 1 1 A 67 67 GLY HA3 H 67 3.834 3.961 -0.127 1
1 792 . 5 1 1 A 67 67 GLY C C 67 173.071 175.213 -2.142 1
1 793 . 5 1 1 A 67 67 GLY CA C 67 45.871 46.433 -0.562 1
1 794 . 5 1 1 A 67 67 GLY N N 67 109.499 108.505 0.994 1
1 795 . 5 1 1 A 68 68 ARG H H 68 8.011 7.997 0.014 1
1 796 . 5 1 1 A 68 68 ARG HA H 68 4.482 3.993 0.489 1
1 808 . 5 1 1 A 68 68 ARG C C 68 177.494 178.320 -0.826 1
1 809 . 5 1 1 A 68 68 ARG CA C 68 57.574 59.200 -1.626 1
1 810 . 5 1 1 A 68 68 ARG CB C 68 30.325 30.085 0.240 1
1 813 . 5 1 1 A 68 68 ARG N N 68 122.501 121.655 0.846 1
1 815 . 5 1 1 A 69 69 LYS H H 69 7.986 8.004 -0.018 1
1 816 . 5 1 1 A 69 69 LYS HA H 69 4.150 4.086 0.064 1
1 825 . 5 1 1 A 69 69 LYS C C 69 178.168 179.135 -0.967 1
1 826 . 5 1 1 A 69 69 LYS CA C 69 57.781 58.367 -0.586 1
1 827 . 5 1 1 A 69 69 LYS CB C 69 32.705 32.135 0.570 1
1 831 . 5 1 1 A 69 69 LYS N N 69 120.934 118.074 2.860 1
1 832 . 5 1 1 A 70 70 VAL H H 70 7.848 8.580 -0.732 1
1 833 . 5 1 1 A 70 70 VAL HA H 70 4.088 3.695 0.393 1
1 841 . 5 1 1 A 70 70 VAL C C 70 175.998 177.884 -1.886 1
1 842 . 5 1 1 A 70 70 VAL CA C 70 64.206 66.282 -2.076 1
1 843 . 5 1 1 A 70 70 VAL CB C 70 31.873 31.691 0.182 1
1 846 . 5 1 1 A 70 70 VAL N N 70 120.324 119.878 0.446 1
1 847 . 5 1 1 A 71 71 ALA H H 71 8.300 8.301 -0.001 1
1 848 . 5 1 1 A 71 71 ALA HA H 71 4.221 4.079 0.142 1
1 852 . 5 1 1 A 71 71 ALA C C 71 178.225 179.372 -1.147 1
1 853 . 5 1 1 A 71 71 ALA CA C 71 53.106 55.605 -2.499 1
1 854 . 5 1 1 A 71 71 ALA CB C 71 19.128 18.322 0.806 1
1 855 . 5 1 1 A 71 71 ALA N N 71 127.025 122.191 4.834 1
1 856 . 5 1 1 A 72 72 GLU H H 72 8.181 8.153 0.028 1
1 857 . 5 1 1 A 72 72 GLU HA H 72 4.219 4.006 0.213 1
1 862 . 5 1 1 A 72 72 GLU C C 72 176.779 179.037 -2.258 1
1 863 . 5 1 1 A 72 72 GLU CA C 72 56.776 59.656 -2.880 1
1 864 . 5 1 1 A 72 72 GLU CB C 72 28.610 29.068 -0.458 1
1 866 . 5 1 1 A 72 72 GLU N N 72 123.008 118.309 4.699 1
1 867 . 5 1 1 A 73 73 GLN H H 73 8.132 7.748 0.384 1
1 868 . 5 1 1 A 73 73 GLN HA H 73 4.141 4.131 0.010 1
1 875 . 5 1 1 A 73 73 GLN C C 73 175.803 178.413 -2.610 1
1 876 . 5 1 1 A 73 73 GLN CA C 73 56.456 58.441 -1.985 1
1 877 . 5 1 1 A 73 73 GLN CB C 73 28.290 28.036 0.254 1
1 879 . 5 1 1 A 73 73 GLN N N 73 120.564 119.384 1.180 1
1 881 . 5 1 1 A 74 74 VAL H H 74 8.088 7.848 0.240 1
1 882 . 5 1 1 A 74 74 VAL HA H 74 3.986 3.556 0.430 1
1 890 . 5 1 1 A 74 74 VAL C C 74 176.167 177.791 -1.624 1
1 891 . 5 1 1 A 74 74 VAL CA C 74 63.123 66.342 -3.219 1
1 892 . 5 1 1 A 74 74 VAL CB C 74 30.082 31.491 -1.409 1
1 895 . 5 1 1 A 74 74 VAL N N 74 121.828 119.906 1.922 1
1 896 . 5 1 1 A 75 75 MET H H 75 8.167 7.991 0.176 1
1 897 . 5 1 1 A 75 75 MET HA H 75 4.093 3.997 0.096 1
1 903 . 5 1 1 A 75 75 MET C C 75 176.455 178.444 -1.989 1
1 904 . 5 1 1 A 75 75 MET N N 75 123.990 117.260 6.730 1
1 905 . 5 1 1 A 76 76 LYS H H 76 8.287 7.836 0.451 1
1 906 . 5 1 1 A 76 76 LYS HA H 76 4.234 4.026 0.208 1
1 915 . 5 1 1 A 76 76 LYS C C 76 176.220 178.524 -2.304 1
1 916 . 5 1 1 A 76 76 LYS CA C 76 56.765 58.754 -1.989 1
1 917 . 5 1 1 A 76 76 LYS CB C 76 33.055 32.198 0.857 1
1 921 . 5 1 1 A 76 76 LYS N N 76 122.725 120.053 2.672 1
1 922 . 5 1 1 A 77 77 ALA H H 77 8.308 8.149 0.159 1
1 923 . 5 1 1 A 77 77 ALA HA H 77 4.213 3.982 0.231 1
1 927 . 5 1 1 A 77 77 ALA C C 77 178.097 179.929 -1.832 1
1 928 . 5 1 1 A 77 77 ALA CA C 77 52.740 54.965 -2.225 1
1 929 . 5 1 1 A 77 77 ALA CB C 77 19.427 18.391 1.036 1
1 930 . 5 1 1 A 77 77 ALA N N 77 125.316 121.881 3.435 1
1 931 . 5 1 1 A 78 78 GLY H H 78 8.284 7.778 0.506 1
1 932 . 5 1 1 A 78 78 GLY HA2 H 78 3.873 3.240 0.633 1
1 933 . 5 1 1 A 78 78 GLY HA3 H 78 3.873 3.615 0.258 1
1 934 . 5 1 1 A 78 78 GLY C C 78 174.065 175.289 -1.224 1
1 935 . 5 1 1 A 78 78 GLY CA C 78 45.497 47.275 -1.778 1
1 936 . 5 1 1 A 78 78 GLY N N 78 107.778 105.799 1.979 1
1 937 . 5 1 1 A 79 79 ILE H H 79 7.882 8.005 -0.123 1
1 938 . 5 1 1 A 79 79 ILE HA H 79 4.119 3.903 0.216 1
1 948 . 5 1 1 A 79 79 ILE C C 79 176.160 178.454 -2.294 1
1 949 . 5 1 1 A 79 79 ILE CA C 79 61.436 64.251 -2.815 1
1 950 . 5 1 1 A 79 79 ILE CB C 79 38.904 37.526 1.378 1
1 954 . 5 1 1 A 79 79 ILE N N 79 119.794 122.177 -2.383 1
1 955 . 5 1 1 A 80 80 GLU H H 80 8.354 8.382 -0.028 1
1 956 . 5 1 1 A 80 80 GLU HA H 80 4.282 4.053 0.229 1
1 961 . 5 1 1 A 80 80 GLU C C 80 176.174 178.504 -2.330 1
1 962 . 5 1 1 A 80 80 GLU CA C 80 57.178 58.910 -1.732 1
1 963 . 5 1 1 A 80 80 GLU CB C 80 30.019 29.617 0.402 1
1 965 . 5 1 1 A 80 80 GLU N N 80 124.311 121.456 2.855 1
1 966 . 5 1 1 A 81 81 VAL H H 81 8.205 7.763 0.442 1
1 967 . 5 1 1 A 81 81 VAL HA H 81 3.985 3.711 0.274 1
1 975 . 5 1 1 A 81 81 VAL C C 81 175.815 178.081 -2.266 1
1 976 . 5 1 1 A 81 81 VAL CA C 81 62.865 65.351 -2.486 1
1 977 . 5 1 1 A 81 81 VAL CB C 81 32.629 31.453 1.176 1
1 980 . 5 1 1 A 81 81 VAL N N 81 121.106 119.252 1.854 1
1 981 . 5 1 1 A 82 82 PHE H H 82 8.252 7.834 0.418 1
1 982 . 5 1 1 A 82 82 PHE HA H 82 4.551 4.079 0.472 1
1 990 . 5 1 1 A 82 82 PHE C C 82 175.631 177.946 -2.315 1
1 991 . 5 1 1 A 82 82 PHE CA C 82 58.206 61.756 -3.550 1
1 992 . 5 1 1 A 82 82 PHE CB C 82 39.431 38.213 1.218 1
1 993 . 5 1 1 A 82 82 PHE N N 82 123.622 119.779 3.843 1
1 994 . 5 1 1 A 83 83 ALA H H 83 8.184 8.281 -0.097 1
1 995 . 5 1 1 A 83 83 ALA HA H 83 4.230 4.168 0.062 1
1 999 . 5 1 1 A 83 83 ALA C C 83 178.025 180.350 -2.325 1
1 1000 . 5 1 1 A 83 83 ALA CA C 83 52.731 55.033 -2.302 1
1 1001 . 5 1 1 A 83 83 ALA CB C 83 19.359 18.409 0.950 1
1 1002 . 5 1 1 A 83 83 ALA N N 83 125.081 122.556 2.525 1
1 1003 . 5 1 1 A 84 84 LEU H H 84 8.104 7.843 0.261 1
1 1004 . 5 1 1 A 84 84 LEU HA H 84 4.167 4.078 0.089 1
1 1014 . 5 1 1 A 84 84 LEU C C 84 176.390 178.939 -2.549 1
1 1015 . 5 1 1 A 84 84 LEU CA C 84 55.786 57.683 -1.897 1
1 1016 . 5 1 1 A 84 84 LEU CB C 84 42.179 41.559 0.620 1
1 1020 . 5 1 1 A 84 84 LEU N N 84 119.064 120.769 -1.705 1
1 1021 . 5 1 1 A 85 85 VAL H H 85 8.155 7.947 0.208 1
1 1022 . 5 1 1 A 85 85 VAL HA H 85 4.073 3.901 0.172 1
1 1030 . 5 1 1 A 85 85 VAL C C 85 176.521 177.815 -1.294 1
1 1031 . 5 1 1 A 85 85 VAL CA C 85 62.762 65.580 -2.818 1
1 1032 . 5 1 1 A 85 85 VAL CB C 85 32.498 31.528 0.970 1
1 1035 . 5 1 1 A 85 85 VAL N N 85 121.743 119.243 2.500 1
1 1036 . 5 1 1 A 86 86 THR H H 86 8.052 7.751 0.301 1
1 1037 . 5 1 1 A 86 86 THR HA H 86 4.141 3.950 0.191 1
1 1042 . 5 1 1 A 86 86 THR C C 86 174.706 176.460 -1.754 1
1 1043 . 5 1 1 A 86 86 THR CA C 86 62.351 66.220 -3.869 1
1 1044 . 5 1 1 A 86 86 THR CB C 86 69.618 68.368 1.250 1
1 1046 . 5 1 1 A 86 86 THR N N 86 117.693 115.987 1.706 1
1 1047 . 5 1 1 A 87 87 ALA H H 87 8.216 8.111 0.105 1
1 1048 . 5 1 1 A 87 87 ALA HA H 87 4.170 4.101 0.069 1
1 1052 . 5 1 1 A 87 87 ALA C C 87 178.003 179.070 -1.067 1
1 1053 . 5 1 1 A 87 87 ALA CA C 87 52.967 54.277 -1.310 1
1 1054 . 5 1 1 A 87 87 ALA CB C 87 18.326 18.307 0.019 1
1 1055 . 5 1 1 A 87 87 ALA N N 87 126.174 123.124 3.050 1
1 1056 . 5 1 1 A 88 88 ALA H H 88 8.129 8.024 0.105 1
1 1057 . 5 1 1 A 88 88 ALA HA H 88 4.147 3.762 0.385 1
1 1061 . 5 1 1 A 88 88 ALA C C 88 178.246 179.249 -1.003 1
1 1062 . 5 1 1 A 88 88 ALA CA C 88 52.961 53.757 -0.796 1
1 1063 . 5 1 1 A 88 88 ALA CB C 88 19.290 19.396 -0.106 1
1 1064 . 5 1 1 A 88 88 ALA N N 88 122.649 119.304 3.345 1
1 1065 . 5 1 1 A 89 89 LEU H H 89 7.992 7.827 0.165 1
1 1066 . 5 1 1 A 89 89 LEU HA H 89 4.153 4.013 0.140 1
1 1076 . 5 1 1 A 89 89 LEU C C 89 176.375 178.269 -1.894 1
1 1077 . 5 1 1 A 89 89 LEU CA C 89 57.099 57.959 -0.860 1
1 1078 . 5 1 1 A 89 89 LEU CB C 89 42.055 41.269 0.786 1
1 1082 . 5 1 1 A 89 89 LEU N N 89 120.616 119.561 1.055 1
1 1083 . 5 1 1 A 90 90 ALA H H 90 8.168 8.318 -0.150 1
1 1084 . 5 1 1 A 90 90 ALA HA H 90 4.218 4.314 -0.096 1
1 1088 . 5 1 1 A 90 90 ALA C C 90 178.487 177.954 0.533 1
1 1089 . 5 1 1 A 90 90 ALA CA C 90 53.043 53.988 -0.945 1
1 1090 . 5 1 1 A 90 90 ALA CB C 90 19.269 18.447 0.822 1
1 1091 . 5 1 1 A 90 90 ALA N N 90 124.243 120.974 3.269 1
1 1092 . 5 1 1 A 91 91 THR H H 91 7.988 7.805 0.183 1
1 1093 . 5 1 1 A 91 91 THR HA H 91 4.181 4.164 0.017 1
1 1098 . 5 1 1 A 91 91 THR C C 91 174.931 175.555 -0.624 1
1 1099 . 5 1 1 A 91 91 THR CA C 91 62.190 63.118 -0.928 1
1 1100 . 5 1 1 A 91 91 THR CB C 91 69.198 69.279 -0.081 1
1 1102 . 5 1 1 A 91 91 THR N N 91 112.659 112.546 0.113 1
1 1103 . 5 1 1 A 92 92 ASP H H 92 8.254 8.177 0.077 1
1 1104 . 5 1 1 A 92 92 ASP HA H 92 4.541 4.524 0.017 1
1 1107 . 5 1 1 A 92 92 ASP C C 92 175.823 178.219 -2.396 1
1 1108 . 5 1 1 A 92 92 ASP CA C 92 53.570 56.010 -2.440 1
1 1109 . 5 1 1 A 92 92 ASP CB C 92 38.750 40.735 -1.985 1
1 1110 . 5 1 1 A 92 92 ASP N N 92 120.688 121.033 -0.345 1
1 1111 . 5 1 1 A 93 93 PHE H H 93 8.048 8.189 -0.141 1
1 1112 . 5 1 1 A 93 93 PHE HA H 93 4.547 4.412 0.135 1
1 1120 . 5 1 1 A 93 93 PHE C C 93 176.384 177.694 -1.310 1
1 1121 . 5 1 1 A 93 93 PHE CA C 93 58.633 59.681 -1.048 1
1 1122 . 5 1 1 A 93 93 PHE CB C 93 39.451 37.995 1.456 1
1 1123 . 5 1 1 A 93 93 PHE N N 93 120.763 117.532 3.231 1
1 1124 . 5 1 1 A 94 94 VAL H H 94 7.904 7.622 0.282 1
1 1125 . 5 1 1 A 94 94 VAL HA H 94 4.364 2.918 1.446 1
1 1133 . 5 1 1 A 94 94 VAL C C 94 176.851 177.776 -0.925 1
1 1134 . 5 1 1 A 94 94 VAL CA C 94 63.297 65.825 -2.528 1
1 1135 . 5 1 1 A 94 94 VAL CB C 94 29.241 31.020 -1.779 1
1 1138 . 5 1 1 A 94 94 VAL N N 94 121.478 120.581 0.897 1
1 1139 . 5 1 1 A 95 95 ARG H H 95 8.146 7.911 0.235 1
1 1140 . 5 1 1 A 95 95 ARG HA H 95 4.134 3.961 0.173 1
1 1152 . 5 1 1 A 95 95 ARG C C 95 177.395 178.967 -1.572 1
1 1153 . 5 1 1 A 95 95 ARG CA C 95 55.978 59.629 -3.651 1
1 1154 . 5 1 1 A 95 95 ARG CB C 95 31.070 29.821 1.249 1
1 1157 . 5 1 1 A 95 95 ARG N N 95 122.920 119.583 3.337 1
1 1159 . 5 1 1 A 96 96 ARG H H 96 8.313 8.114 0.199 1
1 1160 . 5 1 1 A 96 96 ARG HA H 96 4.180 4.075 0.105 1
1 1172 . 5 1 1 A 96 96 ARG C C 96 176.839 177.945 -1.106 1
1 1173 . 5 1 1 A 96 96 ARG CA C 96 56.831 59.065 -2.234 1
1 1174 . 5 1 1 A 96 96 ARG CB C 96 30.952 29.919 1.033 1
1 1177 . 5 1 1 A 96 96 ARG N N 96 121.064 120.024 1.040 1
1 1179 . 5 1 1 A 97 97 GLU H H 97 8.356 7.204 1.152 1
1 1180 . 5 1 1 A 97 97 GLU HA H 97 4.220 4.441 -0.221 1
1 1185 . 5 1 1 A 97 97 GLU C C 97 176.319 176.538 -0.219 1
1 1186 . 5 1 1 A 97 97 GLU CA C 97 57.408 56.998 0.410 1
1 1187 . 5 1 1 A 97 97 GLU CB C 97 28.610 29.740 -1.130 1
1 1189 . 5 1 1 A 97 97 GLU N N 97 121.754 116.469 5.285 1
1 1190 . 5 1 1 A 98 98 GLU H H 98 8.328 7.677 0.651 1
1 1191 . 5 1 1 A 98 98 GLU HA H 98 4.240 4.601 -0.361 1
1 1196 . 5 1 1 A 98 98 GLU C C 98 176.132 176.805 -0.673 1
1 1197 . 5 1 1 A 98 98 GLU CA C 98 57.666 55.159 2.507 1
1 1198 . 5 1 1 A 98 98 GLU CB C 98 30.045 31.951 -1.906 1
1 1200 . 5 1 1 A 98 98 GLU N N 98 121.414 119.603 1.811 1
1 1201 . 5 1 1 A 99 99 GLU H H 99 8.418 8.855 -0.437 1
1 1202 . 5 1 1 A 99 99 GLU HA H 99 4.299 3.894 0.405 1
1 1207 . 5 1 1 A 99 99 GLU C C 99 177.021 177.009 0.012 1
1 1208 . 5 1 1 A 99 99 GLU CA C 99 57.397 59.341 -1.944 1
1 1209 . 5 1 1 A 99 99 GLU CB C 99 30.309 27.839 2.470 1
1 1211 . 5 1 1 A 99 99 GLU N N 99 121.312 117.019 4.293 1
1 1212 . 5 1 1 A 100 100 ARG H H 100 8.013 8.889 -0.876 1
1 1213 . 5 1 1 A 100 100 ARG HA H 100 4.180 4.052 0.128 1
1 1225 . 5 1 1 A 100 100 ARG C C 100 176.313 178.029 -1.716 1
1 1226 . 5 1 1 A 100 100 ARG CA C 100 57.238 59.290 -2.052 1
1 1227 . 5 1 1 A 100 100 ARG CB C 100 30.298 29.957 0.341 1
1 1230 . 5 1 1 A 100 100 ARG N N 100 121.871 120.127 1.744 1
1 1232 . 5 1 1 A 101 101 ARG H H 101 8.260 7.830 0.430 1
1 1233 . 5 1 1 A 101 101 ARG HA H 101 4.260 4.389 -0.129 1
1 1245 . 5 1 1 A 101 101 ARG C C 101 176.753 176.498 0.255 1
1 1246 . 5 1 1 A 101 101 ARG CA C 101 56.492 55.609 0.883 1
1 1247 . 5 1 1 A 101 101 ARG CB C 101 30.838 30.498 0.340 1
1 1250 . 5 1 1 A 101 101 ARG N N 101 122.019 115.722 6.297 1
1 1252 . 5 1 1 A 102 102 GLY H H 102 8.380 7.931 0.449 1
1 1253 . 5 1 1 A 102 102 GLY HA2 H 102 3.849 3.958 -0.109 1
1 1254 . 5 1 1 A 102 102 GLY HA3 H 102 3.849 3.962 -0.113 1
1 1255 . 5 1 1 A 102 102 GLY C C 102 173.145 174.831 -1.686 1
1 1256 . 5 1 1 A 102 102 GLY CA C 102 45.401 46.474 -1.073 1
1 1257 . 5 1 1 A 102 102 GLY N N 102 110.110 107.930 2.180 1
1 9 . 6 1 1 A 2 2 ALA H H 2 8.742 7.888 0.854 1
1 10 . 6 1 1 A 2 2 ALA HA H 2 4.302 3.865 0.437 1
1 14 . 6 1 1 A 2 2 ALA C C 2 177.216 175.907 1.309 1
1 15 . 6 1 1 A 2 2 ALA CA C 2 52.876 53.115 -0.239 1
1 16 . 6 1 1 A 2 2 ALA CB C 2 19.182 17.088 2.094 1
1 17 . 6 1 1 A 2 2 ALA N N 2 124.657 121.470 3.187 1
1 18 . 6 1 1 A 3 3 ASP H H 3 8.432 8.449 -0.017 1
1 19 . 6 1 1 A 3 3 ASP HA H 3 4.530 4.318 0.212 1
1 22 . 6 1 1 A 3 3 ASP C C 3 176.023 175.566 0.457 1
1 23 . 6 1 1 A 3 3 ASP CA C 3 53.721 55.612 -1.891 1
1 24 . 6 1 1 A 3 3 ASP CB C 3 38.752 39.566 -0.814 1
1 25 . 6 1 1 A 3 3 ASP N N 3 118.729 108.709 10.020 1
1 26 . 6 1 1 A 4 4 HIS H H 4 8.549 7.762 0.787 1
1 27 . 6 1 1 A 4 4 HIS HA H 4 4.568 4.784 -0.216 1
1 32 . 6 1 1 A 4 4 HIS C C 4 175.101 176.593 -1.492 1
1 33 . 6 1 1 A 4 4 HIS CA C 4 56.640 55.968 0.672 1
1 34 . 6 1 1 A 4 4 HIS CB C 4 28.961 31.911 -2.950 1
1 37 . 6 1 1 A 4 4 HIS N N 4 119.650 112.100 7.550 1
1 38 . 6 1 1 A 5 5 GLU H H 5 8.330 7.976 0.354 1
1 39 . 6 1 1 A 5 5 GLU HA H 5 4.207 3.990 0.217 1
1 44 . 6 1 1 A 5 5 GLU C C 5 175.749 178.553 -2.804 1
1 45 . 6 1 1 A 5 5 GLU CA C 5 56.594 59.666 -3.072 1
1 46 . 6 1 1 A 5 5 GLU CB C 5 29.285 29.145 0.140 1
1 48 . 6 1 1 A 5 5 GLU N N 5 120.937 120.156 0.781 1
1 49 . 6 1 1 A 6 6 ARG H H 6 8.325 7.730 0.595 1
1 50 . 6 1 1 A 6 6 ARG HA H 6 4.571 4.016 0.555 1
1 62 . 6 1 1 A 6 6 ARG C C 6 177.578 178.181 -0.603 1
1 63 . 6 1 1 A 6 6 ARG CA C 6 56.716 59.218 -2.502 1
1 64 . 6 1 1 A 6 6 ARG CB C 6 30.744 29.727 1.017 1
1 67 . 6 1 1 A 6 6 ARG N N 6 120.267 119.933 0.334 1
1 69 . 6 1 1 A 7 7 GLU H H 7 8.136 7.960 0.176 1
1 70 . 6 1 1 A 7 7 GLU HA H 7 4.165 4.126 0.039 1
1 75 . 6 1 1 A 7 7 GLU C C 7 177.156 178.390 -1.234 1
1 76 . 6 1 1 A 7 7 GLU CA C 7 57.125 58.942 -1.817 1
1 77 . 6 1 1 A 7 7 GLU CB C 7 30.149 29.126 1.023 1
1 79 . 6 1 1 A 7 7 GLU N N 7 121.008 119.106 1.902 1
1 80 . 6 1 1 A 8 8 ALA H H 8 8.325 8.440 -0.115 1
1 81 . 6 1 1 A 8 8 ALA HA H 8 4.212 4.118 0.094 1
1 85 . 6 1 1 A 8 8 ALA C C 8 178.913 179.587 -0.674 1
1 86 . 6 1 1 A 8 8 ALA CA C 8 52.832 55.268 -2.436 1
1 87 . 6 1 1 A 8 8 ALA CB C 8 18.909 18.307 0.602 1
1 88 . 6 1 1 A 8 8 ALA N N 8 124.538 122.531 2.007 1
1 89 . 6 1 1 A 9 9 GLN H H 9 8.159 8.001 0.158 1
1 90 . 6 1 1 A 9 9 GLN HA H 9 4.140 4.191 -0.051 1
1 97 . 6 1 1 A 9 9 GLN C C 9 175.771 178.594 -2.823 1
1 98 . 6 1 1 A 9 9 GLN CA C 9 57.655 57.793 -0.138 1
1 99 . 6 1 1 A 9 9 GLN CB C 9 28.606 27.502 1.104 1
1 101 . 6 1 1 A 9 9 GLN N N 9 124.103 115.884 8.219 1
1 103 . 6 1 1 A 10 10 LYS H H 10 8.148 7.875 0.273 1
1 104 . 6 1 1 A 10 10 LYS HA H 10 4.204 4.130 0.074 1
1 113 . 6 1 1 A 10 10 LYS C C 10 177.798 178.343 -0.545 1
1 114 . 6 1 1 A 10 10 LYS CA C 10 57.139 58.503 -1.364 1
1 115 . 6 1 1 A 10 10 LYS CB C 10 33.040 32.057 0.983 1
1 119 . 6 1 1 A 10 10 LYS N N 10 120.635 120.766 -0.131 1
1 120 . 6 1 1 A 11 11 ALA H H 11 8.148 8.273 -0.125 1
1 121 . 6 1 1 A 11 11 ALA HA H 11 4.140 4.013 0.127 1
1 125 . 6 1 1 A 11 11 ALA C C 11 178.173 180.117 -1.944 1
1 126 . 6 1 1 A 11 11 ALA CA C 11 53.351 54.998 -1.647 1
1 127 . 6 1 1 A 11 11 ALA CB C 11 19.128 18.298 0.830 1
1 128 . 6 1 1 A 11 11 ALA N N 11 123.171 122.502 0.669 1
1 129 . 6 1 1 A 12 12 GLU H H 12 8.248 7.896 0.352 1
1 130 . 6 1 1 A 12 12 GLU HA H 12 4.222 4.079 0.143 1
1 135 . 6 1 1 A 12 12 GLU C C 12 176.385 179.373 -2.988 1
1 136 . 6 1 1 A 12 12 GLU CA C 12 57.442 59.703 -2.261 1
1 137 . 6 1 1 A 12 12 GLU CB C 12 30.001 29.324 0.677 1
1 139 . 6 1 1 A 12 12 GLU N N 12 119.451 118.064 1.387 1
1 140 . 6 1 1 A 13 13 GLU H H 13 8.372 7.953 0.419 1
1 141 . 6 1 1 A 13 13 GLU HA H 13 4.265 4.134 0.131 1
1 146 . 6 1 1 A 13 13 GLU C C 13 178.060 179.539 -1.479 1
1 147 . 6 1 1 A 13 13 GLU CA C 13 56.828 59.091 -2.263 1
1 148 . 6 1 1 A 13 13 GLU CB C 13 30.082 29.196 0.886 1
1 150 . 6 1 1 A 13 13 GLU N N 13 121.080 120.094 0.986 1
1 151 . 6 1 1 A 14 14 GLU H H 14 8.152 7.649 0.503 1
1 152 . 6 1 1 A 14 14 GLU HA H 14 4.142 4.162 -0.020 1
1 157 . 6 1 1 A 14 14 GLU C C 14 176.274 178.975 -2.701 1
1 158 . 6 1 1 A 14 14 GLU CA C 14 56.892 58.899 -2.007 1
1 159 . 6 1 1 A 14 14 GLU CB C 14 28.169 29.444 -1.275 1
1 161 . 6 1 1 A 14 14 GLU N N 14 120.236 120.396 -0.160 1
1 162 . 6 1 1 A 15 15 LEU H H 15 8.301 7.740 0.561 1
1 163 . 6 1 1 A 15 15 LEU HA H 15 4.224 4.041 0.183 1
1 173 . 6 1 1 A 15 15 LEU C C 15 177.983 178.694 -0.711 1
1 174 . 6 1 1 A 15 15 LEU CA C 15 56.344 57.599 -1.255 1
1 175 . 6 1 1 A 15 15 LEU CB C 15 42.250 41.641 0.609 1
1 179 . 6 1 1 A 15 15 LEU N N 15 123.072 121.069 2.003 1
1 180 . 6 1 1 A 16 16 GLN H H 16 8.132 8.142 -0.010 1
1 181 . 6 1 1 A 16 16 GLN HA H 16 4.145 3.926 0.219 1
1 188 . 6 1 1 A 16 16 GLN C C 16 177.674 178.791 -1.117 1
1 189 . 6 1 1 A 16 16 GLN CA C 16 57.971 59.491 -1.520 1
1 190 . 6 1 1 A 16 16 GLN CB C 16 29.889 28.298 1.591 1
1 192 . 6 1 1 A 16 16 GLN N N 16 119.160 118.268 0.892 1
1 194 . 6 1 1 A 17 17 LYS H H 17 8.214 7.677 0.537 1
1 195 . 6 1 1 A 17 17 LYS HA H 17 4.140 4.100 0.040 1
1 204 . 6 1 1 A 17 17 LYS C C 17 177.646 178.929 -1.283 1
1 205 . 6 1 1 A 17 17 LYS CA C 17 57.115 59.335 -2.220 1
1 206 . 6 1 1 A 17 17 LYS CB C 17 32.833 31.915 0.918 1
1 210 . 6 1 1 A 17 17 LYS N N 17 120.310 118.921 1.389 1
1 211 . 6 1 1 A 18 18 VAL H H 18 7.871 7.662 0.209 1
1 212 . 6 1 1 A 18 18 VAL HA H 18 4.108 3.572 0.536 1
1 220 . 6 1 1 A 18 18 VAL C C 18 177.476 178.241 -0.765 1
1 221 . 6 1 1 A 18 18 VAL CA C 18 63.634 66.125 -2.491 1
1 222 . 6 1 1 A 18 18 VAL CB C 18 31.886 31.542 0.344 1
1 225 . 6 1 1 A 18 18 VAL N N 18 120.571 120.567 0.004 1
1 226 . 6 1 1 A 19 19 LEU H H 19 8.180 8.102 0.078 1
1 227 . 6 1 1 A 19 19 LEU HA H 19 4.042 3.994 0.048 1
1 237 . 6 1 1 A 19 19 LEU C C 19 179.462 179.205 0.257 1
1 238 . 6 1 1 A 19 19 LEU CA C 19 57.653 57.960 -0.307 1
1 239 . 6 1 1 A 19 19 LEU CB C 19 41.800 41.052 0.748 1
1 243 . 6 1 1 A 19 19 LEU N N 19 122.936 118.466 4.470 1
1 244 . 6 1 1 A 20 20 GLU H H 20 8.122 7.850 0.272 1
1 245 . 6 1 1 A 20 20 GLU HA H 20 4.156 4.050 0.106 1
1 250 . 6 1 1 A 20 20 GLU C C 20 178.001 179.586 -1.585 1
1 251 . 6 1 1 A 20 20 GLU CA C 20 58.045 59.691 -1.646 1
1 252 . 6 1 1 A 20 20 GLU CB C 20 30.092 29.258 0.834 1
1 254 . 6 1 1 A 20 20 GLU N N 20 118.745 119.590 -0.845 1
1 255 . 6 1 1 A 21 21 GLU H H 21 8.190 8.120 0.070 1
1 256 . 6 1 1 A 21 21 GLU HA H 21 4.144 4.120 0.024 1
1 261 . 6 1 1 A 21 21 GLU C C 21 177.290 179.128 -1.838 1
1 262 . 6 1 1 A 21 21 GLU CA C 21 58.109 59.013 -0.904 1
1 263 . 6 1 1 A 21 21 GLU CB C 21 29.868 29.905 -0.037 1
1 265 . 6 1 1 A 21 21 GLU N N 21 119.542 120.711 -1.169 1
1 266 . 6 1 1 A 22 22 ALA H H 22 8.092 8.179 -0.087 1
1 267 . 6 1 1 A 22 22 ALA HA H 22 4.173 4.160 0.013 1
1 271 . 6 1 1 A 22 22 ALA C C 22 179.020 179.905 -0.885 1
1 272 . 6 1 1 A 22 22 ALA CA C 22 53.944 54.892 -0.948 1
1 273 . 6 1 1 A 22 22 ALA CB C 22 18.578 18.308 0.270 1
1 274 . 6 1 1 A 22 22 ALA N N 22 123.378 123.533 -0.155 1
1 275 . 6 1 1 A 23 23 SER H H 23 8.079 8.105 -0.026 1
1 276 . 6 1 1 A 23 23 SER HA H 23 4.300 4.425 -0.125 1
1 279 . 6 1 1 A 23 23 SER C C 23 173.125 176.142 -3.017 1
1 280 . 6 1 1 A 23 23 SER CA C 23 59.414 61.540 -2.126 1
1 281 . 6 1 1 A 23 23 SER CB C 23 63.520 63.116 0.404 1
1 282 . 6 1 1 A 23 23 SER N N 23 114.637 114.571 0.066 1
1 283 . 6 1 1 A 24 24 LYS H H 24 8.032 7.782 0.250 1
1 284 . 6 1 1 A 24 24 LYS HA H 24 4.325 4.210 0.115 1
1 293 . 6 1 1 A 24 24 LYS C C 24 175.423 179.002 -3.579 1
1 294 . 6 1 1 A 24 24 LYS CA C 24 57.273 59.407 -2.134 1
1 295 . 6 1 1 A 24 24 LYS CB C 24 31.200 32.039 -0.839 1
1 299 . 6 1 1 A 24 24 LYS N N 24 122.635 120.887 1.748 1
1 300 . 6 1 1 A 25 25 LYS H H 25 8.042 7.633 0.409 1
1 301 . 6 1 1 A 25 25 LYS HA H 25 4.169 4.100 0.069 1
1 310 . 6 1 1 A 25 25 LYS C C 25 177.025 179.135 -2.110 1
1 311 . 6 1 1 A 25 25 LYS CA C 25 56.876 59.628 -2.752 1
1 312 . 6 1 1 A 25 25 LYS CB C 25 31.200 32.334 -1.134 1
1 316 . 6 1 1 A 25 25 LYS N N 25 121.079 119.452 1.627 1
1 317 . 6 1 1 A 26 26 ALA H H 26 8.103 8.580 -0.477 1
1 318 . 6 1 1 A 26 26 ALA HA H 26 4.196 4.039 0.157 1
1 322 . 6 1 1 A 26 26 ALA C C 26 178.418 179.777 -1.359 1
1 323 . 6 1 1 A 26 26 ALA CA C 26 53.049 55.220 -2.171 1
1 324 . 6 1 1 A 26 26 ALA CB C 26 19.055 18.559 0.496 1
1 325 . 6 1 1 A 26 26 ALA N N 26 124.589 122.758 1.831 1
1 326 . 6 1 1 A 27 27 VAL H H 27 8.030 7.875 0.155 1
1 327 . 6 1 1 A 27 27 VAL HA H 27 3.945 3.769 0.176 1
1 335 . 6 1 1 A 27 27 VAL C C 27 179.177 177.367 1.810 1
1 336 . 6 1 1 A 27 27 VAL CA C 27 63.001 64.704 -1.703 1
1 337 . 6 1 1 A 27 27 VAL CB C 27 32.449 31.412 1.037 1
1 340 . 6 1 1 A 27 27 VAL N N 27 119.340 116.439 2.901 1
1 341 . 6 1 1 A 28 28 GLU H H 28 8.187 7.873 0.314 1
1 342 . 6 1 1 A 28 28 GLU HA H 28 4.166 3.998 0.168 1
1 347 . 6 1 1 A 28 28 GLU C C 28 176.411 178.374 -1.963 1
1 348 . 6 1 1 A 28 28 GLU CA C 28 57.290 59.087 -1.797 1
1 349 . 6 1 1 A 28 28 GLU CB C 28 30.025 29.379 0.646 1
1 351 . 6 1 1 A 28 28 GLU N N 28 120.351 120.947 -0.596 1
1 352 . 6 1 1 A 29 29 ALA H H 29 8.173 8.826 -0.653 1
1 353 . 6 1 1 A 29 29 ALA HA H 29 4.230 4.061 0.169 1
1 357 . 6 1 1 A 29 29 ALA C C 29 176.924 178.978 -2.054 1
1 358 . 6 1 1 A 29 29 ALA CA C 29 53.338 55.413 -2.075 1
1 359 . 6 1 1 A 29 29 ALA CB C 29 18.964 18.226 0.738 1
1 360 . 6 1 1 A 29 29 ALA N N 29 124.463 122.195 2.268 1
1 361 . 6 1 1 A 30 30 GLU H H 30 8.239 8.505 -0.266 1
1 362 . 6 1 1 A 30 30 GLU HA H 30 4.251 3.967 0.284 1
1 367 . 6 1 1 A 30 30 GLU C C 30 175.016 177.327 -2.311 1
1 368 . 6 1 1 A 30 30 GLU CA C 30 58.033 59.531 -1.498 1
1 369 . 6 1 1 A 30 30 GLU CB C 30 29.996 29.249 0.747 1
1 371 . 6 1 1 A 30 30 GLU N N 30 122.971 119.036 3.935 1
1 372 . 6 1 1 A 31 31 ARG H H 31 8.261 8.021 0.240 1
1 373 . 6 1 1 A 31 31 ARG HA H 31 4.255 4.184 0.071 1
1 385 . 6 1 1 A 31 31 ARG C C 31 176.727 176.721 0.006 1
1 386 . 6 1 1 A 31 31 ARG CA C 31 56.565 56.929 -0.364 1
1 387 . 6 1 1 A 31 31 ARG CB C 31 30.783 30.281 0.502 1
1 390 . 6 1 1 A 31 31 ARG N N 31 121.894 119.636 2.258 1
1 392 . 6 1 1 A 32 32 GLY H H 32 8.302 8.257 0.045 1
1 393 . 6 1 1 A 32 32 GLY HA2 H 32 3.852 4.033 -0.181 1
1 394 . 6 1 1 A 32 32 GLY HA3 H 32 3.852 4.033 -0.181 1
1 395 . 6 1 1 A 32 32 GLY C C 32 173.994 174.647 -0.653 1
1 396 . 6 1 1 A 32 32 GLY CA C 32 45.077 45.315 -0.238 1
1 397 . 6 1 1 A 32 32 GLY N N 32 109.773 113.804 -4.031 1
1 398 . 6 1 1 A 33 33 ALA H H 33 8.011 7.813 0.198 1
1 399 . 6 1 1 A 33 33 ALA HA H 33 4.212 4.512 -0.300 1
1 403 . 6 1 1 A 33 33 ALA CA C 33 50.522 50.675 -0.153 1
1 404 . 6 1 1 A 33 33 ALA CB C 33 18.962 19.398 -0.436 1
1 405 . 6 1 1 A 33 33 ALA N N 33 123.601 124.364 -0.763 1
1 406 . 6 1 1 A 34 34 PRO HA H 34 4.352 4.370 -0.018 1
1 413 . 6 1 1 A 34 34 PRO C C 34 177.746 177.546 0.200 1
1 414 . 6 1 1 A 34 34 PRO CA C 34 63.520 63.657 -0.137 1
1 415 . 6 1 1 A 34 34 PRO CB C 34 31.938 31.198 0.740 1
1 418 . 6 1 1 A 35 35 GLY H H 35 8.433 8.910 -0.477 1
1 419 . 6 1 1 A 35 35 GLY HA2 H 35 3.848 3.909 -0.061 1
1 420 . 6 1 1 A 35 35 GLY HA3 H 35 3.848 3.918 -0.070 1
1 421 . 6 1 1 A 35 35 GLY C C 35 173.266 174.590 -1.324 1
1 422 . 6 1 1 A 35 35 GLY CA C 35 45.405 45.140 0.265 1
1 423 . 6 1 1 A 35 35 GLY N N 35 109.298 112.676 -3.378 1
1 424 . 6 1 1 A 36 36 ALA H H 36 8.095 7.437 0.658 1
1 425 . 6 1 1 A 36 36 ALA HA H 36 4.196 4.239 -0.043 1
1 429 . 6 1 1 A 36 36 ALA C C 36 177.944 177.039 0.905 1
1 430 . 6 1 1 A 36 36 ALA CA C 36 52.551 52.506 0.045 1
1 431 . 6 1 1 A 36 36 ALA CB C 36 19.485 19.787 -0.302 1
1 432 . 6 1 1 A 36 36 ALA N N 36 124.605 122.789 1.816 1
1 433 . 6 1 1 A 37 37 ALA H H 37 8.199 9.031 -0.832 1
1 434 . 6 1 1 A 37 37 ALA HA H 37 4.491 4.229 0.262 1
1 438 . 6 1 1 A 37 37 ALA C C 37 177.456 176.786 0.670 1
1 439 . 6 1 1 A 37 37 ALA CA C 37 52.453 53.453 -1.000 1
1 440 . 6 1 1 A 37 37 ALA CB C 37 19.060 19.982 -0.922 1
1 441 . 6 1 1 A 37 37 ALA N N 37 123.695 124.368 -0.673 1
1 442 . 6 1 1 A 38 38 LEU H H 38 8.099 7.770 0.329 1
1 443 . 6 1 1 A 38 38 LEU HA H 38 4.243 4.362 -0.119 1
1 453 . 6 1 1 A 38 38 LEU C C 38 177.358 176.547 0.811 1
1 454 . 6 1 1 A 38 38 LEU CA C 38 55.218 53.778 1.440 1
1 455 . 6 1 1 A 38 38 LEU CB C 38 42.228 42.108 0.120 1
1 459 . 6 1 1 A 38 38 LEU N N 38 121.531 115.102 6.429 1
1 460 . 6 1 1 A 39 39 ILE H H 39 7.966 8.422 -0.456 1
1 461 . 6 1 1 A 39 39 ILE HA H 39 4.136 4.543 -0.407 1
1 471 . 6 1 1 A 39 39 ILE C C 39 175.586 175.186 0.400 1
1 472 . 6 1 1 A 39 39 ILE CA C 39 60.873 59.684 1.189 1
1 473 . 6 1 1 A 39 39 ILE CB C 39 38.727 40.180 -1.453 1
1 477 . 6 1 1 A 39 39 ILE N N 39 121.669 121.911 -0.242 1
1 478 . 6 1 1 A 40 40 SER H H 40 8.101 8.588 -0.487 1
1 479 . 6 1 1 A 40 40 SER HA H 40 4.347 4.527 -0.180 1
1 482 . 6 1 1 A 40 40 SER C C 40 173.336 173.747 -0.411 1
1 483 . 6 1 1 A 40 40 SER CA C 40 57.331 60.079 -2.748 1
1 484 . 6 1 1 A 40 40 SER CB C 40 63.983 62.149 1.834 1
1 485 . 6 1 1 A 40 40 SER N N 40 119.591 116.481 3.110 1
1 486 . 6 1 1 A 41 41 TYR H H 41 8.100 8.801 -0.701 1
1 487 . 6 1 1 A 41 41 TYR HA H 41 4.436 4.273 0.163 1
1 494 . 6 1 1 A 41 41 TYR CA C 41 56.067 62.459 -6.392 1
1 495 . 6 1 1 A 41 41 TYR CB C 41 38.244 38.525 -0.281 1
1 496 . 6 1 1 A 41 41 TYR N N 41 122.744 123.578 -0.834 1
1 497 . 6 1 1 A 42 42 PRO HA H 42 4.281 4.084 0.197 1
1 504 . 6 1 1 A 42 42 PRO C C 42 176.765 177.371 -0.606 1
1 505 . 6 1 1 A 42 42 PRO CA C 42 63.650 64.700 -1.050 1
1 506 . 6 1 1 A 42 42 PRO CB C 42 30.513 31.226 -0.713 1
1 509 . 6 1 1 A 43 43 ASP H H 43 8.305 8.417 -0.112 1
1 510 . 6 1 1 A 43 43 ASP HA H 43 4.548 4.389 0.159 1
1 513 . 6 1 1 A 43 43 ASP C C 43 175.135 178.176 -3.041 1
1 514 . 6 1 1 A 43 43 ASP CA C 43 53.570 56.228 -2.658 1
1 515 . 6 1 1 A 43 43 ASP CB C 43 38.450 41.330 -2.880 1
1 516 . 6 1 1 A 43 43 ASP N N 43 118.052 117.250 0.802 1
1 517 . 6 1 1 A 44 44 ALA H H 44 8.013 8.234 -0.221 1
1 518 . 6 1 1 A 44 44 ALA HA H 44 4.106 4.184 -0.078 1
1 522 . 6 1 1 A 44 44 ALA C C 44 177.969 180.121 -2.152 1
1 523 . 6 1 1 A 44 44 ALA CA C 44 52.867 55.377 -2.510 1
1 524 . 6 1 1 A 44 44 ALA CB C 44 19.023 17.934 1.089 1
1 525 . 6 1 1 A 44 44 ALA N N 44 123.344 122.659 0.685 1
1 526 . 6 1 1 A 45 45 ILE H H 45 7.860 7.845 0.015 1
1 527 . 6 1 1 A 45 45 ILE HA H 45 3.855 4.159 -0.304 1
1 537 . 6 1 1 A 45 45 ILE C C 45 176.287 177.696 -1.409 1
1 538 . 6 1 1 A 45 45 ILE CA C 45 61.465 63.941 -2.476 1
1 539 . 6 1 1 A 45 45 ILE CB C 45 38.294 37.477 0.817 1
1 543 . 6 1 1 A 45 45 ILE N N 45 118.636 118.733 -0.097 1
1 544 . 6 1 1 A 46 46 TRP H H 46 7.646 8.007 -0.361 1
1 545 . 6 1 1 A 46 46 TRP HA H 46 4.504 4.228 0.276 1
1 554 . 6 1 1 A 46 46 TRP C C 46 176.136 179.334 -3.198 1
1 555 . 6 1 1 A 46 46 TRP CA C 46 57.139 60.038 -2.899 1
1 556 . 6 1 1 A 46 46 TRP CB C 46 28.880 29.328 -0.448 1
1 558 . 6 1 1 A 46 46 TRP N N 46 122.947 121.981 0.966 1
1 560 . 6 1 1 A 47 47 TRP H H 47 7.502 8.069 -0.567 1
1 561 . 6 1 1 A 47 47 TRP HA H 47 4.482 4.382 0.100 1
1 570 . 6 1 1 A 47 47 TRP C C 47 176.149 178.319 -2.170 1
1 571 . 6 1 1 A 47 47 TRP CA C 47 57.197 60.877 -3.680 1
1 572 . 6 1 1 A 47 47 TRP CB C 47 29.703 29.382 0.321 1
1 573 . 6 1 1 A 47 47 TRP N N 47 120.943 122.351 -1.408 1
1 575 . 6 1 1 A 48 48 SER H H 48 7.861 8.512 -0.651 1
1 576 . 6 1 1 A 48 48 SER HA H 48 4.258 3.970 0.288 1
1 579 . 6 1 1 A 48 48 SER C C 48 174.600 176.329 -1.729 1
1 580 . 6 1 1 A 48 48 SER CA C 48 57.844 61.925 -4.081 1
1 581 . 6 1 1 A 48 48 SER CB C 48 64.102 62.994 1.108 1
1 582 . 6 1 1 A 48 48 SER N N 48 116.339 115.974 0.365 1
1 583 . 6 1 1 A 49 49 VAL H H 49 7.921 7.811 0.110 1
1 584 . 6 1 1 A 49 49 VAL HA H 49 3.990 3.398 0.592 1
1 592 . 6 1 1 A 49 49 VAL C C 49 176.402 178.054 -1.652 1
1 593 . 6 1 1 A 49 49 VAL CA C 49 62.909 67.172 -4.263 1
1 594 . 6 1 1 A 49 49 VAL CB C 49 32.467 31.401 1.066 1
1 597 . 6 1 1 A 49 49 VAL N N 49 121.079 121.744 -0.665 1
1 598 . 6 1 1 A 50 50 GLU H H 50 8.229 8.101 0.128 1
1 599 . 6 1 1 A 50 50 GLU HA H 50 4.307 3.944 0.363 1
1 604 . 6 1 1 A 50 50 GLU C C 50 176.506 179.048 -2.542 1
1 605 . 6 1 1 A 50 50 GLU CA C 50 57.040 59.355 -2.315 1
1 606 . 6 1 1 A 50 50 GLU CB C 50 30.123 29.316 0.807 1
1 608 . 6 1 1 A 50 50 GLU N N 50 122.433 119.108 3.325 1
1 609 . 6 1 1 A 51 51 THR H H 51 7.993 8.107 -0.114 1
1 610 . 6 1 1 A 51 51 THR HA H 51 4.248 3.675 0.573 1
1 615 . 6 1 1 A 51 51 THR C C 51 174.430 176.505 -2.075 1
1 616 . 6 1 1 A 51 51 THR CA C 51 62.227 65.567 -3.340 1
1 617 . 6 1 1 A 51 51 THR CB C 51 69.712 68.155 1.557 1
1 619 . 6 1 1 A 51 51 THR N N 51 114.413 114.923 -0.510 1
1 620 . 6 1 1 A 52 52 ALA H H 52 8.160 8.195 -0.035 1
1 621 . 6 1 1 A 52 52 ALA HA H 52 4.212 4.102 0.110 1
1 625 . 6 1 1 A 52 52 ALA C C 52 177.976 179.384 -1.408 1
1 626 . 6 1 1 A 52 52 ALA CA C 52 53.069 55.257 -2.188 1
1 627 . 6 1 1 A 52 52 ALA CB C 52 19.178 18.382 0.796 1
1 628 . 6 1 1 A 52 52 ALA N N 52 125.641 122.730 2.911 1
1 629 . 6 1 1 A 53 53 THR H H 53 8.022 7.707 0.315 1
1 630 . 6 1 1 A 53 53 THR HA H 53 4.231 4.649 -0.418 1
1 635 . 6 1 1 A 53 53 THR C C 53 174.750 174.310 0.440 1
1 636 . 6 1 1 A 53 53 THR CA C 53 62.231 62.704 -0.473 1
1 637 . 6 1 1 A 53 53 THR CB C 53 69.726 69.180 0.546 1
1 639 . 6 1 1 A 53 53 THR N N 53 112.100 112.120 -0.020 1
1 640 . 6 1 1 A 54 54 THR H H 54 7.999 8.098 -0.099 1
1 641 . 6 1 1 A 54 54 THR HA H 54 4.303 4.296 0.007 1
1 646 . 6 1 1 A 54 54 THR C C 54 174.592 173.984 0.608 1
1 647 . 6 1 1 A 54 54 THR CA C 54 62.002 63.406 -1.404 1
1 648 . 6 1 1 A 54 54 THR CB C 54 69.793 68.875 0.918 1
1 650 . 6 1 1 A 54 54 THR N N 54 116.238 115.024 1.214 1
1 651 . 6 1 1 A 55 55 VAL H H 55 8.098 8.779 -0.681 1
1 652 . 6 1 1 A 55 55 VAL HA H 55 4.017 3.738 0.279 1
1 660 . 6 1 1 A 55 55 VAL C C 55 176.453 176.298 0.155 1
1 661 . 6 1 1 A 55 55 VAL CA C 55 62.650 64.881 -2.231 1
1 662 . 6 1 1 A 55 55 VAL CB C 55 32.524 30.307 2.217 1
1 665 . 6 1 1 A 55 55 VAL N N 55 122.445 120.305 2.140 1
1 666 . 6 1 1 A 56 56 GLY H H 56 8.308 8.433 -0.125 1
1 667 . 6 1 1 A 56 56 GLY HA2 H 56 3.839 3.945 -0.106 1
1 668 . 6 1 1 A 56 56 GLY HA3 H 56 4.019 3.960 0.059 1
1 669 . 6 1 1 A 56 56 GLY C C 56 173.958 174.677 -0.719 1
1 670 . 6 1 1 A 56 56 GLY CA C 56 45.216 46.718 -1.502 1
1 671 . 6 1 1 A 56 56 GLY N N 56 112.118 108.300 3.818 1
1 672 . 6 1 1 A 57 57 TYR H H 57 8.051 8.199 -0.148 1
1 673 . 6 1 1 A 57 57 TYR HA H 57 4.402 4.314 0.088 1
1 680 . 6 1 1 A 57 57 TYR C C 57 176.557 175.914 0.643 1
1 681 . 6 1 1 A 57 57 TYR CA C 57 58.251 61.221 -2.970 1
1 682 . 6 1 1 A 57 57 TYR CB C 57 38.935 39.496 -0.561 1
1 683 . 6 1 1 A 57 57 TYR N N 57 120.259 121.542 -1.283 1
1 684 . 6 1 1 A 58 58 GLY H H 58 8.335 7.892 0.443 1
1 685 . 6 1 1 A 58 58 GLY HA2 H 58 3.801 4.003 -0.202 1
1 686 . 6 1 1 A 58 58 GLY HA3 H 58 3.801 4.151 -0.350 1
1 687 . 6 1 1 A 58 58 GLY C C 58 173.911 174.857 -0.946 1
1 688 . 6 1 1 A 58 58 GLY CA C 58 45.311 45.072 0.239 1
1 689 . 6 1 1 A 58 58 GLY N N 58 110.220 107.336 2.884 1
1 690 . 6 1 1 A 59 59 ASP H H 59 8.161 8.175 -0.014 1
1 691 . 6 1 1 A 59 59 ASP HA H 59 4.581 4.349 0.232 1
1 694 . 6 1 1 A 59 59 ASP C C 59 175.189 175.398 -0.209 1
1 695 . 6 1 1 A 59 59 ASP CA C 59 53.570 57.443 -3.873 1
1 696 . 6 1 1 A 59 59 ASP CB C 59 38.750 41.789 -3.039 1
1 697 . 6 1 1 A 59 59 ASP N N 59 118.765 121.865 -3.100 1
1 698 . 6 1 1 A 60 60 ARG H H 60 8.086 7.908 0.178 1
1 699 . 6 1 1 A 60 60 ARG HA H 60 4.152 4.611 -0.459 1
1 711 . 6 1 1 A 60 60 ARG C C 60 176.603 174.418 2.185 1
1 712 . 6 1 1 A 60 60 ARG CA C 60 56.825 54.411 2.414 1
1 713 . 6 1 1 A 60 60 ARG CB C 60 30.935 35.053 -4.118 1
1 716 . 6 1 1 A 60 60 ARG N N 60 120.762 116.672 4.090 1
1 718 . 6 1 1 A 61 61 TYR H H 61 8.117 8.323 -0.206 1
1 719 . 6 1 1 A 61 61 TYR HA H 61 4.488 5.476 -0.988 1
1 726 . 6 1 1 A 61 61 TYR CA C 61 56.688 55.827 0.861 1
1 727 . 6 1 1 A 61 61 TYR CB C 61 39.582 40.648 -1.066 1
1 728 . 6 1 1 A 61 61 TYR N N 61 121.714 118.584 3.130 1
1 729 . 6 1 1 A 62 62 PRO HA H 62 4.383 4.681 -0.298 1
1 736 . 6 1 1 A 62 62 PRO C C 62 177.441 176.245 1.196 1
1 737 . 6 1 1 A 62 62 PRO CA C 62 63.212 62.236 0.976 1
1 738 . 6 1 1 A 62 62 PRO CB C 62 31.939 32.566 -0.627 1
1 741 . 6 1 1 A 63 63 VAL H H 63 8.217 8.656 -0.439 1
1 742 . 6 1 1 A 63 63 VAL HA H 63 4.164 4.575 -0.411 1
1 750 . 6 1 1 A 63 63 VAL C C 63 176.576 176.323 0.253 1
1 751 . 6 1 1 A 63 63 VAL CA C 63 62.382 60.070 2.312 1
1 752 . 6 1 1 A 63 63 VAL CB C 63 32.862 34.261 -1.399 1
1 755 . 6 1 1 A 63 63 VAL N N 63 120.316 120.811 -0.495 1
1 756 . 6 1 1 A 64 64 THR H H 64 8.084 8.894 -0.810 1
1 757 . 6 1 1 A 64 64 THR HA H 64 4.313 3.905 0.408 1
1 762 . 6 1 1 A 64 64 THR C C 64 174.558 175.938 -1.380 1
1 763 . 6 1 1 A 64 64 THR CA C 64 62.606 67.114 -4.508 1
1 764 . 6 1 1 A 64 64 THR CB C 64 70.496 68.815 1.681 1
1 766 . 6 1 1 A 64 64 THR N N 64 116.779 120.263 -3.484 1
1 767 . 6 1 1 A 65 65 GLU H H 65 8.404 8.032 0.372 1
1 768 . 6 1 1 A 65 65 GLU HA H 65 4.314 4.159 0.155 1
1 773 . 6 1 1 A 65 65 GLU C C 65 175.016 178.082 -3.066 1
1 774 . 6 1 1 A 65 65 GLU CA C 65 57.750 57.788 -0.038 1
1 775 . 6 1 1 A 65 65 GLU CB C 65 30.083 29.575 0.508 1
1 777 . 6 1 1 A 65 65 GLU N N 65 122.323 120.693 1.630 1
1 778 . 6 1 1 A 66 66 GLU H H 66 8.397 7.592 0.805 1
1 779 . 6 1 1 A 66 66 GLU HA H 66 4.224 4.220 0.004 1
1 784 . 6 1 1 A 66 66 GLU C C 66 176.855 177.058 -0.203 1
1 785 . 6 1 1 A 66 66 GLU CA C 66 58.023 56.220 1.803 1
1 786 . 6 1 1 A 66 66 GLU CB C 66 29.857 30.429 -0.572 1
1 788 . 6 1 1 A 66 66 GLU N N 66 122.201 117.223 4.978 1
1 789 . 6 1 1 A 67 67 GLY H H 67 8.376 7.533 0.843 1
1 790 . 6 1 1 A 67 67 GLY HA2 H 67 3.834 3.958 -0.124 1
1 791 . 6 1 1 A 67 67 GLY HA3 H 67 3.834 3.958 -0.124 1
1 792 . 6 1 1 A 67 67 GLY C C 67 173.071 175.162 -2.091 1
1 793 . 6 1 1 A 67 67 GLY CA C 67 45.871 46.489 -0.618 1
1 794 . 6 1 1 A 67 67 GLY N N 67 109.499 108.550 0.949 1
1 795 . 6 1 1 A 68 68 ARG H H 68 8.011 8.214 -0.203 1
1 796 . 6 1 1 A 68 68 ARG HA H 68 4.482 4.302 0.180 1
1 808 . 6 1 1 A 68 68 ARG C C 68 177.494 177.976 -0.482 1
1 809 . 6 1 1 A 68 68 ARG CA C 68 57.574 58.351 -0.777 1
1 810 . 6 1 1 A 68 68 ARG CB C 68 30.325 30.154 0.171 1
1 813 . 6 1 1 A 68 68 ARG N N 68 122.501 122.088 0.413 1
1 815 . 6 1 1 A 69 69 LYS H H 69 7.986 8.224 -0.238 1
1 816 . 6 1 1 A 69 69 LYS HA H 69 4.150 4.060 0.090 1
1 825 . 6 1 1 A 69 69 LYS C C 69 178.168 179.201 -1.033 1
1 826 . 6 1 1 A 69 69 LYS CA C 69 57.781 58.889 -1.108 1
1 827 . 6 1 1 A 69 69 LYS CB C 69 32.705 32.555 0.150 1
1 831 . 6 1 1 A 69 69 LYS N N 69 120.934 118.328 2.606 1
1 832 . 6 1 1 A 70 70 VAL H H 70 7.848 8.489 -0.641 1
1 833 . 6 1 1 A 70 70 VAL HA H 70 4.088 3.636 0.452 1
1 841 . 6 1 1 A 70 70 VAL C C 70 175.998 177.906 -1.908 1
1 842 . 6 1 1 A 70 70 VAL CA C 70 64.206 66.581 -2.375 1
1 843 . 6 1 1 A 70 70 VAL CB C 70 31.873 31.802 0.071 1
1 846 . 6 1 1 A 70 70 VAL N N 70 120.324 119.970 0.354 1
1 847 . 6 1 1 A 71 71 ALA H H 71 8.300 8.566 -0.266 1
1 848 . 6 1 1 A 71 71 ALA HA H 71 4.221 4.091 0.130 1
1 852 . 6 1 1 A 71 71 ALA C C 71 178.225 178.999 -0.774 1
1 853 . 6 1 1 A 71 71 ALA CA C 71 53.106 55.984 -2.878 1
1 854 . 6 1 1 A 71 71 ALA CB C 71 19.128 18.433 0.695 1
1 855 . 6 1 1 A 71 71 ALA N N 71 127.025 121.460 5.565 1
1 856 . 6 1 1 A 72 72 GLU H H 72 8.181 8.845 -0.664 1
1 857 . 6 1 1 A 72 72 GLU HA H 72 4.219 4.064 0.155 1
1 862 . 6 1 1 A 72 72 GLU C C 72 176.779 178.938 -2.159 1
1 863 . 6 1 1 A 72 72 GLU CA C 72 56.776 59.427 -2.651 1
1 864 . 6 1 1 A 72 72 GLU CB C 72 28.610 29.063 -0.453 1
1 866 . 6 1 1 A 72 72 GLU N N 72 123.008 118.457 4.551 1
1 867 . 6 1 1 A 73 73 GLN H H 73 8.132 7.875 0.257 1
1 868 . 6 1 1 A 73 73 GLN HA H 73 4.141 4.130 0.011 1
1 875 . 6 1 1 A 73 73 GLN C C 73 175.803 178.915 -3.112 1
1 876 . 6 1 1 A 73 73 GLN CA C 73 56.456 58.608 -2.152 1
1 877 . 6 1 1 A 73 73 GLN CB C 73 28.290 28.553 -0.263 1
1 879 . 6 1 1 A 73 73 GLN N N 73 120.564 119.862 0.702 1
1 881 . 6 1 1 A 74 74 VAL H H 74 8.088 7.637 0.451 1
1 882 . 6 1 1 A 74 74 VAL HA H 74 3.986 3.509 0.477 1
1 890 . 6 1 1 A 74 74 VAL C C 74 176.167 177.791 -1.624 1
1 891 . 6 1 1 A 74 74 VAL CA C 74 63.123 66.391 -3.268 1
1 892 . 6 1 1 A 74 74 VAL CB C 74 30.082 31.363 -1.281 1
1 895 . 6 1 1 A 74 74 VAL N N 74 121.828 120.374 1.454 1
1 896 . 6 1 1 A 75 75 MET H H 75 8.167 7.944 0.223 1
1 897 . 6 1 1 A 75 75 MET HA H 75 4.093 3.966 0.127 1
1 903 . 6 1 1 A 75 75 MET C C 75 176.455 178.389 -1.934 1
1 904 . 6 1 1 A 75 75 MET N N 75 123.990 117.224 6.766 1
1 905 . 6 1 1 A 76 76 LYS H H 76 8.287 7.609 0.678 1
1 906 . 6 1 1 A 76 76 LYS HA H 76 4.234 4.035 0.199 1
1 915 . 6 1 1 A 76 76 LYS C C 76 176.220 178.436 -2.216 1
1 916 . 6 1 1 A 76 76 LYS CA C 76 56.765 58.743 -1.978 1
1 917 . 6 1 1 A 76 76 LYS CB C 76 33.055 32.278 0.777 1
1 921 . 6 1 1 A 76 76 LYS N N 76 122.725 119.915 2.810 1
1 922 . 6 1 1 A 77 77 ALA H H 77 8.308 8.018 0.290 1
1 923 . 6 1 1 A 77 77 ALA HA H 77 4.213 4.025 0.188 1
1 927 . 6 1 1 A 77 77 ALA C C 77 178.097 179.934 -1.837 1
1 928 . 6 1 1 A 77 77 ALA CA C 77 52.740 54.923 -2.183 1
1 929 . 6 1 1 A 77 77 ALA CB C 77 19.427 18.326 1.101 1
1 930 . 6 1 1 A 77 77 ALA N N 77 125.316 121.497 3.819 1
1 931 . 6 1 1 A 78 78 GLY H H 78 8.284 8.349 -0.065 1
1 932 . 6 1 1 A 78 78 GLY HA2 H 78 3.873 3.465 0.408 1
1 933 . 6 1 1 A 78 78 GLY HA3 H 78 3.873 3.625 0.248 1
1 934 . 6 1 1 A 78 78 GLY C C 78 174.065 175.644 -1.579 1
1 935 . 6 1 1 A 78 78 GLY CA C 78 45.497 47.123 -1.626 1
1 936 . 6 1 1 A 78 78 GLY N N 78 107.778 105.212 2.566 1
1 937 . 6 1 1 A 79 79 ILE H H 79 7.882 8.060 -0.178 1
1 938 . 6 1 1 A 79 79 ILE HA H 79 4.119 3.847 0.272 1
1 948 . 6 1 1 A 79 79 ILE C C 79 176.160 178.104 -1.944 1
1 949 . 6 1 1 A 79 79 ILE CA C 79 61.436 64.612 -3.176 1
1 950 . 6 1 1 A 79 79 ILE CB C 79 38.904 36.965 1.939 1
1 954 . 6 1 1 A 79 79 ILE N N 79 119.794 122.037 -2.243 1
1 955 . 6 1 1 A 80 80 GLU H H 80 8.354 8.438 -0.084 1
1 956 . 6 1 1 A 80 80 GLU HA H 80 4.282 3.977 0.305 1
1 961 . 6 1 1 A 80 80 GLU C C 80 176.174 179.190 -3.016 1
1 962 . 6 1 1 A 80 80 GLU CA C 80 57.178 59.316 -2.138 1
1 963 . 6 1 1 A 80 80 GLU CB C 80 30.019 29.336 0.683 1
1 965 . 6 1 1 A 80 80 GLU N N 80 124.311 121.145 3.166 1
1 966 . 6 1 1 A 81 81 VAL H H 81 8.205 7.288 0.917 1
1 967 . 6 1 1 A 81 81 VAL HA H 81 3.985 3.699 0.286 1
1 975 . 6 1 1 A 81 81 VAL C C 81 175.815 178.011 -2.196 1
1 976 . 6 1 1 A 81 81 VAL CA C 81 62.865 65.327 -2.462 1
1 977 . 6 1 1 A 81 81 VAL CB C 81 32.629 31.231 1.398 1
1 980 . 6 1 1 A 81 81 VAL N N 81 121.106 117.316 3.790 1
1 981 . 6 1 1 A 82 82 PHE H H 82 8.252 7.010 1.242 1
1 982 . 6 1 1 A 82 82 PHE HA H 82 4.551 4.188 0.363 1
1 990 . 6 1 1 A 82 82 PHE C C 82 175.631 178.032 -2.401 1
1 991 . 6 1 1 A 82 82 PHE CA C 82 58.206 61.756 -3.550 1
1 992 . 6 1 1 A 82 82 PHE CB C 82 39.431 38.260 1.171 1
1 993 . 6 1 1 A 82 82 PHE N N 82 123.622 120.505 3.117 1
1 994 . 6 1 1 A 83 83 ALA H H 83 8.184 8.629 -0.445 1
1 995 . 6 1 1 A 83 83 ALA HA H 83 4.230 4.086 0.144 1
1 999 . 6 1 1 A 83 83 ALA C C 83 178.025 179.903 -1.878 1
1 1000 . 6 1 1 A 83 83 ALA CA C 83 52.731 55.225 -2.494 1
1 1001 . 6 1 1 A 83 83 ALA CB C 83 19.359 17.816 1.543 1
1 1002 . 6 1 1 A 83 83 ALA N N 83 125.081 122.502 2.579 1
1 1003 . 6 1 1 A 84 84 LEU H H 84 8.104 7.966 0.138 1
1 1004 . 6 1 1 A 84 84 LEU HA H 84 4.167 4.093 0.074 1
1 1014 . 6 1 1 A 84 84 LEU C C 84 176.390 178.969 -2.579 1
1 1015 . 6 1 1 A 84 84 LEU CA C 84 55.786 57.470 -1.684 1
1 1016 . 6 1 1 A 84 84 LEU CB C 84 42.179 41.398 0.781 1
1 1020 . 6 1 1 A 84 84 LEU N N 84 119.064 120.310 -1.246 1
1 1021 . 6 1 1 A 85 85 VAL H H 85 8.155 8.376 -0.221 1
1 1022 . 6 1 1 A 85 85 VAL HA H 85 4.073 3.869 0.204 1
1 1030 . 6 1 1 A 85 85 VAL C C 85 176.521 177.549 -1.028 1
1 1031 . 6 1 1 A 85 85 VAL CA C 85 62.762 65.817 -3.055 1
1 1032 . 6 1 1 A 85 85 VAL CB C 85 32.498 31.591 0.907 1
1 1035 . 6 1 1 A 85 85 VAL N N 85 121.743 118.206 3.537 1
1 1036 . 6 1 1 A 86 86 THR H H 86 8.052 7.861 0.191 1
1 1037 . 6 1 1 A 86 86 THR HA H 86 4.141 3.879 0.262 1
1 1042 . 6 1 1 A 86 86 THR C C 86 174.706 176.510 -1.804 1
1 1043 . 6 1 1 A 86 86 THR CA C 86 62.351 65.234 -2.883 1
1 1044 . 6 1 1 A 86 86 THR CB C 86 69.618 68.960 0.658 1
1 1046 . 6 1 1 A 86 86 THR N N 86 117.693 116.436 1.257 1
1 1047 . 6 1 1 A 87 87 ALA H H 87 8.216 8.154 0.062 1
1 1048 . 6 1 1 A 87 87 ALA HA H 87 4.170 4.126 0.044 1
1 1052 . 6 1 1 A 87 87 ALA C C 87 178.003 179.342 -1.339 1
1 1053 . 6 1 1 A 87 87 ALA CA C 87 52.967 53.940 -0.973 1
1 1054 . 6 1 1 A 87 87 ALA CB C 87 18.326 18.233 0.093 1
1 1055 . 6 1 1 A 87 87 ALA N N 87 126.174 123.187 2.987 1
1 1056 . 6 1 1 A 88 88 ALA H H 88 8.129 8.047 0.082 1
1 1057 . 6 1 1 A 88 88 ALA HA H 88 4.147 3.346 0.801 1
1 1061 . 6 1 1 A 88 88 ALA C C 88 178.246 179.690 -1.444 1
1 1062 . 6 1 1 A 88 88 ALA CA C 88 52.961 54.422 -1.461 1
1 1063 . 6 1 1 A 88 88 ALA CB C 88 19.290 18.946 0.344 1
1 1064 . 6 1 1 A 88 88 ALA N N 88 122.649 120.113 2.536 1
1 1065 . 6 1 1 A 89 89 LEU H H 89 7.992 7.925 0.067 1
1 1066 . 6 1 1 A 89 89 LEU HA H 89 4.153 3.894 0.259 1
1 1076 . 6 1 1 A 89 89 LEU C C 89 176.375 178.693 -2.318 1
1 1077 . 6 1 1 A 89 89 LEU CA C 89 57.099 57.939 -0.840 1
1 1078 . 6 1 1 A 89 89 LEU CB C 89 42.055 41.684 0.371 1
1 1082 . 6 1 1 A 89 89 LEU N N 89 120.616 118.620 1.996 1
1 1083 . 6 1 1 A 90 90 ALA H H 90 8.168 8.342 -0.174 1
1 1084 . 6 1 1 A 90 90 ALA HA H 90 4.218 4.266 -0.048 1
1 1088 . 6 1 1 A 90 90 ALA C C 90 178.487 178.967 -0.480 1
1 1089 . 6 1 1 A 90 90 ALA CA C 90 53.043 54.082 -1.039 1
1 1090 . 6 1 1 A 90 90 ALA CB C 90 19.269 18.405 0.864 1
1 1091 . 6 1 1 A 90 90 ALA N N 90 124.243 120.978 3.265 1
1 1092 . 6 1 1 A 91 91 THR H H 91 7.988 7.304 0.684 1
1 1093 . 6 1 1 A 91 91 THR HA H 91 4.181 4.009 0.172 1
1 1098 . 6 1 1 A 91 91 THR C C 91 174.931 175.797 -0.866 1
1 1099 . 6 1 1 A 91 91 THR CA C 91 62.190 65.703 -3.513 1
1 1100 . 6 1 1 A 91 91 THR CB C 91 69.198 68.494 0.704 1
1 1102 . 6 1 1 A 91 91 THR N N 91 112.659 112.792 -0.133 1
1 1103 . 6 1 1 A 92 92 ASP H H 92 8.254 8.084 0.170 1
1 1104 . 6 1 1 A 92 92 ASP HA H 92 4.541 4.344 0.197 1
1 1107 . 6 1 1 A 92 92 ASP C C 92 175.823 178.532 -2.709 1
1 1108 . 6 1 1 A 92 92 ASP CA C 92 53.570 56.902 -3.332 1
1 1109 . 6 1 1 A 92 92 ASP CB C 92 38.750 40.414 -1.664 1
1 1110 . 6 1 1 A 92 92 ASP N N 92 120.688 121.735 -1.047 1
1 1111 . 6 1 1 A 93 93 PHE H H 93 8.048 8.229 -0.181 1
1 1112 . 6 1 1 A 93 93 PHE HA H 93 4.547 4.355 0.192 1
1 1120 . 6 1 1 A 93 93 PHE C C 93 176.384 177.496 -1.112 1
1 1121 . 6 1 1 A 93 93 PHE CA C 93 58.633 59.990 -1.357 1
1 1122 . 6 1 1 A 93 93 PHE CB C 93 39.451 37.718 1.733 1
1 1123 . 6 1 1 A 93 93 PHE N N 93 120.763 117.127 3.636 1
1 1124 . 6 1 1 A 94 94 VAL H H 94 7.904 8.120 -0.216 1
1 1125 . 6 1 1 A 94 94 VAL HA H 94 4.364 2.958 1.406 1
1 1133 . 6 1 1 A 94 94 VAL C C 94 176.851 177.910 -1.059 1
1 1134 . 6 1 1 A 94 94 VAL CA C 94 63.297 65.915 -2.618 1
1 1135 . 6 1 1 A 94 94 VAL CB C 94 29.241 31.153 -1.912 1
1 1138 . 6 1 1 A 94 94 VAL N N 94 121.478 120.690 0.788 1
1 1139 . 6 1 1 A 95 95 ARG H H 95 8.146 7.983 0.163 1
1 1140 . 6 1 1 A 95 95 ARG HA H 95 4.134 3.988 0.146 1
1 1152 . 6 1 1 A 95 95 ARG C C 95 177.395 178.756 -1.361 1
1 1153 . 6 1 1 A 95 95 ARG CA C 95 55.978 59.366 -3.388 1
1 1154 . 6 1 1 A 95 95 ARG CB C 95 31.070 29.759 1.311 1
1 1157 . 6 1 1 A 95 95 ARG N N 95 122.920 119.506 3.414 1
1 1159 . 6 1 1 A 96 96 ARG H H 96 8.313 8.453 -0.140 1
1 1160 . 6 1 1 A 96 96 ARG HA H 96 4.180 4.050 0.130 1
1 1172 . 6 1 1 A 96 96 ARG C C 96 176.839 177.634 -0.795 1
1 1173 . 6 1 1 A 96 96 ARG CA C 96 56.831 59.031 -2.200 1
1 1174 . 6 1 1 A 96 96 ARG CB C 96 30.952 30.053 0.899 1
1 1177 . 6 1 1 A 96 96 ARG N N 96 121.064 118.306 2.758 1
1 1179 . 6 1 1 A 97 97 GLU H H 97 8.356 7.962 0.394 1
1 1180 . 6 1 1 A 97 97 GLU HA H 97 4.220 4.207 0.013 1
1 1185 . 6 1 1 A 97 97 GLU C C 97 176.319 179.320 -3.001 1
1 1186 . 6 1 1 A 97 97 GLU CA C 97 57.408 58.820 -1.412 1
1 1187 . 6 1 1 A 97 97 GLU CB C 97 28.610 28.897 -0.287 1
1 1189 . 6 1 1 A 97 97 GLU N N 97 121.754 118.832 2.922 1
1 1190 . 6 1 1 A 98 98 GLU H H 98 8.328 7.881 0.447 1
1 1191 . 6 1 1 A 98 98 GLU HA H 98 4.240 4.037 0.203 1
1 1196 . 6 1 1 A 98 98 GLU C C 98 176.132 179.840 -3.708 1
1 1197 . 6 1 1 A 98 98 GLU CA C 98 57.666 59.091 -1.425 1
1 1198 . 6 1 1 A 98 98 GLU CB C 98 30.045 29.561 0.484 1
1 1200 . 6 1 1 A 98 98 GLU N N 98 121.414 120.631 0.783 1
1 1201 . 6 1 1 A 99 99 GLU H H 99 8.418 7.887 0.531 1
1 1202 . 6 1 1 A 99 99 GLU HA H 99 4.299 4.089 0.210 1
1 1207 . 6 1 1 A 99 99 GLU C C 99 177.021 178.711 -1.690 1
1 1208 . 6 1 1 A 99 99 GLU CA C 99 57.397 59.111 -1.714 1
1 1209 . 6 1 1 A 99 99 GLU CB C 99 30.309 29.091 1.218 1
1 1211 . 6 1 1 A 99 99 GLU N N 99 121.312 120.132 1.180 1
1 1212 . 6 1 1 A 100 100 ARG H H 100 8.013 8.375 -0.362 1
1 1213 . 6 1 1 A 100 100 ARG HA H 100 4.180 4.058 0.122 1
1 1225 . 6 1 1 A 100 100 ARG C C 100 176.313 178.869 -2.556 1
1 1226 . 6 1 1 A 100 100 ARG CA C 100 57.238 59.131 -1.893 1
1 1227 . 6 1 1 A 100 100 ARG CB C 100 30.298 29.966 0.332 1
1 1230 . 6 1 1 A 100 100 ARG N N 100 121.871 120.297 1.574 1
1 1232 . 6 1 1 A 101 101 ARG H H 101 8.260 7.260 1.000 1
1 1233 . 6 1 1 A 101 101 ARG HA H 101 4.260 4.131 0.129 1
1 1245 . 6 1 1 A 101 101 ARG C C 101 176.753 176.995 -0.242 1
1 1246 . 6 1 1 A 101 101 ARG CA C 101 56.492 56.564 -0.072 1
1 1247 . 6 1 1 A 101 101 ARG CB C 101 30.838 30.456 0.382 1
1 1250 . 6 1 1 A 101 101 ARG N N 101 122.019 115.865 6.154 1
1 1252 . 6 1 1 A 102 102 GLY H H 102 8.380 7.481 0.899 1
1 1253 . 6 1 1 A 102 102 GLY HA2 H 102 3.849 3.897 -0.048 1
1 1254 . 6 1 1 A 102 102 GLY HA3 H 102 3.849 3.919 -0.070 1
1 1255 . 6 1 1 A 102 102 GLY C C 102 173.145 174.782 -1.637 1
1 1256 . 6 1 1 A 102 102 GLY CA C 102 45.401 45.659 -0.258 1
1 1257 . 6 1 1 A 102 102 GLY N N 102 110.110 107.318 2.792 1
1 9 . 7 1 1 A 2 2 ALA H H 2 8.742 8.905 -0.163 1
1 10 . 7 1 1 A 2 2 ALA HA H 2 4.302 4.188 0.114 1
1 14 . 7 1 1 A 2 2 ALA C C 2 177.216 177.380 -0.164 1
1 15 . 7 1 1 A 2 2 ALA CA C 2 52.876 55.208 -2.332 1
1 16 . 7 1 1 A 2 2 ALA CB C 2 19.182 19.047 0.135 1
1 17 . 7 1 1 A 2 2 ALA N N 2 124.657 130.229 -5.572 1
1 18 . 7 1 1 A 3 3 ASP H H 3 8.432 7.937 0.495 1
1 19 . 7 1 1 A 3 3 ASP HA H 3 4.530 4.911 -0.381 1
1 22 . 7 1 1 A 3 3 ASP C C 3 176.023 176.950 -0.927 1
1 23 . 7 1 1 A 3 3 ASP CA C 3 53.721 55.532 -1.811 1
1 24 . 7 1 1 A 3 3 ASP CB C 3 38.752 41.378 -2.626 1
1 25 . 7 1 1 A 3 3 ASP N N 3 118.729 116.176 2.553 1
1 26 . 7 1 1 A 4 4 HIS H H 4 8.549 8.553 -0.004 1
1 27 . 7 1 1 A 4 4 HIS HA H 4 4.568 4.456 0.112 1
1 32 . 7 1 1 A 4 4 HIS C C 4 175.101 176.628 -1.527 1
1 33 . 7 1 1 A 4 4 HIS CA C 4 56.640 57.310 -0.670 1
1 34 . 7 1 1 A 4 4 HIS CB C 4 28.961 28.687 0.274 1
1 37 . 7 1 1 A 4 4 HIS N N 4 119.650 117.311 2.339 1
1 38 . 7 1 1 A 5 5 GLU H H 5 8.330 8.291 0.039 1
1 39 . 7 1 1 A 5 5 GLU HA H 5 4.207 3.891 0.316 1
1 44 . 7 1 1 A 5 5 GLU C C 5 175.749 179.244 -3.495 1
1 45 . 7 1 1 A 5 5 GLU CA C 5 56.594 59.677 -3.083 1
1 46 . 7 1 1 A 5 5 GLU CB C 5 29.285 29.110 0.175 1
1 48 . 7 1 1 A 5 5 GLU N N 5 120.937 119.903 1.034 1
1 49 . 7 1 1 A 6 6 ARG H H 6 8.325 7.774 0.551 1
1 50 . 7 1 1 A 6 6 ARG HA H 6 4.571 4.160 0.411 1
1 62 . 7 1 1 A 6 6 ARG C C 6 177.578 178.882 -1.304 1
1 63 . 7 1 1 A 6 6 ARG CA C 6 56.716 59.565 -2.849 1
1 64 . 7 1 1 A 6 6 ARG CB C 6 30.744 29.899 0.845 1
1 67 . 7 1 1 A 6 6 ARG N N 6 120.267 120.578 -0.311 1
1 69 . 7 1 1 A 7 7 GLU H H 7 8.136 8.034 0.102 1
1 70 . 7 1 1 A 7 7 GLU HA H 7 4.165 4.065 0.100 1
1 75 . 7 1 1 A 7 7 GLU C C 7 177.156 178.850 -1.694 1
1 76 . 7 1 1 A 7 7 GLU CA C 7 57.125 58.959 -1.834 1
1 77 . 7 1 1 A 7 7 GLU CB C 7 30.149 28.967 1.182 1
1 79 . 7 1 1 A 7 7 GLU N N 7 121.008 119.294 1.714 1
1 80 . 7 1 1 A 8 8 ALA H H 8 8.325 8.079 0.246 1
1 81 . 7 1 1 A 8 8 ALA HA H 8 4.212 4.021 0.191 1
1 85 . 7 1 1 A 8 8 ALA C C 8 178.913 179.706 -0.793 1
1 86 . 7 1 1 A 8 8 ALA CA C 8 52.832 55.390 -2.558 1
1 87 . 7 1 1 A 8 8 ALA CB C 8 18.909 18.112 0.797 1
1 88 . 7 1 1 A 8 8 ALA N N 8 124.538 122.568 1.970 1
1 89 . 7 1 1 A 9 9 GLN H H 9 8.159 7.989 0.170 1
1 90 . 7 1 1 A 9 9 GLN HA H 9 4.140 4.072 0.068 1
1 97 . 7 1 1 A 9 9 GLN C C 9 175.771 178.535 -2.764 1
1 98 . 7 1 1 A 9 9 GLN CA C 9 57.655 58.162 -0.507 1
1 99 . 7 1 1 A 9 9 GLN CB C 9 28.606 27.782 0.824 1
1 101 . 7 1 1 A 9 9 GLN N N 9 124.103 116.315 7.788 1
1 103 . 7 1 1 A 10 10 LYS H H 10 8.148 7.681 0.467 1
1 104 . 7 1 1 A 10 10 LYS HA H 10 4.204 4.109 0.095 1
1 113 . 7 1 1 A 10 10 LYS C C 10 177.798 178.716 -0.918 1
1 114 . 7 1 1 A 10 10 LYS CA C 10 57.139 58.504 -1.365 1
1 115 . 7 1 1 A 10 10 LYS CB C 10 33.040 32.102 0.938 1
1 119 . 7 1 1 A 10 10 LYS N N 10 120.635 120.498 0.137 1
1 120 . 7 1 1 A 11 11 ALA H H 11 8.148 8.239 -0.091 1
1 121 . 7 1 1 A 11 11 ALA HA H 11 4.140 3.957 0.183 1
1 125 . 7 1 1 A 11 11 ALA C C 11 178.173 179.820 -1.647 1
1 126 . 7 1 1 A 11 11 ALA CA C 11 53.351 55.007 -1.656 1
1 127 . 7 1 1 A 11 11 ALA CB C 11 19.128 18.078 1.050 1
1 128 . 7 1 1 A 11 11 ALA N N 11 123.171 121.923 1.248 1
1 129 . 7 1 1 A 12 12 GLU H H 12 8.248 8.062 0.186 1
1 130 . 7 1 1 A 12 12 GLU HA H 12 4.222 3.999 0.223 1
1 135 . 7 1 1 A 12 12 GLU C C 12 176.385 179.427 -3.042 1
1 136 . 7 1 1 A 12 12 GLU CA C 12 57.442 58.959 -1.517 1
1 137 . 7 1 1 A 12 12 GLU CB C 12 30.001 29.054 0.947 1
1 139 . 7 1 1 A 12 12 GLU N N 12 119.451 118.483 0.968 1
1 140 . 7 1 1 A 13 13 GLU H H 13 8.372 8.027 0.345 1
1 141 . 7 1 1 A 13 13 GLU HA H 13 4.265 4.093 0.172 1
1 146 . 7 1 1 A 13 13 GLU C C 13 178.060 179.684 -1.624 1
1 147 . 7 1 1 A 13 13 GLU CA C 13 56.828 59.159 -2.331 1
1 148 . 7 1 1 A 13 13 GLU CB C 13 30.082 29.334 0.748 1
1 150 . 7 1 1 A 13 13 GLU N N 13 121.080 120.649 0.431 1
1 151 . 7 1 1 A 14 14 GLU H H 14 8.152 7.608 0.544 1
1 152 . 7 1 1 A 14 14 GLU HA H 14 4.142 4.040 0.102 1
1 157 . 7 1 1 A 14 14 GLU C C 14 176.274 178.507 -2.233 1
1 158 . 7 1 1 A 14 14 GLU CA C 14 56.892 59.111 -2.219 1
1 159 . 7 1 1 A 14 14 GLU CB C 14 28.169 29.397 -1.228 1
1 161 . 7 1 1 A 14 14 GLU N N 14 120.236 120.005 0.231 1
1 162 . 7 1 1 A 15 15 LEU H H 15 8.301 7.745 0.556 1
1 163 . 7 1 1 A 15 15 LEU HA H 15 4.224 3.983 0.241 1
1 173 . 7 1 1 A 15 15 LEU C C 15 177.983 178.614 -0.631 1
1 174 . 7 1 1 A 15 15 LEU CA C 15 56.344 57.743 -1.399 1
1 175 . 7 1 1 A 15 15 LEU CB C 15 42.250 41.435 0.815 1
1 179 . 7 1 1 A 15 15 LEU N N 15 123.072 121.306 1.766 1
1 180 . 7 1 1 A 16 16 GLN H H 16 8.132 7.592 0.540 1
1 181 . 7 1 1 A 16 16 GLN HA H 16 4.145 4.031 0.114 1
1 188 . 7 1 1 A 16 16 GLN C C 16 177.674 178.950 -1.276 1
1 189 . 7 1 1 A 16 16 GLN CA C 16 57.971 59.114 -1.143 1
1 190 . 7 1 1 A 16 16 GLN CB C 16 29.889 27.938 1.951 1
1 192 . 7 1 1 A 16 16 GLN N N 16 119.160 117.720 1.440 1
1 194 . 7 1 1 A 17 17 LYS H H 17 8.214 7.494 0.720 1
1 195 . 7 1 1 A 17 17 LYS HA H 17 4.140 4.205 -0.065 1
1 204 . 7 1 1 A 17 17 LYS C C 17 177.646 178.810 -1.164 1
1 205 . 7 1 1 A 17 17 LYS CA C 17 57.115 58.961 -1.846 1
1 206 . 7 1 1 A 17 17 LYS CB C 17 32.833 32.218 0.615 1
1 210 . 7 1 1 A 17 17 LYS N N 17 120.310 121.374 -1.064 1
1 211 . 7 1 1 A 18 18 VAL H H 18 7.871 7.610 0.261 1
1 212 . 7 1 1 A 18 18 VAL HA H 18 4.108 3.590 0.518 1
1 220 . 7 1 1 A 18 18 VAL C C 18 177.476 178.118 -0.642 1
1 221 . 7 1 1 A 18 18 VAL CA C 18 63.634 66.465 -2.831 1
1 222 . 7 1 1 A 18 18 VAL CB C 18 31.886 31.294 0.592 1
1 225 . 7 1 1 A 18 18 VAL N N 18 120.571 120.464 0.107 1
1 226 . 7 1 1 A 19 19 LEU H H 19 8.180 7.975 0.205 1
1 227 . 7 1 1 A 19 19 LEU HA H 19 4.042 3.940 0.102 1
1 237 . 7 1 1 A 19 19 LEU C C 19 179.462 179.442 0.020 1
1 238 . 7 1 1 A 19 19 LEU CA C 19 57.653 58.169 -0.516 1
1 239 . 7 1 1 A 19 19 LEU CB C 19 41.800 41.144 0.656 1
1 243 . 7 1 1 A 19 19 LEU N N 19 122.936 120.378 2.558 1
1 244 . 7 1 1 A 20 20 GLU H H 20 8.122 7.924 0.198 1
1 245 . 7 1 1 A 20 20 GLU HA H 20 4.156 4.120 0.036 1
1 250 . 7 1 1 A 20 20 GLU C C 20 178.001 179.559 -1.558 1
1 251 . 7 1 1 A 20 20 GLU CA C 20 58.045 59.437 -1.392 1
1 252 . 7 1 1 A 20 20 GLU CB C 20 30.092 28.877 1.215 1
1 254 . 7 1 1 A 20 20 GLU N N 20 118.745 118.021 0.724 1
1 255 . 7 1 1 A 21 21 GLU H H 21 8.190 7.970 0.220 1
1 256 . 7 1 1 A 21 21 GLU HA H 21 4.144 4.044 0.100 1
1 261 . 7 1 1 A 21 21 GLU C C 21 177.290 178.953 -1.663 1
1 262 . 7 1 1 A 21 21 GLU CA C 21 58.109 59.000 -0.891 1
1 263 . 7 1 1 A 21 21 GLU CB C 21 29.868 29.760 0.108 1
1 265 . 7 1 1 A 21 21 GLU N N 21 119.542 121.125 -1.583 1
1 266 . 7 1 1 A 22 22 ALA H H 22 8.092 8.525 -0.433 1
1 267 . 7 1 1 A 22 22 ALA HA H 22 4.173 4.087 0.086 1
1 271 . 7 1 1 A 22 22 ALA C C 22 179.020 179.967 -0.947 1
1 272 . 7 1 1 A 22 22 ALA CA C 22 53.944 54.825 -0.881 1
1 273 . 7 1 1 A 22 22 ALA CB C 22 18.578 18.275 0.303 1
1 274 . 7 1 1 A 22 22 ALA N N 22 123.378 123.351 0.027 1
1 275 . 7 1 1 A 23 23 SER H H 23 8.079 8.331 -0.252 1
1 276 . 7 1 1 A 23 23 SER HA H 23 4.300 4.255 0.045 1
1 279 . 7 1 1 A 23 23 SER C C 23 173.125 176.815 -3.690 1
1 280 . 7 1 1 A 23 23 SER CA C 23 59.414 61.480 -2.066 1
1 281 . 7 1 1 A 23 23 SER CB C 23 63.520 62.525 0.995 1
1 282 . 7 1 1 A 23 23 SER N N 23 114.637 113.139 1.498 1
1 283 . 7 1 1 A 24 24 LYS H H 24 8.032 8.036 -0.004 1
1 284 . 7 1 1 A 24 24 LYS HA H 24 4.325 4.144 0.181 1
1 293 . 7 1 1 A 24 24 LYS C C 24 175.423 178.824 -3.401 1
1 294 . 7 1 1 A 24 24 LYS CA C 24 57.273 59.526 -2.253 1
1 295 . 7 1 1 A 24 24 LYS CB C 24 31.200 32.378 -1.178 1
1 299 . 7 1 1 A 24 24 LYS N N 24 122.635 121.526 1.109 1
1 300 . 7 1 1 A 25 25 LYS H H 25 8.042 8.042 0.000 1
1 301 . 7 1 1 A 25 25 LYS HA H 25 4.169 4.120 0.049 1
1 310 . 7 1 1 A 25 25 LYS C C 25 177.025 179.015 -1.990 1
1 311 . 7 1 1 A 25 25 LYS CA C 25 56.876 59.755 -2.879 1
1 312 . 7 1 1 A 25 25 LYS CB C 25 31.200 32.614 -1.414 1
1 316 . 7 1 1 A 25 25 LYS N N 25 121.079 119.335 1.744 1
1 317 . 7 1 1 A 26 26 ALA H H 26 8.103 8.596 -0.493 1
1 318 . 7 1 1 A 26 26 ALA HA H 26 4.196 4.134 0.062 1
1 322 . 7 1 1 A 26 26 ALA C C 26 178.418 179.961 -1.543 1
1 323 . 7 1 1 A 26 26 ALA CA C 26 53.049 55.197 -2.148 1
1 324 . 7 1 1 A 26 26 ALA CB C 26 19.055 18.805 0.250 1
1 325 . 7 1 1 A 26 26 ALA N N 26 124.589 122.818 1.771 1
1 326 . 7 1 1 A 27 27 VAL H H 27 8.030 7.938 0.092 1
1 327 . 7 1 1 A 27 27 VAL HA H 27 3.945 3.795 0.150 1
1 335 . 7 1 1 A 27 27 VAL C C 27 179.177 178.009 1.168 1
1 336 . 7 1 1 A 27 27 VAL CA C 27 63.001 65.219 -2.218 1
1 337 . 7 1 1 A 27 27 VAL CB C 27 32.449 31.619 0.830 1
1 340 . 7 1 1 A 27 27 VAL N N 27 119.340 116.984 2.356 1
1 341 . 7 1 1 A 28 28 GLU H H 28 8.187 7.691 0.496 1
1 342 . 7 1 1 A 28 28 GLU HA H 28 4.166 4.087 0.079 1
1 347 . 7 1 1 A 28 28 GLU C C 28 176.411 178.790 -2.379 1
1 348 . 7 1 1 A 28 28 GLU CA C 28 57.290 59.109 -1.819 1
1 349 . 7 1 1 A 28 28 GLU CB C 28 30.025 29.179 0.846 1
1 351 . 7 1 1 A 28 28 GLU N N 28 120.351 121.570 -1.219 1
1 352 . 7 1 1 A 29 29 ALA H H 29 8.173 8.408 -0.235 1
1 353 . 7 1 1 A 29 29 ALA HA H 29 4.230 4.118 0.112 1
1 357 . 7 1 1 A 29 29 ALA C C 29 176.924 178.972 -2.048 1
1 358 . 7 1 1 A 29 29 ALA CA C 29 53.338 55.307 -1.969 1
1 359 . 7 1 1 A 29 29 ALA CB C 29 18.964 18.770 0.194 1
1 360 . 7 1 1 A 29 29 ALA N N 29 124.463 122.137 2.326 1
1 361 . 7 1 1 A 30 30 GLU H H 30 8.239 8.618 -0.379 1
1 362 . 7 1 1 A 30 30 GLU HA H 30 4.251 4.017 0.234 1
1 367 . 7 1 1 A 30 30 GLU C C 30 175.016 177.496 -2.480 1
1 368 . 7 1 1 A 30 30 GLU CA C 30 58.033 59.009 -0.976 1
1 369 . 7 1 1 A 30 30 GLU CB C 30 29.996 29.410 0.586 1
1 371 . 7 1 1 A 30 30 GLU N N 30 122.971 119.249 3.722 1
1 372 . 7 1 1 A 31 31 ARG H H 31 8.261 7.764 0.497 1
1 373 . 7 1 1 A 31 31 ARG HA H 31 4.255 4.156 0.099 1
1 385 . 7 1 1 A 31 31 ARG C C 31 176.727 176.782 -0.055 1
1 386 . 7 1 1 A 31 31 ARG CA C 31 56.565 57.452 -0.887 1
1 387 . 7 1 1 A 31 31 ARG CB C 31 30.783 30.226 0.557 1
1 390 . 7 1 1 A 31 31 ARG N N 31 121.894 119.219 2.675 1
1 392 . 7 1 1 A 32 32 GLY H H 32 8.302 8.755 -0.453 1
1 393 . 7 1 1 A 32 32 GLY HA2 H 32 3.852 4.034 -0.182 1
1 394 . 7 1 1 A 32 32 GLY HA3 H 32 3.852 4.038 -0.186 1
1 395 . 7 1 1 A 32 32 GLY C C 32 173.994 174.619 -0.625 1
1 396 . 7 1 1 A 32 32 GLY CA C 32 45.077 45.300 -0.223 1
1 397 . 7 1 1 A 32 32 GLY N N 32 109.773 114.080 -4.307 1
1 398 . 7 1 1 A 33 33 ALA H H 33 8.011 7.665 0.346 1
1 399 . 7 1 1 A 33 33 ALA HA H 33 4.212 4.473 -0.261 1
1 403 . 7 1 1 A 33 33 ALA CA C 33 50.522 50.954 -0.432 1
1 404 . 7 1 1 A 33 33 ALA CB C 33 18.962 19.229 -0.267 1
1 405 . 7 1 1 A 33 33 ALA N N 33 123.601 124.192 -0.591 1
1 406 . 7 1 1 A 34 34 PRO HA H 34 4.352 4.283 0.069 1
1 413 . 7 1 1 A 34 34 PRO C C 34 177.746 177.365 0.381 1
1 414 . 7 1 1 A 34 34 PRO CA C 34 63.520 63.810 -0.290 1
1 415 . 7 1 1 A 34 34 PRO CB C 34 31.938 31.328 0.610 1
1 418 . 7 1 1 A 35 35 GLY H H 35 8.433 8.774 -0.341 1
1 419 . 7 1 1 A 35 35 GLY HA2 H 35 3.848 3.947 -0.099 1
1 420 . 7 1 1 A 35 35 GLY HA3 H 35 3.848 3.963 -0.115 1
1 421 . 7 1 1 A 35 35 GLY C C 35 173.266 174.106 -0.840 1
1 422 . 7 1 1 A 35 35 GLY CA C 35 45.405 45.758 -0.353 1
1 423 . 7 1 1 A 35 35 GLY N N 35 109.298 112.616 -3.318 1
1 424 . 7 1 1 A 36 36 ALA H H 36 8.095 8.272 -0.177 1
1 425 . 7 1 1 A 36 36 ALA HA H 36 4.196 4.240 -0.044 1
1 429 . 7 1 1 A 36 36 ALA C C 36 177.944 176.750 1.194 1
1 430 . 7 1 1 A 36 36 ALA CA C 36 52.551 54.395 -1.844 1
1 431 . 7 1 1 A 36 36 ALA CB C 36 19.485 17.857 1.628 1
1 432 . 7 1 1 A 36 36 ALA N N 36 124.605 122.781 1.824 1
1 433 . 7 1 1 A 37 37 ALA H H 37 8.199 8.400 -0.201 1
1 434 . 7 1 1 A 37 37 ALA HA H 37 4.491 4.333 0.158 1
1 438 . 7 1 1 A 37 37 ALA C C 37 177.456 177.369 0.087 1
1 439 . 7 1 1 A 37 37 ALA CA C 37 52.453 53.073 -0.620 1
1 440 . 7 1 1 A 37 37 ALA CB C 37 19.060 20.718 -1.658 1
1 441 . 7 1 1 A 37 37 ALA N N 37 123.695 120.406 3.289 1
1 442 . 7 1 1 A 38 38 LEU H H 38 8.099 8.309 -0.210 1
1 443 . 7 1 1 A 38 38 LEU HA H 38 4.243 3.914 0.329 1
1 453 . 7 1 1 A 38 38 LEU C C 38 177.358 176.718 0.640 1
1 454 . 7 1 1 A 38 38 LEU CA C 38 55.218 57.726 -2.508 1
1 455 . 7 1 1 A 38 38 LEU CB C 38 42.228 41.633 0.595 1
1 459 . 7 1 1 A 38 38 LEU N N 38 121.531 119.243 2.288 1
1 460 . 7 1 1 A 39 39 ILE H H 39 7.966 7.873 0.093 1
1 461 . 7 1 1 A 39 39 ILE HA H 39 4.136 3.779 0.357 1
1 471 . 7 1 1 A 39 39 ILE C C 39 175.586 174.848 0.738 1
1 472 . 7 1 1 A 39 39 ILE CA C 39 60.873 62.128 -1.255 1
1 473 . 7 1 1 A 39 39 ILE CB C 39 38.727 35.673 3.054 1
1 477 . 7 1 1 A 39 39 ILE N N 39 121.669 116.337 5.332 1
1 478 . 7 1 1 A 40 40 SER H H 40 8.101 7.847 0.254 1
1 479 . 7 1 1 A 40 40 SER HA H 40 4.347 4.808 -0.461 1
1 482 . 7 1 1 A 40 40 SER C C 40 173.336 174.040 -0.704 1
1 483 . 7 1 1 A 40 40 SER CA C 40 57.331 56.827 0.504 1
1 484 . 7 1 1 A 40 40 SER CB C 40 63.983 65.077 -1.094 1
1 485 . 7 1 1 A 40 40 SER N N 40 119.591 116.713 2.878 1
1 486 . 7 1 1 A 41 41 TYR H H 41 8.100 9.025 -0.925 1
1 487 . 7 1 1 A 41 41 TYR HA H 41 4.436 4.345 0.091 1
1 494 . 7 1 1 A 41 41 TYR CA C 41 56.067 62.425 -6.358 1
1 495 . 7 1 1 A 41 41 TYR CB C 41 38.244 38.004 0.240 1
1 496 . 7 1 1 A 41 41 TYR N N 41 122.744 127.143 -4.399 1
1 497 . 7 1 1 A 42 42 PRO HA H 42 4.281 4.199 0.082 1
1 504 . 7 1 1 A 42 42 PRO C C 42 176.765 177.598 -0.833 1
1 505 . 7 1 1 A 42 42 PRO CA C 42 63.650 64.774 -1.124 1
1 506 . 7 1 1 A 42 42 PRO CB C 42 30.513 31.260 -0.747 1
1 509 . 7 1 1 A 43 43 ASP H H 43 8.305 8.387 -0.082 1
1 510 . 7 1 1 A 43 43 ASP HA H 43 4.548 4.380 0.168 1
1 513 . 7 1 1 A 43 43 ASP C C 43 175.135 178.406 -3.271 1
1 514 . 7 1 1 A 43 43 ASP CA C 43 53.570 56.247 -2.677 1
1 515 . 7 1 1 A 43 43 ASP CB C 43 38.450 40.085 -1.635 1
1 516 . 7 1 1 A 43 43 ASP N N 43 118.052 117.693 0.359 1
1 517 . 7 1 1 A 44 44 ALA H H 44 8.013 7.955 0.058 1
1 518 . 7 1 1 A 44 44 ALA HA H 44 4.106 4.234 -0.128 1
1 522 . 7 1 1 A 44 44 ALA C C 44 177.969 179.786 -1.817 1
1 523 . 7 1 1 A 44 44 ALA CA C 44 52.867 55.112 -2.245 1
1 524 . 7 1 1 A 44 44 ALA CB C 44 19.023 18.455 0.568 1
1 525 . 7 1 1 A 44 44 ALA N N 44 123.344 122.385 0.959 1
1 526 . 7 1 1 A 45 45 ILE H H 45 7.860 8.039 -0.179 1
1 527 . 7 1 1 A 45 45 ILE HA H 45 3.855 3.945 -0.090 1
1 537 . 7 1 1 A 45 45 ILE C C 45 176.287 177.683 -1.396 1
1 538 . 7 1 1 A 45 45 ILE CA C 45 61.465 63.319 -1.854 1
1 539 . 7 1 1 A 45 45 ILE CB C 45 38.294 37.815 0.479 1
1 543 . 7 1 1 A 45 45 ILE N N 45 118.636 118.947 -0.311 1
1 544 . 7 1 1 A 46 46 TRP H H 46 7.646 7.674 -0.028 1
1 545 . 7 1 1 A 46 46 TRP HA H 46 4.504 4.563 -0.059 1
1 554 . 7 1 1 A 46 46 TRP C C 46 176.136 178.878 -2.742 1
1 555 . 7 1 1 A 46 46 TRP CA C 46 57.139 58.911 -1.772 1
1 556 . 7 1 1 A 46 46 TRP CB C 46 28.880 30.448 -1.568 1
1 558 . 7 1 1 A 46 46 TRP N N 46 122.947 121.855 1.092 1
1 560 . 7 1 1 A 47 47 TRP H H 47 7.502 8.225 -0.723 1
1 561 . 7 1 1 A 47 47 TRP HA H 47 4.482 4.326 0.156 1
1 570 . 7 1 1 A 47 47 TRP C C 47 176.149 177.952 -1.803 1
1 571 . 7 1 1 A 47 47 TRP CA C 47 57.197 60.957 -3.760 1
1 572 . 7 1 1 A 47 47 TRP CB C 47 29.703 29.627 0.076 1
1 573 . 7 1 1 A 47 47 TRP N N 47 120.943 122.059 -1.116 1
1 575 . 7 1 1 A 48 48 SER H H 48 7.861 8.003 -0.142 1
1 576 . 7 1 1 A 48 48 SER HA H 48 4.258 4.226 0.032 1
1 579 . 7 1 1 A 48 48 SER C C 48 174.600 173.914 0.686 1
1 580 . 7 1 1 A 48 48 SER CA C 48 57.844 57.011 0.833 1
1 581 . 7 1 1 A 48 48 SER CB C 48 64.102 61.576 2.526 1
1 582 . 7 1 1 A 48 48 SER N N 48 116.339 114.038 2.301 1
1 583 . 7 1 1 A 49 49 VAL H H 49 7.921 7.950 -0.029 1
1 584 . 7 1 1 A 49 49 VAL HA H 49 3.990 4.245 -0.255 1
1 592 . 7 1 1 A 49 49 VAL C C 49 176.402 177.471 -1.069 1
1 593 . 7 1 1 A 49 49 VAL CA C 49 62.909 63.325 -0.416 1
1 594 . 7 1 1 A 49 49 VAL CB C 49 32.467 33.499 -1.032 1
1 597 . 7 1 1 A 49 49 VAL N N 49 121.079 123.617 -2.538 1
1 598 . 7 1 1 A 50 50 GLU H H 50 8.229 8.298 -0.069 1
1 599 . 7 1 1 A 50 50 GLU HA H 50 4.307 4.103 0.204 1
1 604 . 7 1 1 A 50 50 GLU C C 50 176.506 178.543 -2.037 1
1 605 . 7 1 1 A 50 50 GLU CA C 50 57.040 58.604 -1.564 1
1 606 . 7 1 1 A 50 50 GLU CB C 50 30.123 29.067 1.056 1
1 608 . 7 1 1 A 50 50 GLU N N 50 122.433 120.443 1.990 1
1 609 . 7 1 1 A 51 51 THR H H 51 7.993 7.804 0.189 1
1 610 . 7 1 1 A 51 51 THR HA H 51 4.248 3.805 0.443 1
1 615 . 7 1 1 A 51 51 THR C C 51 174.430 177.032 -2.602 1
1 616 . 7 1 1 A 51 51 THR CA C 51 62.227 65.480 -3.253 1
1 617 . 7 1 1 A 51 51 THR CB C 51 69.712 68.338 1.374 1
1 619 . 7 1 1 A 51 51 THR N N 51 114.413 114.833 -0.420 1
1 620 . 7 1 1 A 52 52 ALA H H 52 8.160 8.286 -0.126 1
1 621 . 7 1 1 A 52 52 ALA HA H 52 4.212 4.150 0.062 1
1 625 . 7 1 1 A 52 52 ALA C C 52 177.976 179.347 -1.371 1
1 626 . 7 1 1 A 52 52 ALA CA C 52 53.069 54.359 -1.290 1
1 627 . 7 1 1 A 52 52 ALA CB C 52 19.178 18.292 0.886 1
1 628 . 7 1 1 A 52 52 ALA N N 52 125.641 123.512 2.129 1
1 629 . 7 1 1 A 53 53 THR H H 53 8.022 7.396 0.626 1
1 630 . 7 1 1 A 53 53 THR HA H 53 4.231 4.428 -0.197 1
1 635 . 7 1 1 A 53 53 THR C C 53 174.750 173.928 0.822 1
1 636 . 7 1 1 A 53 53 THR CA C 53 62.231 63.147 -0.916 1
1 637 . 7 1 1 A 53 53 THR CB C 53 69.726 69.236 0.490 1
1 639 . 7 1 1 A 53 53 THR N N 53 112.100 110.669 1.431 1
1 640 . 7 1 1 A 54 54 THR H H 54 7.999 8.004 -0.005 1
1 641 . 7 1 1 A 54 54 THR HA H 54 4.303 4.027 0.276 1
1 646 . 7 1 1 A 54 54 THR C C 54 174.592 174.074 0.518 1
1 647 . 7 1 1 A 54 54 THR CA C 54 62.002 62.868 -0.866 1
1 648 . 7 1 1 A 54 54 THR CB C 54 69.793 66.450 3.343 1
1 650 . 7 1 1 A 54 54 THR N N 54 116.238 114.674 1.564 1
1 651 . 7 1 1 A 55 55 VAL H H 55 8.098 7.853 0.245 1
1 652 . 7 1 1 A 55 55 VAL HA H 55 4.017 4.051 -0.034 1
1 660 . 7 1 1 A 55 55 VAL C C 55 176.453 176.286 0.167 1
1 661 . 7 1 1 A 55 55 VAL CA C 55 62.650 63.818 -1.168 1
1 662 . 7 1 1 A 55 55 VAL CB C 55 32.524 32.479 0.045 1
1 665 . 7 1 1 A 55 55 VAL N N 55 122.445 119.849 2.596 1
1 666 . 7 1 1 A 56 56 GLY H H 56 8.308 7.802 0.506 1
1 667 . 7 1 1 A 56 56 GLY HA2 H 56 3.839 4.108 -0.269 1
1 668 . 7 1 1 A 56 56 GLY HA3 H 56 4.019 4.140 -0.121 1
1 669 . 7 1 1 A 56 56 GLY C C 56 173.958 173.771 0.187 1
1 670 . 7 1 1 A 56 56 GLY CA C 56 45.216 45.817 -0.601 1
1 671 . 7 1 1 A 56 56 GLY N N 56 112.118 107.738 4.380 1
1 672 . 7 1 1 A 57 57 TYR H H 57 8.051 8.694 -0.643 1
1 673 . 7 1 1 A 57 57 TYR HA H 57 4.402 4.364 0.038 1
1 680 . 7 1 1 A 57 57 TYR C C 57 176.557 176.167 0.390 1
1 681 . 7 1 1 A 57 57 TYR CA C 57 58.251 60.365 -2.114 1
1 682 . 7 1 1 A 57 57 TYR CB C 57 38.935 37.544 1.391 1
1 683 . 7 1 1 A 57 57 TYR N N 57 120.259 120.920 -0.661 1
1 684 . 7 1 1 A 58 58 GLY H H 58 8.335 8.286 0.049 1
1 685 . 7 1 1 A 58 58 GLY HA2 H 58 3.801 4.218 -0.417 1
1 686 . 7 1 1 A 58 58 GLY HA3 H 58 3.801 4.257 -0.456 1
1 687 . 7 1 1 A 58 58 GLY C C 58 173.911 175.010 -1.099 1
1 688 . 7 1 1 A 58 58 GLY CA C 58 45.311 45.490 -0.179 1
1 689 . 7 1 1 A 58 58 GLY N N 58 110.220 106.425 3.795 1
1 690 . 7 1 1 A 59 59 ASP H H 59 8.161 8.195 -0.034 1
1 691 . 7 1 1 A 59 59 ASP HA H 59 4.581 4.523 0.058 1
1 694 . 7 1 1 A 59 59 ASP C C 59 175.189 175.843 -0.654 1
1 695 . 7 1 1 A 59 59 ASP CA C 59 53.570 56.909 -3.339 1
1 696 . 7 1 1 A 59 59 ASP CB C 59 38.750 41.161 -2.411 1
1 697 . 7 1 1 A 59 59 ASP N N 59 118.765 120.734 -1.969 1
1 698 . 7 1 1 A 60 60 ARG H H 60 8.086 7.959 0.127 1
1 699 . 7 1 1 A 60 60 ARG HA H 60 4.152 4.385 -0.233 1
1 711 . 7 1 1 A 60 60 ARG C C 60 176.603 173.891 2.712 1
1 712 . 7 1 1 A 60 60 ARG CA C 60 56.825 53.986 2.839 1
1 713 . 7 1 1 A 60 60 ARG CB C 60 30.935 33.700 -2.765 1
1 716 . 7 1 1 A 60 60 ARG N N 60 120.762 117.530 3.232 1
1 718 . 7 1 1 A 61 61 TYR H H 61 8.117 8.299 -0.182 1
1 719 . 7 1 1 A 61 61 TYR HA H 61 4.488 5.358 -0.870 1
1 726 . 7 1 1 A 61 61 TYR CA C 61 56.688 55.433 1.255 1
1 727 . 7 1 1 A 61 61 TYR CB C 61 39.582 39.883 -0.301 1
1 728 . 7 1 1 A 61 61 TYR N N 61 121.714 117.851 3.863 1
1 729 . 7 1 1 A 62 62 PRO HA H 62 4.383 4.680 -0.297 1
1 736 . 7 1 1 A 62 62 PRO C C 62 177.441 176.595 0.846 1
1 737 . 7 1 1 A 62 62 PRO CA C 62 63.212 62.431 0.781 1
1 738 . 7 1 1 A 62 62 PRO CB C 62 31.939 33.497 -1.558 1
1 741 . 7 1 1 A 63 63 VAL H H 63 8.217 9.024 -0.807 1
1 742 . 7 1 1 A 63 63 VAL HA H 63 4.164 4.224 -0.060 1
1 750 . 7 1 1 A 63 63 VAL C C 63 176.576 177.090 -0.514 1
1 751 . 7 1 1 A 63 63 VAL CA C 63 62.382 62.374 0.008 1
1 752 . 7 1 1 A 63 63 VAL CB C 63 32.862 32.753 0.109 1
1 755 . 7 1 1 A 63 63 VAL N N 63 120.316 119.456 0.860 1
1 756 . 7 1 1 A 64 64 THR H H 64 8.084 8.179 -0.095 1
1 757 . 7 1 1 A 64 64 THR HA H 64 4.313 4.545 -0.232 1
1 762 . 7 1 1 A 64 64 THR C C 64 174.558 175.272 -0.714 1
1 763 . 7 1 1 A 64 64 THR CA C 64 62.606 63.427 -0.821 1
1 764 . 7 1 1 A 64 64 THR CB C 64 70.496 70.674 -0.178 1
1 766 . 7 1 1 A 64 64 THR N N 64 116.779 115.791 0.988 1
1 767 . 7 1 1 A 65 65 GLU H H 65 8.404 7.958 0.446 1
1 768 . 7 1 1 A 65 65 GLU HA H 65 4.314 4.140 0.174 1
1 773 . 7 1 1 A 65 65 GLU C C 65 175.016 178.636 -3.620 1
1 774 . 7 1 1 A 65 65 GLU CA C 65 57.750 59.034 -1.284 1
1 775 . 7 1 1 A 65 65 GLU CB C 65 30.083 29.299 0.784 1
1 777 . 7 1 1 A 65 65 GLU N N 65 122.323 120.869 1.454 1
1 778 . 7 1 1 A 66 66 GLU H H 66 8.397 7.918 0.479 1
1 779 . 7 1 1 A 66 66 GLU HA H 66 4.224 4.505 -0.281 1
1 784 . 7 1 1 A 66 66 GLU C C 66 176.855 177.076 -0.221 1
1 785 . 7 1 1 A 66 66 GLU CA C 66 58.023 56.603 1.420 1
1 786 . 7 1 1 A 66 66 GLU CB C 66 29.857 30.480 -0.623 1
1 788 . 7 1 1 A 66 66 GLU N N 66 122.201 115.159 7.042 1
1 789 . 7 1 1 A 67 67 GLY H H 67 8.376 7.944 0.432 1
1 790 . 7 1 1 A 67 67 GLY HA2 H 67 3.834 4.057 -0.223 1
1 791 . 7 1 1 A 67 67 GLY HA3 H 67 3.834 4.058 -0.224 1
1 792 . 7 1 1 A 67 67 GLY C C 67 173.071 175.071 -2.000 1
1 793 . 7 1 1 A 67 67 GLY CA C 67 45.871 45.264 0.607 1
1 794 . 7 1 1 A 67 67 GLY N N 67 109.499 108.219 1.280 1
1 795 . 7 1 1 A 68 68 ARG H H 68 8.011 8.443 -0.432 1
1 796 . 7 1 1 A 68 68 ARG HA H 68 4.482 4.025 0.457 1
1 808 . 7 1 1 A 68 68 ARG C C 68 177.494 178.166 -0.672 1
1 809 . 7 1 1 A 68 68 ARG CA C 68 57.574 58.478 -0.904 1
1 810 . 7 1 1 A 68 68 ARG CB C 68 30.325 30.207 0.118 1
1 813 . 7 1 1 A 68 68 ARG N N 68 122.501 123.386 -0.885 1
1 815 . 7 1 1 A 69 69 LYS H H 69 7.986 7.982 0.004 1
1 816 . 7 1 1 A 69 69 LYS HA H 69 4.150 4.125 0.025 1
1 825 . 7 1 1 A 69 69 LYS C C 69 178.168 178.825 -0.657 1
1 826 . 7 1 1 A 69 69 LYS CA C 69 57.781 57.981 -0.200 1
1 827 . 7 1 1 A 69 69 LYS CB C 69 32.705 32.189 0.516 1
1 831 . 7 1 1 A 69 69 LYS N N 69 120.934 118.119 2.815 1
1 832 . 7 1 1 A 70 70 VAL H H 70 7.848 8.364 -0.516 1
1 833 . 7 1 1 A 70 70 VAL HA H 70 4.088 3.590 0.498 1
1 841 . 7 1 1 A 70 70 VAL C C 70 175.998 177.864 -1.866 1
1 842 . 7 1 1 A 70 70 VAL CA C 70 64.206 66.324 -2.118 1
1 843 . 7 1 1 A 70 70 VAL CB C 70 31.873 31.486 0.387 1
1 846 . 7 1 1 A 70 70 VAL N N 70 120.324 119.993 0.331 1
1 847 . 7 1 1 A 71 71 ALA H H 71 8.300 7.979 0.321 1
1 848 . 7 1 1 A 71 71 ALA HA H 71 4.221 3.929 0.292 1
1 852 . 7 1 1 A 71 71 ALA C C 71 178.225 179.274 -1.049 1
1 853 . 7 1 1 A 71 71 ALA CA C 71 53.106 55.598 -2.492 1
1 854 . 7 1 1 A 71 71 ALA CB C 71 19.128 18.065 1.063 1
1 855 . 7 1 1 A 71 71 ALA N N 71 127.025 122.224 4.801 1
1 856 . 7 1 1 A 72 72 GLU H H 72 8.181 8.209 -0.028 1
1 857 . 7 1 1 A 72 72 GLU HA H 72 4.219 4.010 0.209 1
1 862 . 7 1 1 A 72 72 GLU C C 72 176.779 178.761 -1.982 1
1 863 . 7 1 1 A 72 72 GLU CA C 72 56.776 59.611 -2.835 1
1 864 . 7 1 1 A 72 72 GLU CB C 72 28.610 29.025 -0.415 1
1 866 . 7 1 1 A 72 72 GLU N N 72 123.008 118.179 4.829 1
1 867 . 7 1 1 A 73 73 GLN H H 73 8.132 7.537 0.595 1
1 868 . 7 1 1 A 73 73 GLN HA H 73 4.141 4.072 0.069 1
1 875 . 7 1 1 A 73 73 GLN C C 73 175.803 178.690 -2.887 1
1 876 . 7 1 1 A 73 73 GLN CA C 73 56.456 58.636 -2.180 1
1 877 . 7 1 1 A 73 73 GLN CB C 73 28.290 28.562 -0.272 1
1 879 . 7 1 1 A 73 73 GLN N N 73 120.564 119.169 1.395 1
1 881 . 7 1 1 A 74 74 VAL H H 74 8.088 7.688 0.400 1
1 882 . 7 1 1 A 74 74 VAL HA H 74 3.986 3.456 0.530 1
1 890 . 7 1 1 A 74 74 VAL C C 74 176.167 177.765 -1.598 1
1 891 . 7 1 1 A 74 74 VAL CA C 74 63.123 66.354 -3.231 1
1 892 . 7 1 1 A 74 74 VAL CB C 74 30.082 31.435 -1.353 1
1 895 . 7 1 1 A 74 74 VAL N N 74 121.828 119.382 2.446 1
1 896 . 7 1 1 A 75 75 MET H H 75 8.167 8.142 0.025 1
1 897 . 7 1 1 A 75 75 MET HA H 75 4.093 4.069 0.024 1
1 903 . 7 1 1 A 75 75 MET C C 75 176.455 178.395 -1.940 1
1 904 . 7 1 1 A 75 75 MET N N 75 123.990 117.119 6.871 1
1 905 . 7 1 1 A 76 76 LYS H H 76 8.287 8.011 0.276 1
1 906 . 7 1 1 A 76 76 LYS HA H 76 4.234 4.036 0.198 1
1 915 . 7 1 1 A 76 76 LYS C C 76 176.220 178.564 -2.344 1
1 916 . 7 1 1 A 76 76 LYS CA C 76 56.765 58.747 -1.982 1
1 917 . 7 1 1 A 76 76 LYS CB C 76 33.055 32.289 0.766 1
1 921 . 7 1 1 A 76 76 LYS N N 76 122.725 119.883 2.842 1
1 922 . 7 1 1 A 77 77 ALA H H 77 8.308 8.389 -0.081 1
1 923 . 7 1 1 A 77 77 ALA HA H 77 4.213 4.014 0.199 1
1 927 . 7 1 1 A 77 77 ALA C C 77 178.097 179.963 -1.866 1
1 928 . 7 1 1 A 77 77 ALA CA C 77 52.740 55.109 -2.369 1
1 929 . 7 1 1 A 77 77 ALA CB C 77 19.427 18.378 1.049 1
1 930 . 7 1 1 A 77 77 ALA N N 77 125.316 121.889 3.427 1
1 931 . 7 1 1 A 78 78 GLY H H 78 8.284 8.371 -0.087 1
1 932 . 7 1 1 A 78 78 GLY HA2 H 78 3.873 3.514 0.359 1
1 933 . 7 1 1 A 78 78 GLY HA3 H 78 3.873 3.713 0.160 1
1 934 . 7 1 1 A 78 78 GLY C C 78 174.065 175.556 -1.491 1
1 935 . 7 1 1 A 78 78 GLY CA C 78 45.497 47.368 -1.871 1
1 936 . 7 1 1 A 78 78 GLY N N 78 107.778 106.487 1.291 1
1 937 . 7 1 1 A 79 79 ILE H H 79 7.882 8.208 -0.326 1
1 938 . 7 1 1 A 79 79 ILE HA H 79 4.119 4.006 0.113 1
1 948 . 7 1 1 A 79 79 ILE C C 79 176.160 178.612 -2.452 1
1 949 . 7 1 1 A 79 79 ILE CA C 79 61.436 63.982 -2.546 1
1 950 . 7 1 1 A 79 79 ILE CB C 79 38.904 37.171 1.733 1
1 954 . 7 1 1 A 79 79 ILE N N 79 119.794 122.492 -2.698 1
1 955 . 7 1 1 A 80 80 GLU H H 80 8.354 8.120 0.234 1
1 956 . 7 1 1 A 80 80 GLU HA H 80 4.282 3.972 0.310 1
1 961 . 7 1 1 A 80 80 GLU C C 80 176.174 179.451 -3.277 1
1 962 . 7 1 1 A 80 80 GLU CA C 80 57.178 59.144 -1.966 1
1 963 . 7 1 1 A 80 80 GLU CB C 80 30.019 29.357 0.662 1
1 965 . 7 1 1 A 80 80 GLU N N 80 124.311 119.525 4.786 1
1 966 . 7 1 1 A 81 81 VAL H H 81 8.205 7.536 0.669 1
1 967 . 7 1 1 A 81 81 VAL HA H 81 3.985 3.451 0.534 1
1 975 . 7 1 1 A 81 81 VAL C C 81 175.815 177.927 -2.112 1
1 976 . 7 1 1 A 81 81 VAL CA C 81 62.865 66.294 -3.429 1
1 977 . 7 1 1 A 81 81 VAL CB C 81 32.629 31.443 1.186 1
1 980 . 7 1 1 A 81 81 VAL N N 81 121.106 120.456 0.650 1
1 981 . 7 1 1 A 82 82 PHE H H 82 8.252 7.889 0.363 1
1 982 . 7 1 1 A 82 82 PHE HA H 82 4.551 4.199 0.352 1
1 990 . 7 1 1 A 82 82 PHE C C 82 175.631 177.649 -2.018 1
1 991 . 7 1 1 A 82 82 PHE CA C 82 58.206 61.680 -3.474 1
1 992 . 7 1 1 A 82 82 PHE CB C 82 39.431 37.703 1.728 1
1 993 . 7 1 1 A 82 82 PHE N N 82 123.622 118.125 5.497 1
1 994 . 7 1 1 A 83 83 ALA H H 83 8.184 8.336 -0.152 1
1 995 . 7 1 1 A 83 83 ALA HA H 83 4.230 4.206 0.024 1
1 999 . 7 1 1 A 83 83 ALA C C 83 178.025 180.153 -2.128 1
1 1000 . 7 1 1 A 83 83 ALA CA C 83 52.731 54.661 -1.930 1
1 1001 . 7 1 1 A 83 83 ALA CB C 83 19.359 18.873 0.486 1
1 1002 . 7 1 1 A 83 83 ALA N N 83 125.081 121.899 3.182 1
1 1003 . 7 1 1 A 84 84 LEU H H 84 8.104 8.137 -0.033 1
1 1004 . 7 1 1 A 84 84 LEU HA H 84 4.167 4.053 0.114 1
1 1014 . 7 1 1 A 84 84 LEU C C 84 176.390 178.594 -2.204 1
1 1015 . 7 1 1 A 84 84 LEU CA C 84 55.786 57.684 -1.898 1
1 1016 . 7 1 1 A 84 84 LEU CB C 84 42.179 41.533 0.646 1
1 1020 . 7 1 1 A 84 84 LEU N N 84 119.064 120.602 -1.538 1
1 1021 . 7 1 1 A 85 85 VAL H H 85 8.155 7.447 0.708 1
1 1022 . 7 1 1 A 85 85 VAL HA H 85 4.073 3.988 0.085 1
1 1030 . 7 1 1 A 85 85 VAL C C 85 176.521 177.646 -1.125 1
1 1031 . 7 1 1 A 85 85 VAL CA C 85 62.762 64.412 -1.650 1
1 1032 . 7 1 1 A 85 85 VAL CB C 85 32.498 31.609 0.889 1
1 1035 . 7 1 1 A 85 85 VAL N N 85 121.743 114.692 7.051 1
1 1036 . 7 1 1 A 86 86 THR H H 86 8.052 7.855 0.197 1
1 1037 . 7 1 1 A 86 86 THR HA H 86 4.141 3.944 0.197 1
1 1042 . 7 1 1 A 86 86 THR C C 86 174.706 176.236 -1.530 1
1 1043 . 7 1 1 A 86 86 THR CA C 86 62.351 66.148 -3.797 1
1 1044 . 7 1 1 A 86 86 THR CB C 86 69.618 68.611 1.007 1
1 1046 . 7 1 1 A 86 86 THR N N 86 117.693 116.561 1.132 1
1 1047 . 7 1 1 A 87 87 ALA H H 87 8.216 8.375 -0.159 1
1 1048 . 7 1 1 A 87 87 ALA HA H 87 4.170 3.955 0.215 1
1 1052 . 7 1 1 A 87 87 ALA C C 87 178.003 179.596 -1.593 1
1 1053 . 7 1 1 A 87 87 ALA CA C 87 52.967 55.589 -2.622 1
1 1054 . 7 1 1 A 87 87 ALA CB C 87 18.326 17.886 0.440 1
1 1055 . 7 1 1 A 87 87 ALA N N 87 126.174 123.565 2.609 1
1 1056 . 7 1 1 A 88 88 ALA H H 88 8.129 7.871 0.258 1
1 1057 . 7 1 1 A 88 88 ALA HA H 88 4.147 3.378 0.769 1
1 1061 . 7 1 1 A 88 88 ALA C C 88 178.246 180.021 -1.775 1
1 1062 . 7 1 1 A 88 88 ALA CA C 88 52.961 54.600 -1.639 1
1 1063 . 7 1 1 A 88 88 ALA CB C 88 19.290 18.131 1.159 1
1 1064 . 7 1 1 A 88 88 ALA N N 88 122.649 120.677 1.972 1
1 1065 . 7 1 1 A 89 89 LEU H H 89 7.992 7.857 0.135 1
1 1066 . 7 1 1 A 89 89 LEU HA H 89 4.153 4.007 0.146 1
1 1076 . 7 1 1 A 89 89 LEU C C 89 176.375 179.608 -3.233 1
1 1077 . 7 1 1 A 89 89 LEU CA C 89 57.099 57.942 -0.843 1
1 1078 . 7 1 1 A 89 89 LEU CB C 89 42.055 40.935 1.120 1
1 1082 . 7 1 1 A 89 89 LEU N N 89 120.616 119.225 1.391 1
1 1083 . 7 1 1 A 90 90 ALA H H 90 8.168 8.499 -0.331 1
1 1084 . 7 1 1 A 90 90 ALA HA H 90 4.218 4.267 -0.049 1
1 1088 . 7 1 1 A 90 90 ALA C C 90 178.487 180.073 -1.586 1
1 1089 . 7 1 1 A 90 90 ALA CA C 90 53.043 55.178 -2.135 1
1 1090 . 7 1 1 A 90 90 ALA CB C 90 19.269 18.433 0.836 1
1 1091 . 7 1 1 A 90 90 ALA N N 90 124.243 122.786 1.457 1
1 1092 . 7 1 1 A 91 91 THR H H 91 7.988 8.106 -0.118 1
1 1093 . 7 1 1 A 91 91 THR HA H 91 4.181 4.058 0.123 1
1 1098 . 7 1 1 A 91 91 THR C C 91 174.931 176.554 -1.623 1
1 1099 . 7 1 1 A 91 91 THR CA C 91 62.190 64.379 -2.189 1
1 1100 . 7 1 1 A 91 91 THR CB C 91 69.198 68.719 0.479 1
1 1102 . 7 1 1 A 91 91 THR N N 91 112.659 110.743 1.916 1
1 1103 . 7 1 1 A 92 92 ASP H H 92 8.254 8.178 0.076 1
1 1104 . 7 1 1 A 92 92 ASP HA H 92 4.541 4.361 0.180 1
1 1107 . 7 1 1 A 92 92 ASP C C 92 175.823 177.990 -2.167 1
1 1108 . 7 1 1 A 92 92 ASP CA C 92 53.570 56.992 -3.422 1
1 1109 . 7 1 1 A 92 92 ASP CB C 92 38.750 40.629 -1.879 1
1 1110 . 7 1 1 A 92 92 ASP N N 92 120.688 122.992 -2.304 1
1 1111 . 7 1 1 A 93 93 PHE H H 93 8.048 8.244 -0.196 1
1 1112 . 7 1 1 A 93 93 PHE HA H 93 4.547 4.398 0.149 1
1 1120 . 7 1 1 A 93 93 PHE C C 93 176.384 177.990 -1.606 1
1 1121 . 7 1 1 A 93 93 PHE CA C 93 58.633 59.934 -1.301 1
1 1122 . 7 1 1 A 93 93 PHE CB C 93 39.451 37.943 1.508 1
1 1123 . 7 1 1 A 93 93 PHE N N 93 120.763 117.823 2.940 1
1 1124 . 7 1 1 A 94 94 VAL H H 94 7.904 7.904 0.000 1
1 1125 . 7 1 1 A 94 94 VAL HA H 94 4.364 3.127 1.237 1
1 1133 . 7 1 1 A 94 94 VAL C C 94 176.851 178.108 -1.257 1
1 1134 . 7 1 1 A 94 94 VAL CA C 94 63.297 65.950 -2.653 1
1 1135 . 7 1 1 A 94 94 VAL CB C 94 29.241 31.111 -1.870 1
1 1138 . 7 1 1 A 94 94 VAL N N 94 121.478 120.682 0.796 1
1 1139 . 7 1 1 A 95 95 ARG H H 95 8.146 7.711 0.435 1
1 1140 . 7 1 1 A 95 95 ARG HA H 95 4.134 4.005 0.129 1
1 1152 . 7 1 1 A 95 95 ARG C C 95 177.395 178.418 -1.023 1
1 1153 . 7 1 1 A 95 95 ARG CA C 95 55.978 58.786 -2.808 1
1 1154 . 7 1 1 A 95 95 ARG CB C 95 31.070 29.594 1.476 1
1 1157 . 7 1 1 A 95 95 ARG N N 95 122.920 120.209 2.711 1
1 1159 . 7 1 1 A 96 96 ARG H H 96 8.313 8.223 0.090 1
1 1160 . 7 1 1 A 96 96 ARG HA H 96 4.180 4.168 0.012 1
1 1172 . 7 1 1 A 96 96 ARG C C 96 176.839 178.731 -1.892 1
1 1173 . 7 1 1 A 96 96 ARG CA C 96 56.831 58.029 -1.198 1
1 1174 . 7 1 1 A 96 96 ARG CB C 96 30.952 29.467 1.485 1
1 1177 . 7 1 1 A 96 96 ARG N N 96 121.064 117.514 3.550 1
1 1179 . 7 1 1 A 97 97 GLU H H 97 8.356 8.174 0.182 1
1 1180 . 7 1 1 A 97 97 GLU HA H 97 4.220 4.123 0.097 1
1 1185 . 7 1 1 A 97 97 GLU C C 97 176.319 179.273 -2.954 1
1 1186 . 7 1 1 A 97 97 GLU CA C 97 57.408 59.122 -1.714 1
1 1187 . 7 1 1 A 97 97 GLU CB C 97 28.610 28.939 -0.329 1
1 1189 . 7 1 1 A 97 97 GLU N N 97 121.754 120.297 1.457 1
1 1190 . 7 1 1 A 98 98 GLU H H 98 8.328 8.367 -0.039 1
1 1191 . 7 1 1 A 98 98 GLU HA H 98 4.240 4.104 0.136 1
1 1196 . 7 1 1 A 98 98 GLU C C 98 176.132 179.202 -3.070 1
1 1197 . 7 1 1 A 98 98 GLU CA C 98 57.666 58.859 -1.193 1
1 1198 . 7 1 1 A 98 98 GLU CB C 98 30.045 29.385 0.660 1
1 1200 . 7 1 1 A 98 98 GLU N N 98 121.414 119.388 2.026 1
1 1201 . 7 1 1 A 99 99 GLU H H 99 8.418 7.815 0.603 1
1 1202 . 7 1 1 A 99 99 GLU HA H 99 4.299 4.133 0.166 1
1 1207 . 7 1 1 A 99 99 GLU C C 99 177.021 179.459 -2.438 1
1 1208 . 7 1 1 A 99 99 GLU CA C 99 57.397 59.068 -1.671 1
1 1209 . 7 1 1 A 99 99 GLU CB C 99 30.309 29.197 1.112 1
1 1211 . 7 1 1 A 99 99 GLU N N 99 121.312 120.729 0.583 1
1 1212 . 7 1 1 A 100 100 ARG H H 100 8.013 7.574 0.439 1
1 1213 . 7 1 1 A 100 100 ARG HA H 100 4.180 4.069 0.111 1
1 1225 . 7 1 1 A 100 100 ARG C C 100 176.313 177.865 -1.552 1
1 1226 . 7 1 1 A 100 100 ARG CA C 100 57.238 59.229 -1.991 1
1 1227 . 7 1 1 A 100 100 ARG CB C 100 30.298 30.023 0.275 1
1 1230 . 7 1 1 A 100 100 ARG N N 100 121.871 120.753 1.118 1
1 1232 . 7 1 1 A 101 101 ARG H H 101 8.260 7.277 0.983 1
1 1233 . 7 1 1 A 101 101 ARG HA H 101 4.260 4.365 -0.105 1
1 1245 . 7 1 1 A 101 101 ARG C C 101 176.753 176.524 0.229 1
1 1246 . 7 1 1 A 101 101 ARG CA C 101 56.492 55.663 0.829 1
1 1247 . 7 1 1 A 101 101 ARG CB C 101 30.838 30.852 -0.014 1
1 1250 . 7 1 1 A 101 101 ARG N N 101 122.019 115.700 6.319 1
1 1252 . 7 1 1 A 102 102 GLY H H 102 8.380 7.771 0.609 1
1 1253 . 7 1 1 A 102 102 GLY HA2 H 102 3.849 3.911 -0.062 1
1 1254 . 7 1 1 A 102 102 GLY HA3 H 102 3.849 3.921 -0.072 1
1 1255 . 7 1 1 A 102 102 GLY C C 102 173.145 174.705 -1.560 1
1 1256 . 7 1 1 A 102 102 GLY CA C 102 45.401 45.873 -0.472 1
1 1257 . 7 1 1 A 102 102 GLY N N 102 110.110 108.021 2.089 1
1 9 . 8 1 1 A 2 2 ALA H H 2 8.742 8.527 0.215 1
1 10 . 8 1 1 A 2 2 ALA HA H 2 4.302 4.713 -0.411 1
1 14 . 8 1 1 A 2 2 ALA C C 2 177.216 177.934 -0.718 1
1 15 . 8 1 1 A 2 2 ALA CA C 2 52.876 50.538 2.338 1
1 16 . 8 1 1 A 2 2 ALA CB C 2 19.182 21.230 -2.048 1
1 17 . 8 1 1 A 2 2 ALA N N 2 124.657 130.046 -5.389 1
1 18 . 8 1 1 A 3 3 ASP H H 3 8.432 9.069 -0.637 1
1 19 . 8 1 1 A 3 3 ASP HA H 3 4.530 4.321 0.209 1
1 22 . 8 1 1 A 3 3 ASP C C 3 176.023 178.173 -2.150 1
1 23 . 8 1 1 A 3 3 ASP CA C 3 53.721 57.024 -3.303 1
1 24 . 8 1 1 A 3 3 ASP CB C 3 38.752 40.105 -1.353 1
1 25 . 8 1 1 A 3 3 ASP N N 3 118.729 118.309 0.420 1
1 26 . 8 1 1 A 4 4 HIS H H 4 8.549 8.405 0.144 1
1 27 . 8 1 1 A 4 4 HIS HA H 4 4.568 4.487 0.081 1
1 32 . 8 1 1 A 4 4 HIS C C 4 175.101 177.397 -2.296 1
1 33 . 8 1 1 A 4 4 HIS CA C 4 56.640 58.016 -1.376 1
1 34 . 8 1 1 A 4 4 HIS CB C 4 28.961 28.370 0.591 1
1 37 . 8 1 1 A 4 4 HIS N N 4 119.650 116.841 2.809 1
1 38 . 8 1 1 A 5 5 GLU H H 5 8.330 7.462 0.868 1
1 39 . 8 1 1 A 5 5 GLU HA H 5 4.207 3.974 0.233 1
1 44 . 8 1 1 A 5 5 GLU C C 5 175.749 179.333 -3.584 1
1 45 . 8 1 1 A 5 5 GLU CA C 5 56.594 59.646 -3.052 1
1 46 . 8 1 1 A 5 5 GLU CB C 5 29.285 28.978 0.307 1
1 48 . 8 1 1 A 5 5 GLU N N 5 120.937 121.045 -0.108 1
1 49 . 8 1 1 A 6 6 ARG H H 6 8.325 7.845 0.480 1
1 50 . 8 1 1 A 6 6 ARG HA H 6 4.571 4.059 0.512 1
1 62 . 8 1 1 A 6 6 ARG C C 6 177.578 178.702 -1.124 1
1 63 . 8 1 1 A 6 6 ARG CA C 6 56.716 59.477 -2.761 1
1 64 . 8 1 1 A 6 6 ARG CB C 6 30.744 29.869 0.875 1
1 67 . 8 1 1 A 6 6 ARG N N 6 120.267 119.810 0.457 1
1 69 . 8 1 1 A 7 7 GLU H H 7 8.136 7.996 0.140 1
1 70 . 8 1 1 A 7 7 GLU HA H 7 4.165 4.060 0.105 1
1 75 . 8 1 1 A 7 7 GLU C C 7 177.156 178.644 -1.488 1
1 76 . 8 1 1 A 7 7 GLU CA C 7 57.125 59.412 -2.287 1
1 77 . 8 1 1 A 7 7 GLU CB C 7 30.149 29.326 0.823 1
1 79 . 8 1 1 A 7 7 GLU N N 7 121.008 119.038 1.970 1
1 80 . 8 1 1 A 8 8 ALA H H 8 8.325 7.747 0.578 1
1 81 . 8 1 1 A 8 8 ALA HA H 8 4.212 4.109 0.103 1
1 85 . 8 1 1 A 8 8 ALA C C 8 178.913 179.663 -0.750 1
1 86 . 8 1 1 A 8 8 ALA CA C 8 52.832 55.089 -2.257 1
1 87 . 8 1 1 A 8 8 ALA CB C 8 18.909 18.161 0.748 1
1 88 . 8 1 1 A 8 8 ALA N N 8 124.538 121.069 3.469 1
1 89 . 8 1 1 A 9 9 GLN H H 9 8.159 7.771 0.388 1
1 90 . 8 1 1 A 9 9 GLN HA H 9 4.140 4.127 0.013 1
1 97 . 8 1 1 A 9 9 GLN C C 9 175.771 179.207 -3.436 1
1 98 . 8 1 1 A 9 9 GLN CA C 9 57.655 58.374 -0.719 1
1 99 . 8 1 1 A 9 9 GLN CB C 9 28.606 28.448 0.158 1
1 101 . 8 1 1 A 9 9 GLN N N 9 124.103 117.809 6.294 1
1 103 . 8 1 1 A 10 10 LYS H H 10 8.148 8.194 -0.046 1
1 104 . 8 1 1 A 10 10 LYS HA H 10 4.204 4.038 0.166 1
1 113 . 8 1 1 A 10 10 LYS C C 10 177.798 179.093 -1.295 1
1 114 . 8 1 1 A 10 10 LYS CA C 10 57.139 59.154 -2.015 1
1 115 . 8 1 1 A 10 10 LYS CB C 10 33.040 32.180 0.860 1
1 119 . 8 1 1 A 10 10 LYS N N 10 120.635 119.958 0.677 1
1 120 . 8 1 1 A 11 11 ALA H H 11 8.148 7.890 0.258 1
1 121 . 8 1 1 A 11 11 ALA HA H 11 4.140 4.009 0.131 1
1 125 . 8 1 1 A 11 11 ALA C C 11 178.173 180.192 -2.019 1
1 126 . 8 1 1 A 11 11 ALA CA C 11 53.351 55.229 -1.878 1
1 127 . 8 1 1 A 11 11 ALA CB C 11 19.128 18.625 0.503 1
1 128 . 8 1 1 A 11 11 ALA N N 11 123.171 122.109 1.062 1
1 129 . 8 1 1 A 12 12 GLU H H 12 8.248 7.820 0.428 1
1 130 . 8 1 1 A 12 12 GLU HA H 12 4.222 3.985 0.237 1
1 135 . 8 1 1 A 12 12 GLU C C 12 176.385 178.795 -2.410 1
1 136 . 8 1 1 A 12 12 GLU CA C 12 57.442 59.684 -2.242 1
1 137 . 8 1 1 A 12 12 GLU CB C 12 30.001 29.270 0.731 1
1 139 . 8 1 1 A 12 12 GLU N N 12 119.451 117.976 1.475 1
1 140 . 8 1 1 A 13 13 GLU H H 13 8.372 7.522 0.850 1
1 141 . 8 1 1 A 13 13 GLU HA H 13 4.265 4.064 0.201 1
1 146 . 8 1 1 A 13 13 GLU C C 13 178.060 178.591 -0.531 1
1 147 . 8 1 1 A 13 13 GLU CA C 13 56.828 59.108 -2.280 1
1 148 . 8 1 1 A 13 13 GLU CB C 13 30.082 28.947 1.135 1
1 150 . 8 1 1 A 13 13 GLU N N 13 121.080 119.301 1.779 1
1 151 . 8 1 1 A 14 14 GLU H H 14 8.152 7.902 0.250 1
1 152 . 8 1 1 A 14 14 GLU HA H 14 4.142 4.158 -0.016 1
1 157 . 8 1 1 A 14 14 GLU C C 14 176.274 178.594 -2.320 1
1 158 . 8 1 1 A 14 14 GLU CA C 14 56.892 59.017 -2.125 1
1 159 . 8 1 1 A 14 14 GLU CB C 14 28.169 29.352 -1.183 1
1 161 . 8 1 1 A 14 14 GLU N N 14 120.236 119.972 0.264 1
1 162 . 8 1 1 A 15 15 LEU H H 15 8.301 7.875 0.426 1
1 163 . 8 1 1 A 15 15 LEU HA H 15 4.224 3.984 0.240 1
1 173 . 8 1 1 A 15 15 LEU C C 15 177.983 178.638 -0.655 1
1 174 . 8 1 1 A 15 15 LEU CA C 15 56.344 57.777 -1.433 1
1 175 . 8 1 1 A 15 15 LEU CB C 15 42.250 41.397 0.853 1
1 179 . 8 1 1 A 15 15 LEU N N 15 123.072 121.393 1.679 1
1 180 . 8 1 1 A 16 16 GLN H H 16 8.132 8.081 0.051 1
1 181 . 8 1 1 A 16 16 GLN HA H 16 4.145 4.065 0.080 1
1 188 . 8 1 1 A 16 16 GLN C C 16 177.674 178.858 -1.184 1
1 189 . 8 1 1 A 16 16 GLN CA C 16 57.971 59.068 -1.097 1
1 190 . 8 1 1 A 16 16 GLN CB C 16 29.889 28.075 1.814 1
1 192 . 8 1 1 A 16 16 GLN N N 16 119.160 117.969 1.191 1
1 194 . 8 1 1 A 17 17 LYS H H 17 8.214 7.501 0.713 1
1 195 . 8 1 1 A 17 17 LYS HA H 17 4.140 4.211 -0.071 1
1 204 . 8 1 1 A 17 17 LYS C C 17 177.646 179.347 -1.701 1
1 205 . 8 1 1 A 17 17 LYS CA C 17 57.115 58.870 -1.755 1
1 206 . 8 1 1 A 17 17 LYS CB C 17 32.833 31.809 1.024 1
1 210 . 8 1 1 A 17 17 LYS N N 17 120.310 121.335 -1.025 1
1 211 . 8 1 1 A 18 18 VAL H H 18 7.871 7.717 0.154 1
1 212 . 8 1 1 A 18 18 VAL HA H 18 4.108 3.559 0.549 1
1 220 . 8 1 1 A 18 18 VAL C C 18 177.476 178.050 -0.574 1
1 221 . 8 1 1 A 18 18 VAL CA C 18 63.634 66.205 -2.571 1
1 222 . 8 1 1 A 18 18 VAL CB C 18 31.886 31.419 0.467 1
1 225 . 8 1 1 A 18 18 VAL N N 18 120.571 120.451 0.120 1
1 226 . 8 1 1 A 19 19 LEU H H 19 8.180 7.909 0.271 1
1 227 . 8 1 1 A 19 19 LEU HA H 19 4.042 3.859 0.183 1
1 237 . 8 1 1 A 19 19 LEU C C 19 179.462 179.684 -0.222 1
1 238 . 8 1 1 A 19 19 LEU CA C 19 57.653 58.195 -0.542 1
1 239 . 8 1 1 A 19 19 LEU CB C 19 41.800 41.136 0.664 1
1 243 . 8 1 1 A 19 19 LEU N N 19 122.936 120.375 2.561 1
1 244 . 8 1 1 A 20 20 GLU H H 20 8.122 7.829 0.293 1
1 245 . 8 1 1 A 20 20 GLU HA H 20 4.156 4.001 0.155 1
1 250 . 8 1 1 A 20 20 GLU C C 20 178.001 179.177 -1.176 1
1 251 . 8 1 1 A 20 20 GLU CA C 20 58.045 59.940 -1.895 1
1 252 . 8 1 1 A 20 20 GLU CB C 20 30.092 29.456 0.636 1
1 254 . 8 1 1 A 20 20 GLU N N 20 118.745 117.820 0.925 1
1 255 . 8 1 1 A 21 21 GLU H H 21 8.190 7.758 0.432 1
1 256 . 8 1 1 A 21 21 GLU HA H 21 4.144 4.171 -0.027 1
1 261 . 8 1 1 A 21 21 GLU C C 21 177.290 178.481 -1.191 1
1 262 . 8 1 1 A 21 21 GLU CA C 21 58.109 59.115 -1.006 1
1 263 . 8 1 1 A 21 21 GLU CB C 21 29.868 29.190 0.678 1
1 265 . 8 1 1 A 21 21 GLU N N 21 119.542 119.874 -0.332 1
1 266 . 8 1 1 A 22 22 ALA H H 22 8.092 8.701 -0.609 1
1 267 . 8 1 1 A 22 22 ALA HA H 22 4.173 4.142 0.031 1
1 271 . 8 1 1 A 22 22 ALA C C 22 179.020 179.725 -0.705 1
1 272 . 8 1 1 A 22 22 ALA CA C 22 53.944 55.387 -1.443 1
1 273 . 8 1 1 A 22 22 ALA CB C 22 18.578 18.136 0.442 1
1 274 . 8 1 1 A 22 22 ALA N N 22 123.378 122.030 1.348 1
1 275 . 8 1 1 A 23 23 SER H H 23 8.079 8.094 -0.015 1
1 276 . 8 1 1 A 23 23 SER HA H 23 4.300 4.224 0.076 1
1 279 . 8 1 1 A 23 23 SER C C 23 173.125 176.107 -2.982 1
1 280 . 8 1 1 A 23 23 SER CA C 23 59.414 61.421 -2.007 1
1 281 . 8 1 1 A 23 23 SER CB C 23 63.520 62.851 0.669 1
1 282 . 8 1 1 A 23 23 SER N N 23 114.637 113.510 1.127 1
1 283 . 8 1 1 A 24 24 LYS H H 24 8.032 7.769 0.263 1
1 284 . 8 1 1 A 24 24 LYS HA H 24 4.325 4.245 0.080 1
1 293 . 8 1 1 A 24 24 LYS C C 24 175.423 178.809 -3.386 1
1 294 . 8 1 1 A 24 24 LYS CA C 24 57.273 59.518 -2.245 1
1 295 . 8 1 1 A 24 24 LYS CB C 24 31.200 32.501 -1.301 1
1 299 . 8 1 1 A 24 24 LYS N N 24 122.635 121.097 1.538 1
1 300 . 8 1 1 A 25 25 LYS H H 25 8.042 7.898 0.144 1
1 301 . 8 1 1 A 25 25 LYS HA H 25 4.169 4.060 0.109 1
1 310 . 8 1 1 A 25 25 LYS C C 25 177.025 179.314 -2.289 1
1 311 . 8 1 1 A 25 25 LYS CA C 25 56.876 59.782 -2.906 1
1 312 . 8 1 1 A 25 25 LYS CB C 25 31.200 32.466 -1.266 1
1 316 . 8 1 1 A 25 25 LYS N N 25 121.079 119.237 1.842 1
1 317 . 8 1 1 A 26 26 ALA H H 26 8.103 8.548 -0.445 1
1 318 . 8 1 1 A 26 26 ALA HA H 26 4.196 3.962 0.234 1
1 322 . 8 1 1 A 26 26 ALA C C 26 178.418 180.257 -1.839 1
1 323 . 8 1 1 A 26 26 ALA CA C 26 53.049 55.266 -2.217 1
1 324 . 8 1 1 A 26 26 ALA CB C 26 19.055 18.137 0.918 1
1 325 . 8 1 1 A 26 26 ALA N N 26 124.589 122.447 2.142 1
1 326 . 8 1 1 A 27 27 VAL H H 27 8.030 7.949 0.081 1
1 327 . 8 1 1 A 27 27 VAL HA H 27 3.945 3.433 0.512 1
1 335 . 8 1 1 A 27 27 VAL C C 27 179.177 177.514 1.663 1
1 336 . 8 1 1 A 27 27 VAL CA C 27 63.001 66.658 -3.657 1
1 337 . 8 1 1 A 27 27 VAL CB C 27 32.449 31.500 0.949 1
1 340 . 8 1 1 A 27 27 VAL N N 27 119.340 118.712 0.628 1
1 341 . 8 1 1 A 28 28 GLU H H 28 8.187 7.790 0.397 1
1 342 . 8 1 1 A 28 28 GLU HA H 28 4.166 4.052 0.114 1
1 347 . 8 1 1 A 28 28 GLU C C 28 176.411 179.456 -3.045 1
1 348 . 8 1 1 A 28 28 GLU CA C 28 57.290 59.110 -1.820 1
1 349 . 8 1 1 A 28 28 GLU CB C 28 30.025 28.422 1.603 1
1 351 . 8 1 1 A 28 28 GLU N N 28 120.351 119.377 0.974 1
1 352 . 8 1 1 A 29 29 ALA H H 29 8.173 8.646 -0.473 1
1 353 . 8 1 1 A 29 29 ALA HA H 29 4.230 4.053 0.177 1
1 357 . 8 1 1 A 29 29 ALA C C 29 176.924 179.600 -2.676 1
1 358 . 8 1 1 A 29 29 ALA CA C 29 53.338 54.973 -1.635 1
1 359 . 8 1 1 A 29 29 ALA CB C 29 18.964 18.363 0.601 1
1 360 . 8 1 1 A 29 29 ALA N N 29 124.463 123.109 1.354 1
1 361 . 8 1 1 A 30 30 GLU H H 30 8.239 7.867 0.372 1
1 362 . 8 1 1 A 30 30 GLU HA H 30 4.251 4.114 0.137 1
1 367 . 8 1 1 A 30 30 GLU C C 30 175.016 177.298 -2.282 1
1 368 . 8 1 1 A 30 30 GLU CA C 30 58.033 58.335 -0.302 1
1 369 . 8 1 1 A 30 30 GLU CB C 30 29.996 29.541 0.455 1
1 371 . 8 1 1 A 30 30 GLU N N 30 122.971 117.569 5.402 1
1 372 . 8 1 1 A 31 31 ARG H H 31 8.261 7.569 0.692 1
1 373 . 8 1 1 A 31 31 ARG HA H 31 4.255 4.275 -0.020 1
1 385 . 8 1 1 A 31 31 ARG C C 31 176.727 176.937 -0.210 1
1 386 . 8 1 1 A 31 31 ARG CA C 31 56.565 56.472 0.093 1
1 387 . 8 1 1 A 31 31 ARG CB C 31 30.783 28.741 2.042 1
1 390 . 8 1 1 A 31 31 ARG N N 31 121.894 119.035 2.859 1
1 392 . 8 1 1 A 32 32 GLY H H 32 8.302 8.385 -0.083 1
1 393 . 8 1 1 A 32 32 GLY HA2 H 32 3.852 4.058 -0.206 1
1 394 . 8 1 1 A 32 32 GLY HA3 H 32 3.852 4.059 -0.207 1
1 395 . 8 1 1 A 32 32 GLY C C 32 173.994 174.639 -0.645 1
1 396 . 8 1 1 A 32 32 GLY CA C 32 45.077 45.246 -0.169 1
1 397 . 8 1 1 A 32 32 GLY N N 32 109.773 112.885 -3.112 1
1 398 . 8 1 1 A 33 33 ALA H H 33 8.011 7.871 0.140 1
1 399 . 8 1 1 A 33 33 ALA HA H 33 4.212 4.486 -0.274 1
1 403 . 8 1 1 A 33 33 ALA CA C 33 50.522 50.709 -0.187 1
1 404 . 8 1 1 A 33 33 ALA CB C 33 18.962 19.273 -0.311 1
1 405 . 8 1 1 A 33 33 ALA N N 33 123.601 124.056 -0.455 1
1 406 . 8 1 1 A 34 34 PRO HA H 34 4.352 4.291 0.061 1
1 413 . 8 1 1 A 34 34 PRO C C 34 177.746 177.539 0.207 1
1 414 . 8 1 1 A 34 34 PRO CA C 34 63.520 63.749 -0.229 1
1 415 . 8 1 1 A 34 34 PRO CB C 34 31.938 31.454 0.484 1
1 418 . 8 1 1 A 35 35 GLY H H 35 8.433 8.789 -0.356 1
1 419 . 8 1 1 A 35 35 GLY HA2 H 35 3.848 3.915 -0.067 1
1 420 . 8 1 1 A 35 35 GLY HA3 H 35 3.848 3.916 -0.068 1
1 421 . 8 1 1 A 35 35 GLY C C 35 173.266 175.002 -1.736 1
1 422 . 8 1 1 A 35 35 GLY CA C 35 45.405 45.803 -0.398 1
1 423 . 8 1 1 A 35 35 GLY N N 35 109.298 111.955 -2.657 1
1 424 . 8 1 1 A 36 36 ALA H H 36 8.095 7.859 0.236 1
1 425 . 8 1 1 A 36 36 ALA HA H 36 4.196 4.274 -0.078 1
1 429 . 8 1 1 A 36 36 ALA C C 36 177.944 176.801 1.143 1
1 430 . 8 1 1 A 36 36 ALA CA C 36 52.551 52.399 0.152 1
1 431 . 8 1 1 A 36 36 ALA CB C 36 19.485 19.714 -0.229 1
1 432 . 8 1 1 A 36 36 ALA N N 36 124.605 122.722 1.883 1
1 433 . 8 1 1 A 37 37 ALA H H 37 8.199 8.797 -0.598 1
1 434 . 8 1 1 A 37 37 ALA HA H 37 4.491 4.531 -0.040 1
1 438 . 8 1 1 A 37 37 ALA C C 37 177.456 176.948 0.508 1
1 439 . 8 1 1 A 37 37 ALA CA C 37 52.453 52.496 -0.043 1
1 440 . 8 1 1 A 37 37 ALA CB C 37 19.060 21.535 -2.475 1
1 441 . 8 1 1 A 37 37 ALA N N 37 123.695 122.596 1.099 1
1 442 . 8 1 1 A 38 38 LEU H H 38 8.099 7.675 0.424 1
1 443 . 8 1 1 A 38 38 LEU HA H 38 4.243 4.621 -0.378 1
1 453 . 8 1 1 A 38 38 LEU C C 38 177.358 175.414 1.944 1
1 454 . 8 1 1 A 38 38 LEU CA C 38 55.218 54.306 0.912 1
1 455 . 8 1 1 A 38 38 LEU CB C 38 42.228 43.790 -1.562 1
1 459 . 8 1 1 A 38 38 LEU N N 38 121.531 119.245 2.286 1
1 460 . 8 1 1 A 39 39 ILE H H 39 7.966 8.526 -0.560 1
1 461 . 8 1 1 A 39 39 ILE HA H 39 4.136 4.688 -0.552 1
1 471 . 8 1 1 A 39 39 ILE C C 39 175.586 174.896 0.690 1
1 472 . 8 1 1 A 39 39 ILE CA C 39 60.873 58.993 1.880 1
1 473 . 8 1 1 A 39 39 ILE CB C 39 38.727 41.298 -2.571 1
1 477 . 8 1 1 A 39 39 ILE N N 39 121.669 121.542 0.127 1
1 478 . 8 1 1 A 40 40 SER H H 40 8.101 8.962 -0.861 1
1 479 . 8 1 1 A 40 40 SER HA H 40 4.347 4.527 -0.180 1
1 482 . 8 1 1 A 40 40 SER C C 40 173.336 174.022 -0.686 1
1 483 . 8 1 1 A 40 40 SER CA C 40 57.331 59.014 -1.683 1
1 484 . 8 1 1 A 40 40 SER CB C 40 63.983 62.229 1.754 1
1 485 . 8 1 1 A 40 40 SER N N 40 119.591 117.158 2.433 1
1 486 . 8 1 1 A 41 41 TYR H H 41 8.100 8.759 -0.659 1
1 487 . 8 1 1 A 41 41 TYR HA H 41 4.436 4.330 0.106 1
1 494 . 8 1 1 A 41 41 TYR CA C 41 56.067 62.619 -6.552 1
1 495 . 8 1 1 A 41 41 TYR CB C 41 38.244 38.020 0.224 1
1 496 . 8 1 1 A 41 41 TYR N N 41 122.744 127.667 -4.923 1
1 497 . 8 1 1 A 42 42 PRO HA H 42 4.281 4.314 -0.033 1
1 504 . 8 1 1 A 42 42 PRO C C 42 176.765 178.072 -1.307 1
1 505 . 8 1 1 A 42 42 PRO CA C 42 63.650 65.145 -1.495 1
1 506 . 8 1 1 A 42 42 PRO CB C 42 30.513 31.292 -0.779 1
1 509 . 8 1 1 A 43 43 ASP H H 43 8.305 8.371 -0.066 1
1 510 . 8 1 1 A 43 43 ASP HA H 43 4.548 4.457 0.091 1
1 513 . 8 1 1 A 43 43 ASP C C 43 175.135 178.294 -3.159 1
1 514 . 8 1 1 A 43 43 ASP CA C 43 53.570 56.856 -3.286 1
1 515 . 8 1 1 A 43 43 ASP CB C 43 38.450 41.075 -2.625 1
1 516 . 8 1 1 A 43 43 ASP N N 43 118.052 117.460 0.592 1
1 517 . 8 1 1 A 44 44 ALA H H 44 8.013 8.103 -0.090 1
1 518 . 8 1 1 A 44 44 ALA HA H 44 4.106 4.258 -0.152 1
1 522 . 8 1 1 A 44 44 ALA C C 44 177.969 180.064 -2.095 1
1 523 . 8 1 1 A 44 44 ALA CA C 44 52.867 55.144 -2.277 1
1 524 . 8 1 1 A 44 44 ALA CB C 44 19.023 18.540 0.483 1
1 525 . 8 1 1 A 44 44 ALA N N 44 123.344 122.426 0.918 1
1 526 . 8 1 1 A 45 45 ILE H H 45 7.860 7.953 -0.093 1
1 527 . 8 1 1 A 45 45 ILE HA H 45 3.855 4.188 -0.333 1
1 537 . 8 1 1 A 45 45 ILE C C 45 176.287 177.528 -1.241 1
1 538 . 8 1 1 A 45 45 ILE CA C 45 61.465 63.369 -1.904 1
1 539 . 8 1 1 A 45 45 ILE CB C 45 38.294 37.764 0.530 1
1 543 . 8 1 1 A 45 45 ILE N N 45 118.636 119.297 -0.661 1
1 544 . 8 1 1 A 46 46 TRP H H 46 7.646 7.495 0.151 1
1 545 . 8 1 1 A 46 46 TRP HA H 46 4.504 4.568 -0.064 1
1 554 . 8 1 1 A 46 46 TRP C C 46 176.136 178.680 -2.544 1
1 555 . 8 1 1 A 46 46 TRP CA C 46 57.139 58.914 -1.775 1
1 556 . 8 1 1 A 46 46 TRP CB C 46 28.880 30.609 -1.729 1
1 558 . 8 1 1 A 46 46 TRP N N 46 122.947 121.370 1.577 1
1 560 . 8 1 1 A 47 47 TRP H H 47 7.502 7.949 -0.447 1
1 561 . 8 1 1 A 47 47 TRP HA H 47 4.482 4.300 0.182 1
1 570 . 8 1 1 A 47 47 TRP C C 47 176.149 178.878 -2.729 1
1 571 . 8 1 1 A 47 47 TRP CA C 47 57.197 60.857 -3.660 1
1 572 . 8 1 1 A 47 47 TRP CB C 47 29.703 29.540 0.163 1
1 573 . 8 1 1 A 47 47 TRP N N 47 120.943 121.690 -0.747 1
1 575 . 8 1 1 A 48 48 SER H H 48 7.861 8.388 -0.527 1
1 576 . 8 1 1 A 48 48 SER HA H 48 4.258 3.697 0.561 1
1 579 . 8 1 1 A 48 48 SER C C 48 174.600 177.017 -2.417 1
1 580 . 8 1 1 A 48 48 SER CA C 48 57.844 61.065 -3.221 1
1 581 . 8 1 1 A 48 48 SER CB C 48 64.102 62.780 1.322 1
1 582 . 8 1 1 A 48 48 SER N N 48 116.339 114.365 1.974 1
1 583 . 8 1 1 A 49 49 VAL H H 49 7.921 7.471 0.450 1
1 584 . 8 1 1 A 49 49 VAL HA H 49 3.990 3.377 0.613 1
1 592 . 8 1 1 A 49 49 VAL C C 49 176.402 178.008 -1.606 1
1 593 . 8 1 1 A 49 49 VAL CA C 49 62.909 66.376 -3.467 1
1 594 . 8 1 1 A 49 49 VAL CB C 49 32.467 31.390 1.077 1
1 597 . 8 1 1 A 49 49 VAL N N 49 121.079 122.728 -1.649 1
1 598 . 8 1 1 A 50 50 GLU H H 50 8.229 8.169 0.060 1
1 599 . 8 1 1 A 50 50 GLU HA H 50 4.307 4.141 0.166 1
1 604 . 8 1 1 A 50 50 GLU C C 50 176.506 177.430 -0.924 1
1 605 . 8 1 1 A 50 50 GLU CA C 50 57.040 58.402 -1.362 1
1 606 . 8 1 1 A 50 50 GLU CB C 50 30.123 29.232 0.891 1
1 608 . 8 1 1 A 50 50 GLU N N 50 122.433 118.512 3.921 1
1 609 . 8 1 1 A 51 51 THR H H 51 7.993 6.957 1.036 1
1 610 . 8 1 1 A 51 51 THR HA H 51 4.248 3.919 0.329 1
1 615 . 8 1 1 A 51 51 THR C C 51 174.430 176.107 -1.677 1
1 616 . 8 1 1 A 51 51 THR CA C 51 62.227 65.212 -2.985 1
1 617 . 8 1 1 A 51 51 THR CB C 51 69.712 68.856 0.856 1
1 619 . 8 1 1 A 51 51 THR N N 51 114.413 113.407 1.006 1
1 620 . 8 1 1 A 52 52 ALA H H 52 8.160 8.023 0.137 1
1 621 . 8 1 1 A 52 52 ALA HA H 52 4.212 4.095 0.117 1
1 625 . 8 1 1 A 52 52 ALA C C 52 177.976 179.317 -1.341 1
1 626 . 8 1 1 A 52 52 ALA CA C 52 53.069 54.989 -1.920 1
1 627 . 8 1 1 A 52 52 ALA CB C 52 19.178 18.163 1.015 1
1 628 . 8 1 1 A 52 52 ALA N N 52 125.641 123.959 1.682 1
1 629 . 8 1 1 A 53 53 THR H H 53 8.022 7.391 0.631 1
1 630 . 8 1 1 A 53 53 THR HA H 53 4.231 4.644 -0.413 1
1 635 . 8 1 1 A 53 53 THR C C 53 174.750 174.280 0.470 1
1 636 . 8 1 1 A 53 53 THR CA C 53 62.231 62.829 -0.598 1
1 637 . 8 1 1 A 53 53 THR CB C 53 69.726 69.108 0.618 1
1 639 . 8 1 1 A 53 53 THR N N 53 112.100 112.999 -0.899 1
1 640 . 8 1 1 A 54 54 THR H H 54 7.999 8.302 -0.303 1
1 641 . 8 1 1 A 54 54 THR HA H 54 4.303 4.266 0.037 1
1 646 . 8 1 1 A 54 54 THR C C 54 174.592 173.564 1.028 1
1 647 . 8 1 1 A 54 54 THR CA C 54 62.002 63.221 -1.219 1
1 648 . 8 1 1 A 54 54 THR CB C 54 69.793 68.844 0.949 1
1 650 . 8 1 1 A 54 54 THR N N 54 116.238 114.995 1.243 1
1 651 . 8 1 1 A 55 55 VAL H H 55 8.098 8.643 -0.545 1
1 652 . 8 1 1 A 55 55 VAL HA H 55 4.017 3.609 0.408 1
1 660 . 8 1 1 A 55 55 VAL C C 55 176.453 175.792 0.661 1
1 661 . 8 1 1 A 55 55 VAL CA C 55 62.650 64.623 -1.973 1
1 662 . 8 1 1 A 55 55 VAL CB C 55 32.524 30.148 2.376 1
1 665 . 8 1 1 A 55 55 VAL N N 55 122.445 120.639 1.806 1
1 666 . 8 1 1 A 56 56 GLY H H 56 8.308 8.077 0.231 1
1 667 . 8 1 1 A 56 56 GLY HA2 H 56 3.839 3.838 0.001 1
1 668 . 8 1 1 A 56 56 GLY HA3 H 56 4.019 3.874 0.145 1
1 669 . 8 1 1 A 56 56 GLY C C 56 173.958 174.847 -0.889 1
1 670 . 8 1 1 A 56 56 GLY CA C 56 45.216 46.051 -0.835 1
1 671 . 8 1 1 A 56 56 GLY N N 56 112.118 108.601 3.517 1
1 672 . 8 1 1 A 57 57 TYR H H 57 8.051 8.493 -0.442 1
1 673 . 8 1 1 A 57 57 TYR HA H 57 4.402 4.524 -0.122 1
1 680 . 8 1 1 A 57 57 TYR C C 57 176.557 175.785 0.772 1
1 681 . 8 1 1 A 57 57 TYR CA C 57 58.251 58.459 -0.208 1
1 682 . 8 1 1 A 57 57 TYR CB C 57 38.935 38.762 0.173 1
1 683 . 8 1 1 A 57 57 TYR N N 57 120.259 120.135 0.124 1
1 684 . 8 1 1 A 58 58 GLY H H 58 8.335 7.641 0.694 1
1 685 . 8 1 1 A 58 58 GLY HA2 H 58 3.801 4.098 -0.297 1
1 686 . 8 1 1 A 58 58 GLY HA3 H 58 3.801 4.108 -0.307 1
1 687 . 8 1 1 A 58 58 GLY C C 58 173.911 174.804 -0.893 1
1 688 . 8 1 1 A 58 58 GLY CA C 58 45.311 45.408 -0.097 1
1 689 . 8 1 1 A 58 58 GLY N N 58 110.220 107.733 2.487 1
1 690 . 8 1 1 A 59 59 ASP H H 59 8.161 7.712 0.449 1
1 691 . 8 1 1 A 59 59 ASP HA H 59 4.581 4.489 0.092 1
1 694 . 8 1 1 A 59 59 ASP C C 59 175.189 175.753 -0.564 1
1 695 . 8 1 1 A 59 59 ASP CA C 59 53.570 56.610 -3.040 1
1 696 . 8 1 1 A 59 59 ASP CB C 59 38.750 41.938 -3.188 1
1 697 . 8 1 1 A 59 59 ASP N N 59 118.765 121.743 -2.978 1
1 698 . 8 1 1 A 60 60 ARG H H 60 8.086 7.949 0.137 1
1 699 . 8 1 1 A 60 60 ARG HA H 60 4.152 4.816 -0.664 1
1 711 . 8 1 1 A 60 60 ARG C C 60 176.603 173.866 2.737 1
1 712 . 8 1 1 A 60 60 ARG CA C 60 56.825 54.381 2.444 1
1 713 . 8 1 1 A 60 60 ARG CB C 60 30.935 35.059 -4.124 1
1 716 . 8 1 1 A 60 60 ARG N N 60 120.762 117.256 3.506 1
1 718 . 8 1 1 A 61 61 TYR H H 61 8.117 8.892 -0.775 1
1 719 . 8 1 1 A 61 61 TYR HA H 61 4.488 5.234 -0.746 1
1 726 . 8 1 1 A 61 61 TYR CA C 61 56.688 56.300 0.388 1
1 727 . 8 1 1 A 61 61 TYR CB C 61 39.582 43.541 -3.959 1
1 728 . 8 1 1 A 61 61 TYR N N 61 121.714 123.790 -2.076 1
1 729 . 8 1 1 A 62 62 PRO HA H 62 4.383 4.389 -0.006 1
1 736 . 8 1 1 A 62 62 PRO C C 62 177.441 176.065 1.376 1
1 737 . 8 1 1 A 62 62 PRO CA C 62 63.212 61.820 1.392 1
1 738 . 8 1 1 A 62 62 PRO CB C 62 31.939 32.478 -0.539 1
1 741 . 8 1 1 A 63 63 VAL H H 63 8.217 8.403 -0.186 1
1 742 . 8 1 1 A 63 63 VAL HA H 63 4.164 4.091 0.073 1
1 750 . 8 1 1 A 63 63 VAL C C 63 176.576 176.849 -0.273 1
1 751 . 8 1 1 A 63 63 VAL CA C 63 62.382 62.247 0.135 1
1 752 . 8 1 1 A 63 63 VAL CB C 63 32.862 32.059 0.803 1
1 755 . 8 1 1 A 63 63 VAL N N 63 120.316 120.415 -0.099 1
1 756 . 8 1 1 A 64 64 THR H H 64 8.084 8.054 0.030 1
1 757 . 8 1 1 A 64 64 THR HA H 64 4.313 4.519 -0.206 1
1 762 . 8 1 1 A 64 64 THR C C 64 174.558 175.269 -0.711 1
1 763 . 8 1 1 A 64 64 THR CA C 64 62.606 63.238 -0.632 1
1 764 . 8 1 1 A 64 64 THR CB C 64 70.496 70.406 0.090 1
1 766 . 8 1 1 A 64 64 THR N N 64 116.779 117.388 -0.609 1
1 767 . 8 1 1 A 65 65 GLU H H 65 8.404 7.907 0.497 1
1 768 . 8 1 1 A 65 65 GLU HA H 65 4.314 4.090 0.224 1
1 773 . 8 1 1 A 65 65 GLU C C 65 175.016 178.649 -3.633 1
1 774 . 8 1 1 A 65 65 GLU CA C 65 57.750 58.934 -1.184 1
1 775 . 8 1 1 A 65 65 GLU CB C 65 30.083 29.096 0.987 1
1 777 . 8 1 1 A 65 65 GLU N N 65 122.323 120.945 1.378 1
1 778 . 8 1 1 A 66 66 GLU H H 66 8.397 7.844 0.553 1
1 779 . 8 1 1 A 66 66 GLU HA H 66 4.224 4.387 -0.163 1
1 784 . 8 1 1 A 66 66 GLU C C 66 176.855 177.028 -0.173 1
1 785 . 8 1 1 A 66 66 GLU CA C 66 58.023 56.292 1.731 1
1 786 . 8 1 1 A 66 66 GLU CB C 66 29.857 30.337 -0.480 1
1 788 . 8 1 1 A 66 66 GLU N N 66 122.201 115.286 6.915 1
1 789 . 8 1 1 A 67 67 GLY H H 67 8.376 7.805 0.571 1
1 790 . 8 1 1 A 67 67 GLY HA2 H 67 3.834 3.994 -0.160 1
1 791 . 8 1 1 A 67 67 GLY HA3 H 67 3.834 3.997 -0.163 1
1 792 . 8 1 1 A 67 67 GLY C C 67 173.071 175.156 -2.085 1
1 793 . 8 1 1 A 67 67 GLY CA C 67 45.871 46.380 -0.509 1
1 794 . 8 1 1 A 67 67 GLY N N 67 109.499 108.189 1.310 1
1 795 . 8 1 1 A 68 68 ARG H H 68 8.011 8.196 -0.185 1
1 796 . 8 1 1 A 68 68 ARG HA H 68 4.482 4.170 0.312 1
1 808 . 8 1 1 A 68 68 ARG C C 68 177.494 178.172 -0.678 1
1 809 . 8 1 1 A 68 68 ARG CA C 68 57.574 59.139 -1.565 1
1 810 . 8 1 1 A 68 68 ARG CB C 68 30.325 30.105 0.220 1
1 813 . 8 1 1 A 68 68 ARG N N 68 122.501 120.734 1.767 1
1 815 . 8 1 1 A 69 69 LYS H H 69 7.986 8.237 -0.251 1
1 816 . 8 1 1 A 69 69 LYS HA H 69 4.150 4.075 0.075 1
1 825 . 8 1 1 A 69 69 LYS C C 69 178.168 179.167 -0.999 1
1 826 . 8 1 1 A 69 69 LYS CA C 69 57.781 58.310 -0.529 1
1 827 . 8 1 1 A 69 69 LYS CB C 69 32.705 32.170 0.535 1
1 831 . 8 1 1 A 69 69 LYS N N 69 120.934 118.317 2.617 1
1 832 . 8 1 1 A 70 70 VAL H H 70 7.848 8.306 -0.458 1
1 833 . 8 1 1 A 70 70 VAL HA H 70 4.088 3.637 0.451 1
1 841 . 8 1 1 A 70 70 VAL C C 70 175.998 177.828 -1.830 1
1 842 . 8 1 1 A 70 70 VAL CA C 70 64.206 66.204 -1.998 1
1 843 . 8 1 1 A 70 70 VAL CB C 70 31.873 31.500 0.373 1
1 846 . 8 1 1 A 70 70 VAL N N 70 120.324 119.779 0.545 1
1 847 . 8 1 1 A 71 71 ALA H H 71 8.300 8.189 0.111 1
1 848 . 8 1 1 A 71 71 ALA HA H 71 4.221 4.192 0.029 1
1 852 . 8 1 1 A 71 71 ALA C C 71 178.225 179.355 -1.130 1
1 853 . 8 1 1 A 71 71 ALA CA C 71 53.106 55.580 -2.474 1
1 854 . 8 1 1 A 71 71 ALA CB C 71 19.128 18.474 0.654 1
1 855 . 8 1 1 A 71 71 ALA N N 71 127.025 122.095 4.930 1
1 856 . 8 1 1 A 72 72 GLU H H 72 8.181 8.259 -0.078 1
1 857 . 8 1 1 A 72 72 GLU HA H 72 4.219 4.034 0.185 1
1 862 . 8 1 1 A 72 72 GLU C C 72 176.779 179.128 -2.349 1
1 863 . 8 1 1 A 72 72 GLU CA C 72 56.776 59.900 -3.124 1
1 864 . 8 1 1 A 72 72 GLU CB C 72 28.610 29.307 -0.697 1
1 866 . 8 1 1 A 72 72 GLU N N 72 123.008 118.621 4.387 1
1 867 . 8 1 1 A 73 73 GLN H H 73 8.132 8.060 0.072 1
1 868 . 8 1 1 A 73 73 GLN HA H 73 4.141 4.152 -0.011 1
1 875 . 8 1 1 A 73 73 GLN C C 73 175.803 178.614 -2.811 1
1 876 . 8 1 1 A 73 73 GLN CA C 73 56.456 58.521 -2.065 1
1 877 . 8 1 1 A 73 73 GLN CB C 73 28.290 28.174 0.116 1
1 879 . 8 1 1 A 73 73 GLN N N 73 120.564 119.626 0.938 1
1 881 . 8 1 1 A 74 74 VAL H H 74 8.088 7.601 0.487 1
1 882 . 8 1 1 A 74 74 VAL HA H 74 3.986 3.545 0.441 1
1 890 . 8 1 1 A 74 74 VAL C C 74 176.167 177.831 -1.664 1
1 891 . 8 1 1 A 74 74 VAL CA C 74 63.123 66.344 -3.221 1
1 892 . 8 1 1 A 74 74 VAL CB C 74 30.082 31.423 -1.341 1
1 895 . 8 1 1 A 74 74 VAL N N 74 121.828 120.166 1.662 1
1 896 . 8 1 1 A 75 75 MET H H 75 8.167 7.981 0.186 1
1 897 . 8 1 1 A 75 75 MET HA H 75 4.093 4.020 0.073 1
1 903 . 8 1 1 A 75 75 MET C C 75 176.455 178.565 -2.110 1
1 904 . 8 1 1 A 75 75 MET N N 75 123.990 117.359 6.631 1
1 905 . 8 1 1 A 76 76 LYS H H 76 8.287 7.751 0.536 1
1 906 . 8 1 1 A 76 76 LYS HA H 76 4.234 4.064 0.170 1
1 915 . 8 1 1 A 76 76 LYS C C 76 176.220 178.674 -2.454 1
1 916 . 8 1 1 A 76 76 LYS CA C 76 56.765 58.743 -1.978 1
1 917 . 8 1 1 A 76 76 LYS CB C 76 33.055 32.230 0.825 1
1 921 . 8 1 1 A 76 76 LYS N N 76 122.725 119.871 2.854 1
1 922 . 8 1 1 A 77 77 ALA H H 77 8.308 8.108 0.200 1
1 923 . 8 1 1 A 77 77 ALA HA H 77 4.213 4.025 0.188 1
1 927 . 8 1 1 A 77 77 ALA C C 77 178.097 179.903 -1.806 1
1 928 . 8 1 1 A 77 77 ALA CA C 77 52.740 55.105 -2.365 1
1 929 . 8 1 1 A 77 77 ALA CB C 77 19.427 18.371 1.056 1
1 930 . 8 1 1 A 77 77 ALA N N 77 125.316 122.894 2.422 1
1 931 . 8 1 1 A 78 78 GLY H H 78 8.284 8.118 0.166 1
1 932 . 8 1 1 A 78 78 GLY HA2 H 78 3.873 3.479 0.394 1
1 933 . 8 1 1 A 78 78 GLY HA3 H 78 3.873 3.686 0.187 1
1 934 . 8 1 1 A 78 78 GLY C C 78 174.065 175.304 -1.239 1
1 935 . 8 1 1 A 78 78 GLY CA C 78 45.497 47.360 -1.863 1
1 936 . 8 1 1 A 78 78 GLY N N 78 107.778 106.097 1.681 1
1 937 . 8 1 1 A 79 79 ILE H H 79 7.882 8.353 -0.471 1
1 938 . 8 1 1 A 79 79 ILE HA H 79 4.119 4.088 0.031 1
1 948 . 8 1 1 A 79 79 ILE C C 79 176.160 178.893 -2.733 1
1 949 . 8 1 1 A 79 79 ILE CA C 79 61.436 63.970 -2.534 1
1 950 . 8 1 1 A 79 79 ILE CB C 79 38.904 37.138 1.766 1
1 954 . 8 1 1 A 79 79 ILE N N 79 119.794 122.498 -2.704 1
1 955 . 8 1 1 A 80 80 GLU H H 80 8.354 8.230 0.124 1
1 956 . 8 1 1 A 80 80 GLU HA H 80 4.282 3.983 0.299 1
1 961 . 8 1 1 A 80 80 GLU C C 80 176.174 179.666 -3.492 1
1 962 . 8 1 1 A 80 80 GLU CA C 80 57.178 59.217 -2.039 1
1 963 . 8 1 1 A 80 80 GLU CB C 80 30.019 29.294 0.725 1
1 965 . 8 1 1 A 80 80 GLU N N 80 124.311 119.456 4.855 1
1 966 . 8 1 1 A 81 81 VAL H H 81 8.205 7.634 0.571 1
1 967 . 8 1 1 A 81 81 VAL HA H 81 3.985 3.501 0.484 1
1 975 . 8 1 1 A 81 81 VAL C C 81 175.815 177.732 -1.917 1
1 976 . 8 1 1 A 81 81 VAL CA C 81 62.865 66.397 -3.532 1
1 977 . 8 1 1 A 81 81 VAL CB C 81 32.629 31.465 1.164 1
1 980 . 8 1 1 A 81 81 VAL N N 81 121.106 120.400 0.706 1
1 981 . 8 1 1 A 82 82 PHE H H 82 8.252 7.815 0.437 1
1 982 . 8 1 1 A 82 82 PHE HA H 82 4.551 4.197 0.354 1
1 990 . 8 1 1 A 82 82 PHE C C 82 175.631 177.410 -1.779 1
1 991 . 8 1 1 A 82 82 PHE CA C 82 58.206 61.630 -3.424 1
1 992 . 8 1 1 A 82 82 PHE CB C 82 39.431 37.736 1.695 1
1 993 . 8 1 1 A 82 82 PHE N N 82 123.622 118.423 5.199 1
1 994 . 8 1 1 A 83 83 ALA H H 83 8.184 8.046 0.138 1
1 995 . 8 1 1 A 83 83 ALA HA H 83 4.230 4.300 -0.070 1
1 999 . 8 1 1 A 83 83 ALA C C 83 178.025 180.495 -2.470 1
1 1000 . 8 1 1 A 83 83 ALA CA C 83 52.731 54.564 -1.833 1
1 1001 . 8 1 1 A 83 83 ALA CB C 83 19.359 18.920 0.439 1
1 1002 . 8 1 1 A 83 83 ALA N N 83 125.081 121.731 3.350 1
1 1003 . 8 1 1 A 84 84 LEU H H 84 8.104 8.377 -0.273 1
1 1004 . 8 1 1 A 84 84 LEU HA H 84 4.167 4.114 0.053 1
1 1014 . 8 1 1 A 84 84 LEU C C 84 176.390 178.596 -2.206 1
1 1015 . 8 1 1 A 84 84 LEU CA C 84 55.786 57.160 -1.374 1
1 1016 . 8 1 1 A 84 84 LEU CB C 84 42.179 41.306 0.873 1
1 1020 . 8 1 1 A 84 84 LEU N N 84 119.064 120.924 -1.860 1
1 1021 . 8 1 1 A 85 85 VAL H H 85 8.155 7.825 0.330 1
1 1022 . 8 1 1 A 85 85 VAL HA H 85 4.073 3.957 0.116 1
1 1030 . 8 1 1 A 85 85 VAL C C 85 176.521 177.822 -1.301 1
1 1031 . 8 1 1 A 85 85 VAL CA C 85 62.762 64.468 -1.706 1
1 1032 . 8 1 1 A 85 85 VAL CB C 85 32.498 31.527 0.971 1
1 1035 . 8 1 1 A 85 85 VAL N N 85 121.743 115.364 6.379 1
1 1036 . 8 1 1 A 86 86 THR H H 86 8.052 7.733 0.319 1
1 1037 . 8 1 1 A 86 86 THR HA H 86 4.141 3.928 0.213 1
1 1042 . 8 1 1 A 86 86 THR C C 86 174.706 176.363 -1.657 1
1 1043 . 8 1 1 A 86 86 THR CA C 86 62.351 65.896 -3.545 1
1 1044 . 8 1 1 A 86 86 THR CB C 86 69.618 69.026 0.592 1
1 1046 . 8 1 1 A 86 86 THR N N 86 117.693 116.218 1.475 1
1 1047 . 8 1 1 A 87 87 ALA H H 87 8.216 8.156 0.060 1
1 1048 . 8 1 1 A 87 87 ALA HA H 87 4.170 3.936 0.234 1
1 1052 . 8 1 1 A 87 87 ALA C C 87 178.003 178.842 -0.839 1
1 1053 . 8 1 1 A 87 87 ALA CA C 87 52.967 55.556 -2.589 1
1 1054 . 8 1 1 A 87 87 ALA CB C 87 18.326 18.278 0.048 1
1 1055 . 8 1 1 A 87 87 ALA N N 87 126.174 123.048 3.126 1
1 1056 . 8 1 1 A 88 88 ALA H H 88 8.129 8.113 0.016 1
1 1057 . 8 1 1 A 88 88 ALA HA H 88 4.147 4.546 -0.399 1
1 1061 . 8 1 1 A 88 88 ALA C C 88 178.246 179.024 -0.778 1
1 1062 . 8 1 1 A 88 88 ALA CA C 88 52.961 53.249 -0.288 1
1 1063 . 8 1 1 A 88 88 ALA CB C 88 19.290 20.300 -1.010 1
1 1064 . 8 1 1 A 88 88 ALA N N 88 122.649 119.259 3.390 1
1 1065 . 8 1 1 A 89 89 LEU H H 89 7.992 8.903 -0.911 1
1 1066 . 8 1 1 A 89 89 LEU HA H 89 4.153 4.123 0.030 1
1 1076 . 8 1 1 A 89 89 LEU C C 89 176.375 178.582 -2.207 1
1 1077 . 8 1 1 A 89 89 LEU CA C 89 57.099 57.638 -0.539 1
1 1078 . 8 1 1 A 89 89 LEU CB C 89 42.055 41.664 0.391 1
1 1082 . 8 1 1 A 89 89 LEU N N 89 120.616 121.151 -0.535 1
1 1083 . 8 1 1 A 90 90 ALA H H 90 8.168 8.049 0.119 1
1 1084 . 8 1 1 A 90 90 ALA HA H 90 4.218 4.235 -0.017 1
1 1088 . 8 1 1 A 90 90 ALA C C 90 178.487 180.424 -1.937 1
1 1089 . 8 1 1 A 90 90 ALA CA C 90 53.043 54.966 -1.923 1
1 1090 . 8 1 1 A 90 90 ALA CB C 90 19.269 18.381 0.888 1
1 1091 . 8 1 1 A 90 90 ALA N N 90 124.243 120.825 3.418 1
1 1092 . 8 1 1 A 91 91 THR H H 91 7.988 7.730 0.258 1
1 1093 . 8 1 1 A 91 91 THR HA H 91 4.181 3.943 0.238 1
1 1098 . 8 1 1 A 91 91 THR C C 91 174.931 175.262 -0.331 1
1 1099 . 8 1 1 A 91 91 THR CA C 91 62.190 63.762 -1.572 1
1 1100 . 8 1 1 A 91 91 THR CB C 91 69.198 68.576 0.622 1
1 1102 . 8 1 1 A 91 91 THR N N 91 112.659 112.904 -0.245 1
1 1103 . 8 1 1 A 92 92 ASP H H 92 8.254 7.910 0.344 1
1 1104 . 8 1 1 A 92 92 ASP HA H 92 4.541 4.351 0.190 1
1 1107 . 8 1 1 A 92 92 ASP C C 92 175.823 178.292 -2.469 1
1 1108 . 8 1 1 A 92 92 ASP CA C 92 53.570 56.864 -3.294 1
1 1109 . 8 1 1 A 92 92 ASP CB C 92 38.750 40.782 -2.032 1
1 1110 . 8 1 1 A 92 92 ASP N N 92 120.688 121.256 -0.568 1
1 1111 . 8 1 1 A 93 93 PHE H H 93 8.048 7.713 0.335 1
1 1112 . 8 1 1 A 93 93 PHE HA H 93 4.547 4.404 0.143 1
1 1120 . 8 1 1 A 93 93 PHE C C 93 176.384 177.878 -1.494 1
1 1121 . 8 1 1 A 93 93 PHE CA C 93 58.633 59.841 -1.208 1
1 1122 . 8 1 1 A 93 93 PHE CB C 93 39.451 38.060 1.391 1
1 1123 . 8 1 1 A 93 93 PHE N N 93 120.763 118.330 2.433 1
1 1124 . 8 1 1 A 94 94 VAL H H 94 7.904 7.716 0.188 1
1 1125 . 8 1 1 A 94 94 VAL HA H 94 4.364 3.041 1.323 1
1 1133 . 8 1 1 A 94 94 VAL C C 94 176.851 177.802 -0.951 1
1 1134 . 8 1 1 A 94 94 VAL CA C 94 63.297 65.808 -2.511 1
1 1135 . 8 1 1 A 94 94 VAL CB C 94 29.241 30.914 -1.673 1
1 1138 . 8 1 1 A 94 94 VAL N N 94 121.478 120.487 0.991 1
1 1139 . 8 1 1 A 95 95 ARG H H 95 8.146 7.879 0.267 1
1 1140 . 8 1 1 A 95 95 ARG HA H 95 4.134 3.912 0.222 1
1 1152 . 8 1 1 A 95 95 ARG C C 95 177.395 178.738 -1.343 1
1 1153 . 8 1 1 A 95 95 ARG CA C 95 55.978 59.762 -3.784 1
1 1154 . 8 1 1 A 95 95 ARG CB C 95 31.070 29.960 1.110 1
1 1157 . 8 1 1 A 95 95 ARG N N 95 122.920 119.522 3.398 1
1 1159 . 8 1 1 A 96 96 ARG H H 96 8.313 8.354 -0.041 1
1 1160 . 8 1 1 A 96 96 ARG HA H 96 4.180 4.129 0.051 1
1 1172 . 8 1 1 A 96 96 ARG C C 96 176.839 176.609 0.230 1
1 1173 . 8 1 1 A 96 96 ARG CA C 96 56.831 58.955 -2.124 1
1 1174 . 8 1 1 A 96 96 ARG CB C 96 30.952 30.342 0.610 1
1 1177 . 8 1 1 A 96 96 ARG N N 96 121.064 117.706 3.358 1
1 1179 . 8 1 1 A 97 97 GLU H H 97 8.356 7.667 0.689 1
1 1180 . 8 1 1 A 97 97 GLU HA H 97 4.220 4.388 -0.168 1
1 1185 . 8 1 1 A 97 97 GLU C C 97 176.319 176.874 -0.555 1
1 1186 . 8 1 1 A 97 97 GLU CA C 97 57.408 55.938 1.470 1
1 1187 . 8 1 1 A 97 97 GLU CB C 97 28.610 31.139 -2.529 1
1 1189 . 8 1 1 A 97 97 GLU N N 97 121.754 120.007 1.747 1
1 1190 . 8 1 1 A 98 98 GLU H H 98 8.328 9.003 -0.675 1
1 1191 . 8 1 1 A 98 98 GLU HA H 98 4.240 3.854 0.386 1
1 1196 . 8 1 1 A 98 98 GLU C C 98 176.132 176.697 -0.565 1
1 1197 . 8 1 1 A 98 98 GLU CA C 98 57.666 58.977 -1.311 1
1 1198 . 8 1 1 A 98 98 GLU CB C 98 30.045 27.374 2.671 1
1 1200 . 8 1 1 A 98 98 GLU N N 98 121.414 118.410 3.004 1
1 1201 . 8 1 1 A 99 99 GLU H H 99 8.418 8.400 0.018 1
1 1202 . 8 1 1 A 99 99 GLU HA H 99 4.299 4.046 0.253 1
1 1207 . 8 1 1 A 99 99 GLU C C 99 177.021 178.873 -1.852 1
1 1208 . 8 1 1 A 99 99 GLU CA C 99 57.397 59.515 -2.118 1
1 1209 . 8 1 1 A 99 99 GLU CB C 99 30.309 29.118 1.191 1
1 1211 . 8 1 1 A 99 99 GLU N N 99 121.312 120.271 1.041 1
1 1212 . 8 1 1 A 100 100 ARG H H 100 8.013 8.122 -0.109 1
1 1213 . 8 1 1 A 100 100 ARG HA H 100 4.180 4.056 0.124 1
1 1225 . 8 1 1 A 100 100 ARG C C 100 176.313 177.621 -1.308 1
1 1226 . 8 1 1 A 100 100 ARG CA C 100 57.238 58.549 -1.311 1
1 1227 . 8 1 1 A 100 100 ARG CB C 100 30.298 29.748 0.550 1
1 1230 . 8 1 1 A 100 100 ARG N N 100 121.871 118.375 3.496 1
1 1232 . 8 1 1 A 101 101 ARG H H 101 8.260 7.559 0.701 1
1 1233 . 8 1 1 A 101 101 ARG HA H 101 4.260 4.243 0.017 1
1 1245 . 8 1 1 A 101 101 ARG C C 101 176.753 176.747 0.006 1
1 1246 . 8 1 1 A 101 101 ARG CA C 101 56.492 55.724 0.768 1
1 1247 . 8 1 1 A 101 101 ARG CB C 101 30.838 30.650 0.188 1
1 1250 . 8 1 1 A 101 101 ARG N N 101 122.019 117.689 4.330 1
1 1252 . 8 1 1 A 102 102 GLY H H 102 8.380 7.857 0.523 1
1 1253 . 8 1 1 A 102 102 GLY HA2 H 102 3.849 4.002 -0.153 1
1 1254 . 8 1 1 A 102 102 GLY HA3 H 102 3.849 4.026 -0.177 1
1 1255 . 8 1 1 A 102 102 GLY C C 102 173.145 174.715 -1.570 1
1 1256 . 8 1 1 A 102 102 GLY CA C 102 45.401 46.427 -1.026 1
1 1257 . 8 1 1 A 102 102 GLY N N 102 110.110 108.962 1.148 1
1 9 . 9 1 1 A 2 2 ALA H H 2 8.742 7.973 0.769 1
1 10 . 9 1 1 A 2 2 ALA HA H 2 4.302 4.180 0.122 1
1 14 . 9 1 1 A 2 2 ALA C C 2 177.216 177.425 -0.209 1
1 15 . 9 1 1 A 2 2 ALA CA C 2 52.876 54.951 -2.075 1
1 16 . 9 1 1 A 2 2 ALA CB C 2 19.182 19.065 0.117 1
1 17 . 9 1 1 A 2 2 ALA N N 2 124.657 122.405 2.252 1
1 18 . 9 1 1 A 3 3 ASP H H 3 8.432 7.943 0.489 1
1 19 . 9 1 1 A 3 3 ASP HA H 3 4.530 4.830 -0.300 1
1 22 . 9 1 1 A 3 3 ASP C C 3 176.023 177.106 -1.083 1
1 23 . 9 1 1 A 3 3 ASP CA C 3 53.721 55.605 -1.884 1
1 24 . 9 1 1 A 3 3 ASP CB C 3 38.752 41.946 -3.194 1
1 25 . 9 1 1 A 3 3 ASP N N 3 118.729 115.436 3.293 1
1 26 . 9 1 1 A 4 4 HIS H H 4 8.549 8.006 0.543 1
1 27 . 9 1 1 A 4 4 HIS HA H 4 4.568 4.307 0.261 1
1 32 . 9 1 1 A 4 4 HIS C C 4 175.101 177.847 -2.746 1
1 33 . 9 1 1 A 4 4 HIS CA C 4 56.640 59.053 -2.413 1
1 34 . 9 1 1 A 4 4 HIS CB C 4 28.961 29.643 -0.682 1
1 37 . 9 1 1 A 4 4 HIS N N 4 119.650 118.856 0.794 1
1 38 . 9 1 1 A 5 5 GLU H H 5 8.330 8.788 -0.458 1
1 39 . 9 1 1 A 5 5 GLU HA H 5 4.207 3.972 0.235 1
1 44 . 9 1 1 A 5 5 GLU C C 5 175.749 179.101 -3.352 1
1 45 . 9 1 1 A 5 5 GLU CA C 5 56.594 59.047 -2.453 1
1 46 . 9 1 1 A 5 5 GLU CB C 5 29.285 28.414 0.871 1
1 48 . 9 1 1 A 5 5 GLU N N 5 120.937 117.379 3.558 1
1 49 . 9 1 1 A 6 6 ARG H H 6 8.325 7.849 0.476 1
1 50 . 9 1 1 A 6 6 ARG HA H 6 4.571 4.066 0.505 1
1 62 . 9 1 1 A 6 6 ARG C C 6 177.578 178.405 -0.827 1
1 63 . 9 1 1 A 6 6 ARG CA C 6 56.716 59.330 -2.614 1
1 64 . 9 1 1 A 6 6 ARG CB C 6 30.744 29.944 0.800 1
1 67 . 9 1 1 A 6 6 ARG N N 6 120.267 120.442 -0.175 1
1 69 . 9 1 1 A 7 7 GLU H H 7 8.136 7.558 0.578 1
1 70 . 9 1 1 A 7 7 GLU HA H 7 4.165 4.127 0.038 1
1 75 . 9 1 1 A 7 7 GLU C C 7 177.156 179.187 -2.031 1
1 76 . 9 1 1 A 7 7 GLU CA C 7 57.125 58.923 -1.798 1
1 77 . 9 1 1 A 7 7 GLU CB C 7 30.149 29.183 0.966 1
1 79 . 9 1 1 A 7 7 GLU N N 7 121.008 119.270 1.738 1
1 80 . 9 1 1 A 8 8 ALA H H 8 8.325 8.107 0.218 1
1 81 . 9 1 1 A 8 8 ALA HA H 8 4.212 4.053 0.159 1
1 85 . 9 1 1 A 8 8 ALA C C 8 178.913 179.596 -0.683 1
1 86 . 9 1 1 A 8 8 ALA CA C 8 52.832 55.013 -2.181 1
1 87 . 9 1 1 A 8 8 ALA CB C 8 18.909 18.260 0.649 1
1 88 . 9 1 1 A 8 8 ALA N N 8 124.538 122.201 2.337 1
1 89 . 9 1 1 A 9 9 GLN H H 9 8.159 7.881 0.278 1
1 90 . 9 1 1 A 9 9 GLN HA H 9 4.140 4.080 0.060 1
1 97 . 9 1 1 A 9 9 GLN C C 9 175.771 178.859 -3.088 1
1 98 . 9 1 1 A 9 9 GLN CA C 9 57.655 58.228 -0.573 1
1 99 . 9 1 1 A 9 9 GLN CB C 9 28.606 28.269 0.337 1
1 101 . 9 1 1 A 9 9 GLN N N 9 124.103 117.902 6.201 1
1 103 . 9 1 1 A 10 10 LYS H H 10 8.148 7.821 0.327 1
1 104 . 9 1 1 A 10 10 LYS HA H 10 4.204 4.010 0.194 1
1 113 . 9 1 1 A 10 10 LYS C C 10 177.798 179.096 -1.298 1
1 114 . 9 1 1 A 10 10 LYS CA C 10 57.139 59.367 -2.228 1
1 115 . 9 1 1 A 10 10 LYS CB C 10 33.040 32.459 0.581 1
1 119 . 9 1 1 A 10 10 LYS N N 10 120.635 120.577 0.058 1
1 120 . 9 1 1 A 11 11 ALA H H 11 8.148 8.079 0.069 1
1 121 . 9 1 1 A 11 11 ALA HA H 11 4.140 4.039 0.101 1
1 125 . 9 1 1 A 11 11 ALA C C 11 178.173 179.776 -1.603 1
1 126 . 9 1 1 A 11 11 ALA CA C 11 53.351 55.079 -1.728 1
1 127 . 9 1 1 A 11 11 ALA CB C 11 19.128 18.612 0.516 1
1 128 . 9 1 1 A 11 11 ALA N N 11 123.171 122.271 0.900 1
1 129 . 9 1 1 A 12 12 GLU H H 12 8.248 7.791 0.457 1
1 130 . 9 1 1 A 12 12 GLU HA H 12 4.222 4.059 0.163 1
1 135 . 9 1 1 A 12 12 GLU C C 12 176.385 179.293 -2.908 1
1 136 . 9 1 1 A 12 12 GLU CA C 12 57.442 59.508 -2.066 1
1 137 . 9 1 1 A 12 12 GLU CB C 12 30.001 29.162 0.839 1
1 139 . 9 1 1 A 12 12 GLU N N 12 119.451 117.940 1.511 1
1 140 . 9 1 1 A 13 13 GLU H H 13 8.372 7.700 0.672 1
1 141 . 9 1 1 A 13 13 GLU HA H 13 4.265 4.134 0.131 1
1 146 . 9 1 1 A 13 13 GLU C C 13 178.060 179.942 -1.882 1
1 147 . 9 1 1 A 13 13 GLU CA C 13 56.828 58.894 -2.066 1
1 148 . 9 1 1 A 13 13 GLU CB C 13 30.082 29.227 0.855 1
1 150 . 9 1 1 A 13 13 GLU N N 13 121.080 120.775 0.305 1
1 151 . 9 1 1 A 14 14 GLU H H 14 8.152 8.061 0.091 1
1 152 . 9 1 1 A 14 14 GLU HA H 14 4.142 4.095 0.047 1
1 157 . 9 1 1 A 14 14 GLU C C 14 176.274 178.664 -2.390 1
1 158 . 9 1 1 A 14 14 GLU CA C 14 56.892 59.110 -2.218 1
1 159 . 9 1 1 A 14 14 GLU CB C 14 28.169 29.366 -1.197 1
1 161 . 9 1 1 A 14 14 GLU N N 14 120.236 119.924 0.312 1
1 162 . 9 1 1 A 15 15 LEU H H 15 8.301 7.902 0.399 1
1 163 . 9 1 1 A 15 15 LEU HA H 15 4.224 4.008 0.216 1
1 173 . 9 1 1 A 15 15 LEU C C 15 177.983 178.773 -0.790 1
1 174 . 9 1 1 A 15 15 LEU CA C 15 56.344 57.735 -1.391 1
1 175 . 9 1 1 A 15 15 LEU CB C 15 42.250 41.729 0.521 1
1 179 . 9 1 1 A 15 15 LEU N N 15 123.072 121.344 1.728 1
1 180 . 9 1 1 A 16 16 GLN H H 16 8.132 7.661 0.471 1
1 181 . 9 1 1 A 16 16 GLN HA H 16 4.145 4.068 0.077 1
1 188 . 9 1 1 A 16 16 GLN C C 16 177.674 178.894 -1.220 1
1 189 . 9 1 1 A 16 16 GLN CA C 16 57.971 59.104 -1.133 1
1 190 . 9 1 1 A 16 16 GLN CB C 16 29.889 28.100 1.789 1
1 192 . 9 1 1 A 16 16 GLN N N 16 119.160 117.803 1.357 1
1 194 . 9 1 1 A 17 17 LYS H H 17 8.214 7.361 0.853 1
1 195 . 9 1 1 A 17 17 LYS HA H 17 4.140 4.179 -0.039 1
1 204 . 9 1 1 A 17 17 LYS C C 17 177.646 179.145 -1.499 1
1 205 . 9 1 1 A 17 17 LYS CA C 17 57.115 58.925 -1.810 1
1 206 . 9 1 1 A 17 17 LYS CB C 17 32.833 31.901 0.932 1
1 210 . 9 1 1 A 17 17 LYS N N 17 120.310 121.086 -0.776 1
1 211 . 9 1 1 A 18 18 VAL H H 18 7.871 7.637 0.234 1
1 212 . 9 1 1 A 18 18 VAL HA H 18 4.108 3.597 0.511 1
1 220 . 9 1 1 A 18 18 VAL C C 18 177.476 178.167 -0.691 1
1 221 . 9 1 1 A 18 18 VAL CA C 18 63.634 66.141 -2.507 1
1 222 . 9 1 1 A 18 18 VAL CB C 18 31.886 31.427 0.459 1
1 225 . 9 1 1 A 18 18 VAL N N 18 120.571 120.650 -0.079 1
1 226 . 9 1 1 A 19 19 LEU H H 19 8.180 7.800 0.380 1
1 227 . 9 1 1 A 19 19 LEU HA H 19 4.042 3.986 0.056 1
1 237 . 9 1 1 A 19 19 LEU C C 19 179.462 179.406 0.056 1
1 238 . 9 1 1 A 19 19 LEU CA C 19 57.653 57.532 0.121 1
1 239 . 9 1 1 A 19 19 LEU CB C 19 41.800 41.265 0.535 1
1 243 . 9 1 1 A 19 19 LEU N N 19 122.936 120.506 2.430 1
1 244 . 9 1 1 A 20 20 GLU H H 20 8.122 7.841 0.281 1
1 245 . 9 1 1 A 20 20 GLU HA H 20 4.156 4.033 0.123 1
1 250 . 9 1 1 A 20 20 GLU C C 20 178.001 179.298 -1.297 1
1 251 . 9 1 1 A 20 20 GLU CA C 20 58.045 59.677 -1.632 1
1 252 . 9 1 1 A 20 20 GLU CB C 20 30.092 29.231 0.861 1
1 254 . 9 1 1 A 20 20 GLU N N 20 118.745 119.796 -1.051 1
1 255 . 9 1 1 A 21 21 GLU H H 21 8.190 7.659 0.531 1
1 256 . 9 1 1 A 21 21 GLU HA H 21 4.144 4.023 0.121 1
1 261 . 9 1 1 A 21 21 GLU C C 21 177.290 179.077 -1.787 1
1 262 . 9 1 1 A 21 21 GLU CA C 21 58.109 58.978 -0.869 1
1 263 . 9 1 1 A 21 21 GLU CB C 21 29.868 29.760 0.108 1
1 265 . 9 1 1 A 21 21 GLU N N 21 119.542 120.750 -1.208 1
1 266 . 9 1 1 A 22 22 ALA H H 22 8.092 8.735 -0.643 1
1 267 . 9 1 1 A 22 22 ALA HA H 22 4.173 4.100 0.073 1
1 271 . 9 1 1 A 22 22 ALA C C 22 179.020 179.981 -0.961 1
1 272 . 9 1 1 A 22 22 ALA CA C 22 53.944 55.407 -1.463 1
1 273 . 9 1 1 A 22 22 ALA CB C 22 18.578 18.100 0.478 1
1 274 . 9 1 1 A 22 22 ALA N N 22 123.378 123.702 -0.324 1
1 275 . 9 1 1 A 23 23 SER H H 23 8.079 8.233 -0.154 1
1 276 . 9 1 1 A 23 23 SER HA H 23 4.300 4.258 0.042 1
1 279 . 9 1 1 A 23 23 SER C C 23 173.125 176.801 -3.676 1
1 280 . 9 1 1 A 23 23 SER CA C 23 59.414 61.554 -2.140 1
1 281 . 9 1 1 A 23 23 SER CB C 23 63.520 62.561 0.959 1
1 282 . 9 1 1 A 23 23 SER N N 23 114.637 112.937 1.700 1
1 283 . 9 1 1 A 24 24 LYS H H 24 8.032 8.094 -0.062 1
1 284 . 9 1 1 A 24 24 LYS HA H 24 4.325 4.068 0.257 1
1 293 . 9 1 1 A 24 24 LYS C C 24 175.423 178.721 -3.298 1
1 294 . 9 1 1 A 24 24 LYS CA C 24 57.273 59.598 -2.325 1
1 295 . 9 1 1 A 24 24 LYS CB C 24 31.200 32.048 -0.848 1
1 299 . 9 1 1 A 24 24 LYS N N 24 122.635 121.897 0.738 1
1 300 . 9 1 1 A 25 25 LYS H H 25 8.042 7.994 0.048 1
1 301 . 9 1 1 A 25 25 LYS HA H 25 4.169 4.112 0.057 1
1 310 . 9 1 1 A 25 25 LYS C C 25 177.025 179.255 -2.230 1
1 311 . 9 1 1 A 25 25 LYS CA C 25 56.876 59.737 -2.861 1
1 312 . 9 1 1 A 25 25 LYS CB C 25 31.200 32.324 -1.124 1
1 316 . 9 1 1 A 25 25 LYS N N 25 121.079 119.491 1.588 1
1 317 . 9 1 1 A 26 26 ALA H H 26 8.103 8.571 -0.468 1
1 318 . 9 1 1 A 26 26 ALA HA H 26 4.196 4.052 0.144 1
1 322 . 9 1 1 A 26 26 ALA C C 26 178.418 179.913 -1.495 1
1 323 . 9 1 1 A 26 26 ALA CA C 26 53.049 55.354 -2.305 1
1 324 . 9 1 1 A 26 26 ALA CB C 26 19.055 18.222 0.833 1
1 325 . 9 1 1 A 26 26 ALA N N 26 124.589 122.337 2.252 1
1 326 . 9 1 1 A 27 27 VAL H H 27 8.030 7.910 0.120 1
1 327 . 9 1 1 A 27 27 VAL HA H 27 3.945 3.698 0.247 1
1 335 . 9 1 1 A 27 27 VAL C C 27 179.177 178.102 1.075 1
1 336 . 9 1 1 A 27 27 VAL CA C 27 63.001 65.097 -2.096 1
1 337 . 9 1 1 A 27 27 VAL CB C 27 32.449 31.519 0.930 1
1 340 . 9 1 1 A 27 27 VAL N N 27 119.340 117.254 2.086 1
1 341 . 9 1 1 A 28 28 GLU H H 28 8.187 7.629 0.558 1
1 342 . 9 1 1 A 28 28 GLU HA H 28 4.166 4.058 0.108 1
1 347 . 9 1 1 A 28 28 GLU C C 28 176.411 179.463 -3.052 1
1 348 . 9 1 1 A 28 28 GLU CA C 28 57.290 59.345 -2.055 1
1 349 . 9 1 1 A 28 28 GLU CB C 28 30.025 28.556 1.469 1
1 351 . 9 1 1 A 28 28 GLU N N 28 120.351 121.559 -1.208 1
1 352 . 9 1 1 A 29 29 ALA H H 29 8.173 8.629 -0.456 1
1 353 . 9 1 1 A 29 29 ALA HA H 29 4.230 4.089 0.141 1
1 357 . 9 1 1 A 29 29 ALA C C 29 176.924 179.428 -2.504 1
1 358 . 9 1 1 A 29 29 ALA CA C 29 53.338 55.376 -2.038 1
1 359 . 9 1 1 A 29 29 ALA CB C 29 18.964 18.291 0.673 1
1 360 . 9 1 1 A 29 29 ALA N N 29 124.463 122.653 1.810 1
1 361 . 9 1 1 A 30 30 GLU H H 30 8.239 8.217 0.022 1
1 362 . 9 1 1 A 30 30 GLU HA H 30 4.251 4.414 -0.163 1
1 367 . 9 1 1 A 30 30 GLU C C 30 175.016 176.416 -1.400 1
1 368 . 9 1 1 A 30 30 GLU CA C 30 58.033 56.745 1.288 1
1 369 . 9 1 1 A 30 30 GLU CB C 30 29.996 30.024 -0.028 1
1 371 . 9 1 1 A 30 30 GLU N N 30 122.971 115.331 7.640 1
1 372 . 9 1 1 A 31 31 ARG H H 31 8.261 7.753 0.508 1
1 373 . 9 1 1 A 31 31 ARG HA H 31 4.255 4.041 0.214 1
1 385 . 9 1 1 A 31 31 ARG C C 31 176.727 177.062 -0.335 1
1 386 . 9 1 1 A 31 31 ARG CA C 31 56.565 57.506 -0.941 1
1 387 . 9 1 1 A 31 31 ARG CB C 31 30.783 30.162 0.621 1
1 390 . 9 1 1 A 31 31 ARG N N 31 121.894 122.543 -0.649 1
1 392 . 9 1 1 A 32 32 GLY H H 32 8.302 8.501 -0.199 1
1 393 . 9 1 1 A 32 32 GLY HA2 H 32 3.852 3.844 0.008 1
1 394 . 9 1 1 A 32 32 GLY HA3 H 32 3.852 3.849 0.003 1
1 395 . 9 1 1 A 32 32 GLY C C 32 173.994 174.685 -0.691 1
1 396 . 9 1 1 A 32 32 GLY CA C 32 45.077 46.204 -1.127 1
1 397 . 9 1 1 A 32 32 GLY N N 32 109.773 114.115 -4.342 1
1 398 . 9 1 1 A 33 33 ALA H H 33 8.011 7.583 0.428 1
1 399 . 9 1 1 A 33 33 ALA HA H 33 4.212 4.569 -0.357 1
1 403 . 9 1 1 A 33 33 ALA CA C 33 50.522 50.694 -0.172 1
1 404 . 9 1 1 A 33 33 ALA CB C 33 18.962 19.596 -0.634 1
1 405 . 9 1 1 A 33 33 ALA N N 33 123.601 123.462 0.139 1
1 406 . 9 1 1 A 34 34 PRO HA H 34 4.352 4.295 0.057 1
1 413 . 9 1 1 A 34 34 PRO C C 34 177.746 177.465 0.281 1
1 414 . 9 1 1 A 34 34 PRO CA C 34 63.520 63.705 -0.185 1
1 415 . 9 1 1 A 34 34 PRO CB C 34 31.938 31.806 0.132 1
1 418 . 9 1 1 A 35 35 GLY H H 35 8.433 8.806 -0.373 1
1 419 . 9 1 1 A 35 35 GLY HA2 H 35 3.848 3.911 -0.063 1
1 420 . 9 1 1 A 35 35 GLY HA3 H 35 3.848 3.914 -0.066 1
1 421 . 9 1 1 A 35 35 GLY C C 35 173.266 174.507 -1.241 1
1 422 . 9 1 1 A 35 35 GLY CA C 35 45.405 45.282 0.123 1
1 423 . 9 1 1 A 35 35 GLY N N 35 109.298 111.883 -2.585 1
1 424 . 9 1 1 A 36 36 ALA H H 36 8.095 7.742 0.353 1
1 425 . 9 1 1 A 36 36 ALA HA H 36 4.196 4.436 -0.240 1
1 429 . 9 1 1 A 36 36 ALA C C 36 177.944 177.382 0.562 1
1 430 . 9 1 1 A 36 36 ALA CA C 36 52.551 51.983 0.568 1
1 431 . 9 1 1 A 36 36 ALA CB C 36 19.485 19.889 -0.404 1
1 432 . 9 1 1 A 36 36 ALA N N 36 124.605 123.216 1.389 1
1 433 . 9 1 1 A 37 37 ALA H H 37 8.199 8.447 -0.248 1
1 434 . 9 1 1 A 37 37 ALA HA H 37 4.491 4.686 -0.195 1
1 438 . 9 1 1 A 37 37 ALA C C 37 177.456 177.969 -0.513 1
1 439 . 9 1 1 A 37 37 ALA CA C 37 52.453 51.514 0.939 1
1 440 . 9 1 1 A 37 37 ALA CB C 37 19.060 20.455 -1.395 1
1 441 . 9 1 1 A 37 37 ALA N N 37 123.695 121.641 2.054 1
1 442 . 9 1 1 A 38 38 LEU H H 38 8.099 8.100 -0.001 1
1 443 . 9 1 1 A 38 38 LEU HA H 38 4.243 4.010 0.233 1
1 453 . 9 1 1 A 38 38 LEU C C 38 177.358 176.748 0.610 1
1 454 . 9 1 1 A 38 38 LEU CA C 38 55.218 57.917 -2.699 1
1 455 . 9 1 1 A 38 38 LEU CB C 38 42.228 41.772 0.456 1
1 459 . 9 1 1 A 38 38 LEU N N 38 121.531 120.112 1.419 1
1 460 . 9 1 1 A 39 39 ILE H H 39 7.966 8.022 -0.056 1
1 461 . 9 1 1 A 39 39 ILE HA H 39 4.136 3.726 0.410 1
1 471 . 9 1 1 A 39 39 ILE C C 39 175.586 174.417 1.169 1
1 472 . 9 1 1 A 39 39 ILE CA C 39 60.873 62.102 -1.229 1
1 473 . 9 1 1 A 39 39 ILE CB C 39 38.727 35.629 3.098 1
1 477 . 9 1 1 A 39 39 ILE N N 39 121.669 116.551 5.118 1
1 478 . 9 1 1 A 40 40 SER H H 40 8.101 7.479 0.622 1
1 479 . 9 1 1 A 40 40 SER HA H 40 4.347 4.664 -0.317 1
1 482 . 9 1 1 A 40 40 SER C C 40 173.336 172.965 0.371 1
1 483 . 9 1 1 A 40 40 SER CA C 40 57.331 57.373 -0.042 1
1 484 . 9 1 1 A 40 40 SER CB C 40 63.983 67.179 -3.196 1
1 485 . 9 1 1 A 40 40 SER N N 40 119.591 115.878 3.713 1
1 486 . 9 1 1 A 41 41 TYR H H 41 8.100 9.231 -1.131 1
1 487 . 9 1 1 A 41 41 TYR HA H 41 4.436 4.341 0.095 1
1 494 . 9 1 1 A 41 41 TYR CA C 41 56.067 61.097 -5.030 1
1 495 . 9 1 1 A 41 41 TYR CB C 41 38.244 38.503 -0.259 1
1 496 . 9 1 1 A 41 41 TYR N N 41 122.744 122.905 -0.161 1
1 497 . 9 1 1 A 42 42 PRO HA H 42 4.281 4.413 -0.132 1
1 504 . 9 1 1 A 42 42 PRO C C 42 176.765 177.332 -0.567 1
1 505 . 9 1 1 A 42 42 PRO CA C 42 63.650 64.913 -1.263 1
1 506 . 9 1 1 A 42 42 PRO CB C 42 30.513 31.277 -0.764 1
1 509 . 9 1 1 A 43 43 ASP H H 43 8.305 8.587 -0.282 1
1 510 . 9 1 1 A 43 43 ASP HA H 43 4.548 4.590 -0.042 1
1 513 . 9 1 1 A 43 43 ASP C C 43 175.135 179.005 -3.870 1
1 514 . 9 1 1 A 43 43 ASP CA C 43 53.570 54.815 -1.245 1
1 515 . 9 1 1 A 43 43 ASP CB C 43 38.450 40.962 -2.512 1
1 516 . 9 1 1 A 43 43 ASP N N 43 118.052 116.463 1.589 1
1 517 . 9 1 1 A 44 44 ALA H H 44 8.013 8.140 -0.127 1
1 518 . 9 1 1 A 44 44 ALA HA H 44 4.106 4.227 -0.121 1
1 522 . 9 1 1 A 44 44 ALA C C 44 177.969 180.121 -2.152 1
1 523 . 9 1 1 A 44 44 ALA CA C 44 52.867 55.368 -2.501 1
1 524 . 9 1 1 A 44 44 ALA CB C 44 19.023 18.078 0.945 1
1 525 . 9 1 1 A 44 44 ALA N N 44 123.344 126.054 -2.710 1
1 526 . 9 1 1 A 45 45 ILE H H 45 7.860 7.995 -0.135 1
1 527 . 9 1 1 A 45 45 ILE HA H 45 3.855 4.223 -0.368 1
1 537 . 9 1 1 A 45 45 ILE C C 45 176.287 177.827 -1.540 1
1 538 . 9 1 1 A 45 45 ILE CA C 45 61.465 63.342 -1.877 1
1 539 . 9 1 1 A 45 45 ILE CB C 45 38.294 38.180 0.114 1
1 543 . 9 1 1 A 45 45 ILE N N 45 118.636 118.320 0.316 1
1 544 . 9 1 1 A 46 46 TRP H H 46 7.646 7.844 -0.198 1
1 545 . 9 1 1 A 46 46 TRP HA H 46 4.504 4.423 0.081 1
1 554 . 9 1 1 A 46 46 TRP C C 46 176.136 178.607 -2.471 1
1 555 . 9 1 1 A 46 46 TRP CA C 46 57.139 60.492 -3.353 1
1 556 . 9 1 1 A 46 46 TRP CB C 46 28.880 29.978 -1.098 1
1 558 . 9 1 1 A 46 46 TRP N N 46 122.947 122.396 0.551 1
1 560 . 9 1 1 A 47 47 TRP H H 47 7.502 8.310 -0.808 1
1 561 . 9 1 1 A 47 47 TRP HA H 47 4.482 4.404 0.078 1
1 570 . 9 1 1 A 47 47 TRP C C 47 176.149 178.668 -2.519 1
1 571 . 9 1 1 A 47 47 TRP CA C 47 57.197 60.119 -2.922 1
1 572 . 9 1 1 A 47 47 TRP CB C 47 29.703 29.507 0.196 1
1 573 . 9 1 1 A 47 47 TRP N N 47 120.943 121.618 -0.675 1
1 575 . 9 1 1 A 48 48 SER H H 48 7.861 8.500 -0.639 1
1 576 . 9 1 1 A 48 48 SER HA H 48 4.258 4.149 0.109 1
1 579 . 9 1 1 A 48 48 SER C C 48 174.600 175.477 -0.877 1
1 580 . 9 1 1 A 48 48 SER CA C 48 57.844 61.255 -3.411 1
1 581 . 9 1 1 A 48 48 SER CB C 48 64.102 62.812 1.290 1
1 582 . 9 1 1 A 48 48 SER N N 48 116.339 114.488 1.851 1
1 583 . 9 1 1 A 49 49 VAL H H 49 7.921 7.711 0.210 1
1 584 . 9 1 1 A 49 49 VAL HA H 49 3.990 3.672 0.318 1
1 592 . 9 1 1 A 49 49 VAL C C 49 176.402 177.680 -1.278 1
1 593 . 9 1 1 A 49 49 VAL CA C 49 62.909 66.008 -3.099 1
1 594 . 9 1 1 A 49 49 VAL CB C 49 32.467 31.370 1.097 1
1 597 . 9 1 1 A 49 49 VAL N N 49 121.079 121.595 -0.516 1
1 598 . 9 1 1 A 50 50 GLU H H 50 8.229 7.826 0.403 1
1 599 . 9 1 1 A 50 50 GLU HA H 50 4.307 3.977 0.330 1
1 604 . 9 1 1 A 50 50 GLU C C 50 176.506 177.172 -0.666 1
1 605 . 9 1 1 A 50 50 GLU CA C 50 57.040 58.899 -1.859 1
1 606 . 9 1 1 A 50 50 GLU CB C 50 30.123 29.353 0.770 1
1 608 . 9 1 1 A 50 50 GLU N N 50 122.433 121.301 1.132 1
1 609 . 9 1 1 A 51 51 THR H H 51 7.993 7.106 0.887 1
1 610 . 9 1 1 A 51 51 THR HA H 51 4.248 4.211 0.037 1
1 615 . 9 1 1 A 51 51 THR C C 51 174.430 175.043 -0.613 1
1 616 . 9 1 1 A 51 51 THR CA C 51 62.227 60.715 1.512 1
1 617 . 9 1 1 A 51 51 THR CB C 51 69.712 70.161 -0.449 1
1 619 . 9 1 1 A 51 51 THR N N 51 114.413 113.829 0.584 1
1 620 . 9 1 1 A 52 52 ALA H H 52 8.160 8.510 -0.350 1
1 621 . 9 1 1 A 52 52 ALA HA H 52 4.212 3.946 0.266 1
1 625 . 9 1 1 A 52 52 ALA C C 52 177.976 178.225 -0.249 1
1 626 . 9 1 1 A 52 52 ALA CA C 52 53.069 54.620 -1.551 1
1 627 . 9 1 1 A 52 52 ALA CB C 52 19.178 16.956 2.222 1
1 628 . 9 1 1 A 52 52 ALA N N 52 125.641 124.090 1.551 1
1 629 . 9 1 1 A 53 53 THR H H 53 8.022 8.206 -0.184 1
1 630 . 9 1 1 A 53 53 THR HA H 53 4.231 4.445 -0.214 1
1 635 . 9 1 1 A 53 53 THR C C 53 174.750 175.544 -0.794 1
1 636 . 9 1 1 A 53 53 THR CA C 53 62.231 64.147 -1.916 1
1 637 . 9 1 1 A 53 53 THR CB C 53 69.726 70.186 -0.460 1
1 639 . 9 1 1 A 53 53 THR N N 53 112.100 111.628 0.472 1
1 640 . 9 1 1 A 54 54 THR H H 54 7.999 8.081 -0.082 1
1 641 . 9 1 1 A 54 54 THR HA H 54 4.303 4.022 0.281 1
1 646 . 9 1 1 A 54 54 THR C C 54 174.592 173.395 1.197 1
1 647 . 9 1 1 A 54 54 THR CA C 54 62.002 63.261 -1.259 1
1 648 . 9 1 1 A 54 54 THR CB C 54 69.793 66.520 3.273 1
1 650 . 9 1 1 A 54 54 THR N N 54 116.238 116.683 -0.445 1
1 651 . 9 1 1 A 55 55 VAL H H 55 8.098 7.137 0.961 1
1 652 . 9 1 1 A 55 55 VAL HA H 55 4.017 4.697 -0.680 1
1 660 . 9 1 1 A 55 55 VAL C C 55 176.453 174.662 1.791 1
1 661 . 9 1 1 A 55 55 VAL CA C 55 62.650 60.741 1.909 1
1 662 . 9 1 1 A 55 55 VAL CB C 55 32.524 35.613 -3.089 1
1 665 . 9 1 1 A 55 55 VAL N N 55 122.445 121.205 1.240 1
1 666 . 9 1 1 A 56 56 GLY H H 56 8.308 8.752 -0.444 1
1 667 . 9 1 1 A 56 56 GLY HA2 H 56 3.839 4.419 -0.580 1
1 668 . 9 1 1 A 56 56 GLY HA3 H 56 4.019 4.480 -0.461 1
1 669 . 9 1 1 A 56 56 GLY C C 56 173.958 174.187 -0.229 1
1 670 . 9 1 1 A 56 56 GLY CA C 56 45.216 44.505 0.711 1
1 671 . 9 1 1 A 56 56 GLY N N 56 112.118 114.023 -1.905 1
1 672 . 9 1 1 A 57 57 TYR H H 57 8.051 9.123 -1.072 1
1 673 . 9 1 1 A 57 57 TYR HA H 57 4.402 4.398 0.004 1
1 680 . 9 1 1 A 57 57 TYR C C 57 176.557 176.140 0.417 1
1 681 . 9 1 1 A 57 57 TYR CA C 57 58.251 60.540 -2.289 1
1 682 . 9 1 1 A 57 57 TYR CB C 57 38.935 40.060 -1.125 1
1 683 . 9 1 1 A 57 57 TYR N N 57 120.259 123.633 -3.374 1
1 684 . 9 1 1 A 58 58 GLY H H 58 8.335 8.383 -0.048 1
1 685 . 9 1 1 A 58 58 GLY HA2 H 58 3.801 4.252 -0.451 1
1 686 . 9 1 1 A 58 58 GLY HA3 H 58 3.801 4.290 -0.489 1
1 687 . 9 1 1 A 58 58 GLY C C 58 173.911 174.765 -0.854 1
1 688 . 9 1 1 A 58 58 GLY CA C 58 45.311 45.645 -0.334 1
1 689 . 9 1 1 A 58 58 GLY N N 58 110.220 107.624 2.596 1
1 690 . 9 1 1 A 59 59 ASP H H 59 8.161 8.280 -0.119 1
1 691 . 9 1 1 A 59 59 ASP HA H 59 4.581 4.346 0.235 1
1 694 . 9 1 1 A 59 59 ASP C C 59 175.189 174.745 0.444 1
1 695 . 9 1 1 A 59 59 ASP CA C 59 53.570 57.020 -3.450 1
1 696 . 9 1 1 A 59 59 ASP CB C 59 38.750 41.847 -3.097 1
1 697 . 9 1 1 A 59 59 ASP N N 59 118.765 121.557 -2.792 1
1 698 . 9 1 1 A 60 60 ARG H H 60 8.086 6.666 1.420 1
1 699 . 9 1 1 A 60 60 ARG HA H 60 4.152 4.008 0.144 1
1 711 . 9 1 1 A 60 60 ARG C C 60 176.603 174.152 2.451 1
1 712 . 9 1 1 A 60 60 ARG CA C 60 56.825 53.261 3.564 1
1 713 . 9 1 1 A 60 60 ARG CB C 60 30.935 31.940 -1.005 1
1 716 . 9 1 1 A 60 60 ARG N N 60 120.762 116.607 4.155 1
1 718 . 9 1 1 A 61 61 TYR H H 61 8.117 8.410 -0.293 1
1 719 . 9 1 1 A 61 61 TYR HA H 61 4.488 5.002 -0.514 1
1 726 . 9 1 1 A 61 61 TYR CA C 61 56.688 54.809 1.879 1
1 727 . 9 1 1 A 61 61 TYR CB C 61 39.582 40.564 -0.982 1
1 728 . 9 1 1 A 61 61 TYR N N 61 121.714 118.279 3.435 1
1 729 . 9 1 1 A 62 62 PRO HA H 62 4.383 4.628 -0.245 1
1 736 . 9 1 1 A 62 62 PRO C C 62 177.441 175.171 2.270 1
1 737 . 9 1 1 A 62 62 PRO CA C 62 63.212 62.404 0.808 1
1 738 . 9 1 1 A 62 62 PRO CB C 62 31.939 33.491 -1.552 1
1 741 . 9 1 1 A 63 63 VAL H H 63 8.217 8.494 -0.277 1
1 742 . 9 1 1 A 63 63 VAL HA H 63 4.164 4.762 -0.598 1
1 750 . 9 1 1 A 63 63 VAL C C 63 176.576 175.412 1.164 1
1 751 . 9 1 1 A 63 63 VAL CA C 63 62.382 59.961 2.421 1
1 752 . 9 1 1 A 63 63 VAL CB C 63 32.862 35.165 -2.303 1
1 755 . 9 1 1 A 63 63 VAL N N 63 120.316 120.519 -0.203 1
1 756 . 9 1 1 A 64 64 THR H H 64 8.084 8.960 -0.876 1
1 757 . 9 1 1 A 64 64 THR HA H 64 4.313 3.943 0.370 1
1 762 . 9 1 1 A 64 64 THR C C 64 174.558 176.299 -1.741 1
1 763 . 9 1 1 A 64 64 THR CA C 64 62.606 66.519 -3.913 1
1 764 . 9 1 1 A 64 64 THR CB C 64 70.496 68.625 1.871 1
1 766 . 9 1 1 A 64 64 THR N N 64 116.779 120.056 -3.277 1
1 767 . 9 1 1 A 65 65 GLU H H 65 8.404 8.068 0.336 1
1 768 . 9 1 1 A 65 65 GLU HA H 65 4.314 4.067 0.247 1
1 773 . 9 1 1 A 65 65 GLU C C 65 175.016 178.797 -3.781 1
1 774 . 9 1 1 A 65 65 GLU CA C 65 57.750 58.892 -1.142 1
1 775 . 9 1 1 A 65 65 GLU CB C 65 30.083 28.881 1.202 1
1 777 . 9 1 1 A 65 65 GLU N N 65 122.323 120.664 1.659 1
1 778 . 9 1 1 A 66 66 GLU H H 66 8.397 7.950 0.447 1
1 779 . 9 1 1 A 66 66 GLU HA H 66 4.224 4.274 -0.050 1
1 784 . 9 1 1 A 66 66 GLU C C 66 176.855 177.121 -0.266 1
1 785 . 9 1 1 A 66 66 GLU CA C 66 58.023 55.977 2.046 1
1 786 . 9 1 1 A 66 66 GLU CB C 66 29.857 30.296 -0.439 1
1 788 . 9 1 1 A 66 66 GLU N N 66 122.201 114.920 7.281 1
1 789 . 9 1 1 A 67 67 GLY H H 67 8.376 7.470 0.906 1
1 790 . 9 1 1 A 67 67 GLY HA2 H 67 3.834 3.972 -0.138 1
1 791 . 9 1 1 A 67 67 GLY HA3 H 67 3.834 3.973 -0.139 1
1 792 . 9 1 1 A 67 67 GLY C C 67 173.071 175.148 -2.077 1
1 793 . 9 1 1 A 67 67 GLY CA C 67 45.871 46.643 -0.772 1
1 794 . 9 1 1 A 67 67 GLY N N 67 109.499 108.512 0.987 1
1 795 . 9 1 1 A 68 68 ARG H H 68 8.011 8.028 -0.017 1
1 796 . 9 1 1 A 68 68 ARG HA H 68 4.482 4.261 0.221 1
1 808 . 9 1 1 A 68 68 ARG C C 68 177.494 178.300 -0.806 1
1 809 . 9 1 1 A 68 68 ARG CA C 68 57.574 58.825 -1.251 1
1 810 . 9 1 1 A 68 68 ARG CB C 68 30.325 29.910 0.415 1
1 813 . 9 1 1 A 68 68 ARG N N 68 122.501 121.319 1.182 1
1 815 . 9 1 1 A 69 69 LYS H H 69 7.986 8.137 -0.151 1
1 816 . 9 1 1 A 69 69 LYS HA H 69 4.150 4.297 -0.147 1
1 825 . 9 1 1 A 69 69 LYS C C 69 178.168 179.284 -1.116 1
1 826 . 9 1 1 A 69 69 LYS CA C 69 57.781 58.408 -0.627 1
1 827 . 9 1 1 A 69 69 LYS CB C 69 32.705 32.152 0.553 1
1 831 . 9 1 1 A 69 69 LYS N N 69 120.934 118.313 2.621 1
1 832 . 9 1 1 A 70 70 VAL H H 70 7.848 8.104 -0.256 1
1 833 . 9 1 1 A 70 70 VAL HA H 70 4.088 3.568 0.520 1
1 841 . 9 1 1 A 70 70 VAL C C 70 175.998 177.977 -1.979 1
1 842 . 9 1 1 A 70 70 VAL CA C 70 64.206 66.385 -2.179 1
1 843 . 9 1 1 A 70 70 VAL CB C 70 31.873 31.715 0.158 1
1 846 . 9 1 1 A 70 70 VAL N N 70 120.324 119.726 0.598 1
1 847 . 9 1 1 A 71 71 ALA H H 71 8.300 7.980 0.320 1
1 848 . 9 1 1 A 71 71 ALA HA H 71 4.221 3.942 0.279 1
1 852 . 9 1 1 A 71 71 ALA C C 71 178.225 178.908 -0.683 1
1 853 . 9 1 1 A 71 71 ALA CA C 71 53.106 55.925 -2.819 1
1 854 . 9 1 1 A 71 71 ALA CB C 71 19.128 18.581 0.547 1
1 855 . 9 1 1 A 71 71 ALA N N 71 127.025 121.956 5.069 1
1 856 . 9 1 1 A 72 72 GLU H H 72 8.181 8.436 -0.255 1
1 857 . 9 1 1 A 72 72 GLU HA H 72 4.219 4.023 0.196 1
1 862 . 9 1 1 A 72 72 GLU C C 72 176.779 178.966 -2.187 1
1 863 . 9 1 1 A 72 72 GLU CA C 72 56.776 59.712 -2.936 1
1 864 . 9 1 1 A 72 72 GLU CB C 72 28.610 28.935 -0.325 1
1 866 . 9 1 1 A 72 72 GLU N N 72 123.008 118.034 4.974 1
1 867 . 9 1 1 A 73 73 GLN H H 73 8.132 7.750 0.382 1
1 868 . 9 1 1 A 73 73 GLN HA H 73 4.141 4.112 0.029 1
1 875 . 9 1 1 A 73 73 GLN C C 73 175.803 178.384 -2.581 1
1 876 . 9 1 1 A 73 73 GLN CA C 73 56.456 58.488 -2.032 1
1 877 . 9 1 1 A 73 73 GLN CB C 73 28.290 28.203 0.087 1
1 879 . 9 1 1 A 73 73 GLN N N 73 120.564 119.363 1.201 1
1 881 . 9 1 1 A 74 74 VAL H H 74 8.088 7.768 0.320 1
1 882 . 9 1 1 A 74 74 VAL HA H 74 3.986 3.493 0.493 1
1 890 . 9 1 1 A 74 74 VAL C C 74 176.167 177.814 -1.647 1
1 891 . 9 1 1 A 74 74 VAL CA C 74 63.123 66.251 -3.128 1
1 892 . 9 1 1 A 74 74 VAL CB C 74 30.082 31.194 -1.112 1
1 895 . 9 1 1 A 74 74 VAL N N 74 121.828 119.985 1.843 1
1 896 . 9 1 1 A 75 75 MET H H 75 8.167 7.881 0.286 1
1 897 . 9 1 1 A 75 75 MET HA H 75 4.093 3.988 0.105 1
1 903 . 9 1 1 A 75 75 MET C C 75 176.455 178.539 -2.084 1
1 904 . 9 1 1 A 75 75 MET N N 75 123.990 117.547 6.443 1
1 905 . 9 1 1 A 76 76 LYS H H 76 8.287 7.753 0.534 1
1 906 . 9 1 1 A 76 76 LYS HA H 76 4.234 3.975 0.259 1
1 915 . 9 1 1 A 76 76 LYS C C 76 176.220 178.331 -2.111 1
1 916 . 9 1 1 A 76 76 LYS CA C 76 56.765 58.908 -2.143 1
1 917 . 9 1 1 A 76 76 LYS CB C 76 33.055 32.305 0.750 1
1 921 . 9 1 1 A 76 76 LYS N N 76 122.725 120.192 2.533 1
1 922 . 9 1 1 A 77 77 ALA H H 77 8.308 8.314 -0.006 1
1 923 . 9 1 1 A 77 77 ALA HA H 77 4.213 3.976 0.237 1
1 927 . 9 1 1 A 77 77 ALA C C 77 178.097 179.868 -1.771 1
1 928 . 9 1 1 A 77 77 ALA CA C 77 52.740 54.935 -2.195 1
1 929 . 9 1 1 A 77 77 ALA CB C 77 19.427 18.379 1.048 1
1 930 . 9 1 1 A 77 77 ALA N N 77 125.316 121.928 3.388 1
1 931 . 9 1 1 A 78 78 GLY H H 78 8.284 7.920 0.364 1
1 932 . 9 1 1 A 78 78 GLY HA2 H 78 3.873 3.206 0.667 1
1 933 . 9 1 1 A 78 78 GLY HA3 H 78 3.873 3.371 0.502 1
1 934 . 9 1 1 A 78 78 GLY C C 78 174.065 174.978 -0.913 1
1 935 . 9 1 1 A 78 78 GLY CA C 78 45.497 47.078 -1.581 1
1 936 . 9 1 1 A 78 78 GLY N N 78 107.778 105.475 2.303 1
1 937 . 9 1 1 A 79 79 ILE H H 79 7.882 8.165 -0.283 1
1 938 . 9 1 1 A 79 79 ILE HA H 79 4.119 3.868 0.251 1
1 948 . 9 1 1 A 79 79 ILE C C 79 176.160 178.151 -1.991 1
1 949 . 9 1 1 A 79 79 ILE CA C 79 61.436 64.164 -2.728 1
1 950 . 9 1 1 A 79 79 ILE CB C 79 38.904 37.275 1.629 1
1 954 . 9 1 1 A 79 79 ILE N N 79 119.794 122.461 -2.667 1
1 955 . 9 1 1 A 80 80 GLU H H 80 8.354 8.180 0.174 1
1 956 . 9 1 1 A 80 80 GLU HA H 80 4.282 3.994 0.288 1
1 961 . 9 1 1 A 80 80 GLU C C 80 176.174 179.494 -3.320 1
1 962 . 9 1 1 A 80 80 GLU CA C 80 57.178 59.343 -2.165 1
1 963 . 9 1 1 A 80 80 GLU CB C 80 30.019 29.463 0.556 1
1 965 . 9 1 1 A 80 80 GLU N N 80 124.311 119.129 5.182 1
1 966 . 9 1 1 A 81 81 VAL H H 81 8.205 7.518 0.687 1
1 967 . 9 1 1 A 81 81 VAL HA H 81 3.985 3.490 0.495 1
1 975 . 9 1 1 A 81 81 VAL C C 81 175.815 177.966 -2.151 1
1 976 . 9 1 1 A 81 81 VAL CA C 81 62.865 66.420 -3.555 1
1 977 . 9 1 1 A 81 81 VAL CB C 81 32.629 31.504 1.125 1
1 980 . 9 1 1 A 81 81 VAL N N 81 121.106 121.501 -0.395 1
1 981 . 9 1 1 A 82 82 PHE H H 82 8.252 7.781 0.471 1
1 982 . 9 1 1 A 82 82 PHE HA H 82 4.551 4.249 0.302 1
1 990 . 9 1 1 A 82 82 PHE C C 82 175.631 178.328 -2.697 1
1 991 . 9 1 1 A 82 82 PHE CA C 82 58.206 60.813 -2.607 1
1 992 . 9 1 1 A 82 82 PHE CB C 82 39.431 37.991 1.440 1
1 993 . 9 1 1 A 82 82 PHE N N 82 123.622 118.602 5.020 1
1 994 . 9 1 1 A 83 83 ALA H H 83 8.184 8.668 -0.484 1
1 995 . 9 1 1 A 83 83 ALA HA H 83 4.230 4.113 0.117 1
1 999 . 9 1 1 A 83 83 ALA C C 83 178.025 179.827 -1.802 1
1 1000 . 9 1 1 A 83 83 ALA CA C 83 52.731 55.327 -2.596 1
1 1001 . 9 1 1 A 83 83 ALA CB C 83 19.359 18.019 1.340 1
1 1002 . 9 1 1 A 83 83 ALA N N 83 125.081 122.619 2.462 1
1 1003 . 9 1 1 A 84 84 LEU H H 84 8.104 7.945 0.159 1
1 1004 . 9 1 1 A 84 84 LEU HA H 84 4.167 4.085 0.082 1
1 1014 . 9 1 1 A 84 84 LEU C C 84 176.390 178.791 -2.401 1
1 1015 . 9 1 1 A 84 84 LEU CA C 84 55.786 57.618 -1.832 1
1 1016 . 9 1 1 A 84 84 LEU CB C 84 42.179 41.650 0.529 1
1 1020 . 9 1 1 A 84 84 LEU N N 84 119.064 119.895 -0.831 1
1 1021 . 9 1 1 A 85 85 VAL H H 85 8.155 7.903 0.252 1
1 1022 . 9 1 1 A 85 85 VAL HA H 85 4.073 3.775 0.298 1
1 1030 . 9 1 1 A 85 85 VAL C C 85 176.521 178.428 -1.907 1
1 1031 . 9 1 1 A 85 85 VAL CA C 85 62.762 65.948 -3.186 1
1 1032 . 9 1 1 A 85 85 VAL CB C 85 32.498 31.580 0.918 1
1 1035 . 9 1 1 A 85 85 VAL N N 85 121.743 119.045 2.698 1
1 1036 . 9 1 1 A 86 86 THR H H 86 8.052 7.951 0.101 1
1 1037 . 9 1 1 A 86 86 THR HA H 86 4.141 3.980 0.161 1
1 1042 . 9 1 1 A 86 86 THR C C 86 174.706 176.494 -1.788 1
1 1043 . 9 1 1 A 86 86 THR CA C 86 62.351 66.204 -3.853 1
1 1044 . 9 1 1 A 86 86 THR CB C 86 69.618 68.377 1.241 1
1 1046 . 9 1 1 A 86 86 THR N N 86 117.693 115.706 1.987 1
1 1047 . 9 1 1 A 87 87 ALA H H 87 8.216 8.462 -0.246 1
1 1048 . 9 1 1 A 87 87 ALA HA H 87 4.170 4.068 0.102 1
1 1052 . 9 1 1 A 87 87 ALA C C 87 178.003 179.410 -1.407 1
1 1053 . 9 1 1 A 87 87 ALA CA C 87 52.967 54.675 -1.708 1
1 1054 . 9 1 1 A 87 87 ALA CB C 87 18.326 18.203 0.123 1
1 1055 . 9 1 1 A 87 87 ALA N N 87 126.174 123.238 2.936 1
1 1056 . 9 1 1 A 88 88 ALA H H 88 8.129 7.951 0.178 1
1 1057 . 9 1 1 A 88 88 ALA HA H 88 4.147 4.223 -0.076 1
1 1061 . 9 1 1 A 88 88 ALA C C 88 178.246 179.326 -1.080 1
1 1062 . 9 1 1 A 88 88 ALA CA C 88 52.961 54.386 -1.425 1
1 1063 . 9 1 1 A 88 88 ALA CB C 88 19.290 19.013 0.277 1
1 1064 . 9 1 1 A 88 88 ALA N N 88 122.649 119.756 2.893 1
1 1065 . 9 1 1 A 89 89 LEU H H 89 7.992 7.797 0.195 1
1 1066 . 9 1 1 A 89 89 LEU HA H 89 4.153 3.983 0.170 1
1 1076 . 9 1 1 A 89 89 LEU C C 89 176.375 179.266 -2.891 1
1 1077 . 9 1 1 A 89 89 LEU CA C 89 57.099 57.991 -0.892 1
1 1078 . 9 1 1 A 89 89 LEU CB C 89 42.055 41.303 0.752 1
1 1082 . 9 1 1 A 89 89 LEU N N 89 120.616 119.087 1.529 1
1 1083 . 9 1 1 A 90 90 ALA H H 90 8.168 8.268 -0.100 1
1 1084 . 9 1 1 A 90 90 ALA HA H 90 4.218 4.309 -0.091 1
1 1088 . 9 1 1 A 90 90 ALA C C 90 178.487 179.220 -0.733 1
1 1089 . 9 1 1 A 90 90 ALA CA C 90 53.043 54.612 -1.569 1
1 1090 . 9 1 1 A 90 90 ALA CB C 90 19.269 18.343 0.926 1
1 1091 . 9 1 1 A 90 90 ALA N N 90 124.243 121.906 2.337 1
1 1092 . 9 1 1 A 91 91 THR H H 91 7.988 7.474 0.514 1
1 1093 . 9 1 1 A 91 91 THR HA H 91 4.181 4.087 0.094 1
1 1098 . 9 1 1 A 91 91 THR C C 91 174.931 175.484 -0.553 1
1 1099 . 9 1 1 A 91 91 THR CA C 91 62.190 63.421 -1.231 1
1 1100 . 9 1 1 A 91 91 THR CB C 91 69.198 68.952 0.246 1
1 1102 . 9 1 1 A 91 91 THR N N 91 112.659 113.503 -0.844 1
1 1103 . 9 1 1 A 92 92 ASP H H 92 8.254 8.034 0.220 1
1 1104 . 9 1 1 A 92 92 ASP HA H 92 4.541 4.281 0.260 1
1 1107 . 9 1 1 A 92 92 ASP C C 92 175.823 178.077 -2.254 1
1 1108 . 9 1 1 A 92 92 ASP CA C 92 53.570 57.059 -3.489 1
1 1109 . 9 1 1 A 92 92 ASP CB C 92 38.750 40.801 -2.051 1
1 1110 . 9 1 1 A 92 92 ASP N N 92 120.688 121.501 -0.813 1
1 1111 . 9 1 1 A 93 93 PHE H H 93 8.048 8.277 -0.229 1
1 1112 . 9 1 1 A 93 93 PHE HA H 93 4.547 4.438 0.109 1
1 1120 . 9 1 1 A 93 93 PHE C C 93 176.384 177.175 -0.791 1
1 1121 . 9 1 1 A 93 93 PHE CA C 93 58.633 59.381 -0.748 1
1 1122 . 9 1 1 A 93 93 PHE CB C 93 39.451 37.500 1.951 1
1 1123 . 9 1 1 A 93 93 PHE N N 93 120.763 117.598 3.165 1
1 1124 . 9 1 1 A 94 94 VAL H H 94 7.904 7.639 0.265 1
1 1125 . 9 1 1 A 94 94 VAL HA H 94 4.364 3.037 1.327 1
1 1133 . 9 1 1 A 94 94 VAL C C 94 176.851 177.859 -1.008 1
1 1134 . 9 1 1 A 94 94 VAL CA C 94 63.297 65.835 -2.538 1
1 1135 . 9 1 1 A 94 94 VAL CB C 94 29.241 31.005 -1.764 1
1 1138 . 9 1 1 A 94 94 VAL N N 94 121.478 120.317 1.161 1
1 1139 . 9 1 1 A 95 95 ARG H H 95 8.146 7.910 0.236 1
1 1140 . 9 1 1 A 95 95 ARG HA H 95 4.134 4.150 -0.016 1
1 1152 . 9 1 1 A 95 95 ARG C C 95 177.395 178.753 -1.358 1
1 1153 . 9 1 1 A 95 95 ARG CA C 95 55.978 59.227 -3.249 1
1 1154 . 9 1 1 A 95 95 ARG CB C 95 31.070 29.702 1.368 1
1 1157 . 9 1 1 A 95 95 ARG N N 95 122.920 119.498 3.422 1
1 1159 . 9 1 1 A 96 96 ARG H H 96 8.313 7.824 0.489 1
1 1160 . 9 1 1 A 96 96 ARG HA H 96 4.180 4.086 0.094 1
1 1172 . 9 1 1 A 96 96 ARG C C 96 176.839 178.066 -1.227 1
1 1173 . 9 1 1 A 96 96 ARG CA C 96 56.831 58.904 -2.073 1
1 1174 . 9 1 1 A 96 96 ARG CB C 96 30.952 29.831 1.121 1
1 1177 . 9 1 1 A 96 96 ARG N N 96 121.064 120.619 0.445 1
1 1179 . 9 1 1 A 97 97 GLU H H 97 8.356 8.043 0.313 1
1 1180 . 9 1 1 A 97 97 GLU HA H 97 4.220 4.420 -0.200 1
1 1185 . 9 1 1 A 97 97 GLU C C 97 176.319 176.667 -0.348 1
1 1186 . 9 1 1 A 97 97 GLU CA C 97 57.408 57.925 -0.517 1
1 1187 . 9 1 1 A 97 97 GLU CB C 97 28.610 31.518 -2.908 1
1 1189 . 9 1 1 A 97 97 GLU N N 97 121.754 118.325 3.429 1
1 1190 . 9 1 1 A 98 98 GLU H H 98 8.328 7.905 0.423 1
1 1191 . 9 1 1 A 98 98 GLU HA H 98 4.240 4.101 0.139 1
1 1196 . 9 1 1 A 98 98 GLU C C 98 176.132 176.772 -0.640 1
1 1197 . 9 1 1 A 98 98 GLU CA C 98 57.666 56.219 1.447 1
1 1198 . 9 1 1 A 98 98 GLU CB C 98 30.045 30.371 -0.326 1
1 1200 . 9 1 1 A 98 98 GLU N N 98 121.414 119.869 1.545 1
1 1201 . 9 1 1 A 99 99 GLU H H 99 8.418 8.292 0.126 1
1 1202 . 9 1 1 A 99 99 GLU HA H 99 4.299 4.128 0.171 1
1 1207 . 9 1 1 A 99 99 GLU C C 99 177.021 176.876 0.145 1
1 1208 . 9 1 1 A 99 99 GLU CA C 99 57.397 58.188 -0.791 1
1 1209 . 9 1 1 A 99 99 GLU CB C 99 30.309 29.422 0.887 1
1 1211 . 9 1 1 A 99 99 GLU N N 99 121.312 121.846 -0.534 1
1 1212 . 9 1 1 A 100 100 ARG H H 100 8.013 8.187 -0.174 1
1 1213 . 9 1 1 A 100 100 ARG HA H 100 4.180 3.937 0.243 1
1 1225 . 9 1 1 A 100 100 ARG C C 100 176.313 178.126 -1.813 1
1 1226 . 9 1 1 A 100 100 ARG CA C 100 57.238 59.389 -2.151 1
1 1227 . 9 1 1 A 100 100 ARG CB C 100 30.298 29.908 0.390 1
1 1230 . 9 1 1 A 100 100 ARG N N 100 121.871 119.284 2.587 1
1 1232 . 9 1 1 A 101 101 ARG H H 101 8.260 7.709 0.551 1
1 1233 . 9 1 1 A 101 101 ARG HA H 101 4.260 4.330 -0.070 1
1 1245 . 9 1 1 A 101 101 ARG C C 101 176.753 176.453 0.300 1
1 1246 . 9 1 1 A 101 101 ARG CA C 101 56.492 55.822 0.670 1
1 1247 . 9 1 1 A 101 101 ARG CB C 101 30.838 30.399 0.439 1
1 1250 . 9 1 1 A 101 101 ARG N N 101 122.019 115.621 6.398 1
1 1252 . 9 1 1 A 102 102 GLY H H 102 8.380 8.064 0.316 1
1 1253 . 9 1 1 A 102 102 GLY HA2 H 102 3.849 3.970 -0.121 1
1 1254 . 9 1 1 A 102 102 GLY HA3 H 102 3.849 3.978 -0.129 1
1 1255 . 9 1 1 A 102 102 GLY C C 102 173.145 174.766 -1.621 1
1 1256 . 9 1 1 A 102 102 GLY CA C 102 45.401 45.479 -0.078 1
1 1257 . 9 1 1 A 102 102 GLY N N 102 110.110 107.613 2.497 1
1 9 . 10 1 1 A 2 2 ALA H H 2 8.742 7.999 0.743 1
1 10 . 10 1 1 A 2 2 ALA HA H 2 4.302 4.105 0.197 1
1 14 . 10 1 1 A 2 2 ALA C C 2 177.216 178.136 -0.920 1
1 15 . 10 1 1 A 2 2 ALA CA C 2 52.876 55.210 -2.334 1
1 16 . 10 1 1 A 2 2 ALA CB C 2 19.182 19.266 -0.084 1
1 17 . 10 1 1 A 2 2 ALA N N 2 124.657 123.472 1.185 1
1 18 . 10 1 1 A 3 3 ASP H H 3 8.432 8.268 0.164 1
1 19 . 10 1 1 A 3 3 ASP HA H 3 4.530 4.888 -0.358 1
1 22 . 10 1 1 A 3 3 ASP C C 3 176.023 176.904 -0.881 1
1 23 . 10 1 1 A 3 3 ASP CA C 3 53.721 54.716 -0.995 1
1 24 . 10 1 1 A 3 3 ASP CB C 3 38.752 41.563 -2.811 1
1 25 . 10 1 1 A 3 3 ASP N N 3 118.729 114.020 4.709 1
1 26 . 10 1 1 A 4 4 HIS H H 4 8.549 8.759 -0.210 1
1 27 . 10 1 1 A 4 4 HIS HA H 4 4.568 4.279 0.289 1
1 32 . 10 1 1 A 4 4 HIS C C 4 175.101 177.987 -2.886 1
1 33 . 10 1 1 A 4 4 HIS CA C 4 56.640 59.325 -2.685 1
1 34 . 10 1 1 A 4 4 HIS CB C 4 28.961 28.920 0.041 1
1 37 . 10 1 1 A 4 4 HIS N N 4 119.650 118.247 1.403 1
1 38 . 10 1 1 A 5 5 GLU H H 5 8.330 7.613 0.717 1
1 39 . 10 1 1 A 5 5 GLU HA H 5 4.207 3.646 0.561 1
1 44 . 10 1 1 A 5 5 GLU C C 5 175.749 179.071 -3.322 1
1 45 . 10 1 1 A 5 5 GLU CA C 5 56.594 59.682 -3.088 1
1 46 . 10 1 1 A 5 5 GLU CB C 5 29.285 28.803 0.482 1
1 48 . 10 1 1 A 5 5 GLU N N 5 120.937 121.027 -0.090 1
1 49 . 10 1 1 A 6 6 ARG H H 6 8.325 7.789 0.536 1
1 50 . 10 1 1 A 6 6 ARG HA H 6 4.571 4.109 0.462 1
1 62 . 10 1 1 A 6 6 ARG C C 6 177.578 179.045 -1.467 1
1 63 . 10 1 1 A 6 6 ARG CA C 6 56.716 59.530 -2.814 1
1 64 . 10 1 1 A 6 6 ARG CB C 6 30.744 29.834 0.910 1
1 67 . 10 1 1 A 6 6 ARG N N 6 120.267 120.264 0.003 1
1 69 . 10 1 1 A 7 7 GLU H H 7 8.136 7.449 0.687 1
1 70 . 10 1 1 A 7 7 GLU HA H 7 4.165 4.112 0.053 1
1 75 . 10 1 1 A 7 7 GLU C C 7 177.156 178.893 -1.737 1
1 76 . 10 1 1 A 7 7 GLU CA C 7 57.125 58.951 -1.826 1
1 77 . 10 1 1 A 7 7 GLU CB C 7 30.149 29.234 0.915 1
1 79 . 10 1 1 A 7 7 GLU N N 7 121.008 119.371 1.637 1
1 80 . 10 1 1 A 8 8 ALA H H 8 8.325 7.756 0.569 1
1 81 . 10 1 1 A 8 8 ALA HA H 8 4.212 4.082 0.130 1
1 85 . 10 1 1 A 8 8 ALA C C 8 178.913 179.326 -0.413 1
1 86 . 10 1 1 A 8 8 ALA CA C 8 52.832 55.145 -2.313 1
1 87 . 10 1 1 A 8 8 ALA CB C 8 18.909 18.189 0.720 1
1 88 . 10 1 1 A 8 8 ALA N N 8 124.538 122.177 2.361 1
1 89 . 10 1 1 A 9 9 GLN H H 9 8.159 7.896 0.263 1
1 90 . 10 1 1 A 9 9 GLN HA H 9 4.140 4.011 0.129 1
1 97 . 10 1 1 A 9 9 GLN C C 9 175.771 177.950 -2.179 1
1 98 . 10 1 1 A 9 9 GLN CA C 9 57.655 59.114 -1.459 1
1 99 . 10 1 1 A 9 9 GLN CB C 9 28.606 28.427 0.179 1
1 101 . 10 1 1 A 9 9 GLN N N 9 124.103 117.768 6.335 1
1 103 . 10 1 1 A 10 10 LYS H H 10 8.148 8.194 -0.046 1
1 104 . 10 1 1 A 10 10 LYS HA H 10 4.204 4.137 0.067 1
1 113 . 10 1 1 A 10 10 LYS C C 10 177.798 178.537 -0.739 1
1 114 . 10 1 1 A 10 10 LYS CA C 10 57.139 58.882 -1.743 1
1 115 . 10 1 1 A 10 10 LYS CB C 10 33.040 32.200 0.840 1
1 119 . 10 1 1 A 10 10 LYS N N 10 120.635 118.650 1.985 1
1 120 . 10 1 1 A 11 11 ALA H H 11 8.148 7.914 0.234 1
1 121 . 10 1 1 A 11 11 ALA HA H 11 4.140 4.034 0.106 1
1 125 . 10 1 1 A 11 11 ALA C C 11 178.173 180.007 -1.834 1
1 126 . 10 1 1 A 11 11 ALA CA C 11 53.351 54.922 -1.571 1
1 127 . 10 1 1 A 11 11 ALA CB C 11 19.128 18.112 1.016 1
1 128 . 10 1 1 A 11 11 ALA N N 11 123.171 121.130 2.041 1
1 129 . 10 1 1 A 12 12 GLU H H 12 8.248 7.728 0.520 1
1 130 . 10 1 1 A 12 12 GLU HA H 12 4.222 4.081 0.141 1
1 135 . 10 1 1 A 12 12 GLU C C 12 176.385 179.455 -3.070 1
1 136 . 10 1 1 A 12 12 GLU CA C 12 57.442 59.464 -2.022 1
1 137 . 10 1 1 A 12 12 GLU CB C 12 30.001 29.098 0.903 1
1 139 . 10 1 1 A 12 12 GLU N N 12 119.451 118.323 1.128 1
1 140 . 10 1 1 A 13 13 GLU H H 13 8.372 7.784 0.588 1
1 141 . 10 1 1 A 13 13 GLU HA H 13 4.265 4.123 0.142 1
1 146 . 10 1 1 A 13 13 GLU C C 13 178.060 179.848 -1.788 1
1 147 . 10 1 1 A 13 13 GLU CA C 13 56.828 58.908 -2.080 1
1 148 . 10 1 1 A 13 13 GLU CB C 13 30.082 29.278 0.804 1
1 150 . 10 1 1 A 13 13 GLU N N 13 121.080 121.016 0.064 1
1 151 . 10 1 1 A 14 14 GLU H H 14 8.152 7.508 0.644 1
1 152 . 10 1 1 A 14 14 GLU HA H 14 4.142 4.210 -0.068 1
1 157 . 10 1 1 A 14 14 GLU C C 14 176.274 178.755 -2.481 1
1 158 . 10 1 1 A 14 14 GLU CA C 14 56.892 58.923 -2.031 1
1 159 . 10 1 1 A 14 14 GLU CB C 14 28.169 29.759 -1.590 1
1 161 . 10 1 1 A 14 14 GLU N N 14 120.236 119.720 0.516 1
1 162 . 10 1 1 A 15 15 LEU H H 15 8.301 7.777 0.524 1
1 163 . 10 1 1 A 15 15 LEU HA H 15 4.224 4.009 0.215 1
1 173 . 10 1 1 A 15 15 LEU C C 15 177.983 178.649 -0.666 1
1 174 . 10 1 1 A 15 15 LEU CA C 15 56.344 57.633 -1.289 1
1 175 . 10 1 1 A 15 15 LEU CB C 15 42.250 41.905 0.345 1
1 179 . 10 1 1 A 15 15 LEU N N 15 123.072 121.321 1.751 1
1 180 . 10 1 1 A 16 16 GLN H H 16 8.132 7.689 0.443 1
1 181 . 10 1 1 A 16 16 GLN HA H 16 4.145 4.054 0.091 1
1 188 . 10 1 1 A 16 16 GLN C C 16 177.674 178.842 -1.168 1
1 189 . 10 1 1 A 16 16 GLN CA C 16 57.971 58.973 -1.002 1
1 190 . 10 1 1 A 16 16 GLN CB C 16 29.889 27.928 1.961 1
1 192 . 10 1 1 A 16 16 GLN N N 16 119.160 118.185 0.975 1
1 194 . 10 1 1 A 17 17 LYS H H 17 8.214 7.490 0.724 1
1 195 . 10 1 1 A 17 17 LYS HA H 17 4.140 4.208 -0.068 1
1 204 . 10 1 1 A 17 17 LYS C C 17 177.646 178.931 -1.285 1
1 205 . 10 1 1 A 17 17 LYS CA C 17 57.115 59.061 -1.946 1
1 206 . 10 1 1 A 17 17 LYS CB C 17 32.833 32.123 0.710 1
1 210 . 10 1 1 A 17 17 LYS N N 17 120.310 121.063 -0.753 1
1 211 . 10 1 1 A 18 18 VAL H H 18 7.871 7.686 0.185 1
1 212 . 10 1 1 A 18 18 VAL HA H 18 4.108 3.588 0.520 1
1 220 . 10 1 1 A 18 18 VAL C C 18 177.476 178.361 -0.885 1
1 221 . 10 1 1 A 18 18 VAL CA C 18 63.634 66.294 -2.660 1
1 222 . 10 1 1 A 18 18 VAL CB C 18 31.886 31.428 0.458 1
1 225 . 10 1 1 A 18 18 VAL N N 18 120.571 120.379 0.192 1
1 226 . 10 1 1 A 19 19 LEU H H 19 8.180 7.956 0.224 1
1 227 . 10 1 1 A 19 19 LEU HA H 19 4.042 3.828 0.214 1
1 237 . 10 1 1 A 19 19 LEU C C 19 179.462 179.559 -0.097 1
1 238 . 10 1 1 A 19 19 LEU CA C 19 57.653 58.561 -0.908 1
1 239 . 10 1 1 A 19 19 LEU CB C 19 41.800 41.588 0.212 1
1 243 . 10 1 1 A 19 19 LEU N N 19 122.936 120.739 2.197 1
1 244 . 10 1 1 A 20 20 GLU H H 20 8.122 7.639 0.483 1
1 245 . 10 1 1 A 20 20 GLU HA H 20 4.156 3.985 0.171 1
1 250 . 10 1 1 A 20 20 GLU C C 20 178.001 179.517 -1.516 1
1 251 . 10 1 1 A 20 20 GLU CA C 20 58.045 59.703 -1.658 1
1 252 . 10 1 1 A 20 20 GLU CB C 20 30.092 29.241 0.851 1
1 254 . 10 1 1 A 20 20 GLU N N 20 118.745 117.493 1.252 1
1 255 . 10 1 1 A 21 21 GLU H H 21 8.190 8.182 0.008 1
1 256 . 10 1 1 A 21 21 GLU HA H 21 4.144 4.065 0.079 1
1 261 . 10 1 1 A 21 21 GLU C C 21 177.290 178.749 -1.459 1
1 262 . 10 1 1 A 21 21 GLU CA C 21 58.109 58.858 -0.749 1
1 263 . 10 1 1 A 21 21 GLU CB C 21 29.868 29.632 0.236 1
1 265 . 10 1 1 A 21 21 GLU N N 21 119.542 120.731 -1.189 1
1 266 . 10 1 1 A 22 22 ALA H H 22 8.092 8.537 -0.445 1
1 267 . 10 1 1 A 22 22 ALA HA H 22 4.173 4.116 0.057 1
1 271 . 10 1 1 A 22 22 ALA C C 22 179.020 179.406 -0.386 1
1 272 . 10 1 1 A 22 22 ALA CA C 22 53.944 55.464 -1.520 1
1 273 . 10 1 1 A 22 22 ALA CB C 22 18.578 18.037 0.541 1
1 274 . 10 1 1 A 22 22 ALA N N 22 123.378 122.990 0.388 1
1 275 . 10 1 1 A 23 23 SER H H 23 8.079 8.189 -0.110 1
1 276 . 10 1 1 A 23 23 SER HA H 23 4.300 4.239 0.061 1
1 279 . 10 1 1 A 23 23 SER C C 23 173.125 175.902 -2.777 1
1 280 . 10 1 1 A 23 23 SER CA C 23 59.414 61.326 -1.912 1
1 281 . 10 1 1 A 23 23 SER CB C 23 63.520 62.882 0.638 1
1 282 . 10 1 1 A 23 23 SER N N 23 114.637 113.417 1.220 1
1 283 . 10 1 1 A 24 24 LYS H H 24 8.032 7.550 0.482 1
1 284 . 10 1 1 A 24 24 LYS HA H 24 4.325 3.997 0.328 1
1 293 . 10 1 1 A 24 24 LYS C C 24 175.423 178.992 -3.569 1
1 294 . 10 1 1 A 24 24 LYS CA C 24 57.273 59.560 -2.287 1
1 295 . 10 1 1 A 24 24 LYS CB C 24 31.200 32.208 -1.008 1
1 299 . 10 1 1 A 24 24 LYS N N 24 122.635 121.333 1.302 1
1 300 . 10 1 1 A 25 25 LYS H H 25 8.042 7.976 0.066 1
1 301 . 10 1 1 A 25 25 LYS HA H 25 4.169 4.055 0.114 1
1 310 . 10 1 1 A 25 25 LYS C C 25 177.025 179.318 -2.293 1
1 311 . 10 1 1 A 25 25 LYS CA C 25 56.876 59.407 -2.531 1
1 312 . 10 1 1 A 25 25 LYS CB C 25 31.200 32.421 -1.221 1
1 316 . 10 1 1 A 25 25 LYS N N 25 121.079 119.078 2.001 1
1 317 . 10 1 1 A 26 26 ALA H H 26 8.103 8.919 -0.816 1
1 318 . 10 1 1 A 26 26 ALA HA H 26 4.196 4.059 0.137 1
1 322 . 10 1 1 A 26 26 ALA C C 26 178.418 180.155 -1.737 1
1 323 . 10 1 1 A 26 26 ALA CA C 26 53.049 55.403 -2.354 1
1 324 . 10 1 1 A 26 26 ALA CB C 26 19.055 18.199 0.856 1
1 325 . 10 1 1 A 26 26 ALA N N 26 124.589 122.730 1.859 1
1 326 . 10 1 1 A 27 27 VAL H H 27 8.030 7.927 0.103 1
1 327 . 10 1 1 A 27 27 VAL HA H 27 3.945 3.811 0.134 1
1 335 . 10 1 1 A 27 27 VAL C C 27 179.177 177.594 1.583 1
1 336 . 10 1 1 A 27 27 VAL CA C 27 63.001 64.856 -1.855 1
1 337 . 10 1 1 A 27 27 VAL CB C 27 32.449 31.279 1.170 1
1 340 . 10 1 1 A 27 27 VAL N N 27 119.340 117.363 1.977 1
1 341 . 10 1 1 A 28 28 GLU H H 28 8.187 7.727 0.460 1
1 342 . 10 1 1 A 28 28 GLU HA H 28 4.166 4.050 0.116 1
1 347 . 10 1 1 A 28 28 GLU C C 28 176.411 179.021 -2.610 1
1 348 . 10 1 1 A 28 28 GLU CA C 28 57.290 59.433 -2.143 1
1 349 . 10 1 1 A 28 28 GLU CB C 28 30.025 29.564 0.461 1
1 351 . 10 1 1 A 28 28 GLU N N 28 120.351 122.448 -2.097 1
1 352 . 10 1 1 A 29 29 ALA H H 29 8.173 8.863 -0.690 1
1 353 . 10 1 1 A 29 29 ALA HA H 29 4.230 4.097 0.133 1
1 357 . 10 1 1 A 29 29 ALA C C 29 176.924 179.528 -2.604 1
1 358 . 10 1 1 A 29 29 ALA CA C 29 53.338 55.099 -1.761 1
1 359 . 10 1 1 A 29 29 ALA CB C 29 18.964 18.401 0.563 1
1 360 . 10 1 1 A 29 29 ALA N N 29 124.463 122.681 1.782 1
1 361 . 10 1 1 A 30 30 GLU H H 30 8.239 8.139 0.100 1
1 362 . 10 1 1 A 30 30 GLU HA H 30 4.251 4.284 -0.033 1
1 367 . 10 1 1 A 30 30 GLU C C 30 175.016 177.055 -2.039 1
1 368 . 10 1 1 A 30 30 GLU CA C 30 58.033 57.812 0.221 1
1 369 . 10 1 1 A 30 30 GLU CB C 30 29.996 29.516 0.480 1
1 371 . 10 1 1 A 30 30 GLU N N 30 122.971 116.491 6.480 1
1 372 . 10 1 1 A 31 31 ARG H H 31 8.261 7.756 0.505 1
1 373 . 10 1 1 A 31 31 ARG HA H 31 4.255 4.204 0.051 1
1 385 . 10 1 1 A 31 31 ARG C C 31 176.727 176.494 0.233 1
1 386 . 10 1 1 A 31 31 ARG CA C 31 56.565 56.131 0.434 1
1 387 . 10 1 1 A 31 31 ARG CB C 31 30.783 29.430 1.353 1
1 390 . 10 1 1 A 31 31 ARG N N 31 121.894 121.454 0.440 1
1 392 . 10 1 1 A 32 32 GLY H H 32 8.302 8.574 -0.272 1
1 393 . 10 1 1 A 32 32 GLY HA2 H 32 3.852 4.063 -0.211 1
1 394 . 10 1 1 A 32 32 GLY HA3 H 32 3.852 4.065 -0.213 1
1 395 . 10 1 1 A 32 32 GLY C C 32 173.994 174.628 -0.634 1
1 396 . 10 1 1 A 32 32 GLY CA C 32 45.077 45.089 -0.012 1
1 397 . 10 1 1 A 32 32 GLY N N 32 109.773 112.353 -2.580 1
1 398 . 10 1 1 A 33 33 ALA H H 33 8.011 7.711 0.300 1
1 399 . 10 1 1 A 33 33 ALA HA H 33 4.212 4.406 -0.194 1
1 403 . 10 1 1 A 33 33 ALA CA C 33 50.522 51.010 -0.488 1
1 404 . 10 1 1 A 33 33 ALA CB C 33 18.962 19.509 -0.547 1
1 405 . 10 1 1 A 33 33 ALA N N 33 123.601 124.310 -0.709 1
1 406 . 10 1 1 A 34 34 PRO HA H 34 4.352 4.286 0.066 1
1 413 . 10 1 1 A 34 34 PRO C C 34 177.746 177.321 0.425 1
1 414 . 10 1 1 A 34 34 PRO CA C 34 63.520 63.620 -0.100 1
1 415 . 10 1 1 A 34 34 PRO CB C 34 31.938 31.926 0.012 1
1 418 . 10 1 1 A 35 35 GLY H H 35 8.433 8.794 -0.361 1
1 419 . 10 1 1 A 35 35 GLY HA2 H 35 3.848 3.932 -0.084 1
1 420 . 10 1 1 A 35 35 GLY HA3 H 35 3.848 3.933 -0.085 1
1 421 . 10 1 1 A 35 35 GLY C C 35 173.266 174.170 -0.904 1
1 422 . 10 1 1 A 35 35 GLY CA C 35 45.405 45.425 -0.020 1
1 423 . 10 1 1 A 35 35 GLY N N 35 109.298 111.530 -2.232 1
1 424 . 10 1 1 A 36 36 ALA H H 36 8.095 7.218 0.877 1
1 425 . 10 1 1 A 36 36 ALA HA H 36 4.196 4.464 -0.268 1
1 429 . 10 1 1 A 36 36 ALA C C 36 177.944 176.902 1.042 1
1 430 . 10 1 1 A 36 36 ALA CA C 36 52.551 51.771 0.780 1
1 431 . 10 1 1 A 36 36 ALA CB C 36 19.485 20.281 -0.796 1
1 432 . 10 1 1 A 36 36 ALA N N 36 124.605 122.240 2.365 1
1 433 . 10 1 1 A 37 37 ALA H H 37 8.199 9.075 -0.876 1
1 434 . 10 1 1 A 37 37 ALA HA H 37 4.491 4.468 0.023 1
1 438 . 10 1 1 A 37 37 ALA C C 37 177.456 177.123 0.333 1
1 439 . 10 1 1 A 37 37 ALA CA C 37 52.453 52.749 -0.296 1
1 440 . 10 1 1 A 37 37 ALA CB C 37 19.060 21.998 -2.938 1
1 441 . 10 1 1 A 37 37 ALA N N 37 123.695 120.461 3.234 1
1 442 . 10 1 1 A 38 38 LEU H H 38 8.099 8.301 -0.202 1
1 443 . 10 1 1 A 38 38 LEU HA H 38 4.243 4.316 -0.073 1
1 453 . 10 1 1 A 38 38 LEU C C 38 177.358 176.304 1.054 1
1 454 . 10 1 1 A 38 38 LEU CA C 38 55.218 53.667 1.551 1
1 455 . 10 1 1 A 38 38 LEU CB C 38 42.228 40.548 1.680 1
1 459 . 10 1 1 A 38 38 LEU N N 38 121.531 118.428 3.103 1
1 460 . 10 1 1 A 39 39 ILE H H 39 7.966 7.586 0.380 1
1 461 . 10 1 1 A 39 39 ILE HA H 39 4.136 4.383 -0.247 1
1 471 . 10 1 1 A 39 39 ILE C C 39 175.586 174.969 0.617 1
1 472 . 10 1 1 A 39 39 ILE CA C 39 60.873 61.081 -0.208 1
1 473 . 10 1 1 A 39 39 ILE CB C 39 38.727 35.690 3.037 1
1 477 . 10 1 1 A 39 39 ILE N N 39 121.669 122.632 -0.963 1
1 478 . 10 1 1 A 40 40 SER H H 40 8.101 8.242 -0.141 1
1 479 . 10 1 1 A 40 40 SER HA H 40 4.347 4.726 -0.379 1
1 482 . 10 1 1 A 40 40 SER C C 40 173.336 172.106 1.230 1
1 483 . 10 1 1 A 40 40 SER CA C 40 57.331 56.868 0.463 1
1 484 . 10 1 1 A 40 40 SER CB C 40 63.983 63.932 0.051 1
1 485 . 10 1 1 A 40 40 SER N N 40 119.591 121.741 -2.150 1
1 486 . 10 1 1 A 41 41 TYR H H 41 8.100 8.908 -0.808 1
1 487 . 10 1 1 A 41 41 TYR HA H 41 4.436 4.695 -0.259 1
1 494 . 10 1 1 A 41 41 TYR CA C 41 56.067 59.191 -3.124 1
1 495 . 10 1 1 A 41 41 TYR CB C 41 38.244 40.020 -1.776 1
1 496 . 10 1 1 A 41 41 TYR N N 41 122.744 122.472 0.272 1
1 497 . 10 1 1 A 42 42 PRO HA H 42 4.281 4.320 -0.039 1
1 504 . 10 1 1 A 42 42 PRO C C 42 176.765 177.013 -0.248 1
1 505 . 10 1 1 A 42 42 PRO CA C 42 63.650 64.323 -0.673 1
1 506 . 10 1 1 A 42 42 PRO CB C 42 30.513 31.650 -1.137 1
1 509 . 10 1 1 A 43 43 ASP H H 43 8.305 8.599 -0.294 1
1 510 . 10 1 1 A 43 43 ASP HA H 43 4.548 4.594 -0.046 1
1 513 . 10 1 1 A 43 43 ASP C C 43 175.135 178.458 -3.323 1
1 514 . 10 1 1 A 43 43 ASP CA C 43 53.570 54.444 -0.874 1
1 515 . 10 1 1 A 43 43 ASP CB C 43 38.450 40.754 -2.304 1
1 516 . 10 1 1 A 43 43 ASP N N 43 118.052 117.054 0.998 1
1 517 . 10 1 1 A 44 44 ALA H H 44 8.013 8.013 0.000 1
1 518 . 10 1 1 A 44 44 ALA HA H 44 4.106 4.124 -0.018 1
1 522 . 10 1 1 A 44 44 ALA C C 44 177.969 179.872 -1.903 1
1 523 . 10 1 1 A 44 44 ALA CA C 44 52.867 55.089 -2.222 1
1 524 . 10 1 1 A 44 44 ALA CB C 44 19.023 18.405 0.618 1
1 525 . 10 1 1 A 44 44 ALA N N 44 123.344 124.244 -0.900 1
1 526 . 10 1 1 A 45 45 ILE H H 45 7.860 8.108 -0.248 1
1 527 . 10 1 1 A 45 45 ILE HA H 45 3.855 4.186 -0.331 1
1 537 . 10 1 1 A 45 45 ILE C C 45 176.287 177.761 -1.474 1
1 538 . 10 1 1 A 45 45 ILE CA C 45 61.465 64.251 -2.786 1
1 539 . 10 1 1 A 45 45 ILE CB C 45 38.294 37.729 0.565 1
1 543 . 10 1 1 A 45 45 ILE N N 45 118.636 118.398 0.238 1
1 544 . 10 1 1 A 46 46 TRP H H 46 7.646 8.021 -0.375 1
1 545 . 10 1 1 A 46 46 TRP HA H 46 4.504 4.451 0.053 1
1 554 . 10 1 1 A 46 46 TRP C C 46 176.136 178.871 -2.735 1
1 555 . 10 1 1 A 46 46 TRP CA C 46 57.139 59.178 -2.039 1
1 556 . 10 1 1 A 46 46 TRP CB C 46 28.880 28.802 0.078 1
1 558 . 10 1 1 A 46 46 TRP N N 46 122.947 121.397 1.550 1
1 560 . 10 1 1 A 47 47 TRP H H 47 7.502 8.020 -0.518 1
1 561 . 10 1 1 A 47 47 TRP HA H 47 4.482 4.357 0.125 1
1 570 . 10 1 1 A 47 47 TRP C C 47 176.149 178.075 -1.926 1
1 571 . 10 1 1 A 47 47 TRP CA C 47 57.197 60.547 -3.350 1
1 572 . 10 1 1 A 47 47 TRP CB C 47 29.703 29.582 0.121 1
1 573 . 10 1 1 A 47 47 TRP N N 47 120.943 122.903 -1.960 1
1 575 . 10 1 1 A 48 48 SER H H 48 7.861 8.554 -0.693 1
1 576 . 10 1 1 A 48 48 SER HA H 48 4.258 3.878 0.380 1
1 579 . 10 1 1 A 48 48 SER C C 48 174.600 176.169 -1.569 1
1 580 . 10 1 1 A 48 48 SER CA C 48 57.844 61.910 -4.066 1
1 581 . 10 1 1 A 48 48 SER CB C 48 64.102 62.995 1.107 1
1 582 . 10 1 1 A 48 48 SER N N 48 116.339 116.121 0.218 1
1 583 . 10 1 1 A 49 49 VAL H H 49 7.921 7.979 -0.058 1
1 584 . 10 1 1 A 49 49 VAL HA H 49 3.990 3.449 0.541 1
1 592 . 10 1 1 A 49 49 VAL C C 49 176.402 177.952 -1.550 1
1 593 . 10 1 1 A 49 49 VAL CA C 49 62.909 66.953 -4.044 1
1 594 . 10 1 1 A 49 49 VAL CB C 49 32.467 31.335 1.132 1
1 597 . 10 1 1 A 49 49 VAL N N 49 121.079 121.448 -0.369 1
1 598 . 10 1 1 A 50 50 GLU H H 50 8.229 7.998 0.231 1
1 599 . 10 1 1 A 50 50 GLU HA H 50 4.307 4.025 0.282 1
1 604 . 10 1 1 A 50 50 GLU C C 50 176.506 178.188 -1.682 1
1 605 . 10 1 1 A 50 50 GLU CA C 50 57.040 58.819 -1.779 1
1 606 . 10 1 1 A 50 50 GLU CB C 50 30.123 29.549 0.574 1
1 608 . 10 1 1 A 50 50 GLU N N 50 122.433 120.675 1.758 1
1 609 . 10 1 1 A 51 51 THR H H 51 7.993 7.607 0.386 1
1 610 . 10 1 1 A 51 51 THR HA H 51 4.248 4.336 -0.088 1
1 615 . 10 1 1 A 51 51 THR C C 51 174.430 176.162 -1.732 1
1 616 . 10 1 1 A 51 51 THR CA C 51 62.227 63.776 -1.549 1
1 617 . 10 1 1 A 51 51 THR CB C 51 69.712 69.905 -0.193 1
1 619 . 10 1 1 A 51 51 THR N N 51 114.413 113.834 0.579 1
1 620 . 10 1 1 A 52 52 ALA H H 52 8.160 7.486 0.674 1
1 621 . 10 1 1 A 52 52 ALA HA H 52 4.212 4.103 0.109 1
1 625 . 10 1 1 A 52 52 ALA C C 52 177.976 178.895 -0.919 1
1 626 . 10 1 1 A 52 52 ALA CA C 52 53.069 54.154 -1.085 1
1 627 . 10 1 1 A 52 52 ALA CB C 52 19.178 18.210 0.968 1
1 628 . 10 1 1 A 52 52 ALA N N 52 125.641 123.234 2.407 1
1 629 . 10 1 1 A 53 53 THR H H 53 8.022 7.682 0.340 1
1 630 . 10 1 1 A 53 53 THR HA H 53 4.231 4.575 -0.344 1
1 635 . 10 1 1 A 53 53 THR C C 53 174.750 174.555 0.195 1
1 636 . 10 1 1 A 53 53 THR CA C 53 62.231 61.910 0.321 1
1 637 . 10 1 1 A 53 53 THR CB C 53 69.726 69.028 0.698 1
1 639 . 10 1 1 A 53 53 THR N N 53 112.100 108.208 3.892 1
1 640 . 10 1 1 A 54 54 THR H H 54 7.999 8.147 -0.148 1
1 641 . 10 1 1 A 54 54 THR HA H 54 4.303 3.997 0.306 1
1 646 . 10 1 1 A 54 54 THR C C 54 174.592 173.397 1.195 1
1 647 . 10 1 1 A 54 54 THR CA C 54 62.002 62.861 -0.859 1
1 648 . 10 1 1 A 54 54 THR CB C 54 69.793 66.419 3.374 1
1 650 . 10 1 1 A 54 54 THR N N 54 116.238 114.871 1.367 1
1 651 . 10 1 1 A 55 55 VAL H H 55 8.098 7.247 0.851 1
1 652 . 10 1 1 A 55 55 VAL HA H 55 4.017 4.724 -0.707 1
1 660 . 10 1 1 A 55 55 VAL C C 55 176.453 174.980 1.473 1
1 661 . 10 1 1 A 55 55 VAL CA C 55 62.650 61.069 1.581 1
1 662 . 10 1 1 A 55 55 VAL CB C 55 32.524 35.607 -3.083 1
1 665 . 10 1 1 A 55 55 VAL N N 55 122.445 120.404 2.041 1
1 666 . 10 1 1 A 56 56 GLY H H 56 8.308 8.329 -0.021 1
1 667 . 10 1 1 A 56 56 GLY HA2 H 56 3.839 4.231 -0.392 1
1 668 . 10 1 1 A 56 56 GLY HA3 H 56 4.019 4.242 -0.223 1
1 669 . 10 1 1 A 56 56 GLY C C 56 173.958 174.242 -0.284 1
1 670 . 10 1 1 A 56 56 GLY CA C 56 45.216 45.614 -0.398 1
1 671 . 10 1 1 A 56 56 GLY N N 56 112.118 110.191 1.927 1
1 672 . 10 1 1 A 57 57 TYR H H 57 8.051 8.836 -0.785 1
1 673 . 10 1 1 A 57 57 TYR HA H 57 4.402 4.453 -0.051 1
1 680 . 10 1 1 A 57 57 TYR C C 57 176.557 175.839 0.718 1
1 681 . 10 1 1 A 57 57 TYR CA C 57 58.251 59.119 -0.868 1
1 682 . 10 1 1 A 57 57 TYR CB C 57 38.935 38.875 0.060 1
1 683 . 10 1 1 A 57 57 TYR N N 57 120.259 122.431 -2.172 1
1 684 . 10 1 1 A 58 58 GLY H H 58 8.335 7.583 0.752 1
1 685 . 10 1 1 A 58 58 GLY HA2 H 58 3.801 3.718 0.083 1
1 686 . 10 1 1 A 58 58 GLY HA3 H 58 3.801 4.092 -0.291 1
1 687 . 10 1 1 A 58 58 GLY C C 58 173.911 174.620 -0.709 1
1 688 . 10 1 1 A 58 58 GLY CA C 58 45.311 45.184 0.127 1
1 689 . 10 1 1 A 58 58 GLY N N 58 110.220 107.881 2.339 1
1 690 . 10 1 1 A 59 59 ASP H H 59 8.161 7.531 0.630 1
1 691 . 10 1 1 A 59 59 ASP HA H 59 4.581 4.462 0.119 1
1 694 . 10 1 1 A 59 59 ASP C C 59 175.189 175.280 -0.091 1
1 695 . 10 1 1 A 59 59 ASP CA C 59 53.570 55.870 -2.300 1
1 696 . 10 1 1 A 59 59 ASP CB C 59 38.750 42.481 -3.731 1
1 697 . 10 1 1 A 59 59 ASP N N 59 118.765 121.408 -2.643 1
1 698 . 10 1 1 A 60 60 ARG H H 60 8.086 7.467 0.619 1
1 699 . 10 1 1 A 60 60 ARG HA H 60 4.152 4.580 -0.428 1
1 711 . 10 1 1 A 60 60 ARG C C 60 176.603 173.663 2.940 1
1 712 . 10 1 1 A 60 60 ARG CA C 60 56.825 53.972 2.853 1
1 713 . 10 1 1 A 60 60 ARG CB C 60 30.935 32.656 -1.721 1
1 716 . 10 1 1 A 60 60 ARG N N 60 120.762 117.827 2.935 1
1 718 . 10 1 1 A 61 61 TYR H H 61 8.117 8.520 -0.403 1
1 719 . 10 1 1 A 61 61 TYR HA H 61 4.488 4.951 -0.463 1
1 726 . 10 1 1 A 61 61 TYR CA C 61 56.688 55.132 1.556 1
1 727 . 10 1 1 A 61 61 TYR CB C 61 39.582 41.324 -1.742 1
1 728 . 10 1 1 A 61 61 TYR N N 61 121.714 119.339 2.375 1
1 729 . 10 1 1 A 62 62 PRO HA H 62 4.383 4.543 -0.160 1
1 736 . 10 1 1 A 62 62 PRO C C 62 177.441 176.191 1.250 1
1 737 . 10 1 1 A 62 62 PRO CA C 62 63.212 62.326 0.886 1
1 738 . 10 1 1 A 62 62 PRO CB C 62 31.939 33.204 -1.265 1
1 741 . 10 1 1 A 63 63 VAL H H 63 8.217 8.423 -0.206 1
1 742 . 10 1 1 A 63 63 VAL HA H 63 4.164 4.365 -0.201 1
1 750 . 10 1 1 A 63 63 VAL C C 63 176.576 176.401 0.175 1
1 751 . 10 1 1 A 63 63 VAL CA C 63 62.382 61.949 0.433 1
1 752 . 10 1 1 A 63 63 VAL CB C 63 32.862 32.424 0.438 1
1 755 . 10 1 1 A 63 63 VAL N N 63 120.316 119.613 0.703 1
1 756 . 10 1 1 A 64 64 THR H H 64 8.084 8.192 -0.108 1
1 757 . 10 1 1 A 64 64 THR HA H 64 4.313 4.611 -0.298 1
1 762 . 10 1 1 A 64 64 THR C C 64 174.558 174.922 -0.364 1
1 763 . 10 1 1 A 64 64 THR CA C 64 62.606 63.072 -0.466 1
1 764 . 10 1 1 A 64 64 THR CB C 64 70.496 70.833 -0.337 1
1 766 . 10 1 1 A 64 64 THR N N 64 116.779 117.682 -0.903 1
1 767 . 10 1 1 A 65 65 GLU H H 65 8.404 7.975 0.429 1
1 768 . 10 1 1 A 65 65 GLU HA H 65 4.314 4.282 0.032 1
1 773 . 10 1 1 A 65 65 GLU C C 65 175.016 177.572 -2.556 1
1 774 . 10 1 1 A 65 65 GLU CA C 65 57.750 56.567 1.183 1
1 775 . 10 1 1 A 65 65 GLU CB C 65 30.083 29.506 0.577 1
1 777 . 10 1 1 A 65 65 GLU N N 65 122.323 120.348 1.975 1
1 778 . 10 1 1 A 66 66 GLU H H 66 8.397 7.933 0.464 1
1 779 . 10 1 1 A 66 66 GLU HA H 66 4.224 4.487 -0.263 1
1 784 . 10 1 1 A 66 66 GLU C C 66 176.855 176.955 -0.100 1
1 785 . 10 1 1 A 66 66 GLU CA C 66 58.023 57.149 0.874 1
1 786 . 10 1 1 A 66 66 GLU CB C 66 29.857 30.378 -0.521 1
1 788 . 10 1 1 A 66 66 GLU N N 66 122.201 117.465 4.736 1
1 789 . 10 1 1 A 67 67 GLY H H 67 8.376 7.905 0.471 1
1 790 . 10 1 1 A 67 67 GLY HA2 H 67 3.834 4.016 -0.182 1
1 791 . 10 1 1 A 67 67 GLY HA3 H 67 3.834 4.019 -0.185 1
1 792 . 10 1 1 A 67 67 GLY C C 67 173.071 175.020 -1.949 1
1 793 . 10 1 1 A 67 67 GLY CA C 67 45.871 45.800 0.071 1
1 794 . 10 1 1 A 67 67 GLY N N 67 109.499 107.979 1.520 1
1 795 . 10 1 1 A 68 68 ARG H H 68 8.011 8.362 -0.351 1
1 796 . 10 1 1 A 68 68 ARG HA H 68 4.482 3.996 0.486 1
1 808 . 10 1 1 A 68 68 ARG C C 68 177.494 177.942 -0.448 1
1 809 . 10 1 1 A 68 68 ARG CA C 68 57.574 58.238 -0.664 1
1 810 . 10 1 1 A 68 68 ARG CB C 68 30.325 30.150 0.175 1
1 813 . 10 1 1 A 68 68 ARG N N 68 122.501 123.036 -0.535 1
1 815 . 10 1 1 A 69 69 LYS H H 69 7.986 8.212 -0.226 1
1 816 . 10 1 1 A 69 69 LYS HA H 69 4.150 4.044 0.106 1
1 825 . 10 1 1 A 69 69 LYS C C 69 178.168 179.135 -0.967 1
1 826 . 10 1 1 A 69 69 LYS CA C 69 57.781 58.864 -1.083 1
1 827 . 10 1 1 A 69 69 LYS CB C 69 32.705 32.292 0.413 1
1 831 . 10 1 1 A 69 69 LYS N N 69 120.934 118.332 2.602 1
1 832 . 10 1 1 A 70 70 VAL H H 70 7.848 8.485 -0.637 1
1 833 . 10 1 1 A 70 70 VAL HA H 70 4.088 3.581 0.507 1
1 841 . 10 1 1 A 70 70 VAL C C 70 175.998 178.021 -2.023 1
1 842 . 10 1 1 A 70 70 VAL CA C 70 64.206 66.414 -2.208 1
1 843 . 10 1 1 A 70 70 VAL CB C 70 31.873 31.689 0.184 1
1 846 . 10 1 1 A 70 70 VAL N N 70 120.324 120.155 0.169 1
1 847 . 10 1 1 A 71 71 ALA H H 71 8.300 8.175 0.125 1
1 848 . 10 1 1 A 71 71 ALA HA H 71 4.221 4.011 0.210 1
1 852 . 10 1 1 A 71 71 ALA C C 71 178.225 179.962 -1.737 1
1 853 . 10 1 1 A 71 71 ALA CA C 71 53.106 55.472 -2.366 1
1 854 . 10 1 1 A 71 71 ALA CB C 71 19.128 18.384 0.744 1
1 855 . 10 1 1 A 71 71 ALA N N 71 127.025 122.019 5.006 1
1 856 . 10 1 1 A 72 72 GLU H H 72 8.181 8.403 -0.222 1
1 857 . 10 1 1 A 72 72 GLU HA H 72 4.219 3.984 0.235 1
1 862 . 10 1 1 A 72 72 GLU C C 72 176.779 179.019 -2.240 1
1 863 . 10 1 1 A 72 72 GLU CA C 72 56.776 59.700 -2.924 1
1 864 . 10 1 1 A 72 72 GLU CB C 72 28.610 29.256 -0.646 1
1 866 . 10 1 1 A 72 72 GLU N N 72 123.008 118.004 5.004 1
1 867 . 10 1 1 A 73 73 GLN H H 73 8.132 7.972 0.160 1
1 868 . 10 1 1 A 73 73 GLN HA H 73 4.141 4.124 0.017 1
1 875 . 10 1 1 A 73 73 GLN C C 73 175.803 178.651 -2.848 1
1 876 . 10 1 1 A 73 73 GLN CA C 73 56.456 58.489 -2.033 1
1 877 . 10 1 1 A 73 73 GLN CB C 73 28.290 28.173 0.117 1
1 879 . 10 1 1 A 73 73 GLN N N 73 120.564 120.019 0.545 1
1 881 . 10 1 1 A 74 74 VAL H H 74 8.088 7.532 0.556 1
1 882 . 10 1 1 A 74 74 VAL HA H 74 3.986 3.442 0.544 1
1 890 . 10 1 1 A 74 74 VAL C C 74 176.167 177.725 -1.558 1
1 891 . 10 1 1 A 74 74 VAL CA C 74 63.123 66.295 -3.172 1
1 892 . 10 1 1 A 74 74 VAL CB C 74 30.082 31.337 -1.255 1
1 895 . 10 1 1 A 74 74 VAL N N 74 121.828 120.113 1.715 1
1 896 . 10 1 1 A 75 75 MET H H 75 8.167 7.888 0.279 1
1 897 . 10 1 1 A 75 75 MET HA H 75 4.093 3.975 0.118 1
1 903 . 10 1 1 A 75 75 MET C C 75 176.455 178.396 -1.941 1
1 904 . 10 1 1 A 75 75 MET N N 75 123.990 117.152 6.838 1
1 905 . 10 1 1 A 76 76 LYS H H 76 8.287 8.220 0.067 1
1 906 . 10 1 1 A 76 76 LYS HA H 76 4.234 3.992 0.242 1
1 915 . 10 1 1 A 76 76 LYS C C 76 176.220 178.421 -2.201 1
1 916 . 10 1 1 A 76 76 LYS CA C 76 56.765 58.752 -1.987 1
1 917 . 10 1 1 A 76 76 LYS CB C 76 33.055 32.302 0.753 1
1 921 . 10 1 1 A 76 76 LYS N N 76 122.725 119.990 2.735 1
1 922 . 10 1 1 A 77 77 ALA H H 77 8.308 8.407 -0.099 1
1 923 . 10 1 1 A 77 77 ALA HA H 77 4.213 3.977 0.236 1
1 927 . 10 1 1 A 77 77 ALA C C 77 178.097 179.872 -1.775 1
1 928 . 10 1 1 A 77 77 ALA CA C 77 52.740 55.000 -2.260 1
1 929 . 10 1 1 A 77 77 ALA CB C 77 19.427 18.356 1.071 1
1 930 . 10 1 1 A 77 77 ALA N N 77 125.316 121.935 3.381 1
1 931 . 10 1 1 A 78 78 GLY H H 78 8.284 8.134 0.150 1
1 932 . 10 1 1 A 78 78 GLY HA2 H 78 3.873 3.201 0.672 1
1 933 . 10 1 1 A 78 78 GLY HA3 H 78 3.873 3.401 0.472 1
1 934 . 10 1 1 A 78 78 GLY C C 78 174.065 175.136 -1.071 1
1 935 . 10 1 1 A 78 78 GLY CA C 78 45.497 47.081 -1.584 1
1 936 . 10 1 1 A 78 78 GLY N N 78 107.778 106.148 1.630 1
1 937 . 10 1 1 A 79 79 ILE H H 79 7.882 8.129 -0.247 1
1 938 . 10 1 1 A 79 79 ILE HA H 79 4.119 3.878 0.241 1
1 948 . 10 1 1 A 79 79 ILE C C 79 176.160 178.243 -2.083 1
1 949 . 10 1 1 A 79 79 ILE CA C 79 61.436 64.115 -2.679 1
1 950 . 10 1 1 A 79 79 ILE CB C 79 38.904 37.243 1.661 1
1 954 . 10 1 1 A 79 79 ILE N N 79 119.794 122.255 -2.461 1
1 955 . 10 1 1 A 80 80 GLU H H 80 8.354 8.075 0.279 1
1 956 . 10 1 1 A 80 80 GLU HA H 80 4.282 3.969 0.313 1
1 961 . 10 1 1 A 80 80 GLU C C 80 176.174 179.623 -3.449 1
1 962 . 10 1 1 A 80 80 GLU CA C 80 57.178 59.421 -2.243 1
1 963 . 10 1 1 A 80 80 GLU CB C 80 30.019 29.424 0.595 1
1 965 . 10 1 1 A 80 80 GLU N N 80 124.311 119.196 5.115 1
1 966 . 10 1 1 A 81 81 VAL H H 81 8.205 7.824 0.381 1
1 967 . 10 1 1 A 81 81 VAL HA H 81 3.985 3.525 0.460 1
1 975 . 10 1 1 A 81 81 VAL C C 81 175.815 177.986 -2.171 1
1 976 . 10 1 1 A 81 81 VAL CA C 81 62.865 66.446 -3.581 1
1 977 . 10 1 1 A 81 81 VAL CB C 81 32.629 31.583 1.046 1
1 980 . 10 1 1 A 81 81 VAL N N 81 121.106 120.712 0.394 1
1 981 . 10 1 1 A 82 82 PHE H H 82 8.252 8.072 0.180 1
1 982 . 10 1 1 A 82 82 PHE HA H 82 4.551 4.276 0.275 1
1 990 . 10 1 1 A 82 82 PHE C C 82 175.631 178.486 -2.855 1
1 991 . 10 1 1 A 82 82 PHE CA C 82 58.206 60.470 -2.264 1
1 992 . 10 1 1 A 82 82 PHE CB C 82 39.431 38.010 1.421 1
1 993 . 10 1 1 A 82 82 PHE N N 82 123.622 118.637 4.985 1
1 994 . 10 1 1 A 83 83 ALA H H 83 8.184 8.777 -0.593 1
1 995 . 10 1 1 A 83 83 ALA HA H 83 4.230 4.183 0.047 1
1 999 . 10 1 1 A 83 83 ALA C C 83 178.025 180.099 -2.074 1
1 1000 . 10 1 1 A 83 83 ALA CA C 83 52.731 55.171 -2.440 1
1 1001 . 10 1 1 A 83 83 ALA CB C 83 19.359 18.185 1.174 1
1 1002 . 10 1 1 A 83 83 ALA N N 83 125.081 123.116 1.965 1
1 1003 . 10 1 1 A 84 84 LEU H H 84 8.104 7.934 0.170 1
1 1004 . 10 1 1 A 84 84 LEU HA H 84 4.167 4.100 0.067 1
1 1014 . 10 1 1 A 84 84 LEU C C 84 176.390 178.915 -2.525 1
1 1015 . 10 1 1 A 84 84 LEU CA C 84 55.786 57.503 -1.717 1
1 1016 . 10 1 1 A 84 84 LEU CB C 84 42.179 41.360 0.819 1
1 1020 . 10 1 1 A 84 84 LEU N N 84 119.064 120.737 -1.673 1
1 1021 . 10 1 1 A 85 85 VAL H H 85 8.155 8.098 0.057 1
1 1022 . 10 1 1 A 85 85 VAL HA H 85 4.073 3.769 0.304 1
1 1030 . 10 1 1 A 85 85 VAL C C 85 176.521 178.373 -1.852 1
1 1031 . 10 1 1 A 85 85 VAL CA C 85 62.762 65.972 -3.210 1
1 1032 . 10 1 1 A 85 85 VAL CB C 85 32.498 31.488 1.010 1
1 1035 . 10 1 1 A 85 85 VAL N N 85 121.743 118.493 3.250 1
1 1036 . 10 1 1 A 86 86 THR H H 86 8.052 7.765 0.287 1
1 1037 . 10 1 1 A 86 86 THR HA H 86 4.141 3.977 0.164 1
1 1042 . 10 1 1 A 86 86 THR C C 86 174.706 176.193 -1.487 1
1 1043 . 10 1 1 A 86 86 THR CA C 86 62.351 66.397 -4.046 1
1 1044 . 10 1 1 A 86 86 THR CB C 86 69.618 68.517 1.101 1
1 1046 . 10 1 1 A 86 86 THR N N 86 117.693 115.654 2.039 1
1 1047 . 10 1 1 A 87 87 ALA H H 87 8.216 8.419 -0.203 1
1 1048 . 10 1 1 A 87 87 ALA HA H 87 4.170 3.988 0.182 1
1 1052 . 10 1 1 A 87 87 ALA C C 87 178.003 179.426 -1.423 1
1 1053 . 10 1 1 A 87 87 ALA CA C 87 52.967 55.135 -2.168 1
1 1054 . 10 1 1 A 87 87 ALA CB C 87 18.326 18.071 0.255 1
1 1055 . 10 1 1 A 87 87 ALA N N 87 126.174 123.418 2.756 1
1 1056 . 10 1 1 A 88 88 ALA H H 88 8.129 8.010 0.119 1
1 1057 . 10 1 1 A 88 88 ALA HA H 88 4.147 4.614 -0.467 1
1 1061 . 10 1 1 A 88 88 ALA C C 88 178.246 179.398 -1.152 1
1 1062 . 10 1 1 A 88 88 ALA CA C 88 52.961 54.623 -1.662 1
1 1063 . 10 1 1 A 88 88 ALA CB C 88 19.290 19.197 0.093 1
1 1064 . 10 1 1 A 88 88 ALA N N 88 122.649 119.831 2.818 1
1 1065 . 10 1 1 A 89 89 LEU H H 89 7.992 8.133 -0.141 1
1 1066 . 10 1 1 A 89 89 LEU HA H 89 4.153 3.989 0.164 1
1 1076 . 10 1 1 A 89 89 LEU C C 89 176.375 179.209 -2.834 1
1 1077 . 10 1 1 A 89 89 LEU CA C 89 57.099 58.116 -1.017 1
1 1078 . 10 1 1 A 89 89 LEU CB C 89 42.055 41.675 0.380 1
1 1082 . 10 1 1 A 89 89 LEU N N 89 120.616 118.904 1.712 1
1 1083 . 10 1 1 A 90 90 ALA H H 90 8.168 7.954 0.214 1
1 1084 . 10 1 1 A 90 90 ALA HA H 90 4.218 4.115 0.103 1
1 1088 . 10 1 1 A 90 90 ALA C C 90 178.487 179.958 -1.471 1
1 1089 . 10 1 1 A 90 90 ALA CA C 90 53.043 55.344 -2.301 1
1 1090 . 10 1 1 A 90 90 ALA CB C 90 19.269 18.638 0.631 1
1 1091 . 10 1 1 A 90 90 ALA N N 90 124.243 121.736 2.507 1
1 1092 . 10 1 1 A 91 91 THR H H 91 7.988 8.051 -0.063 1
1 1093 . 10 1 1 A 91 91 THR HA H 91 4.181 4.091 0.090 1
1 1098 . 10 1 1 A 91 91 THR C C 91 174.931 176.218 -1.287 1
1 1099 . 10 1 1 A 91 91 THR CA C 91 62.190 64.349 -2.159 1
1 1100 . 10 1 1 A 91 91 THR CB C 91 69.198 68.283 0.915 1
1 1102 . 10 1 1 A 91 91 THR N N 91 112.659 111.385 1.274 1
1 1103 . 10 1 1 A 92 92 ASP H H 92 8.254 7.709 0.545 1
1 1104 . 10 1 1 A 92 92 ASP HA H 92 4.541 4.211 0.330 1
1 1107 . 10 1 1 A 92 92 ASP C C 92 175.823 178.060 -2.237 1
1 1108 . 10 1 1 A 92 92 ASP CA C 92 53.570 56.489 -2.919 1
1 1109 . 10 1 1 A 92 92 ASP CB C 92 38.750 40.869 -2.119 1
1 1110 . 10 1 1 A 92 92 ASP N N 92 120.688 122.708 -2.020 1
1 1111 . 10 1 1 A 93 93 PHE H H 93 8.048 7.797 0.251 1
1 1112 . 10 1 1 A 93 93 PHE HA H 93 4.547 4.530 0.017 1
1 1120 . 10 1 1 A 93 93 PHE C C 93 176.384 177.023 -0.639 1
1 1121 . 10 1 1 A 93 93 PHE CA C 93 58.633 58.606 0.027 1
1 1122 . 10 1 1 A 93 93 PHE CB C 93 39.451 38.510 0.941 1
1 1123 . 10 1 1 A 93 93 PHE N N 93 120.763 116.517 4.246 1
1 1124 . 10 1 1 A 94 94 VAL H H 94 7.904 7.739 0.165 1
1 1125 . 10 1 1 A 94 94 VAL HA H 94 4.364 3.618 0.746 1
1 1133 . 10 1 1 A 94 94 VAL C C 94 176.851 178.007 -1.156 1
1 1134 . 10 1 1 A 94 94 VAL CA C 94 63.297 66.372 -3.075 1
1 1135 . 10 1 1 A 94 94 VAL CB C 94 29.241 31.403 -2.162 1
1 1138 . 10 1 1 A 94 94 VAL N N 94 121.478 120.066 1.412 1
1 1139 . 10 1 1 A 95 95 ARG H H 95 8.146 7.841 0.305 1
1 1140 . 10 1 1 A 95 95 ARG HA H 95 4.134 4.121 0.013 1
1 1152 . 10 1 1 A 95 95 ARG C C 95 177.395 178.863 -1.468 1
1 1153 . 10 1 1 A 95 95 ARG CA C 95 55.978 59.136 -3.158 1
1 1154 . 10 1 1 A 95 95 ARG CB C 95 31.070 29.849 1.221 1
1 1157 . 10 1 1 A 95 95 ARG N N 95 122.920 119.737 3.183 1
1 1159 . 10 1 1 A 96 96 ARG H H 96 8.313 7.963 0.350 1
1 1160 . 10 1 1 A 96 96 ARG HA H 96 4.180 4.107 0.073 1
1 1172 . 10 1 1 A 96 96 ARG C C 96 176.839 178.377 -1.538 1
1 1173 . 10 1 1 A 96 96 ARG CA C 96 56.831 59.043 -2.212 1
1 1174 . 10 1 1 A 96 96 ARG CB C 96 30.952 30.084 0.868 1
1 1177 . 10 1 1 A 96 96 ARG N N 96 121.064 118.231 2.833 1
1 1179 . 10 1 1 A 97 97 GLU H H 97 8.356 7.866 0.490 1
1 1180 . 10 1 1 A 97 97 GLU HA H 97 4.220 4.066 0.154 1
1 1185 . 10 1 1 A 97 97 GLU C C 97 176.319 179.513 -3.194 1
1 1186 . 10 1 1 A 97 97 GLU CA C 97 57.408 59.174 -1.766 1
1 1187 . 10 1 1 A 97 97 GLU CB C 97 28.610 29.422 -0.812 1
1 1189 . 10 1 1 A 97 97 GLU N N 97 121.754 119.679 2.075 1
1 1190 . 10 1 1 A 98 98 GLU H H 98 8.328 8.349 -0.021 1
1 1191 . 10 1 1 A 98 98 GLU HA H 98 4.240 4.134 0.106 1
1 1196 . 10 1 1 A 98 98 GLU C C 98 176.132 178.812 -2.680 1
1 1197 . 10 1 1 A 98 98 GLU CA C 98 57.666 59.077 -1.411 1
1 1198 . 10 1 1 A 98 98 GLU CB C 98 30.045 28.974 1.071 1
1 1200 . 10 1 1 A 98 98 GLU N N 98 121.414 119.247 2.167 1
1 1201 . 10 1 1 A 99 99 GLU H H 99 8.418 8.672 -0.254 1
1 1202 . 10 1 1 A 99 99 GLU HA H 99 4.299 4.235 0.064 1
1 1207 . 10 1 1 A 99 99 GLU C C 99 177.021 179.472 -2.451 1
1 1208 . 10 1 1 A 99 99 GLU CA C 99 57.397 58.928 -1.531 1
1 1209 . 10 1 1 A 99 99 GLU CB C 99 30.309 29.099 1.210 1
1 1211 . 10 1 1 A 99 99 GLU N N 99 121.312 120.289 1.023 1
1 1212 . 10 1 1 A 100 100 ARG H H 100 8.013 7.494 0.519 1
1 1213 . 10 1 1 A 100 100 ARG HA H 100 4.180 4.198 -0.018 1
1 1225 . 10 1 1 A 100 100 ARG C C 100 176.313 176.282 0.031 1
1 1226 . 10 1 1 A 100 100 ARG CA C 100 57.238 58.484 -1.246 1
1 1227 . 10 1 1 A 100 100 ARG CB C 100 30.298 31.343 -1.045 1
1 1230 . 10 1 1 A 100 100 ARG N N 100 121.871 119.625 2.246 1
1 1232 . 10 1 1 A 101 101 ARG H H 101 8.260 8.038 0.222 1
1 1233 . 10 1 1 A 101 101 ARG HA H 101 4.260 4.623 -0.363 1
1 1245 . 10 1 1 A 101 101 ARG C C 101 176.753 176.166 0.587 1
1 1246 . 10 1 1 A 101 101 ARG CA C 101 56.492 54.934 1.558 1
1 1247 . 10 1 1 A 101 101 ARG CB C 101 30.838 31.743 -0.905 1
1 1250 . 10 1 1 A 101 101 ARG N N 101 122.019 117.151 4.868 1
1 1252 . 10 1 1 A 102 102 GLY H H 102 8.380 8.119 0.261 1
1 1253 . 10 1 1 A 102 102 GLY HA2 H 102 3.849 3.869 -0.020 1
1 1254 . 10 1 1 A 102 102 GLY HA3 H 102 3.849 3.930 -0.081 1
1 1255 . 10 1 1 A 102 102 GLY C C 102 173.145 174.780 -1.635 1
1 1256 . 10 1 1 A 102 102 GLY CA C 102 45.401 45.301 0.100 1
1 1257 . 10 1 1 A 102 102 GLY N N 102 110.110 113.660 -3.550 1
1 9 . 11 1 1 A 2 2 ALA H H 2 8.742 8.340 0.402 1
1 10 . 11 1 1 A 2 2 ALA HA H 2 4.302 4.393 -0.091 1
1 14 . 11 1 1 A 2 2 ALA C C 2 177.216 177.537 -0.321 1
1 15 . 11 1 1 A 2 2 ALA CA C 2 52.876 51.725 1.151 1
1 16 . 11 1 1 A 2 2 ALA CB C 2 19.182 19.999 -0.817 1
1 17 . 11 1 1 A 2 2 ALA N N 2 124.657 125.282 -0.625 1
1 18 . 11 1 1 A 3 3 ASP H H 3 8.432 8.833 -0.401 1
1 19 . 11 1 1 A 3 3 ASP HA H 3 4.530 4.271 0.259 1
1 22 . 11 1 1 A 3 3 ASP C C 3 176.023 178.643 -2.620 1
1 23 . 11 1 1 A 3 3 ASP CA C 3 53.721 57.777 -4.056 1
1 24 . 11 1 1 A 3 3 ASP CB C 3 38.752 40.215 -1.463 1
1 25 . 11 1 1 A 3 3 ASP N N 3 118.729 118.730 -0.001 1
1 26 . 11 1 1 A 4 4 HIS H H 4 8.549 8.074 0.475 1
1 27 . 11 1 1 A 4 4 HIS HA H 4 4.568 4.484 0.084 1
1 32 . 11 1 1 A 4 4 HIS C C 4 175.101 176.924 -1.823 1
1 33 . 11 1 1 A 4 4 HIS CA C 4 56.640 58.005 -1.365 1
1 34 . 11 1 1 A 4 4 HIS CB C 4 28.961 28.457 0.504 1
1 37 . 11 1 1 A 4 4 HIS N N 4 119.650 116.284 3.366 1
1 38 . 11 1 1 A 5 5 GLU H H 5 8.330 7.788 0.542 1
1 39 . 11 1 1 A 5 5 GLU HA H 5 4.207 4.027 0.180 1
1 44 . 11 1 1 A 5 5 GLU C C 5 175.749 178.880 -3.131 1
1 45 . 11 1 1 A 5 5 GLU CA C 5 56.594 58.906 -2.312 1
1 46 . 11 1 1 A 5 5 GLU CB C 5 29.285 29.036 0.249 1
1 48 . 11 1 1 A 5 5 GLU N N 5 120.937 121.237 -0.300 1
1 49 . 11 1 1 A 6 6 ARG H H 6 8.325 7.939 0.386 1
1 50 . 11 1 1 A 6 6 ARG HA H 6 4.571 4.099 0.472 1
1 62 . 11 1 1 A 6 6 ARG C C 6 177.578 179.145 -1.567 1
1 63 . 11 1 1 A 6 6 ARG CA C 6 56.716 59.506 -2.790 1
1 64 . 11 1 1 A 6 6 ARG CB C 6 30.744 29.938 0.806 1
1 67 . 11 1 1 A 6 6 ARG N N 6 120.267 120.303 -0.036 1
1 69 . 11 1 1 A 7 7 GLU H H 7 8.136 7.940 0.196 1
1 70 . 11 1 1 A 7 7 GLU HA H 7 4.165 4.016 0.149 1
1 75 . 11 1 1 A 7 7 GLU C C 7 177.156 179.100 -1.944 1
1 76 . 11 1 1 A 7 7 GLU CA C 7 57.125 59.277 -2.152 1
1 77 . 11 1 1 A 7 7 GLU CB C 7 30.149 29.050 1.099 1
1 79 . 11 1 1 A 7 7 GLU N N 7 121.008 118.621 2.387 1
1 80 . 11 1 1 A 8 8 ALA H H 8 8.325 7.795 0.530 1
1 81 . 11 1 1 A 8 8 ALA HA H 8 4.212 4.103 0.109 1
1 85 . 11 1 1 A 8 8 ALA C C 8 178.913 179.809 -0.896 1
1 86 . 11 1 1 A 8 8 ALA CA C 8 52.832 54.971 -2.139 1
1 87 . 11 1 1 A 8 8 ALA CB C 8 18.909 18.329 0.580 1
1 88 . 11 1 1 A 8 8 ALA N N 8 124.538 122.603 1.935 1
1 89 . 11 1 1 A 9 9 GLN H H 9 8.159 7.895 0.264 1
1 90 . 11 1 1 A 9 9 GLN HA H 9 4.140 3.958 0.182 1
1 97 . 11 1 1 A 9 9 GLN C C 9 175.771 178.128 -2.357 1
1 98 . 11 1 1 A 9 9 GLN CA C 9 57.655 59.260 -1.605 1
1 99 . 11 1 1 A 9 9 GLN CB C 9 28.606 28.413 0.193 1
1 101 . 11 1 1 A 9 9 GLN N N 9 124.103 117.998 6.105 1
1 103 . 11 1 1 A 10 10 LYS H H 10 8.148 7.681 0.467 1
1 104 . 11 1 1 A 10 10 LYS HA H 10 4.204 4.009 0.195 1
1 113 . 11 1 1 A 10 10 LYS C C 10 177.798 179.006 -1.208 1
1 114 . 11 1 1 A 10 10 LYS CA C 10 57.139 59.168 -2.029 1
1 115 . 11 1 1 A 10 10 LYS CB C 10 33.040 32.084 0.956 1
1 119 . 11 1 1 A 10 10 LYS N N 10 120.635 119.088 1.547 1
1 120 . 11 1 1 A 11 11 ALA H H 11 8.148 8.006 0.142 1
1 121 . 11 1 1 A 11 11 ALA HA H 11 4.140 4.020 0.120 1
1 125 . 11 1 1 A 11 11 ALA C C 11 178.173 180.049 -1.876 1
1 126 . 11 1 1 A 11 11 ALA CA C 11 53.351 55.048 -1.697 1
1 127 . 11 1 1 A 11 11 ALA CB C 11 19.128 18.443 0.685 1
1 128 . 11 1 1 A 11 11 ALA N N 11 123.171 121.935 1.236 1
1 129 . 11 1 1 A 12 12 GLU H H 12 8.248 7.810 0.438 1
1 130 . 11 1 1 A 12 12 GLU HA H 12 4.222 3.911 0.311 1
1 135 . 11 1 1 A 12 12 GLU C C 12 176.385 179.416 -3.031 1
1 136 . 11 1 1 A 12 12 GLU CA C 12 57.442 59.608 -2.166 1
1 137 . 11 1 1 A 12 12 GLU CB C 12 30.001 29.257 0.744 1
1 139 . 11 1 1 A 12 12 GLU N N 12 119.451 117.930 1.521 1
1 140 . 11 1 1 A 13 13 GLU H H 13 8.372 7.775 0.597 1
1 141 . 11 1 1 A 13 13 GLU HA H 13 4.265 4.143 0.122 1
1 146 . 11 1 1 A 13 13 GLU C C 13 178.060 179.809 -1.749 1
1 147 . 11 1 1 A 13 13 GLU CA C 13 56.828 59.034 -2.206 1
1 148 . 11 1 1 A 13 13 GLU CB C 13 30.082 29.185 0.897 1
1 150 . 11 1 1 A 13 13 GLU N N 13 121.080 119.802 1.278 1
1 151 . 11 1 1 A 14 14 GLU H H 14 8.152 8.225 -0.073 1
1 152 . 11 1 1 A 14 14 GLU HA H 14 4.142 4.043 0.099 1
1 157 . 11 1 1 A 14 14 GLU C C 14 176.274 178.543 -2.269 1
1 158 . 11 1 1 A 14 14 GLU CA C 14 56.892 59.053 -2.161 1
1 159 . 11 1 1 A 14 14 GLU CB C 14 28.169 29.261 -1.092 1
1 161 . 11 1 1 A 14 14 GLU N N 14 120.236 119.886 0.350 1
1 162 . 11 1 1 A 15 15 LEU H H 15 8.301 7.642 0.659 1
1 163 . 11 1 1 A 15 15 LEU HA H 15 4.224 4.037 0.187 1
1 173 . 11 1 1 A 15 15 LEU C C 15 177.983 178.800 -0.817 1
1 174 . 11 1 1 A 15 15 LEU CA C 15 56.344 57.628 -1.284 1
1 175 . 11 1 1 A 15 15 LEU CB C 15 42.250 41.464 0.786 1
1 179 . 11 1 1 A 15 15 LEU N N 15 123.072 120.853 2.219 1
1 180 . 11 1 1 A 16 16 GLN H H 16 8.132 7.761 0.371 1
1 181 . 11 1 1 A 16 16 GLN HA H 16 4.145 4.086 0.059 1
1 188 . 11 1 1 A 16 16 GLN C C 16 177.674 178.930 -1.256 1
1 189 . 11 1 1 A 16 16 GLN CA C 16 57.971 59.120 -1.149 1
1 190 . 11 1 1 A 16 16 GLN CB C 16 29.889 28.102 1.787 1
1 192 . 11 1 1 A 16 16 GLN N N 16 119.160 117.782 1.378 1
1 194 . 11 1 1 A 17 17 LYS H H 17 8.214 7.511 0.703 1
1 195 . 11 1 1 A 17 17 LYS HA H 17 4.140 4.189 -0.049 1
1 204 . 11 1 1 A 17 17 LYS C C 17 177.646 179.086 -1.440 1
1 205 . 11 1 1 A 17 17 LYS CA C 17 57.115 58.892 -1.777 1
1 206 . 11 1 1 A 17 17 LYS CB C 17 32.833 32.292 0.541 1
1 210 . 11 1 1 A 17 17 LYS N N 17 120.310 121.245 -0.935 1
1 211 . 11 1 1 A 18 18 VAL H H 18 7.871 7.430 0.441 1
1 212 . 11 1 1 A 18 18 VAL HA H 18 4.108 3.566 0.542 1
1 220 . 11 1 1 A 18 18 VAL C C 18 177.476 178.144 -0.668 1
1 221 . 11 1 1 A 18 18 VAL CA C 18 63.634 66.361 -2.727 1
1 222 . 11 1 1 A 18 18 VAL CB C 18 31.886 31.486 0.400 1
1 225 . 11 1 1 A 18 18 VAL N N 18 120.571 120.479 0.092 1
1 226 . 11 1 1 A 19 19 LEU H H 19 8.180 8.192 -0.012 1
1 227 . 11 1 1 A 19 19 LEU HA H 19 4.042 3.870 0.172 1
1 237 . 11 1 1 A 19 19 LEU C C 19 179.462 179.629 -0.167 1
1 238 . 11 1 1 A 19 19 LEU CA C 19 57.653 58.179 -0.526 1
1 239 . 11 1 1 A 19 19 LEU CB C 19 41.800 41.150 0.650 1
1 243 . 11 1 1 A 19 19 LEU N N 19 122.936 121.124 1.812 1
1 244 . 11 1 1 A 20 20 GLU H H 20 8.122 7.900 0.222 1
1 245 . 11 1 1 A 20 20 GLU HA H 20 4.156 3.998 0.158 1
1 250 . 11 1 1 A 20 20 GLU C C 20 178.001 179.647 -1.646 1
1 251 . 11 1 1 A 20 20 GLU CA C 20 58.045 60.006 -1.961 1
1 252 . 11 1 1 A 20 20 GLU CB C 20 30.092 29.226 0.866 1
1 254 . 11 1 1 A 20 20 GLU N N 20 118.745 118.614 0.131 1
1 255 . 11 1 1 A 21 21 GLU H H 21 8.190 7.652 0.538 1
1 256 . 11 1 1 A 21 21 GLU HA H 21 4.144 4.093 0.051 1
1 261 . 11 1 1 A 21 21 GLU C C 21 177.290 179.301 -2.011 1
1 262 . 11 1 1 A 21 21 GLU CA C 21 58.109 59.058 -0.949 1
1 263 . 11 1 1 A 21 21 GLU CB C 21 29.868 29.323 0.545 1
1 265 . 11 1 1 A 21 21 GLU N N 21 119.542 121.497 -1.955 1
1 266 . 11 1 1 A 22 22 ALA H H 22 8.092 8.448 -0.356 1
1 267 . 11 1 1 A 22 22 ALA HA H 22 4.173 4.089 0.084 1
1 271 . 11 1 1 A 22 22 ALA C C 22 179.020 179.386 -0.366 1
1 272 . 11 1 1 A 22 22 ALA CA C 22 53.944 55.339 -1.395 1
1 273 . 11 1 1 A 22 22 ALA CB C 22 18.578 18.150 0.428 1
1 274 . 11 1 1 A 22 22 ALA N N 22 123.378 123.441 -0.063 1
1 275 . 11 1 1 A 23 23 SER H H 23 8.079 7.908 0.171 1
1 276 . 11 1 1 A 23 23 SER HA H 23 4.300 4.051 0.249 1
1 279 . 11 1 1 A 23 23 SER C C 23 173.125 175.889 -2.764 1
1 280 . 11 1 1 A 23 23 SER CA C 23 59.414 61.289 -1.875 1
1 281 . 11 1 1 A 23 23 SER CB C 23 63.520 62.635 0.885 1
1 282 . 11 1 1 A 23 23 SER N N 23 114.637 113.370 1.267 1
1 283 . 11 1 1 A 24 24 LYS H H 24 8.032 7.498 0.534 1
1 284 . 11 1 1 A 24 24 LYS HA H 24 4.325 4.147 0.178 1
1 293 . 11 1 1 A 24 24 LYS C C 24 175.423 179.114 -3.691 1
1 294 . 11 1 1 A 24 24 LYS CA C 24 57.273 59.541 -2.268 1
1 295 . 11 1 1 A 24 24 LYS CB C 24 31.200 32.336 -1.136 1
1 299 . 11 1 1 A 24 24 LYS N N 24 122.635 121.350 1.285 1
1 300 . 11 1 1 A 25 25 LYS H H 25 8.042 8.152 -0.110 1
1 301 . 11 1 1 A 25 25 LYS HA H 25 4.169 4.058 0.111 1
1 310 . 11 1 1 A 25 25 LYS C C 25 177.025 179.044 -2.019 1
1 311 . 11 1 1 A 25 25 LYS CA C 25 56.876 59.328 -2.452 1
1 312 . 11 1 1 A 25 25 LYS CB C 25 31.200 32.345 -1.145 1
1 316 . 11 1 1 A 25 25 LYS N N 25 121.079 119.353 1.726 1
1 317 . 11 1 1 A 26 26 ALA H H 26 8.103 8.356 -0.253 1
1 318 . 11 1 1 A 26 26 ALA HA H 26 4.196 4.092 0.104 1
1 322 . 11 1 1 A 26 26 ALA C C 26 178.418 179.644 -1.226 1
1 323 . 11 1 1 A 26 26 ALA CA C 26 53.049 55.075 -2.026 1
1 324 . 11 1 1 A 26 26 ALA CB C 26 19.055 18.512 0.543 1
1 325 . 11 1 1 A 26 26 ALA N N 26 124.589 122.676 1.913 1
1 326 . 11 1 1 A 27 27 VAL H H 27 8.030 7.954 0.076 1
1 327 . 11 1 1 A 27 27 VAL HA H 27 3.945 3.387 0.558 1
1 335 . 11 1 1 A 27 27 VAL C C 27 179.177 177.458 1.719 1
1 336 . 11 1 1 A 27 27 VAL CA C 27 63.001 66.966 -3.965 1
1 337 . 11 1 1 A 27 27 VAL CB C 27 32.449 31.394 1.055 1
1 340 . 11 1 1 A 27 27 VAL N N 27 119.340 118.562 0.778 1
1 341 . 11 1 1 A 28 28 GLU H H 28 8.187 7.884 0.303 1
1 342 . 11 1 1 A 28 28 GLU HA H 28 4.166 4.261 -0.095 1
1 347 . 11 1 1 A 28 28 GLU C C 28 176.411 178.029 -1.618 1
1 348 . 11 1 1 A 28 28 GLU CA C 28 57.290 57.573 -0.283 1
1 349 . 11 1 1 A 28 28 GLU CB C 28 30.025 29.556 0.469 1
1 351 . 11 1 1 A 28 28 GLU N N 28 120.351 117.999 2.352 1
1 352 . 11 1 1 A 29 29 ALA H H 29 8.173 7.825 0.348 1
1 353 . 11 1 1 A 29 29 ALA HA H 29 4.230 4.162 0.068 1
1 357 . 11 1 1 A 29 29 ALA C C 29 176.924 179.618 -2.694 1
1 358 . 11 1 1 A 29 29 ALA CA C 29 53.338 55.142 -1.804 1
1 359 . 11 1 1 A 29 29 ALA CB C 29 18.964 18.292 0.672 1
1 360 . 11 1 1 A 29 29 ALA N N 29 124.463 122.110 2.353 1
1 361 . 11 1 1 A 30 30 GLU H H 30 8.239 7.794 0.445 1
1 362 . 11 1 1 A 30 30 GLU HA H 30 4.251 4.074 0.177 1
1 367 . 11 1 1 A 30 30 GLU C C 30 175.016 177.348 -2.332 1
1 368 . 11 1 1 A 30 30 GLU CA C 30 58.033 59.075 -1.042 1
1 369 . 11 1 1 A 30 30 GLU CB C 30 29.996 29.509 0.487 1
1 371 . 11 1 1 A 30 30 GLU N N 30 122.971 119.439 3.532 1
1 372 . 11 1 1 A 31 31 ARG H H 31 8.261 7.397 0.864 1
1 373 . 11 1 1 A 31 31 ARG HA H 31 4.255 4.245 0.010 1
1 385 . 11 1 1 A 31 31 ARG C C 31 176.727 177.074 -0.347 1
1 386 . 11 1 1 A 31 31 ARG CA C 31 56.565 57.023 -0.458 1
1 387 . 11 1 1 A 31 31 ARG CB C 31 30.783 28.719 2.064 1
1 390 . 11 1 1 A 31 31 ARG N N 31 121.894 117.753 4.141 1
1 392 . 11 1 1 A 32 32 GLY H H 32 8.302 8.350 -0.048 1
1 393 . 11 1 1 A 32 32 GLY HA2 H 32 3.852 4.043 -0.191 1
1 394 . 11 1 1 A 32 32 GLY HA3 H 32 3.852 4.044 -0.192 1
1 395 . 11 1 1 A 32 32 GLY C C 32 173.994 174.550 -0.556 1
1 396 . 11 1 1 A 32 32 GLY CA C 32 45.077 45.336 -0.259 1
1 397 . 11 1 1 A 32 32 GLY N N 32 109.773 112.755 -2.982 1
1 398 . 11 1 1 A 33 33 ALA H H 33 8.011 7.513 0.498 1
1 399 . 11 1 1 A 33 33 ALA HA H 33 4.212 4.687 -0.475 1
1 403 . 11 1 1 A 33 33 ALA CA C 33 50.522 49.941 0.581 1
1 404 . 11 1 1 A 33 33 ALA CB C 33 18.962 20.072 -1.110 1
1 405 . 11 1 1 A 33 33 ALA N N 33 123.601 124.320 -0.719 1
1 406 . 11 1 1 A 34 34 PRO HA H 34 4.352 4.335 0.017 1
1 413 . 11 1 1 A 34 34 PRO C C 34 177.746 177.504 0.242 1
1 414 . 11 1 1 A 34 34 PRO CA C 34 63.520 63.726 -0.206 1
1 415 . 11 1 1 A 34 34 PRO CB C 34 31.938 31.487 0.451 1
1 418 . 11 1 1 A 35 35 GLY H H 35 8.433 8.909 -0.476 1
1 419 . 11 1 1 A 35 35 GLY HA2 H 35 3.848 3.930 -0.082 1
1 420 . 11 1 1 A 35 35 GLY HA3 H 35 3.848 3.935 -0.087 1
1 421 . 11 1 1 A 35 35 GLY C C 35 173.266 174.744 -1.478 1
1 422 . 11 1 1 A 35 35 GLY CA C 35 45.405 45.368 0.037 1
1 423 . 11 1 1 A 35 35 GLY N N 35 109.298 112.466 -3.168 1
1 424 . 11 1 1 A 36 36 ALA H H 36 8.095 7.935 0.160 1
1 425 . 11 1 1 A 36 36 ALA HA H 36 4.196 4.247 -0.051 1
1 429 . 11 1 1 A 36 36 ALA C C 36 177.944 176.760 1.184 1
1 430 . 11 1 1 A 36 36 ALA CA C 36 52.551 52.501 0.050 1
1 431 . 11 1 1 A 36 36 ALA CB C 36 19.485 19.347 0.138 1
1 432 . 11 1 1 A 36 36 ALA N N 36 124.605 122.698 1.907 1
1 433 . 11 1 1 A 37 37 ALA H H 37 8.199 9.158 -0.959 1
1 434 . 11 1 1 A 37 37 ALA HA H 37 4.491 4.297 0.194 1
1 438 . 11 1 1 A 37 37 ALA C C 37 177.456 176.445 1.011 1
1 439 . 11 1 1 A 37 37 ALA CA C 37 52.453 52.994 -0.541 1
1 440 . 11 1 1 A 37 37 ALA CB C 37 19.060 20.421 -1.361 1
1 441 . 11 1 1 A 37 37 ALA N N 37 123.695 123.801 -0.106 1
1 442 . 11 1 1 A 38 38 LEU H H 38 8.099 7.476 0.623 1
1 443 . 11 1 1 A 38 38 LEU HA H 38 4.243 4.175 0.068 1
1 453 . 11 1 1 A 38 38 LEU C C 38 177.358 176.509 0.849 1
1 454 . 11 1 1 A 38 38 LEU CA C 38 55.218 54.010 1.208 1
1 455 . 11 1 1 A 38 38 LEU CB C 38 42.228 41.560 0.668 1
1 459 . 11 1 1 A 38 38 LEU N N 38 121.531 117.895 3.636 1
1 460 . 11 1 1 A 39 39 ILE H H 39 7.966 8.541 -0.575 1
1 461 . 11 1 1 A 39 39 ILE HA H 39 4.136 4.403 -0.267 1
1 471 . 11 1 1 A 39 39 ILE C C 39 175.586 175.107 0.479 1
1 472 . 11 1 1 A 39 39 ILE CA C 39 60.873 59.956 0.917 1
1 473 . 11 1 1 A 39 39 ILE CB C 39 38.727 37.775 0.952 1
1 477 . 11 1 1 A 39 39 ILE N N 39 121.669 122.076 -0.407 1
1 478 . 11 1 1 A 40 40 SER H H 40 8.101 7.916 0.185 1
1 479 . 11 1 1 A 40 40 SER HA H 40 4.347 4.898 -0.551 1
1 482 . 11 1 1 A 40 40 SER C C 40 173.336 174.352 -1.016 1
1 483 . 11 1 1 A 40 40 SER CA C 40 57.331 57.033 0.298 1
1 484 . 11 1 1 A 40 40 SER CB C 40 63.983 66.032 -2.049 1
1 485 . 11 1 1 A 40 40 SER N N 40 119.591 115.444 4.147 1
1 486 . 11 1 1 A 41 41 TYR H H 41 8.100 9.019 -0.919 1
1 487 . 11 1 1 A 41 41 TYR HA H 41 4.436 4.274 0.162 1
1 494 . 11 1 1 A 41 41 TYR CA C 41 56.067 62.709 -6.642 1
1 495 . 11 1 1 A 41 41 TYR CB C 41 38.244 37.163 1.081 1
1 496 . 11 1 1 A 41 41 TYR N N 41 122.744 123.799 -1.055 1
1 497 . 11 1 1 A 42 42 PRO HA H 42 4.281 4.389 -0.108 1
1 504 . 11 1 1 A 42 42 PRO C C 42 176.765 177.088 -0.323 1
1 505 . 11 1 1 A 42 42 PRO CA C 42 63.650 64.798 -1.148 1
1 506 . 11 1 1 A 42 42 PRO CB C 42 30.513 31.281 -0.768 1
1 509 . 11 1 1 A 43 43 ASP H H 43 8.305 8.096 0.209 1
1 510 . 11 1 1 A 43 43 ASP HA H 43 4.548 4.522 0.026 1
1 513 . 11 1 1 A 43 43 ASP C C 43 175.135 177.934 -2.799 1
1 514 . 11 1 1 A 43 43 ASP CA C 43 53.570 55.054 -1.484 1
1 515 . 11 1 1 A 43 43 ASP CB C 43 38.450 41.395 -2.945 1
1 516 . 11 1 1 A 43 43 ASP N N 43 118.052 117.667 0.385 1
1 517 . 11 1 1 A 44 44 ALA H H 44 8.013 8.266 -0.253 1
1 518 . 11 1 1 A 44 44 ALA HA H 44 4.106 4.162 -0.056 1
1 522 . 11 1 1 A 44 44 ALA C C 44 177.969 180.042 -2.073 1
1 523 . 11 1 1 A 44 44 ALA CA C 44 52.867 55.308 -2.441 1
1 524 . 11 1 1 A 44 44 ALA CB C 44 19.023 17.872 1.151 1
1 525 . 11 1 1 A 44 44 ALA N N 44 123.344 122.728 0.616 1
1 526 . 11 1 1 A 45 45 ILE H H 45 7.860 7.630 0.230 1
1 527 . 11 1 1 A 45 45 ILE HA H 45 3.855 4.136 -0.281 1
1 537 . 11 1 1 A 45 45 ILE C C 45 176.287 177.544 -1.257 1
1 538 . 11 1 1 A 45 45 ILE CA C 45 61.465 63.876 -2.411 1
1 539 . 11 1 1 A 45 45 ILE CB C 45 38.294 37.574 0.720 1
1 543 . 11 1 1 A 45 45 ILE N N 45 118.636 118.651 -0.015 1
1 544 . 11 1 1 A 46 46 TRP H H 46 7.646 7.846 -0.200 1
1 545 . 11 1 1 A 46 46 TRP HA H 46 4.504 4.335 0.169 1
1 554 . 11 1 1 A 46 46 TRP C C 46 176.136 179.374 -3.238 1
1 555 . 11 1 1 A 46 46 TRP CA C 46 57.139 60.227 -3.088 1
1 556 . 11 1 1 A 46 46 TRP CB C 46 28.880 29.927 -1.047 1
1 558 . 11 1 1 A 46 46 TRP N N 46 122.947 121.883 1.064 1
1 560 . 11 1 1 A 47 47 TRP H H 47 7.502 8.099 -0.597 1
1 561 . 11 1 1 A 47 47 TRP HA H 47 4.482 4.463 0.019 1
1 570 . 11 1 1 A 47 47 TRP C C 47 176.149 178.304 -2.155 1
1 571 . 11 1 1 A 47 47 TRP CA C 47 57.197 61.084 -3.887 1
1 572 . 11 1 1 A 47 47 TRP CB C 47 29.703 29.318 0.385 1
1 573 . 11 1 1 A 47 47 TRP N N 47 120.943 122.312 -1.369 1
1 575 . 11 1 1 A 48 48 SER H H 48 7.861 8.486 -0.625 1
1 576 . 11 1 1 A 48 48 SER HA H 48 4.258 4.026 0.232 1
1 579 . 11 1 1 A 48 48 SER C C 48 174.600 175.954 -1.354 1
1 580 . 11 1 1 A 48 48 SER CA C 48 57.844 62.151 -4.307 1
1 581 . 11 1 1 A 48 48 SER CB C 48 64.102 63.073 1.029 1
1 582 . 11 1 1 A 48 48 SER N N 48 116.339 116.113 0.226 1
1 583 . 11 1 1 A 49 49 VAL H H 49 7.921 7.630 0.291 1
1 584 . 11 1 1 A 49 49 VAL HA H 49 3.990 3.547 0.443 1
1 592 . 11 1 1 A 49 49 VAL C C 49 176.402 177.592 -1.190 1
1 593 . 11 1 1 A 49 49 VAL CA C 49 62.909 66.555 -3.646 1
1 594 . 11 1 1 A 49 49 VAL CB C 49 32.467 31.497 0.970 1
1 597 . 11 1 1 A 49 49 VAL N N 49 121.079 121.642 -0.563 1
1 598 . 11 1 1 A 50 50 GLU H H 50 8.229 7.659 0.570 1
1 599 . 11 1 1 A 50 50 GLU HA H 50 4.307 4.044 0.263 1
1 604 . 11 1 1 A 50 50 GLU C C 50 176.506 179.447 -2.941 1
1 605 . 11 1 1 A 50 50 GLU CA C 50 57.040 59.406 -2.366 1
1 606 . 11 1 1 A 50 50 GLU CB C 50 30.123 29.177 0.946 1
1 608 . 11 1 1 A 50 50 GLU N N 50 122.433 119.375 3.058 1
1 609 . 11 1 1 A 51 51 THR H H 51 7.993 7.623 0.370 1
1 610 . 11 1 1 A 51 51 THR HA H 51 4.248 3.575 0.673 1
1 615 . 11 1 1 A 51 51 THR C C 51 174.430 176.445 -2.015 1
1 616 . 11 1 1 A 51 51 THR CA C 51 62.227 66.112 -3.885 1
1 617 . 11 1 1 A 51 51 THR CB C 51 69.712 67.994 1.718 1
1 619 . 11 1 1 A 51 51 THR N N 51 114.413 117.440 -3.027 1
1 620 . 11 1 1 A 52 52 ALA H H 52 8.160 7.757 0.403 1
1 621 . 11 1 1 A 52 52 ALA HA H 52 4.212 4.164 0.048 1
1 625 . 11 1 1 A 52 52 ALA C C 52 177.976 179.113 -1.137 1
1 626 . 11 1 1 A 52 52 ALA CA C 52 53.069 54.909 -1.840 1
1 627 . 11 1 1 A 52 52 ALA CB C 52 19.178 18.201 0.977 1
1 628 . 11 1 1 A 52 52 ALA N N 52 125.641 124.096 1.545 1
1 629 . 11 1 1 A 53 53 THR H H 53 8.022 7.574 0.448 1
1 630 . 11 1 1 A 53 53 THR HA H 53 4.231 4.459 -0.228 1
1 635 . 11 1 1 A 53 53 THR C C 53 174.750 175.530 -0.780 1
1 636 . 11 1 1 A 53 53 THR CA C 53 62.231 62.037 0.194 1
1 637 . 11 1 1 A 53 53 THR CB C 53 69.726 69.239 0.487 1
1 639 . 11 1 1 A 53 53 THR N N 53 112.100 107.961 4.139 1
1 640 . 11 1 1 A 54 54 THR H H 54 7.999 8.041 -0.042 1
1 641 . 11 1 1 A 54 54 THR HA H 54 4.303 4.335 -0.032 1
1 646 . 11 1 1 A 54 54 THR C C 54 174.592 175.355 -0.763 1
1 647 . 11 1 1 A 54 54 THR CA C 54 62.002 64.106 -2.104 1
1 648 . 11 1 1 A 54 54 THR CB C 54 69.793 67.041 2.752 1
1 650 . 11 1 1 A 54 54 THR N N 54 116.238 115.474 0.764 1
1 651 . 11 1 1 A 55 55 VAL H H 55 8.098 8.263 -0.165 1
1 652 . 11 1 1 A 55 55 VAL HA H 55 4.017 3.451 0.566 1
1 660 . 11 1 1 A 55 55 VAL C C 55 176.453 176.447 0.006 1
1 661 . 11 1 1 A 55 55 VAL CA C 55 62.650 65.788 -3.138 1
1 662 . 11 1 1 A 55 55 VAL CB C 55 32.524 31.486 1.038 1
1 665 . 11 1 1 A 55 55 VAL N N 55 122.445 122.026 0.419 1
1 666 . 11 1 1 A 56 56 GLY H H 56 8.308 7.619 0.689 1
1 667 . 11 1 1 A 56 56 GLY HA2 H 56 3.839 3.923 -0.084 1
1 668 . 11 1 1 A 56 56 GLY HA3 H 56 4.019 3.959 0.060 1
1 669 . 11 1 1 A 56 56 GLY C C 56 173.958 175.093 -1.135 1
1 670 . 11 1 1 A 56 56 GLY CA C 56 45.216 46.989 -1.773 1
1 671 . 11 1 1 A 56 56 GLY N N 56 112.118 109.261 2.857 1
1 672 . 11 1 1 A 57 57 TYR H H 57 8.051 8.677 -0.626 1
1 673 . 11 1 1 A 57 57 TYR HA H 57 4.402 4.607 -0.205 1
1 680 . 11 1 1 A 57 57 TYR C C 57 176.557 175.970 0.587 1
1 681 . 11 1 1 A 57 57 TYR CA C 57 58.251 58.649 -0.398 1
1 682 . 11 1 1 A 57 57 TYR CB C 57 38.935 38.844 0.091 1
1 683 . 11 1 1 A 57 57 TYR N N 57 120.259 118.345 1.914 1
1 684 . 11 1 1 A 58 58 GLY H H 58 8.335 8.116 0.219 1
1 685 . 11 1 1 A 58 58 GLY HA2 H 58 3.801 4.129 -0.328 1
1 686 . 11 1 1 A 58 58 GLY HA3 H 58 3.801 4.195 -0.394 1
1 687 . 11 1 1 A 58 58 GLY C C 58 173.911 174.931 -1.020 1
1 688 . 11 1 1 A 58 58 GLY CA C 58 45.311 45.932 -0.621 1
1 689 . 11 1 1 A 58 58 GLY N N 58 110.220 107.959 2.261 1
1 690 . 11 1 1 A 59 59 ASP H H 59 8.161 8.183 -0.022 1
1 691 . 11 1 1 A 59 59 ASP HA H 59 4.581 4.464 0.117 1
1 694 . 11 1 1 A 59 59 ASP C C 59 175.189 175.597 -0.408 1
1 695 . 11 1 1 A 59 59 ASP CA C 59 53.570 56.733 -3.163 1
1 696 . 11 1 1 A 59 59 ASP CB C 59 38.750 42.221 -3.471 1
1 697 . 11 1 1 A 59 59 ASP N N 59 118.765 121.629 -2.864 1
1 698 . 11 1 1 A 60 60 ARG H H 60 8.086 7.772 0.314 1
1 699 . 11 1 1 A 60 60 ARG HA H 60 4.152 4.638 -0.486 1
1 711 . 11 1 1 A 60 60 ARG C C 60 176.603 174.550 2.053 1
1 712 . 11 1 1 A 60 60 ARG CA C 60 56.825 54.008 2.817 1
1 713 . 11 1 1 A 60 60 ARG CB C 60 30.935 33.911 -2.976 1
1 716 . 11 1 1 A 60 60 ARG N N 60 120.762 117.284 3.478 1
1 718 . 11 1 1 A 61 61 TYR H H 61 8.117 8.345 -0.228 1
1 719 . 11 1 1 A 61 61 TYR HA H 61 4.488 5.322 -0.834 1
1 726 . 11 1 1 A 61 61 TYR CA C 61 56.688 55.562 1.126 1
1 727 . 11 1 1 A 61 61 TYR CB C 61 39.582 41.141 -1.559 1
1 728 . 11 1 1 A 61 61 TYR N N 61 121.714 117.991 3.723 1
1 729 . 11 1 1 A 62 62 PRO HA H 62 4.383 4.364 0.019 1
1 736 . 11 1 1 A 62 62 PRO C C 62 177.441 176.328 1.113 1
1 737 . 11 1 1 A 62 62 PRO CA C 62 63.212 62.084 1.128 1
1 738 . 11 1 1 A 62 62 PRO CB C 62 31.939 32.469 -0.530 1
1 741 . 11 1 1 A 63 63 VAL H H 63 8.217 8.898 -0.681 1
1 742 . 11 1 1 A 63 63 VAL HA H 63 4.164 4.288 -0.124 1
1 750 . 11 1 1 A 63 63 VAL C C 63 176.576 176.392 0.184 1
1 751 . 11 1 1 A 63 63 VAL CA C 63 62.382 62.044 0.338 1
1 752 . 11 1 1 A 63 63 VAL CB C 63 32.862 33.176 -0.314 1
1 755 . 11 1 1 A 63 63 VAL N N 63 120.316 121.043 -0.727 1
1 756 . 11 1 1 A 64 64 THR H H 64 8.084 8.774 -0.690 1
1 757 . 11 1 1 A 64 64 THR HA H 64 4.313 3.940 0.373 1
1 762 . 11 1 1 A 64 64 THR C C 64 174.558 176.285 -1.727 1
1 763 . 11 1 1 A 64 64 THR CA C 64 62.606 65.502 -2.896 1
1 764 . 11 1 1 A 64 64 THR CB C 64 70.496 69.011 1.485 1
1 766 . 11 1 1 A 64 64 THR N N 64 116.779 120.990 -4.211 1
1 767 . 11 1 1 A 65 65 GLU H H 65 8.404 8.324 0.080 1
1 768 . 11 1 1 A 65 65 GLU HA H 65 4.314 3.912 0.402 1
1 773 . 11 1 1 A 65 65 GLU C C 65 175.016 179.053 -4.037 1
1 774 . 11 1 1 A 65 65 GLU CA C 65 57.750 59.744 -1.994 1
1 775 . 11 1 1 A 65 65 GLU CB C 65 30.083 29.408 0.675 1
1 777 . 11 1 1 A 65 65 GLU N N 65 122.323 120.782 1.541 1
1 778 . 11 1 1 A 66 66 GLU H H 66 8.397 8.121 0.276 1
1 779 . 11 1 1 A 66 66 GLU HA H 66 4.224 4.236 -0.012 1
1 784 . 11 1 1 A 66 66 GLU C C 66 176.855 179.579 -2.724 1
1 785 . 11 1 1 A 66 66 GLU CA C 66 58.023 59.062 -1.039 1
1 786 . 11 1 1 A 66 66 GLU CB C 66 29.857 30.111 -0.254 1
1 788 . 11 1 1 A 66 66 GLU N N 66 122.201 118.047 4.154 1
1 789 . 11 1 1 A 67 67 GLY H H 67 8.376 8.495 -0.119 1
1 790 . 11 1 1 A 67 67 GLY HA2 H 67 3.834 3.779 0.055 1
1 791 . 11 1 1 A 67 67 GLY HA3 H 67 3.834 3.807 0.027 1
1 792 . 11 1 1 A 67 67 GLY C C 67 173.071 175.640 -2.569 1
1 793 . 11 1 1 A 67 67 GLY CA C 67 45.871 47.313 -1.442 1
1 794 . 11 1 1 A 67 67 GLY N N 67 109.499 109.132 0.367 1
1 795 . 11 1 1 A 68 68 ARG H H 68 8.011 7.721 0.290 1
1 796 . 11 1 1 A 68 68 ARG HA H 68 4.482 4.162 0.320 1
1 808 . 11 1 1 A 68 68 ARG C C 68 177.494 178.732 -1.238 1
1 809 . 11 1 1 A 68 68 ARG CA C 68 57.574 58.343 -0.769 1
1 810 . 11 1 1 A 68 68 ARG CB C 68 30.325 29.921 0.404 1
1 813 . 11 1 1 A 68 68 ARG N N 68 122.501 121.959 0.542 1
1 815 . 11 1 1 A 69 69 LYS H H 69 7.986 7.907 0.079 1
1 816 . 11 1 1 A 69 69 LYS HA H 69 4.150 4.077 0.073 1
1 825 . 11 1 1 A 69 69 LYS C C 69 178.168 179.275 -1.107 1
1 826 . 11 1 1 A 69 69 LYS CA C 69 57.781 59.247 -1.466 1
1 827 . 11 1 1 A 69 69 LYS CB C 69 32.705 32.669 0.036 1
1 831 . 11 1 1 A 69 69 LYS N N 69 120.934 118.904 2.030 1
1 832 . 11 1 1 A 70 70 VAL H H 70 7.848 8.194 -0.346 1
1 833 . 11 1 1 A 70 70 VAL HA H 70 4.088 3.633 0.455 1
1 841 . 11 1 1 A 70 70 VAL C C 70 175.998 178.026 -2.028 1
1 842 . 11 1 1 A 70 70 VAL CA C 70 64.206 66.348 -2.142 1
1 843 . 11 1 1 A 70 70 VAL CB C 70 31.873 31.680 0.193 1
1 846 . 11 1 1 A 70 70 VAL N N 70 120.324 120.298 0.026 1
1 847 . 11 1 1 A 71 71 ALA H H 71 8.300 8.828 -0.528 1
1 848 . 11 1 1 A 71 71 ALA HA H 71 4.221 4.013 0.208 1
1 852 . 11 1 1 A 71 71 ALA C C 71 178.225 178.836 -0.611 1
1 853 . 11 1 1 A 71 71 ALA CA C 71 53.106 56.027 -2.921 1
1 854 . 11 1 1 A 71 71 ALA CB C 71 19.128 18.616 0.512 1
1 855 . 11 1 1 A 71 71 ALA N N 71 127.025 122.382 4.643 1
1 856 . 11 1 1 A 72 72 GLU H H 72 8.181 8.516 -0.335 1
1 857 . 11 1 1 A 72 72 GLU HA H 72 4.219 4.003 0.216 1
1 862 . 11 1 1 A 72 72 GLU C C 72 176.779 179.115 -2.336 1
1 863 . 11 1 1 A 72 72 GLU CA C 72 56.776 59.883 -3.107 1
1 864 . 11 1 1 A 72 72 GLU CB C 72 28.610 29.208 -0.598 1
1 866 . 11 1 1 A 72 72 GLU N N 72 123.008 118.217 4.791 1
1 867 . 11 1 1 A 73 73 GLN H H 73 8.132 7.691 0.441 1
1 868 . 11 1 1 A 73 73 GLN HA H 73 4.141 4.131 0.010 1
1 875 . 11 1 1 A 73 73 GLN C C 73 175.803 178.543 -2.740 1
1 876 . 11 1 1 A 73 73 GLN CA C 73 56.456 58.527 -2.071 1
1 877 . 11 1 1 A 73 73 GLN CB C 73 28.290 28.624 -0.334 1
1 879 . 11 1 1 A 73 73 GLN N N 73 120.564 119.927 0.637 1
1 881 . 11 1 1 A 74 74 VAL H H 74 8.088 7.999 0.089 1
1 882 . 11 1 1 A 74 74 VAL HA H 74 3.986 3.464 0.522 1
1 890 . 11 1 1 A 74 74 VAL C C 74 176.167 177.168 -1.001 1
1 891 . 11 1 1 A 74 74 VAL CA C 74 63.123 66.406 -3.283 1
1 892 . 11 1 1 A 74 74 VAL CB C 74 30.082 31.489 -1.407 1
1 895 . 11 1 1 A 74 74 VAL N N 74 121.828 119.974 1.854 1
1 896 . 11 1 1 A 75 75 MET H H 75 8.167 8.674 -0.507 1
1 897 . 11 1 1 A 75 75 MET HA H 75 4.093 4.175 -0.082 1
1 903 . 11 1 1 A 75 75 MET C C 75 176.455 178.155 -1.700 1
1 904 . 11 1 1 A 75 75 MET N N 75 123.990 119.118 4.872 1
1 905 . 11 1 1 A 76 76 LYS H H 76 8.287 7.969 0.318 1
1 906 . 11 1 1 A 76 76 LYS HA H 76 4.234 4.003 0.231 1
1 915 . 11 1 1 A 76 76 LYS C C 76 176.220 178.799 -2.579 1
1 916 . 11 1 1 A 76 76 LYS CA C 76 56.765 58.891 -2.126 1
1 917 . 11 1 1 A 76 76 LYS CB C 76 33.055 32.241 0.814 1
1 921 . 11 1 1 A 76 76 LYS N N 76 122.725 119.695 3.030 1
1 922 . 11 1 1 A 77 77 ALA H H 77 8.308 8.177 0.131 1
1 923 . 11 1 1 A 77 77 ALA HA H 77 4.213 4.053 0.160 1
1 927 . 11 1 1 A 77 77 ALA C C 77 178.097 179.885 -1.788 1
1 928 . 11 1 1 A 77 77 ALA CA C 77 52.740 54.948 -2.208 1
1 929 . 11 1 1 A 77 77 ALA CB C 77 19.427 18.391 1.036 1
1 930 . 11 1 1 A 77 77 ALA N N 77 125.316 121.409 3.907 1
1 931 . 11 1 1 A 78 78 GLY H H 78 8.284 7.977 0.307 1
1 932 . 11 1 1 A 78 78 GLY HA2 H 78 3.873 3.589 0.284 1
1 933 . 11 1 1 A 78 78 GLY HA3 H 78 3.873 3.770 0.103 1
1 934 . 11 1 1 A 78 78 GLY C C 78 174.065 175.599 -1.534 1
1 935 . 11 1 1 A 78 78 GLY CA C 78 45.497 47.277 -1.780 1
1 936 . 11 1 1 A 78 78 GLY N N 78 107.778 105.311 2.467 1
1 937 . 11 1 1 A 79 79 ILE H H 79 7.882 7.759 0.123 1
1 938 . 11 1 1 A 79 79 ILE HA H 79 4.119 4.108 0.011 1
1 948 . 11 1 1 A 79 79 ILE C C 79 176.160 179.074 -2.914 1
1 949 . 11 1 1 A 79 79 ILE CA C 79 61.436 64.239 -2.803 1
1 950 . 11 1 1 A 79 79 ILE CB C 79 38.904 37.472 1.432 1
1 954 . 11 1 1 A 79 79 ILE N N 79 119.794 122.627 -2.833 1
1 955 . 11 1 1 A 80 80 GLU H H 80 8.354 7.981 0.373 1
1 956 . 11 1 1 A 80 80 GLU HA H 80 4.282 3.981 0.301 1
1 961 . 11 1 1 A 80 80 GLU C C 80 176.174 179.368 -3.194 1
1 962 . 11 1 1 A 80 80 GLU CA C 80 57.178 59.182 -2.004 1
1 963 . 11 1 1 A 80 80 GLU CB C 80 30.019 29.308 0.711 1
1 965 . 11 1 1 A 80 80 GLU N N 80 124.311 119.295 5.016 1
1 966 . 11 1 1 A 81 81 VAL H H 81 8.205 7.345 0.860 1
1 967 . 11 1 1 A 81 81 VAL HA H 81 3.985 3.486 0.499 1
1 975 . 11 1 1 A 81 81 VAL C C 81 175.815 178.033 -2.218 1
1 976 . 11 1 1 A 81 81 VAL CA C 81 62.865 66.208 -3.343 1
1 977 . 11 1 1 A 81 81 VAL CB C 81 32.629 31.441 1.188 1
1 980 . 11 1 1 A 81 81 VAL N N 81 121.106 120.523 0.583 1
1 981 . 11 1 1 A 82 82 PHE H H 82 8.252 7.904 0.348 1
1 982 . 11 1 1 A 82 82 PHE HA H 82 4.551 4.297 0.254 1
1 990 . 11 1 1 A 82 82 PHE C C 82 175.631 178.598 -2.967 1
1 991 . 11 1 1 A 82 82 PHE CA C 82 58.206 60.326 -2.120 1
1 992 . 11 1 1 A 82 82 PHE CB C 82 39.431 37.937 1.494 1
1 993 . 11 1 1 A 82 82 PHE N N 82 123.622 118.638 4.984 1
1 994 . 11 1 1 A 83 83 ALA H H 83 8.184 8.475 -0.291 1
1 995 . 11 1 1 A 83 83 ALA HA H 83 4.230 4.222 0.008 1
1 999 . 11 1 1 A 83 83 ALA C C 83 178.025 180.290 -2.265 1
1 1000 . 11 1 1 A 83 83 ALA CA C 83 52.731 54.832 -2.101 1
1 1001 . 11 1 1 A 83 83 ALA CB C 83 19.359 18.300 1.059 1
1 1002 . 11 1 1 A 83 83 ALA N N 83 125.081 122.687 2.394 1
1 1003 . 11 1 1 A 84 84 LEU H H 84 8.104 7.949 0.155 1
1 1004 . 11 1 1 A 84 84 LEU HA H 84 4.167 4.151 0.016 1
1 1014 . 11 1 1 A 84 84 LEU C C 84 176.390 179.044 -2.654 1
1 1015 . 11 1 1 A 84 84 LEU CA C 84 55.786 57.157 -1.371 1
1 1016 . 11 1 1 A 84 84 LEU CB C 84 42.179 41.574 0.605 1
1 1020 . 11 1 1 A 84 84 LEU N N 84 119.064 121.069 -2.005 1
1 1021 . 11 1 1 A 85 85 VAL H H 85 8.155 7.944 0.211 1
1 1022 . 11 1 1 A 85 85 VAL HA H 85 4.073 3.817 0.256 1
1 1030 . 11 1 1 A 85 85 VAL C C 85 176.521 178.169 -1.648 1
1 1031 . 11 1 1 A 85 85 VAL CA C 85 62.762 65.889 -3.127 1
1 1032 . 11 1 1 A 85 85 VAL CB C 85 32.498 31.583 0.915 1
1 1035 . 11 1 1 A 85 85 VAL N N 85 121.743 117.735 4.008 1
1 1036 . 11 1 1 A 86 86 THR H H 86 8.052 7.621 0.431 1
1 1037 . 11 1 1 A 86 86 THR HA H 86 4.141 3.990 0.151 1
1 1042 . 11 1 1 A 86 86 THR C C 86 174.706 176.511 -1.805 1
1 1043 . 11 1 1 A 86 86 THR CA C 86 62.351 65.879 -3.528 1
1 1044 . 11 1 1 A 86 86 THR CB C 86 69.618 68.566 1.052 1
1 1046 . 11 1 1 A 86 86 THR N N 86 117.693 115.624 2.069 1
1 1047 . 11 1 1 A 87 87 ALA H H 87 8.216 8.322 -0.106 1
1 1048 . 11 1 1 A 87 87 ALA HA H 87 4.170 4.091 0.079 1
1 1052 . 11 1 1 A 87 87 ALA C C 87 178.003 179.167 -1.164 1
1 1053 . 11 1 1 A 87 87 ALA CA C 87 52.967 54.489 -1.522 1
1 1054 . 11 1 1 A 87 87 ALA CB C 87 18.326 18.350 -0.024 1
1 1055 . 11 1 1 A 87 87 ALA N N 87 126.174 122.914 3.260 1
1 1056 . 11 1 1 A 88 88 ALA H H 88 8.129 8.086 0.043 1
1 1057 . 11 1 1 A 88 88 ALA HA H 88 4.147 4.340 -0.193 1
1 1061 . 11 1 1 A 88 88 ALA C C 88 178.246 179.377 -1.131 1
1 1062 . 11 1 1 A 88 88 ALA CA C 88 52.961 54.370 -1.409 1
1 1063 . 11 1 1 A 88 88 ALA CB C 88 19.290 19.546 -0.256 1
1 1064 . 11 1 1 A 88 88 ALA N N 88 122.649 119.735 2.914 1
1 1065 . 11 1 1 A 89 89 LEU H H 89 7.992 7.972 0.020 1
1 1066 . 11 1 1 A 89 89 LEU HA H 89 4.153 4.025 0.128 1
1 1076 . 11 1 1 A 89 89 LEU C C 89 176.375 178.398 -2.023 1
1 1077 . 11 1 1 A 89 89 LEU CA C 89 57.099 57.981 -0.882 1
1 1078 . 11 1 1 A 89 89 LEU CB C 89 42.055 41.478 0.577 1
1 1082 . 11 1 1 A 89 89 LEU N N 89 120.616 118.897 1.719 1
1 1083 . 11 1 1 A 90 90 ALA H H 90 8.168 8.299 -0.131 1
1 1084 . 11 1 1 A 90 90 ALA HA H 90 4.218 4.271 -0.053 1
1 1088 . 11 1 1 A 90 90 ALA C C 90 178.487 178.368 0.119 1
1 1089 . 11 1 1 A 90 90 ALA CA C 90 53.043 54.197 -1.154 1
1 1090 . 11 1 1 A 90 90 ALA CB C 90 19.269 18.451 0.818 1
1 1091 . 11 1 1 A 90 90 ALA N N 90 124.243 121.607 2.636 1
1 1092 . 11 1 1 A 91 91 THR H H 91 7.988 7.523 0.465 1
1 1093 . 11 1 1 A 91 91 THR HA H 91 4.181 4.216 -0.035 1
1 1098 . 11 1 1 A 91 91 THR C C 91 174.931 174.829 0.102 1
1 1099 . 11 1 1 A 91 91 THR CA C 91 62.190 62.502 -0.312 1
1 1100 . 11 1 1 A 91 91 THR CB C 91 69.198 68.870 0.328 1
1 1102 . 11 1 1 A 91 91 THR N N 91 112.659 112.438 0.221 1
1 1103 . 11 1 1 A 92 92 ASP H H 92 8.254 8.101 0.153 1
1 1104 . 11 1 1 A 92 92 ASP HA H 92 4.541 4.489 0.052 1
1 1107 . 11 1 1 A 92 92 ASP C C 92 175.823 178.509 -2.686 1
1 1108 . 11 1 1 A 92 92 ASP CA C 92 53.570 56.767 -3.197 1
1 1109 . 11 1 1 A 92 92 ASP CB C 92 38.750 40.750 -2.000 1
1 1110 . 11 1 1 A 92 92 ASP N N 92 120.688 121.473 -0.785 1
1 1111 . 11 1 1 A 93 93 PHE H H 93 8.048 8.228 -0.180 1
1 1112 . 11 1 1 A 93 93 PHE HA H 93 4.547 4.428 0.119 1
1 1120 . 11 1 1 A 93 93 PHE C C 93 176.384 177.513 -1.129 1
1 1121 . 11 1 1 A 93 93 PHE CA C 93 58.633 59.544 -0.911 1
1 1122 . 11 1 1 A 93 93 PHE CB C 93 39.451 37.742 1.709 1
1 1123 . 11 1 1 A 93 93 PHE N N 93 120.763 117.015 3.748 1
1 1124 . 11 1 1 A 94 94 VAL H H 94 7.904 7.578 0.326 1
1 1125 . 11 1 1 A 94 94 VAL HA H 94 4.364 3.010 1.354 1
1 1133 . 11 1 1 A 94 94 VAL C C 94 176.851 177.860 -1.009 1
1 1134 . 11 1 1 A 94 94 VAL CA C 94 63.297 65.845 -2.548 1
1 1135 . 11 1 1 A 94 94 VAL CB C 94 29.241 31.053 -1.812 1
1 1138 . 11 1 1 A 94 94 VAL N N 94 121.478 120.462 1.016 1
1 1139 . 11 1 1 A 95 95 ARG H H 95 8.146 8.034 0.112 1
1 1140 . 11 1 1 A 95 95 ARG HA H 95 4.134 4.157 -0.023 1
1 1152 . 11 1 1 A 95 95 ARG C C 95 177.395 178.982 -1.587 1
1 1153 . 11 1 1 A 95 95 ARG CA C 95 55.978 58.899 -2.921 1
1 1154 . 11 1 1 A 95 95 ARG CB C 95 31.070 29.799 1.271 1
1 1157 . 11 1 1 A 95 95 ARG N N 95 122.920 119.318 3.602 1
1 1159 . 11 1 1 A 96 96 ARG H H 96 8.313 7.610 0.703 1
1 1160 . 11 1 1 A 96 96 ARG HA H 96 4.180 4.085 0.095 1
1 1172 . 11 1 1 A 96 96 ARG C C 96 176.839 176.778 0.061 1
1 1173 . 11 1 1 A 96 96 ARG CA C 96 56.831 58.791 -1.960 1
1 1174 . 11 1 1 A 96 96 ARG CB C 96 30.952 30.325 0.627 1
1 1177 . 11 1 1 A 96 96 ARG N N 96 121.064 119.606 1.458 1
1 1179 . 11 1 1 A 97 97 GLU H H 97 8.356 7.644 0.712 1
1 1180 . 11 1 1 A 97 97 GLU HA H 97 4.220 4.317 -0.097 1
1 1185 . 11 1 1 A 97 97 GLU C C 97 176.319 177.308 -0.989 1
1 1186 . 11 1 1 A 97 97 GLU CA C 97 57.408 56.185 1.223 1
1 1187 . 11 1 1 A 97 97 GLU CB C 97 28.610 30.699 -2.089 1
1 1189 . 11 1 1 A 97 97 GLU N N 97 121.754 119.410 2.344 1
1 1190 . 11 1 1 A 98 98 GLU H H 98 8.328 8.975 -0.647 1
1 1191 . 11 1 1 A 98 98 GLU HA H 98 4.240 3.914 0.326 1
1 1196 . 11 1 1 A 98 98 GLU C C 98 176.132 176.628 -0.496 1
1 1197 . 11 1 1 A 98 98 GLU CA C 98 57.666 58.977 -1.311 1
1 1198 . 11 1 1 A 98 98 GLU CB C 98 30.045 27.363 2.682 1
1 1200 . 11 1 1 A 98 98 GLU N N 98 121.414 121.382 0.032 1
1 1201 . 11 1 1 A 99 99 GLU H H 99 8.418 8.399 0.019 1
1 1202 . 11 1 1 A 99 99 GLU HA H 99 4.299 4.091 0.208 1
1 1207 . 11 1 1 A 99 99 GLU C C 99 177.021 178.464 -1.443 1
1 1208 . 11 1 1 A 99 99 GLU CA C 99 57.397 59.302 -1.905 1
1 1209 . 11 1 1 A 99 99 GLU CB C 99 30.309 29.236 1.073 1
1 1211 . 11 1 1 A 99 99 GLU N N 99 121.312 119.819 1.493 1
1 1212 . 11 1 1 A 100 100 ARG H H 100 8.013 7.805 0.208 1
1 1213 . 11 1 1 A 100 100 ARG HA H 100 4.180 4.223 -0.043 1
1 1225 . 11 1 1 A 100 100 ARG C C 100 176.313 175.974 0.339 1
1 1226 . 11 1 1 A 100 100 ARG CA C 100 57.238 57.638 -0.400 1
1 1227 . 11 1 1 A 100 100 ARG CB C 100 30.298 30.333 -0.035 1
1 1230 . 11 1 1 A 100 100 ARG N N 100 121.871 119.306 2.565 1
1 1232 . 11 1 1 A 101 101 ARG H H 101 8.260 7.729 0.531 1
1 1233 . 11 1 1 A 101 101 ARG HA H 101 4.260 4.553 -0.293 1
1 1245 . 11 1 1 A 101 101 ARG C C 101 176.753 176.217 0.536 1
1 1246 . 11 1 1 A 101 101 ARG CA C 101 56.492 55.206 1.286 1
1 1247 . 11 1 1 A 101 101 ARG CB C 101 30.838 31.271 -0.433 1
1 1250 . 11 1 1 A 101 101 ARG N N 101 122.019 117.766 4.253 1
1 1252 . 11 1 1 A 102 102 GLY H H 102 8.380 7.976 0.404 1
1 1253 . 11 1 1 A 102 102 GLY HA2 H 102 3.849 4.029 -0.180 1
1 1254 . 11 1 1 A 102 102 GLY HA3 H 102 3.849 4.045 -0.196 1
1 1255 . 11 1 1 A 102 102 GLY C C 102 173.145 173.562 -0.417 1
1 1256 . 11 1 1 A 102 102 GLY CA C 102 45.401 45.541 -0.140 1
1 1257 . 11 1 1 A 102 102 GLY N N 102 110.110 113.762 -3.652 1
1 9 . 12 1 1 A 2 2 ALA H H 2 8.742 8.228 0.514 1
1 10 . 12 1 1 A 2 2 ALA HA H 2 4.302 4.513 -0.211 1
1 14 . 12 1 1 A 2 2 ALA C C 2 177.216 176.561 0.655 1
1 15 . 12 1 1 A 2 2 ALA CA C 2 52.876 50.986 1.890 1
1 16 . 12 1 1 A 2 2 ALA CB C 2 19.182 22.611 -3.429 1
1 17 . 12 1 1 A 2 2 ALA N N 2 124.657 126.488 -1.831 1
1 18 . 12 1 1 A 3 3 ASP H H 3 8.432 8.785 -0.353 1
1 19 . 12 1 1 A 3 3 ASP HA H 3 4.530 4.200 0.330 1
1 22 . 12 1 1 A 3 3 ASP C C 3 176.023 178.080 -2.057 1
1 23 . 12 1 1 A 3 3 ASP CA C 3 53.721 57.676 -3.955 1
1 24 . 12 1 1 A 3 3 ASP CB C 3 38.752 40.097 -1.345 1
1 25 . 12 1 1 A 3 3 ASP N N 3 118.729 118.742 -0.013 1
1 26 . 12 1 1 A 4 4 HIS H H 4 8.549 6.890 1.659 1
1 27 . 12 1 1 A 4 4 HIS HA H 4 4.568 4.383 0.185 1
1 32 . 12 1 1 A 4 4 HIS C C 4 175.101 177.719 -2.618 1
1 33 . 12 1 1 A 4 4 HIS CA C 4 56.640 58.723 -2.083 1
1 34 . 12 1 1 A 4 4 HIS CB C 4 28.961 29.344 -0.383 1
1 37 . 12 1 1 A 4 4 HIS N N 4 119.650 118.421 1.229 1
1 38 . 12 1 1 A 5 5 GLU H H 5 8.330 8.504 -0.174 1
1 39 . 12 1 1 A 5 5 GLU HA H 5 4.207 4.019 0.188 1
1 44 . 12 1 1 A 5 5 GLU C C 5 175.749 179.335 -3.586 1
1 45 . 12 1 1 A 5 5 GLU CA C 5 56.594 59.651 -3.057 1
1 46 . 12 1 1 A 5 5 GLU CB C 5 29.285 29.327 -0.042 1
1 48 . 12 1 1 A 5 5 GLU N N 5 120.937 117.561 3.376 1
1 49 . 12 1 1 A 6 6 ARG H H 6 8.325 8.039 0.286 1
1 50 . 12 1 1 A 6 6 ARG HA H 6 4.571 4.134 0.437 1
1 62 . 12 1 1 A 6 6 ARG C C 6 177.578 178.945 -1.367 1
1 63 . 12 1 1 A 6 6 ARG CA C 6 56.716 59.540 -2.824 1
1 64 . 12 1 1 A 6 6 ARG CB C 6 30.744 29.977 0.767 1
1 67 . 12 1 1 A 6 6 ARG N N 6 120.267 120.079 0.188 1
1 69 . 12 1 1 A 7 7 GLU H H 7 8.136 8.303 -0.167 1
1 70 . 12 1 1 A 7 7 GLU HA H 7 4.165 4.115 0.050 1
1 75 . 12 1 1 A 7 7 GLU C C 7 177.156 178.865 -1.709 1
1 76 . 12 1 1 A 7 7 GLU CA C 7 57.125 58.829 -1.704 1
1 77 . 12 1 1 A 7 7 GLU CB C 7 30.149 29.090 1.059 1
1 79 . 12 1 1 A 7 7 GLU N N 7 121.008 119.131 1.877 1
1 80 . 12 1 1 A 8 8 ALA H H 8 8.325 8.474 -0.149 1
1 81 . 12 1 1 A 8 8 ALA HA H 8 4.212 4.093 0.119 1
1 85 . 12 1 1 A 8 8 ALA C C 8 178.913 179.450 -0.537 1
1 86 . 12 1 1 A 8 8 ALA CA C 8 52.832 55.118 -2.286 1
1 87 . 12 1 1 A 8 8 ALA CB C 8 18.909 18.056 0.853 1
1 88 . 12 1 1 A 8 8 ALA N N 8 124.538 122.389 2.149 1
1 89 . 12 1 1 A 9 9 GLN H H 9 8.159 8.245 -0.086 1
1 90 . 12 1 1 A 9 9 GLN HA H 9 4.140 4.017 0.123 1
1 97 . 12 1 1 A 9 9 GLN C C 9 175.771 178.085 -2.314 1
1 98 . 12 1 1 A 9 9 GLN CA C 9 57.655 59.136 -1.481 1
1 99 . 12 1 1 A 9 9 GLN CB C 9 28.606 28.515 0.091 1
1 101 . 12 1 1 A 9 9 GLN N N 9 124.103 117.939 6.164 1
1 103 . 12 1 1 A 10 10 LYS H H 10 8.148 8.148 0.000 1
1 104 . 12 1 1 A 10 10 LYS HA H 10 4.204 4.056 0.148 1
1 113 . 12 1 1 A 10 10 LYS C C 10 177.798 178.579 -0.781 1
1 114 . 12 1 1 A 10 10 LYS CA C 10 57.139 58.742 -1.603 1
1 115 . 12 1 1 A 10 10 LYS CB C 10 33.040 32.161 0.879 1
1 119 . 12 1 1 A 10 10 LYS N N 10 120.635 118.733 1.902 1
1 120 . 12 1 1 A 11 11 ALA H H 11 8.148 7.963 0.185 1
1 121 . 12 1 1 A 11 11 ALA HA H 11 4.140 4.018 0.122 1
1 125 . 12 1 1 A 11 11 ALA C C 11 178.173 180.048 -1.875 1
1 126 . 12 1 1 A 11 11 ALA CA C 11 53.351 54.925 -1.574 1
1 127 . 12 1 1 A 11 11 ALA CB C 11 19.128 18.036 1.092 1
1 128 . 12 1 1 A 11 11 ALA N N 11 123.171 121.469 1.702 1
1 129 . 12 1 1 A 12 12 GLU H H 12 8.248 7.701 0.547 1
1 130 . 12 1 1 A 12 12 GLU HA H 12 4.222 4.008 0.214 1
1 135 . 12 1 1 A 12 12 GLU C C 12 176.385 179.388 -3.003 1
1 136 . 12 1 1 A 12 12 GLU CA C 12 57.442 59.413 -1.971 1
1 137 . 12 1 1 A 12 12 GLU CB C 12 30.001 29.142 0.859 1
1 139 . 12 1 1 A 12 12 GLU N N 12 119.451 118.385 1.066 1
1 140 . 12 1 1 A 13 13 GLU H H 13 8.372 7.963 0.409 1
1 141 . 12 1 1 A 13 13 GLU HA H 13 4.265 4.099 0.166 1
1 146 . 12 1 1 A 13 13 GLU C C 13 178.060 179.891 -1.831 1
1 147 . 12 1 1 A 13 13 GLU CA C 13 56.828 59.004 -2.176 1
1 148 . 12 1 1 A 13 13 GLU CB C 13 30.082 29.232 0.850 1
1 150 . 12 1 1 A 13 13 GLU N N 13 121.080 120.840 0.240 1
1 151 . 12 1 1 A 14 14 GLU H H 14 8.152 7.614 0.538 1
1 152 . 12 1 1 A 14 14 GLU HA H 14 4.142 4.138 0.004 1
1 157 . 12 1 1 A 14 14 GLU C C 14 176.274 178.782 -2.508 1
1 158 . 12 1 1 A 14 14 GLU CA C 14 56.892 58.936 -2.044 1
1 159 . 12 1 1 A 14 14 GLU CB C 14 28.169 29.104 -0.935 1
1 161 . 12 1 1 A 14 14 GLU N N 14 120.236 119.740 0.496 1
1 162 . 12 1 1 A 15 15 LEU H H 15 8.301 7.693 0.608 1
1 163 . 12 1 1 A 15 15 LEU HA H 15 4.224 4.053 0.171 1
1 173 . 12 1 1 A 15 15 LEU C C 15 177.983 178.791 -0.808 1
1 174 . 12 1 1 A 15 15 LEU CA C 15 56.344 57.547 -1.203 1
1 175 . 12 1 1 A 15 15 LEU CB C 15 42.250 41.726 0.524 1
1 179 . 12 1 1 A 15 15 LEU N N 15 123.072 121.081 1.991 1
1 180 . 12 1 1 A 16 16 GLN H H 16 8.132 7.835 0.297 1
1 181 . 12 1 1 A 16 16 GLN HA H 16 4.145 4.084 0.061 1
1 188 . 12 1 1 A 16 16 GLN C C 16 177.674 178.690 -1.016 1
1 189 . 12 1 1 A 16 16 GLN CA C 16 57.971 59.127 -1.156 1
1 190 . 12 1 1 A 16 16 GLN CB C 16 29.889 27.951 1.938 1
1 192 . 12 1 1 A 16 16 GLN N N 16 119.160 118.500 0.660 1
1 194 . 12 1 1 A 17 17 LYS H H 17 8.214 7.512 0.702 1
1 195 . 12 1 1 A 17 17 LYS HA H 17 4.140 4.098 0.042 1
1 204 . 12 1 1 A 17 17 LYS C C 17 177.646 179.088 -1.442 1
1 205 . 12 1 1 A 17 17 LYS CA C 17 57.115 59.160 -2.045 1
1 206 . 12 1 1 A 17 17 LYS CB C 17 32.833 32.398 0.435 1
1 210 . 12 1 1 A 17 17 LYS N N 17 120.310 121.348 -1.038 1
1 211 . 12 1 1 A 18 18 VAL H H 18 7.871 7.275 0.596 1
1 212 . 12 1 1 A 18 18 VAL HA H 18 4.108 3.865 0.243 1
1 220 . 12 1 1 A 18 18 VAL C C 18 177.476 178.121 -0.645 1
1 221 . 12 1 1 A 18 18 VAL CA C 18 63.634 65.650 -2.016 1
1 222 . 12 1 1 A 18 18 VAL CB C 18 31.886 31.181 0.705 1
1 225 . 12 1 1 A 18 18 VAL N N 18 120.571 117.605 2.966 1
1 226 . 12 1 1 A 19 19 LEU H H 19 8.180 7.965 0.215 1
1 227 . 12 1 1 A 19 19 LEU HA H 19 4.042 3.863 0.179 1
1 237 . 12 1 1 A 19 19 LEU C C 19 179.462 179.464 -0.002 1
1 238 . 12 1 1 A 19 19 LEU CA C 19 57.653 58.557 -0.904 1
1 239 . 12 1 1 A 19 19 LEU CB C 19 41.800 41.718 0.082 1
1 243 . 12 1 1 A 19 19 LEU N N 19 122.936 121.637 1.299 1
1 244 . 12 1 1 A 20 20 GLU H H 20 8.122 7.853 0.269 1
1 245 . 12 1 1 A 20 20 GLU HA H 20 4.156 3.927 0.229 1
1 250 . 12 1 1 A 20 20 GLU C C 20 178.001 179.311 -1.310 1
1 251 . 12 1 1 A 20 20 GLU CA C 20 58.045 59.677 -1.632 1
1 252 . 12 1 1 A 20 20 GLU CB C 20 30.092 29.268 0.824 1
1 254 . 12 1 1 A 20 20 GLU N N 20 118.745 117.435 1.310 1
1 255 . 12 1 1 A 21 21 GLU H H 21 8.190 7.966 0.224 1
1 256 . 12 1 1 A 21 21 GLU HA H 21 4.144 4.109 0.035 1
1 261 . 12 1 1 A 21 21 GLU C C 21 177.290 178.310 -1.020 1
1 262 . 12 1 1 A 21 21 GLU CA C 21 58.109 59.343 -1.234 1
1 263 . 12 1 1 A 21 21 GLU CB C 21 29.868 29.392 0.476 1
1 265 . 12 1 1 A 21 21 GLU N N 21 119.542 120.015 -0.473 1
1 266 . 12 1 1 A 22 22 ALA H H 22 8.092 8.826 -0.734 1
1 267 . 12 1 1 A 22 22 ALA HA H 22 4.173 4.180 -0.007 1
1 271 . 12 1 1 A 22 22 ALA C C 22 179.020 179.212 -0.192 1
1 272 . 12 1 1 A 22 22 ALA CA C 22 53.944 55.581 -1.637 1
1 273 . 12 1 1 A 22 22 ALA CB C 22 18.578 18.250 0.328 1
1 274 . 12 1 1 A 22 22 ALA N N 22 123.378 122.171 1.207 1
1 275 . 12 1 1 A 23 23 SER H H 23 8.079 8.275 -0.196 1
1 276 . 12 1 1 A 23 23 SER HA H 23 4.300 4.366 -0.066 1
1 279 . 12 1 1 A 23 23 SER C C 23 173.125 176.131 -3.006 1
1 280 . 12 1 1 A 23 23 SER CA C 23 59.414 61.550 -2.136 1
1 281 . 12 1 1 A 23 23 SER CB C 23 63.520 62.929 0.591 1
1 282 . 12 1 1 A 23 23 SER N N 23 114.637 113.389 1.248 1
1 283 . 12 1 1 A 24 24 LYS H H 24 8.032 7.802 0.230 1
1 284 . 12 1 1 A 24 24 LYS HA H 24 4.325 4.006 0.319 1
1 293 . 12 1 1 A 24 24 LYS C C 24 175.423 178.797 -3.374 1
1 294 . 12 1 1 A 24 24 LYS CA C 24 57.273 59.599 -2.326 1
1 295 . 12 1 1 A 24 24 LYS CB C 24 31.200 32.338 -1.138 1
1 299 . 12 1 1 A 24 24 LYS N N 24 122.635 121.416 1.219 1
1 300 . 12 1 1 A 25 25 LYS H H 25 8.042 8.479 -0.437 1
1 301 . 12 1 1 A 25 25 LYS HA H 25 4.169 4.040 0.129 1
1 310 . 12 1 1 A 25 25 LYS C C 25 177.025 179.237 -2.212 1
1 311 . 12 1 1 A 25 25 LYS CA C 25 56.876 59.683 -2.807 1
1 312 . 12 1 1 A 25 25 LYS CB C 25 31.200 32.550 -1.350 1
1 316 . 12 1 1 A 25 25 LYS N N 25 121.079 119.326 1.753 1
1 317 . 12 1 1 A 26 26 ALA H H 26 8.103 8.615 -0.512 1
1 318 . 12 1 1 A 26 26 ALA HA H 26 4.196 3.868 0.328 1
1 322 . 12 1 1 A 26 26 ALA C C 26 178.418 179.932 -1.514 1
1 323 . 12 1 1 A 26 26 ALA CA C 26 53.049 55.193 -2.144 1
1 324 . 12 1 1 A 26 26 ALA CB C 26 19.055 17.849 1.206 1
1 325 . 12 1 1 A 26 26 ALA N N 26 124.589 122.566 2.023 1
1 326 . 12 1 1 A 27 27 VAL H H 27 8.030 7.904 0.126 1
1 327 . 12 1 1 A 27 27 VAL HA H 27 3.945 3.712 0.233 1
1 335 . 12 1 1 A 27 27 VAL C C 27 179.177 177.550 1.627 1
1 336 . 12 1 1 A 27 27 VAL CA C 27 63.001 64.725 -1.724 1
1 337 . 12 1 1 A 27 27 VAL CB C 27 32.449 31.261 1.188 1
1 340 . 12 1 1 A 27 27 VAL N N 27 119.340 117.056 2.284 1
1 341 . 12 1 1 A 28 28 GLU H H 28 8.187 7.674 0.513 1
1 342 . 12 1 1 A 28 28 GLU HA H 28 4.166 4.014 0.152 1
1 347 . 12 1 1 A 28 28 GLU C C 28 176.411 179.136 -2.725 1
1 348 . 12 1 1 A 28 28 GLU CA C 28 57.290 59.376 -2.086 1
1 349 . 12 1 1 A 28 28 GLU CB C 28 30.025 29.302 0.723 1
1 351 . 12 1 1 A 28 28 GLU N N 28 120.351 122.339 -1.988 1
1 352 . 12 1 1 A 29 29 ALA H H 29 8.173 8.546 -0.373 1
1 353 . 12 1 1 A 29 29 ALA HA H 29 4.230 3.976 0.254 1
1 357 . 12 1 1 A 29 29 ALA C C 29 176.924 179.811 -2.887 1
1 358 . 12 1 1 A 29 29 ALA CA C 29 53.338 55.333 -1.995 1
1 359 . 12 1 1 A 29 29 ALA CB C 29 18.964 18.217 0.747 1
1 360 . 12 1 1 A 29 29 ALA N N 29 124.463 122.312 2.151 1
1 361 . 12 1 1 A 30 30 GLU H H 30 8.239 8.497 -0.258 1
1 362 . 12 1 1 A 30 30 GLU HA H 30 4.251 4.027 0.224 1
1 367 . 12 1 1 A 30 30 GLU C C 30 175.016 177.224 -2.208 1
1 368 . 12 1 1 A 30 30 GLU CA C 30 58.033 58.793 -0.760 1
1 369 . 12 1 1 A 30 30 GLU CB C 30 29.996 29.275 0.721 1
1 371 . 12 1 1 A 30 30 GLU N N 30 122.971 119.148 3.823 1
1 372 . 12 1 1 A 31 31 ARG H H 31 8.261 7.708 0.553 1
1 373 . 12 1 1 A 31 31 ARG HA H 31 4.255 4.100 0.155 1
1 385 . 12 1 1 A 31 31 ARG C C 31 176.727 177.037 -0.310 1
1 386 . 12 1 1 A 31 31 ARG CA C 31 56.565 57.629 -1.064 1
1 387 . 12 1 1 A 31 31 ARG CB C 31 30.783 29.646 1.137 1
1 390 . 12 1 1 A 31 31 ARG N N 31 121.894 118.322 3.572 1
1 392 . 12 1 1 A 32 32 GLY H H 32 8.302 8.471 -0.169 1
1 393 . 12 1 1 A 32 32 GLY HA2 H 32 3.852 3.967 -0.115 1
1 394 . 12 1 1 A 32 32 GLY HA3 H 32 3.852 3.971 -0.119 1
1 395 . 12 1 1 A 32 32 GLY C C 32 173.994 174.325 -0.331 1
1 396 . 12 1 1 A 32 32 GLY CA C 32 45.077 45.028 0.049 1
1 397 . 12 1 1 A 32 32 GLY N N 32 109.773 112.570 -2.797 1
1 398 . 12 1 1 A 33 33 ALA H H 33 8.011 7.963 0.048 1
1 399 . 12 1 1 A 33 33 ALA HA H 33 4.212 4.609 -0.397 1
1 403 . 12 1 1 A 33 33 ALA CA C 33 50.522 50.313 0.209 1
1 404 . 12 1 1 A 33 33 ALA CB C 33 18.962 19.767 -0.805 1
1 405 . 12 1 1 A 33 33 ALA N N 33 123.601 123.705 -0.104 1
1 406 . 12 1 1 A 34 34 PRO HA H 34 4.352 4.287 0.065 1
1 413 . 12 1 1 A 34 34 PRO C C 34 177.746 177.402 0.344 1
1 414 . 12 1 1 A 34 34 PRO CA C 34 63.520 63.655 -0.135 1
1 415 . 12 1 1 A 34 34 PRO CB C 34 31.938 31.872 0.066 1
1 418 . 12 1 1 A 35 35 GLY H H 35 8.433 8.847 -0.414 1
1 419 . 12 1 1 A 35 35 GLY HA2 H 35 3.848 3.968 -0.120 1
1 420 . 12 1 1 A 35 35 GLY HA3 H 35 3.848 3.979 -0.131 1
1 421 . 12 1 1 A 35 35 GLY C C 35 173.266 175.096 -1.830 1
1 422 . 12 1 1 A 35 35 GLY CA C 35 45.405 45.180 0.225 1
1 423 . 12 1 1 A 35 35 GLY N N 35 109.298 111.802 -2.504 1
1 424 . 12 1 1 A 36 36 ALA H H 36 8.095 7.771 0.324 1
1 425 . 12 1 1 A 36 36 ALA HA H 36 4.196 4.263 -0.067 1
1 429 . 12 1 1 A 36 36 ALA C C 36 177.944 177.169 0.775 1
1 430 . 12 1 1 A 36 36 ALA CA C 36 52.551 52.452 0.099 1
1 431 . 12 1 1 A 36 36 ALA CB C 36 19.485 19.588 -0.103 1
1 432 . 12 1 1 A 36 36 ALA N N 36 124.605 122.600 2.005 1
1 433 . 12 1 1 A 37 37 ALA H H 37 8.199 8.845 -0.646 1
1 434 . 12 1 1 A 37 37 ALA HA H 37 4.491 4.467 0.024 1
1 438 . 12 1 1 A 37 37 ALA C C 37 177.456 177.255 0.201 1
1 439 . 12 1 1 A 37 37 ALA CA C 37 52.453 52.352 0.101 1
1 440 . 12 1 1 A 37 37 ALA CB C 37 19.060 21.060 -2.000 1
1 441 . 12 1 1 A 37 37 ALA N N 37 123.695 122.308 1.387 1
1 442 . 12 1 1 A 38 38 LEU H H 38 8.099 8.109 -0.010 1
1 443 . 12 1 1 A 38 38 LEU HA H 38 4.243 4.288 -0.045 1
1 453 . 12 1 1 A 38 38 LEU C C 38 177.358 177.174 0.184 1
1 454 . 12 1 1 A 38 38 LEU CA C 38 55.218 53.787 1.431 1
1 455 . 12 1 1 A 38 38 LEU CB C 38 42.228 40.300 1.928 1
1 459 . 12 1 1 A 38 38 LEU N N 38 121.531 119.015 2.516 1
1 460 . 12 1 1 A 39 39 ILE H H 39 7.966 7.854 0.112 1
1 461 . 12 1 1 A 39 39 ILE HA H 39 4.136 4.196 -0.060 1
1 471 . 12 1 1 A 39 39 ILE C C 39 175.586 175.501 0.085 1
1 472 . 12 1 1 A 39 39 ILE CA C 39 60.873 60.820 0.053 1
1 473 . 12 1 1 A 39 39 ILE CB C 39 38.727 37.425 1.302 1
1 477 . 12 1 1 A 39 39 ILE N N 39 121.669 122.424 -0.755 1
1 478 . 12 1 1 A 40 40 SER H H 40 8.101 7.741 0.360 1
1 479 . 12 1 1 A 40 40 SER HA H 40 4.347 4.814 -0.467 1
1 482 . 12 1 1 A 40 40 SER C C 40 173.336 172.593 0.743 1
1 483 . 12 1 1 A 40 40 SER CA C 40 57.331 57.255 0.076 1
1 484 . 12 1 1 A 40 40 SER CB C 40 63.983 63.733 0.250 1
1 485 . 12 1 1 A 40 40 SER N N 40 119.591 114.539 5.052 1
1 486 . 12 1 1 A 41 41 TYR H H 41 8.100 8.267 -0.167 1
1 487 . 12 1 1 A 41 41 TYR HA H 41 4.436 4.645 -0.209 1
1 494 . 12 1 1 A 41 41 TYR CA C 41 56.067 59.188 -3.121 1
1 495 . 12 1 1 A 41 41 TYR CB C 41 38.244 39.997 -1.753 1
1 496 . 12 1 1 A 41 41 TYR N N 41 122.744 120.643 2.101 1
1 497 . 12 1 1 A 42 42 PRO HA H 42 4.281 3.916 0.365 1
1 504 . 12 1 1 A 42 42 PRO C C 42 176.765 176.925 -0.160 1
1 505 . 12 1 1 A 42 42 PRO CA C 42 63.650 64.093 -0.443 1
1 506 . 12 1 1 A 42 42 PRO CB C 42 30.513 31.389 -0.876 1
1 509 . 12 1 1 A 43 43 ASP H H 43 8.305 8.567 -0.262 1
1 510 . 12 1 1 A 43 43 ASP HA H 43 4.548 4.848 -0.300 1
1 513 . 12 1 1 A 43 43 ASP C C 43 175.135 178.245 -3.110 1
1 514 . 12 1 1 A 43 43 ASP CA C 43 53.570 54.201 -0.631 1
1 515 . 12 1 1 A 43 43 ASP CB C 43 38.450 40.853 -2.403 1
1 516 . 12 1 1 A 43 43 ASP N N 43 118.052 116.940 1.112 1
1 517 . 12 1 1 A 44 44 ALA H H 44 8.013 8.196 -0.183 1
1 518 . 12 1 1 A 44 44 ALA HA H 44 4.106 4.201 -0.095 1
1 522 . 12 1 1 A 44 44 ALA C C 44 177.969 180.047 -2.078 1
1 523 . 12 1 1 A 44 44 ALA CA C 44 52.867 54.692 -1.825 1
1 524 . 12 1 1 A 44 44 ALA CB C 44 19.023 18.354 0.669 1
1 525 . 12 1 1 A 44 44 ALA N N 44 123.344 123.949 -0.605 1
1 526 . 12 1 1 A 45 45 ILE H H 45 7.860 8.010 -0.150 1
1 527 . 12 1 1 A 45 45 ILE HA H 45 3.855 4.029 -0.174 1
1 537 . 12 1 1 A 45 45 ILE C C 45 176.287 177.400 -1.113 1
1 538 . 12 1 1 A 45 45 ILE CA C 45 61.465 64.008 -2.543 1
1 539 . 12 1 1 A 45 45 ILE CB C 45 38.294 37.562 0.732 1
1 543 . 12 1 1 A 45 45 ILE N N 45 118.636 119.351 -0.715 1
1 544 . 12 1 1 A 46 46 TRP H H 46 7.646 7.492 0.154 1
1 545 . 12 1 1 A 46 46 TRP HA H 46 4.504 4.512 -0.008 1
1 554 . 12 1 1 A 46 46 TRP C C 46 176.136 179.082 -2.946 1
1 555 . 12 1 1 A 46 46 TRP CA C 46 57.139 59.060 -1.921 1
1 556 . 12 1 1 A 46 46 TRP CB C 46 28.880 29.883 -1.003 1
1 558 . 12 1 1 A 46 46 TRP N N 46 122.947 121.079 1.868 1
1 560 . 12 1 1 A 47 47 TRP H H 47 7.502 8.060 -0.558 1
1 561 . 12 1 1 A 47 47 TRP HA H 47 4.482 4.385 0.097 1
1 570 . 12 1 1 A 47 47 TRP C C 47 176.149 178.574 -2.425 1
1 571 . 12 1 1 A 47 47 TRP CA C 47 57.197 61.054 -3.857 1
1 572 . 12 1 1 A 47 47 TRP CB C 47 29.703 29.458 0.245 1
1 573 . 12 1 1 A 47 47 TRP N N 47 120.943 122.318 -1.375 1
1 575 . 12 1 1 A 48 48 SER H H 48 7.861 8.024 -0.163 1
1 576 . 12 1 1 A 48 48 SER HA H 48 4.258 4.138 0.120 1
1 579 . 12 1 1 A 48 48 SER C C 48 174.600 176.136 -1.536 1
1 580 . 12 1 1 A 48 48 SER CA C 48 57.844 62.004 -4.160 1
1 581 . 12 1 1 A 48 48 SER CB C 48 64.102 63.047 1.055 1
1 582 . 12 1 1 A 48 48 SER N N 48 116.339 115.795 0.544 1
1 583 . 12 1 1 A 49 49 VAL H H 49 7.921 8.010 -0.089 1
1 584 . 12 1 1 A 49 49 VAL HA H 49 3.990 3.606 0.384 1
1 592 . 12 1 1 A 49 49 VAL C C 49 176.402 178.480 -2.078 1
1 593 . 12 1 1 A 49 49 VAL CA C 49 62.909 66.920 -4.011 1
1 594 . 12 1 1 A 49 49 VAL CB C 49 32.467 31.685 0.782 1
1 597 . 12 1 1 A 49 49 VAL N N 49 121.079 121.753 -0.674 1
1 598 . 12 1 1 A 50 50 GLU H H 50 8.229 8.051 0.178 1
1 599 . 12 1 1 A 50 50 GLU HA H 50 4.307 4.146 0.161 1
1 604 . 12 1 1 A 50 50 GLU C C 50 176.506 177.346 -0.840 1
1 605 . 12 1 1 A 50 50 GLU CA C 50 57.040 59.123 -2.083 1
1 606 . 12 1 1 A 50 50 GLU CB C 50 30.123 29.802 0.321 1
1 608 . 12 1 1 A 50 50 GLU N N 50 122.433 119.495 2.938 1
1 609 . 12 1 1 A 51 51 THR H H 51 7.993 7.645 0.348 1
1 610 . 12 1 1 A 51 51 THR HA H 51 4.248 4.422 -0.174 1
1 615 . 12 1 1 A 51 51 THR C C 51 174.430 176.126 -1.696 1
1 616 . 12 1 1 A 51 51 THR CA C 51 62.227 63.810 -1.583 1
1 617 . 12 1 1 A 51 51 THR CB C 51 69.712 69.898 -0.186 1
1 619 . 12 1 1 A 51 51 THR N N 51 114.413 115.620 -1.207 1
1 620 . 12 1 1 A 52 52 ALA H H 52 8.160 8.081 0.079 1
1 621 . 12 1 1 A 52 52 ALA HA H 52 4.212 4.187 0.025 1
1 625 . 12 1 1 A 52 52 ALA C C 52 177.976 178.088 -0.112 1
1 626 . 12 1 1 A 52 52 ALA CA C 52 53.069 54.177 -1.108 1
1 627 . 12 1 1 A 52 52 ALA CB C 52 19.178 18.422 0.756 1
1 628 . 12 1 1 A 52 52 ALA N N 52 125.641 123.207 2.434 1
1 629 . 12 1 1 A 53 53 THR H H 53 8.022 7.225 0.797 1
1 630 . 12 1 1 A 53 53 THR HA H 53 4.231 4.647 -0.416 1
1 635 . 12 1 1 A 53 53 THR C C 53 174.750 174.451 0.299 1
1 636 . 12 1 1 A 53 53 THR CA C 53 62.231 61.624 0.607 1
1 637 . 12 1 1 A 53 53 THR CB C 53 69.726 69.140 0.586 1
1 639 . 12 1 1 A 53 53 THR N N 53 112.100 107.223 4.877 1
1 640 . 12 1 1 A 54 54 THR H H 54 7.999 8.336 -0.337 1
1 641 . 12 1 1 A 54 54 THR HA H 54 4.303 4.092 0.211 1
1 646 . 12 1 1 A 54 54 THR C C 54 174.592 175.125 -0.533 1
1 647 . 12 1 1 A 54 54 THR CA C 54 62.002 63.381 -1.379 1
1 648 . 12 1 1 A 54 54 THR CB C 54 69.793 66.621 3.172 1
1 650 . 12 1 1 A 54 54 THR N N 54 116.238 115.212 1.026 1
1 651 . 12 1 1 A 55 55 VAL H H 55 8.098 8.100 -0.002 1
1 652 . 12 1 1 A 55 55 VAL HA H 55 4.017 4.001 0.016 1
1 660 . 12 1 1 A 55 55 VAL C C 55 176.453 176.750 -0.297 1
1 661 . 12 1 1 A 55 55 VAL CA C 55 62.650 64.368 -1.718 1
1 662 . 12 1 1 A 55 55 VAL CB C 55 32.524 32.646 -0.122 1
1 665 . 12 1 1 A 55 55 VAL N N 55 122.445 121.783 0.662 1
1 666 . 12 1 1 A 56 56 GLY H H 56 8.308 8.223 0.085 1
1 667 . 12 1 1 A 56 56 GLY HA2 H 56 3.839 3.908 -0.069 1
1 668 . 12 1 1 A 56 56 GLY HA3 H 56 4.019 3.922 0.097 1
1 669 . 12 1 1 A 56 56 GLY C C 56 173.958 174.807 -0.849 1
1 670 . 12 1 1 A 56 56 GLY CA C 56 45.216 46.697 -1.481 1
1 671 . 12 1 1 A 56 56 GLY N N 56 112.118 110.893 1.225 1
1 672 . 12 1 1 A 57 57 TYR H H 57 8.051 8.268 -0.217 1
1 673 . 12 1 1 A 57 57 TYR HA H 57 4.402 4.422 -0.020 1
1 680 . 12 1 1 A 57 57 TYR C C 57 176.557 176.009 0.548 1
1 681 . 12 1 1 A 57 57 TYR CA C 57 58.251 61.000 -2.749 1
1 682 . 12 1 1 A 57 57 TYR CB C 57 38.935 39.191 -0.256 1
1 683 . 12 1 1 A 57 57 TYR N N 57 120.259 120.996 -0.737 1
1 684 . 12 1 1 A 58 58 GLY H H 58 8.335 7.935 0.400 1
1 685 . 12 1 1 A 58 58 GLY HA2 H 58 3.801 4.087 -0.286 1
1 686 . 12 1 1 A 58 58 GLY HA3 H 58 3.801 4.120 -0.319 1
1 687 . 12 1 1 A 58 58 GLY C C 58 173.911 174.990 -1.079 1
1 688 . 12 1 1 A 58 58 GLY CA C 58 45.311 46.377 -1.066 1
1 689 . 12 1 1 A 58 58 GLY N N 58 110.220 107.525 2.695 1
1 690 . 12 1 1 A 59 59 ASP H H 59 8.161 8.162 -0.001 1
1 691 . 12 1 1 A 59 59 ASP HA H 59 4.581 4.388 0.193 1
1 694 . 12 1 1 A 59 59 ASP C C 59 175.189 175.665 -0.476 1
1 695 . 12 1 1 A 59 59 ASP CA C 59 53.570 56.959 -3.389 1
1 696 . 12 1 1 A 59 59 ASP CB C 59 38.750 42.044 -3.294 1
1 697 . 12 1 1 A 59 59 ASP N N 59 118.765 121.677 -2.912 1
1 698 . 12 1 1 A 60 60 ARG H H 60 8.086 7.912 0.174 1
1 699 . 12 1 1 A 60 60 ARG HA H 60 4.152 4.979 -0.827 1
1 711 . 12 1 1 A 60 60 ARG C C 60 176.603 174.236 2.367 1
1 712 . 12 1 1 A 60 60 ARG CA C 60 56.825 54.568 2.257 1
1 713 . 12 1 1 A 60 60 ARG CB C 60 30.935 33.688 -2.753 1
1 716 . 12 1 1 A 60 60 ARG N N 60 120.762 117.498 3.264 1
1 718 . 12 1 1 A 61 61 TYR H H 61 8.117 8.849 -0.732 1
1 719 . 12 1 1 A 61 61 TYR HA H 61 4.488 5.207 -0.719 1
1 726 . 12 1 1 A 61 61 TYR CA C 61 56.688 56.901 -0.213 1
1 727 . 12 1 1 A 61 61 TYR CB C 61 39.582 41.245 -1.663 1
1 728 . 12 1 1 A 61 61 TYR N N 61 121.714 121.961 -0.247 1
1 729 . 12 1 1 A 62 62 PRO HA H 62 4.383 4.680 -0.297 1
1 736 . 12 1 1 A 62 62 PRO C C 62 177.441 175.081 2.360 1
1 737 . 12 1 1 A 62 62 PRO CA C 62 63.212 62.187 1.025 1
1 738 . 12 1 1 A 62 62 PRO CB C 62 31.939 33.305 -1.366 1
1 741 . 12 1 1 A 63 63 VAL H H 63 8.217 8.312 -0.095 1
1 742 . 12 1 1 A 63 63 VAL HA H 63 4.164 4.340 -0.176 1
1 750 . 12 1 1 A 63 63 VAL C C 63 176.576 175.316 1.260 1
1 751 . 12 1 1 A 63 63 VAL CA C 63 62.382 59.656 2.726 1
1 752 . 12 1 1 A 63 63 VAL CB C 63 32.862 34.707 -1.845 1
1 755 . 12 1 1 A 63 63 VAL N N 63 120.316 120.512 -0.196 1
1 756 . 12 1 1 A 64 64 THR H H 64 8.084 8.861 -0.777 1
1 757 . 12 1 1 A 64 64 THR HA H 64 4.313 3.876 0.437 1
1 762 . 12 1 1 A 64 64 THR C C 64 174.558 176.205 -1.647 1
1 763 . 12 1 1 A 64 64 THR CA C 64 62.606 66.809 -4.203 1
1 764 . 12 1 1 A 64 64 THR CB C 64 70.496 68.732 1.764 1
1 766 . 12 1 1 A 64 64 THR N N 64 116.779 119.337 -2.558 1
1 767 . 12 1 1 A 65 65 GLU H H 65 8.404 7.997 0.407 1
1 768 . 12 1 1 A 65 65 GLU HA H 65 4.314 4.107 0.207 1
1 773 . 12 1 1 A 65 65 GLU C C 65 175.016 178.568 -3.552 1
1 774 . 12 1 1 A 65 65 GLU CA C 65 57.750 58.642 -0.892 1
1 775 . 12 1 1 A 65 65 GLU CB C 65 30.083 29.600 0.483 1
1 777 . 12 1 1 A 65 65 GLU N N 65 122.323 120.902 1.421 1
1 778 . 12 1 1 A 66 66 GLU H H 66 8.397 7.859 0.538 1
1 779 . 12 1 1 A 66 66 GLU HA H 66 4.224 4.349 -0.125 1
1 784 . 12 1 1 A 66 66 GLU C C 66 176.855 177.087 -0.232 1
1 785 . 12 1 1 A 66 66 GLU CA C 66 58.023 55.896 2.127 1
1 786 . 12 1 1 A 66 66 GLU CB C 66 29.857 30.177 -0.320 1
1 788 . 12 1 1 A 66 66 GLU N N 66 122.201 116.554 5.647 1
1 789 . 12 1 1 A 67 67 GLY H H 67 8.376 7.713 0.663 1
1 790 . 12 1 1 A 67 67 GLY HA2 H 67 3.834 3.966 -0.132 1
1 791 . 12 1 1 A 67 67 GLY HA3 H 67 3.834 3.968 -0.134 1
1 792 . 12 1 1 A 67 67 GLY C C 67 173.071 175.175 -2.104 1
1 793 . 12 1 1 A 67 67 GLY CA C 67 45.871 46.477 -0.606 1
1 794 . 12 1 1 A 67 67 GLY N N 67 109.499 108.206 1.293 1
1 795 . 12 1 1 A 68 68 ARG H H 68 8.011 7.972 0.039 1
1 796 . 12 1 1 A 68 68 ARG HA H 68 4.482 4.181 0.301 1
1 808 . 12 1 1 A 68 68 ARG C C 68 177.494 178.203 -0.709 1
1 809 . 12 1 1 A 68 68 ARG CA C 68 57.574 59.320 -1.746 1
1 810 . 12 1 1 A 68 68 ARG CB C 68 30.325 30.154 0.171 1
1 813 . 12 1 1 A 68 68 ARG N N 68 122.501 120.752 1.749 1
1 815 . 12 1 1 A 69 69 LYS H H 69 7.986 8.268 -0.282 1
1 816 . 12 1 1 A 69 69 LYS HA H 69 4.150 4.089 0.061 1
1 825 . 12 1 1 A 69 69 LYS C C 69 178.168 179.133 -0.965 1
1 826 . 12 1 1 A 69 69 LYS CA C 69 57.781 58.350 -0.569 1
1 827 . 12 1 1 A 69 69 LYS CB C 69 32.705 32.238 0.467 1
1 831 . 12 1 1 A 69 69 LYS N N 69 120.934 117.883 3.051 1
1 832 . 12 1 1 A 70 70 VAL H H 70 7.848 7.731 0.117 1
1 833 . 12 1 1 A 70 70 VAL HA H 70 4.088 3.620 0.468 1
1 841 . 12 1 1 A 70 70 VAL C C 70 175.998 178.015 -2.017 1
1 842 . 12 1 1 A 70 70 VAL CA C 70 64.206 66.337 -2.131 1
1 843 . 12 1 1 A 70 70 VAL CB C 70 31.873 31.538 0.335 1
1 846 . 12 1 1 A 70 70 VAL N N 70 120.324 119.853 0.471 1
1 847 . 12 1 1 A 71 71 ALA H H 71 8.300 7.852 0.448 1
1 848 . 12 1 1 A 71 71 ALA HA H 71 4.221 4.095 0.126 1
1 852 . 12 1 1 A 71 71 ALA C C 71 178.225 179.292 -1.067 1
1 853 . 12 1 1 A 71 71 ALA CA C 71 53.106 55.968 -2.862 1
1 854 . 12 1 1 A 71 71 ALA CB C 71 19.128 18.630 0.498 1
1 855 . 12 1 1 A 71 71 ALA N N 71 127.025 122.196 4.829 1
1 856 . 12 1 1 A 72 72 GLU H H 72 8.181 8.243 -0.062 1
1 857 . 12 1 1 A 72 72 GLU HA H 72 4.219 4.066 0.153 1
1 862 . 12 1 1 A 72 72 GLU C C 72 176.779 178.684 -1.905 1
1 863 . 12 1 1 A 72 72 GLU CA C 72 56.776 59.505 -2.729 1
1 864 . 12 1 1 A 72 72 GLU CB C 72 28.610 29.313 -0.703 1
1 866 . 12 1 1 A 72 72 GLU N N 72 123.008 118.579 4.429 1
1 867 . 12 1 1 A 73 73 GLN H H 73 8.132 7.927 0.205 1
1 868 . 12 1 1 A 73 73 GLN HA H 73 4.141 4.151 -0.010 1
1 875 . 12 1 1 A 73 73 GLN C C 73 175.803 178.267 -2.464 1
1 876 . 12 1 1 A 73 73 GLN CA C 73 56.456 58.567 -2.111 1
1 877 . 12 1 1 A 73 73 GLN CB C 73 28.290 28.150 0.140 1
1 879 . 12 1 1 A 73 73 GLN N N 73 120.564 119.725 0.839 1
1 881 . 12 1 1 A 74 74 VAL H H 74 8.088 7.779 0.309 1
1 882 . 12 1 1 A 74 74 VAL HA H 74 3.986 3.843 0.143 1
1 890 . 12 1 1 A 74 74 VAL C C 74 176.167 177.653 -1.486 1
1 891 . 12 1 1 A 74 74 VAL CA C 74 63.123 64.837 -1.714 1
1 892 . 12 1 1 A 74 74 VAL CB C 74 30.082 31.545 -1.463 1
1 895 . 12 1 1 A 74 74 VAL N N 74 121.828 119.396 2.432 1
1 896 . 12 1 1 A 75 75 MET H H 75 8.167 8.098 0.069 1
1 897 . 12 1 1 A 75 75 MET HA H 75 4.093 4.195 -0.102 1
1 903 . 12 1 1 A 75 75 MET C C 75 176.455 178.467 -2.012 1
1 904 . 12 1 1 A 75 75 MET N N 75 123.990 121.749 2.241 1
1 905 . 12 1 1 A 76 76 LYS H H 76 8.287 8.138 0.149 1
1 906 . 12 1 1 A 76 76 LYS HA H 76 4.234 4.059 0.175 1
1 915 . 12 1 1 A 76 76 LYS C C 76 176.220 178.665 -2.445 1
1 916 . 12 1 1 A 76 76 LYS CA C 76 56.765 58.722 -1.957 1
1 917 . 12 1 1 A 76 76 LYS CB C 76 33.055 32.166 0.889 1
1 921 . 12 1 1 A 76 76 LYS N N 76 122.725 119.900 2.825 1
1 922 . 12 1 1 A 77 77 ALA H H 77 8.308 8.310 -0.002 1
1 923 . 12 1 1 A 77 77 ALA HA H 77 4.213 4.024 0.189 1
1 927 . 12 1 1 A 77 77 ALA C C 77 178.097 179.838 -1.741 1
1 928 . 12 1 1 A 77 77 ALA CA C 77 52.740 54.905 -2.165 1
1 929 . 12 1 1 A 77 77 ALA CB C 77 19.427 18.444 0.983 1
1 930 . 12 1 1 A 77 77 ALA N N 77 125.316 122.149 3.167 1
1 931 . 12 1 1 A 78 78 GLY H H 78 8.284 8.023 0.261 1
1 932 . 12 1 1 A 78 78 GLY HA2 H 78 3.873 3.520 0.353 1
1 933 . 12 1 1 A 78 78 GLY HA3 H 78 3.873 3.734 0.139 1
1 934 . 12 1 1 A 78 78 GLY C C 78 174.065 175.693 -1.628 1
1 935 . 12 1 1 A 78 78 GLY CA C 78 45.497 47.346 -1.849 1
1 936 . 12 1 1 A 78 78 GLY N N 78 107.778 105.228 2.550 1
1 937 . 12 1 1 A 79 79 ILE H H 79 7.882 7.814 0.068 1
1 938 . 12 1 1 A 79 79 ILE HA H 79 4.119 3.995 0.124 1
1 948 . 12 1 1 A 79 79 ILE C C 79 176.160 178.318 -2.158 1
1 949 . 12 1 1 A 79 79 ILE CA C 79 61.436 64.165 -2.729 1
1 950 . 12 1 1 A 79 79 ILE CB C 79 38.904 37.456 1.448 1
1 954 . 12 1 1 A 79 79 ILE N N 79 119.794 122.602 -2.808 1
1 955 . 12 1 1 A 80 80 GLU H H 80 8.354 8.000 0.354 1
1 956 . 12 1 1 A 80 80 GLU HA H 80 4.282 4.035 0.247 1
1 961 . 12 1 1 A 80 80 GLU C C 80 176.174 179.098 -2.924 1
1 962 . 12 1 1 A 80 80 GLU CA C 80 57.178 59.124 -1.946 1
1 963 . 12 1 1 A 80 80 GLU CB C 80 30.019 29.129 0.890 1
1 965 . 12 1 1 A 80 80 GLU N N 80 124.311 119.356 4.955 1
1 966 . 12 1 1 A 81 81 VAL H H 81 8.205 7.474 0.731 1
1 967 . 12 1 1 A 81 81 VAL HA H 81 3.985 3.475 0.510 1
1 975 . 12 1 1 A 81 81 VAL C C 81 175.815 177.946 -2.131 1
1 976 . 12 1 1 A 81 81 VAL CA C 81 62.865 66.310 -3.445 1
1 977 . 12 1 1 A 81 81 VAL CB C 81 32.629 31.395 1.234 1
1 980 . 12 1 1 A 81 81 VAL N N 81 121.106 120.327 0.779 1
1 981 . 12 1 1 A 82 82 PHE H H 82 8.252 7.942 0.310 1
1 982 . 12 1 1 A 82 82 PHE HA H 82 4.551 4.121 0.430 1
1 990 . 12 1 1 A 82 82 PHE C C 82 175.631 178.163 -2.532 1
1 991 . 12 1 1 A 82 82 PHE CA C 82 58.206 61.530 -3.324 1
1 992 . 12 1 1 A 82 82 PHE CB C 82 39.431 38.008 1.423 1
1 993 . 12 1 1 A 82 82 PHE N N 82 123.622 118.363 5.259 1
1 994 . 12 1 1 A 83 83 ALA H H 83 8.184 8.760 -0.576 1
1 995 . 12 1 1 A 83 83 ALA HA H 83 4.230 4.172 0.058 1
1 999 . 12 1 1 A 83 83 ALA C C 83 178.025 180.210 -2.185 1
1 1000 . 12 1 1 A 83 83 ALA CA C 83 52.731 55.157 -2.426 1
1 1001 . 12 1 1 A 83 83 ALA CB C 83 19.359 18.265 1.094 1
1 1002 . 12 1 1 A 83 83 ALA N N 83 125.081 122.671 2.410 1
1 1003 . 12 1 1 A 84 84 LEU H H 84 8.104 7.804 0.300 1
1 1004 . 12 1 1 A 84 84 LEU HA H 84 4.167 4.103 0.064 1
1 1014 . 12 1 1 A 84 84 LEU C C 84 176.390 178.971 -2.581 1
1 1015 . 12 1 1 A 84 84 LEU CA C 84 55.786 57.468 -1.682 1
1 1016 . 12 1 1 A 84 84 LEU CB C 84 42.179 41.343 0.836 1
1 1020 . 12 1 1 A 84 84 LEU N N 84 119.064 120.715 -1.651 1
1 1021 . 12 1 1 A 85 85 VAL H H 85 8.155 7.898 0.257 1
1 1022 . 12 1 1 A 85 85 VAL HA H 85 4.073 3.866 0.207 1
1 1030 . 12 1 1 A 85 85 VAL C C 85 176.521 178.130 -1.609 1
1 1031 . 12 1 1 A 85 85 VAL CA C 85 62.762 65.745 -2.983 1
1 1032 . 12 1 1 A 85 85 VAL CB C 85 32.498 31.581 0.917 1
1 1035 . 12 1 1 A 85 85 VAL N N 85 121.743 117.865 3.878 1
1 1036 . 12 1 1 A 86 86 THR H H 86 8.052 7.856 0.196 1
1 1037 . 12 1 1 A 86 86 THR HA H 86 4.141 3.980 0.161 1
1 1042 . 12 1 1 A 86 86 THR C C 86 174.706 176.916 -2.210 1
1 1043 . 12 1 1 A 86 86 THR CA C 86 62.351 66.194 -3.843 1
1 1044 . 12 1 1 A 86 86 THR CB C 86 69.618 69.028 0.590 1
1 1046 . 12 1 1 A 86 86 THR N N 86 117.693 115.790 1.903 1
1 1047 . 12 1 1 A 87 87 ALA H H 87 8.216 8.176 0.040 1
1 1048 . 12 1 1 A 87 87 ALA HA H 87 4.170 4.059 0.111 1
1 1052 . 12 1 1 A 87 87 ALA C C 87 178.003 179.255 -1.252 1
1 1053 . 12 1 1 A 87 87 ALA CA C 87 52.967 54.700 -1.733 1
1 1054 . 12 1 1 A 87 87 ALA CB C 87 18.326 18.276 0.050 1
1 1055 . 12 1 1 A 87 87 ALA N N 87 126.174 123.485 2.689 1
1 1056 . 12 1 1 A 88 88 ALA H H 88 8.129 8.027 0.102 1
1 1057 . 12 1 1 A 88 88 ALA HA H 88 4.147 4.246 -0.099 1
1 1061 . 12 1 1 A 88 88 ALA C C 88 178.246 179.272 -1.026 1
1 1062 . 12 1 1 A 88 88 ALA CA C 88 52.961 54.501 -1.540 1
1 1063 . 12 1 1 A 88 88 ALA CB C 88 19.290 19.530 -0.240 1
1 1064 . 12 1 1 A 88 88 ALA N N 88 122.649 119.907 2.742 1
1 1065 . 12 1 1 A 89 89 LEU H H 89 7.992 8.190 -0.198 1
1 1066 . 12 1 1 A 89 89 LEU HA H 89 4.153 3.949 0.204 1
1 1076 . 12 1 1 A 89 89 LEU C C 89 176.375 178.438 -2.063 1
1 1077 . 12 1 1 A 89 89 LEU CA C 89 57.099 58.018 -0.919 1
1 1078 . 12 1 1 A 89 89 LEU CB C 89 42.055 41.449 0.606 1
1 1082 . 12 1 1 A 89 89 LEU N N 89 120.616 118.066 2.550 1
1 1083 . 12 1 1 A 90 90 ALA H H 90 8.168 8.252 -0.084 1
1 1084 . 12 1 1 A 90 90 ALA HA H 90 4.218 4.310 -0.092 1
1 1088 . 12 1 1 A 90 90 ALA C C 90 178.487 178.670 -0.183 1
1 1089 . 12 1 1 A 90 90 ALA CA C 90 53.043 54.106 -1.063 1
1 1090 . 12 1 1 A 90 90 ALA CB C 90 19.269 18.405 0.864 1
1 1091 . 12 1 1 A 90 90 ALA N N 90 124.243 121.449 2.794 1
1 1092 . 12 1 1 A 91 91 THR H H 91 7.988 7.967 0.021 1
1 1093 . 12 1 1 A 91 91 THR HA H 91 4.181 4.067 0.114 1
1 1098 . 12 1 1 A 91 91 THR C C 91 174.931 175.352 -0.421 1
1 1099 . 12 1 1 A 91 91 THR CA C 91 62.190 63.592 -1.402 1
1 1100 . 12 1 1 A 91 91 THR CB C 91 69.198 69.042 0.156 1
1 1102 . 12 1 1 A 91 91 THR N N 91 112.659 112.927 -0.268 1
1 1103 . 12 1 1 A 92 92 ASP H H 92 8.254 7.974 0.280 1
1 1104 . 12 1 1 A 92 92 ASP HA H 92 4.541 4.254 0.287 1
1 1107 . 12 1 1 A 92 92 ASP C C 92 175.823 177.930 -2.107 1
1 1108 . 12 1 1 A 92 92 ASP CA C 92 53.570 56.938 -3.368 1
1 1109 . 12 1 1 A 92 92 ASP CB C 92 38.750 40.518 -1.768 1
1 1110 . 12 1 1 A 92 92 ASP N N 92 120.688 122.208 -1.520 1
1 1111 . 12 1 1 A 93 93 PHE H H 93 8.048 8.148 -0.100 1
1 1112 . 12 1 1 A 93 93 PHE HA H 93 4.547 4.435 0.112 1
1 1120 . 12 1 1 A 93 93 PHE C C 93 176.384 177.323 -0.939 1
1 1121 . 12 1 1 A 93 93 PHE CA C 93 58.633 59.462 -0.829 1
1 1122 . 12 1 1 A 93 93 PHE CB C 93 39.451 37.650 1.801 1
1 1123 . 12 1 1 A 93 93 PHE N N 93 120.763 117.732 3.031 1
1 1124 . 12 1 1 A 94 94 VAL H H 94 7.904 7.539 0.365 1
1 1125 . 12 1 1 A 94 94 VAL HA H 94 4.364 3.166 1.198 1
1 1133 . 12 1 1 A 94 94 VAL C C 94 176.851 177.875 -1.024 1
1 1134 . 12 1 1 A 94 94 VAL CA C 94 63.297 65.880 -2.583 1
1 1135 . 12 1 1 A 94 94 VAL CB C 94 29.241 30.760 -1.519 1
1 1138 . 12 1 1 A 94 94 VAL N N 94 121.478 120.553 0.925 1
1 1139 . 12 1 1 A 95 95 ARG H H 95 8.146 7.775 0.371 1
1 1140 . 12 1 1 A 95 95 ARG HA H 95 4.134 4.178 -0.044 1
1 1152 . 12 1 1 A 95 95 ARG C C 95 177.395 179.211 -1.816 1
1 1153 . 12 1 1 A 95 95 ARG CA C 95 55.978 58.667 -2.689 1
1 1154 . 12 1 1 A 95 95 ARG CB C 95 31.070 29.932 1.138 1
1 1157 . 12 1 1 A 95 95 ARG N N 95 122.920 119.599 3.321 1
1 1159 . 12 1 1 A 96 96 ARG H H 96 8.313 8.147 0.166 1
1 1160 . 12 1 1 A 96 96 ARG HA H 96 4.180 4.093 0.087 1
1 1172 . 12 1 1 A 96 96 ARG C C 96 176.839 179.045 -2.206 1
1 1173 . 12 1 1 A 96 96 ARG CA C 96 56.831 59.596 -2.765 1
1 1174 . 12 1 1 A 96 96 ARG CB C 96 30.952 30.027 0.925 1
1 1177 . 12 1 1 A 96 96 ARG N N 96 121.064 119.340 1.724 1
1 1179 . 12 1 1 A 97 97 GLU H H 97 8.356 7.968 0.388 1
1 1180 . 12 1 1 A 97 97 GLU HA H 97 4.220 4.158 0.062 1
1 1185 . 12 1 1 A 97 97 GLU C C 97 176.319 178.589 -2.270 1
1 1186 . 12 1 1 A 97 97 GLU CA C 97 57.408 58.452 -1.044 1
1 1187 . 12 1 1 A 97 97 GLU CB C 97 28.610 28.305 0.305 1
1 1189 . 12 1 1 A 97 97 GLU N N 97 121.754 118.319 3.435 1
1 1190 . 12 1 1 A 98 98 GLU H H 98 8.328 7.858 0.470 1
1 1191 . 12 1 1 A 98 98 GLU HA H 98 4.240 4.429 -0.189 1
1 1196 . 12 1 1 A 98 98 GLU C C 98 176.132 179.319 -3.187 1
1 1197 . 12 1 1 A 98 98 GLU CA C 98 57.666 59.197 -1.531 1
1 1198 . 12 1 1 A 98 98 GLU CB C 98 30.045 29.465 0.580 1
1 1200 . 12 1 1 A 98 98 GLU N N 98 121.414 119.447 1.967 1
1 1201 . 12 1 1 A 99 99 GLU H H 99 8.418 7.964 0.454 1
1 1202 . 12 1 1 A 99 99 GLU HA H 99 4.299 4.071 0.228 1
1 1207 . 12 1 1 A 99 99 GLU C C 99 177.021 178.820 -1.799 1
1 1208 . 12 1 1 A 99 99 GLU CA C 99 57.397 59.385 -1.988 1
1 1209 . 12 1 1 A 99 99 GLU CB C 99 30.309 29.139 1.170 1
1 1211 . 12 1 1 A 99 99 GLU N N 99 121.312 119.920 1.392 1
1 1212 . 12 1 1 A 100 100 ARG H H 100 8.013 8.388 -0.375 1
1 1213 . 12 1 1 A 100 100 ARG HA H 100 4.180 4.061 0.119 1
1 1225 . 12 1 1 A 100 100 ARG C C 100 176.313 177.687 -1.374 1
1 1226 . 12 1 1 A 100 100 ARG CA C 100 57.238 59.396 -2.158 1
1 1227 . 12 1 1 A 100 100 ARG CB C 100 30.298 29.864 0.434 1
1 1230 . 12 1 1 A 100 100 ARG N N 100 121.871 119.615 2.256 1
1 1232 . 12 1 1 A 101 101 ARG H H 101 8.260 7.334 0.926 1
1 1233 . 12 1 1 A 101 101 ARG HA H 101 4.260 4.444 -0.184 1
1 1245 . 12 1 1 A 101 101 ARG C C 101 176.753 176.753 0.000 1
1 1246 . 12 1 1 A 101 101 ARG CA C 101 56.492 55.455 1.037 1
1 1247 . 12 1 1 A 101 101 ARG CB C 101 30.838 30.955 -0.117 1
1 1250 . 12 1 1 A 101 101 ARG N N 101 122.019 115.759 6.260 1
1 1252 . 12 1 1 A 102 102 GLY H H 102 8.380 8.646 -0.266 1
1 1253 . 12 1 1 A 102 102 GLY HA2 H 102 3.849 3.887 -0.038 1
1 1254 . 12 1 1 A 102 102 GLY HA3 H 102 3.849 3.894 -0.045 1
1 1255 . 12 1 1 A 102 102 GLY C C 102 173.145 173.318 -0.173 1
1 1256 . 12 1 1 A 102 102 GLY CA C 102 45.401 46.047 -0.646 1
1 1257 . 12 1 1 A 102 102 GLY N N 102 110.110 108.249 1.861 1
1 9 . 13 1 1 A 2 2 ALA H H 2 8.742 7.599 1.143 1
1 10 . 13 1 1 A 2 2 ALA HA H 2 4.302 4.088 0.214 1
1 14 . 13 1 1 A 2 2 ALA C C 2 177.216 177.692 -0.476 1
1 15 . 13 1 1 A 2 2 ALA CA C 2 52.876 54.172 -1.296 1
1 16 . 13 1 1 A 2 2 ALA CB C 2 19.182 19.299 -0.117 1
1 17 . 13 1 1 A 2 2 ALA N N 2 124.657 122.027 2.630 1
1 18 . 13 1 1 A 3 3 ASP H H 3 8.432 7.936 0.496 1
1 19 . 13 1 1 A 3 3 ASP HA H 3 4.530 4.196 0.334 1
1 22 . 13 1 1 A 3 3 ASP C C 3 176.023 176.462 -0.439 1
1 23 . 13 1 1 A 3 3 ASP CA C 3 53.721 56.781 -3.060 1
1 24 . 13 1 1 A 3 3 ASP CB C 3 38.752 38.696 0.056 1
1 25 . 13 1 1 A 3 3 ASP N N 3 118.729 114.279 4.450 1
1 26 . 13 1 1 A 4 4 HIS H H 4 8.549 8.931 -0.382 1
1 27 . 13 1 1 A 4 4 HIS HA H 4 4.568 4.316 0.252 1
1 32 . 13 1 1 A 4 4 HIS C C 4 175.101 177.136 -2.035 1
1 33 . 13 1 1 A 4 4 HIS CA C 4 56.640 59.001 -2.361 1
1 34 . 13 1 1 A 4 4 HIS CB C 4 28.961 28.843 0.118 1
1 37 . 13 1 1 A 4 4 HIS N N 4 119.650 117.802 1.848 1
1 38 . 13 1 1 A 5 5 GLU H H 5 8.330 7.893 0.437 1
1 39 . 13 1 1 A 5 5 GLU HA H 5 4.207 3.813 0.394 1
1 44 . 13 1 1 A 5 5 GLU C C 5 175.749 178.809 -3.060 1
1 45 . 13 1 1 A 5 5 GLU CA C 5 56.594 59.695 -3.101 1
1 46 . 13 1 1 A 5 5 GLU CB C 5 29.285 29.264 0.021 1
1 48 . 13 1 1 A 5 5 GLU N N 5 120.937 120.804 0.133 1
1 49 . 13 1 1 A 6 6 ARG H H 6 8.325 7.920 0.405 1
1 50 . 13 1 1 A 6 6 ARG HA H 6 4.571 4.079 0.492 1
1 62 . 13 1 1 A 6 6 ARG C C 6 177.578 178.903 -1.325 1
1 63 . 13 1 1 A 6 6 ARG CA C 6 56.716 59.576 -2.860 1
1 64 . 13 1 1 A 6 6 ARG CB C 6 30.744 30.008 0.736 1
1 67 . 13 1 1 A 6 6 ARG N N 6 120.267 119.269 0.998 1
1 69 . 13 1 1 A 7 7 GLU H H 7 8.136 8.187 -0.051 1
1 70 . 13 1 1 A 7 7 GLU HA H 7 4.165 4.109 0.056 1
1 75 . 13 1 1 A 7 7 GLU C C 7 177.156 178.796 -1.640 1
1 76 . 13 1 1 A 7 7 GLU CA C 7 57.125 59.137 -2.012 1
1 77 . 13 1 1 A 7 7 GLU CB C 7 30.149 29.262 0.887 1
1 79 . 13 1 1 A 7 7 GLU N N 7 121.008 118.769 2.239 1
1 80 . 13 1 1 A 8 8 ALA H H 8 8.325 8.024 0.301 1
1 81 . 13 1 1 A 8 8 ALA HA H 8 4.212 4.038 0.174 1
1 85 . 13 1 1 A 8 8 ALA C C 8 178.913 179.784 -0.871 1
1 86 . 13 1 1 A 8 8 ALA CA C 8 52.832 55.359 -2.527 1
1 87 . 13 1 1 A 8 8 ALA CB C 8 18.909 18.215 0.694 1
1 88 . 13 1 1 A 8 8 ALA N N 8 124.538 122.144 2.394 1
1 89 . 13 1 1 A 9 9 GLN H H 9 8.159 7.802 0.357 1
1 90 . 13 1 1 A 9 9 GLN HA H 9 4.140 4.016 0.124 1
1 97 . 13 1 1 A 9 9 GLN C C 9 175.771 178.768 -2.997 1
1 98 . 13 1 1 A 9 9 GLN CA C 9 57.655 58.400 -0.745 1
1 99 . 13 1 1 A 9 9 GLN CB C 9 28.606 28.323 0.283 1
1 101 . 13 1 1 A 9 9 GLN N N 9 124.103 117.162 6.941 1
1 103 . 13 1 1 A 10 10 LYS H H 10 8.148 8.022 0.126 1
1 104 . 13 1 1 A 10 10 LYS HA H 10 4.204 4.071 0.133 1
1 113 . 13 1 1 A 10 10 LYS C C 10 177.798 178.544 -0.746 1
1 114 . 13 1 1 A 10 10 LYS CA C 10 57.139 58.559 -1.420 1
1 115 . 13 1 1 A 10 10 LYS CB C 10 33.040 32.199 0.841 1
1 119 . 13 1 1 A 10 10 LYS N N 10 120.635 121.246 -0.611 1
1 120 . 13 1 1 A 11 11 ALA H H 11 8.148 8.103 0.045 1
1 121 . 13 1 1 A 11 11 ALA HA H 11 4.140 4.011 0.129 1
1 125 . 13 1 1 A 11 11 ALA C C 11 178.173 179.882 -1.709 1
1 126 . 13 1 1 A 11 11 ALA CA C 11 53.351 54.946 -1.595 1
1 127 . 13 1 1 A 11 11 ALA CB C 11 19.128 18.315 0.813 1
1 128 . 13 1 1 A 11 11 ALA N N 11 123.171 121.615 1.556 1
1 129 . 13 1 1 A 12 12 GLU H H 12 8.248 7.878 0.370 1
1 130 . 13 1 1 A 12 12 GLU HA H 12 4.222 3.933 0.289 1
1 135 . 13 1 1 A 12 12 GLU C C 12 176.385 179.091 -2.706 1
1 136 . 13 1 1 A 12 12 GLU CA C 12 57.442 59.437 -1.995 1
1 137 . 13 1 1 A 12 12 GLU CB C 12 30.001 29.034 0.967 1
1 139 . 13 1 1 A 12 12 GLU N N 12 119.451 118.125 1.326 1
1 140 . 13 1 1 A 13 13 GLU H H 13 8.372 7.636 0.736 1
1 141 . 13 1 1 A 13 13 GLU HA H 13 4.265 4.069 0.196 1
1 146 . 13 1 1 A 13 13 GLU C C 13 178.060 178.884 -0.824 1
1 147 . 13 1 1 A 13 13 GLU CA C 13 56.828 59.304 -2.476 1
1 148 . 13 1 1 A 13 13 GLU CB C 13 30.082 29.158 0.924 1
1 150 . 13 1 1 A 13 13 GLU N N 13 121.080 120.003 1.077 1
1 151 . 13 1 1 A 14 14 GLU H H 14 8.152 7.774 0.378 1
1 152 . 13 1 1 A 14 14 GLU HA H 14 4.142 4.035 0.107 1
1 157 . 13 1 1 A 14 14 GLU C C 14 176.274 178.663 -2.389 1
1 158 . 13 1 1 A 14 14 GLU CA C 14 56.892 59.159 -2.267 1
1 159 . 13 1 1 A 14 14 GLU CB C 14 28.169 29.218 -1.049 1
1 161 . 13 1 1 A 14 14 GLU N N 14 120.236 119.874 0.362 1
1 162 . 13 1 1 A 15 15 LEU H H 15 8.301 7.774 0.527 1
1 163 . 13 1 1 A 15 15 LEU HA H 15 4.224 4.057 0.167 1
1 173 . 13 1 1 A 15 15 LEU C C 15 177.983 178.811 -0.828 1
1 174 . 13 1 1 A 15 15 LEU CA C 15 56.344 57.621 -1.277 1
1 175 . 13 1 1 A 15 15 LEU CB C 15 42.250 41.893 0.357 1
1 179 . 13 1 1 A 15 15 LEU N N 15 123.072 121.017 2.055 1
1 180 . 13 1 1 A 16 16 GLN H H 16 8.132 7.987 0.145 1
1 181 . 13 1 1 A 16 16 GLN HA H 16 4.145 4.053 0.092 1
1 188 . 13 1 1 A 16 16 GLN C C 16 177.674 179.188 -1.514 1
1 189 . 13 1 1 A 16 16 GLN CA C 16 57.971 59.204 -1.233 1
1 190 . 13 1 1 A 16 16 GLN CB C 16 29.889 27.916 1.973 1
1 192 . 13 1 1 A 16 16 GLN N N 16 119.160 118.114 1.046 1
1 194 . 13 1 1 A 17 17 LYS H H 17 8.214 7.428 0.786 1
1 195 . 13 1 1 A 17 17 LYS HA H 17 4.140 4.189 -0.049 1
1 204 . 13 1 1 A 17 17 LYS C C 17 177.646 178.837 -1.191 1
1 205 . 13 1 1 A 17 17 LYS CA C 17 57.115 58.761 -1.646 1
1 206 . 13 1 1 A 17 17 LYS CB C 17 32.833 32.559 0.274 1
1 210 . 13 1 1 A 17 17 LYS N N 17 120.310 121.456 -1.146 1
1 211 . 13 1 1 A 18 18 VAL H H 18 7.871 7.433 0.438 1
1 212 . 13 1 1 A 18 18 VAL HA H 18 4.108 3.639 0.469 1
1 220 . 13 1 1 A 18 18 VAL C C 18 177.476 178.253 -0.777 1
1 221 . 13 1 1 A 18 18 VAL CA C 18 63.634 66.186 -2.552 1
1 222 . 13 1 1 A 18 18 VAL CB C 18 31.886 31.450 0.436 1
1 225 . 13 1 1 A 18 18 VAL N N 18 120.571 120.299 0.272 1
1 226 . 13 1 1 A 19 19 LEU H H 19 8.180 7.885 0.295 1
1 227 . 13 1 1 A 19 19 LEU HA H 19 4.042 3.962 0.080 1
1 237 . 13 1 1 A 19 19 LEU C C 19 179.462 179.600 -0.138 1
1 238 . 13 1 1 A 19 19 LEU CA C 19 57.653 58.142 -0.489 1
1 239 . 13 1 1 A 19 19 LEU CB C 19 41.800 41.073 0.727 1
1 243 . 13 1 1 A 19 19 LEU N N 19 122.936 120.466 2.470 1
1 244 . 13 1 1 A 20 20 GLU H H 20 8.122 7.769 0.353 1
1 245 . 13 1 1 A 20 20 GLU HA H 20 4.156 4.073 0.083 1
1 250 . 13 1 1 A 20 20 GLU C C 20 178.001 179.499 -1.498 1
1 251 . 13 1 1 A 20 20 GLU CA C 20 58.045 59.745 -1.700 1
1 252 . 13 1 1 A 20 20 GLU CB C 20 30.092 29.235 0.857 1
1 254 . 13 1 1 A 20 20 GLU N N 20 118.745 119.002 -0.257 1
1 255 . 13 1 1 A 21 21 GLU H H 21 8.190 7.815 0.375 1
1 256 . 13 1 1 A 21 21 GLU HA H 21 4.144 4.049 0.095 1
1 261 . 13 1 1 A 21 21 GLU C C 21 177.290 179.069 -1.779 1
1 262 . 13 1 1 A 21 21 GLU CA C 21 58.109 59.073 -0.964 1
1 263 . 13 1 1 A 21 21 GLU CB C 21 29.868 29.991 -0.123 1
1 265 . 13 1 1 A 21 21 GLU N N 21 119.542 120.638 -1.096 1
1 266 . 13 1 1 A 22 22 ALA H H 22 8.092 8.696 -0.604 1
1 267 . 13 1 1 A 22 22 ALA HA H 22 4.173 4.179 -0.006 1
1 271 . 13 1 1 A 22 22 ALA C C 22 179.020 180.124 -1.104 1
1 272 . 13 1 1 A 22 22 ALA CA C 22 53.944 55.273 -1.329 1
1 273 . 13 1 1 A 22 22 ALA CB C 22 18.578 18.370 0.208 1
1 274 . 13 1 1 A 22 22 ALA N N 22 123.378 123.546 -0.168 1
1 275 . 13 1 1 A 23 23 SER H H 23 8.079 8.282 -0.203 1
1 276 . 13 1 1 A 23 23 SER HA H 23 4.300 4.277 0.023 1
1 279 . 13 1 1 A 23 23 SER C C 23 173.125 176.706 -3.581 1
1 280 . 13 1 1 A 23 23 SER CA C 23 59.414 61.552 -2.138 1
1 281 . 13 1 1 A 23 23 SER CB C 23 63.520 62.540 0.980 1
1 282 . 13 1 1 A 23 23 SER N N 23 114.637 113.031 1.606 1
1 283 . 13 1 1 A 24 24 LYS H H 24 8.032 7.561 0.471 1
1 284 . 13 1 1 A 24 24 LYS HA H 24 4.325 4.093 0.232 1
1 293 . 13 1 1 A 24 24 LYS C C 24 175.423 178.811 -3.388 1
1 294 . 13 1 1 A 24 24 LYS CA C 24 57.273 59.380 -2.107 1
1 295 . 13 1 1 A 24 24 LYS CB C 24 31.200 32.469 -1.269 1
1 299 . 13 1 1 A 24 24 LYS N N 24 122.635 121.518 1.117 1
1 300 . 13 1 1 A 25 25 LYS H H 25 8.042 8.266 -0.224 1
1 301 . 13 1 1 A 25 25 LYS HA H 25 4.169 4.051 0.118 1
1 310 . 13 1 1 A 25 25 LYS C C 25 177.025 179.027 -2.002 1
1 311 . 13 1 1 A 25 25 LYS CA C 25 56.876 59.675 -2.799 1
1 312 . 13 1 1 A 25 25 LYS CB C 25 31.200 32.358 -1.158 1
1 316 . 13 1 1 A 25 25 LYS N N 25 121.079 119.334 1.745 1
1 317 . 13 1 1 A 26 26 ALA H H 26 8.103 8.236 -0.133 1
1 318 . 13 1 1 A 26 26 ALA HA H 26 4.196 3.920 0.276 1
1 322 . 13 1 1 A 26 26 ALA C C 26 178.418 179.554 -1.136 1
1 323 . 13 1 1 A 26 26 ALA CA C 26 53.049 54.972 -1.923 1
1 324 . 13 1 1 A 26 26 ALA CB C 26 19.055 18.492 0.563 1
1 325 . 13 1 1 A 26 26 ALA N N 26 124.589 121.988 2.601 1
1 326 . 13 1 1 A 27 27 VAL H H 27 8.030 8.160 -0.130 1
1 327 . 13 1 1 A 27 27 VAL HA H 27 3.945 3.537 0.408 1
1 335 . 13 1 1 A 27 27 VAL C C 27 179.177 177.426 1.751 1
1 336 . 13 1 1 A 27 27 VAL CA C 27 63.001 64.643 -1.642 1
1 337 . 13 1 1 A 27 27 VAL CB C 27 32.449 30.779 1.670 1
1 340 . 13 1 1 A 27 27 VAL N N 27 119.340 116.745 2.595 1
1 341 . 13 1 1 A 28 28 GLU H H 28 8.187 8.083 0.104 1
1 342 . 13 1 1 A 28 28 GLU HA H 28 4.166 4.146 0.020 1
1 347 . 13 1 1 A 28 28 GLU C C 28 176.411 178.606 -2.195 1
1 348 . 13 1 1 A 28 28 GLU CA C 28 57.290 58.654 -1.364 1
1 349 . 13 1 1 A 28 28 GLU CB C 28 30.025 29.318 0.707 1
1 351 . 13 1 1 A 28 28 GLU N N 28 120.351 121.573 -1.222 1
1 352 . 13 1 1 A 29 29 ALA H H 29 8.173 7.716 0.457 1
1 353 . 13 1 1 A 29 29 ALA HA H 29 4.230 4.085 0.145 1
1 357 . 13 1 1 A 29 29 ALA C C 29 176.924 179.654 -2.730 1
1 358 . 13 1 1 A 29 29 ALA CA C 29 53.338 55.116 -1.778 1
1 359 . 13 1 1 A 29 29 ALA CB C 29 18.964 18.869 0.095 1
1 360 . 13 1 1 A 29 29 ALA N N 29 124.463 122.613 1.850 1
1 361 . 13 1 1 A 30 30 GLU H H 30 8.239 8.638 -0.399 1
1 362 . 13 1 1 A 30 30 GLU HA H 30 4.251 4.030 0.221 1
1 367 . 13 1 1 A 30 30 GLU C C 30 175.016 177.313 -2.297 1
1 368 . 13 1 1 A 30 30 GLU CA C 30 58.033 58.651 -0.618 1
1 369 . 13 1 1 A 30 30 GLU CB C 30 29.996 29.288 0.708 1
1 371 . 13 1 1 A 30 30 GLU N N 30 122.971 118.953 4.018 1
1 372 . 13 1 1 A 31 31 ARG H H 31 8.261 7.607 0.654 1
1 373 . 13 1 1 A 31 31 ARG HA H 31 4.255 4.117 0.138 1
1 385 . 13 1 1 A 31 31 ARG C C 31 176.727 177.014 -0.287 1
1 386 . 13 1 1 A 31 31 ARG CA C 31 56.565 57.857 -1.292 1
1 387 . 13 1 1 A 31 31 ARG CB C 31 30.783 29.722 1.061 1
1 390 . 13 1 1 A 31 31 ARG N N 31 121.894 119.147 2.747 1
1 392 . 13 1 1 A 32 32 GLY H H 32 8.302 8.824 -0.522 1
1 393 . 13 1 1 A 32 32 GLY HA2 H 32 3.852 4.006 -0.154 1
1 394 . 13 1 1 A 32 32 GLY HA3 H 32 3.852 4.008 -0.156 1
1 395 . 13 1 1 A 32 32 GLY C C 32 173.994 174.650 -0.656 1
1 396 . 13 1 1 A 32 32 GLY CA C 32 45.077 45.048 0.029 1
1 397 . 13 1 1 A 32 32 GLY N N 32 109.773 112.297 -2.524 1
1 398 . 13 1 1 A 33 33 ALA H H 33 8.011 7.917 0.094 1
1 399 . 13 1 1 A 33 33 ALA HA H 33 4.212 4.553 -0.341 1
1 403 . 13 1 1 A 33 33 ALA CA C 33 50.522 50.635 -0.113 1
1 404 . 13 1 1 A 33 33 ALA CB C 33 18.962 19.581 -0.619 1
1 405 . 13 1 1 A 33 33 ALA N N 33 123.601 123.844 -0.243 1
1 406 . 13 1 1 A 34 34 PRO HA H 34 4.352 4.337 0.015 1
1 413 . 13 1 1 A 34 34 PRO C C 34 177.746 177.749 -0.003 1
1 414 . 13 1 1 A 34 34 PRO CA C 34 63.520 63.836 -0.316 1
1 415 . 13 1 1 A 34 34 PRO CB C 34 31.938 31.363 0.575 1
1 418 . 13 1 1 A 35 35 GLY H H 35 8.433 8.811 -0.378 1
1 419 . 13 1 1 A 35 35 GLY HA2 H 35 3.848 3.995 -0.147 1
1 420 . 13 1 1 A 35 35 GLY HA3 H 35 3.848 4.015 -0.167 1
1 421 . 13 1 1 A 35 35 GLY C C 35 173.266 175.549 -2.283 1
1 422 . 13 1 1 A 35 35 GLY CA C 35 45.405 45.663 -0.258 1
1 423 . 13 1 1 A 35 35 GLY N N 35 109.298 113.055 -3.757 1
1 424 . 13 1 1 A 36 36 ALA H H 36 8.095 8.159 -0.064 1
1 425 . 13 1 1 A 36 36 ALA HA H 36 4.196 3.887 0.309 1
1 429 . 13 1 1 A 36 36 ALA C C 36 177.944 177.646 0.298 1
1 430 . 13 1 1 A 36 36 ALA CA C 36 52.551 55.052 -2.501 1
1 431 . 13 1 1 A 36 36 ALA CB C 36 19.485 18.793 0.692 1
1 432 . 13 1 1 A 36 36 ALA N N 36 124.605 124.316 0.289 1
1 433 . 13 1 1 A 37 37 ALA H H 37 8.199 7.762 0.437 1
1 434 . 13 1 1 A 37 37 ALA HA H 37 4.491 3.874 0.617 1
1 438 . 13 1 1 A 37 37 ALA C C 37 177.456 176.007 1.449 1
1 439 . 13 1 1 A 37 37 ALA CA C 37 52.453 54.462 -2.009 1
1 440 . 13 1 1 A 37 37 ALA CB C 37 19.060 16.690 2.370 1
1 441 . 13 1 1 A 37 37 ALA N N 37 123.695 117.571 6.124 1
1 442 . 13 1 1 A 38 38 LEU H H 38 8.099 7.272 0.827 1
1 443 . 13 1 1 A 38 38 LEU HA H 38 4.243 4.488 -0.245 1
1 453 . 13 1 1 A 38 38 LEU C C 38 177.358 176.277 1.081 1
1 454 . 13 1 1 A 38 38 LEU CA C 38 55.218 54.186 1.032 1
1 455 . 13 1 1 A 38 38 LEU CB C 38 42.228 42.928 -0.700 1
1 459 . 13 1 1 A 38 38 LEU N N 38 121.531 118.980 2.551 1
1 460 . 13 1 1 A 39 39 ILE H H 39 7.966 8.759 -0.793 1
1 461 . 13 1 1 A 39 39 ILE HA H 39 4.136 4.444 -0.308 1
1 471 . 13 1 1 A 39 39 ILE C C 39 175.586 175.103 0.483 1
1 472 . 13 1 1 A 39 39 ILE CA C 39 60.873 60.467 0.406 1
1 473 . 13 1 1 A 39 39 ILE CB C 39 38.727 39.810 -1.083 1
1 477 . 13 1 1 A 39 39 ILE N N 39 121.669 122.045 -0.376 1
1 478 . 13 1 1 A 40 40 SER H H 40 8.101 7.737 0.364 1
1 479 . 13 1 1 A 40 40 SER HA H 40 4.347 4.894 -0.547 1
1 482 . 13 1 1 A 40 40 SER C C 40 173.336 173.399 -0.063 1
1 483 . 13 1 1 A 40 40 SER CA C 40 57.331 56.935 0.396 1
1 484 . 13 1 1 A 40 40 SER CB C 40 63.983 65.410 -1.427 1
1 485 . 13 1 1 A 40 40 SER N N 40 119.591 117.426 2.165 1
1 486 . 13 1 1 A 41 41 TYR H H 41 8.100 9.415 -1.315 1
1 487 . 13 1 1 A 41 41 TYR HA H 41 4.436 4.228 0.208 1
1 494 . 13 1 1 A 41 41 TYR CA C 41 56.067 61.281 -5.214 1
1 495 . 13 1 1 A 41 41 TYR CB C 41 38.244 38.533 -0.289 1
1 496 . 13 1 1 A 41 41 TYR N N 41 122.744 123.794 -1.050 1
1 497 . 13 1 1 A 42 42 PRO HA H 42 4.281 4.297 -0.016 1
1 504 . 13 1 1 A 42 42 PRO C C 42 176.765 177.410 -0.645 1
1 505 . 13 1 1 A 42 42 PRO CA C 42 63.650 65.125 -1.475 1
1 506 . 13 1 1 A 42 42 PRO CB C 42 30.513 31.169 -0.656 1
1 509 . 13 1 1 A 43 43 ASP H H 43 8.305 8.491 -0.186 1
1 510 . 13 1 1 A 43 43 ASP HA H 43 4.548 4.430 0.118 1
1 513 . 13 1 1 A 43 43 ASP C C 43 175.135 178.591 -3.456 1
1 514 . 13 1 1 A 43 43 ASP CA C 43 53.570 55.852 -2.282 1
1 515 . 13 1 1 A 43 43 ASP CB C 43 38.450 40.532 -2.082 1
1 516 . 13 1 1 A 43 43 ASP N N 43 118.052 117.574 0.478 1
1 517 . 13 1 1 A 44 44 ALA H H 44 8.013 7.968 0.045 1
1 518 . 13 1 1 A 44 44 ALA HA H 44 4.106 4.200 -0.094 1
1 522 . 13 1 1 A 44 44 ALA C C 44 177.969 179.835 -1.866 1
1 523 . 13 1 1 A 44 44 ALA CA C 44 52.867 55.012 -2.145 1
1 524 . 13 1 1 A 44 44 ALA CB C 44 19.023 18.454 0.569 1
1 525 . 13 1 1 A 44 44 ALA N N 44 123.344 122.142 1.202 1
1 526 . 13 1 1 A 45 45 ILE H H 45 7.860 8.136 -0.276 1
1 527 . 13 1 1 A 45 45 ILE HA H 45 3.855 4.258 -0.403 1
1 537 . 13 1 1 A 45 45 ILE C C 45 176.287 177.951 -1.664 1
1 538 . 13 1 1 A 45 45 ILE CA C 45 61.465 63.476 -2.011 1
1 539 . 13 1 1 A 45 45 ILE CB C 45 38.294 37.907 0.387 1
1 543 . 13 1 1 A 45 45 ILE N N 45 118.636 119.191 -0.555 1
1 544 . 13 1 1 A 46 46 TRP H H 46 7.646 8.179 -0.533 1
1 545 . 13 1 1 A 46 46 TRP HA H 46 4.504 4.271 0.233 1
1 554 . 13 1 1 A 46 46 TRP C C 46 176.136 179.311 -3.175 1
1 555 . 13 1 1 A 46 46 TRP CA C 46 57.139 60.343 -3.204 1
1 556 . 13 1 1 A 46 46 TRP CB C 46 28.880 29.714 -0.834 1
1 558 . 13 1 1 A 46 46 TRP N N 46 122.947 122.396 0.551 1
1 560 . 13 1 1 A 47 47 TRP H H 47 7.502 8.157 -0.655 1
1 561 . 13 1 1 A 47 47 TRP HA H 47 4.482 4.333 0.149 1
1 570 . 13 1 1 A 47 47 TRP C C 47 176.149 178.591 -2.442 1
1 571 . 13 1 1 A 47 47 TRP CA C 47 57.197 61.011 -3.814 1
1 572 . 13 1 1 A 47 47 TRP CB C 47 29.703 29.591 0.112 1
1 573 . 13 1 1 A 47 47 TRP N N 47 120.943 122.197 -1.254 1
1 575 . 13 1 1 A 48 48 SER H H 48 7.861 8.411 -0.550 1
1 576 . 13 1 1 A 48 48 SER HA H 48 4.258 3.870 0.388 1
1 579 . 13 1 1 A 48 48 SER C C 48 174.600 177.486 -2.886 1
1 580 . 13 1 1 A 48 48 SER CA C 48 57.844 61.440 -3.596 1
1 581 . 13 1 1 A 48 48 SER CB C 48 64.102 62.764 1.338 1
1 582 . 13 1 1 A 48 48 SER N N 48 116.339 114.325 2.014 1
1 583 . 13 1 1 A 49 49 VAL H H 49 7.921 7.983 -0.062 1
1 584 . 13 1 1 A 49 49 VAL HA H 49 3.990 3.505 0.485 1
1 592 . 13 1 1 A 49 49 VAL C C 49 176.402 177.818 -1.416 1
1 593 . 13 1 1 A 49 49 VAL CA C 49 62.909 66.857 -3.948 1
1 594 . 13 1 1 A 49 49 VAL CB C 49 32.467 31.568 0.899 1
1 597 . 13 1 1 A 49 49 VAL N N 49 121.079 122.980 -1.901 1
1 598 . 13 1 1 A 50 50 GLU H H 50 8.229 7.854 0.375 1
1 599 . 13 1 1 A 50 50 GLU HA H 50 4.307 4.213 0.094 1
1 604 . 13 1 1 A 50 50 GLU C C 50 176.506 178.620 -2.114 1
1 605 . 13 1 1 A 50 50 GLU CA C 50 57.040 58.653 -1.613 1
1 606 . 13 1 1 A 50 50 GLU CB C 50 30.123 28.178 1.945 1
1 608 . 13 1 1 A 50 50 GLU N N 50 122.433 119.585 2.848 1
1 609 . 13 1 1 A 51 51 THR H H 51 7.993 7.292 0.701 1
1 610 . 13 1 1 A 51 51 THR HA H 51 4.248 3.697 0.551 1
1 615 . 13 1 1 A 51 51 THR C C 51 174.430 176.269 -1.839 1
1 616 . 13 1 1 A 51 51 THR CA C 51 62.227 66.413 -4.186 1
1 617 . 13 1 1 A 51 51 THR CB C 51 69.712 68.047 1.665 1
1 619 . 13 1 1 A 51 51 THR N N 51 114.413 116.101 -1.688 1
1 620 . 13 1 1 A 52 52 ALA H H 52 8.160 7.924 0.236 1
1 621 . 13 1 1 A 52 52 ALA HA H 52 4.212 4.174 0.038 1
1 625 . 13 1 1 A 52 52 ALA C C 52 177.976 179.147 -1.171 1
1 626 . 13 1 1 A 52 52 ALA CA C 52 53.069 54.593 -1.524 1
1 627 . 13 1 1 A 52 52 ALA CB C 52 19.178 18.215 0.963 1
1 628 . 13 1 1 A 52 52 ALA N N 52 125.641 123.600 2.041 1
1 629 . 13 1 1 A 53 53 THR H H 53 8.022 7.272 0.750 1
1 630 . 13 1 1 A 53 53 THR HA H 53 4.231 4.510 -0.279 1
1 635 . 13 1 1 A 53 53 THR C C 53 174.750 174.812 -0.062 1
1 636 . 13 1 1 A 53 53 THR CA C 53 62.231 62.111 0.120 1
1 637 . 13 1 1 A 53 53 THR CB C 53 69.726 69.334 0.392 1
1 639 . 13 1 1 A 53 53 THR N N 53 112.100 108.145 3.955 1
1 640 . 13 1 1 A 54 54 THR H H 54 7.999 8.090 -0.091 1
1 641 . 13 1 1 A 54 54 THR HA H 54 4.303 3.976 0.327 1
1 646 . 13 1 1 A 54 54 THR C C 54 174.592 173.887 0.705 1
1 647 . 13 1 1 A 54 54 THR CA C 54 62.002 63.157 -1.155 1
1 648 . 13 1 1 A 54 54 THR CB C 54 69.793 66.528 3.265 1
1 650 . 13 1 1 A 54 54 THR N N 54 116.238 115.337 0.901 1
1 651 . 13 1 1 A 55 55 VAL H H 55 8.098 8.086 0.012 1
1 652 . 13 1 1 A 55 55 VAL HA H 55 4.017 3.929 0.088 1
1 660 . 13 1 1 A 55 55 VAL C C 55 176.453 176.968 -0.515 1
1 661 . 13 1 1 A 55 55 VAL CA C 55 62.650 63.872 -1.222 1
1 662 . 13 1 1 A 55 55 VAL CB C 55 32.524 32.041 0.483 1
1 665 . 13 1 1 A 55 55 VAL N N 55 122.445 119.480 2.965 1
1 666 . 13 1 1 A 56 56 GLY H H 56 8.308 7.969 0.339 1
1 667 . 13 1 1 A 56 56 GLY HA2 H 56 3.839 3.901 -0.062 1
1 668 . 13 1 1 A 56 56 GLY HA3 H 56 4.019 3.905 0.114 1
1 669 . 13 1 1 A 56 56 GLY C C 56 173.958 174.776 -0.818 1
1 670 . 13 1 1 A 56 56 GLY CA C 56 45.216 46.538 -1.322 1
1 671 . 13 1 1 A 56 56 GLY N N 56 112.118 108.451 3.667 1
1 672 . 13 1 1 A 57 57 TYR H H 57 8.051 8.133 -0.082 1
1 673 . 13 1 1 A 57 57 TYR HA H 57 4.402 4.370 0.032 1
1 680 . 13 1 1 A 57 57 TYR C C 57 176.557 175.788 0.769 1
1 681 . 13 1 1 A 57 57 TYR CA C 57 58.251 60.931 -2.680 1
1 682 . 13 1 1 A 57 57 TYR CB C 57 38.935 39.075 -0.140 1
1 683 . 13 1 1 A 57 57 TYR N N 57 120.259 121.717 -1.458 1
1 684 . 13 1 1 A 58 58 GLY H H 58 8.335 7.951 0.384 1
1 685 . 13 1 1 A 58 58 GLY HA2 H 58 3.801 4.183 -0.382 1
1 686 . 13 1 1 A 58 58 GLY HA3 H 58 3.801 4.196 -0.395 1
1 687 . 13 1 1 A 58 58 GLY C C 58 173.911 175.469 -1.558 1
1 688 . 13 1 1 A 58 58 GLY CA C 58 45.311 45.244 0.067 1
1 689 . 13 1 1 A 58 58 GLY N N 58 110.220 107.028 3.192 1
1 690 . 13 1 1 A 59 59 ASP H H 59 8.161 8.388 -0.227 1
1 691 . 13 1 1 A 59 59 ASP HA H 59 4.581 4.419 0.162 1
1 694 . 13 1 1 A 59 59 ASP C C 59 175.189 176.529 -1.340 1
1 695 . 13 1 1 A 59 59 ASP CA C 59 53.570 57.149 -3.579 1
1 696 . 13 1 1 A 59 59 ASP CB C 59 38.750 41.521 -2.771 1
1 697 . 13 1 1 A 59 59 ASP N N 59 118.765 120.492 -1.727 1
1 698 . 13 1 1 A 60 60 ARG H H 60 8.086 7.854 0.232 1
1 699 . 13 1 1 A 60 60 ARG HA H 60 4.152 4.697 -0.545 1
1 711 . 13 1 1 A 60 60 ARG C C 60 176.603 174.702 1.901 1
1 712 . 13 1 1 A 60 60 ARG CA C 60 56.825 54.630 2.195 1
1 713 . 13 1 1 A 60 60 ARG CB C 60 30.935 35.426 -4.491 1
1 716 . 13 1 1 A 60 60 ARG N N 60 120.762 117.202 3.560 1
1 718 . 13 1 1 A 61 61 TYR H H 61 8.117 8.434 -0.317 1
1 719 . 13 1 1 A 61 61 TYR HA H 61 4.488 5.320 -0.832 1
1 726 . 13 1 1 A 61 61 TYR CA C 61 56.688 55.673 1.015 1
1 727 . 13 1 1 A 61 61 TYR CB C 61 39.582 39.906 -0.324 1
1 728 . 13 1 1 A 61 61 TYR N N 61 121.714 118.672 3.042 1
1 729 . 13 1 1 A 62 62 PRO HA H 62 4.383 4.648 -0.265 1
1 736 . 13 1 1 A 62 62 PRO C C 62 177.441 176.349 1.092 1
1 737 . 13 1 1 A 62 62 PRO CA C 62 63.212 62.228 0.984 1
1 738 . 13 1 1 A 62 62 PRO CB C 62 31.939 33.260 -1.321 1
1 741 . 13 1 1 A 63 63 VAL H H 63 8.217 7.853 0.364 1
1 742 . 13 1 1 A 63 63 VAL HA H 63 4.164 4.838 -0.674 1
1 750 . 13 1 1 A 63 63 VAL C C 63 176.576 176.187 0.389 1
1 751 . 13 1 1 A 63 63 VAL CA C 63 62.382 59.903 2.479 1
1 752 . 13 1 1 A 63 63 VAL CB C 63 32.862 33.963 -1.101 1
1 755 . 13 1 1 A 63 63 VAL N N 63 120.316 116.411 3.905 1
1 756 . 13 1 1 A 64 64 THR H H 64 8.084 8.652 -0.568 1
1 757 . 13 1 1 A 64 64 THR HA H 64 4.313 4.019 0.294 1
1 762 . 13 1 1 A 64 64 THR C C 64 174.558 176.436 -1.878 1
1 763 . 13 1 1 A 64 64 THR CA C 64 62.606 65.478 -2.872 1
1 764 . 13 1 1 A 64 64 THR CB C 64 70.496 68.519 1.977 1
1 766 . 13 1 1 A 64 64 THR N N 64 116.779 114.543 2.236 1
1 767 . 13 1 1 A 65 65 GLU H H 65 8.404 8.483 -0.079 1
1 768 . 13 1 1 A 65 65 GLU HA H 65 4.314 3.991 0.323 1
1 773 . 13 1 1 A 65 65 GLU C C 65 175.016 178.968 -3.952 1
1 774 . 13 1 1 A 65 65 GLU CA C 65 57.750 58.898 -1.148 1
1 775 . 13 1 1 A 65 65 GLU CB C 65 30.083 29.325 0.758 1
1 777 . 13 1 1 A 65 65 GLU N N 65 122.323 122.107 0.216 1
1 778 . 13 1 1 A 66 66 GLU H H 66 8.397 7.903 0.494 1
1 779 . 13 1 1 A 66 66 GLU HA H 66 4.224 4.212 0.012 1
1 784 . 13 1 1 A 66 66 GLU C C 66 176.855 177.204 -0.349 1
1 785 . 13 1 1 A 66 66 GLU CA C 66 58.023 55.958 2.065 1
1 786 . 13 1 1 A 66 66 GLU CB C 66 29.857 30.049 -0.192 1
1 788 . 13 1 1 A 66 66 GLU N N 66 122.201 114.774 7.427 1
1 789 . 13 1 1 A 67 67 GLY H H 67 8.376 7.788 0.588 1
1 790 . 13 1 1 A 67 67 GLY HA2 H 67 3.834 3.963 -0.129 1
1 791 . 13 1 1 A 67 67 GLY HA3 H 67 3.834 3.965 -0.131 1
1 792 . 13 1 1 A 67 67 GLY C C 67 173.071 175.192 -2.121 1
1 793 . 13 1 1 A 67 67 GLY CA C 67 45.871 46.483 -0.612 1
1 794 . 13 1 1 A 67 67 GLY N N 67 109.499 108.377 1.122 1
1 795 . 13 1 1 A 68 68 ARG H H 68 8.011 7.511 0.500 1
1 796 . 13 1 1 A 68 68 ARG HA H 68 4.482 4.292 0.190 1
1 808 . 13 1 1 A 68 68 ARG C C 68 177.494 178.313 -0.819 1
1 809 . 13 1 1 A 68 68 ARG CA C 68 57.574 59.241 -1.667 1
1 810 . 13 1 1 A 68 68 ARG CB C 68 30.325 30.136 0.189 1
1 813 . 13 1 1 A 68 68 ARG N N 68 122.501 120.752 1.749 1
1 815 . 13 1 1 A 69 69 LYS H H 69 7.986 8.131 -0.145 1
1 816 . 13 1 1 A 69 69 LYS HA H 69 4.150 4.136 0.014 1
1 825 . 13 1 1 A 69 69 LYS C C 69 178.168 179.116 -0.948 1
1 826 . 13 1 1 A 69 69 LYS CA C 69 57.781 58.265 -0.484 1
1 827 . 13 1 1 A 69 69 LYS CB C 69 32.705 32.244 0.461 1
1 831 . 13 1 1 A 69 69 LYS N N 69 120.934 117.869 3.065 1
1 832 . 13 1 1 A 70 70 VAL H H 70 7.848 8.037 -0.189 1
1 833 . 13 1 1 A 70 70 VAL HA H 70 4.088 3.603 0.485 1
1 841 . 13 1 1 A 70 70 VAL C C 70 175.998 177.997 -1.999 1
1 842 . 13 1 1 A 70 70 VAL CA C 70 64.206 66.450 -2.244 1
1 843 . 13 1 1 A 70 70 VAL CB C 70 31.873 31.783 0.090 1
1 846 . 13 1 1 A 70 70 VAL N N 70 120.324 119.837 0.487 1
1 847 . 13 1 1 A 71 71 ALA H H 71 8.300 8.321 -0.021 1
1 848 . 13 1 1 A 71 71 ALA HA H 71 4.221 4.176 0.045 1
1 852 . 13 1 1 A 71 71 ALA C C 71 178.225 179.033 -0.808 1
1 853 . 13 1 1 A 71 71 ALA CA C 71 53.106 55.835 -2.729 1
1 854 . 13 1 1 A 71 71 ALA CB C 71 19.128 18.188 0.940 1
1 855 . 13 1 1 A 71 71 ALA N N 71 127.025 122.042 4.983 1
1 856 . 13 1 1 A 72 72 GLU H H 72 8.181 8.294 -0.113 1
1 857 . 13 1 1 A 72 72 GLU HA H 72 4.219 4.013 0.206 1
1 862 . 13 1 1 A 72 72 GLU C C 72 176.779 179.119 -2.340 1
1 863 . 13 1 1 A 72 72 GLU CA C 72 56.776 59.732 -2.956 1
1 864 . 13 1 1 A 72 72 GLU CB C 72 28.610 29.027 -0.417 1
1 866 . 13 1 1 A 72 72 GLU N N 72 123.008 118.172 4.836 1
1 867 . 13 1 1 A 73 73 GLN H H 73 8.132 7.504 0.628 1
1 868 . 13 1 1 A 73 73 GLN HA H 73 4.141 4.157 -0.016 1
1 875 . 13 1 1 A 73 73 GLN C C 73 175.803 178.612 -2.809 1
1 876 . 13 1 1 A 73 73 GLN CA C 73 56.456 58.583 -2.127 1
1 877 . 13 1 1 A 73 73 GLN CB C 73 28.290 28.178 0.112 1
1 879 . 13 1 1 A 73 73 GLN N N 73 120.564 119.521 1.043 1
1 881 . 13 1 1 A 74 74 VAL H H 74 8.088 7.625 0.463 1
1 882 . 13 1 1 A 74 74 VAL HA H 74 3.986 3.514 0.472 1
1 890 . 13 1 1 A 74 74 VAL C C 74 176.167 177.773 -1.606 1
1 891 . 13 1 1 A 74 74 VAL CA C 74 63.123 66.434 -3.311 1
1 892 . 13 1 1 A 74 74 VAL CB C 74 30.082 31.597 -1.515 1
1 895 . 13 1 1 A 74 74 VAL N N 74 121.828 120.025 1.803 1
1 896 . 13 1 1 A 75 75 MET H H 75 8.167 8.399 -0.232 1
1 897 . 13 1 1 A 75 75 MET HA H 75 4.093 4.016 0.077 1
1 903 . 13 1 1 A 75 75 MET C C 75 176.455 178.467 -2.012 1
1 904 . 13 1 1 A 75 75 MET N N 75 123.990 117.152 6.838 1
1 905 . 13 1 1 A 76 76 LYS H H 76 8.287 7.932 0.355 1
1 906 . 13 1 1 A 76 76 LYS HA H 76 4.234 4.060 0.174 1
1 915 . 13 1 1 A 76 76 LYS C C 76 176.220 178.589 -2.369 1
1 916 . 13 1 1 A 76 76 LYS CA C 76 56.765 58.766 -2.001 1
1 917 . 13 1 1 A 76 76 LYS CB C 76 33.055 32.246 0.809 1
1 921 . 13 1 1 A 76 76 LYS N N 76 122.725 120.011 2.714 1
1 922 . 13 1 1 A 77 77 ALA H H 77 8.308 8.227 0.081 1
1 923 . 13 1 1 A 77 77 ALA HA H 77 4.213 4.039 0.174 1
1 927 . 13 1 1 A 77 77 ALA C C 77 178.097 179.943 -1.846 1
1 928 . 13 1 1 A 77 77 ALA CA C 77 52.740 54.945 -2.205 1
1 929 . 13 1 1 A 77 77 ALA CB C 77 19.427 18.456 0.971 1
1 930 . 13 1 1 A 77 77 ALA N N 77 125.316 121.765 3.551 1
1 931 . 13 1 1 A 78 78 GLY H H 78 8.284 7.934 0.350 1
1 932 . 13 1 1 A 78 78 GLY HA2 H 78 3.873 3.645 0.228 1
1 933 . 13 1 1 A 78 78 GLY HA3 H 78 3.873 3.773 0.100 1
1 934 . 13 1 1 A 78 78 GLY C C 78 174.065 175.490 -1.425 1
1 935 . 13 1 1 A 78 78 GLY CA C 78 45.497 47.430 -1.933 1
1 936 . 13 1 1 A 78 78 GLY N N 78 107.778 105.298 2.480 1
1 937 . 13 1 1 A 79 79 ILE H H 79 7.882 8.101 -0.219 1
1 938 . 13 1 1 A 79 79 ILE HA H 79 4.119 4.169 -0.050 1
1 948 . 13 1 1 A 79 79 ILE C C 79 176.160 178.868 -2.708 1
1 949 . 13 1 1 A 79 79 ILE CA C 79 61.436 64.030 -2.594 1
1 950 . 13 1 1 A 79 79 ILE CB C 79 38.904 37.120 1.784 1
1 954 . 13 1 1 A 79 79 ILE N N 79 119.794 122.726 -2.932 1
1 955 . 13 1 1 A 80 80 GLU H H 80 8.354 8.252 0.102 1
1 956 . 13 1 1 A 80 80 GLU HA H 80 4.282 4.033 0.249 1
1 961 . 13 1 1 A 80 80 GLU C C 80 176.174 179.749 -3.575 1
1 962 . 13 1 1 A 80 80 GLU CA C 80 57.178 59.394 -2.216 1
1 963 . 13 1 1 A 80 80 GLU CB C 80 30.019 29.567 0.452 1
1 965 . 13 1 1 A 80 80 GLU N N 80 124.311 119.785 4.526 1
1 966 . 13 1 1 A 81 81 VAL H H 81 8.205 7.584 0.621 1
1 967 . 13 1 1 A 81 81 VAL HA H 81 3.985 3.514 0.471 1
1 975 . 13 1 1 A 81 81 VAL C C 81 175.815 178.159 -2.344 1
1 976 . 13 1 1 A 81 81 VAL CA C 81 62.865 66.419 -3.554 1
1 977 . 13 1 1 A 81 81 VAL CB C 81 32.629 31.525 1.104 1
1 980 . 13 1 1 A 81 81 VAL N N 81 121.106 120.794 0.312 1
1 981 . 13 1 1 A 82 82 PHE H H 82 8.252 8.238 0.014 1
1 982 . 13 1 1 A 82 82 PHE HA H 82 4.551 4.290 0.261 1
1 990 . 13 1 1 A 82 82 PHE C C 82 175.631 178.461 -2.830 1
1 991 . 13 1 1 A 82 82 PHE CA C 82 58.206 60.259 -2.053 1
1 992 . 13 1 1 A 82 82 PHE CB C 82 39.431 37.695 1.736 1
1 993 . 13 1 1 A 82 82 PHE N N 82 123.622 118.616 5.006 1
1 994 . 13 1 1 A 83 83 ALA H H 83 8.184 8.722 -0.538 1
1 995 . 13 1 1 A 83 83 ALA HA H 83 4.230 4.148 0.082 1
1 999 . 13 1 1 A 83 83 ALA C C 83 178.025 179.921 -1.896 1
1 1000 . 13 1 1 A 83 83 ALA CA C 83 52.731 55.169 -2.438 1
1 1001 . 13 1 1 A 83 83 ALA CB C 83 19.359 17.940 1.419 1
1 1002 . 13 1 1 A 83 83 ALA N N 83 125.081 122.724 2.357 1
1 1003 . 13 1 1 A 84 84 LEU H H 84 8.104 7.948 0.156 1
1 1004 . 13 1 1 A 84 84 LEU HA H 84 4.167 4.086 0.081 1
1 1014 . 13 1 1 A 84 84 LEU C C 84 176.390 178.821 -2.431 1
1 1015 . 13 1 1 A 84 84 LEU CA C 84 55.786 57.680 -1.894 1
1 1016 . 13 1 1 A 84 84 LEU CB C 84 42.179 41.602 0.577 1
1 1020 . 13 1 1 A 84 84 LEU N N 84 119.064 120.525 -1.461 1
1 1021 . 13 1 1 A 85 85 VAL H H 85 8.155 7.910 0.245 1
1 1022 . 13 1 1 A 85 85 VAL HA H 85 4.073 3.776 0.297 1
1 1030 . 13 1 1 A 85 85 VAL C C 85 176.521 178.454 -1.933 1
1 1031 . 13 1 1 A 85 85 VAL CA C 85 62.762 65.817 -3.055 1
1 1032 . 13 1 1 A 85 85 VAL CB C 85 32.498 31.606 0.892 1
1 1035 . 13 1 1 A 85 85 VAL N N 85 121.743 118.999 2.744 1
1 1036 . 13 1 1 A 86 86 THR H H 86 8.052 7.845 0.207 1
1 1037 . 13 1 1 A 86 86 THR HA H 86 4.141 4.019 0.122 1
1 1042 . 13 1 1 A 86 86 THR C C 86 174.706 176.564 -1.858 1
1 1043 . 13 1 1 A 86 86 THR CA C 86 62.351 66.173 -3.822 1
1 1044 . 13 1 1 A 86 86 THR CB C 86 69.618 68.490 1.128 1
1 1046 . 13 1 1 A 86 86 THR N N 86 117.693 115.947 1.746 1
1 1047 . 13 1 1 A 87 87 ALA H H 87 8.216 8.134 0.082 1
1 1048 . 13 1 1 A 87 87 ALA HA H 87 4.170 4.087 0.083 1
1 1052 . 13 1 1 A 87 87 ALA C C 87 178.003 178.420 -0.417 1
1 1053 . 13 1 1 A 87 87 ALA CA C 87 52.967 54.453 -1.486 1
1 1054 . 13 1 1 A 87 87 ALA CB C 87 18.326 18.247 0.079 1
1 1055 . 13 1 1 A 87 87 ALA N N 87 126.174 123.039 3.135 1
1 1056 . 13 1 1 A 88 88 ALA H H 88 8.129 8.293 -0.164 1
1 1057 . 13 1 1 A 88 88 ALA HA H 88 4.147 4.529 -0.382 1
1 1061 . 13 1 1 A 88 88 ALA C C 88 178.246 178.110 0.136 1
1 1062 . 13 1 1 A 88 88 ALA CA C 88 52.961 51.985 0.976 1
1 1063 . 13 1 1 A 88 88 ALA CB C 88 19.290 19.955 -0.665 1
1 1064 . 13 1 1 A 88 88 ALA N N 88 122.649 118.974 3.675 1
1 1065 . 13 1 1 A 89 89 LEU H H 89 7.992 7.584 0.408 1
1 1066 . 13 1 1 A 89 89 LEU HA H 89 4.153 4.235 -0.082 1
1 1076 . 13 1 1 A 89 89 LEU C C 89 176.375 178.862 -2.487 1
1 1077 . 13 1 1 A 89 89 LEU CA C 89 57.099 57.083 0.016 1
1 1078 . 13 1 1 A 89 89 LEU CB C 89 42.055 42.600 -0.545 1
1 1082 . 13 1 1 A 89 89 LEU N N 89 120.616 116.856 3.760 1
1 1083 . 13 1 1 A 90 90 ALA H H 90 8.168 8.401 -0.233 1
1 1084 . 13 1 1 A 90 90 ALA HA H 90 4.218 4.319 -0.101 1
1 1088 . 13 1 1 A 90 90 ALA C C 90 178.487 179.729 -1.242 1
1 1089 . 13 1 1 A 90 90 ALA CA C 90 53.043 54.339 -1.296 1
1 1090 . 13 1 1 A 90 90 ALA CB C 90 19.269 18.663 0.606 1
1 1091 . 13 1 1 A 90 90 ALA N N 90 124.243 121.758 2.485 1
1 1092 . 13 1 1 A 91 91 THR H H 91 7.988 7.916 0.072 1
1 1093 . 13 1 1 A 91 91 THR HA H 91 4.181 3.872 0.309 1
1 1098 . 13 1 1 A 91 91 THR C C 91 174.931 175.085 -0.154 1
1 1099 . 13 1 1 A 91 91 THR CA C 91 62.190 64.578 -2.388 1
1 1100 . 13 1 1 A 91 91 THR CB C 91 69.198 68.319 0.879 1
1 1102 . 13 1 1 A 91 91 THR N N 91 112.659 111.342 1.317 1
1 1103 . 13 1 1 A 92 92 ASP H H 92 8.254 8.229 0.025 1
1 1104 . 13 1 1 A 92 92 ASP HA H 92 4.541 4.551 -0.010 1
1 1107 . 13 1 1 A 92 92 ASP C C 92 175.823 178.157 -2.334 1
1 1108 . 13 1 1 A 92 92 ASP CA C 92 53.570 55.146 -1.576 1
1 1109 . 13 1 1 A 92 92 ASP CB C 92 38.750 41.160 -2.410 1
1 1110 . 13 1 1 A 92 92 ASP N N 92 120.688 122.354 -1.666 1
1 1111 . 13 1 1 A 93 93 PHE H H 93 8.048 8.025 0.023 1
1 1112 . 13 1 1 A 93 93 PHE HA H 93 4.547 4.366 0.181 1
1 1120 . 13 1 1 A 93 93 PHE C C 93 176.384 177.775 -1.391 1
1 1121 . 13 1 1 A 93 93 PHE CA C 93 58.633 59.505 -0.872 1
1 1122 . 13 1 1 A 93 93 PHE CB C 93 39.451 37.985 1.466 1
1 1123 . 13 1 1 A 93 93 PHE N N 93 120.763 118.205 2.558 1
1 1124 . 13 1 1 A 94 94 VAL H H 94 7.904 7.460 0.444 1
1 1125 . 13 1 1 A 94 94 VAL HA H 94 4.364 3.212 1.152 1
1 1133 . 13 1 1 A 94 94 VAL C C 94 176.851 177.801 -0.950 1
1 1134 . 13 1 1 A 94 94 VAL CA C 94 63.297 65.948 -2.651 1
1 1135 . 13 1 1 A 94 94 VAL CB C 94 29.241 31.090 -1.849 1
1 1138 . 13 1 1 A 94 94 VAL N N 94 121.478 120.697 0.781 1
1 1139 . 13 1 1 A 95 95 ARG H H 95 8.146 8.076 0.070 1
1 1140 . 13 1 1 A 95 95 ARG HA H 95 4.134 3.985 0.149 1
1 1152 . 13 1 1 A 95 95 ARG C C 95 177.395 178.950 -1.555 1
1 1153 . 13 1 1 A 95 95 ARG CA C 95 55.978 59.607 -3.629 1
1 1154 . 13 1 1 A 95 95 ARG CB C 95 31.070 29.738 1.332 1
1 1157 . 13 1 1 A 95 95 ARG N N 95 122.920 119.651 3.269 1
1 1159 . 13 1 1 A 96 96 ARG H H 96 8.313 8.247 0.066 1
1 1160 . 13 1 1 A 96 96 ARG HA H 96 4.180 4.002 0.178 1
1 1172 . 13 1 1 A 96 96 ARG C C 96 176.839 178.975 -2.136 1
1 1173 . 13 1 1 A 96 96 ARG CA C 96 56.831 59.369 -2.538 1
1 1174 . 13 1 1 A 96 96 ARG CB C 96 30.952 29.954 0.998 1
1 1177 . 13 1 1 A 96 96 ARG N N 96 121.064 120.167 0.897 1
1 1179 . 13 1 1 A 97 97 GLU H H 97 8.356 7.913 0.443 1
1 1180 . 13 1 1 A 97 97 GLU HA H 97 4.220 4.174 0.046 1
1 1185 . 13 1 1 A 97 97 GLU C C 97 176.319 179.022 -2.703 1
1 1186 . 13 1 1 A 97 97 GLU CA C 97 57.408 58.976 -1.568 1
1 1187 . 13 1 1 A 97 97 GLU CB C 97 28.610 29.139 -0.529 1
1 1189 . 13 1 1 A 97 97 GLU N N 97 121.754 118.486 3.268 1
1 1190 . 13 1 1 A 98 98 GLU H H 98 8.328 7.983 0.345 1
1 1191 . 13 1 1 A 98 98 GLU HA H 98 4.240 4.147 0.093 1
1 1196 . 13 1 1 A 98 98 GLU C C 98 176.132 178.813 -2.681 1
1 1197 . 13 1 1 A 98 98 GLU CA C 98 57.666 58.731 -1.065 1
1 1198 . 13 1 1 A 98 98 GLU CB C 98 30.045 29.647 0.398 1
1 1200 . 13 1 1 A 98 98 GLU N N 98 121.414 120.054 1.360 1
1 1201 . 13 1 1 A 99 99 GLU H H 99 8.418 8.357 0.061 1
1 1202 . 13 1 1 A 99 99 GLU HA H 99 4.299 4.134 0.165 1
1 1207 . 13 1 1 A 99 99 GLU C C 99 177.021 179.964 -2.943 1
1 1208 . 13 1 1 A 99 99 GLU CA C 99 57.397 58.912 -1.515 1
1 1209 . 13 1 1 A 99 99 GLU CB C 99 30.309 29.016 1.293 1
1 1211 . 13 1 1 A 99 99 GLU N N 99 121.312 121.405 -0.093 1
1 1212 . 13 1 1 A 100 100 ARG H H 100 8.013 8.221 -0.208 1
1 1213 . 13 1 1 A 100 100 ARG HA H 100 4.180 4.093 0.087 1
1 1225 . 13 1 1 A 100 100 ARG C C 100 176.313 178.686 -2.373 1
1 1226 . 13 1 1 A 100 100 ARG CA C 100 57.238 58.971 -1.733 1
1 1227 . 13 1 1 A 100 100 ARG CB C 100 30.298 29.668 0.630 1
1 1230 . 13 1 1 A 100 100 ARG N N 100 121.871 121.497 0.374 1
1 1232 . 13 1 1 A 101 101 ARG H H 101 8.260 7.470 0.790 1
1 1233 . 13 1 1 A 101 101 ARG HA H 101 4.260 4.355 -0.095 1
1 1245 . 13 1 1 A 101 101 ARG C C 101 176.753 177.338 -0.585 1
1 1246 . 13 1 1 A 101 101 ARG CA C 101 56.492 56.040 0.452 1
1 1247 . 13 1 1 A 101 101 ARG CB C 101 30.838 31.066 -0.228 1
1 1250 . 13 1 1 A 101 101 ARG N N 101 122.019 115.699 6.320 1
1 1252 . 13 1 1 A 102 102 GLY H H 102 8.380 8.623 -0.243 1
1 1253 . 13 1 1 A 102 102 GLY HA2 H 102 3.849 3.942 -0.093 1
1 1254 . 13 1 1 A 102 102 GLY HA3 H 102 3.849 3.963 -0.114 1
1 1255 . 13 1 1 A 102 102 GLY C C 102 173.145 173.411 -0.266 1
1 1256 . 13 1 1 A 102 102 GLY CA C 102 45.401 46.306 -0.905 1
1 1257 . 13 1 1 A 102 102 GLY N N 102 110.110 108.527 1.583 1
1 9 . 14 1 1 A 2 2 ALA H H 2 8.742 8.559 0.183 1
1 10 . 14 1 1 A 2 2 ALA HA H 2 4.302 3.988 0.314 1
1 14 . 14 1 1 A 2 2 ALA C C 2 177.216 176.778 0.438 1
1 15 . 14 1 1 A 2 2 ALA CA C 2 52.876 54.163 -1.287 1
1 16 . 14 1 1 A 2 2 ALA CB C 2 19.182 17.737 1.445 1
1 17 . 14 1 1 A 2 2 ALA N N 2 124.657 125.521 -0.864 1
1 18 . 14 1 1 A 3 3 ASP H H 3 8.432 8.684 -0.252 1
1 19 . 14 1 1 A 3 3 ASP HA H 3 4.530 4.492 0.038 1
1 22 . 14 1 1 A 3 3 ASP C C 3 176.023 178.098 -2.075 1
1 23 . 14 1 1 A 3 3 ASP CA C 3 53.721 55.804 -2.083 1
1 24 . 14 1 1 A 3 3 ASP CB C 3 38.752 41.667 -2.915 1
1 25 . 14 1 1 A 3 3 ASP N N 3 118.729 119.639 -0.910 1
1 26 . 14 1 1 A 4 4 HIS H H 4 8.549 8.178 0.371 1
1 27 . 14 1 1 A 4 4 HIS HA H 4 4.568 4.319 0.249 1
1 32 . 14 1 1 A 4 4 HIS C C 4 175.101 177.488 -2.387 1
1 33 . 14 1 1 A 4 4 HIS CA C 4 56.640 58.960 -2.320 1
1 34 . 14 1 1 A 4 4 HIS CB C 4 28.961 28.651 0.310 1
1 37 . 14 1 1 A 4 4 HIS N N 4 119.650 118.186 1.464 1
1 38 . 14 1 1 A 5 5 GLU H H 5 8.330 7.914 0.416 1
1 39 . 14 1 1 A 5 5 GLU HA H 5 4.207 4.106 0.101 1
1 44 . 14 1 1 A 5 5 GLU C C 5 175.749 179.370 -3.621 1
1 45 . 14 1 1 A 5 5 GLU CA C 5 56.594 59.450 -2.856 1
1 46 . 14 1 1 A 5 5 GLU CB C 5 29.285 29.081 0.204 1
1 48 . 14 1 1 A 5 5 GLU N N 5 120.937 120.894 0.043 1
1 49 . 14 1 1 A 6 6 ARG H H 6 8.325 7.720 0.605 1
1 50 . 14 1 1 A 6 6 ARG HA H 6 4.571 4.166 0.405 1
1 62 . 14 1 1 A 6 6 ARG C C 6 177.578 179.118 -1.540 1
1 63 . 14 1 1 A 6 6 ARG CA C 6 56.716 58.977 -2.261 1
1 64 . 14 1 1 A 6 6 ARG CB C 6 30.744 29.725 1.019 1
1 67 . 14 1 1 A 6 6 ARG N N 6 120.267 119.919 0.348 1
1 69 . 14 1 1 A 7 7 GLU H H 7 8.136 7.938 0.198 1
1 70 . 14 1 1 A 7 7 GLU HA H 7 4.165 4.133 0.032 1
1 75 . 14 1 1 A 7 7 GLU C C 7 177.156 178.610 -1.454 1
1 76 . 14 1 1 A 7 7 GLU CA C 7 57.125 59.006 -1.881 1
1 77 . 14 1 1 A 7 7 GLU CB C 7 30.149 29.179 0.970 1
1 79 . 14 1 1 A 7 7 GLU N N 7 121.008 119.198 1.810 1
1 80 . 14 1 1 A 8 8 ALA H H 8 8.325 8.160 0.165 1
1 81 . 14 1 1 A 8 8 ALA HA H 8 4.212 4.090 0.122 1
1 85 . 14 1 1 A 8 8 ALA C C 8 178.913 179.787 -0.874 1
1 86 . 14 1 1 A 8 8 ALA CA C 8 52.832 55.323 -2.491 1
1 87 . 14 1 1 A 8 8 ALA CB C 8 18.909 18.248 0.661 1
1 88 . 14 1 1 A 8 8 ALA N N 8 124.538 122.457 2.081 1
1 89 . 14 1 1 A 9 9 GLN H H 9 8.159 7.916 0.243 1
1 90 . 14 1 1 A 9 9 GLN HA H 9 4.140 4.096 0.044 1
1 97 . 14 1 1 A 9 9 GLN C C 9 175.771 178.839 -3.068 1
1 98 . 14 1 1 A 9 9 GLN CA C 9 57.655 57.953 -0.298 1
1 99 . 14 1 1 A 9 9 GLN CB C 9 28.606 28.243 0.363 1
1 101 . 14 1 1 A 9 9 GLN N N 9 124.103 117.296 6.807 1
1 103 . 14 1 1 A 10 10 LYS H H 10 8.148 7.634 0.514 1
1 104 . 14 1 1 A 10 10 LYS HA H 10 4.204 4.121 0.083 1
1 113 . 14 1 1 A 10 10 LYS C C 10 177.798 179.032 -1.234 1
1 114 . 14 1 1 A 10 10 LYS CA C 10 57.139 58.517 -1.378 1
1 115 . 14 1 1 A 10 10 LYS CB C 10 33.040 31.783 1.257 1
1 119 . 14 1 1 A 10 10 LYS N N 10 120.635 121.091 -0.456 1
1 120 . 14 1 1 A 11 11 ALA H H 11 8.148 7.886 0.262 1
1 121 . 14 1 1 A 11 11 ALA HA H 11 4.140 4.076 0.064 1
1 125 . 14 1 1 A 11 11 ALA C C 11 178.173 179.739 -1.566 1
1 126 . 14 1 1 A 11 11 ALA CA C 11 53.351 55.081 -1.730 1
1 127 . 14 1 1 A 11 11 ALA CB C 11 19.128 18.125 1.003 1
1 128 . 14 1 1 A 11 11 ALA N N 11 123.171 122.308 0.863 1
1 129 . 14 1 1 A 12 12 GLU H H 12 8.248 7.622 0.626 1
1 130 . 14 1 1 A 12 12 GLU HA H 12 4.222 4.042 0.180 1
1 135 . 14 1 1 A 12 12 GLU C C 12 176.385 179.213 -2.828 1
1 136 . 14 1 1 A 12 12 GLU CA C 12 57.442 59.476 -2.034 1
1 137 . 14 1 1 A 12 12 GLU CB C 12 30.001 29.140 0.861 1
1 139 . 14 1 1 A 12 12 GLU N N 12 119.451 118.390 1.061 1
1 140 . 14 1 1 A 13 13 GLU H H 13 8.372 8.299 0.073 1
1 141 . 14 1 1 A 13 13 GLU HA H 13 4.265 4.105 0.160 1
1 146 . 14 1 1 A 13 13 GLU C C 13 178.060 180.054 -1.994 1
1 147 . 14 1 1 A 13 13 GLU CA C 13 56.828 58.874 -2.046 1
1 148 . 14 1 1 A 13 13 GLU CB C 13 30.082 29.531 0.551 1
1 150 . 14 1 1 A 13 13 GLU N N 13 121.080 121.152 -0.072 1
1 151 . 14 1 1 A 14 14 GLU H H 14 8.152 7.472 0.680 1
1 152 . 14 1 1 A 14 14 GLU HA H 14 4.142 4.132 0.010 1
1 157 . 14 1 1 A 14 14 GLU C C 14 176.274 178.816 -2.542 1
1 158 . 14 1 1 A 14 14 GLU CA C 14 56.892 59.007 -2.115 1
1 159 . 14 1 1 A 14 14 GLU CB C 14 28.169 29.370 -1.201 1
1 161 . 14 1 1 A 14 14 GLU N N 14 120.236 119.569 0.667 1
1 162 . 14 1 1 A 15 15 LEU H H 15 8.301 7.712 0.589 1
1 163 . 14 1 1 A 15 15 LEU HA H 15 4.224 4.018 0.206 1
1 173 . 14 1 1 A 15 15 LEU C C 15 177.983 178.626 -0.643 1
1 174 . 14 1 1 A 15 15 LEU CA C 15 56.344 57.631 -1.287 1
1 175 . 14 1 1 A 15 15 LEU CB C 15 42.250 41.785 0.465 1
1 179 . 14 1 1 A 15 15 LEU N N 15 123.072 121.241 1.831 1
1 180 . 14 1 1 A 16 16 GLN H H 16 8.132 7.726 0.406 1
1 181 . 14 1 1 A 16 16 GLN HA H 16 4.145 4.068 0.077 1
1 188 . 14 1 1 A 16 16 GLN C C 16 177.674 178.833 -1.159 1
1 189 . 14 1 1 A 16 16 GLN CA C 16 57.971 58.994 -1.023 1
1 190 . 14 1 1 A 16 16 GLN CB C 16 29.889 28.030 1.859 1
1 192 . 14 1 1 A 16 16 GLN N N 16 119.160 117.990 1.170 1
1 194 . 14 1 1 A 17 17 LYS H H 17 8.214 7.370 0.844 1
1 195 . 14 1 1 A 17 17 LYS HA H 17 4.140 4.179 -0.039 1
1 204 . 14 1 1 A 17 17 LYS C C 17 177.646 179.128 -1.482 1
1 205 . 14 1 1 A 17 17 LYS CA C 17 57.115 59.121 -2.006 1
1 206 . 14 1 1 A 17 17 LYS CB C 17 32.833 32.496 0.337 1
1 210 . 14 1 1 A 17 17 LYS N N 17 120.310 121.016 -0.706 1
1 211 . 14 1 1 A 18 18 VAL H H 18 7.871 7.495 0.376 1
1 212 . 14 1 1 A 18 18 VAL HA H 18 4.108 3.819 0.289 1
1 220 . 14 1 1 A 18 18 VAL C C 18 177.476 178.050 -0.574 1
1 221 . 14 1 1 A 18 18 VAL CA C 18 63.634 65.704 -2.070 1
1 222 . 14 1 1 A 18 18 VAL CB C 18 31.886 31.191 0.695 1
1 225 . 14 1 1 A 18 18 VAL N N 18 120.571 118.151 2.420 1
1 226 . 14 1 1 A 19 19 LEU H H 19 8.180 7.939 0.241 1
1 227 . 14 1 1 A 19 19 LEU HA H 19 4.042 3.907 0.135 1
1 237 . 14 1 1 A 19 19 LEU C C 19 179.462 179.243 0.219 1
1 238 . 14 1 1 A 19 19 LEU CA C 19 57.653 58.376 -0.723 1
1 239 . 14 1 1 A 19 19 LEU CB C 19 41.800 41.731 0.069 1
1 243 . 14 1 1 A 19 19 LEU N N 19 122.936 121.693 1.243 1
1 244 . 14 1 1 A 20 20 GLU H H 20 8.122 7.777 0.345 1
1 245 . 14 1 1 A 20 20 GLU HA H 20 4.156 4.085 0.071 1
1 250 . 14 1 1 A 20 20 GLU C C 20 178.001 179.596 -1.595 1
1 251 . 14 1 1 A 20 20 GLU CA C 20 58.045 59.625 -1.580 1
1 252 . 14 1 1 A 20 20 GLU CB C 20 30.092 29.164 0.928 1
1 254 . 14 1 1 A 20 20 GLU N N 20 118.745 117.420 1.325 1
1 255 . 14 1 1 A 21 21 GLU H H 21 8.190 8.254 -0.064 1
1 256 . 14 1 1 A 21 21 GLU HA H 21 4.144 4.109 0.035 1
1 261 . 14 1 1 A 21 21 GLU C C 21 177.290 178.533 -1.243 1
1 262 . 14 1 1 A 21 21 GLU CA C 21 58.109 59.460 -1.351 1
1 263 . 14 1 1 A 21 21 GLU CB C 21 29.868 29.477 0.391 1
1 265 . 14 1 1 A 21 21 GLU N N 21 119.542 120.406 -0.864 1
1 266 . 14 1 1 A 22 22 ALA H H 22 8.092 8.405 -0.313 1
1 267 . 14 1 1 A 22 22 ALA HA H 22 4.173 4.155 0.018 1
1 271 . 14 1 1 A 22 22 ALA C C 22 179.020 179.607 -0.587 1
1 272 . 14 1 1 A 22 22 ALA CA C 22 53.944 54.379 -0.435 1
1 273 . 14 1 1 A 22 22 ALA CB C 22 18.578 18.583 -0.005 1
1 274 . 14 1 1 A 22 22 ALA N N 22 123.378 122.268 1.110 1
1 275 . 14 1 1 A 23 23 SER H H 23 8.079 8.085 -0.006 1
1 276 . 14 1 1 A 23 23 SER HA H 23 4.300 4.245 0.055 1
1 279 . 14 1 1 A 23 23 SER C C 23 173.125 176.070 -2.945 1
1 280 . 14 1 1 A 23 23 SER CA C 23 59.414 61.451 -2.037 1
1 281 . 14 1 1 A 23 23 SER CB C 23 63.520 63.025 0.495 1
1 282 . 14 1 1 A 23 23 SER N N 23 114.637 114.909 -0.272 1
1 283 . 14 1 1 A 24 24 LYS H H 24 8.032 7.600 0.432 1
1 284 . 14 1 1 A 24 24 LYS HA H 24 4.325 3.984 0.341 1
1 293 . 14 1 1 A 24 24 LYS C C 24 175.423 178.629 -3.206 1
1 294 . 14 1 1 A 24 24 LYS CA C 24 57.273 59.403 -2.130 1
1 295 . 14 1 1 A 24 24 LYS CB C 24 31.200 32.330 -1.130 1
1 299 . 14 1 1 A 24 24 LYS N N 24 122.635 121.013 1.622 1
1 300 . 14 1 1 A 25 25 LYS H H 25 8.042 7.878 0.164 1
1 301 . 14 1 1 A 25 25 LYS HA H 25 4.169 4.028 0.141 1
1 310 . 14 1 1 A 25 25 LYS C C 25 177.025 179.244 -2.219 1
1 311 . 14 1 1 A 25 25 LYS CA C 25 56.876 59.702 -2.826 1
1 312 . 14 1 1 A 25 25 LYS CB C 25 31.200 32.502 -1.302 1
1 316 . 14 1 1 A 25 25 LYS N N 25 121.079 119.137 1.942 1
1 317 . 14 1 1 A 26 26 ALA H H 26 8.103 8.616 -0.513 1
1 318 . 14 1 1 A 26 26 ALA HA H 26 4.196 4.027 0.169 1
1 322 . 14 1 1 A 26 26 ALA C C 26 178.418 179.852 -1.434 1
1 323 . 14 1 1 A 26 26 ALA CA C 26 53.049 55.280 -2.231 1
1 324 . 14 1 1 A 26 26 ALA CB C 26 19.055 18.154 0.901 1
1 325 . 14 1 1 A 26 26 ALA N N 26 124.589 122.157 2.432 1
1 326 . 14 1 1 A 27 27 VAL H H 27 8.030 7.788 0.242 1
1 327 . 14 1 1 A 27 27 VAL HA H 27 3.945 3.686 0.259 1
1 335 . 14 1 1 A 27 27 VAL C C 27 179.177 177.344 1.833 1
1 336 . 14 1 1 A 27 27 VAL CA C 27 63.001 64.931 -1.930 1
1 337 . 14 1 1 A 27 27 VAL CB C 27 32.449 31.167 1.282 1
1 340 . 14 1 1 A 27 27 VAL N N 27 119.340 117.053 2.287 1
1 341 . 14 1 1 A 28 28 GLU H H 28 8.187 7.817 0.370 1
1 342 . 14 1 1 A 28 28 GLU HA H 28 4.166 4.006 0.160 1
1 347 . 14 1 1 A 28 28 GLU C C 28 176.411 178.704 -2.293 1
1 348 . 14 1 1 A 28 28 GLU CA C 28 57.290 58.976 -1.686 1
1 349 . 14 1 1 A 28 28 GLU CB C 28 30.025 28.978 1.047 1
1 351 . 14 1 1 A 28 28 GLU N N 28 120.351 121.211 -0.860 1
1 352 . 14 1 1 A 29 29 ALA H H 29 8.173 8.457 -0.284 1
1 353 . 14 1 1 A 29 29 ALA HA H 29 4.230 4.013 0.217 1
1 357 . 14 1 1 A 29 29 ALA C C 29 176.924 179.509 -2.585 1
1 358 . 14 1 1 A 29 29 ALA CA C 29 53.338 55.043 -1.705 1
1 359 . 14 1 1 A 29 29 ALA CB C 29 18.964 18.551 0.413 1
1 360 . 14 1 1 A 29 29 ALA N N 29 124.463 122.228 2.235 1
1 361 . 14 1 1 A 30 30 GLU H H 30 8.239 7.809 0.430 1
1 362 . 14 1 1 A 30 30 GLU HA H 30 4.251 4.072 0.179 1
1 367 . 14 1 1 A 30 30 GLU C C 30 175.016 177.379 -2.363 1
1 368 . 14 1 1 A 30 30 GLU CA C 30 58.033 58.658 -0.625 1
1 369 . 14 1 1 A 30 30 GLU CB C 30 29.996 29.142 0.854 1
1 371 . 14 1 1 A 30 30 GLU N N 30 122.971 118.293 4.678 1
1 372 . 14 1 1 A 31 31 ARG H H 31 8.261 7.376 0.885 1
1 373 . 14 1 1 A 31 31 ARG HA H 31 4.255 4.376 -0.121 1
1 385 . 14 1 1 A 31 31 ARG C C 31 176.727 176.857 -0.130 1
1 386 . 14 1 1 A 31 31 ARG CA C 31 56.565 55.968 0.597 1
1 387 . 14 1 1 A 31 31 ARG CB C 31 30.783 28.634 2.149 1
1 390 . 14 1 1 A 31 31 ARG N N 31 121.894 118.683 3.211 1
1 392 . 14 1 1 A 32 32 GLY H H 32 8.302 8.230 0.072 1
1 393 . 14 1 1 A 32 32 GLY HA2 H 32 3.852 4.080 -0.228 1
1 394 . 14 1 1 A 32 32 GLY HA3 H 32 3.852 4.081 -0.229 1
1 395 . 14 1 1 A 32 32 GLY C C 32 173.994 174.558 -0.564 1
1 396 . 14 1 1 A 32 32 GLY CA C 32 45.077 45.264 -0.187 1
1 397 . 14 1 1 A 32 32 GLY N N 32 109.773 112.822 -3.049 1
1 398 . 14 1 1 A 33 33 ALA H H 33 8.011 7.749 0.262 1
1 399 . 14 1 1 A 33 33 ALA HA H 33 4.212 4.563 -0.351 1
1 403 . 14 1 1 A 33 33 ALA CA C 33 50.522 50.636 -0.114 1
1 404 . 14 1 1 A 33 33 ALA CB C 33 18.962 19.648 -0.686 1
1 405 . 14 1 1 A 33 33 ALA N N 33 123.601 124.020 -0.419 1
1 406 . 14 1 1 A 34 34 PRO HA H 34 4.352 4.311 0.041 1
1 413 . 14 1 1 A 34 34 PRO C C 34 177.746 177.805 -0.059 1
1 414 . 14 1 1 A 34 34 PRO CA C 34 63.520 63.733 -0.213 1
1 415 . 14 1 1 A 34 34 PRO CB C 34 31.938 31.455 0.483 1
1 418 . 14 1 1 A 35 35 GLY H H 35 8.433 8.822 -0.389 1
1 419 . 14 1 1 A 35 35 GLY HA2 H 35 3.848 3.916 -0.068 1
1 420 . 14 1 1 A 35 35 GLY HA3 H 35 3.848 3.920 -0.072 1
1 421 . 14 1 1 A 35 35 GLY C C 35 173.266 174.937 -1.671 1
1 422 . 14 1 1 A 35 35 GLY CA C 35 45.405 46.043 -0.638 1
1 423 . 14 1 1 A 35 35 GLY N N 35 109.298 112.348 -3.050 1
1 424 . 14 1 1 A 36 36 ALA H H 36 8.095 7.871 0.224 1
1 425 . 14 1 1 A 36 36 ALA HA H 36 4.196 4.309 -0.113 1
1 429 . 14 1 1 A 36 36 ALA C C 36 177.944 176.894 1.050 1
1 430 . 14 1 1 A 36 36 ALA CA C 36 52.551 52.423 0.128 1
1 431 . 14 1 1 A 36 36 ALA CB C 36 19.485 19.822 -0.337 1
1 432 . 14 1 1 A 36 36 ALA N N 36 124.605 122.727 1.878 1
1 433 . 14 1 1 A 37 37 ALA H H 37 8.199 9.268 -1.069 1
1 434 . 14 1 1 A 37 37 ALA HA H 37 4.491 4.434 0.057 1
1 438 . 14 1 1 A 37 37 ALA C C 37 177.456 176.817 0.639 1
1 439 . 14 1 1 A 37 37 ALA CA C 37 52.453 53.258 -0.805 1
1 440 . 14 1 1 A 37 37 ALA CB C 37 19.060 21.805 -2.745 1
1 441 . 14 1 1 A 37 37 ALA N N 37 123.695 122.031 1.664 1
1 442 . 14 1 1 A 38 38 LEU H H 38 8.099 8.287 -0.188 1
1 443 . 14 1 1 A 38 38 LEU HA H 38 4.243 4.210 0.033 1
1 453 . 14 1 1 A 38 38 LEU C C 38 177.358 175.825 1.533 1
1 454 . 14 1 1 A 38 38 LEU CA C 38 55.218 53.746 1.472 1
1 455 . 14 1 1 A 38 38 LEU CB C 38 42.228 40.328 1.900 1
1 459 . 14 1 1 A 38 38 LEU N N 38 121.531 118.504 3.027 1
1 460 . 14 1 1 A 39 39 ILE H H 39 7.966 7.551 0.415 1
1 461 . 14 1 1 A 39 39 ILE HA H 39 4.136 4.354 -0.218 1
1 471 . 14 1 1 A 39 39 ILE C C 39 175.586 174.079 1.507 1
1 472 . 14 1 1 A 39 39 ILE CA C 39 60.873 59.992 0.881 1
1 473 . 14 1 1 A 39 39 ILE CB C 39 38.727 37.691 1.036 1
1 477 . 14 1 1 A 39 39 ILE N N 39 121.669 125.028 -3.359 1
1 478 . 14 1 1 A 40 40 SER H H 40 8.101 8.218 -0.117 1
1 479 . 14 1 1 A 40 40 SER HA H 40 4.347 4.878 -0.531 1
1 482 . 14 1 1 A 40 40 SER C C 40 173.336 172.960 0.376 1
1 483 . 14 1 1 A 40 40 SER CA C 40 57.331 57.420 -0.089 1
1 484 . 14 1 1 A 40 40 SER CB C 40 63.983 64.566 -0.583 1
1 485 . 14 1 1 A 40 40 SER N N 40 119.591 122.161 -2.570 1
1 486 . 14 1 1 A 41 41 TYR H H 41 8.100 8.290 -0.190 1
1 487 . 14 1 1 A 41 41 TYR HA H 41 4.436 4.765 -0.329 1
1 494 . 14 1 1 A 41 41 TYR CA C 41 56.067 59.464 -3.397 1
1 495 . 14 1 1 A 41 41 TYR CB C 41 38.244 40.171 -1.927 1
1 496 . 14 1 1 A 41 41 TYR N N 41 122.744 120.497 2.247 1
1 497 . 14 1 1 A 42 42 PRO HA H 42 4.281 4.287 -0.006 1
1 504 . 14 1 1 A 42 42 PRO C C 42 176.765 178.055 -1.290 1
1 505 . 14 1 1 A 42 42 PRO CA C 42 63.650 65.287 -1.637 1
1 506 . 14 1 1 A 42 42 PRO CB C 42 30.513 31.214 -0.701 1
1 509 . 14 1 1 A 43 43 ASP H H 43 8.305 8.340 -0.035 1
1 510 . 14 1 1 A 43 43 ASP HA H 43 4.548 4.363 0.185 1
1 513 . 14 1 1 A 43 43 ASP C C 43 175.135 178.604 -3.469 1
1 514 . 14 1 1 A 43 43 ASP CA C 43 53.570 56.846 -3.276 1
1 515 . 14 1 1 A 43 43 ASP CB C 43 38.450 40.193 -1.743 1
1 516 . 14 1 1 A 43 43 ASP N N 43 118.052 117.353 0.699 1
1 517 . 14 1 1 A 44 44 ALA H H 44 8.013 7.787 0.226 1
1 518 . 14 1 1 A 44 44 ALA HA H 44 4.106 4.172 -0.066 1
1 522 . 14 1 1 A 44 44 ALA C C 44 177.969 179.953 -1.984 1
1 523 . 14 1 1 A 44 44 ALA CA C 44 52.867 55.103 -2.236 1
1 524 . 14 1 1 A 44 44 ALA CB C 44 19.023 18.594 0.429 1
1 525 . 14 1 1 A 44 44 ALA N N 44 123.344 122.904 0.440 1
1 526 . 14 1 1 A 45 45 ILE H H 45 7.860 8.198 -0.338 1
1 527 . 14 1 1 A 45 45 ILE HA H 45 3.855 4.203 -0.348 1
1 537 . 14 1 1 A 45 45 ILE C C 45 176.287 177.758 -1.471 1
1 538 . 14 1 1 A 45 45 ILE CA C 45 61.465 63.969 -2.504 1
1 539 . 14 1 1 A 45 45 ILE CB C 45 38.294 38.015 0.279 1
1 543 . 14 1 1 A 45 45 ILE N N 45 118.636 119.378 -0.742 1
1 544 . 14 1 1 A 46 46 TRP H H 46 7.646 8.262 -0.616 1
1 545 . 14 1 1 A 46 46 TRP HA H 46 4.504 4.378 0.126 1
1 554 . 14 1 1 A 46 46 TRP C C 46 176.136 179.363 -3.227 1
1 555 . 14 1 1 A 46 46 TRP CA C 46 57.139 60.471 -3.332 1
1 556 . 14 1 1 A 46 46 TRP CB C 46 28.880 29.498 -0.618 1
1 558 . 14 1 1 A 46 46 TRP N N 46 122.947 122.366 0.581 1
1 560 . 14 1 1 A 47 47 TRP H H 47 7.502 8.222 -0.720 1
1 561 . 14 1 1 A 47 47 TRP HA H 47 4.482 4.337 0.145 1
1 570 . 14 1 1 A 47 47 TRP C C 47 176.149 178.672 -2.523 1
1 571 . 14 1 1 A 47 47 TRP CA C 47 57.197 61.066 -3.869 1
1 572 . 14 1 1 A 47 47 TRP CB C 47 29.703 29.505 0.198 1
1 573 . 14 1 1 A 47 47 TRP N N 47 120.943 122.402 -1.459 1
1 575 . 14 1 1 A 48 48 SER H H 48 7.861 8.023 -0.162 1
1 576 . 14 1 1 A 48 48 SER HA H 48 4.258 4.111 0.147 1
1 579 . 14 1 1 A 48 48 SER C C 48 174.600 177.355 -2.755 1
1 580 . 14 1 1 A 48 48 SER CA C 48 57.844 61.602 -3.758 1
1 581 . 14 1 1 A 48 48 SER CB C 48 64.102 62.897 1.205 1
1 582 . 14 1 1 A 48 48 SER N N 48 116.339 114.831 1.508 1
1 583 . 14 1 1 A 49 49 VAL H H 49 7.921 8.035 -0.114 1
1 584 . 14 1 1 A 49 49 VAL HA H 49 3.990 3.504 0.486 1
1 592 . 14 1 1 A 49 49 VAL C C 49 176.402 178.087 -1.685 1
1 593 . 14 1 1 A 49 49 VAL CA C 49 62.909 66.862 -3.953 1
1 594 . 14 1 1 A 49 49 VAL CB C 49 32.467 31.515 0.952 1
1 597 . 14 1 1 A 49 49 VAL N N 49 121.079 121.695 -0.616 1
1 598 . 14 1 1 A 50 50 GLU H H 50 8.229 8.150 0.079 1
1 599 . 14 1 1 A 50 50 GLU HA H 50 4.307 4.153 0.154 1
1 604 . 14 1 1 A 50 50 GLU C C 50 176.506 178.412 -1.906 1
1 605 . 14 1 1 A 50 50 GLU CA C 50 57.040 58.831 -1.791 1
1 606 . 14 1 1 A 50 50 GLU CB C 50 30.123 28.396 1.727 1
1 608 . 14 1 1 A 50 50 GLU N N 50 122.433 119.344 3.089 1
1 609 . 14 1 1 A 51 51 THR H H 51 7.993 7.497 0.496 1
1 610 . 14 1 1 A 51 51 THR HA H 51 4.248 3.684 0.564 1
1 615 . 14 1 1 A 51 51 THR C C 51 174.430 175.758 -1.328 1
1 616 . 14 1 1 A 51 51 THR CA C 51 62.227 66.362 -4.135 1
1 617 . 14 1 1 A 51 51 THR CB C 51 69.712 68.174 1.538 1
1 619 . 14 1 1 A 51 51 THR N N 51 114.413 116.596 -2.183 1
1 620 . 14 1 1 A 52 52 ALA H H 52 8.160 7.806 0.354 1
1 621 . 14 1 1 A 52 52 ALA HA H 52 4.212 4.154 0.058 1
1 625 . 14 1 1 A 52 52 ALA C C 52 177.976 178.944 -0.968 1
1 626 . 14 1 1 A 52 52 ALA CA C 52 53.069 54.971 -1.902 1
1 627 . 14 1 1 A 52 52 ALA CB C 52 19.178 18.105 1.073 1
1 628 . 14 1 1 A 52 52 ALA N N 52 125.641 123.723 1.918 1
1 629 . 14 1 1 A 53 53 THR H H 53 8.022 7.241 0.781 1
1 630 . 14 1 1 A 53 53 THR HA H 53 4.231 4.470 -0.239 1
1 635 . 14 1 1 A 53 53 THR C C 53 174.750 174.596 0.154 1
1 636 . 14 1 1 A 53 53 THR CA C 53 62.231 61.843 0.388 1
1 637 . 14 1 1 A 53 53 THR CB C 53 69.726 68.959 0.767 1
1 639 . 14 1 1 A 53 53 THR N N 53 112.100 107.739 4.361 1
1 640 . 14 1 1 A 54 54 THR H H 54 7.999 8.159 -0.160 1
1 641 . 14 1 1 A 54 54 THR HA H 54 4.303 3.970 0.333 1
1 646 . 14 1 1 A 54 54 THR C C 54 174.592 174.257 0.335 1
1 647 . 14 1 1 A 54 54 THR CA C 54 62.002 63.132 -1.130 1
1 648 . 14 1 1 A 54 54 THR CB C 54 69.793 66.497 3.296 1
1 650 . 14 1 1 A 54 54 THR N N 54 116.238 115.158 1.080 1
1 651 . 14 1 1 A 55 55 VAL H H 55 8.098 8.091 0.007 1
1 652 . 14 1 1 A 55 55 VAL HA H 55 4.017 3.757 0.260 1
1 660 . 14 1 1 A 55 55 VAL C C 55 176.453 176.465 -0.012 1
1 661 . 14 1 1 A 55 55 VAL CA C 55 62.650 64.257 -1.607 1
1 662 . 14 1 1 A 55 55 VAL CB C 55 32.524 32.039 0.485 1
1 665 . 14 1 1 A 55 55 VAL N N 55 122.445 119.556 2.889 1
1 666 . 14 1 1 A 56 56 GLY H H 56 8.308 7.787 0.521 1
1 667 . 14 1 1 A 56 56 GLY HA2 H 56 3.839 3.914 -0.075 1
1 668 . 14 1 1 A 56 56 GLY HA3 H 56 4.019 3.915 0.104 1
1 669 . 14 1 1 A 56 56 GLY C C 56 173.958 174.089 -0.131 1
1 670 . 14 1 1 A 56 56 GLY CA C 56 45.216 46.492 -1.276 1
1 671 . 14 1 1 A 56 56 GLY N N 56 112.118 109.202 2.916 1
1 672 . 14 1 1 A 57 57 TYR H H 57 8.051 8.600 -0.549 1
1 673 . 14 1 1 A 57 57 TYR HA H 57 4.402 4.252 0.150 1
1 680 . 14 1 1 A 57 57 TYR C C 57 176.557 176.205 0.352 1
1 681 . 14 1 1 A 57 57 TYR CA C 57 58.251 61.396 -3.145 1
1 682 . 14 1 1 A 57 57 TYR CB C 57 38.935 36.828 2.107 1
1 683 . 14 1 1 A 57 57 TYR N N 57 120.259 118.756 1.503 1
1 684 . 14 1 1 A 58 58 GLY H H 58 8.335 8.818 -0.483 1
1 685 . 14 1 1 A 58 58 GLY HA2 H 58 3.801 4.156 -0.355 1
1 686 . 14 1 1 A 58 58 GLY HA3 H 58 3.801 4.192 -0.391 1
1 687 . 14 1 1 A 58 58 GLY C C 58 173.911 174.794 -0.883 1
1 688 . 14 1 1 A 58 58 GLY CA C 58 45.311 46.288 -0.977 1
1 689 . 14 1 1 A 58 58 GLY N N 58 110.220 106.443 3.777 1
1 690 . 14 1 1 A 59 59 ASP H H 59 8.161 8.132 0.029 1
1 691 . 14 1 1 A 59 59 ASP HA H 59 4.581 4.526 0.055 1
1 694 . 14 1 1 A 59 59 ASP C C 59 175.189 175.299 -0.110 1
1 695 . 14 1 1 A 59 59 ASP CA C 59 53.570 56.285 -2.715 1
1 696 . 14 1 1 A 59 59 ASP CB C 59 38.750 42.089 -3.339 1
1 697 . 14 1 1 A 59 59 ASP N N 59 118.765 121.181 -2.416 1
1 698 . 14 1 1 A 60 60 ARG H H 60 8.086 7.833 0.253 1
1 699 . 14 1 1 A 60 60 ARG HA H 60 4.152 4.604 -0.452 1
1 711 . 14 1 1 A 60 60 ARG C C 60 176.603 174.654 1.949 1
1 712 . 14 1 1 A 60 60 ARG CA C 60 56.825 53.998 2.827 1
1 713 . 14 1 1 A 60 60 ARG CB C 60 30.935 34.776 -3.841 1
1 716 . 14 1 1 A 60 60 ARG N N 60 120.762 116.915 3.847 1
1 718 . 14 1 1 A 61 61 TYR H H 61 8.117 8.754 -0.637 1
1 719 . 14 1 1 A 61 61 TYR HA H 61 4.488 5.054 -0.566 1
1 726 . 14 1 1 A 61 61 TYR CA C 61 56.688 55.104 1.584 1
1 727 . 14 1 1 A 61 61 TYR CB C 61 39.582 41.232 -1.650 1
1 728 . 14 1 1 A 61 61 TYR N N 61 121.714 118.568 3.146 1
1 729 . 14 1 1 A 62 62 PRO HA H 62 4.383 4.545 -0.162 1
1 736 . 14 1 1 A 62 62 PRO C C 62 177.441 176.512 0.929 1
1 737 . 14 1 1 A 62 62 PRO CA C 62 63.212 62.267 0.945 1
1 738 . 14 1 1 A 62 62 PRO CB C 62 31.939 32.812 -0.873 1
1 741 . 14 1 1 A 63 63 VAL H H 63 8.217 7.893 0.324 1
1 742 . 14 1 1 A 63 63 VAL HA H 63 4.164 4.543 -0.379 1
1 750 . 14 1 1 A 63 63 VAL C C 63 176.576 175.828 0.748 1
1 751 . 14 1 1 A 63 63 VAL CA C 63 62.382 61.295 1.087 1
1 752 . 14 1 1 A 63 63 VAL CB C 63 32.862 32.316 0.546 1
1 755 . 14 1 1 A 63 63 VAL N N 63 120.316 120.508 -0.192 1
1 756 . 14 1 1 A 64 64 THR H H 64 8.084 8.422 -0.338 1
1 757 . 14 1 1 A 64 64 THR HA H 64 4.313 4.538 -0.225 1
1 762 . 14 1 1 A 64 64 THR C C 64 174.558 175.402 -0.844 1
1 763 . 14 1 1 A 64 64 THR CA C 64 62.606 61.921 0.685 1
1 764 . 14 1 1 A 64 64 THR CB C 64 70.496 70.457 0.039 1
1 766 . 14 1 1 A 64 64 THR N N 64 116.779 116.106 0.673 1
1 767 . 14 1 1 A 65 65 GLU H H 65 8.404 7.888 0.516 1
1 768 . 14 1 1 A 65 65 GLU HA H 65 4.314 4.290 0.024 1
1 773 . 14 1 1 A 65 65 GLU C C 65 175.016 177.869 -2.853 1
1 774 . 14 1 1 A 65 65 GLU CA C 65 57.750 56.818 0.932 1
1 775 . 14 1 1 A 65 65 GLU CB C 65 30.083 29.834 0.249 1
1 777 . 14 1 1 A 65 65 GLU N N 65 122.323 121.187 1.136 1
1 778 . 14 1 1 A 66 66 GLU H H 66 8.397 7.933 0.464 1
1 779 . 14 1 1 A 66 66 GLU HA H 66 4.224 4.532 -0.308 1
1 784 . 14 1 1 A 66 66 GLU C C 66 176.855 176.723 0.132 1
1 785 . 14 1 1 A 66 66 GLU CA C 66 58.023 57.033 0.990 1
1 786 . 14 1 1 A 66 66 GLU CB C 66 29.857 30.047 -0.190 1
1 788 . 14 1 1 A 66 66 GLU N N 66 122.201 117.317 4.884 1
1 789 . 14 1 1 A 67 67 GLY H H 67 8.376 7.703 0.673 1
1 790 . 14 1 1 A 67 67 GLY HA2 H 67 3.834 4.042 -0.208 1
1 791 . 14 1 1 A 67 67 GLY HA3 H 67 3.834 4.050 -0.216 1
1 792 . 14 1 1 A 67 67 GLY C C 67 173.071 174.838 -1.767 1
1 793 . 14 1 1 A 67 67 GLY CA C 67 45.871 45.428 0.443 1
1 794 . 14 1 1 A 67 67 GLY N N 67 109.499 108.337 1.162 1
1 795 . 14 1 1 A 68 68 ARG H H 68 8.011 8.818 -0.807 1
1 796 . 14 1 1 A 68 68 ARG HA H 68 4.482 4.193 0.289 1
1 808 . 14 1 1 A 68 68 ARG C C 68 177.494 176.145 1.349 1
1 809 . 14 1 1 A 68 68 ARG CA C 68 57.574 58.214 -0.640 1
1 810 . 14 1 1 A 68 68 ARG CB C 68 30.325 30.163 0.162 1
1 813 . 14 1 1 A 68 68 ARG N N 68 122.501 119.234 3.267 1
1 815 . 14 1 1 A 69 69 LYS H H 69 7.986 8.887 -0.901 1
1 816 . 14 1 1 A 69 69 LYS HA H 69 4.150 4.356 -0.206 1
1 825 . 14 1 1 A 69 69 LYS C C 69 178.168 177.307 0.861 1
1 826 . 14 1 1 A 69 69 LYS CA C 69 57.781 57.017 0.764 1
1 827 . 14 1 1 A 69 69 LYS CB C 69 32.705 32.414 0.291 1
1 831 . 14 1 1 A 69 69 LYS N N 69 120.934 117.894 3.040 1
1 832 . 14 1 1 A 70 70 VAL H H 70 7.848 7.879 -0.031 1
1 833 . 14 1 1 A 70 70 VAL HA H 70 4.088 3.677 0.411 1
1 841 . 14 1 1 A 70 70 VAL C C 70 175.998 177.885 -1.887 1
1 842 . 14 1 1 A 70 70 VAL CA C 70 64.206 66.293 -2.087 1
1 843 . 14 1 1 A 70 70 VAL CB C 70 31.873 31.546 0.327 1
1 846 . 14 1 1 A 70 70 VAL N N 70 120.324 119.715 0.609 1
1 847 . 14 1 1 A 71 71 ALA H H 71 8.300 8.230 0.070 1
1 848 . 14 1 1 A 71 71 ALA HA H 71 4.221 4.033 0.188 1
1 852 . 14 1 1 A 71 71 ALA C C 71 178.225 179.036 -0.811 1
1 853 . 14 1 1 A 71 71 ALA CA C 71 53.106 55.814 -2.708 1
1 854 . 14 1 1 A 71 71 ALA CB C 71 19.128 18.283 0.845 1
1 855 . 14 1 1 A 71 71 ALA N N 71 127.025 122.331 4.694 1
1 856 . 14 1 1 A 72 72 GLU H H 72 8.181 8.227 -0.046 1
1 857 . 14 1 1 A 72 72 GLU HA H 72 4.219 4.042 0.177 1
1 862 . 14 1 1 A 72 72 GLU C C 72 176.779 178.526 -1.747 1
1 863 . 14 1 1 A 72 72 GLU CA C 72 56.776 59.615 -2.839 1
1 864 . 14 1 1 A 72 72 GLU CB C 72 28.610 29.070 -0.460 1
1 866 . 14 1 1 A 72 72 GLU N N 72 123.008 118.222 4.786 1
1 867 . 14 1 1 A 73 73 GLN H H 73 8.132 7.668 0.464 1
1 868 . 14 1 1 A 73 73 GLN HA H 73 4.141 4.087 0.054 1
1 875 . 14 1 1 A 73 73 GLN C C 73 175.803 178.716 -2.913 1
1 876 . 14 1 1 A 73 73 GLN CA C 73 56.456 58.663 -2.207 1
1 877 . 14 1 1 A 73 73 GLN CB C 73 28.290 28.770 -0.480 1
1 879 . 14 1 1 A 73 73 GLN N N 73 120.564 120.075 0.489 1
1 881 . 14 1 1 A 74 74 VAL H H 74 8.088 7.667 0.421 1
1 882 . 14 1 1 A 74 74 VAL HA H 74 3.986 3.512 0.474 1
1 890 . 14 1 1 A 74 74 VAL C C 74 176.167 177.183 -1.016 1
1 891 . 14 1 1 A 74 74 VAL CA C 74 63.123 66.269 -3.146 1
1 892 . 14 1 1 A 74 74 VAL CB C 74 30.082 31.275 -1.193 1
1 895 . 14 1 1 A 74 74 VAL N N 74 121.828 119.512 2.316 1
1 896 . 14 1 1 A 75 75 MET H H 75 8.167 8.391 -0.224 1
1 897 . 14 1 1 A 75 75 MET HA H 75 4.093 3.992 0.101 1
1 903 . 14 1 1 A 75 75 MET C C 75 176.455 178.237 -1.782 1
1 904 . 14 1 1 A 75 75 MET N N 75 123.990 118.725 5.265 1
1 905 . 14 1 1 A 76 76 LYS H H 76 8.287 7.908 0.379 1
1 906 . 14 1 1 A 76 76 LYS HA H 76 4.234 4.036 0.198 1
1 915 . 14 1 1 A 76 76 LYS C C 76 176.220 178.316 -2.096 1
1 916 . 14 1 1 A 76 76 LYS CA C 76 56.765 58.763 -1.998 1
1 917 . 14 1 1 A 76 76 LYS CB C 76 33.055 32.315 0.740 1
1 921 . 14 1 1 A 76 76 LYS N N 76 122.725 119.866 2.859 1
1 922 . 14 1 1 A 77 77 ALA H H 77 8.308 8.276 0.032 1
1 923 . 14 1 1 A 77 77 ALA HA H 77 4.213 3.985 0.228 1
1 927 . 14 1 1 A 77 77 ALA C C 77 178.097 179.954 -1.857 1
1 928 . 14 1 1 A 77 77 ALA CA C 77 52.740 54.987 -2.247 1
1 929 . 14 1 1 A 77 77 ALA CB C 77 19.427 18.425 1.002 1
1 930 . 14 1 1 A 77 77 ALA N N 77 125.316 121.956 3.360 1
1 931 . 14 1 1 A 78 78 GLY H H 78 8.284 8.136 0.148 1
1 932 . 14 1 1 A 78 78 GLY HA2 H 78 3.873 3.484 0.389 1
1 933 . 14 1 1 A 78 78 GLY HA3 H 78 3.873 3.697 0.176 1
1 934 . 14 1 1 A 78 78 GLY C C 78 174.065 175.612 -1.547 1
1 935 . 14 1 1 A 78 78 GLY CA C 78 45.497 47.371 -1.874 1
1 936 . 14 1 1 A 78 78 GLY N N 78 107.778 105.709 2.069 1
1 937 . 14 1 1 A 79 79 ILE H H 79 7.882 7.871 0.011 1
1 938 . 14 1 1 A 79 79 ILE HA H 79 4.119 3.920 0.199 1
1 948 . 14 1 1 A 79 79 ILE C C 79 176.160 178.240 -2.080 1
1 949 . 14 1 1 A 79 79 ILE CA C 79 61.436 64.391 -2.955 1
1 950 . 14 1 1 A 79 79 ILE CB C 79 38.904 36.796 2.108 1
1 954 . 14 1 1 A 79 79 ILE N N 79 119.794 122.142 -2.348 1
1 955 . 14 1 1 A 80 80 GLU H H 80 8.354 8.413 -0.059 1
1 956 . 14 1 1 A 80 80 GLU HA H 80 4.282 4.032 0.250 1
1 961 . 14 1 1 A 80 80 GLU C C 80 176.174 179.549 -3.375 1
1 962 . 14 1 1 A 80 80 GLU CA C 80 57.178 59.493 -2.315 1
1 963 . 14 1 1 A 80 80 GLU CB C 80 30.019 29.632 0.387 1
1 965 . 14 1 1 A 80 80 GLU N N 80 124.311 122.100 2.211 1
1 966 . 14 1 1 A 81 81 VAL H H 81 8.205 7.936 0.269 1
1 967 . 14 1 1 A 81 81 VAL HA H 81 3.985 3.494 0.491 1
1 975 . 14 1 1 A 81 81 VAL C C 81 175.815 177.881 -2.066 1
1 976 . 14 1 1 A 81 81 VAL CA C 81 62.865 66.359 -3.494 1
1 977 . 14 1 1 A 81 81 VAL CB C 81 32.629 31.493 1.136 1
1 980 . 14 1 1 A 81 81 VAL N N 81 121.106 121.326 -0.220 1
1 981 . 14 1 1 A 82 82 PHE H H 82 8.252 7.902 0.350 1
1 982 . 14 1 1 A 82 82 PHE HA H 82 4.551 4.411 0.140 1
1 990 . 14 1 1 A 82 82 PHE C C 82 175.631 177.108 -1.477 1
1 991 . 14 1 1 A 82 82 PHE CA C 82 58.206 60.692 -2.486 1
1 992 . 14 1 1 A 82 82 PHE CB C 82 39.431 38.100 1.331 1
1 993 . 14 1 1 A 82 82 PHE N N 82 123.622 117.918 5.704 1
1 994 . 14 1 1 A 83 83 ALA H H 83 8.184 7.446 0.738 1
1 995 . 14 1 1 A 83 83 ALA HA H 83 4.230 4.401 -0.171 1
1 999 . 14 1 1 A 83 83 ALA C C 83 178.025 180.106 -2.081 1
1 1000 . 14 1 1 A 83 83 ALA CA C 83 52.731 54.061 -1.330 1
1 1001 . 14 1 1 A 83 83 ALA CB C 83 19.359 19.208 0.151 1
1 1002 . 14 1 1 A 83 83 ALA N N 83 125.081 122.279 2.802 1
1 1003 . 14 1 1 A 84 84 LEU H H 84 8.104 8.156 -0.052 1
1 1004 . 14 1 1 A 84 84 LEU HA H 84 4.167 4.059 0.108 1
1 1014 . 14 1 1 A 84 84 LEU C C 84 176.390 178.601 -2.211 1
1 1015 . 14 1 1 A 84 84 LEU CA C 84 55.786 57.718 -1.932 1
1 1016 . 14 1 1 A 84 84 LEU CB C 84 42.179 41.618 0.561 1
1 1020 . 14 1 1 A 84 84 LEU N N 84 119.064 120.878 -1.814 1
1 1021 . 14 1 1 A 85 85 VAL H H 85 8.155 7.500 0.655 1
1 1022 . 14 1 1 A 85 85 VAL HA H 85 4.073 3.998 0.075 1
1 1030 . 14 1 1 A 85 85 VAL C C 85 176.521 177.732 -1.211 1
1 1031 . 14 1 1 A 85 85 VAL CA C 85 62.762 64.922 -2.160 1
1 1032 . 14 1 1 A 85 85 VAL CB C 85 32.498 31.506 0.992 1
1 1035 . 14 1 1 A 85 85 VAL N N 85 121.743 114.746 6.997 1
1 1036 . 14 1 1 A 86 86 THR H H 86 8.052 7.924 0.128 1
1 1037 . 14 1 1 A 86 86 THR HA H 86 4.141 4.027 0.114 1
1 1042 . 14 1 1 A 86 86 THR C C 86 174.706 176.359 -1.653 1
1 1043 . 14 1 1 A 86 86 THR CA C 86 62.351 65.918 -3.567 1
1 1044 . 14 1 1 A 86 86 THR CB C 86 69.618 68.377 1.241 1
1 1046 . 14 1 1 A 86 86 THR N N 86 117.693 116.013 1.680 1
1 1047 . 14 1 1 A 87 87 ALA H H 87 8.216 8.203 0.013 1
1 1048 . 14 1 1 A 87 87 ALA HA H 87 4.170 3.978 0.192 1
1 1052 . 14 1 1 A 87 87 ALA C C 87 178.003 179.648 -1.645 1
1 1053 . 14 1 1 A 87 87 ALA CA C 87 52.967 55.251 -2.284 1
1 1054 . 14 1 1 A 87 87 ALA CB C 87 18.326 18.117 0.209 1
1 1055 . 14 1 1 A 87 87 ALA N N 87 126.174 123.534 2.640 1
1 1056 . 14 1 1 A 88 88 ALA H H 88 8.129 8.103 0.026 1
1 1057 . 14 1 1 A 88 88 ALA HA H 88 4.147 4.012 0.135 1
1 1061 . 14 1 1 A 88 88 ALA C C 88 178.246 180.162 -1.916 1
1 1062 . 14 1 1 A 88 88 ALA CA C 88 52.961 54.758 -1.797 1
1 1063 . 14 1 1 A 88 88 ALA CB C 88 19.290 18.704 0.586 1
1 1064 . 14 1 1 A 88 88 ALA N N 88 122.649 120.529 2.120 1
1 1065 . 14 1 1 A 89 89 LEU H H 89 7.992 7.830 0.162 1
1 1066 . 14 1 1 A 89 89 LEU HA H 89 4.153 4.109 0.044 1
1 1076 . 14 1 1 A 89 89 LEU C C 89 176.375 179.295 -2.920 1
1 1077 . 14 1 1 A 89 89 LEU CA C 89 57.099 58.064 -0.965 1
1 1078 . 14 1 1 A 89 89 LEU CB C 89 42.055 41.238 0.817 1
1 1082 . 14 1 1 A 89 89 LEU N N 89 120.616 120.520 0.096 1
1 1083 . 14 1 1 A 90 90 ALA H H 90 8.168 8.305 -0.137 1
1 1084 . 14 1 1 A 90 90 ALA HA H 90 4.218 4.286 -0.068 1
1 1088 . 14 1 1 A 90 90 ALA C C 90 178.487 178.412 0.075 1
1 1089 . 14 1 1 A 90 90 ALA CA C 90 53.043 54.310 -1.267 1
1 1090 . 14 1 1 A 90 90 ALA CB C 90 19.269 18.462 0.807 1
1 1091 . 14 1 1 A 90 90 ALA N N 90 124.243 121.463 2.780 1
1 1092 . 14 1 1 A 91 91 THR H H 91 7.988 7.772 0.216 1
1 1093 . 14 1 1 A 91 91 THR HA H 91 4.181 4.136 0.045 1
1 1098 . 14 1 1 A 91 91 THR C C 91 174.931 175.269 -0.338 1
1 1099 . 14 1 1 A 91 91 THR CA C 91 62.190 62.705 -0.515 1
1 1100 . 14 1 1 A 91 91 THR CB C 91 69.198 69.031 0.167 1
1 1102 . 14 1 1 A 91 91 THR N N 91 112.659 113.115 -0.456 1
1 1103 . 14 1 1 A 92 92 ASP H H 92 8.254 8.336 -0.082 1
1 1104 . 14 1 1 A 92 92 ASP HA H 92 4.541 4.476 0.065 1
1 1107 . 14 1 1 A 92 92 ASP C C 92 175.823 178.246 -2.423 1
1 1108 . 14 1 1 A 92 92 ASP CA C 92 53.570 56.590 -3.020 1
1 1109 . 14 1 1 A 92 92 ASP CB C 92 38.750 40.788 -2.038 1
1 1110 . 14 1 1 A 92 92 ASP N N 92 120.688 121.890 -1.202 1
1 1111 . 14 1 1 A 93 93 PHE H H 93 8.048 8.154 -0.106 1
1 1112 . 14 1 1 A 93 93 PHE HA H 93 4.547 4.405 0.142 1
1 1120 . 14 1 1 A 93 93 PHE C C 93 176.384 177.732 -1.348 1
1 1121 . 14 1 1 A 93 93 PHE CA C 93 58.633 59.818 -1.185 1
1 1122 . 14 1 1 A 93 93 PHE CB C 93 39.451 37.939 1.512 1
1 1123 . 14 1 1 A 93 93 PHE N N 93 120.763 117.784 2.979 1
1 1124 . 14 1 1 A 94 94 VAL H H 94 7.904 7.755 0.149 1
1 1125 . 14 1 1 A 94 94 VAL HA H 94 4.364 3.077 1.287 1
1 1133 . 14 1 1 A 94 94 VAL C C 94 176.851 178.075 -1.224 1
1 1134 . 14 1 1 A 94 94 VAL CA C 94 63.297 65.829 -2.532 1
1 1135 . 14 1 1 A 94 94 VAL CB C 94 29.241 30.890 -1.649 1
1 1138 . 14 1 1 A 94 94 VAL N N 94 121.478 120.717 0.761 1
1 1139 . 14 1 1 A 95 95 ARG H H 95 8.146 7.626 0.520 1
1 1140 . 14 1 1 A 95 95 ARG HA H 95 4.134 4.022 0.112 1
1 1152 . 14 1 1 A 95 95 ARG C C 95 177.395 178.700 -1.305 1
1 1153 . 14 1 1 A 95 95 ARG CA C 95 55.978 58.795 -2.817 1
1 1154 . 14 1 1 A 95 95 ARG CB C 95 31.070 29.652 1.418 1
1 1157 . 14 1 1 A 95 95 ARG N N 95 122.920 120.309 2.611 1
1 1159 . 14 1 1 A 96 96 ARG H H 96 8.313 8.421 -0.108 1
1 1160 . 14 1 1 A 96 96 ARG HA H 96 4.180 4.056 0.124 1
1 1172 . 14 1 1 A 96 96 ARG C C 96 176.839 178.039 -1.200 1
1 1173 . 14 1 1 A 96 96 ARG CA C 96 56.831 59.167 -2.336 1
1 1174 . 14 1 1 A 96 96 ARG CB C 96 30.952 30.078 0.874 1
1 1177 . 14 1 1 A 96 96 ARG N N 96 121.064 117.489 3.575 1
1 1179 . 14 1 1 A 97 97 GLU H H 97 8.356 8.175 0.181 1
1 1180 . 14 1 1 A 97 97 GLU HA H 97 4.220 4.179 0.041 1
1 1185 . 14 1 1 A 97 97 GLU C C 97 176.319 179.218 -2.899 1
1 1186 . 14 1 1 A 97 97 GLU CA C 97 57.408 59.071 -1.663 1
1 1187 . 14 1 1 A 97 97 GLU CB C 97 28.610 28.987 -0.377 1
1 1189 . 14 1 1 A 97 97 GLU N N 97 121.754 118.940 2.814 1
1 1190 . 14 1 1 A 98 98 GLU H H 98 8.328 8.356 -0.028 1
1 1191 . 14 1 1 A 98 98 GLU HA H 98 4.240 4.131 0.109 1
1 1196 . 14 1 1 A 98 98 GLU C C 98 176.132 179.322 -3.190 1
1 1197 . 14 1 1 A 98 98 GLU CA C 98 57.666 59.289 -1.623 1
1 1198 . 14 1 1 A 98 98 GLU CB C 98 30.045 29.378 0.667 1
1 1200 . 14 1 1 A 98 98 GLU N N 98 121.414 121.093 0.321 1
1 1201 . 14 1 1 A 99 99 GLU H H 99 8.418 7.876 0.542 1
1 1202 . 14 1 1 A 99 99 GLU HA H 99 4.299 4.140 0.159 1
1 1207 . 14 1 1 A 99 99 GLU C C 99 177.021 179.321 -2.300 1
1 1208 . 14 1 1 A 99 99 GLU CA C 99 57.397 59.180 -1.783 1
1 1209 . 14 1 1 A 99 99 GLU CB C 99 30.309 29.597 0.712 1
1 1211 . 14 1 1 A 99 99 GLU N N 99 121.312 120.451 0.861 1
1 1212 . 14 1 1 A 100 100 ARG H H 100 8.013 8.725 -0.712 1
1 1213 . 14 1 1 A 100 100 ARG HA H 100 4.180 4.016 0.164 1
1 1225 . 14 1 1 A 100 100 ARG C C 100 176.313 178.462 -2.149 1
1 1226 . 14 1 1 A 100 100 ARG CA C 100 57.238 59.445 -2.207 1
1 1227 . 14 1 1 A 100 100 ARG CB C 100 30.298 29.916 0.382 1
1 1230 . 14 1 1 A 100 100 ARG N N 100 121.871 119.983 1.888 1
1 1232 . 14 1 1 A 101 101 ARG H H 101 8.260 7.501 0.759 1
1 1233 . 14 1 1 A 101 101 ARG HA H 101 4.260 4.332 -0.072 1
1 1245 . 14 1 1 A 101 101 ARG C C 101 176.753 177.080 -0.327 1
1 1246 . 14 1 1 A 101 101 ARG CA C 101 56.492 55.946 0.546 1
1 1247 . 14 1 1 A 101 101 ARG CB C 101 30.838 31.036 -0.198 1
1 1250 . 14 1 1 A 101 101 ARG N N 101 122.019 115.836 6.183 1
1 1252 . 14 1 1 A 102 102 GLY H H 102 8.380 7.977 0.403 1
1 1253 . 14 1 1 A 102 102 GLY HA2 H 102 3.849 3.888 -0.039 1
1 1254 . 14 1 1 A 102 102 GLY HA3 H 102 3.849 3.901 -0.052 1
1 1255 . 14 1 1 A 102 102 GLY C C 102 173.145 174.772 -1.627 1
1 1256 . 14 1 1 A 102 102 GLY CA C 102 45.401 46.450 -1.049 1
1 1257 . 14 1 1 A 102 102 GLY N N 102 110.110 108.174 1.936 1
1 9 . 15 1 1 A 2 2 ALA H H 2 8.742 8.113 0.629 1
1 10 . 15 1 1 A 2 2 ALA HA H 2 4.302 4.010 0.292 1
1 14 . 15 1 1 A 2 2 ALA C C 2 177.216 178.440 -1.224 1
1 15 . 15 1 1 A 2 2 ALA CA C 2 52.876 54.243 -1.367 1
1 16 . 15 1 1 A 2 2 ALA CB C 2 19.182 18.837 0.345 1
1 17 . 15 1 1 A 2 2 ALA N N 2 124.657 122.905 1.752 1
1 18 . 15 1 1 A 3 3 ASP H H 3 8.432 8.135 0.297 1
1 19 . 15 1 1 A 3 3 ASP HA H 3 4.530 4.736 -0.206 1
1 22 . 15 1 1 A 3 3 ASP C C 3 176.023 176.991 -0.968 1
1 23 . 15 1 1 A 3 3 ASP CA C 3 53.721 54.859 -1.138 1
1 24 . 15 1 1 A 3 3 ASP CB C 3 38.752 42.450 -3.698 1
1 25 . 15 1 1 A 3 3 ASP N N 3 118.729 116.985 1.744 1
1 26 . 15 1 1 A 4 4 HIS H H 4 8.549 7.452 1.097 1
1 27 . 15 1 1 A 4 4 HIS HA H 4 4.568 4.438 0.130 1
1 32 . 15 1 1 A 4 4 HIS C C 4 175.101 177.244 -2.143 1
1 33 . 15 1 1 A 4 4 HIS CA C 4 56.640 58.417 -1.777 1
1 34 . 15 1 1 A 4 4 HIS CB C 4 28.961 28.244 0.717 1
1 37 . 15 1 1 A 4 4 HIS N N 4 119.650 116.577 3.073 1
1 38 . 15 1 1 A 5 5 GLU H H 5 8.330 8.485 -0.155 1
1 39 . 15 1 1 A 5 5 GLU HA H 5 4.207 3.880 0.327 1
1 44 . 15 1 1 A 5 5 GLU C C 5 175.749 179.237 -3.488 1
1 45 . 15 1 1 A 5 5 GLU CA C 5 56.594 60.319 -3.725 1
1 46 . 15 1 1 A 5 5 GLU CB C 5 29.285 29.245 0.040 1
1 48 . 15 1 1 A 5 5 GLU N N 5 120.937 121.125 -0.188 1
1 49 . 15 1 1 A 6 6 ARG H H 6 8.325 7.711 0.614 1
1 50 . 15 1 1 A 6 6 ARG HA H 6 4.571 4.198 0.373 1
1 62 . 15 1 1 A 6 6 ARG C C 6 177.578 179.082 -1.504 1
1 63 . 15 1 1 A 6 6 ARG CA C 6 56.716 58.261 -1.545 1
1 64 . 15 1 1 A 6 6 ARG CB C 6 30.744 29.840 0.904 1
1 67 . 15 1 1 A 6 6 ARG N N 6 120.267 118.965 1.302 1
1 69 . 15 1 1 A 7 7 GLU H H 7 8.136 8.003 0.133 1
1 70 . 15 1 1 A 7 7 GLU HA H 7 4.165 4.129 0.036 1
1 75 . 15 1 1 A 7 7 GLU C C 7 177.156 178.305 -1.149 1
1 76 . 15 1 1 A 7 7 GLU CA C 7 57.125 59.019 -1.894 1
1 77 . 15 1 1 A 7 7 GLU CB C 7 30.149 29.268 0.881 1
1 79 . 15 1 1 A 7 7 GLU N N 7 121.008 119.608 1.400 1
1 80 . 15 1 1 A 8 8 ALA H H 8 8.325 8.218 0.107 1
1 81 . 15 1 1 A 8 8 ALA HA H 8 4.212 4.051 0.161 1
1 85 . 15 1 1 A 8 8 ALA C C 8 178.913 179.085 -0.172 1
1 86 . 15 1 1 A 8 8 ALA CA C 8 52.832 55.419 -2.587 1
1 87 . 15 1 1 A 8 8 ALA CB C 8 18.909 18.304 0.605 1
1 88 . 15 1 1 A 8 8 ALA N N 8 124.538 122.454 2.084 1
1 89 . 15 1 1 A 9 9 GLN H H 9 8.159 7.918 0.241 1
1 90 . 15 1 1 A 9 9 GLN HA H 9 4.140 3.994 0.146 1
1 97 . 15 1 1 A 9 9 GLN C C 9 175.771 177.687 -1.916 1
1 98 . 15 1 1 A 9 9 GLN CA C 9 57.655 59.205 -1.550 1
1 99 . 15 1 1 A 9 9 GLN CB C 9 28.606 28.311 0.295 1
1 101 . 15 1 1 A 9 9 GLN N N 9 124.103 117.848 6.255 1
1 103 . 15 1 1 A 10 10 LYS H H 10 8.148 7.692 0.456 1
1 104 . 15 1 1 A 10 10 LYS HA H 10 4.204 4.116 0.088 1
1 113 . 15 1 1 A 10 10 LYS C C 10 177.798 178.378 -0.580 1
1 114 . 15 1 1 A 10 10 LYS CA C 10 57.139 58.654 -1.515 1
1 115 . 15 1 1 A 10 10 LYS CB C 10 33.040 32.200 0.840 1
1 119 . 15 1 1 A 10 10 LYS N N 10 120.635 118.943 1.692 1
1 120 . 15 1 1 A 11 11 ALA H H 11 8.148 8.132 0.016 1
1 121 . 15 1 1 A 11 11 ALA HA H 11 4.140 4.008 0.132 1
1 125 . 15 1 1 A 11 11 ALA C C 11 178.173 180.181 -2.008 1
1 126 . 15 1 1 A 11 11 ALA CA C 11 53.351 54.873 -1.522 1
1 127 . 15 1 1 A 11 11 ALA CB C 11 19.128 18.057 1.071 1
1 128 . 15 1 1 A 11 11 ALA N N 11 123.171 121.944 1.227 1
1 129 . 15 1 1 A 12 12 GLU H H 12 8.248 7.765 0.483 1
1 130 . 15 1 1 A 12 12 GLU HA H 12 4.222 4.056 0.166 1
1 135 . 15 1 1 A 12 12 GLU C C 12 176.385 179.242 -2.857 1
1 136 . 15 1 1 A 12 12 GLU CA C 12 57.442 59.453 -2.011 1
1 137 . 15 1 1 A 12 12 GLU CB C 12 30.001 29.163 0.838 1
1 139 . 15 1 1 A 12 12 GLU N N 12 119.451 118.443 1.008 1
1 140 . 15 1 1 A 13 13 GLU H H 13 8.372 7.855 0.517 1
1 141 . 15 1 1 A 13 13 GLU HA H 13 4.265 4.104 0.161 1
1 146 . 15 1 1 A 13 13 GLU C C 13 178.060 179.157 -1.097 1
1 147 . 15 1 1 A 13 13 GLU CA C 13 56.828 59.187 -2.359 1
1 148 . 15 1 1 A 13 13 GLU CB C 13 30.082 29.059 1.023 1
1 150 . 15 1 1 A 13 13 GLU N N 13 121.080 120.063 1.017 1
1 151 . 15 1 1 A 14 14 GLU H H 14 8.152 7.808 0.344 1
1 152 . 15 1 1 A 14 14 GLU HA H 14 4.142 4.028 0.114 1
1 157 . 15 1 1 A 14 14 GLU C C 14 176.274 179.480 -3.206 1
1 158 . 15 1 1 A 14 14 GLU CA C 14 56.892 59.010 -2.118 1
1 159 . 15 1 1 A 14 14 GLU CB C 14 28.169 29.369 -1.200 1
1 161 . 15 1 1 A 14 14 GLU N N 14 120.236 119.666 0.570 1
1 162 . 15 1 1 A 15 15 LEU H H 15 8.301 7.742 0.559 1
1 163 . 15 1 1 A 15 15 LEU HA H 15 4.224 4.035 0.189 1
1 173 . 15 1 1 A 15 15 LEU C C 15 177.983 178.726 -0.743 1
1 174 . 15 1 1 A 15 15 LEU CA C 15 56.344 57.602 -1.258 1
1 175 . 15 1 1 A 15 15 LEU CB C 15 42.250 41.826 0.424 1
1 179 . 15 1 1 A 15 15 LEU N N 15 123.072 121.161 1.911 1
1 180 . 15 1 1 A 16 16 GLN H H 16 8.132 7.941 0.191 1
1 181 . 15 1 1 A 16 16 GLN HA H 16 4.145 3.945 0.200 1
1 188 . 15 1 1 A 16 16 GLN C C 16 177.674 178.808 -1.134 1
1 189 . 15 1 1 A 16 16 GLN CA C 16 57.971 59.091 -1.120 1
1 190 . 15 1 1 A 16 16 GLN CB C 16 29.889 28.421 1.468 1
1 192 . 15 1 1 A 16 16 GLN N N 16 119.160 118.230 0.930 1
1 194 . 15 1 1 A 17 17 LYS H H 17 8.214 7.322 0.892 1
1 195 . 15 1 1 A 17 17 LYS HA H 17 4.140 4.135 0.005 1
1 204 . 15 1 1 A 17 17 LYS C C 17 177.646 178.969 -1.323 1
1 205 . 15 1 1 A 17 17 LYS CA C 17 57.115 58.995 -1.880 1
1 206 . 15 1 1 A 17 17 LYS CB C 17 32.833 32.389 0.444 1
1 210 . 15 1 1 A 17 17 LYS N N 17 120.310 121.237 -0.927 1
1 211 . 15 1 1 A 18 18 VAL H H 18 7.871 7.526 0.345 1
1 212 . 15 1 1 A 18 18 VAL HA H 18 4.108 3.590 0.518 1
1 220 . 15 1 1 A 18 18 VAL C C 18 177.476 178.096 -0.620 1
1 221 . 15 1 1 A 18 18 VAL CA C 18 63.634 66.203 -2.569 1
1 222 . 15 1 1 A 18 18 VAL CB C 18 31.886 31.509 0.377 1
1 225 . 15 1 1 A 18 18 VAL N N 18 120.571 119.605 0.966 1
1 226 . 15 1 1 A 19 19 LEU H H 19 8.180 8.310 -0.130 1
1 227 . 15 1 1 A 19 19 LEU HA H 19 4.042 3.931 0.111 1
1 237 . 15 1 1 A 19 19 LEU C C 19 179.462 179.747 -0.285 1
1 238 . 15 1 1 A 19 19 LEU CA C 19 57.653 58.145 -0.492 1
1 239 . 15 1 1 A 19 19 LEU CB C 19 41.800 41.291 0.509 1
1 243 . 15 1 1 A 19 19 LEU N N 19 122.936 120.456 2.480 1
1 244 . 15 1 1 A 20 20 GLU H H 20 8.122 8.137 -0.015 1
1 245 . 15 1 1 A 20 20 GLU HA H 20 4.156 4.044 0.112 1
1 250 . 15 1 1 A 20 20 GLU C C 20 178.001 178.807 -0.806 1
1 251 . 15 1 1 A 20 20 GLU CA C 20 58.045 59.406 -1.361 1
1 252 . 15 1 1 A 20 20 GLU CB C 20 30.092 29.308 0.784 1
1 254 . 15 1 1 A 20 20 GLU N N 20 118.745 120.376 -1.631 1
1 255 . 15 1 1 A 21 21 GLU H H 21 8.190 8.099 0.091 1
1 256 . 15 1 1 A 21 21 GLU HA H 21 4.144 4.099 0.045 1
1 261 . 15 1 1 A 21 21 GLU C C 21 177.290 178.586 -1.296 1
1 262 . 15 1 1 A 21 21 GLU CA C 21 58.109 59.469 -1.360 1
1 263 . 15 1 1 A 21 21 GLU CB C 21 29.868 29.514 0.354 1
1 265 . 15 1 1 A 21 21 GLU N N 21 119.542 119.859 -0.317 1
1 266 . 15 1 1 A 22 22 ALA H H 22 8.092 8.394 -0.302 1
1 267 . 15 1 1 A 22 22 ALA HA H 22 4.173 4.180 -0.007 1
1 271 . 15 1 1 A 22 22 ALA C C 22 179.020 179.754 -0.734 1
1 272 . 15 1 1 A 22 22 ALA CA C 22 53.944 55.043 -1.099 1
1 273 . 15 1 1 A 22 22 ALA CB C 22 18.578 18.279 0.299 1
1 274 . 15 1 1 A 22 22 ALA N N 22 123.378 122.499 0.879 1
1 275 . 15 1 1 A 23 23 SER H H 23 8.079 8.362 -0.283 1
1 276 . 15 1 1 A 23 23 SER HA H 23 4.300 4.329 -0.029 1
1 279 . 15 1 1 A 23 23 SER C C 23 173.125 176.599 -3.474 1
1 280 . 15 1 1 A 23 23 SER CA C 23 59.414 61.657 -2.243 1
1 281 . 15 1 1 A 23 23 SER CB C 23 63.520 62.549 0.971 1
1 282 . 15 1 1 A 23 23 SER N N 23 114.637 112.892 1.745 1
1 283 . 15 1 1 A 24 24 LYS H H 24 8.032 7.473 0.559 1
1 284 . 15 1 1 A 24 24 LYS HA H 24 4.325 3.981 0.344 1
1 293 . 15 1 1 A 24 24 LYS C C 24 175.423 179.460 -4.037 1
1 294 . 15 1 1 A 24 24 LYS CA C 24 57.273 59.335 -2.062 1
1 295 . 15 1 1 A 24 24 LYS CB C 24 31.200 32.399 -1.199 1
1 299 . 15 1 1 A 24 24 LYS N N 24 122.635 121.881 0.754 1
1 300 . 15 1 1 A 25 25 LYS H H 25 8.042 7.697 0.345 1
1 301 . 15 1 1 A 25 25 LYS HA H 25 4.169 4.147 0.022 1
1 310 . 15 1 1 A 25 25 LYS C C 25 177.025 179.103 -2.078 1
1 311 . 15 1 1 A 25 25 LYS CA C 25 56.876 58.826 -1.950 1
1 312 . 15 1 1 A 25 25 LYS CB C 25 31.200 32.115 -0.915 1
1 316 . 15 1 1 A 25 25 LYS N N 25 121.079 119.284 1.795 1
1 317 . 15 1 1 A 26 26 ALA H H 26 8.103 7.982 0.121 1
1 318 . 15 1 1 A 26 26 ALA HA H 26 4.196 3.892 0.304 1
1 322 . 15 1 1 A 26 26 ALA C C 26 178.418 179.546 -1.128 1
1 323 . 15 1 1 A 26 26 ALA CA C 26 53.049 54.959 -1.910 1
1 324 . 15 1 1 A 26 26 ALA CB C 26 19.055 18.215 0.840 1
1 325 . 15 1 1 A 26 26 ALA N N 26 124.589 122.211 2.378 1
1 326 . 15 1 1 A 27 27 VAL H H 27 8.030 7.276 0.754 1
1 327 . 15 1 1 A 27 27 VAL HA H 27 3.945 3.667 0.278 1
1 335 . 15 1 1 A 27 27 VAL C C 27 179.177 177.826 1.351 1
1 336 . 15 1 1 A 27 27 VAL CA C 27 63.001 64.833 -1.832 1
1 337 . 15 1 1 A 27 27 VAL CB C 27 32.449 31.026 1.423 1
1 340 . 15 1 1 A 27 27 VAL N N 27 119.340 116.281 3.059 1
1 341 . 15 1 1 A 28 28 GLU H H 28 8.187 7.702 0.485 1
1 342 . 15 1 1 A 28 28 GLU HA H 28 4.166 4.016 0.150 1
1 347 . 15 1 1 A 28 28 GLU C C 28 176.411 179.144 -2.733 1
1 348 . 15 1 1 A 28 28 GLU CA C 28 57.290 59.049 -1.759 1
1 349 . 15 1 1 A 28 28 GLU CB C 28 30.025 28.559 1.466 1
1 351 . 15 1 1 A 28 28 GLU N N 28 120.351 121.186 -0.835 1
1 352 . 15 1 1 A 29 29 ALA H H 29 8.173 8.126 0.047 1
1 353 . 15 1 1 A 29 29 ALA HA H 29 4.230 3.997 0.233 1
1 357 . 15 1 1 A 29 29 ALA C C 29 176.924 179.169 -2.245 1
1 358 . 15 1 1 A 29 29 ALA CA C 29 53.338 54.619 -1.281 1
1 359 . 15 1 1 A 29 29 ALA CB C 29 18.964 18.107 0.857 1
1 360 . 15 1 1 A 29 29 ALA N N 29 124.463 122.564 1.899 1
1 361 . 15 1 1 A 30 30 GLU H H 30 8.239 7.499 0.740 1
1 362 . 15 1 1 A 30 30 GLU HA H 30 4.251 4.195 0.056 1
1 367 . 15 1 1 A 30 30 GLU C C 30 175.016 176.799 -1.783 1
1 368 . 15 1 1 A 30 30 GLU CA C 30 58.033 57.935 0.098 1
1 369 . 15 1 1 A 30 30 GLU CB C 30 29.996 29.067 0.929 1
1 371 . 15 1 1 A 30 30 GLU N N 30 122.971 115.714 7.257 1
1 372 . 15 1 1 A 31 31 ARG H H 31 8.261 7.664 0.597 1
1 373 . 15 1 1 A 31 31 ARG HA H 31 4.255 4.461 -0.206 1
1 385 . 15 1 1 A 31 31 ARG C C 31 176.727 176.387 0.340 1
1 386 . 15 1 1 A 31 31 ARG CA C 31 56.565 55.152 1.413 1
1 387 . 15 1 1 A 31 31 ARG CB C 31 30.783 28.622 2.161 1
1 390 . 15 1 1 A 31 31 ARG N N 31 121.894 118.303 3.591 1
1 392 . 15 1 1 A 32 32 GLY H H 32 8.302 7.886 0.416 1
1 393 . 15 1 1 A 32 32 GLY HA2 H 32 3.852 4.028 -0.176 1
1 394 . 15 1 1 A 32 32 GLY HA3 H 32 3.852 4.030 -0.178 1
1 395 . 15 1 1 A 32 32 GLY C C 32 173.994 174.433 -0.439 1
1 396 . 15 1 1 A 32 32 GLY CA C 32 45.077 45.502 -0.425 1
1 397 . 15 1 1 A 32 32 GLY N N 32 109.773 112.471 -2.698 1
1 398 . 15 1 1 A 33 33 ALA H H 33 8.011 7.702 0.309 1
1 399 . 15 1 1 A 33 33 ALA HA H 33 4.212 4.614 -0.402 1
1 403 . 15 1 1 A 33 33 ALA CA C 33 50.522 50.403 0.119 1
1 404 . 15 1 1 A 33 33 ALA CB C 33 18.962 19.785 -0.823 1
1 405 . 15 1 1 A 33 33 ALA N N 33 123.601 124.303 -0.702 1
1 406 . 15 1 1 A 34 34 PRO HA H 34 4.352 4.325 0.027 1
1 413 . 15 1 1 A 34 34 PRO C C 34 177.746 177.154 0.592 1
1 414 . 15 1 1 A 34 34 PRO CA C 34 63.520 63.655 -0.135 1
1 415 . 15 1 1 A 34 34 PRO CB C 34 31.938 32.136 -0.198 1
1 418 . 15 1 1 A 35 35 GLY H H 35 8.433 8.884 -0.451 1
1 419 . 15 1 1 A 35 35 GLY HA2 H 35 3.848 3.919 -0.071 1
1 420 . 15 1 1 A 35 35 GLY HA3 H 35 3.848 3.921 -0.073 1
1 421 . 15 1 1 A 35 35 GLY C C 35 173.266 174.656 -1.390 1
1 422 . 15 1 1 A 35 35 GLY CA C 35 45.405 45.379 0.026 1
1 423 . 15 1 1 A 35 35 GLY N N 35 109.298 111.481 -2.183 1
1 424 . 15 1 1 A 36 36 ALA H H 36 8.095 7.894 0.201 1
1 425 . 15 1 1 A 36 36 ALA HA H 36 4.196 4.351 -0.155 1
1 429 . 15 1 1 A 36 36 ALA C C 36 177.944 176.900 1.044 1
1 430 . 15 1 1 A 36 36 ALA CA C 36 52.551 52.535 0.016 1
1 431 . 15 1 1 A 36 36 ALA CB C 36 19.485 19.595 -0.110 1
1 432 . 15 1 1 A 36 36 ALA N N 36 124.605 122.574 2.031 1
1 433 . 15 1 1 A 37 37 ALA H H 37 8.199 9.330 -1.131 1
1 434 . 15 1 1 A 37 37 ALA HA H 37 4.491 4.492 -0.001 1
1 438 . 15 1 1 A 37 37 ALA C C 37 177.456 177.032 0.424 1
1 439 . 15 1 1 A 37 37 ALA CA C 37 52.453 53.327 -0.874 1
1 440 . 15 1 1 A 37 37 ALA CB C 37 19.060 21.549 -2.489 1
1 441 . 15 1 1 A 37 37 ALA N N 37 123.695 124.604 -0.909 1
1 442 . 15 1 1 A 38 38 LEU H H 38 8.099 8.011 0.088 1
1 443 . 15 1 1 A 38 38 LEU HA H 38 4.243 4.217 0.026 1
1 453 . 15 1 1 A 38 38 LEU C C 38 177.358 177.128 0.230 1
1 454 . 15 1 1 A 38 38 LEU CA C 38 55.218 53.788 1.430 1
1 455 . 15 1 1 A 38 38 LEU CB C 38 42.228 40.217 2.011 1
1 459 . 15 1 1 A 38 38 LEU N N 38 121.531 117.960 3.571 1
1 460 . 15 1 1 A 39 39 ILE H H 39 7.966 8.010 -0.044 1
1 461 . 15 1 1 A 39 39 ILE HA H 39 4.136 4.305 -0.169 1
1 471 . 15 1 1 A 39 39 ILE C C 39 175.586 175.837 -0.251 1
1 472 . 15 1 1 A 39 39 ILE CA C 39 60.873 61.270 -0.397 1
1 473 . 15 1 1 A 39 39 ILE CB C 39 38.727 37.968 0.759 1
1 477 . 15 1 1 A 39 39 ILE N N 39 121.669 122.989 -1.320 1
1 478 . 15 1 1 A 40 40 SER H H 40 8.101 7.493 0.608 1
1 479 . 15 1 1 A 40 40 SER HA H 40 4.347 4.704 -0.357 1
1 482 . 15 1 1 A 40 40 SER C C 40 173.336 173.812 -0.476 1
1 483 . 15 1 1 A 40 40 SER CA C 40 57.331 58.633 -1.302 1
1 484 . 15 1 1 A 40 40 SER CB C 40 63.983 63.924 0.059 1
1 485 . 15 1 1 A 40 40 SER N N 40 119.591 119.408 0.183 1
1 486 . 15 1 1 A 41 41 TYR H H 41 8.100 9.061 -0.961 1
1 487 . 15 1 1 A 41 41 TYR HA H 41 4.436 4.230 0.206 1
1 494 . 15 1 1 A 41 41 TYR CA C 41 56.067 61.258 -5.191 1
1 495 . 15 1 1 A 41 41 TYR CB C 41 38.244 38.560 -0.316 1
1 496 . 15 1 1 A 41 41 TYR N N 41 122.744 123.707 -0.963 1
1 497 . 15 1 1 A 42 42 PRO HA H 42 4.281 4.372 -0.091 1
1 504 . 15 1 1 A 42 42 PRO C C 42 176.765 177.210 -0.445 1
1 505 . 15 1 1 A 42 42 PRO CA C 42 63.650 64.811 -1.161 1
1 506 . 15 1 1 A 42 42 PRO CB C 42 30.513 31.325 -0.812 1
1 509 . 15 1 1 A 43 43 ASP H H 43 8.305 8.540 -0.235 1
1 510 . 15 1 1 A 43 43 ASP HA H 43 4.548 4.520 0.028 1
1 513 . 15 1 1 A 43 43 ASP C C 43 175.135 178.386 -3.251 1
1 514 . 15 1 1 A 43 43 ASP CA C 43 53.570 55.587 -2.017 1
1 515 . 15 1 1 A 43 43 ASP CB C 43 38.450 40.710 -2.260 1
1 516 . 15 1 1 A 43 43 ASP N N 43 118.052 117.789 0.263 1
1 517 . 15 1 1 A 44 44 ALA H H 44 8.013 8.196 -0.183 1
1 518 . 15 1 1 A 44 44 ALA HA H 44 4.106 4.151 -0.045 1
1 522 . 15 1 1 A 44 44 ALA C C 44 177.969 179.906 -1.937 1
1 523 . 15 1 1 A 44 44 ALA CA C 44 52.867 55.288 -2.421 1
1 524 . 15 1 1 A 44 44 ALA CB C 44 19.023 18.032 0.991 1
1 525 . 15 1 1 A 44 44 ALA N N 44 123.344 121.309 2.035 1
1 526 . 15 1 1 A 45 45 ILE H H 45 7.860 8.212 -0.352 1
1 527 . 15 1 1 A 45 45 ILE HA H 45 3.855 4.042 -0.187 1
1 537 . 15 1 1 A 45 45 ILE C C 45 176.287 177.926 -1.639 1
1 538 . 15 1 1 A 45 45 ILE CA C 45 61.465 63.911 -2.446 1
1 539 . 15 1 1 A 45 45 ILE CB C 45 38.294 37.977 0.317 1
1 543 . 15 1 1 A 45 45 ILE N N 45 118.636 118.868 -0.232 1
1 544 . 15 1 1 A 46 46 TRP H H 46 7.646 8.266 -0.620 1
1 545 . 15 1 1 A 46 46 TRP HA H 46 4.504 4.375 0.129 1
1 554 . 15 1 1 A 46 46 TRP C C 46 176.136 178.860 -2.724 1
1 555 . 15 1 1 A 46 46 TRP CA C 46 57.139 59.795 -2.656 1
1 556 . 15 1 1 A 46 46 TRP CB C 46 28.880 29.086 -0.206 1
1 558 . 15 1 1 A 46 46 TRP N N 46 122.947 122.049 0.898 1
1 560 . 15 1 1 A 47 47 TRP H H 47 7.502 8.255 -0.753 1
1 561 . 15 1 1 A 47 47 TRP HA H 47 4.482 4.284 0.198 1
1 570 . 15 1 1 A 47 47 TRP C C 47 176.149 178.540 -2.391 1
1 571 . 15 1 1 A 47 47 TRP CA C 47 57.197 61.224 -4.027 1
1 572 . 15 1 1 A 47 47 TRP CB C 47 29.703 29.749 -0.046 1
1 573 . 15 1 1 A 47 47 TRP N N 47 120.943 121.609 -0.666 1
1 575 . 15 1 1 A 48 48 SER H H 48 7.861 8.474 -0.613 1
1 576 . 15 1 1 A 48 48 SER HA H 48 4.258 3.991 0.267 1
1 579 . 15 1 1 A 48 48 SER C C 48 174.600 177.310 -2.710 1
1 580 . 15 1 1 A 48 48 SER CA C 48 57.844 61.423 -3.579 1
1 581 . 15 1 1 A 48 48 SER CB C 48 64.102 62.807 1.295 1
1 582 . 15 1 1 A 48 48 SER N N 48 116.339 114.409 1.930 1
1 583 . 15 1 1 A 49 49 VAL H H 49 7.921 7.873 0.048 1
1 584 . 15 1 1 A 49 49 VAL HA H 49 3.990 3.408 0.582 1
1 592 . 15 1 1 A 49 49 VAL C C 49 176.402 177.483 -1.081 1
1 593 . 15 1 1 A 49 49 VAL CA C 49 62.909 66.970 -4.061 1
1 594 . 15 1 1 A 49 49 VAL CB C 49 32.467 31.374 1.093 1
1 597 . 15 1 1 A 49 49 VAL N N 49 121.079 122.368 -1.289 1
1 598 . 15 1 1 A 50 50 GLU H H 50 8.229 8.304 -0.075 1
1 599 . 15 1 1 A 50 50 GLU HA H 50 4.307 4.157 0.150 1
1 604 . 15 1 1 A 50 50 GLU C C 50 176.506 177.262 -0.756 1
1 605 . 15 1 1 A 50 50 GLU CA C 50 57.040 57.794 -0.754 1
1 606 . 15 1 1 A 50 50 GLU CB C 50 30.123 28.997 1.126 1
1 608 . 15 1 1 A 50 50 GLU N N 50 122.433 118.993 3.440 1
1 609 . 15 1 1 A 51 51 THR H H 51 7.993 7.496 0.497 1
1 610 . 15 1 1 A 51 51 THR HA H 51 4.248 3.919 0.329 1
1 615 . 15 1 1 A 51 51 THR C C 51 174.430 176.300 -1.870 1
1 616 . 15 1 1 A 51 51 THR CA C 51 62.227 65.150 -2.923 1
1 617 . 15 1 1 A 51 51 THR CB C 51 69.712 68.961 0.751 1
1 619 . 15 1 1 A 51 51 THR N N 51 114.413 114.970 -0.557 1
1 620 . 15 1 1 A 52 52 ALA H H 52 8.160 7.633 0.527 1
1 621 . 15 1 1 A 52 52 ALA HA H 52 4.212 4.132 0.080 1
1 625 . 15 1 1 A 52 52 ALA C C 52 177.976 178.721 -0.745 1
1 626 . 15 1 1 A 52 52 ALA CA C 52 53.069 54.341 -1.272 1
1 627 . 15 1 1 A 52 52 ALA CB C 52 19.178 18.183 0.995 1
1 628 . 15 1 1 A 52 52 ALA N N 52 125.641 123.238 2.403 1
1 629 . 15 1 1 A 53 53 THR H H 53 8.022 7.653 0.369 1
1 630 . 15 1 1 A 53 53 THR HA H 53 4.231 4.531 -0.300 1
1 635 . 15 1 1 A 53 53 THR C C 53 174.750 174.464 0.286 1
1 636 . 15 1 1 A 53 53 THR CA C 53 62.231 61.660 0.571 1
1 637 . 15 1 1 A 53 53 THR CB C 53 69.726 68.753 0.973 1
1 639 . 15 1 1 A 53 53 THR N N 53 112.100 107.694 4.406 1
1 640 . 15 1 1 A 54 54 THR H H 54 7.999 8.042 -0.043 1
1 641 . 15 1 1 A 54 54 THR HA H 54 4.303 3.994 0.309 1
1 646 . 15 1 1 A 54 54 THR C C 54 174.592 174.051 0.541 1
1 647 . 15 1 1 A 54 54 THR CA C 54 62.002 62.977 -0.975 1
1 648 . 15 1 1 A 54 54 THR CB C 54 69.793 66.532 3.261 1
1 650 . 15 1 1 A 54 54 THR N N 54 116.238 114.974 1.264 1
1 651 . 15 1 1 A 55 55 VAL H H 55 8.098 7.421 0.677 1
1 652 . 15 1 1 A 55 55 VAL HA H 55 4.017 4.298 -0.281 1
1 660 . 15 1 1 A 55 55 VAL C C 55 176.453 176.191 0.262 1
1 661 . 15 1 1 A 55 55 VAL CA C 55 62.650 63.629 -0.979 1
1 662 . 15 1 1 A 55 55 VAL CB C 55 32.524 33.465 -0.941 1
1 665 . 15 1 1 A 55 55 VAL N N 55 122.445 121.258 1.187 1
1 666 . 15 1 1 A 56 56 GLY H H 56 8.308 7.591 0.717 1
1 667 . 15 1 1 A 56 56 GLY HA2 H 56 3.839 3.895 -0.056 1
1 668 . 15 1 1 A 56 56 GLY HA3 H 56 4.019 3.908 0.111 1
1 669 . 15 1 1 A 56 56 GLY C C 56 173.958 174.803 -0.845 1
1 670 . 15 1 1 A 56 56 GLY CA C 56 45.216 46.334 -1.118 1
1 671 . 15 1 1 A 56 56 GLY N N 56 112.118 109.021 3.097 1
1 672 . 15 1 1 A 57 57 TYR H H 57 8.051 8.606 -0.555 1
1 673 . 15 1 1 A 57 57 TYR HA H 57 4.402 4.397 0.005 1
1 680 . 15 1 1 A 57 57 TYR C C 57 176.557 176.934 -0.377 1
1 681 . 15 1 1 A 57 57 TYR CA C 57 58.251 60.593 -2.342 1
1 682 . 15 1 1 A 57 57 TYR CB C 57 38.935 38.887 0.048 1
1 683 . 15 1 1 A 57 57 TYR N N 57 120.259 120.757 -0.498 1
1 684 . 15 1 1 A 58 58 GLY H H 58 8.335 7.505 0.830 1
1 685 . 15 1 1 A 58 58 GLY HA2 H 58 3.801 3.775 0.026 1
1 686 . 15 1 1 A 58 58 GLY HA3 H 58 3.801 4.114 -0.313 1
1 687 . 15 1 1 A 58 58 GLY C C 58 173.911 174.547 -0.636 1
1 688 . 15 1 1 A 58 58 GLY CA C 58 45.311 45.184 0.127 1
1 689 . 15 1 1 A 58 58 GLY N N 58 110.220 104.624 5.596 1
1 690 . 15 1 1 A 59 59 ASP H H 59 8.161 8.218 -0.057 1
1 691 . 15 1 1 A 59 59 ASP HA H 59 4.581 4.527 0.054 1
1 694 . 15 1 1 A 59 59 ASP C C 59 175.189 175.157 0.032 1
1 695 . 15 1 1 A 59 59 ASP CA C 59 53.570 56.449 -2.879 1
1 696 . 15 1 1 A 59 59 ASP CB C 59 38.750 41.928 -3.178 1
1 697 . 15 1 1 A 59 59 ASP N N 59 118.765 120.541 -1.776 1
1 698 . 15 1 1 A 60 60 ARG H H 60 8.086 7.608 0.478 1
1 699 . 15 1 1 A 60 60 ARG HA H 60 4.152 4.881 -0.729 1
1 711 . 15 1 1 A 60 60 ARG C C 60 176.603 174.679 1.924 1
1 712 . 15 1 1 A 60 60 ARG CA C 60 56.825 54.150 2.675 1
1 713 . 15 1 1 A 60 60 ARG CB C 60 30.935 33.921 -2.986 1
1 716 . 15 1 1 A 60 60 ARG N N 60 120.762 116.690 4.072 1
1 718 . 15 1 1 A 61 61 TYR H H 61 8.117 8.684 -0.567 1
1 719 . 15 1 1 A 61 61 TYR HA H 61 4.488 5.117 -0.629 1
1 726 . 15 1 1 A 61 61 TYR CA C 61 56.688 55.629 1.059 1
1 727 . 15 1 1 A 61 61 TYR CB C 61 39.582 41.900 -2.318 1
1 728 . 15 1 1 A 61 61 TYR N N 61 121.714 117.734 3.980 1
1 729 . 15 1 1 A 62 62 PRO HA H 62 4.383 4.568 -0.185 1
1 736 . 15 1 1 A 62 62 PRO C C 62 177.441 176.703 0.738 1
1 737 . 15 1 1 A 62 62 PRO CA C 62 63.212 62.176 1.036 1
1 738 . 15 1 1 A 62 62 PRO CB C 62 31.939 32.509 -0.570 1
1 741 . 15 1 1 A 63 63 VAL H H 63 8.217 8.599 -0.382 1
1 742 . 15 1 1 A 63 63 VAL HA H 63 4.164 4.444 -0.280 1
1 750 . 15 1 1 A 63 63 VAL C C 63 176.576 176.749 -0.173 1
1 751 . 15 1 1 A 63 63 VAL CA C 63 62.382 61.259 1.123 1
1 752 . 15 1 1 A 63 63 VAL CB C 63 32.862 33.383 -0.521 1
1 755 . 15 1 1 A 63 63 VAL N N 63 120.316 118.822 1.494 1
1 756 . 15 1 1 A 64 64 THR H H 64 8.084 8.758 -0.674 1
1 757 . 15 1 1 A 64 64 THR HA H 64 4.313 3.871 0.442 1
1 762 . 15 1 1 A 64 64 THR C C 64 174.558 175.940 -1.382 1
1 763 . 15 1 1 A 64 64 THR CA C 64 62.606 66.602 -3.996 1
1 764 . 15 1 1 A 64 64 THR CB C 64 70.496 68.961 1.535 1
1 766 . 15 1 1 A 64 64 THR N N 64 116.779 117.686 -0.907 1
1 767 . 15 1 1 A 65 65 GLU H H 65 8.404 8.176 0.228 1
1 768 . 15 1 1 A 65 65 GLU HA H 65 4.314 3.955 0.359 1
1 773 . 15 1 1 A 65 65 GLU C C 65 175.016 178.812 -3.796 1
1 774 . 15 1 1 A 65 65 GLU CA C 65 57.750 59.771 -2.021 1
1 775 . 15 1 1 A 65 65 GLU CB C 65 30.083 29.588 0.495 1
1 777 . 15 1 1 A 65 65 GLU N N 65 122.323 120.708 1.615 1
1 778 . 15 1 1 A 66 66 GLU H H 66 8.397 8.092 0.305 1
1 779 . 15 1 1 A 66 66 GLU HA H 66 4.224 4.246 -0.022 1
1 784 . 15 1 1 A 66 66 GLU C C 66 176.855 179.477 -2.622 1
1 785 . 15 1 1 A 66 66 GLU CA C 66 58.023 58.917 -0.894 1
1 786 . 15 1 1 A 66 66 GLU CB C 66 29.857 30.031 -0.174 1
1 788 . 15 1 1 A 66 66 GLU N N 66 122.201 117.497 4.704 1
1 789 . 15 1 1 A 67 67 GLY H H 67 8.376 8.424 -0.048 1
1 790 . 15 1 1 A 67 67 GLY HA2 H 67 3.834 3.741 0.093 1
1 791 . 15 1 1 A 67 67 GLY HA3 H 67 3.834 3.748 0.086 1
1 792 . 15 1 1 A 67 67 GLY C C 67 173.071 175.725 -2.654 1
1 793 . 15 1 1 A 67 67 GLY CA C 67 45.871 47.275 -1.404 1
1 794 . 15 1 1 A 67 67 GLY N N 67 109.499 108.141 1.358 1
1 795 . 15 1 1 A 68 68 ARG H H 68 8.011 7.897 0.114 1
1 796 . 15 1 1 A 68 68 ARG HA H 68 4.482 4.133 0.349 1
1 808 . 15 1 1 A 68 68 ARG C C 68 177.494 179.254 -1.760 1
1 809 . 15 1 1 A 68 68 ARG CA C 68 57.574 58.910 -1.336 1
1 810 . 15 1 1 A 68 68 ARG CB C 68 30.325 29.765 0.560 1
1 813 . 15 1 1 A 68 68 ARG N N 68 122.501 121.946 0.555 1
1 815 . 15 1 1 A 69 69 LYS H H 69 7.986 7.743 0.243 1
1 816 . 15 1 1 A 69 69 LYS HA H 69 4.150 4.101 0.049 1
1 825 . 15 1 1 A 69 69 LYS C C 69 178.168 178.993 -0.825 1
1 826 . 15 1 1 A 69 69 LYS CA C 69 57.781 58.572 -0.791 1
1 827 . 15 1 1 A 69 69 LYS CB C 69 32.705 31.801 0.904 1
1 831 . 15 1 1 A 69 69 LYS N N 69 120.934 118.750 2.184 1
1 832 . 15 1 1 A 70 70 VAL H H 70 7.848 7.937 -0.089 1
1 833 . 15 1 1 A 70 70 VAL HA H 70 4.088 3.590 0.498 1
1 841 . 15 1 1 A 70 70 VAL C C 70 175.998 178.009 -2.011 1
1 842 . 15 1 1 A 70 70 VAL CA C 70 64.206 66.452 -2.246 1
1 843 . 15 1 1 A 70 70 VAL CB C 70 31.873 31.699 0.174 1
1 846 . 15 1 1 A 70 70 VAL N N 70 120.324 120.154 0.170 1
1 847 . 15 1 1 A 71 71 ALA H H 71 8.300 8.660 -0.360 1
1 848 . 15 1 1 A 71 71 ALA HA H 71 4.221 4.056 0.165 1
1 852 . 15 1 1 A 71 71 ALA C C 71 178.225 180.490 -2.265 1
1 853 . 15 1 1 A 71 71 ALA CA C 71 53.106 56.082 -2.976 1
1 854 . 15 1 1 A 71 71 ALA CB C 71 19.128 18.678 0.450 1
1 855 . 15 1 1 A 71 71 ALA N N 71 127.025 122.056 4.969 1
1 856 . 15 1 1 A 72 72 GLU H H 72 8.181 8.788 -0.607 1
1 857 . 15 1 1 A 72 72 GLU HA H 72 4.219 4.065 0.154 1
1 862 . 15 1 1 A 72 72 GLU C C 72 176.779 178.888 -2.109 1
1 863 . 15 1 1 A 72 72 GLU CA C 72 56.776 59.752 -2.976 1
1 864 . 15 1 1 A 72 72 GLU CB C 72 28.610 29.358 -0.748 1
1 866 . 15 1 1 A 72 72 GLU N N 72 123.008 118.110 4.898 1
1 867 . 15 1 1 A 73 73 GLN H H 73 8.132 7.535 0.597 1
1 868 . 15 1 1 A 73 73 GLN HA H 73 4.141 4.137 0.004 1
1 875 . 15 1 1 A 73 73 GLN C C 73 175.803 178.652 -2.849 1
1 876 . 15 1 1 A 73 73 GLN CA C 73 56.456 58.719 -2.263 1
1 877 . 15 1 1 A 73 73 GLN CB C 73 28.290 28.435 -0.145 1
1 879 . 15 1 1 A 73 73 GLN N N 73 120.564 120.084 0.480 1
1 881 . 15 1 1 A 74 74 VAL H H 74 8.088 7.693 0.395 1
1 882 . 15 1 1 A 74 74 VAL HA H 74 3.986 3.588 0.398 1
1 890 . 15 1 1 A 74 74 VAL C C 74 176.167 177.698 -1.531 1
1 891 . 15 1 1 A 74 74 VAL CA C 74 63.123 66.319 -3.196 1
1 892 . 15 1 1 A 74 74 VAL CB C 74 30.082 31.604 -1.522 1
1 895 . 15 1 1 A 74 74 VAL N N 74 121.828 120.124 1.704 1
1 896 . 15 1 1 A 75 75 MET H H 75 8.167 8.172 -0.005 1
1 897 . 15 1 1 A 75 75 MET HA H 75 4.093 3.992 0.101 1
1 903 . 15 1 1 A 75 75 MET C C 75 176.455 178.430 -1.975 1
1 904 . 15 1 1 A 75 75 MET N N 75 123.990 117.280 6.710 1
1 905 . 15 1 1 A 76 76 LYS H H 76 8.287 8.104 0.183 1
1 906 . 15 1 1 A 76 76 LYS HA H 76 4.234 4.034 0.200 1
1 915 . 15 1 1 A 76 76 LYS C C 76 176.220 178.404 -2.184 1
1 916 . 15 1 1 A 76 76 LYS CA C 76 56.765 58.746 -1.981 1
1 917 . 15 1 1 A 76 76 LYS CB C 76 33.055 32.231 0.824 1
1 921 . 15 1 1 A 76 76 LYS N N 76 122.725 120.015 2.710 1
1 922 . 15 1 1 A 77 77 ALA H H 77 8.308 8.088 0.220 1
1 923 . 15 1 1 A 77 77 ALA HA H 77 4.213 3.990 0.223 1
1 927 . 15 1 1 A 77 77 ALA C C 77 178.097 179.849 -1.752 1
1 928 . 15 1 1 A 77 77 ALA CA C 77 52.740 54.941 -2.201 1
1 929 . 15 1 1 A 77 77 ALA CB C 77 19.427 18.408 1.019 1
1 930 . 15 1 1 A 77 77 ALA N N 77 125.316 121.806 3.510 1
1 931 . 15 1 1 A 78 78 GLY H H 78 8.284 8.203 0.081 1
1 932 . 15 1 1 A 78 78 GLY HA2 H 78 3.873 3.331 0.542 1
1 933 . 15 1 1 A 78 78 GLY HA3 H 78 3.873 3.538 0.335 1
1 934 . 15 1 1 A 78 78 GLY C C 78 174.065 175.183 -1.118 1
1 935 . 15 1 1 A 78 78 GLY CA C 78 45.497 47.231 -1.734 1
1 936 . 15 1 1 A 78 78 GLY N N 78 107.778 105.633 2.145 1
1 937 . 15 1 1 A 79 79 ILE H H 79 7.882 8.215 -0.333 1
1 938 . 15 1 1 A 79 79 ILE HA H 79 4.119 4.014 0.105 1
1 948 . 15 1 1 A 79 79 ILE C C 79 176.160 178.783 -2.623 1
1 949 . 15 1 1 A 79 79 ILE CA C 79 61.436 63.812 -2.376 1
1 950 . 15 1 1 A 79 79 ILE CB C 79 38.904 37.057 1.847 1
1 954 . 15 1 1 A 79 79 ILE N N 79 119.794 122.260 -2.466 1
1 955 . 15 1 1 A 80 80 GLU H H 80 8.354 8.239 0.115 1
1 956 . 15 1 1 A 80 80 GLU HA H 80 4.282 3.990 0.292 1
1 961 . 15 1 1 A 80 80 GLU C C 80 176.174 179.704 -3.530 1
1 962 . 15 1 1 A 80 80 GLU CA C 80 57.178 59.374 -2.196 1
1 963 . 15 1 1 A 80 80 GLU CB C 80 30.019 29.462 0.557 1
1 965 . 15 1 1 A 80 80 GLU N N 80 124.311 119.502 4.809 1
1 966 . 15 1 1 A 81 81 VAL H H 81 8.205 7.482 0.723 1
1 967 . 15 1 1 A 81 81 VAL HA H 81 3.985 3.502 0.483 1
1 975 . 15 1 1 A 81 81 VAL C C 81 175.815 177.957 -2.142 1
1 976 . 15 1 1 A 81 81 VAL CA C 81 62.865 66.365 -3.500 1
1 977 . 15 1 1 A 81 81 VAL CB C 81 32.629 31.502 1.127 1
1 980 . 15 1 1 A 81 81 VAL N N 81 121.106 120.606 0.500 1
1 981 . 15 1 1 A 82 82 PHE H H 82 8.252 7.968 0.284 1
1 982 . 15 1 1 A 82 82 PHE HA H 82 4.551 4.274 0.277 1
1 990 . 15 1 1 A 82 82 PHE C C 82 175.631 178.707 -3.076 1
1 991 . 15 1 1 A 82 82 PHE CA C 82 58.206 60.724 -2.518 1
1 992 . 15 1 1 A 82 82 PHE CB C 82 39.431 38.038 1.393 1
1 993 . 15 1 1 A 82 82 PHE N N 82 123.622 118.490 5.132 1
1 994 . 15 1 1 A 83 83 ALA H H 83 8.184 8.888 -0.704 1
1 995 . 15 1 1 A 83 83 ALA HA H 83 4.230 4.193 0.037 1
1 999 . 15 1 1 A 83 83 ALA C C 83 178.025 180.244 -2.219 1
1 1000 . 15 1 1 A 83 83 ALA CA C 83 52.731 55.030 -2.299 1
1 1001 . 15 1 1 A 83 83 ALA CB C 83 19.359 18.288 1.071 1
1 1002 . 15 1 1 A 83 83 ALA N N 83 125.081 122.995 2.086 1
1 1003 . 15 1 1 A 84 84 LEU H H 84 8.104 7.834 0.270 1
1 1004 . 15 1 1 A 84 84 LEU HA H 84 4.167 4.082 0.085 1
1 1014 . 15 1 1 A 84 84 LEU C C 84 176.390 178.958 -2.568 1
1 1015 . 15 1 1 A 84 84 LEU CA C 84 55.786 57.684 -1.898 1
1 1016 . 15 1 1 A 84 84 LEU CB C 84 42.179 41.488 0.691 1
1 1020 . 15 1 1 A 84 84 LEU N N 84 119.064 120.836 -1.772 1
1 1021 . 15 1 1 A 85 85 VAL H H 85 8.155 7.869 0.286 1
1 1022 . 15 1 1 A 85 85 VAL HA H 85 4.073 3.812 0.261 1
1 1030 . 15 1 1 A 85 85 VAL C C 85 176.521 178.129 -1.608 1
1 1031 . 15 1 1 A 85 85 VAL CA C 85 62.762 65.901 -3.139 1
1 1032 . 15 1 1 A 85 85 VAL CB C 85 32.498 31.557 0.941 1
1 1035 . 15 1 1 A 85 85 VAL N N 85 121.743 119.138 2.605 1
1 1036 . 15 1 1 A 86 86 THR H H 86 8.052 7.769 0.283 1
1 1037 . 15 1 1 A 86 86 THR HA H 86 4.141 3.974 0.167 1
1 1042 . 15 1 1 A 86 86 THR C C 86 174.706 176.092 -1.386 1
1 1043 . 15 1 1 A 86 86 THR CA C 86 62.351 66.053 -3.702 1
1 1044 . 15 1 1 A 86 86 THR CB C 86 69.618 68.489 1.129 1
1 1046 . 15 1 1 A 86 86 THR N N 86 117.693 115.807 1.886 1
1 1047 . 15 1 1 A 87 87 ALA H H 87 8.216 8.465 -0.249 1
1 1048 . 15 1 1 A 87 87 ALA HA H 87 4.170 3.912 0.258 1
1 1052 . 15 1 1 A 87 87 ALA C C 87 178.003 179.224 -1.221 1
1 1053 . 15 1 1 A 87 87 ALA CA C 87 52.967 55.186 -2.219 1
1 1054 . 15 1 1 A 87 87 ALA CB C 87 18.326 17.990 0.336 1
1 1055 . 15 1 1 A 87 87 ALA N N 87 126.174 123.305 2.869 1
1 1056 . 15 1 1 A 88 88 ALA H H 88 8.129 8.010 0.119 1
1 1057 . 15 1 1 A 88 88 ALA HA H 88 4.147 3.909 0.238 1
1 1061 . 15 1 1 A 88 88 ALA C C 88 178.246 179.764 -1.518 1
1 1062 . 15 1 1 A 88 88 ALA CA C 88 52.961 54.687 -1.726 1
1 1063 . 15 1 1 A 88 88 ALA CB C 88 19.290 18.668 0.622 1
1 1064 . 15 1 1 A 88 88 ALA N N 88 122.649 120.161 2.488 1
1 1065 . 15 1 1 A 89 89 LEU H H 89 7.992 7.888 0.104 1
1 1066 . 15 1 1 A 89 89 LEU HA H 89 4.153 3.951 0.202 1
1 1076 . 15 1 1 A 89 89 LEU C C 89 176.375 178.151 -1.776 1
1 1077 . 15 1 1 A 89 89 LEU CA C 89 57.099 57.971 -0.872 1
1 1078 . 15 1 1 A 89 89 LEU CB C 89 42.055 41.403 0.652 1
1 1082 . 15 1 1 A 89 89 LEU N N 89 120.616 119.027 1.589 1
1 1083 . 15 1 1 A 90 90 ALA H H 90 8.168 8.100 0.068 1
1 1084 . 15 1 1 A 90 90 ALA HA H 90 4.218 4.343 -0.125 1
1 1088 . 15 1 1 A 90 90 ALA C C 90 178.487 178.777 -0.290 1
1 1089 . 15 1 1 A 90 90 ALA CA C 90 53.043 54.096 -1.053 1
1 1090 . 15 1 1 A 90 90 ALA CB C 90 19.269 18.456 0.813 1
1 1091 . 15 1 1 A 90 90 ALA N N 90 124.243 121.411 2.832 1
1 1092 . 15 1 1 A 91 91 THR H H 91 7.988 7.556 0.432 1
1 1093 . 15 1 1 A 91 91 THR HA H 91 4.181 3.892 0.289 1
1 1098 . 15 1 1 A 91 91 THR C C 91 174.931 176.620 -1.689 1
1 1099 . 15 1 1 A 91 91 THR CA C 91 62.190 65.768 -3.578 1
1 1100 . 15 1 1 A 91 91 THR CB C 91 69.198 68.428 0.770 1
1 1102 . 15 1 1 A 91 91 THR N N 91 112.659 112.341 0.318 1
1 1103 . 15 1 1 A 92 92 ASP H H 92 8.254 8.072 0.182 1
1 1104 . 15 1 1 A 92 92 ASP HA H 92 4.541 4.549 -0.008 1
1 1107 . 15 1 1 A 92 92 ASP C C 92 175.823 178.224 -2.401 1
1 1108 . 15 1 1 A 92 92 ASP CA C 92 53.570 56.637 -3.067 1
1 1109 . 15 1 1 A 92 92 ASP CB C 92 38.750 40.644 -1.894 1
1 1110 . 15 1 1 A 92 92 ASP N N 92 120.688 121.231 -0.543 1
1 1111 . 15 1 1 A 93 93 PHE H H 93 8.048 8.236 -0.188 1
1 1112 . 15 1 1 A 93 93 PHE HA H 93 4.547 4.430 0.117 1
1 1120 . 15 1 1 A 93 93 PHE C C 93 176.384 177.523 -1.139 1
1 1121 . 15 1 1 A 93 93 PHE CA C 93 58.633 59.320 -0.687 1
1 1122 . 15 1 1 A 93 93 PHE CB C 93 39.451 37.766 1.685 1
1 1123 . 15 1 1 A 93 93 PHE N N 93 120.763 117.125 3.638 1
1 1124 . 15 1 1 A 94 94 VAL H H 94 7.904 7.537 0.367 1
1 1125 . 15 1 1 A 94 94 VAL HA H 94 4.364 3.055 1.309 1
1 1133 . 15 1 1 A 94 94 VAL C C 94 176.851 178.117 -1.266 1
1 1134 . 15 1 1 A 94 94 VAL CA C 94 63.297 65.814 -2.517 1
1 1135 . 15 1 1 A 94 94 VAL CB C 94 29.241 30.915 -1.674 1
1 1138 . 15 1 1 A 94 94 VAL N N 94 121.478 120.306 1.172 1
1 1139 . 15 1 1 A 95 95 ARG H H 95 8.146 7.600 0.546 1
1 1140 . 15 1 1 A 95 95 ARG HA H 95 4.134 4.219 -0.085 1
1 1152 . 15 1 1 A 95 95 ARG C C 95 177.395 178.770 -1.375 1
1 1153 . 15 1 1 A 95 95 ARG CA C 95 55.978 58.227 -2.249 1
1 1154 . 15 1 1 A 95 95 ARG CB C 95 31.070 29.802 1.268 1
1 1157 . 15 1 1 A 95 95 ARG N N 95 122.920 119.453 3.467 1
1 1159 . 15 1 1 A 96 96 ARG H H 96 8.313 8.514 -0.201 1
1 1160 . 15 1 1 A 96 96 ARG HA H 96 4.180 4.131 0.049 1
1 1172 . 15 1 1 A 96 96 ARG C C 96 176.839 176.101 0.738 1
1 1173 . 15 1 1 A 96 96 ARG CA C 96 56.831 58.846 -2.015 1
1 1174 . 15 1 1 A 96 96 ARG CB C 96 30.952 30.083 0.869 1
1 1177 . 15 1 1 A 96 96 ARG N N 96 121.064 116.606 4.458 1
1 1179 . 15 1 1 A 97 97 GLU H H 97 8.356 7.556 0.800 1
1 1180 . 15 1 1 A 97 97 GLU HA H 97 4.220 4.429 -0.209 1
1 1185 . 15 1 1 A 97 97 GLU C C 97 176.319 177.140 -0.821 1
1 1186 . 15 1 1 A 97 97 GLU CA C 97 57.408 54.930 2.478 1
1 1187 . 15 1 1 A 97 97 GLU CB C 97 28.610 31.508 -2.898 1
1 1189 . 15 1 1 A 97 97 GLU N N 97 121.754 120.387 1.367 1
1 1190 . 15 1 1 A 98 98 GLU H H 98 8.328 8.840 -0.512 1
1 1191 . 15 1 1 A 98 98 GLU HA H 98 4.240 3.848 0.392 1
1 1196 . 15 1 1 A 98 98 GLU C C 98 176.132 177.296 -1.164 1
1 1197 . 15 1 1 A 98 98 GLU CA C 98 57.666 59.337 -1.671 1
1 1198 . 15 1 1 A 98 98 GLU CB C 98 30.045 27.919 2.126 1
1 1200 . 15 1 1 A 98 98 GLU N N 98 121.414 120.817 0.597 1
1 1201 . 15 1 1 A 99 99 GLU H H 99 8.418 8.551 -0.133 1
1 1202 . 15 1 1 A 99 99 GLU HA H 99 4.299 4.196 0.103 1
1 1207 . 15 1 1 A 99 99 GLU C C 99 177.021 178.948 -1.927 1
1 1208 . 15 1 1 A 99 99 GLU CA C 99 57.397 58.503 -1.106 1
1 1209 . 15 1 1 A 99 99 GLU CB C 99 30.309 29.093 1.216 1
1 1211 . 15 1 1 A 99 99 GLU N N 99 121.312 118.812 2.500 1
1 1212 . 15 1 1 A 100 100 ARG H H 100 8.013 7.705 0.308 1
1 1213 . 15 1 1 A 100 100 ARG HA H 100 4.180 4.071 0.109 1
1 1225 . 15 1 1 A 100 100 ARG C C 100 176.313 178.450 -2.137 1
1 1226 . 15 1 1 A 100 100 ARG CA C 100 57.238 59.146 -1.908 1
1 1227 . 15 1 1 A 100 100 ARG CB C 100 30.298 29.893 0.405 1
1 1230 . 15 1 1 A 100 100 ARG N N 100 121.871 121.315 0.556 1
1 1232 . 15 1 1 A 101 101 ARG H H 101 8.260 7.598 0.662 1
1 1233 . 15 1 1 A 101 101 ARG HA H 101 4.260 4.364 -0.104 1
1 1245 . 15 1 1 A 101 101 ARG C C 101 176.753 176.717 0.036 1
1 1246 . 15 1 1 A 101 101 ARG CA C 101 56.492 55.919 0.573 1
1 1247 . 15 1 1 A 101 101 ARG CB C 101 30.838 31.224 -0.386 1
1 1250 . 15 1 1 A 101 101 ARG N N 101 122.019 115.637 6.382 1
1 1252 . 15 1 1 A 102 102 GLY H H 102 8.380 9.384 -1.004 1
1 1253 . 15 1 1 A 102 102 GLY HA2 H 102 3.849 3.895 -0.046 1
1 1254 . 15 1 1 A 102 102 GLY HA3 H 102 3.849 3.907 -0.058 1
1 1255 . 15 1 1 A 102 102 GLY C C 102 173.145 173.427 -0.282 1
1 1256 . 15 1 1 A 102 102 GLY CA C 102 45.401 45.463 -0.062 1
1 1257 . 15 1 1 A 102 102 GLY N N 102 110.110 108.696 1.414 1
1 9 . 16 1 1 A 2 2 ALA H H 2 8.742 8.018 0.724 1
1 10 . 16 1 1 A 2 2 ALA HA H 2 4.302 4.299 0.003 1
1 14 . 16 1 1 A 2 2 ALA C C 2 177.216 177.978 -0.762 1
1 15 . 16 1 1 A 2 2 ALA CA C 2 52.876 52.064 0.812 1
1 16 . 16 1 1 A 2 2 ALA CB C 2 19.182 20.081 -0.899 1
1 17 . 16 1 1 A 2 2 ALA N N 2 124.657 122.534 2.123 1
1 18 . 16 1 1 A 3 3 ASP H H 3 8.432 9.197 -0.765 1
1 19 . 16 1 1 A 3 3 ASP HA H 3 4.530 4.348 0.182 1
1 22 . 16 1 1 A 3 3 ASP C C 3 176.023 178.533 -2.510 1
1 23 . 16 1 1 A 3 3 ASP CA C 3 53.721 56.986 -3.265 1
1 24 . 16 1 1 A 3 3 ASP CB C 3 38.752 39.611 -0.859 1
1 25 . 16 1 1 A 3 3 ASP N N 3 118.729 119.878 -1.149 1
1 26 . 16 1 1 A 4 4 HIS H H 4 8.549 7.626 0.923 1
1 27 . 16 1 1 A 4 4 HIS HA H 4 4.568 4.269 0.299 1
1 32 . 16 1 1 A 4 4 HIS C C 4 175.101 177.869 -2.768 1
1 33 . 16 1 1 A 4 4 HIS CA C 4 56.640 59.193 -2.553 1
1 34 . 16 1 1 A 4 4 HIS CB C 4 28.961 29.997 -1.036 1
1 37 . 16 1 1 A 4 4 HIS N N 4 119.650 117.538 2.112 1
1 38 . 16 1 1 A 5 5 GLU H H 5 8.330 8.035 0.295 1
1 39 . 16 1 1 A 5 5 GLU HA H 5 4.207 4.083 0.124 1
1 44 . 16 1 1 A 5 5 GLU C C 5 175.749 179.285 -3.536 1
1 45 . 16 1 1 A 5 5 GLU CA C 5 56.594 59.881 -3.287 1
1 46 . 16 1 1 A 5 5 GLU CB C 5 29.285 29.532 -0.247 1
1 48 . 16 1 1 A 5 5 GLU N N 5 120.937 120.309 0.628 1
1 49 . 16 1 1 A 6 6 ARG H H 6 8.325 8.210 0.115 1
1 50 . 16 1 1 A 6 6 ARG HA H 6 4.571 4.044 0.527 1
1 62 . 16 1 1 A 6 6 ARG C C 6 177.578 178.499 -0.921 1
1 63 . 16 1 1 A 6 6 ARG CA C 6 56.716 59.481 -2.765 1
1 64 . 16 1 1 A 6 6 ARG CB C 6 30.744 29.795 0.949 1
1 67 . 16 1 1 A 6 6 ARG N N 6 120.267 120.151 0.116 1
1 69 . 16 1 1 A 7 7 GLU H H 7 8.136 8.567 -0.431 1
1 70 . 16 1 1 A 7 7 GLU HA H 7 4.165 4.114 0.051 1
1 75 . 16 1 1 A 7 7 GLU C C 7 177.156 178.802 -1.646 1
1 76 . 16 1 1 A 7 7 GLU CA C 7 57.125 59.203 -2.078 1
1 77 . 16 1 1 A 7 7 GLU CB C 7 30.149 29.387 0.762 1
1 79 . 16 1 1 A 7 7 GLU N N 7 121.008 119.240 1.768 1
1 80 . 16 1 1 A 8 8 ALA H H 8 8.325 8.089 0.236 1
1 81 . 16 1 1 A 8 8 ALA HA H 8 4.212 4.030 0.182 1
1 85 . 16 1 1 A 8 8 ALA C C 8 178.913 179.500 -0.587 1
1 86 . 16 1 1 A 8 8 ALA CA C 8 52.832 55.244 -2.412 1
1 87 . 16 1 1 A 8 8 ALA CB C 8 18.909 18.103 0.806 1
1 88 . 16 1 1 A 8 8 ALA N N 8 124.538 121.904 2.634 1
1 89 . 16 1 1 A 9 9 GLN H H 9 8.159 8.201 -0.042 1
1 90 . 16 1 1 A 9 9 GLN HA H 9 4.140 3.984 0.156 1
1 97 . 16 1 1 A 9 9 GLN C C 9 175.771 177.924 -2.153 1
1 98 . 16 1 1 A 9 9 GLN CA C 9 57.655 59.044 -1.389 1
1 99 . 16 1 1 A 9 9 GLN CB C 9 28.606 28.599 0.007 1
1 101 . 16 1 1 A 9 9 GLN N N 9 124.103 117.829 6.274 1
1 103 . 16 1 1 A 10 10 LYS H H 10 8.148 8.216 -0.068 1
1 104 . 16 1 1 A 10 10 LYS HA H 10 4.204 4.041 0.163 1
1 113 . 16 1 1 A 10 10 LYS C C 10 177.798 178.624 -0.826 1
1 114 . 16 1 1 A 10 10 LYS CA C 10 57.139 58.868 -1.729 1
1 115 . 16 1 1 A 10 10 LYS CB C 10 33.040 32.210 0.830 1
1 119 . 16 1 1 A 10 10 LYS N N 10 120.635 118.538 2.097 1
1 120 . 16 1 1 A 11 11 ALA H H 11 8.148 7.748 0.400 1
1 121 . 16 1 1 A 11 11 ALA HA H 11 4.140 4.052 0.088 1
1 125 . 16 1 1 A 11 11 ALA C C 11 178.173 179.876 -1.703 1
1 126 . 16 1 1 A 11 11 ALA CA C 11 53.351 54.902 -1.551 1
1 127 . 16 1 1 A 11 11 ALA CB C 11 19.128 18.295 0.833 1
1 128 . 16 1 1 A 11 11 ALA N N 11 123.171 120.635 2.536 1
1 129 . 16 1 1 A 12 12 GLU H H 12 8.248 7.753 0.495 1
1 130 . 16 1 1 A 12 12 GLU HA H 12 4.222 3.949 0.273 1
1 135 . 16 1 1 A 12 12 GLU C C 12 176.385 179.190 -2.805 1
1 136 . 16 1 1 A 12 12 GLU CA C 12 57.442 59.384 -1.942 1
1 137 . 16 1 1 A 12 12 GLU CB C 12 30.001 29.072 0.929 1
1 139 . 16 1 1 A 12 12 GLU N N 12 119.451 118.295 1.156 1
1 140 . 16 1 1 A 13 13 GLU H H 13 8.372 7.934 0.438 1
1 141 . 16 1 1 A 13 13 GLU HA H 13 4.265 4.067 0.198 1
1 146 . 16 1 1 A 13 13 GLU C C 13 178.060 179.341 -1.281 1
1 147 . 16 1 1 A 13 13 GLU CA C 13 56.828 59.207 -2.379 1
1 148 . 16 1 1 A 13 13 GLU CB C 13 30.082 29.440 0.642 1
1 150 . 16 1 1 A 13 13 GLU N N 13 121.080 120.707 0.373 1
1 151 . 16 1 1 A 14 14 GLU H H 14 8.152 7.702 0.450 1
1 152 . 16 1 1 A 14 14 GLU HA H 14 4.142 4.131 0.011 1
1 157 . 16 1 1 A 14 14 GLU C C 14 176.274 178.704 -2.430 1
1 158 . 16 1 1 A 14 14 GLU CA C 14 56.892 59.032 -2.140 1
1 159 . 16 1 1 A 14 14 GLU CB C 14 28.169 29.494 -1.325 1
1 161 . 16 1 1 A 14 14 GLU N N 14 120.236 120.265 -0.029 1
1 162 . 16 1 1 A 15 15 LEU H H 15 8.301 7.902 0.399 1
1 163 . 16 1 1 A 15 15 LEU HA H 15 4.224 4.021 0.203 1
1 173 . 16 1 1 A 15 15 LEU C C 15 177.983 178.630 -0.647 1
1 174 . 16 1 1 A 15 15 LEU CA C 15 56.344 57.626 -1.282 1
1 175 . 16 1 1 A 15 15 LEU CB C 15 42.250 41.739 0.511 1
1 179 . 16 1 1 A 15 15 LEU N N 15 123.072 121.374 1.698 1
1 180 . 16 1 1 A 16 16 GLN H H 16 8.132 7.817 0.315 1
1 181 . 16 1 1 A 16 16 GLN HA H 16 4.145 3.952 0.193 1
1 188 . 16 1 1 A 16 16 GLN C C 16 177.674 178.643 -0.969 1
1 189 . 16 1 1 A 16 16 GLN CA C 16 57.971 59.106 -1.135 1
1 190 . 16 1 1 A 16 16 GLN CB C 16 29.889 28.200 1.689 1
1 192 . 16 1 1 A 16 16 GLN N N 16 119.160 118.693 0.467 1
1 194 . 16 1 1 A 17 17 LYS H H 17 8.214 7.693 0.521 1
1 195 . 16 1 1 A 17 17 LYS HA H 17 4.140 4.121 0.019 1
1 204 . 16 1 1 A 17 17 LYS C C 17 177.646 179.102 -1.456 1
1 205 . 16 1 1 A 17 17 LYS CA C 17 57.115 59.072 -1.957 1
1 206 . 16 1 1 A 17 17 LYS CB C 17 32.833 32.300 0.533 1
1 210 . 16 1 1 A 17 17 LYS N N 17 120.310 122.511 -2.201 1
1 211 . 16 1 1 A 18 18 VAL H H 18 7.871 7.573 0.298 1
1 212 . 16 1 1 A 18 18 VAL HA H 18 4.108 3.894 0.214 1
1 220 . 16 1 1 A 18 18 VAL C C 18 177.476 178.117 -0.641 1
1 221 . 16 1 1 A 18 18 VAL CA C 18 63.634 65.607 -1.973 1
1 222 . 16 1 1 A 18 18 VAL CB C 18 31.886 31.192 0.694 1
1 225 . 16 1 1 A 18 18 VAL N N 18 120.571 118.055 2.516 1
1 226 . 16 1 1 A 19 19 LEU H H 19 8.180 8.038 0.142 1
1 227 . 16 1 1 A 19 19 LEU HA H 19 4.042 3.939 0.103 1
1 237 . 16 1 1 A 19 19 LEU C C 19 179.462 179.293 0.169 1
1 238 . 16 1 1 A 19 19 LEU CA C 19 57.653 58.048 -0.395 1
1 239 . 16 1 1 A 19 19 LEU CB C 19 41.800 40.963 0.837 1
1 243 . 16 1 1 A 19 19 LEU N N 19 122.936 121.448 1.488 1
1 244 . 16 1 1 A 20 20 GLU H H 20 8.122 7.948 0.174 1
1 245 . 16 1 1 A 20 20 GLU HA H 20 4.156 4.162 -0.006 1
1 250 . 16 1 1 A 20 20 GLU C C 20 178.001 179.554 -1.553 1
1 251 . 16 1 1 A 20 20 GLU CA C 20 58.045 59.305 -1.260 1
1 252 . 16 1 1 A 20 20 GLU CB C 20 30.092 29.076 1.016 1
1 254 . 16 1 1 A 20 20 GLU N N 20 118.745 118.274 0.471 1
1 255 . 16 1 1 A 21 21 GLU H H 21 8.190 7.769 0.421 1
1 256 . 16 1 1 A 21 21 GLU HA H 21 4.144 4.063 0.081 1
1 261 . 16 1 1 A 21 21 GLU C C 21 177.290 179.048 -1.758 1
1 262 . 16 1 1 A 21 21 GLU CA C 21 58.109 59.184 -1.075 1
1 263 . 16 1 1 A 21 21 GLU CB C 21 29.868 29.459 0.409 1
1 265 . 16 1 1 A 21 21 GLU N N 21 119.542 120.911 -1.369 1
1 266 . 16 1 1 A 22 22 ALA H H 22 8.092 8.598 -0.506 1
1 267 . 16 1 1 A 22 22 ALA HA H 22 4.173 4.173 0.000 1
1 271 . 16 1 1 A 22 22 ALA C C 22 179.020 179.883 -0.863 1
1 272 . 16 1 1 A 22 22 ALA CA C 22 53.944 54.937 -0.993 1
1 273 . 16 1 1 A 22 22 ALA CB C 22 18.578 18.240 0.338 1
1 274 . 16 1 1 A 22 22 ALA N N 22 123.378 123.615 -0.237 1
1 275 . 16 1 1 A 23 23 SER H H 23 8.079 8.237 -0.158 1
1 276 . 16 1 1 A 23 23 SER HA H 23 4.300 4.314 -0.014 1
1 279 . 16 1 1 A 23 23 SER C C 23 173.125 176.669 -3.544 1
1 280 . 16 1 1 A 23 23 SER CA C 23 59.414 61.888 -2.474 1
1 281 . 16 1 1 A 23 23 SER CB C 23 63.520 62.910 0.610 1
1 282 . 16 1 1 A 23 23 SER N N 23 114.637 112.962 1.675 1
1 283 . 16 1 1 A 24 24 LYS H H 24 8.032 8.185 -0.153 1
1 284 . 16 1 1 A 24 24 LYS HA H 24 4.325 4.099 0.226 1
1 293 . 16 1 1 A 24 24 LYS C C 24 175.423 179.045 -3.622 1
1 294 . 16 1 1 A 24 24 LYS CA C 24 57.273 59.745 -2.472 1
1 295 . 16 1 1 A 24 24 LYS CB C 24 31.200 32.502 -1.302 1
1 299 . 16 1 1 A 24 24 LYS N N 24 122.635 121.917 0.718 1
1 300 . 16 1 1 A 25 25 LYS H H 25 8.042 8.371 -0.329 1
1 301 . 16 1 1 A 25 25 LYS HA H 25 4.169 4.063 0.106 1
1 310 . 16 1 1 A 25 25 LYS C C 25 177.025 179.093 -2.068 1
1 311 . 16 1 1 A 25 25 LYS CA C 25 56.876 59.443 -2.567 1
1 312 . 16 1 1 A 25 25 LYS CB C 25 31.200 32.235 -1.035 1
1 316 . 16 1 1 A 25 25 LYS N N 25 121.079 119.174 1.905 1
1 317 . 16 1 1 A 26 26 ALA H H 26 8.103 8.225 -0.122 1
1 318 . 16 1 1 A 26 26 ALA HA H 26 4.196 4.053 0.143 1
1 322 . 16 1 1 A 26 26 ALA C C 26 178.418 179.847 -1.429 1
1 323 . 16 1 1 A 26 26 ALA CA C 26 53.049 55.053 -2.004 1
1 324 . 16 1 1 A 26 26 ALA CB C 26 19.055 18.257 0.798 1
1 325 . 16 1 1 A 26 26 ALA N N 26 124.589 122.643 1.946 1
1 326 . 16 1 1 A 27 27 VAL H H 27 8.030 8.201 -0.171 1
1 327 . 16 1 1 A 27 27 VAL HA H 27 3.945 3.756 0.189 1
1 335 . 16 1 1 A 27 27 VAL C C 27 179.177 177.570 1.607 1
1 336 . 16 1 1 A 27 27 VAL CA C 27 63.001 64.849 -1.848 1
1 337 . 16 1 1 A 27 27 VAL CB C 27 32.449 31.293 1.156 1
1 340 . 16 1 1 A 27 27 VAL N N 27 119.340 117.284 2.056 1
1 341 . 16 1 1 A 28 28 GLU H H 28 8.187 8.186 0.001 1
1 342 . 16 1 1 A 28 28 GLU HA H 28 4.166 4.083 0.083 1
1 347 . 16 1 1 A 28 28 GLU C C 28 176.411 178.426 -2.015 1
1 348 . 16 1 1 A 28 28 GLU CA C 28 57.290 59.220 -1.930 1
1 349 . 16 1 1 A 28 28 GLU CB C 28 30.025 29.285 0.740 1
1 351 . 16 1 1 A 28 28 GLU N N 28 120.351 121.630 -1.279 1
1 352 . 16 1 1 A 29 29 ALA H H 29 8.173 8.465 -0.292 1
1 353 . 16 1 1 A 29 29 ALA HA H 29 4.230 4.072 0.158 1
1 357 . 16 1 1 A 29 29 ALA C C 29 176.924 179.674 -2.750 1
1 358 . 16 1 1 A 29 29 ALA CA C 29 53.338 54.937 -1.599 1
1 359 . 16 1 1 A 29 29 ALA CB C 29 18.964 18.642 0.322 1
1 360 . 16 1 1 A 29 29 ALA N N 29 124.463 122.263 2.200 1
1 361 . 16 1 1 A 30 30 GLU H H 30 8.239 8.034 0.205 1
1 362 . 16 1 1 A 30 30 GLU HA H 30 4.251 4.178 0.073 1
1 367 . 16 1 1 A 30 30 GLU C C 30 175.016 176.900 -1.884 1
1 368 . 16 1 1 A 30 30 GLU CA C 30 58.033 57.757 0.276 1
1 369 . 16 1 1 A 30 30 GLU CB C 30 29.996 28.941 1.055 1
1 371 . 16 1 1 A 30 30 GLU N N 30 122.971 114.889 8.082 1
1 372 . 16 1 1 A 31 31 ARG H H 31 8.261 7.558 0.703 1
1 373 . 16 1 1 A 31 31 ARG HA H 31 4.255 4.366 -0.111 1
1 385 . 16 1 1 A 31 31 ARG C C 31 176.727 176.661 0.066 1
1 386 . 16 1 1 A 31 31 ARG CA C 31 56.565 55.738 0.827 1
1 387 . 16 1 1 A 31 31 ARG CB C 31 30.783 28.377 2.406 1
1 390 . 16 1 1 A 31 31 ARG N N 31 121.894 119.227 2.667 1
1 392 . 16 1 1 A 32 32 GLY H H 32 8.302 8.480 -0.178 1
1 393 . 16 1 1 A 32 32 GLY HA2 H 32 3.852 4.068 -0.216 1
1 394 . 16 1 1 A 32 32 GLY HA3 H 32 3.852 4.068 -0.216 1
1 395 . 16 1 1 A 32 32 GLY C C 32 173.994 173.619 0.375 1
1 396 . 16 1 1 A 32 32 GLY CA C 32 45.077 45.050 0.027 1
1 397 . 16 1 1 A 32 32 GLY N N 32 109.773 110.291 -0.518 1
1 398 . 16 1 1 A 33 33 ALA H H 33 8.011 7.672 0.339 1
1 399 . 16 1 1 A 33 33 ALA HA H 33 4.212 4.806 -0.594 1
1 403 . 16 1 1 A 33 33 ALA CA C 33 50.522 49.520 1.002 1
1 404 . 16 1 1 A 33 33 ALA CB C 33 18.962 21.922 -2.960 1
1 405 . 16 1 1 A 33 33 ALA N N 33 123.601 122.827 0.774 1
1 406 . 16 1 1 A 34 34 PRO HA H 34 4.352 4.334 0.018 1
1 413 . 16 1 1 A 34 34 PRO C C 34 177.746 177.521 0.225 1
1 414 . 16 1 1 A 34 34 PRO CA C 34 63.520 63.864 -0.344 1
1 415 . 16 1 1 A 34 34 PRO CB C 34 31.938 31.309 0.629 1
1 418 . 16 1 1 A 35 35 GLY H H 35 8.433 8.940 -0.507 1
1 419 . 16 1 1 A 35 35 GLY HA2 H 35 3.848 3.922 -0.074 1
1 420 . 16 1 1 A 35 35 GLY HA3 H 35 3.848 3.924 -0.076 1
1 421 . 16 1 1 A 35 35 GLY C C 35 173.266 174.964 -1.698 1
1 422 . 16 1 1 A 35 35 GLY CA C 35 45.405 45.464 -0.059 1
1 423 . 16 1 1 A 35 35 GLY N N 35 109.298 112.718 -3.420 1
1 424 . 16 1 1 A 36 36 ALA H H 36 8.095 7.953 0.142 1
1 425 . 16 1 1 A 36 36 ALA HA H 36 4.196 4.266 -0.070 1
1 429 . 16 1 1 A 36 36 ALA C C 36 177.944 176.540 1.404 1
1 430 . 16 1 1 A 36 36 ALA CA C 36 52.551 52.447 0.104 1
1 431 . 16 1 1 A 36 36 ALA CB C 36 19.485 19.721 -0.236 1
1 432 . 16 1 1 A 36 36 ALA N N 36 124.605 122.758 1.847 1
1 433 . 16 1 1 A 37 37 ALA H H 37 8.199 8.957 -0.758 1
1 434 . 16 1 1 A 37 37 ALA HA H 37 4.491 4.216 0.275 1
1 438 . 16 1 1 A 37 37 ALA C C 37 177.456 177.296 0.160 1
1 439 . 16 1 1 A 37 37 ALA CA C 37 52.453 53.085 -0.632 1
1 440 . 16 1 1 A 37 37 ALA CB C 37 19.060 19.727 -0.667 1
1 441 . 16 1 1 A 37 37 ALA N N 37 123.695 122.303 1.392 1
1 442 . 16 1 1 A 38 38 LEU H H 38 8.099 7.966 0.133 1
1 443 . 16 1 1 A 38 38 LEU HA H 38 4.243 4.262 -0.019 1
1 453 . 16 1 1 A 38 38 LEU C C 38 177.358 177.201 0.157 1
1 454 . 16 1 1 A 38 38 LEU CA C 38 55.218 54.199 1.019 1
1 455 . 16 1 1 A 38 38 LEU CB C 38 42.228 41.126 1.102 1
1 459 . 16 1 1 A 38 38 LEU N N 38 121.531 114.534 6.997 1
1 460 . 16 1 1 A 39 39 ILE H H 39 7.966 7.538 0.428 1
1 461 . 16 1 1 A 39 39 ILE HA H 39 4.136 4.064 0.072 1
1 471 . 16 1 1 A 39 39 ILE C C 39 175.586 176.022 -0.436 1
1 472 . 16 1 1 A 39 39 ILE CA C 39 60.873 62.979 -2.106 1
1 473 . 16 1 1 A 39 39 ILE CB C 39 38.727 37.848 0.879 1
1 477 . 16 1 1 A 39 39 ILE N N 39 121.669 121.195 0.474 1
1 478 . 16 1 1 A 40 40 SER H H 40 8.101 7.655 0.446 1
1 479 . 16 1 1 A 40 40 SER HA H 40 4.347 4.636 -0.289 1
1 482 . 16 1 1 A 40 40 SER C C 40 173.336 174.419 -1.083 1
1 483 . 16 1 1 A 40 40 SER CA C 40 57.331 58.653 -1.322 1
1 484 . 16 1 1 A 40 40 SER CB C 40 63.983 63.938 0.045 1
1 485 . 16 1 1 A 40 40 SER N N 40 119.591 117.871 1.720 1
1 486 . 16 1 1 A 41 41 TYR H H 41 8.100 9.171 -1.071 1
1 487 . 16 1 1 A 41 41 TYR HA H 41 4.436 4.335 0.101 1
1 494 . 16 1 1 A 41 41 TYR CA C 41 56.067 62.748 -6.681 1
1 495 . 16 1 1 A 41 41 TYR CB C 41 38.244 36.827 1.417 1
1 496 . 16 1 1 A 41 41 TYR N N 41 122.744 126.452 -3.708 1
1 497 . 16 1 1 A 42 42 PRO HA H 42 4.281 3.988 0.293 1
1 504 . 16 1 1 A 42 42 PRO C C 42 176.765 177.582 -0.817 1
1 505 . 16 1 1 A 42 42 PRO CA C 42 63.650 64.571 -0.921 1
1 506 . 16 1 1 A 42 42 PRO CB C 42 30.513 31.222 -0.709 1
1 509 . 16 1 1 A 43 43 ASP H H 43 8.305 8.238 0.067 1
1 510 . 16 1 1 A 43 43 ASP HA H 43 4.548 4.380 0.168 1
1 513 . 16 1 1 A 43 43 ASP C C 43 175.135 178.238 -3.103 1
1 514 . 16 1 1 A 43 43 ASP CA C 43 53.570 56.394 -2.824 1
1 515 . 16 1 1 A 43 43 ASP CB C 43 38.450 41.187 -2.737 1
1 516 . 16 1 1 A 43 43 ASP N N 43 118.052 117.329 0.723 1
1 517 . 16 1 1 A 44 44 ALA H H 44 8.013 8.161 -0.148 1
1 518 . 16 1 1 A 44 44 ALA HA H 44 4.106 4.201 -0.095 1
1 522 . 16 1 1 A 44 44 ALA C C 44 177.969 179.824 -1.855 1
1 523 . 16 1 1 A 44 44 ALA CA C 44 52.867 55.376 -2.509 1
1 524 . 16 1 1 A 44 44 ALA CB C 44 19.023 17.909 1.114 1
1 525 . 16 1 1 A 44 44 ALA N N 44 123.344 122.648 0.696 1
1 526 . 16 1 1 A 45 45 ILE H H 45 7.860 7.557 0.303 1
1 527 . 16 1 1 A 45 45 ILE HA H 45 3.855 3.912 -0.057 1
1 537 . 16 1 1 A 45 45 ILE C C 45 176.287 177.658 -1.371 1
1 538 . 16 1 1 A 45 45 ILE CA C 45 61.465 63.592 -2.127 1
1 539 . 16 1 1 A 45 45 ILE CB C 45 38.294 37.720 0.574 1
1 543 . 16 1 1 A 45 45 ILE N N 45 118.636 118.735 -0.099 1
1 544 . 16 1 1 A 46 46 TRP H H 46 7.646 7.884 -0.238 1
1 545 . 16 1 1 A 46 46 TRP HA H 46 4.504 4.263 0.241 1
1 554 . 16 1 1 A 46 46 TRP C C 46 176.136 178.808 -2.672 1
1 555 . 16 1 1 A 46 46 TRP CA C 46 57.139 59.889 -2.750 1
1 556 . 16 1 1 A 46 46 TRP CB C 46 28.880 29.223 -0.343 1
1 558 . 16 1 1 A 46 46 TRP N N 46 122.947 122.235 0.712 1
1 560 . 16 1 1 A 47 47 TRP H H 47 7.502 7.937 -0.435 1
1 561 . 16 1 1 A 47 47 TRP HA H 47 4.482 4.339 0.143 1
1 570 . 16 1 1 A 47 47 TRP C C 47 176.149 178.253 -2.104 1
1 571 . 16 1 1 A 47 47 TRP CA C 47 57.197 61.061 -3.864 1
1 572 . 16 1 1 A 47 47 TRP CB C 47 29.703 29.401 0.302 1
1 573 . 16 1 1 A 47 47 TRP N N 47 120.943 121.833 -0.890 1
1 575 . 16 1 1 A 48 48 SER H H 48 7.861 8.259 -0.398 1
1 576 . 16 1 1 A 48 48 SER HA H 48 4.258 3.817 0.441 1
1 579 . 16 1 1 A 48 48 SER C C 48 174.600 175.764 -1.164 1
1 580 . 16 1 1 A 48 48 SER CA C 48 57.844 61.980 -4.136 1
1 581 . 16 1 1 A 48 48 SER CB C 48 64.102 62.986 1.116 1
1 582 . 16 1 1 A 48 48 SER N N 48 116.339 115.872 0.467 1
1 583 . 16 1 1 A 49 49 VAL H H 49 7.921 7.368 0.553 1
1 584 . 16 1 1 A 49 49 VAL HA H 49 3.990 3.388 0.602 1
1 592 . 16 1 1 A 49 49 VAL C C 49 176.402 177.681 -1.279 1
1 593 . 16 1 1 A 49 49 VAL CA C 49 62.909 66.801 -3.892 1
1 594 . 16 1 1 A 49 49 VAL CB C 49 32.467 31.258 1.209 1
1 597 . 16 1 1 A 49 49 VAL N N 49 121.079 121.466 -0.387 1
1 598 . 16 1 1 A 50 50 GLU H H 50 8.229 7.755 0.474 1
1 599 . 16 1 1 A 50 50 GLU HA H 50 4.307 3.998 0.309 1
1 604 . 16 1 1 A 50 50 GLU C C 50 176.506 178.303 -1.797 1
1 605 . 16 1 1 A 50 50 GLU CA C 50 57.040 58.462 -1.422 1
1 606 . 16 1 1 A 50 50 GLU CB C 50 30.123 29.463 0.660 1
1 608 . 16 1 1 A 50 50 GLU N N 50 122.433 119.384 3.049 1
1 609 . 16 1 1 A 51 51 THR H H 51 7.993 7.121 0.872 1
1 610 . 16 1 1 A 51 51 THR HA H 51 4.248 4.150 0.098 1
1 615 . 16 1 1 A 51 51 THR C C 51 174.430 176.450 -2.020 1
1 616 . 16 1 1 A 51 51 THR CA C 51 62.227 64.504 -2.277 1
1 617 . 16 1 1 A 51 51 THR CB C 51 69.712 69.223 0.489 1
1 619 . 16 1 1 A 51 51 THR N N 51 114.413 113.934 0.479 1
1 620 . 16 1 1 A 52 52 ALA H H 52 8.160 7.573 0.587 1
1 621 . 16 1 1 A 52 52 ALA HA H 52 4.212 4.178 0.034 1
1 625 . 16 1 1 A 52 52 ALA C C 52 177.976 179.119 -1.143 1
1 626 . 16 1 1 A 52 52 ALA CA C 52 53.069 54.308 -1.239 1
1 627 . 16 1 1 A 52 52 ALA CB C 52 19.178 18.323 0.855 1
1 628 . 16 1 1 A 52 52 ALA N N 52 125.641 123.346 2.295 1
1 629 . 16 1 1 A 53 53 THR H H 53 8.022 7.650 0.372 1
1 630 . 16 1 1 A 53 53 THR HA H 53 4.231 4.422 -0.191 1
1 635 . 16 1 1 A 53 53 THR C C 53 174.750 174.505 0.245 1
1 636 . 16 1 1 A 53 53 THR CA C 53 62.231 62.146 0.085 1
1 637 . 16 1 1 A 53 53 THR CB C 53 69.726 69.255 0.471 1
1 639 . 16 1 1 A 53 53 THR N N 53 112.100 108.212 3.888 1
1 640 . 16 1 1 A 54 54 THR H H 54 7.999 8.134 -0.135 1
1 641 . 16 1 1 A 54 54 THR HA H 54 4.303 4.024 0.279 1
1 646 . 16 1 1 A 54 54 THR C C 54 174.592 173.774 0.818 1
1 647 . 16 1 1 A 54 54 THR CA C 54 62.002 62.849 -0.847 1
1 648 . 16 1 1 A 54 54 THR CB C 54 69.793 66.435 3.358 1
1 650 . 16 1 1 A 54 54 THR N N 54 116.238 115.335 0.903 1
1 651 . 16 1 1 A 55 55 VAL H H 55 8.098 8.103 -0.005 1
1 652 . 16 1 1 A 55 55 VAL HA H 55 4.017 4.153 -0.136 1
1 660 . 16 1 1 A 55 55 VAL C C 55 176.453 176.721 -0.268 1
1 661 . 16 1 1 A 55 55 VAL CA C 55 62.650 63.544 -0.894 1
1 662 . 16 1 1 A 55 55 VAL CB C 55 32.524 33.187 -0.663 1
1 665 . 16 1 1 A 55 55 VAL N N 55 122.445 119.803 2.642 1
1 666 . 16 1 1 A 56 56 GLY H H 56 8.308 7.985 0.323 1
1 667 . 16 1 1 A 56 56 GLY HA2 H 56 3.839 3.981 -0.142 1
1 668 . 16 1 1 A 56 56 GLY HA3 H 56 4.019 3.995 0.024 1
1 669 . 16 1 1 A 56 56 GLY C C 56 173.958 174.569 -0.611 1
1 670 . 16 1 1 A 56 56 GLY CA C 56 45.216 46.719 -1.503 1
1 671 . 16 1 1 A 56 56 GLY N N 56 112.118 108.215 3.903 1
1 672 . 16 1 1 A 57 57 TYR H H 57 8.051 8.357 -0.306 1
1 673 . 16 1 1 A 57 57 TYR HA H 57 4.402 4.330 0.072 1
1 680 . 16 1 1 A 57 57 TYR C C 57 176.557 175.886 0.671 1
1 681 . 16 1 1 A 57 57 TYR CA C 57 58.251 61.329 -3.078 1
1 682 . 16 1 1 A 57 57 TYR CB C 57 38.935 40.007 -1.072 1
1 683 . 16 1 1 A 57 57 TYR N N 57 120.259 120.461 -0.202 1
1 684 . 16 1 1 A 58 58 GLY H H 58 8.335 7.950 0.385 1
1 685 . 16 1 1 A 58 58 GLY HA2 H 58 3.801 4.277 -0.476 1
1 686 . 16 1 1 A 58 58 GLY HA3 H 58 3.801 4.311 -0.510 1
1 687 . 16 1 1 A 58 58 GLY C C 58 173.911 173.212 0.699 1
1 688 . 16 1 1 A 58 58 GLY CA C 58 45.311 45.851 -0.540 1
1 689 . 16 1 1 A 58 58 GLY N N 58 110.220 106.751 3.469 1
1 690 . 16 1 1 A 59 59 ASP H H 59 8.161 8.912 -0.751 1
1 691 . 16 1 1 A 59 59 ASP HA H 59 4.581 4.567 0.014 1
1 694 . 16 1 1 A 59 59 ASP C C 59 175.189 175.742 -0.553 1
1 695 . 16 1 1 A 59 59 ASP CA C 59 53.570 56.703 -3.133 1
1 696 . 16 1 1 A 59 59 ASP CB C 59 38.750 40.437 -1.687 1
1 697 . 16 1 1 A 59 59 ASP N N 59 118.765 121.356 -2.591 1
1 698 . 16 1 1 A 60 60 ARG H H 60 8.086 8.414 -0.328 1
1 699 . 16 1 1 A 60 60 ARG HA H 60 4.152 4.760 -0.608 1
1 711 . 16 1 1 A 60 60 ARG C C 60 176.603 174.692 1.911 1
1 712 . 16 1 1 A 60 60 ARG CA C 60 56.825 55.047 1.778 1
1 713 . 16 1 1 A 60 60 ARG CB C 60 30.935 32.658 -1.723 1
1 716 . 16 1 1 A 60 60 ARG N N 60 120.762 119.114 1.648 1
1 718 . 16 1 1 A 61 61 TYR H H 61 8.117 8.444 -0.327 1
1 719 . 16 1 1 A 61 61 TYR HA H 61 4.488 5.122 -0.634 1
1 726 . 16 1 1 A 61 61 TYR CA C 61 56.688 55.579 1.109 1
1 727 . 16 1 1 A 61 61 TYR CB C 61 39.582 39.542 0.040 1
1 728 . 16 1 1 A 61 61 TYR N N 61 121.714 118.048 3.666 1
1 729 . 16 1 1 A 62 62 PRO HA H 62 4.383 4.373 0.010 1
1 736 . 16 1 1 A 62 62 PRO C C 62 177.441 176.107 1.334 1
1 737 . 16 1 1 A 62 62 PRO CA C 62 63.212 61.993 1.219 1
1 738 . 16 1 1 A 62 62 PRO CB C 62 31.939 32.820 -0.881 1
1 741 . 16 1 1 A 63 63 VAL H H 63 8.217 8.305 -0.088 1
1 742 . 16 1 1 A 63 63 VAL HA H 63 4.164 4.485 -0.321 1
1 750 . 16 1 1 A 63 63 VAL C C 63 176.576 176.353 0.223 1
1 751 . 16 1 1 A 63 63 VAL CA C 63 62.382 60.441 1.941 1
1 752 . 16 1 1 A 63 63 VAL CB C 63 32.862 33.778 -0.916 1
1 755 . 16 1 1 A 63 63 VAL N N 63 120.316 121.276 -0.960 1
1 756 . 16 1 1 A 64 64 THR H H 64 8.084 8.972 -0.888 1
1 757 . 16 1 1 A 64 64 THR HA H 64 4.313 3.904 0.409 1
1 762 . 16 1 1 A 64 64 THR C C 64 174.558 176.062 -1.504 1
1 763 . 16 1 1 A 64 64 THR CA C 64 62.606 66.719 -4.113 1
1 764 . 16 1 1 A 64 64 THR CB C 64 70.496 69.007 1.489 1
1 766 . 16 1 1 A 64 64 THR N N 64 116.779 121.230 -4.451 1
1 767 . 16 1 1 A 65 65 GLU H H 65 8.404 8.005 0.399 1
1 768 . 16 1 1 A 65 65 GLU HA H 65 4.314 3.950 0.364 1
1 773 . 16 1 1 A 65 65 GLU C C 65 175.016 177.877 -2.861 1
1 774 . 16 1 1 A 65 65 GLU CA C 65 57.750 59.574 -1.824 1
1 775 . 16 1 1 A 65 65 GLU CB C 65 30.083 29.358 0.725 1
1 777 . 16 1 1 A 65 65 GLU N N 65 122.323 121.387 0.936 1
1 778 . 16 1 1 A 66 66 GLU H H 66 8.397 7.978 0.419 1
1 779 . 16 1 1 A 66 66 GLU HA H 66 4.224 4.624 -0.400 1
1 784 . 16 1 1 A 66 66 GLU C C 66 176.855 176.786 0.069 1
1 785 . 16 1 1 A 66 66 GLU CA C 66 58.023 56.302 1.721 1
1 786 . 16 1 1 A 66 66 GLU CB C 66 29.857 30.917 -1.060 1
1 788 . 16 1 1 A 66 66 GLU N N 66 122.201 117.885 4.316 1
1 789 . 16 1 1 A 67 67 GLY H H 67 8.376 8.593 -0.217 1
1 790 . 16 1 1 A 67 67 GLY HA2 H 67 3.834 3.798 0.036 1
1 791 . 16 1 1 A 67 67 GLY HA3 H 67 3.834 3.816 0.018 1
1 792 . 16 1 1 A 67 67 GLY C C 67 173.071 175.522 -2.451 1
1 793 . 16 1 1 A 67 67 GLY CA C 67 45.871 47.217 -1.346 1
1 794 . 16 1 1 A 67 67 GLY N N 67 109.499 109.360 0.139 1
1 795 . 16 1 1 A 68 68 ARG H H 68 8.011 8.858 -0.847 1
1 796 . 16 1 1 A 68 68 ARG HA H 68 4.482 4.041 0.441 1
1 808 . 16 1 1 A 68 68 ARG C C 68 177.494 179.313 -1.819 1
1 809 . 16 1 1 A 68 68 ARG CA C 68 57.574 59.063 -1.489 1
1 810 . 16 1 1 A 68 68 ARG CB C 68 30.325 30.028 0.297 1
1 813 . 16 1 1 A 68 68 ARG N N 68 122.501 122.030 0.471 1
1 815 . 16 1 1 A 69 69 LYS H H 69 7.986 8.384 -0.398 1
1 816 . 16 1 1 A 69 69 LYS HA H 69 4.150 4.208 -0.058 1
1 825 . 16 1 1 A 69 69 LYS C C 69 178.168 179.748 -1.580 1
1 826 . 16 1 1 A 69 69 LYS CA C 69 57.781 58.779 -0.998 1
1 827 . 16 1 1 A 69 69 LYS CB C 69 32.705 32.027 0.678 1
1 831 . 16 1 1 A 69 69 LYS N N 69 120.934 119.137 1.797 1
1 832 . 16 1 1 A 70 70 VAL H H 70 7.848 7.850 -0.002 1
1 833 . 16 1 1 A 70 70 VAL HA H 70 4.088 3.613 0.475 1
1 841 . 16 1 1 A 70 70 VAL C C 70 175.998 177.949 -1.951 1
1 842 . 16 1 1 A 70 70 VAL CA C 70 64.206 66.456 -2.250 1
1 843 . 16 1 1 A 70 70 VAL CB C 70 31.873 31.326 0.547 1
1 846 . 16 1 1 A 70 70 VAL N N 70 120.324 119.679 0.645 1
1 847 . 16 1 1 A 71 71 ALA H H 71 8.300 9.001 -0.701 1
1 848 . 16 1 1 A 71 71 ALA HA H 71 4.221 4.160 0.061 1
1 852 . 16 1 1 A 71 71 ALA C C 71 178.225 178.888 -0.663 1
1 853 . 16 1 1 A 71 71 ALA CA C 71 53.106 55.933 -2.827 1
1 854 . 16 1 1 A 71 71 ALA CB C 71 19.128 18.504 0.624 1
1 855 . 16 1 1 A 71 71 ALA N N 71 127.025 122.551 4.474 1
1 856 . 16 1 1 A 72 72 GLU H H 72 8.181 8.707 -0.526 1
1 857 . 16 1 1 A 72 72 GLU HA H 72 4.219 4.073 0.146 1
1 862 . 16 1 1 A 72 72 GLU C C 72 176.779 179.209 -2.430 1
1 863 . 16 1 1 A 72 72 GLU CA C 72 56.776 59.706 -2.930 1
1 864 . 16 1 1 A 72 72 GLU CB C 72 28.610 29.087 -0.477 1
1 866 . 16 1 1 A 72 72 GLU N N 72 123.008 118.353 4.655 1
1 867 . 16 1 1 A 73 73 GLN H H 73 8.132 7.538 0.594 1
1 868 . 16 1 1 A 73 73 GLN HA H 73 4.141 4.195 -0.054 1
1 875 . 16 1 1 A 73 73 GLN C C 73 175.803 178.985 -3.182 1
1 876 . 16 1 1 A 73 73 GLN CA C 73 56.456 58.701 -2.245 1
1 877 . 16 1 1 A 73 73 GLN CB C 73 28.290 28.455 -0.165 1
1 879 . 16 1 1 A 73 73 GLN N N 73 120.564 119.917 0.647 1
1 881 . 16 1 1 A 74 74 VAL H H 74 8.088 7.731 0.357 1
1 882 . 16 1 1 A 74 74 VAL HA H 74 3.986 3.539 0.447 1
1 890 . 16 1 1 A 74 74 VAL C C 74 176.167 177.898 -1.731 1
1 891 . 16 1 1 A 74 74 VAL CA C 74 63.123 66.419 -3.296 1
1 892 . 16 1 1 A 74 74 VAL CB C 74 30.082 31.870 -1.788 1
1 895 . 16 1 1 A 74 74 VAL N N 74 121.828 120.400 1.428 1
1 896 . 16 1 1 A 75 75 MET H H 75 8.167 8.349 -0.182 1
1 897 . 16 1 1 A 75 75 MET HA H 75 4.093 4.105 -0.012 1
1 903 . 16 1 1 A 75 75 MET C C 75 176.455 177.891 -1.436 1
1 904 . 16 1 1 A 75 75 MET N N 75 123.990 119.042 4.948 1
1 905 . 16 1 1 A 76 76 LYS H H 76 8.287 8.015 0.272 1
1 906 . 16 1 1 A 76 76 LYS HA H 76 4.234 4.030 0.204 1
1 915 . 16 1 1 A 76 76 LYS C C 76 176.220 179.035 -2.815 1
1 916 . 16 1 1 A 76 76 LYS CA C 76 56.765 58.944 -2.179 1
1 917 . 16 1 1 A 76 76 LYS CB C 76 33.055 32.277 0.778 1
1 921 . 16 1 1 A 76 76 LYS N N 76 122.725 120.572 2.153 1
1 922 . 16 1 1 A 77 77 ALA H H 77 8.308 8.248 0.060 1
1 923 . 16 1 1 A 77 77 ALA HA H 77 4.213 4.072 0.141 1
1 927 . 16 1 1 A 77 77 ALA C C 77 178.097 180.053 -1.956 1
1 928 . 16 1 1 A 77 77 ALA CA C 77 52.740 54.898 -2.158 1
1 929 . 16 1 1 A 77 77 ALA CB C 77 19.427 18.257 1.170 1
1 930 . 16 1 1 A 77 77 ALA N N 77 125.316 121.038 4.278 1
1 931 . 16 1 1 A 78 78 GLY H H 78 8.284 8.183 0.101 1
1 932 . 16 1 1 A 78 78 GLY HA2 H 78 3.873 3.548 0.325 1
1 933 . 16 1 1 A 78 78 GLY HA3 H 78 3.873 3.689 0.184 1
1 934 . 16 1 1 A 78 78 GLY C C 78 174.065 175.478 -1.413 1
1 935 . 16 1 1 A 78 78 GLY CA C 78 45.497 47.200 -1.703 1
1 936 . 16 1 1 A 78 78 GLY N N 78 107.778 105.339 2.439 1
1 937 . 16 1 1 A 79 79 ILE H H 79 7.882 8.426 -0.544 1
1 938 . 16 1 1 A 79 79 ILE HA H 79 4.119 3.980 0.139 1
1 948 . 16 1 1 A 79 79 ILE C C 79 176.160 178.441 -2.281 1
1 949 . 16 1 1 A 79 79 ILE CA C 79 61.436 64.386 -2.950 1
1 950 . 16 1 1 A 79 79 ILE CB C 79 38.904 37.440 1.464 1
1 954 . 16 1 1 A 79 79 ILE N N 79 119.794 122.704 -2.910 1
1 955 . 16 1 1 A 80 80 GLU H H 80 8.354 8.400 -0.046 1
1 956 . 16 1 1 A 80 80 GLU HA H 80 4.282 4.079 0.203 1
1 961 . 16 1 1 A 80 80 GLU C C 80 176.174 178.629 -2.455 1
1 962 . 16 1 1 A 80 80 GLU CA C 80 57.178 58.714 -1.536 1
1 963 . 16 1 1 A 80 80 GLU CB C 80 30.019 28.329 1.690 1
1 965 . 16 1 1 A 80 80 GLU N N 80 124.311 120.039 4.272 1
1 966 . 16 1 1 A 81 81 VAL H H 81 8.205 7.611 0.594 1
1 967 . 16 1 1 A 81 81 VAL HA H 81 3.985 3.566 0.419 1
1 975 . 16 1 1 A 81 81 VAL C C 81 175.815 178.102 -2.287 1
1 976 . 16 1 1 A 81 81 VAL CA C 81 62.865 66.243 -3.378 1
1 977 . 16 1 1 A 81 81 VAL CB C 81 32.629 31.475 1.154 1
1 980 . 16 1 1 A 81 81 VAL N N 81 121.106 120.901 0.205 1
1 981 . 16 1 1 A 82 82 PHE H H 82 8.252 7.929 0.323 1
1 982 . 16 1 1 A 82 82 PHE HA H 82 4.551 4.164 0.387 1
1 990 . 16 1 1 A 82 82 PHE C C 82 175.631 177.828 -2.197 1
1 991 . 16 1 1 A 82 82 PHE CA C 82 58.206 61.586 -3.380 1
1 992 . 16 1 1 A 82 82 PHE CB C 82 39.431 37.795 1.636 1
1 993 . 16 1 1 A 82 82 PHE N N 82 123.622 118.438 5.184 1
1 994 . 16 1 1 A 83 83 ALA H H 83 8.184 8.434 -0.250 1
1 995 . 16 1 1 A 83 83 ALA HA H 83 4.230 4.120 0.110 1
1 999 . 16 1 1 A 83 83 ALA C C 83 178.025 179.815 -1.790 1
1 1000 . 16 1 1 A 83 83 ALA CA C 83 52.731 55.037 -2.306 1
1 1001 . 16 1 1 A 83 83 ALA CB C 83 19.359 18.351 1.008 1
1 1002 . 16 1 1 A 83 83 ALA N N 83 125.081 122.380 2.701 1
1 1003 . 16 1 1 A 84 84 LEU H H 84 8.104 8.187 -0.083 1
1 1004 . 16 1 1 A 84 84 LEU HA H 84 4.167 4.076 0.091 1
1 1014 . 16 1 1 A 84 84 LEU C C 84 176.390 178.687 -2.297 1
1 1015 . 16 1 1 A 84 84 LEU CA C 84 55.786 57.686 -1.900 1
1 1016 . 16 1 1 A 84 84 LEU CB C 84 42.179 41.613 0.566 1
1 1020 . 16 1 1 A 84 84 LEU N N 84 119.064 120.016 -0.952 1
1 1021 . 16 1 1 A 85 85 VAL H H 85 8.155 7.512 0.643 1
1 1022 . 16 1 1 A 85 85 VAL HA H 85 4.073 4.026 0.047 1
1 1030 . 16 1 1 A 85 85 VAL C C 85 176.521 177.614 -1.093 1
1 1031 . 16 1 1 A 85 85 VAL CA C 85 62.762 64.516 -1.754 1
1 1032 . 16 1 1 A 85 85 VAL CB C 85 32.498 31.606 0.892 1
1 1035 . 16 1 1 A 85 85 VAL N N 85 121.743 114.619 7.124 1
1 1036 . 16 1 1 A 86 86 THR H H 86 8.052 7.973 0.079 1
1 1037 . 16 1 1 A 86 86 THR HA H 86 4.141 3.963 0.178 1
1 1042 . 16 1 1 A 86 86 THR C C 86 174.706 176.129 -1.423 1
1 1043 . 16 1 1 A 86 86 THR CA C 86 62.351 66.103 -3.752 1
1 1044 . 16 1 1 A 86 86 THR CB C 86 69.618 68.335 1.283 1
1 1046 . 16 1 1 A 86 86 THR N N 86 117.693 116.294 1.399 1
1 1047 . 16 1 1 A 87 87 ALA H H 87 8.216 8.139 0.077 1
1 1048 . 16 1 1 A 87 87 ALA HA H 87 4.170 3.856 0.314 1
1 1052 . 16 1 1 A 87 87 ALA C C 87 178.003 179.678 -1.675 1
1 1053 . 16 1 1 A 87 87 ALA CA C 87 52.967 55.362 -2.395 1
1 1054 . 16 1 1 A 87 87 ALA CB C 87 18.326 17.721 0.605 1
1 1055 . 16 1 1 A 87 87 ALA N N 87 126.174 123.317 2.857 1
1 1056 . 16 1 1 A 88 88 ALA H H 88 8.129 7.977 0.152 1
1 1057 . 16 1 1 A 88 88 ALA HA H 88 4.147 4.243 -0.096 1
1 1061 . 16 1 1 A 88 88 ALA C C 88 178.246 179.833 -1.587 1
1 1062 . 16 1 1 A 88 88 ALA CA C 88 52.961 55.057 -2.096 1
1 1063 . 16 1 1 A 88 88 ALA CB C 88 19.290 18.438 0.852 1
1 1064 . 16 1 1 A 88 88 ALA N N 88 122.649 120.914 1.735 1
1 1065 . 16 1 1 A 89 89 LEU H H 89 7.992 7.860 0.132 1
1 1066 . 16 1 1 A 89 89 LEU HA H 89 4.153 3.989 0.164 1
1 1076 . 16 1 1 A 89 89 LEU C C 89 176.375 179.134 -2.759 1
1 1077 . 16 1 1 A 89 89 LEU CA C 89 57.099 58.110 -1.011 1
1 1078 . 16 1 1 A 89 89 LEU CB C 89 42.055 41.166 0.889 1
1 1082 . 16 1 1 A 89 89 LEU N N 89 120.616 118.920 1.696 1
1 1083 . 16 1 1 A 90 90 ALA H H 90 8.168 8.481 -0.313 1
1 1084 . 16 1 1 A 90 90 ALA HA H 90 4.218 4.193 0.025 1
1 1088 . 16 1 1 A 90 90 ALA C C 90 178.487 179.966 -1.479 1
1 1089 . 16 1 1 A 90 90 ALA CA C 90 53.043 55.146 -2.103 1
1 1090 . 16 1 1 A 90 90 ALA CB C 90 19.269 18.390 0.879 1
1 1091 . 16 1 1 A 90 90 ALA N N 90 124.243 122.463 1.780 1
1 1092 . 16 1 1 A 91 91 THR H H 91 7.988 7.694 0.294 1
1 1093 . 16 1 1 A 91 91 THR HA H 91 4.181 3.873 0.308 1
1 1098 . 16 1 1 A 91 91 THR C C 91 174.931 175.830 -0.899 1
1 1099 . 16 1 1 A 91 91 THR CA C 91 62.190 64.570 -2.380 1
1 1100 . 16 1 1 A 91 91 THR CB C 91 69.198 68.450 0.748 1
1 1102 . 16 1 1 A 91 91 THR N N 91 112.659 110.159 2.500 1
1 1103 . 16 1 1 A 92 92 ASP H H 92 8.254 7.964 0.290 1
1 1104 . 16 1 1 A 92 92 ASP HA H 92 4.541 4.550 -0.009 1
1 1107 . 16 1 1 A 92 92 ASP C C 92 175.823 178.333 -2.510 1
1 1108 . 16 1 1 A 92 92 ASP CA C 92 53.570 56.101 -2.531 1
1 1109 . 16 1 1 A 92 92 ASP CB C 92 38.750 40.874 -2.124 1
1 1110 . 16 1 1 A 92 92 ASP N N 92 120.688 122.488 -1.800 1
1 1111 . 16 1 1 A 93 93 PHE H H 93 8.048 7.641 0.407 1
1 1112 . 16 1 1 A 93 93 PHE HA H 93 4.547 4.465 0.082 1
1 1120 . 16 1 1 A 93 93 PHE C C 93 176.384 177.366 -0.982 1
1 1121 . 16 1 1 A 93 93 PHE CA C 93 58.633 59.502 -0.869 1
1 1122 . 16 1 1 A 93 93 PHE CB C 93 39.451 37.691 1.760 1
1 1123 . 16 1 1 A 93 93 PHE N N 93 120.763 117.518 3.245 1
1 1124 . 16 1 1 A 94 94 VAL H H 94 7.904 7.425 0.479 1
1 1125 . 16 1 1 A 94 94 VAL HA H 94 4.364 3.490 0.874 1
1 1133 . 16 1 1 A 94 94 VAL C C 94 176.851 178.362 -1.511 1
1 1134 . 16 1 1 A 94 94 VAL CA C 94 63.297 66.176 -2.879 1
1 1135 . 16 1 1 A 94 94 VAL CB C 94 29.241 31.481 -2.240 1
1 1138 . 16 1 1 A 94 94 VAL N N 94 121.478 120.697 0.781 1
1 1139 . 16 1 1 A 95 95 ARG H H 95 8.146 7.992 0.154 1
1 1140 . 16 1 1 A 95 95 ARG HA H 95 4.134 4.097 0.037 1
1 1152 . 16 1 1 A 95 95 ARG C C 95 177.395 179.494 -2.099 1
1 1153 . 16 1 1 A 95 95 ARG CA C 95 55.978 59.242 -3.264 1
1 1154 . 16 1 1 A 95 95 ARG CB C 95 31.070 29.824 1.246 1
1 1157 . 16 1 1 A 95 95 ARG N N 95 122.920 119.524 3.396 1
1 1159 . 16 1 1 A 96 96 ARG H H 96 8.313 8.181 0.132 1
1 1160 . 16 1 1 A 96 96 ARG HA H 96 4.180 4.081 0.099 1
1 1172 . 16 1 1 A 96 96 ARG C C 96 176.839 178.783 -1.944 1
1 1173 . 16 1 1 A 96 96 ARG CA C 96 56.831 58.687 -1.856 1
1 1174 . 16 1 1 A 96 96 ARG CB C 96 30.952 29.959 0.993 1
1 1177 . 16 1 1 A 96 96 ARG N N 96 121.064 120.377 0.687 1
1 1179 . 16 1 1 A 97 97 GLU H H 97 8.356 8.197 0.159 1
1 1180 . 16 1 1 A 97 97 GLU HA H 97 4.220 4.096 0.124 1
1 1185 . 16 1 1 A 97 97 GLU C C 97 176.319 178.474 -2.155 1
1 1186 . 16 1 1 A 97 97 GLU CA C 97 57.408 59.036 -1.628 1
1 1187 . 16 1 1 A 97 97 GLU CB C 97 28.610 28.781 -0.171 1
1 1189 . 16 1 1 A 97 97 GLU N N 97 121.754 117.085 4.669 1
1 1190 . 16 1 1 A 98 98 GLU H H 98 8.328 8.341 -0.013 1
1 1191 . 16 1 1 A 98 98 GLU HA H 98 4.240 4.187 0.053 1
1 1196 . 16 1 1 A 98 98 GLU C C 98 176.132 179.222 -3.090 1
1 1197 . 16 1 1 A 98 98 GLU CA C 98 57.666 58.989 -1.323 1
1 1198 . 16 1 1 A 98 98 GLU CB C 98 30.045 29.398 0.647 1
1 1200 . 16 1 1 A 98 98 GLU N N 98 121.414 119.849 1.565 1
1 1201 . 16 1 1 A 99 99 GLU H H 99 8.418 7.850 0.568 1
1 1202 . 16 1 1 A 99 99 GLU HA H 99 4.299 4.160 0.139 1
1 1207 . 16 1 1 A 99 99 GLU C C 99 177.021 179.674 -2.653 1
1 1208 . 16 1 1 A 99 99 GLU CA C 99 57.397 59.018 -1.621 1
1 1209 . 16 1 1 A 99 99 GLU CB C 99 30.309 29.148 1.161 1
1 1211 . 16 1 1 A 99 99 GLU N N 99 121.312 120.993 0.319 1
1 1212 . 16 1 1 A 100 100 ARG H H 100 8.013 7.839 0.174 1
1 1213 . 16 1 1 A 100 100 ARG HA H 100 4.180 4.125 0.055 1
1 1225 . 16 1 1 A 100 100 ARG C C 100 176.313 178.837 -2.524 1
1 1226 . 16 1 1 A 100 100 ARG CA C 100 57.238 59.120 -1.882 1
1 1227 . 16 1 1 A 100 100 ARG CB C 100 30.298 29.846 0.452 1
1 1230 . 16 1 1 A 100 100 ARG N N 100 121.871 121.538 0.333 1
1 1232 . 16 1 1 A 101 101 ARG H H 101 8.260 7.299 0.961 1
1 1233 . 16 1 1 A 101 101 ARG HA H 101 4.260 4.237 0.023 1
1 1245 . 16 1 1 A 101 101 ARG C C 101 176.753 177.057 -0.304 1
1 1246 . 16 1 1 A 101 101 ARG CA C 101 56.492 56.271 0.221 1
1 1247 . 16 1 1 A 101 101 ARG CB C 101 30.838 30.700 0.138 1
1 1250 . 16 1 1 A 101 101 ARG N N 101 122.019 115.770 6.249 1
1 1252 . 16 1 1 A 102 102 GLY H H 102 8.380 7.931 0.449 1
1 1253 . 16 1 1 A 102 102 GLY HA2 H 102 3.849 3.964 -0.115 1
1 1254 . 16 1 1 A 102 102 GLY HA3 H 102 3.849 3.966 -0.117 1
1 1255 . 16 1 1 A 102 102 GLY C C 102 173.145 174.775 -1.630 1
1 1256 . 16 1 1 A 102 102 GLY CA C 102 45.401 46.122 -0.721 1
1 1257 . 16 1 1 A 102 102 GLY N N 102 110.110 107.359 2.751 1
1 9 . 17 1 1 A 2 2 ALA H H 2 8.742 8.504 0.238 1
1 10 . 17 1 1 A 2 2 ALA HA H 2 4.302 3.857 0.445 1
1 14 . 17 1 1 A 2 2 ALA C C 2 177.216 175.644 1.572 1
1 15 . 17 1 1 A 2 2 ALA CA C 2 52.876 54.072 -1.196 1
1 16 . 17 1 1 A 2 2 ALA CB C 2 19.182 17.387 1.795 1
1 17 . 17 1 1 A 2 2 ALA N N 2 124.657 124.305 0.352 1
1 18 . 17 1 1 A 3 3 ASP H H 3 8.432 8.282 0.150 1
1 19 . 17 1 1 A 3 3 ASP HA H 3 4.530 5.310 -0.780 1
1 22 . 17 1 1 A 3 3 ASP C C 3 176.023 175.000 1.023 1
1 23 . 17 1 1 A 3 3 ASP CA C 3 53.721 52.874 0.847 1
1 24 . 17 1 1 A 3 3 ASP CB C 3 38.752 44.122 -5.370 1
1 25 . 17 1 1 A 3 3 ASP N N 3 118.729 119.722 -0.993 1
1 26 . 17 1 1 A 4 4 HIS H H 4 8.549 8.327 0.222 1
1 27 . 17 1 1 A 4 4 HIS HA H 4 4.568 4.531 0.037 1
1 32 . 17 1 1 A 4 4 HIS C C 4 175.101 175.301 -0.200 1
1 33 . 17 1 1 A 4 4 HIS CA C 4 56.640 56.810 -0.170 1
1 34 . 17 1 1 A 4 4 HIS CB C 4 28.961 31.234 -2.273 1
1 37 . 17 1 1 A 4 4 HIS N N 4 119.650 119.294 0.356 1
1 38 . 17 1 1 A 5 5 GLU H H 5 8.330 8.324 0.006 1
1 39 . 17 1 1 A 5 5 GLU HA H 5 4.207 4.099 0.108 1
1 44 . 17 1 1 A 5 5 GLU C C 5 175.749 178.692 -2.943 1
1 45 . 17 1 1 A 5 5 GLU CA C 5 56.594 58.920 -2.326 1
1 46 . 17 1 1 A 5 5 GLU CB C 5 29.285 29.216 0.069 1
1 48 . 17 1 1 A 5 5 GLU N N 5 120.937 119.499 1.438 1
1 49 . 17 1 1 A 6 6 ARG H H 6 8.325 8.236 0.089 1
1 50 . 17 1 1 A 6 6 ARG HA H 6 4.571 4.013 0.558 1
1 62 . 17 1 1 A 6 6 ARG C C 6 177.578 178.571 -0.993 1
1 63 . 17 1 1 A 6 6 ARG CA C 6 56.716 59.097 -2.381 1
1 64 . 17 1 1 A 6 6 ARG CB C 6 30.744 30.009 0.735 1
1 67 . 17 1 1 A 6 6 ARG N N 6 120.267 120.034 0.233 1
1 69 . 17 1 1 A 7 7 GLU H H 7 8.136 7.934 0.202 1
1 70 . 17 1 1 A 7 7 GLU HA H 7 4.165 4.113 0.052 1
1 75 . 17 1 1 A 7 7 GLU C C 7 177.156 178.798 -1.642 1
1 76 . 17 1 1 A 7 7 GLU CA C 7 57.125 58.827 -1.702 1
1 77 . 17 1 1 A 7 7 GLU CB C 7 30.149 29.125 1.024 1
1 79 . 17 1 1 A 7 7 GLU N N 7 121.008 119.767 1.241 1
1 80 . 17 1 1 A 8 8 ALA H H 8 8.325 7.990 0.335 1
1 81 . 17 1 1 A 8 8 ALA HA H 8 4.212 3.981 0.231 1
1 85 . 17 1 1 A 8 8 ALA C C 8 178.913 179.060 -0.147 1
1 86 . 17 1 1 A 8 8 ALA CA C 8 52.832 55.445 -2.613 1
1 87 . 17 1 1 A 8 8 ALA CB C 8 18.909 18.301 0.608 1
1 88 . 17 1 1 A 8 8 ALA N N 8 124.538 121.977 2.561 1
1 89 . 17 1 1 A 9 9 GLN H H 9 8.159 7.807 0.352 1
1 90 . 17 1 1 A 9 9 GLN HA H 9 4.140 3.913 0.227 1
1 97 . 17 1 1 A 9 9 GLN C C 9 175.771 178.460 -2.689 1
1 98 . 17 1 1 A 9 9 GLN CA C 9 57.655 59.201 -1.546 1
1 99 . 17 1 1 A 9 9 GLN CB C 9 28.606 28.348 0.258 1
1 101 . 17 1 1 A 9 9 GLN N N 9 124.103 117.813 6.290 1
1 103 . 17 1 1 A 10 10 LYS H H 10 8.148 7.695 0.453 1
1 104 . 17 1 1 A 10 10 LYS HA H 10 4.204 4.069 0.135 1
1 113 . 17 1 1 A 10 10 LYS C C 10 177.798 178.716 -0.918 1
1 114 . 17 1 1 A 10 10 LYS CA C 10 57.139 58.456 -1.317 1
1 115 . 17 1 1 A 10 10 LYS CB C 10 33.040 31.904 1.136 1
1 119 . 17 1 1 A 10 10 LYS N N 10 120.635 119.313 1.322 1
1 120 . 17 1 1 A 11 11 ALA H H 11 8.148 7.999 0.149 1
1 121 . 17 1 1 A 11 11 ALA HA H 11 4.140 4.011 0.129 1
1 125 . 17 1 1 A 11 11 ALA C C 11 178.173 179.949 -1.776 1
1 126 . 17 1 1 A 11 11 ALA CA C 11 53.351 54.929 -1.578 1
1 127 . 17 1 1 A 11 11 ALA CB C 11 19.128 18.003 1.125 1
1 128 . 17 1 1 A 11 11 ALA N N 11 123.171 121.538 1.633 1
1 129 . 17 1 1 A 12 12 GLU H H 12 8.248 7.761 0.487 1
1 130 . 17 1 1 A 12 12 GLU HA H 12 4.222 3.920 0.302 1
1 135 . 17 1 1 A 12 12 GLU C C 12 176.385 179.135 -2.750 1
1 136 . 17 1 1 A 12 12 GLU CA C 12 57.442 59.369 -1.927 1
1 137 . 17 1 1 A 12 12 GLU CB C 12 30.001 29.062 0.939 1
1 139 . 17 1 1 A 12 12 GLU N N 12 119.451 118.570 0.881 1
1 140 . 17 1 1 A 13 13 GLU H H 13 8.372 7.927 0.445 1
1 141 . 17 1 1 A 13 13 GLU HA H 13 4.265 4.097 0.168 1
1 146 . 17 1 1 A 13 13 GLU C C 13 178.060 179.897 -1.837 1
1 147 . 17 1 1 A 13 13 GLU CA C 13 56.828 58.871 -2.043 1
1 148 . 17 1 1 A 13 13 GLU CB C 13 30.082 29.362 0.720 1
1 150 . 17 1 1 A 13 13 GLU N N 13 121.080 120.855 0.225 1
1 151 . 17 1 1 A 14 14 GLU H H 14 8.152 7.522 0.630 1
1 152 . 17 1 1 A 14 14 GLU HA H 14 4.142 4.135 0.007 1
1 157 . 17 1 1 A 14 14 GLU C C 14 176.274 178.502 -2.228 1
1 158 . 17 1 1 A 14 14 GLU CA C 14 56.892 58.969 -2.077 1
1 159 . 17 1 1 A 14 14 GLU CB C 14 28.169 29.499 -1.330 1
1 161 . 17 1 1 A 14 14 GLU N N 14 120.236 119.646 0.590 1
1 162 . 17 1 1 A 15 15 LEU H H 15 8.301 7.851 0.450 1
1 163 . 17 1 1 A 15 15 LEU HA H 15 4.224 3.956 0.268 1
1 173 . 17 1 1 A 15 15 LEU C C 15 177.983 178.454 -0.471 1
1 174 . 17 1 1 A 15 15 LEU CA C 15 56.344 57.985 -1.641 1
1 175 . 17 1 1 A 15 15 LEU CB C 15 42.250 41.323 0.927 1
1 179 . 17 1 1 A 15 15 LEU N N 15 123.072 121.329 1.743 1
1 180 . 17 1 1 A 16 16 GLN H H 16 8.132 7.455 0.677 1
1 181 . 17 1 1 A 16 16 GLN HA H 16 4.145 4.056 0.089 1
1 188 . 17 1 1 A 16 16 GLN C C 16 177.674 178.954 -1.280 1
1 189 . 17 1 1 A 16 16 GLN CA C 16 57.971 59.017 -1.046 1
1 190 . 17 1 1 A 16 16 GLN CB C 16 29.889 27.814 2.075 1
1 192 . 17 1 1 A 16 16 GLN N N 16 119.160 117.814 1.346 1
1 194 . 17 1 1 A 17 17 LYS H H 17 8.214 7.456 0.758 1
1 195 . 17 1 1 A 17 17 LYS HA H 17 4.140 4.135 0.005 1
1 204 . 17 1 1 A 17 17 LYS C C 17 177.646 179.187 -1.541 1
1 205 . 17 1 1 A 17 17 LYS CA C 17 57.115 58.996 -1.881 1
1 206 . 17 1 1 A 17 17 LYS CB C 17 32.833 32.487 0.346 1
1 210 . 17 1 1 A 17 17 LYS N N 17 120.310 121.347 -1.037 1
1 211 . 17 1 1 A 18 18 VAL H H 18 7.871 7.537 0.334 1
1 212 . 17 1 1 A 18 18 VAL HA H 18 4.108 3.817 0.291 1
1 220 . 17 1 1 A 18 18 VAL C C 18 177.476 178.190 -0.714 1
1 221 . 17 1 1 A 18 18 VAL CA C 18 63.634 65.813 -2.179 1
1 222 . 17 1 1 A 18 18 VAL CB C 18 31.886 31.266 0.620 1
1 225 . 17 1 1 A 18 18 VAL N N 18 120.571 118.207 2.364 1
1 226 . 17 1 1 A 19 19 LEU H H 19 8.180 7.793 0.387 1
1 227 . 17 1 1 A 19 19 LEU HA H 19 4.042 3.952 0.090 1
1 237 . 17 1 1 A 19 19 LEU C C 19 179.462 179.538 -0.076 1
1 238 . 17 1 1 A 19 19 LEU CA C 19 57.653 58.069 -0.416 1
1 239 . 17 1 1 A 19 19 LEU CB C 19 41.800 40.967 0.833 1
1 243 . 17 1 1 A 19 19 LEU N N 19 122.936 121.840 1.096 1
1 244 . 17 1 1 A 20 20 GLU H H 20 8.122 7.979 0.143 1
1 245 . 17 1 1 A 20 20 GLU HA H 20 4.156 4.153 0.003 1
1 250 . 17 1 1 A 20 20 GLU C C 20 178.001 179.587 -1.586 1
1 251 . 17 1 1 A 20 20 GLU CA C 20 58.045 59.396 -1.351 1
1 252 . 17 1 1 A 20 20 GLU CB C 20 30.092 29.138 0.954 1
1 254 . 17 1 1 A 20 20 GLU N N 20 118.745 118.641 0.104 1
1 255 . 17 1 1 A 21 21 GLU H H 21 8.190 7.642 0.548 1
1 256 . 17 1 1 A 21 21 GLU HA H 21 4.144 4.125 0.019 1
1 261 . 17 1 1 A 21 21 GLU C C 21 177.290 178.695 -1.405 1
1 262 . 17 1 1 A 21 21 GLU CA C 21 58.109 59.018 -0.909 1
1 263 . 17 1 1 A 21 21 GLU CB C 21 29.868 29.223 0.645 1
1 265 . 17 1 1 A 21 21 GLU N N 21 119.542 120.369 -0.827 1
1 266 . 17 1 1 A 22 22 ALA H H 22 8.092 8.622 -0.530 1
1 267 . 17 1 1 A 22 22 ALA HA H 22 4.173 4.168 0.005 1
1 271 . 17 1 1 A 22 22 ALA C C 22 179.020 180.173 -1.153 1
1 272 . 17 1 1 A 22 22 ALA CA C 22 53.944 55.181 -1.237 1
1 273 . 17 1 1 A 22 22 ALA CB C 22 18.578 18.074 0.504 1
1 274 . 17 1 1 A 22 22 ALA N N 22 123.378 122.035 1.343 1
1 275 . 17 1 1 A 23 23 SER H H 23 8.079 8.464 -0.385 1
1 276 . 17 1 1 A 23 23 SER HA H 23 4.300 4.307 -0.007 1
1 279 . 17 1 1 A 23 23 SER C C 23 173.125 176.775 -3.650 1
1 280 . 17 1 1 A 23 23 SER CA C 23 59.414 61.522 -2.108 1
1 281 . 17 1 1 A 23 23 SER CB C 23 63.520 62.611 0.909 1
1 282 . 17 1 1 A 23 23 SER N N 23 114.637 113.063 1.574 1
1 283 . 17 1 1 A 24 24 LYS H H 24 8.032 8.112 -0.080 1
1 284 . 17 1 1 A 24 24 LYS HA H 24 4.325 4.080 0.245 1
1 293 . 17 1 1 A 24 24 LYS C C 24 175.423 178.991 -3.568 1
1 294 . 17 1 1 A 24 24 LYS CA C 24 57.273 59.717 -2.444 1
1 295 . 17 1 1 A 24 24 LYS CB C 24 31.200 32.526 -1.326 1
1 299 . 17 1 1 A 24 24 LYS N N 24 122.635 121.693 0.942 1
1 300 . 17 1 1 A 25 25 LYS H H 25 8.042 7.644 0.398 1
1 301 . 17 1 1 A 25 25 LYS HA H 25 4.169 4.047 0.122 1
1 310 . 17 1 1 A 25 25 LYS C C 25 177.025 179.521 -2.496 1
1 311 . 17 1 1 A 25 25 LYS CA C 25 56.876 59.385 -2.509 1
1 312 . 17 1 1 A 25 25 LYS CB C 25 31.200 32.301 -1.101 1
1 316 . 17 1 1 A 25 25 LYS N N 25 121.079 119.353 1.726 1
1 317 . 17 1 1 A 26 26 ALA H H 26 8.103 8.227 -0.124 1
1 318 . 17 1 1 A 26 26 ALA HA H 26 4.196 3.970 0.226 1
1 322 . 17 1 1 A 26 26 ALA C C 26 178.418 180.082 -1.664 1
1 323 . 17 1 1 A 26 26 ALA CA C 26 53.049 54.986 -1.937 1
1 324 . 17 1 1 A 26 26 ALA CB C 26 19.055 18.516 0.539 1
1 325 . 17 1 1 A 26 26 ALA N N 26 124.589 122.348 2.241 1
1 326 . 17 1 1 A 27 27 VAL H H 27 8.030 7.494 0.536 1
1 327 . 17 1 1 A 27 27 VAL HA H 27 3.945 3.400 0.545 1
1 335 . 17 1 1 A 27 27 VAL C C 27 179.177 177.697 1.480 1
1 336 . 17 1 1 A 27 27 VAL CA C 27 63.001 66.766 -3.765 1
1 337 . 17 1 1 A 27 27 VAL CB C 27 32.449 31.323 1.126 1
1 340 . 17 1 1 A 27 27 VAL N N 27 119.340 117.676 1.664 1
1 341 . 17 1 1 A 28 28 GLU H H 28 8.187 8.050 0.137 1
1 342 . 17 1 1 A 28 28 GLU HA H 28 4.166 4.049 0.117 1
1 347 . 17 1 1 A 28 28 GLU C C 28 176.411 178.114 -1.703 1
1 348 . 17 1 1 A 28 28 GLU CA C 28 57.290 59.231 -1.941 1
1 349 . 17 1 1 A 28 28 GLU CB C 28 30.025 29.392 0.633 1
1 351 . 17 1 1 A 28 28 GLU N N 28 120.351 120.038 0.313 1
1 352 . 17 1 1 A 29 29 ALA H H 29 8.173 8.172 0.001 1
1 353 . 17 1 1 A 29 29 ALA HA H 29 4.230 4.333 -0.103 1
1 357 . 17 1 1 A 29 29 ALA C C 29 176.924 177.127 -0.203 1
1 358 . 17 1 1 A 29 29 ALA CA C 29 53.338 51.397 1.941 1
1 359 . 17 1 1 A 29 29 ALA CB C 29 18.964 17.310 1.654 1
1 360 . 17 1 1 A 29 29 ALA N N 29 124.463 120.040 4.423 1
1 361 . 17 1 1 A 30 30 GLU H H 30 8.239 8.313 -0.074 1
1 362 . 17 1 1 A 30 30 GLU HA H 30 4.251 4.505 -0.254 1
1 367 . 17 1 1 A 30 30 GLU C C 30 175.016 175.871 -0.855 1
1 368 . 17 1 1 A 30 30 GLU CA C 30 58.033 57.979 0.054 1
1 369 . 17 1 1 A 30 30 GLU CB C 30 29.996 31.822 -1.826 1
1 371 . 17 1 1 A 30 30 GLU N N 30 122.971 122.149 0.822 1
1 372 . 17 1 1 A 31 31 ARG H H 31 8.261 7.758 0.503 1
1 373 . 17 1 1 A 31 31 ARG HA H 31 4.255 4.063 0.192 1
1 385 . 17 1 1 A 31 31 ARG C C 31 176.727 177.049 -0.322 1
1 386 . 17 1 1 A 31 31 ARG CA C 31 56.565 57.870 -1.305 1
1 387 . 17 1 1 A 31 31 ARG CB C 31 30.783 29.379 1.404 1
1 390 . 17 1 1 A 31 31 ARG N N 31 121.894 118.345 3.549 1
1 392 . 17 1 1 A 32 32 GLY H H 32 8.302 8.516 -0.214 1
1 393 . 17 1 1 A 32 32 GLY HA2 H 32 3.852 3.953 -0.101 1
1 394 . 17 1 1 A 32 32 GLY HA3 H 32 3.852 3.954 -0.102 1
1 395 . 17 1 1 A 32 32 GLY C C 32 173.994 174.287 -0.293 1
1 396 . 17 1 1 A 32 32 GLY CA C 32 45.077 45.190 -0.113 1
1 397 . 17 1 1 A 32 32 GLY N N 32 109.773 112.814 -3.041 1
1 398 . 17 1 1 A 33 33 ALA H H 33 8.011 8.301 -0.290 1
1 399 . 17 1 1 A 33 33 ALA HA H 33 4.212 4.562 -0.350 1
1 403 . 17 1 1 A 33 33 ALA CA C 33 50.522 49.755 0.767 1
1 404 . 17 1 1 A 33 33 ALA CB C 33 18.962 20.013 -1.051 1
1 405 . 17 1 1 A 33 33 ALA N N 33 123.601 123.708 -0.107 1
1 406 . 17 1 1 A 34 34 PRO HA H 34 4.352 4.300 0.052 1
1 413 . 17 1 1 A 34 34 PRO C C 34 177.746 177.766 -0.020 1
1 414 . 17 1 1 A 34 34 PRO CA C 34 63.520 63.675 -0.155 1
1 415 . 17 1 1 A 34 34 PRO CB C 34 31.938 31.384 0.554 1
1 418 . 17 1 1 A 35 35 GLY H H 35 8.433 8.791 -0.358 1
1 419 . 17 1 1 A 35 35 GLY HA2 H 35 3.848 3.957 -0.109 1
1 420 . 17 1 1 A 35 35 GLY HA3 H 35 3.848 3.970 -0.122 1
1 421 . 17 1 1 A 35 35 GLY C C 35 173.266 174.377 -1.111 1
1 422 . 17 1 1 A 35 35 GLY CA C 35 45.405 46.099 -0.694 1
1 423 . 17 1 1 A 35 35 GLY N N 35 109.298 112.345 -3.047 1
1 424 . 17 1 1 A 36 36 ALA H H 36 8.095 7.907 0.188 1
1 425 . 17 1 1 A 36 36 ALA HA H 36 4.196 4.565 -0.369 1
1 429 . 17 1 1 A 36 36 ALA C C 36 177.944 176.286 1.658 1
1 430 . 17 1 1 A 36 36 ALA CA C 36 52.551 51.227 1.324 1
1 431 . 17 1 1 A 36 36 ALA CB C 36 19.485 20.692 -1.207 1
1 432 . 17 1 1 A 36 36 ALA N N 36 124.605 123.208 1.397 1
1 433 . 17 1 1 A 37 37 ALA H H 37 8.199 8.304 -0.105 1
1 434 . 17 1 1 A 37 37 ALA HA H 37 4.491 4.690 -0.199 1
1 438 . 17 1 1 A 37 37 ALA C C 37 177.456 176.421 1.035 1
1 439 . 17 1 1 A 37 37 ALA CA C 37 52.453 50.463 1.990 1
1 440 . 17 1 1 A 37 37 ALA CB C 37 19.060 22.075 -3.015 1
1 441 . 17 1 1 A 37 37 ALA N N 37 123.695 120.413 3.282 1
1 442 . 17 1 1 A 38 38 LEU H H 38 8.099 8.575 -0.476 1
1 443 . 17 1 1 A 38 38 LEU HA H 38 4.243 3.753 0.490 1
1 453 . 17 1 1 A 38 38 LEU C C 38 177.358 175.512 1.846 1
1 454 . 17 1 1 A 38 38 LEU CA C 38 55.218 55.535 -0.317 1
1 455 . 17 1 1 A 38 38 LEU CB C 38 42.228 40.241 1.987 1
1 459 . 17 1 1 A 38 38 LEU N N 38 121.531 119.863 1.668 1
1 460 . 17 1 1 A 39 39 ILE H H 39 7.966 7.833 0.133 1
1 461 . 17 1 1 A 39 39 ILE HA H 39 4.136 4.459 -0.323 1
1 471 . 17 1 1 A 39 39 ILE C C 39 175.586 174.628 0.958 1
1 472 . 17 1 1 A 39 39 ILE CA C 39 60.873 59.684 1.189 1
1 473 . 17 1 1 A 39 39 ILE CB C 39 38.727 41.139 -2.412 1
1 477 . 17 1 1 A 39 39 ILE N N 39 121.669 124.732 -3.063 1
1 478 . 17 1 1 A 40 40 SER H H 40 8.101 8.894 -0.793 1
1 479 . 17 1 1 A 40 40 SER HA H 40 4.347 4.215 0.132 1
1 482 . 17 1 1 A 40 40 SER C C 40 173.336 174.312 -0.976 1
1 483 . 17 1 1 A 40 40 SER CA C 40 57.331 58.653 -1.322 1
1 484 . 17 1 1 A 40 40 SER CB C 40 63.983 62.456 1.527 1
1 485 . 17 1 1 A 40 40 SER N N 40 119.591 123.934 -4.343 1
1 486 . 17 1 1 A 41 41 TYR H H 41 8.100 8.177 -0.077 1
1 487 . 17 1 1 A 41 41 TYR HA H 41 4.436 4.280 0.156 1
1 494 . 17 1 1 A 41 41 TYR CA C 41 56.067 61.506 -5.439 1
1 495 . 17 1 1 A 41 41 TYR CB C 41 38.244 37.855 0.389 1
1 496 . 17 1 1 A 41 41 TYR N N 41 122.744 127.382 -4.638 1
1 497 . 17 1 1 A 42 42 PRO HA H 42 4.281 4.567 -0.286 1
1 504 . 17 1 1 A 42 42 PRO C C 42 176.765 178.009 -1.244 1
1 505 . 17 1 1 A 42 42 PRO CA C 42 63.650 64.808 -1.158 1
1 506 . 17 1 1 A 42 42 PRO CB C 42 30.513 31.435 -0.922 1
1 509 . 17 1 1 A 43 43 ASP H H 43 8.305 8.236 0.069 1
1 510 . 17 1 1 A 43 43 ASP HA H 43 4.548 4.746 -0.198 1
1 513 . 17 1 1 A 43 43 ASP C C 43 175.135 177.999 -2.864 1
1 514 . 17 1 1 A 43 43 ASP CA C 43 53.570 56.926 -3.356 1
1 515 . 17 1 1 A 43 43 ASP CB C 43 38.450 41.869 -3.419 1
1 516 . 17 1 1 A 43 43 ASP N N 43 118.052 117.578 0.474 1
1 517 . 17 1 1 A 44 44 ALA H H 44 8.013 8.924 -0.911 1
1 518 . 17 1 1 A 44 44 ALA HA H 44 4.106 4.242 -0.136 1
1 522 . 17 1 1 A 44 44 ALA C C 44 177.969 179.926 -1.957 1
1 523 . 17 1 1 A 44 44 ALA CA C 44 52.867 55.272 -2.405 1
1 524 . 17 1 1 A 44 44 ALA CB C 44 19.023 18.530 0.493 1
1 525 . 17 1 1 A 44 44 ALA N N 44 123.344 122.043 1.301 1
1 526 . 17 1 1 A 45 45 ILE H H 45 7.860 8.306 -0.446 1
1 527 . 17 1 1 A 45 45 ILE HA H 45 3.855 3.966 -0.111 1
1 537 . 17 1 1 A 45 45 ILE C C 45 176.287 177.624 -1.337 1
1 538 . 17 1 1 A 45 45 ILE CA C 45 61.465 63.876 -2.411 1
1 539 . 17 1 1 A 45 45 ILE CB C 45 38.294 37.844 0.450 1
1 543 . 17 1 1 A 45 45 ILE N N 45 118.636 119.324 -0.688 1
1 544 . 17 1 1 A 46 46 TRP H H 46 7.646 7.935 -0.289 1
1 545 . 17 1 1 A 46 46 TRP HA H 46 4.504 4.449 0.055 1
1 554 . 17 1 1 A 46 46 TRP C C 46 176.136 178.647 -2.511 1
1 555 . 17 1 1 A 46 46 TRP CA C 46 57.139 59.971 -2.832 1
1 556 . 17 1 1 A 46 46 TRP CB C 46 28.880 29.458 -0.578 1
1 558 . 17 1 1 A 46 46 TRP N N 46 122.947 122.120 0.827 1
1 560 . 17 1 1 A 47 47 TRP H H 47 7.502 7.890 -0.388 1
1 561 . 17 1 1 A 47 47 TRP HA H 47 4.482 4.404 0.078 1
1 570 . 17 1 1 A 47 47 TRP C C 47 176.149 177.997 -1.848 1
1 571 . 17 1 1 A 47 47 TRP CA C 47 57.197 61.000 -3.803 1
1 572 . 17 1 1 A 47 47 TRP CB C 47 29.703 29.681 0.022 1
1 573 . 17 1 1 A 47 47 TRP N N 47 120.943 121.590 -0.647 1
1 575 . 17 1 1 A 48 48 SER H H 48 7.861 7.962 -0.101 1
1 576 . 17 1 1 A 48 48 SER HA H 48 4.258 4.138 0.120 1
1 579 . 17 1 1 A 48 48 SER C C 48 174.600 173.823 0.777 1
1 580 . 17 1 1 A 48 48 SER CA C 48 57.844 56.909 0.935 1
1 581 . 17 1 1 A 48 48 SER CB C 48 64.102 61.702 2.400 1
1 582 . 17 1 1 A 48 48 SER N N 48 116.339 114.362 1.977 1
1 583 . 17 1 1 A 49 49 VAL H H 49 7.921 8.162 -0.241 1
1 584 . 17 1 1 A 49 49 VAL HA H 49 3.990 4.235 -0.245 1
1 592 . 17 1 1 A 49 49 VAL C C 49 176.402 177.195 -0.793 1
1 593 . 17 1 1 A 49 49 VAL CA C 49 62.909 63.362 -0.453 1
1 594 . 17 1 1 A 49 49 VAL CB C 49 32.467 33.529 -1.062 1
1 597 . 17 1 1 A 49 49 VAL N N 49 121.079 124.572 -3.493 1
1 598 . 17 1 1 A 50 50 GLU H H 50 8.229 8.269 -0.040 1
1 599 . 17 1 1 A 50 50 GLU HA H 50 4.307 4.247 0.060 1
1 604 . 17 1 1 A 50 50 GLU C C 50 176.506 178.746 -2.240 1
1 605 . 17 1 1 A 50 50 GLU CA C 50 57.040 58.701 -1.661 1
1 606 . 17 1 1 A 50 50 GLU CB C 50 30.123 28.243 1.880 1
1 608 . 17 1 1 A 50 50 GLU N N 50 122.433 119.867 2.566 1
1 609 . 17 1 1 A 51 51 THR H H 51 7.993 7.734 0.259 1
1 610 . 17 1 1 A 51 51 THR HA H 51 4.248 3.787 0.461 1
1 615 . 17 1 1 A 51 51 THR C C 51 174.430 176.882 -2.452 1
1 616 . 17 1 1 A 51 51 THR CA C 51 62.227 65.403 -3.176 1
1 617 . 17 1 1 A 51 51 THR CB C 51 69.712 68.370 1.342 1
1 619 . 17 1 1 A 51 51 THR N N 51 114.413 114.913 -0.500 1
1 620 . 17 1 1 A 52 52 ALA H H 52 8.160 7.821 0.339 1
1 621 . 17 1 1 A 52 52 ALA HA H 52 4.212 4.233 -0.021 1
1 625 . 17 1 1 A 52 52 ALA C C 52 177.976 178.833 -0.857 1
1 626 . 17 1 1 A 52 52 ALA CA C 52 53.069 54.117 -1.048 1
1 627 . 17 1 1 A 52 52 ALA CB C 52 19.178 18.261 0.917 1
1 628 . 17 1 1 A 52 52 ALA N N 52 125.641 123.335 2.306 1
1 629 . 17 1 1 A 53 53 THR H H 53 8.022 7.187 0.835 1
1 630 . 17 1 1 A 53 53 THR HA H 53 4.231 4.391 -0.160 1
1 635 . 17 1 1 A 53 53 THR C C 53 174.750 174.716 0.034 1
1 636 . 17 1 1 A 53 53 THR CA C 53 62.231 61.633 0.598 1
1 637 . 17 1 1 A 53 53 THR CB C 53 69.726 68.733 0.993 1
1 639 . 17 1 1 A 53 53 THR N N 53 112.100 108.138 3.962 1
1 640 . 17 1 1 A 54 54 THR H H 54 7.999 7.837 0.162 1
1 641 . 17 1 1 A 54 54 THR HA H 54 4.303 4.009 0.294 1
1 646 . 17 1 1 A 54 54 THR C C 54 174.592 174.833 -0.241 1
1 647 . 17 1 1 A 54 54 THR CA C 54 62.002 63.003 -1.001 1
1 648 . 17 1 1 A 54 54 THR CB C 54 69.793 67.340 2.453 1
1 650 . 17 1 1 A 54 54 THR N N 54 116.238 115.532 0.706 1
1 651 . 17 1 1 A 55 55 VAL H H 55 8.098 7.652 0.446 1
1 652 . 17 1 1 A 55 55 VAL HA H 55 4.017 4.335 -0.318 1
1 660 . 17 1 1 A 55 55 VAL C C 55 176.453 176.877 -0.424 1
1 661 . 17 1 1 A 55 55 VAL CA C 55 62.650 62.733 -0.083 1
1 662 . 17 1 1 A 55 55 VAL CB C 55 32.524 32.033 0.491 1
1 665 . 17 1 1 A 55 55 VAL N N 55 122.445 117.761 4.684 1
1 666 . 17 1 1 A 56 56 GLY H H 56 8.308 7.982 0.326 1
1 667 . 17 1 1 A 56 56 GLY HA2 H 56 3.839 4.080 -0.241 1
1 668 . 17 1 1 A 56 56 GLY HA3 H 56 4.019 4.080 -0.061 1
1 669 . 17 1 1 A 56 56 GLY C C 56 173.958 174.917 -0.959 1
1 670 . 17 1 1 A 56 56 GLY CA C 56 45.216 46.082 -0.866 1
1 671 . 17 1 1 A 56 56 GLY N N 56 112.118 110.093 2.025 1
1 672 . 17 1 1 A 57 57 TYR H H 57 8.051 8.566 -0.515 1
1 673 . 17 1 1 A 57 57 TYR HA H 57 4.402 4.280 0.122 1
1 680 . 17 1 1 A 57 57 TYR C C 57 176.557 175.986 0.571 1
1 681 . 17 1 1 A 57 57 TYR CA C 57 58.251 61.062 -2.811 1
1 682 . 17 1 1 A 57 57 TYR CB C 57 38.935 39.537 -0.602 1
1 683 . 17 1 1 A 57 57 TYR N N 57 120.259 120.910 -0.651 1
1 684 . 17 1 1 A 58 58 GLY H H 58 8.335 7.748 0.587 1
1 685 . 17 1 1 A 58 58 GLY HA2 H 58 3.801 4.094 -0.293 1
1 686 . 17 1 1 A 58 58 GLY HA3 H 58 3.801 4.173 -0.372 1
1 687 . 17 1 1 A 58 58 GLY C C 58 173.911 175.082 -1.171 1
1 688 . 17 1 1 A 58 58 GLY CA C 58 45.311 45.821 -0.510 1
1 689 . 17 1 1 A 58 58 GLY N N 58 110.220 107.111 3.109 1
1 690 . 17 1 1 A 59 59 ASP H H 59 8.161 7.932 0.229 1
1 691 . 17 1 1 A 59 59 ASP HA H 59 4.581 4.633 -0.052 1
1 694 . 17 1 1 A 59 59 ASP C C 59 175.189 175.768 -0.579 1
1 695 . 17 1 1 A 59 59 ASP CA C 59 53.570 55.717 -2.147 1
1 696 . 17 1 1 A 59 59 ASP CB C 59 38.750 41.402 -2.652 1
1 697 . 17 1 1 A 59 59 ASP N N 59 118.765 119.828 -1.063 1
1 698 . 17 1 1 A 60 60 ARG H H 60 8.086 7.902 0.184 1
1 699 . 17 1 1 A 60 60 ARG HA H 60 4.152 5.032 -0.880 1
1 711 . 17 1 1 A 60 60 ARG C C 60 176.603 174.147 2.456 1
1 712 . 17 1 1 A 60 60 ARG CA C 60 56.825 54.099 2.726 1
1 713 . 17 1 1 A 60 60 ARG CB C 60 30.935 34.680 -3.745 1
1 716 . 17 1 1 A 60 60 ARG N N 60 120.762 118.126 2.636 1
1 718 . 17 1 1 A 61 61 TYR H H 61 8.117 8.593 -0.476 1
1 719 . 17 1 1 A 61 61 TYR HA H 61 4.488 5.286 -0.798 1
1 726 . 17 1 1 A 61 61 TYR CA C 61 56.688 55.836 0.852 1
1 727 . 17 1 1 A 61 61 TYR CB C 61 39.582 40.744 -1.162 1
1 728 . 17 1 1 A 61 61 TYR N N 61 121.714 118.322 3.392 1
1 729 . 17 1 1 A 62 62 PRO HA H 62 4.383 4.451 -0.068 1
1 736 . 17 1 1 A 62 62 PRO C C 62 177.441 175.986 1.455 1
1 737 . 17 1 1 A 62 62 PRO CA C 62 63.212 62.139 1.073 1
1 738 . 17 1 1 A 62 62 PRO CB C 62 31.939 33.213 -1.274 1
1 741 . 17 1 1 A 63 63 VAL H H 63 8.217 8.228 -0.011 1
1 742 . 17 1 1 A 63 63 VAL HA H 63 4.164 4.277 -0.113 1
1 750 . 17 1 1 A 63 63 VAL C C 63 176.576 175.159 1.417 1
1 751 . 17 1 1 A 63 63 VAL CA C 63 62.382 61.115 1.267 1
1 752 . 17 1 1 A 63 63 VAL CB C 63 32.862 32.785 0.077 1
1 755 . 17 1 1 A 63 63 VAL N N 63 120.316 120.566 -0.250 1
1 756 . 17 1 1 A 64 64 THR H H 64 8.084 8.111 -0.027 1
1 757 . 17 1 1 A 64 64 THR HA H 64 4.313 4.570 -0.257 1
1 762 . 17 1 1 A 64 64 THR C C 64 174.558 175.020 -0.462 1
1 763 . 17 1 1 A 64 64 THR CA C 64 62.606 63.232 -0.626 1
1 764 . 17 1 1 A 64 64 THR CB C 64 70.496 70.400 0.096 1
1 766 . 17 1 1 A 64 64 THR N N 64 116.779 118.014 -1.235 1
1 767 . 17 1 1 A 65 65 GLU H H 65 8.404 7.933 0.471 1
1 768 . 17 1 1 A 65 65 GLU HA H 65 4.314 4.137 0.177 1
1 773 . 17 1 1 A 65 65 GLU C C 65 175.016 177.927 -2.911 1
1 774 . 17 1 1 A 65 65 GLU CA C 65 57.750 57.783 -0.033 1
1 775 . 17 1 1 A 65 65 GLU CB C 65 30.083 29.469 0.614 1
1 777 . 17 1 1 A 65 65 GLU N N 65 122.323 120.689 1.634 1
1 778 . 17 1 1 A 66 66 GLU H H 66 8.397 7.922 0.475 1
1 779 . 17 1 1 A 66 66 GLU HA H 66 4.224 4.238 -0.014 1
1 784 . 17 1 1 A 66 66 GLU C C 66 176.855 176.697 0.158 1
1 785 . 17 1 1 A 66 66 GLU CA C 66 58.023 55.976 2.047 1
1 786 . 17 1 1 A 66 66 GLU CB C 66 29.857 30.294 -0.437 1
1 788 . 17 1 1 A 66 66 GLU N N 66 122.201 116.155 6.046 1
1 789 . 17 1 1 A 67 67 GLY H H 67 8.376 7.813 0.563 1
1 790 . 17 1 1 A 67 67 GLY HA2 H 67 3.834 4.004 -0.170 1
1 791 . 17 1 1 A 67 67 GLY HA3 H 67 3.834 4.006 -0.172 1
1 792 . 17 1 1 A 67 67 GLY C C 67 173.071 175.315 -2.244 1
1 793 . 17 1 1 A 67 67 GLY CA C 67 45.871 46.169 -0.298 1
1 794 . 17 1 1 A 67 67 GLY N N 67 109.499 108.132 1.367 1
1 795 . 17 1 1 A 68 68 ARG H H 68 8.011 8.261 -0.250 1
1 796 . 17 1 1 A 68 68 ARG HA H 68 4.482 4.225 0.257 1
1 808 . 17 1 1 A 68 68 ARG C C 68 177.494 178.139 -0.645 1
1 809 . 17 1 1 A 68 68 ARG CA C 68 57.574 59.202 -1.628 1
1 810 . 17 1 1 A 68 68 ARG CB C 68 30.325 30.130 0.195 1
1 813 . 17 1 1 A 68 68 ARG N N 68 122.501 120.906 1.595 1
1 815 . 17 1 1 A 69 69 LYS H H 69 7.986 8.459 -0.473 1
1 816 . 17 1 1 A 69 69 LYS HA H 69 4.150 4.059 0.091 1
1 825 . 17 1 1 A 69 69 LYS C C 69 178.168 179.246 -1.078 1
1 826 . 17 1 1 A 69 69 LYS CA C 69 57.781 58.386 -0.605 1
1 827 . 17 1 1 A 69 69 LYS CB C 69 32.705 32.108 0.597 1
1 831 . 17 1 1 A 69 69 LYS N N 69 120.934 118.157 2.777 1
1 832 . 17 1 1 A 70 70 VAL H H 70 7.848 8.221 -0.373 1
1 833 . 17 1 1 A 70 70 VAL HA H 70 4.088 3.639 0.449 1
1 841 . 17 1 1 A 70 70 VAL C C 70 175.998 177.776 -1.778 1
1 842 . 17 1 1 A 70 70 VAL CA C 70 64.206 66.356 -2.150 1
1 843 . 17 1 1 A 70 70 VAL CB C 70 31.873 31.849 0.024 1
1 846 . 17 1 1 A 70 70 VAL N N 70 120.324 119.911 0.413 1
1 847 . 17 1 1 A 71 71 ALA H H 71 8.300 8.199 0.101 1
1 848 . 17 1 1 A 71 71 ALA HA H 71 4.221 4.282 -0.061 1
1 852 . 17 1 1 A 71 71 ALA C C 71 178.225 179.405 -1.180 1
1 853 . 17 1 1 A 71 71 ALA CA C 71 53.106 55.623 -2.517 1
1 854 . 17 1 1 A 71 71 ALA CB C 71 19.128 18.232 0.896 1
1 855 . 17 1 1 A 71 71 ALA N N 71 127.025 121.822 5.203 1
1 856 . 17 1 1 A 72 72 GLU H H 72 8.181 8.712 -0.531 1
1 857 . 17 1 1 A 72 72 GLU HA H 72 4.219 4.137 0.082 1
1 862 . 17 1 1 A 72 72 GLU C C 72 176.779 178.484 -1.705 1
1 863 . 17 1 1 A 72 72 GLU CA C 72 56.776 59.360 -2.584 1
1 864 . 17 1 1 A 72 72 GLU CB C 72 28.610 29.116 -0.506 1
1 866 . 17 1 1 A 72 72 GLU N N 72 123.008 118.519 4.489 1
1 867 . 17 1 1 A 73 73 GLN H H 73 8.132 7.903 0.229 1
1 868 . 17 1 1 A 73 73 GLN HA H 73 4.141 4.135 0.006 1
1 875 . 17 1 1 A 73 73 GLN C C 73 175.803 178.380 -2.577 1
1 876 . 17 1 1 A 73 73 GLN CA C 73 56.456 58.547 -2.091 1
1 877 . 17 1 1 A 73 73 GLN CB C 73 28.290 28.096 0.194 1
1 879 . 17 1 1 A 73 73 GLN N N 73 120.564 120.327 0.237 1
1 881 . 17 1 1 A 74 74 VAL H H 74 8.088 7.609 0.479 1
1 882 . 17 1 1 A 74 74 VAL HA H 74 3.986 3.563 0.423 1
1 890 . 17 1 1 A 74 74 VAL C C 74 176.167 177.889 -1.722 1
1 891 . 17 1 1 A 74 74 VAL CA C 74 63.123 66.377 -3.254 1
1 892 . 17 1 1 A 74 74 VAL CB C 74 30.082 31.503 -1.421 1
1 895 . 17 1 1 A 74 74 VAL N N 74 121.828 119.898 1.930 1
1 896 . 17 1 1 A 75 75 MET H H 75 8.167 7.719 0.448 1
1 897 . 17 1 1 A 75 75 MET HA H 75 4.093 4.241 -0.148 1
1 903 . 17 1 1 A 75 75 MET C C 75 176.455 178.313 -1.858 1
1 904 . 17 1 1 A 75 75 MET N N 75 123.990 117.561 6.429 1
1 905 . 17 1 1 A 76 76 LYS H H 76 8.287 7.690 0.597 1
1 906 . 17 1 1 A 76 76 LYS HA H 76 4.234 4.116 0.118 1
1 915 . 17 1 1 A 76 76 LYS C C 76 176.220 178.846 -2.626 1
1 916 . 17 1 1 A 76 76 LYS CA C 76 56.765 58.732 -1.967 1
1 917 . 17 1 1 A 76 76 LYS CB C 76 33.055 32.182 0.873 1
1 921 . 17 1 1 A 76 76 LYS N N 76 122.725 120.201 2.524 1
1 922 . 17 1 1 A 77 77 ALA H H 77 8.308 8.093 0.215 1
1 923 . 17 1 1 A 77 77 ALA HA H 77 4.213 4.083 0.130 1
1 927 . 17 1 1 A 77 77 ALA C C 77 178.097 179.883 -1.786 1
1 928 . 17 1 1 A 77 77 ALA CA C 77 52.740 54.822 -2.082 1
1 929 . 17 1 1 A 77 77 ALA CB C 77 19.427 18.076 1.351 1
1 930 . 17 1 1 A 77 77 ALA N N 77 125.316 121.731 3.585 1
1 931 . 17 1 1 A 78 78 GLY H H 78 8.284 8.168 0.116 1
1 932 . 17 1 1 A 78 78 GLY HA2 H 78 3.873 3.725 0.148 1
1 933 . 17 1 1 A 78 78 GLY HA3 H 78 3.873 3.884 -0.011 1
1 934 . 17 1 1 A 78 78 GLY C C 78 174.065 175.445 -1.380 1
1 935 . 17 1 1 A 78 78 GLY CA C 78 45.497 47.108 -1.611 1
1 936 . 17 1 1 A 78 78 GLY N N 78 107.778 106.032 1.746 1
1 937 . 17 1 1 A 79 79 ILE H H 79 7.882 8.056 -0.174 1
1 938 . 17 1 1 A 79 79 ILE HA H 79 4.119 3.958 0.161 1
1 948 . 17 1 1 A 79 79 ILE C C 79 176.160 178.204 -2.044 1
1 949 . 17 1 1 A 79 79 ILE CA C 79 61.436 64.223 -2.787 1
1 950 . 17 1 1 A 79 79 ILE CB C 79 38.904 37.364 1.540 1
1 954 . 17 1 1 A 79 79 ILE N N 79 119.794 122.784 -2.990 1
1 955 . 17 1 1 A 80 80 GLU H H 80 8.354 7.894 0.460 1
1 956 . 17 1 1 A 80 80 GLU HA H 80 4.282 4.001 0.281 1
1 961 . 17 1 1 A 80 80 GLU C C 80 176.174 179.591 -3.417 1
1 962 . 17 1 1 A 80 80 GLU CA C 80 57.178 59.225 -2.047 1
1 963 . 17 1 1 A 80 80 GLU CB C 80 30.019 29.382 0.637 1
1 965 . 17 1 1 A 80 80 GLU N N 80 124.311 119.860 4.451 1
1 966 . 17 1 1 A 81 81 VAL H H 81 8.205 7.682 0.523 1
1 967 . 17 1 1 A 81 81 VAL HA H 81 3.985 3.478 0.507 1
1 975 . 17 1 1 A 81 81 VAL C C 81 175.815 178.212 -2.397 1
1 976 . 17 1 1 A 81 81 VAL CA C 81 62.865 66.115 -3.250 1
1 977 . 17 1 1 A 81 81 VAL CB C 81 32.629 31.519 1.110 1
1 980 . 17 1 1 A 81 81 VAL N N 81 121.106 120.815 0.291 1
1 981 . 17 1 1 A 82 82 PHE H H 82 8.252 8.168 0.084 1
1 982 . 17 1 1 A 82 82 PHE HA H 82 4.551 4.288 0.263 1
1 990 . 17 1 1 A 82 82 PHE C C 82 175.631 177.742 -2.111 1
1 991 . 17 1 1 A 82 82 PHE CA C 82 58.206 61.255 -3.049 1
1 992 . 17 1 1 A 82 82 PHE CB C 82 39.431 37.766 1.665 1
1 993 . 17 1 1 A 82 82 PHE N N 82 123.622 118.247 5.375 1
1 994 . 17 1 1 A 83 83 ALA H H 83 8.184 7.724 0.460 1
1 995 . 17 1 1 A 83 83 ALA HA H 83 4.230 4.144 0.086 1
1 999 . 17 1 1 A 83 83 ALA C C 83 178.025 179.644 -1.619 1
1 1000 . 17 1 1 A 83 83 ALA CA C 83 52.731 54.973 -2.242 1
1 1001 . 17 1 1 A 83 83 ALA CB C 83 19.359 18.662 0.697 1
1 1002 . 17 1 1 A 83 83 ALA N N 83 125.081 122.434 2.647 1
1 1003 . 17 1 1 A 84 84 LEU H H 84 8.104 8.022 0.082 1
1 1004 . 17 1 1 A 84 84 LEU HA H 84 4.167 4.105 0.062 1
1 1014 . 17 1 1 A 84 84 LEU C C 84 176.390 178.663 -2.273 1
1 1015 . 17 1 1 A 84 84 LEU CA C 84 55.786 57.663 -1.877 1
1 1016 . 17 1 1 A 84 84 LEU CB C 84 42.179 41.525 0.654 1
1 1020 . 17 1 1 A 84 84 LEU N N 84 119.064 119.890 -0.826 1
1 1021 . 17 1 1 A 85 85 VAL H H 85 8.155 7.563 0.592 1
1 1022 . 17 1 1 A 85 85 VAL HA H 85 4.073 4.008 0.065 1
1 1030 . 17 1 1 A 85 85 VAL C C 85 176.521 177.646 -1.125 1
1 1031 . 17 1 1 A 85 85 VAL CA C 85 62.762 64.733 -1.971 1
1 1032 . 17 1 1 A 85 85 VAL CB C 85 32.498 31.476 1.022 1
1 1035 . 17 1 1 A 85 85 VAL N N 85 121.743 114.691 7.052 1
1 1036 . 17 1 1 A 86 86 THR H H 86 8.052 7.919 0.133 1
1 1037 . 17 1 1 A 86 86 THR HA H 86 4.141 4.027 0.114 1
1 1042 . 17 1 1 A 86 86 THR C C 86 174.706 176.434 -1.728 1
1 1043 . 17 1 1 A 86 86 THR CA C 86 62.351 66.084 -3.733 1
1 1044 . 17 1 1 A 86 86 THR CB C 86 69.618 68.400 1.218 1
1 1046 . 17 1 1 A 86 86 THR N N 86 117.693 116.408 1.285 1
1 1047 . 17 1 1 A 87 87 ALA H H 87 8.216 8.299 -0.083 1
1 1048 . 17 1 1 A 87 87 ALA HA H 87 4.170 4.008 0.162 1
1 1052 . 17 1 1 A 87 87 ALA C C 87 178.003 179.265 -1.262 1
1 1053 . 17 1 1 A 87 87 ALA CA C 87 52.967 54.696 -1.729 1
1 1054 . 17 1 1 A 87 87 ALA CB C 87 18.326 18.154 0.172 1
1 1055 . 17 1 1 A 87 87 ALA N N 87 126.174 123.695 2.479 1
1 1056 . 17 1 1 A 88 88 ALA H H 88 8.129 7.952 0.177 1
1 1057 . 17 1 1 A 88 88 ALA HA H 88 4.147 4.005 0.142 1
1 1061 . 17 1 1 A 88 88 ALA C C 88 178.246 179.611 -1.365 1
1 1062 . 17 1 1 A 88 88 ALA CA C 88 52.961 54.590 -1.629 1
1 1063 . 17 1 1 A 88 88 ALA CB C 88 19.290 18.979 0.311 1
1 1064 . 17 1 1 A 88 88 ALA N N 88 122.649 119.782 2.867 1
1 1065 . 17 1 1 A 89 89 LEU H H 89 7.992 7.763 0.229 1
1 1066 . 17 1 1 A 89 89 LEU HA H 89 4.153 3.947 0.206 1
1 1076 . 17 1 1 A 89 89 LEU C C 89 176.375 178.141 -1.766 1
1 1077 . 17 1 1 A 89 89 LEU CA C 89 57.099 57.948 -0.849 1
1 1078 . 17 1 1 A 89 89 LEU CB C 89 42.055 41.549 0.506 1
1 1082 . 17 1 1 A 89 89 LEU N N 89 120.616 118.817 1.799 1
1 1083 . 17 1 1 A 90 90 ALA H H 90 8.168 8.136 0.032 1
1 1084 . 17 1 1 A 90 90 ALA HA H 90 4.218 4.331 -0.113 1
1 1088 . 17 1 1 A 90 90 ALA C C 90 178.487 178.568 -0.081 1
1 1089 . 17 1 1 A 90 90 ALA CA C 90 53.043 54.031 -0.988 1
1 1090 . 17 1 1 A 90 90 ALA CB C 90 19.269 18.485 0.784 1
1 1091 . 17 1 1 A 90 90 ALA N N 90 124.243 121.230 3.013 1
1 1092 . 17 1 1 A 91 91 THR H H 91 7.988 7.718 0.270 1
1 1093 . 17 1 1 A 91 91 THR HA H 91 4.181 4.013 0.168 1
1 1098 . 17 1 1 A 91 91 THR C C 91 174.931 176.368 -1.437 1
1 1099 . 17 1 1 A 91 91 THR CA C 91 62.190 63.961 -1.771 1
1 1100 . 17 1 1 A 91 91 THR CB C 91 69.198 68.448 0.750 1
1 1102 . 17 1 1 A 91 91 THR N N 91 112.659 111.254 1.405 1
1 1103 . 17 1 1 A 92 92 ASP H H 92 8.254 8.196 0.058 1
1 1104 . 17 1 1 A 92 92 ASP HA H 92 4.541 4.402 0.139 1
1 1107 . 17 1 1 A 92 92 ASP C C 92 175.823 178.177 -2.354 1
1 1108 . 17 1 1 A 92 92 ASP CA C 92 53.570 56.474 -2.904 1
1 1109 . 17 1 1 A 92 92 ASP CB C 92 38.750 40.794 -2.044 1
1 1110 . 17 1 1 A 92 92 ASP N N 92 120.688 122.100 -1.412 1
1 1111 . 17 1 1 A 93 93 PHE H H 93 8.048 8.207 -0.159 1
1 1112 . 17 1 1 A 93 93 PHE HA H 93 4.547 4.407 0.140 1
1 1120 . 17 1 1 A 93 93 PHE C C 93 176.384 177.783 -1.399 1
1 1121 . 17 1 1 A 93 93 PHE CA C 93 58.633 59.755 -1.122 1
1 1122 . 17 1 1 A 93 93 PHE CB C 93 39.451 37.955 1.496 1
1 1123 . 17 1 1 A 93 93 PHE N N 93 120.763 117.778 2.985 1
1 1124 . 17 1 1 A 94 94 VAL H H 94 7.904 7.546 0.358 1
1 1125 . 17 1 1 A 94 94 VAL HA H 94 4.364 3.079 1.285 1
1 1133 . 17 1 1 A 94 94 VAL C C 94 176.851 178.208 -1.357 1
1 1134 . 17 1 1 A 94 94 VAL CA C 94 63.297 65.843 -2.546 1
1 1135 . 17 1 1 A 94 94 VAL CB C 94 29.241 30.958 -1.717 1
1 1138 . 17 1 1 A 94 94 VAL N N 94 121.478 120.775 0.703 1
1 1139 . 17 1 1 A 95 95 ARG H H 95 8.146 7.813 0.333 1
1 1140 . 17 1 1 A 95 95 ARG HA H 95 4.134 4.219 -0.085 1
1 1152 . 17 1 1 A 95 95 ARG C C 95 177.395 178.762 -1.367 1
1 1153 . 17 1 1 A 95 95 ARG CA C 95 55.978 58.531 -2.553 1
1 1154 . 17 1 1 A 95 95 ARG CB C 95 31.070 29.902 1.168 1
1 1157 . 17 1 1 A 95 95 ARG N N 95 122.920 119.329 3.591 1
1 1159 . 17 1 1 A 96 96 ARG H H 96 8.313 8.503 -0.190 1
1 1160 . 17 1 1 A 96 96 ARG HA H 96 4.180 4.121 0.059 1
1 1172 . 17 1 1 A 96 96 ARG C C 96 176.839 178.691 -1.852 1
1 1173 . 17 1 1 A 96 96 ARG CA C 96 56.831 58.406 -1.575 1
1 1174 . 17 1 1 A 96 96 ARG CB C 96 30.952 29.281 1.671 1
1 1177 . 17 1 1 A 96 96 ARG N N 96 121.064 118.410 2.654 1
1 1179 . 17 1 1 A 97 97 GLU H H 97 8.356 7.981 0.375 1
1 1180 . 17 1 1 A 97 97 GLU HA H 97 4.220 4.100 0.120 1
1 1185 . 17 1 1 A 97 97 GLU C C 97 176.319 178.951 -2.632 1
1 1186 . 17 1 1 A 97 97 GLU CA C 97 57.408 59.160 -1.752 1
1 1187 . 17 1 1 A 97 97 GLU CB C 97 28.610 29.288 -0.678 1
1 1189 . 17 1 1 A 97 97 GLU N N 97 121.754 120.162 1.592 1
1 1190 . 17 1 1 A 98 98 GLU H H 98 8.328 8.225 0.103 1
1 1191 . 17 1 1 A 98 98 GLU HA H 98 4.240 4.105 0.135 1
1 1196 . 17 1 1 A 98 98 GLU C C 98 176.132 179.207 -3.075 1
1 1197 . 17 1 1 A 98 98 GLU CA C 98 57.666 59.199 -1.533 1
1 1198 . 17 1 1 A 98 98 GLU CB C 98 30.045 29.152 0.893 1
1 1200 . 17 1 1 A 98 98 GLU N N 98 121.414 118.863 2.551 1
1 1201 . 17 1 1 A 99 99 GLU H H 99 8.418 8.416 0.002 1
1 1202 . 17 1 1 A 99 99 GLU HA H 99 4.299 4.093 0.206 1
1 1207 . 17 1 1 A 99 99 GLU C C 99 177.021 179.036 -2.015 1
1 1208 . 17 1 1 A 99 99 GLU CA C 99 57.397 59.102 -1.705 1
1 1209 . 17 1 1 A 99 99 GLU CB C 99 30.309 29.280 1.029 1
1 1211 . 17 1 1 A 99 99 GLU N N 99 121.312 120.011 1.301 1
1 1212 . 17 1 1 A 100 100 ARG H H 100 8.013 8.397 -0.384 1
1 1213 . 17 1 1 A 100 100 ARG HA H 100 4.180 4.090 0.090 1
1 1225 . 17 1 1 A 100 100 ARG C C 100 176.313 178.915 -2.602 1
1 1226 . 17 1 1 A 100 100 ARG CA C 100 57.238 59.182 -1.944 1
1 1227 . 17 1 1 A 100 100 ARG CB C 100 30.298 30.061 0.237 1
1 1230 . 17 1 1 A 100 100 ARG N N 100 121.871 120.386 1.485 1
1 1232 . 17 1 1 A 101 101 ARG H H 101 8.260 7.601 0.659 1
1 1233 . 17 1 1 A 101 101 ARG HA H 101 4.260 4.325 -0.065 1
1 1245 . 17 1 1 A 101 101 ARG C C 101 176.753 177.118 -0.365 1
1 1246 . 17 1 1 A 101 101 ARG CA C 101 56.492 56.160 0.332 1
1 1247 . 17 1 1 A 101 101 ARG CB C 101 30.838 30.778 0.060 1
1 1250 . 17 1 1 A 101 101 ARG N N 101 122.019 115.665 6.354 1
1 1252 . 17 1 1 A 102 102 GLY H H 102 8.380 8.849 -0.469 1
1 1253 . 17 1 1 A 102 102 GLY HA2 H 102 3.849 3.892 -0.043 1
1 1254 . 17 1 1 A 102 102 GLY HA3 H 102 3.849 3.915 -0.066 1
1 1255 . 17 1 1 A 102 102 GLY C C 102 173.145 173.307 -0.162 1
1 1256 . 17 1 1 A 102 102 GLY CA C 102 45.401 46.088 -0.687 1
1 1257 . 17 1 1 A 102 102 GLY N N 102 110.110 108.749 1.361 1
1 9 . 18 1 1 A 2 2 ALA H H 2 8.742 7.833 0.909 1
1 10 . 18 1 1 A 2 2 ALA HA H 2 4.302 4.218 0.084 1
1 14 . 18 1 1 A 2 2 ALA C C 2 177.216 176.984 0.232 1
1 15 . 18 1 1 A 2 2 ALA CA C 2 52.876 54.386 -1.510 1
1 16 . 18 1 1 A 2 2 ALA CB C 2 19.182 19.128 0.054 1
1 17 . 18 1 1 A 2 2 ALA N N 2 124.657 123.210 1.447 1
1 18 . 18 1 1 A 3 3 ASP H H 3 8.432 7.607 0.825 1
1 19 . 18 1 1 A 3 3 ASP HA H 3 4.530 4.695 -0.165 1
1 22 . 18 1 1 A 3 3 ASP C C 3 176.023 175.604 0.419 1
1 23 . 18 1 1 A 3 3 ASP CA C 3 53.721 53.791 -0.070 1
1 24 . 18 1 1 A 3 3 ASP CB C 3 38.752 41.539 -2.787 1
1 25 . 18 1 1 A 3 3 ASP N N 3 118.729 114.387 4.342 1
1 26 . 18 1 1 A 4 4 HIS H H 4 8.549 8.722 -0.173 1
1 27 . 18 1 1 A 4 4 HIS HA H 4 4.568 4.319 0.249 1
1 32 . 18 1 1 A 4 4 HIS C C 4 175.101 177.667 -2.566 1
1 33 . 18 1 1 A 4 4 HIS CA C 4 56.640 59.389 -2.749 1
1 34 . 18 1 1 A 4 4 HIS CB C 4 28.961 28.977 -0.016 1
1 37 . 18 1 1 A 4 4 HIS N N 4 119.650 119.901 -0.251 1
1 38 . 18 1 1 A 5 5 GLU H H 5 8.330 8.118 0.212 1
1 39 . 18 1 1 A 5 5 GLU HA H 5 4.207 3.947 0.260 1
1 44 . 18 1 1 A 5 5 GLU C C 5 175.749 179.467 -3.718 1
1 45 . 18 1 1 A 5 5 GLU CA C 5 56.594 60.263 -3.669 1
1 46 . 18 1 1 A 5 5 GLU CB C 5 29.285 29.006 0.279 1
1 48 . 18 1 1 A 5 5 GLU N N 5 120.937 121.601 -0.664 1
1 49 . 18 1 1 A 6 6 ARG H H 6 8.325 7.708 0.617 1
1 50 . 18 1 1 A 6 6 ARG HA H 6 4.571 4.174 0.397 1
1 62 . 18 1 1 A 6 6 ARG C C 6 177.578 178.921 -1.343 1
1 63 . 18 1 1 A 6 6 ARG CA C 6 56.716 58.978 -2.262 1
1 64 . 18 1 1 A 6 6 ARG CB C 6 30.744 29.596 1.148 1
1 67 . 18 1 1 A 6 6 ARG N N 6 120.267 120.383 -0.116 1
1 69 . 18 1 1 A 7 7 GLU H H 7 8.136 7.697 0.439 1
1 70 . 18 1 1 A 7 7 GLU HA H 7 4.165 4.109 0.056 1
1 75 . 18 1 1 A 7 7 GLU C C 7 177.156 178.619 -1.463 1
1 76 . 18 1 1 A 7 7 GLU CA C 7 57.125 58.943 -1.818 1
1 77 . 18 1 1 A 7 7 GLU CB C 7 30.149 29.076 1.073 1
1 79 . 18 1 1 A 7 7 GLU N N 7 121.008 119.394 1.614 1
1 80 . 18 1 1 A 8 8 ALA H H 8 8.325 8.168 0.157 1
1 81 . 18 1 1 A 8 8 ALA HA H 8 4.212 4.021 0.191 1
1 85 . 18 1 1 A 8 8 ALA C C 8 178.913 179.032 -0.119 1
1 86 . 18 1 1 A 8 8 ALA CA C 8 52.832 55.459 -2.627 1
1 87 . 18 1 1 A 8 8 ALA CB C 8 18.909 18.293 0.616 1
1 88 . 18 1 1 A 8 8 ALA N N 8 124.538 122.088 2.450 1
1 89 . 18 1 1 A 9 9 GLN H H 9 8.159 8.279 -0.120 1
1 90 . 18 1 1 A 9 9 GLN HA H 9 4.140 4.100 0.040 1
1 97 . 18 1 1 A 9 9 GLN C C 9 175.771 177.908 -2.137 1
1 98 . 18 1 1 A 9 9 GLN CA C 9 57.655 59.229 -1.574 1
1 99 . 18 1 1 A 9 9 GLN CB C 9 28.606 28.366 0.240 1
1 101 . 18 1 1 A 9 9 GLN N N 9 124.103 117.928 6.175 1
1 103 . 18 1 1 A 10 10 LYS H H 10 8.148 8.026 0.122 1
1 104 . 18 1 1 A 10 10 LYS HA H 10 4.204 4.065 0.139 1
1 113 . 18 1 1 A 10 10 LYS C C 10 177.798 178.659 -0.861 1
1 114 . 18 1 1 A 10 10 LYS CA C 10 57.139 58.778 -1.639 1
1 115 . 18 1 1 A 10 10 LYS CB C 10 33.040 32.202 0.838 1
1 119 . 18 1 1 A 10 10 LYS N N 10 120.635 118.774 1.861 1
1 120 . 18 1 1 A 11 11 ALA H H 11 8.148 8.097 0.051 1
1 121 . 18 1 1 A 11 11 ALA HA H 11 4.140 3.974 0.166 1
1 125 . 18 1 1 A 11 11 ALA C C 11 178.173 180.208 -2.035 1
1 126 . 18 1 1 A 11 11 ALA CA C 11 53.351 55.035 -1.684 1
1 127 . 18 1 1 A 11 11 ALA CB C 11 19.128 18.193 0.935 1
1 128 . 18 1 1 A 11 11 ALA N N 11 123.171 120.959 2.212 1
1 129 . 18 1 1 A 12 12 GLU H H 12 8.248 7.718 0.530 1
1 130 . 18 1 1 A 12 12 GLU HA H 12 4.222 3.984 0.238 1
1 135 . 18 1 1 A 12 12 GLU C C 12 176.385 179.373 -2.988 1
1 136 . 18 1 1 A 12 12 GLU CA C 12 57.442 59.424 -1.982 1
1 137 . 18 1 1 A 12 12 GLU CB C 12 30.001 29.122 0.879 1
1 139 . 18 1 1 A 12 12 GLU N N 12 119.451 118.381 1.070 1
1 140 . 18 1 1 A 13 13 GLU H H 13 8.372 8.051 0.321 1
1 141 . 18 1 1 A 13 13 GLU HA H 13 4.265 4.083 0.182 1
1 146 . 18 1 1 A 13 13 GLU C C 13 178.060 179.018 -0.958 1
1 147 . 18 1 1 A 13 13 GLU CA C 13 56.828 59.183 -2.355 1
1 148 . 18 1 1 A 13 13 GLU CB C 13 30.082 29.124 0.958 1
1 150 . 18 1 1 A 13 13 GLU N N 13 121.080 119.997 1.083 1
1 151 . 18 1 1 A 14 14 GLU H H 14 8.152 7.570 0.582 1
1 152 . 18 1 1 A 14 14 GLU HA H 14 4.142 4.021 0.121 1
1 157 . 18 1 1 A 14 14 GLU C C 14 176.274 179.260 -2.986 1
1 158 . 18 1 1 A 14 14 GLU CA C 14 56.892 58.990 -2.098 1
1 159 . 18 1 1 A 14 14 GLU CB C 14 28.169 29.377 -1.208 1
1 161 . 18 1 1 A 14 14 GLU N N 14 120.236 119.416 0.820 1
1 162 . 18 1 1 A 15 15 LEU H H 15 8.301 7.729 0.572 1
1 163 . 18 1 1 A 15 15 LEU HA H 15 4.224 4.017 0.207 1
1 173 . 18 1 1 A 15 15 LEU C C 15 177.983 178.853 -0.870 1
1 174 . 18 1 1 A 15 15 LEU CA C 15 56.344 57.640 -1.296 1
1 175 . 18 1 1 A 15 15 LEU CB C 15 42.250 41.451 0.799 1
1 179 . 18 1 1 A 15 15 LEU N N 15 123.072 121.018 2.054 1
1 180 . 18 1 1 A 16 16 GLN H H 16 8.132 8.053 0.079 1
1 181 . 18 1 1 A 16 16 GLN HA H 16 4.145 3.943 0.202 1
1 188 . 18 1 1 A 16 16 GLN C C 16 177.674 179.004 -1.330 1
1 189 . 18 1 1 A 16 16 GLN CA C 16 57.971 59.217 -1.246 1
1 190 . 18 1 1 A 16 16 GLN CB C 16 29.889 28.173 1.716 1
1 192 . 18 1 1 A 16 16 GLN N N 16 119.160 117.736 1.424 1
1 194 . 18 1 1 A 17 17 LYS H H 17 8.214 7.431 0.783 1
1 195 . 18 1 1 A 17 17 LYS HA H 17 4.140 4.065 0.075 1
1 204 . 18 1 1 A 17 17 LYS C C 17 177.646 179.363 -1.717 1
1 205 . 18 1 1 A 17 17 LYS CA C 17 57.115 59.172 -2.057 1
1 206 . 18 1 1 A 17 17 LYS CB C 17 32.833 32.280 0.553 1
1 210 . 18 1 1 A 17 17 LYS N N 17 120.310 119.968 0.342 1
1 211 . 18 1 1 A 18 18 VAL H H 18 7.871 7.555 0.316 1
1 212 . 18 1 1 A 18 18 VAL HA H 18 4.108 3.594 0.514 1
1 220 . 18 1 1 A 18 18 VAL C C 18 177.476 178.406 -0.930 1
1 221 . 18 1 1 A 18 18 VAL CA C 18 63.634 66.307 -2.673 1
1 222 . 18 1 1 A 18 18 VAL CB C 18 31.886 31.451 0.435 1
1 225 . 18 1 1 A 18 18 VAL N N 18 120.571 120.032 0.539 1
1 226 . 18 1 1 A 19 19 LEU H H 19 8.180 7.901 0.279 1
1 227 . 18 1 1 A 19 19 LEU HA H 19 4.042 3.953 0.089 1
1 237 . 18 1 1 A 19 19 LEU C C 19 179.462 179.650 -0.188 1
1 238 . 18 1 1 A 19 19 LEU CA C 19 57.653 58.109 -0.456 1
1 239 . 18 1 1 A 19 19 LEU CB C 19 41.800 41.096 0.704 1
1 243 . 18 1 1 A 19 19 LEU N N 19 122.936 120.403 2.533 1
1 244 . 18 1 1 A 20 20 GLU H H 20 8.122 7.773 0.349 1
1 245 . 18 1 1 A 20 20 GLU HA H 20 4.156 4.097 0.059 1
1 250 . 18 1 1 A 20 20 GLU C C 20 178.001 179.558 -1.557 1
1 251 . 18 1 1 A 20 20 GLU CA C 20 58.045 59.756 -1.711 1
1 252 . 18 1 1 A 20 20 GLU CB C 20 30.092 29.253 0.839 1
1 254 . 18 1 1 A 20 20 GLU N N 20 118.745 118.931 -0.186 1
1 255 . 18 1 1 A 21 21 GLU H H 21 8.190 7.878 0.312 1
1 256 . 18 1 1 A 21 21 GLU HA H 21 4.144 4.028 0.116 1
1 261 . 18 1 1 A 21 21 GLU C C 21 177.290 179.295 -2.005 1
1 262 . 18 1 1 A 21 21 GLU CA C 21 58.109 59.782 -1.673 1
1 263 . 18 1 1 A 21 21 GLU CB C 21 29.868 29.322 0.546 1
1 265 . 18 1 1 A 21 21 GLU N N 21 119.542 120.782 -1.240 1
1 266 . 18 1 1 A 22 22 ALA H H 22 8.092 8.730 -0.638 1
1 267 . 18 1 1 A 22 22 ALA HA H 22 4.173 4.136 0.037 1
1 271 . 18 1 1 A 22 22 ALA C C 22 179.020 180.225 -1.205 1
1 272 . 18 1 1 A 22 22 ALA CA C 22 53.944 55.593 -1.649 1
1 273 . 18 1 1 A 22 22 ALA CB C 22 18.578 18.198 0.380 1
1 274 . 18 1 1 A 22 22 ALA N N 22 123.378 123.629 -0.251 1
1 275 . 18 1 1 A 23 23 SER H H 23 8.079 8.149 -0.070 1
1 276 . 18 1 1 A 23 23 SER HA H 23 4.300 4.076 0.224 1
1 279 . 18 1 1 A 23 23 SER C C 23 173.125 176.283 -3.158 1
1 280 . 18 1 1 A 23 23 SER CA C 23 59.414 61.501 -2.087 1
1 281 . 18 1 1 A 23 23 SER CB C 23 63.520 62.427 1.093 1
1 282 . 18 1 1 A 23 23 SER N N 23 114.637 112.735 1.902 1
1 283 . 18 1 1 A 24 24 LYS H H 24 8.032 7.689 0.343 1
1 284 . 18 1 1 A 24 24 LYS HA H 24 4.325 3.992 0.333 1
1 293 . 18 1 1 A 24 24 LYS C C 24 175.423 179.027 -3.604 1
1 294 . 18 1 1 A 24 24 LYS CA C 24 57.273 59.754 -2.481 1
1 295 . 18 1 1 A 24 24 LYS CB C 24 31.200 32.544 -1.344 1
1 299 . 18 1 1 A 24 24 LYS N N 24 122.635 121.849 0.786 1
1 300 . 18 1 1 A 25 25 LYS H H 25 8.042 8.331 -0.289 1
1 301 . 18 1 1 A 25 25 LYS HA H 25 4.169 4.081 0.088 1
1 310 . 18 1 1 A 25 25 LYS C C 25 177.025 179.220 -2.195 1
1 311 . 18 1 1 A 25 25 LYS CA C 25 56.876 59.367 -2.491 1
1 312 . 18 1 1 A 25 25 LYS CB C 25 31.200 31.956 -0.756 1
1 316 . 18 1 1 A 25 25 LYS N N 25 121.079 118.615 2.464 1
1 317 . 18 1 1 A 26 26 ALA H H 26 8.103 8.191 -0.088 1
1 318 . 18 1 1 A 26 26 ALA HA H 26 4.196 4.056 0.140 1
1 322 . 18 1 1 A 26 26 ALA C C 26 178.418 179.796 -1.378 1
1 323 . 18 1 1 A 26 26 ALA CA C 26 53.049 55.011 -1.962 1
1 324 . 18 1 1 A 26 26 ALA CB C 26 19.055 18.275 0.780 1
1 325 . 18 1 1 A 26 26 ALA N N 26 124.589 122.788 1.801 1
1 326 . 18 1 1 A 27 27 VAL H H 27 8.030 7.922 0.108 1
1 327 . 18 1 1 A 27 27 VAL HA H 27 3.945 3.270 0.675 1
1 335 . 18 1 1 A 27 27 VAL C C 27 179.177 178.210 0.967 1
1 336 . 18 1 1 A 27 27 VAL CA C 27 63.001 67.023 -4.022 1
1 337 . 18 1 1 A 27 27 VAL CB C 27 32.449 31.375 1.074 1
1 340 . 18 1 1 A 27 27 VAL N N 27 119.340 118.512 0.828 1
1 341 . 18 1 1 A 28 28 GLU H H 28 8.187 7.959 0.228 1
1 342 . 18 1 1 A 28 28 GLU HA H 28 4.166 4.068 0.098 1
1 347 . 18 1 1 A 28 28 GLU C C 28 176.411 178.486 -2.075 1
1 348 . 18 1 1 A 28 28 GLU CA C 28 57.290 59.284 -1.994 1
1 349 . 18 1 1 A 28 28 GLU CB C 28 30.025 29.330 0.695 1
1 351 . 18 1 1 A 28 28 GLU N N 28 120.351 120.169 0.182 1
1 352 . 18 1 1 A 29 29 ALA H H 29 8.173 8.232 -0.059 1
1 353 . 18 1 1 A 29 29 ALA HA H 29 4.230 4.025 0.205 1
1 357 . 18 1 1 A 29 29 ALA C C 29 176.924 179.703 -2.779 1
1 358 . 18 1 1 A 29 29 ALA CA C 29 53.338 54.848 -1.510 1
1 359 . 18 1 1 A 29 29 ALA CB C 29 18.964 18.287 0.677 1
1 360 . 18 1 1 A 29 29 ALA N N 29 124.463 122.034 2.429 1
1 361 . 18 1 1 A 30 30 GLU H H 30 8.239 7.724 0.515 1
1 362 . 18 1 1 A 30 30 GLU HA H 30 4.251 3.996 0.255 1
1 367 . 18 1 1 A 30 30 GLU C C 30 175.016 177.783 -2.767 1
1 368 . 18 1 1 A 30 30 GLU CA C 30 58.033 59.184 -1.151 1
1 369 . 18 1 1 A 30 30 GLU CB C 30 29.996 29.350 0.646 1
1 371 . 18 1 1 A 30 30 GLU N N 30 122.971 118.278 4.693 1
1 372 . 18 1 1 A 31 31 ARG H H 31 8.261 8.034 0.227 1
1 373 . 18 1 1 A 31 31 ARG HA H 31 4.255 4.268 -0.013 1
1 385 . 18 1 1 A 31 31 ARG C C 31 176.727 176.448 0.279 1
1 386 . 18 1 1 A 31 31 ARG CA C 31 56.565 55.522 1.043 1
1 387 . 18 1 1 A 31 31 ARG CB C 31 30.783 29.010 1.773 1
1 390 . 18 1 1 A 31 31 ARG N N 31 121.894 119.367 2.527 1
1 392 . 18 1 1 A 32 32 GLY H H 32 8.302 7.896 0.406 1
1 393 . 18 1 1 A 32 32 GLY HA2 H 32 3.852 4.031 -0.179 1
1 394 . 18 1 1 A 32 32 GLY HA3 H 32 3.852 4.032 -0.180 1
1 395 . 18 1 1 A 32 32 GLY C C 32 173.994 174.681 -0.687 1
1 396 . 18 1 1 A 32 32 GLY CA C 32 45.077 45.435 -0.358 1
1 397 . 18 1 1 A 32 32 GLY N N 32 109.773 110.255 -0.482 1
1 398 . 18 1 1 A 33 33 ALA H H 33 8.011 7.751 0.260 1
1 399 . 18 1 1 A 33 33 ALA HA H 33 4.212 4.533 -0.321 1
1 403 . 18 1 1 A 33 33 ALA CA C 33 50.522 50.847 -0.325 1
1 404 . 18 1 1 A 33 33 ALA CB C 33 18.962 19.574 -0.612 1
1 405 . 18 1 1 A 33 33 ALA N N 33 123.601 124.446 -0.845 1
1 406 . 18 1 1 A 34 34 PRO HA H 34 4.352 4.287 0.065 1
1 413 . 18 1 1 A 34 34 PRO C C 34 177.746 177.297 0.449 1
1 414 . 18 1 1 A 34 34 PRO CA C 34 63.520 63.651 -0.131 1
1 415 . 18 1 1 A 34 34 PRO CB C 34 31.938 32.130 -0.192 1
1 418 . 18 1 1 A 35 35 GLY H H 35 8.433 8.844 -0.411 1
1 419 . 18 1 1 A 35 35 GLY HA2 H 35 3.848 3.940 -0.092 1
1 420 . 18 1 1 A 35 35 GLY HA3 H 35 3.848 3.940 -0.092 1
1 421 . 18 1 1 A 35 35 GLY C C 35 173.266 174.673 -1.407 1
1 422 . 18 1 1 A 35 35 GLY CA C 35 45.405 45.570 -0.165 1
1 423 . 18 1 1 A 35 35 GLY N N 35 109.298 111.356 -2.058 1
1 424 . 18 1 1 A 36 36 ALA H H 36 8.095 7.918 0.177 1
1 425 . 18 1 1 A 36 36 ALA HA H 36 4.196 4.276 -0.080 1
1 429 . 18 1 1 A 36 36 ALA C C 36 177.944 176.805 1.139 1
1 430 . 18 1 1 A 36 36 ALA CA C 36 52.551 52.511 0.040 1
1 431 . 18 1 1 A 36 36 ALA CB C 36 19.485 19.538 -0.053 1
1 432 . 18 1 1 A 36 36 ALA N N 36 124.605 122.719 1.886 1
1 433 . 18 1 1 A 37 37 ALA H H 37 8.199 9.092 -0.893 1
1 434 . 18 1 1 A 37 37 ALA HA H 37 4.491 4.429 0.062 1
1 438 . 18 1 1 A 37 37 ALA C C 37 177.456 176.856 0.600 1
1 439 . 18 1 1 A 37 37 ALA CA C 37 52.453 53.245 -0.792 1
1 440 . 18 1 1 A 37 37 ALA CB C 37 19.060 20.997 -1.937 1
1 441 . 18 1 1 A 37 37 ALA N N 37 123.695 124.896 -1.201 1
1 442 . 18 1 1 A 38 38 LEU H H 38 8.099 8.159 -0.060 1
1 443 . 18 1 1 A 38 38 LEU HA H 38 4.243 4.175 0.068 1
1 453 . 18 1 1 A 38 38 LEU C C 38 177.358 175.622 1.736 1
1 454 . 18 1 1 A 38 38 LEU CA C 38 55.218 54.120 1.098 1
1 455 . 18 1 1 A 38 38 LEU CB C 38 42.228 40.495 1.733 1
1 459 . 18 1 1 A 38 38 LEU N N 38 121.531 118.050 3.481 1
1 460 . 18 1 1 A 39 39 ILE H H 39 7.966 8.452 -0.486 1
1 461 . 18 1 1 A 39 39 ILE HA H 39 4.136 4.611 -0.475 1
1 471 . 18 1 1 A 39 39 ILE C C 39 175.586 174.060 1.526 1
1 472 . 18 1 1 A 39 39 ILE CA C 39 60.873 60.300 0.573 1
1 473 . 18 1 1 A 39 39 ILE CB C 39 38.727 38.299 0.428 1
1 477 . 18 1 1 A 39 39 ILE N N 39 121.669 126.893 -5.224 1
1 478 . 18 1 1 A 40 40 SER H H 40 8.101 8.315 -0.214 1
1 479 . 18 1 1 A 40 40 SER HA H 40 4.347 4.967 -0.620 1
1 482 . 18 1 1 A 40 40 SER C C 40 173.336 174.071 -0.735 1
1 483 . 18 1 1 A 40 40 SER CA C 40 57.331 57.730 -0.399 1
1 484 . 18 1 1 A 40 40 SER CB C 40 63.983 65.925 -1.942 1
1 485 . 18 1 1 A 40 40 SER N N 40 119.591 122.329 -2.738 1
1 486 . 18 1 1 A 41 41 TYR H H 41 8.100 9.144 -1.044 1
1 487 . 18 1 1 A 41 41 TYR HA H 41 4.436 4.265 0.171 1
1 494 . 18 1 1 A 41 41 TYR CA C 41 56.067 62.775 -6.708 1
1 495 . 18 1 1 A 41 41 TYR CB C 41 38.244 37.077 1.167 1
1 496 . 18 1 1 A 41 41 TYR N N 41 122.744 126.784 -4.040 1
1 497 . 18 1 1 A 42 42 PRO HA H 42 4.281 4.508 -0.227 1
1 504 . 18 1 1 A 42 42 PRO C C 42 176.765 178.005 -1.240 1
1 505 . 18 1 1 A 42 42 PRO CA C 42 63.650 64.538 -0.888 1
1 506 . 18 1 1 A 42 42 PRO CB C 42 30.513 31.417 -0.904 1
1 509 . 18 1 1 A 43 43 ASP H H 43 8.305 8.384 -0.079 1
1 510 . 18 1 1 A 43 43 ASP HA H 43 4.548 4.719 -0.171 1
1 513 . 18 1 1 A 43 43 ASP C C 43 175.135 177.967 -2.832 1
1 514 . 18 1 1 A 43 43 ASP CA C 43 53.570 55.746 -2.176 1
1 515 . 18 1 1 A 43 43 ASP CB C 43 38.450 41.727 -3.277 1
1 516 . 18 1 1 A 43 43 ASP N N 43 118.052 118.489 -0.437 1
1 517 . 18 1 1 A 44 44 ALA H H 44 8.013 8.263 -0.250 1
1 518 . 18 1 1 A 44 44 ALA HA H 44 4.106 4.145 -0.039 1
1 522 . 18 1 1 A 44 44 ALA C C 44 177.969 180.404 -2.435 1
1 523 . 18 1 1 A 44 44 ALA CA C 44 52.867 54.508 -1.641 1
1 524 . 18 1 1 A 44 44 ALA CB C 44 19.023 18.291 0.732 1
1 525 . 18 1 1 A 44 44 ALA N N 44 123.344 121.632 1.712 1
1 526 . 18 1 1 A 45 45 ILE H H 45 7.860 7.801 0.059 1
1 527 . 18 1 1 A 45 45 ILE HA H 45 3.855 4.120 -0.265 1
1 537 . 18 1 1 A 45 45 ILE C C 45 176.287 177.697 -1.410 1
1 538 . 18 1 1 A 45 45 ILE CA C 45 61.465 63.458 -1.993 1
1 539 . 18 1 1 A 45 45 ILE CB C 45 38.294 38.013 0.281 1
1 543 . 18 1 1 A 45 45 ILE N N 45 118.636 119.741 -1.105 1
1 544 . 18 1 1 A 46 46 TRP H H 46 7.646 8.106 -0.460 1
1 545 . 18 1 1 A 46 46 TRP HA H 46 4.504 4.327 0.177 1
1 554 . 18 1 1 A 46 46 TRP C C 46 176.136 178.869 -2.733 1
1 555 . 18 1 1 A 46 46 TRP CA C 46 57.139 61.072 -3.933 1
1 556 . 18 1 1 A 46 46 TRP CB C 46 28.880 29.489 -0.609 1
1 558 . 18 1 1 A 46 46 TRP N N 46 122.947 122.965 -0.018 1
1 560 . 18 1 1 A 47 47 TRP H H 47 7.502 7.966 -0.464 1
1 561 . 18 1 1 A 47 47 TRP HA H 47 4.482 4.278 0.204 1
1 570 . 18 1 1 A 47 47 TRP C C 47 176.149 178.574 -2.425 1
1 571 . 18 1 1 A 47 47 TRP CA C 47 57.197 60.965 -3.768 1
1 572 . 18 1 1 A 47 47 TRP CB C 47 29.703 29.696 0.007 1
1 573 . 18 1 1 A 47 47 TRP N N 47 120.943 122.016 -1.073 1
1 575 . 18 1 1 A 48 48 SER H H 48 7.861 8.746 -0.885 1
1 576 . 18 1 1 A 48 48 SER HA H 48 4.258 4.236 0.022 1
1 579 . 18 1 1 A 48 48 SER C C 48 174.600 177.525 -2.925 1
1 580 . 18 1 1 A 48 48 SER CA C 48 57.844 61.592 -3.748 1
1 581 . 18 1 1 A 48 48 SER CB C 48 64.102 62.867 1.235 1
1 582 . 18 1 1 A 48 48 SER N N 48 116.339 114.592 1.747 1
1 583 . 18 1 1 A 49 49 VAL H H 49 7.921 7.622 0.299 1
1 584 . 18 1 1 A 49 49 VAL HA H 49 3.990 3.468 0.522 1
1 592 . 18 1 1 A 49 49 VAL C C 49 176.402 177.881 -1.479 1
1 593 . 18 1 1 A 49 49 VAL CA C 49 62.909 66.805 -3.896 1
1 594 . 18 1 1 A 49 49 VAL CB C 49 32.467 31.491 0.976 1
1 597 . 18 1 1 A 49 49 VAL N N 49 121.079 123.163 -2.084 1
1 598 . 18 1 1 A 50 50 GLU H H 50 8.229 7.811 0.418 1
1 599 . 18 1 1 A 50 50 GLU HA H 50 4.307 4.100 0.207 1
1 604 . 18 1 1 A 50 50 GLU C C 50 176.506 178.531 -2.025 1
1 605 . 18 1 1 A 50 50 GLU CA C 50 57.040 58.957 -1.917 1
1 606 . 18 1 1 A 50 50 GLU CB C 50 30.123 28.541 1.582 1
1 608 . 18 1 1 A 50 50 GLU N N 50 122.433 119.454 2.979 1
1 609 . 18 1 1 A 51 51 THR H H 51 7.993 7.879 0.114 1
1 610 . 18 1 1 A 51 51 THR HA H 51 4.248 3.562 0.686 1
1 615 . 18 1 1 A 51 51 THR C C 51 174.430 176.198 -1.768 1
1 616 . 18 1 1 A 51 51 THR CA C 51 62.227 65.841 -3.614 1
1 617 . 18 1 1 A 51 51 THR CB C 51 69.712 67.912 1.800 1
1 619 . 18 1 1 A 51 51 THR N N 51 114.413 116.644 -2.231 1
1 620 . 18 1 1 A 52 52 ALA H H 52 8.160 7.712 0.448 1
1 621 . 18 1 1 A 52 52 ALA HA H 52 4.212 4.155 0.057 1
1 625 . 18 1 1 A 52 52 ALA C C 52 177.976 179.323 -1.347 1
1 626 . 18 1 1 A 52 52 ALA CA C 52 53.069 55.161 -2.092 1
1 627 . 18 1 1 A 52 52 ALA CB C 52 19.178 18.166 1.012 1
1 628 . 18 1 1 A 52 52 ALA N N 52 125.641 123.677 1.964 1
1 629 . 18 1 1 A 53 53 THR H H 53 8.022 7.200 0.822 1
1 630 . 18 1 1 A 53 53 THR HA H 53 4.231 4.385 -0.154 1
1 635 . 18 1 1 A 53 53 THR C C 53 174.750 174.894 -0.144 1
1 636 . 18 1 1 A 53 53 THR CA C 53 62.231 62.048 0.183 1
1 637 . 18 1 1 A 53 53 THR CB C 53 69.726 69.147 0.579 1
1 639 . 18 1 1 A 53 53 THR N N 53 112.100 108.299 3.801 1
1 640 . 18 1 1 A 54 54 THR H H 54 7.999 8.163 -0.164 1
1 641 . 18 1 1 A 54 54 THR HA H 54 4.303 3.977 0.326 1
1 646 . 18 1 1 A 54 54 THR C C 54 174.592 174.729 -0.137 1
1 647 . 18 1 1 A 54 54 THR CA C 54 62.002 63.404 -1.402 1
1 648 . 18 1 1 A 54 54 THR CB C 54 69.793 66.669 3.124 1
1 650 . 18 1 1 A 54 54 THR N N 54 116.238 115.162 1.076 1
1 651 . 18 1 1 A 55 55 VAL H H 55 8.098 7.430 0.668 1
1 652 . 18 1 1 A 55 55 VAL HA H 55 4.017 3.872 0.145 1
1 660 . 18 1 1 A 55 55 VAL C C 55 176.453 176.105 0.348 1
1 661 . 18 1 1 A 55 55 VAL CA C 55 62.650 65.184 -2.534 1
1 662 . 18 1 1 A 55 55 VAL CB C 55 32.524 31.898 0.626 1
1 665 . 18 1 1 A 55 55 VAL N N 55 122.445 122.571 -0.126 1
1 666 . 18 1 1 A 56 56 GLY H H 56 8.308 7.958 0.350 1
1 667 . 18 1 1 A 56 56 GLY HA2 H 56 3.839 3.826 0.013 1
1 668 . 18 1 1 A 56 56 GLY HA3 H 56 4.019 3.884 0.135 1
1 669 . 18 1 1 A 56 56 GLY C C 56 173.958 174.723 -0.765 1
1 670 . 18 1 1 A 56 56 GLY CA C 56 45.216 46.886 -1.670 1
1 671 . 18 1 1 A 56 56 GLY N N 56 112.118 108.732 3.386 1
1 672 . 18 1 1 A 57 57 TYR H H 57 8.051 8.503 -0.452 1
1 673 . 18 1 1 A 57 57 TYR HA H 57 4.402 4.404 -0.002 1
1 680 . 18 1 1 A 57 57 TYR C C 57 176.557 175.961 0.596 1
1 681 . 18 1 1 A 57 57 TYR CA C 57 58.251 60.622 -2.371 1
1 682 . 18 1 1 A 57 57 TYR CB C 57 38.935 39.115 -0.180 1
1 683 . 18 1 1 A 57 57 TYR N N 57 120.259 120.655 -0.396 1
1 684 . 18 1 1 A 58 58 GLY H H 58 8.335 7.974 0.361 1
1 685 . 18 1 1 A 58 58 GLY HA2 H 58 3.801 4.116 -0.315 1
1 686 . 18 1 1 A 58 58 GLY HA3 H 58 3.801 4.146 -0.345 1
1 687 . 18 1 1 A 58 58 GLY C C 58 173.911 174.814 -0.903 1
1 688 . 18 1 1 A 58 58 GLY CA C 58 45.311 45.390 -0.079 1
1 689 . 18 1 1 A 58 58 GLY N N 58 110.220 107.243 2.977 1
1 690 . 18 1 1 A 59 59 ASP H H 59 8.161 8.083 0.078 1
1 691 . 18 1 1 A 59 59 ASP HA H 59 4.581 4.386 0.195 1
1 694 . 18 1 1 A 59 59 ASP C C 59 175.189 175.699 -0.510 1
1 695 . 18 1 1 A 59 59 ASP CA C 59 53.570 56.951 -3.381 1
1 696 . 18 1 1 A 59 59 ASP CB C 59 38.750 41.776 -3.026 1
1 697 . 18 1 1 A 59 59 ASP N N 59 118.765 121.700 -2.935 1
1 698 . 18 1 1 A 60 60 ARG H H 60 8.086 7.731 0.355 1
1 699 . 18 1 1 A 60 60 ARG HA H 60 4.152 4.316 -0.164 1
1 711 . 18 1 1 A 60 60 ARG C C 60 176.603 173.619 2.984 1
1 712 . 18 1 1 A 60 60 ARG CA C 60 56.825 54.035 2.790 1
1 713 . 18 1 1 A 60 60 ARG CB C 60 30.935 33.981 -3.046 1
1 716 . 18 1 1 A 60 60 ARG N N 60 120.762 116.965 3.797 1
1 718 . 18 1 1 A 61 61 TYR H H 61 8.117 8.539 -0.422 1
1 719 . 18 1 1 A 61 61 TYR HA H 61 4.488 5.039 -0.551 1
1 726 . 18 1 1 A 61 61 TYR CA C 61 56.688 55.569 1.119 1
1 727 . 18 1 1 A 61 61 TYR CB C 61 39.582 41.367 -1.785 1
1 728 . 18 1 1 A 61 61 TYR N N 61 121.714 119.936 1.778 1
1 729 . 18 1 1 A 62 62 PRO HA H 62 4.383 4.443 -0.060 1
1 736 . 18 1 1 A 62 62 PRO C C 62 177.441 176.587 0.854 1
1 737 . 18 1 1 A 62 62 PRO CA C 62 63.212 62.121 1.091 1
1 738 . 18 1 1 A 62 62 PRO CB C 62 31.939 32.490 -0.551 1
1 741 . 18 1 1 A 63 63 VAL H H 63 8.217 7.697 0.520 1
1 742 . 18 1 1 A 63 63 VAL HA H 63 4.164 4.467 -0.303 1
1 750 . 18 1 1 A 63 63 VAL C C 63 176.576 176.545 0.031 1
1 751 . 18 1 1 A 63 63 VAL CA C 63 62.382 61.236 1.146 1
1 752 . 18 1 1 A 63 63 VAL CB C 63 32.862 33.670 -0.808 1
1 755 . 18 1 1 A 63 63 VAL N N 63 120.316 118.334 1.982 1
1 756 . 18 1 1 A 64 64 THR H H 64 8.084 8.624 -0.540 1
1 757 . 18 1 1 A 64 64 THR HA H 64 4.313 4.243 0.070 1
1 762 . 18 1 1 A 64 64 THR C C 64 174.558 176.182 -1.624 1
1 763 . 18 1 1 A 64 64 THR CA C 64 62.606 64.984 -2.378 1
1 764 . 18 1 1 A 64 64 THR CB C 64 70.496 69.292 1.204 1
1 766 . 18 1 1 A 64 64 THR N N 64 116.779 116.804 -0.025 1
1 767 . 18 1 1 A 65 65 GLU H H 65 8.404 8.148 0.256 1
1 768 . 18 1 1 A 65 65 GLU HA H 65 4.314 3.969 0.345 1
1 773 . 18 1 1 A 65 65 GLU C C 65 175.016 175.880 -0.864 1
1 774 . 18 1 1 A 65 65 GLU CA C 65 57.750 59.658 -1.908 1
1 775 . 18 1 1 A 65 65 GLU CB C 65 30.083 29.378 0.705 1
1 777 . 18 1 1 A 65 65 GLU N N 65 122.323 121.979 0.344 1
1 778 . 18 1 1 A 66 66 GLU H H 66 8.397 8.040 0.357 1
1 779 . 18 1 1 A 66 66 GLU HA H 66 4.224 4.639 -0.415 1
1 784 . 18 1 1 A 66 66 GLU C C 66 176.855 176.491 0.364 1
1 785 . 18 1 1 A 66 66 GLU CA C 66 58.023 55.677 2.346 1
1 786 . 18 1 1 A 66 66 GLU CB C 66 29.857 31.274 -1.417 1
1 788 . 18 1 1 A 66 66 GLU N N 66 122.201 116.378 5.823 1
1 789 . 18 1 1 A 67 67 GLY H H 67 8.376 8.625 -0.249 1
1 790 . 18 1 1 A 67 67 GLY HA2 H 67 3.834 3.908 -0.074 1
1 791 . 18 1 1 A 67 67 GLY HA3 H 67 3.834 3.910 -0.076 1
1 792 . 18 1 1 A 67 67 GLY C C 67 173.071 175.293 -2.222 1
1 793 . 18 1 1 A 67 67 GLY CA C 67 45.871 47.276 -1.405 1
1 794 . 18 1 1 A 67 67 GLY N N 67 109.499 109.766 -0.267 1
1 795 . 18 1 1 A 68 68 ARG H H 68 8.011 8.588 -0.577 1
1 796 . 18 1 1 A 68 68 ARG HA H 68 4.482 4.103 0.379 1
1 808 . 18 1 1 A 68 68 ARG C C 68 177.494 178.547 -1.053 1
1 809 . 18 1 1 A 68 68 ARG CA C 68 57.574 58.850 -1.276 1
1 810 . 18 1 1 A 68 68 ARG CB C 68 30.325 29.929 0.396 1
1 813 . 18 1 1 A 68 68 ARG N N 68 122.501 122.432 0.069 1
1 815 . 18 1 1 A 69 69 LYS H H 69 7.986 7.915 0.071 1
1 816 . 18 1 1 A 69 69 LYS HA H 69 4.150 4.173 -0.023 1
1 825 . 18 1 1 A 69 69 LYS C C 69 178.168 179.518 -1.350 1
1 826 . 18 1 1 A 69 69 LYS CA C 69 57.781 58.968 -1.187 1
1 827 . 18 1 1 A 69 69 LYS CB C 69 32.705 31.834 0.871 1
1 831 . 18 1 1 A 69 69 LYS N N 69 120.934 119.317 1.617 1
1 832 . 18 1 1 A 70 70 VAL H H 70 7.848 7.746 0.102 1
1 833 . 18 1 1 A 70 70 VAL HA H 70 4.088 3.686 0.402 1
1 841 . 18 1 1 A 70 70 VAL C C 70 175.998 178.010 -2.012 1
1 842 . 18 1 1 A 70 70 VAL CA C 70 64.206 66.328 -2.122 1
1 843 . 18 1 1 A 70 70 VAL CB C 70 31.873 31.534 0.339 1
1 846 . 18 1 1 A 70 70 VAL N N 70 120.324 120.058 0.266 1
1 847 . 18 1 1 A 71 71 ALA H H 71 8.300 8.879 -0.579 1
1 848 . 18 1 1 A 71 71 ALA HA H 71 4.221 4.004 0.217 1
1 852 . 18 1 1 A 71 71 ALA C C 71 178.225 178.962 -0.737 1
1 853 . 18 1 1 A 71 71 ALA CA C 71 53.106 55.986 -2.880 1
1 854 . 18 1 1 A 71 71 ALA CB C 71 19.128 18.562 0.566 1
1 855 . 18 1 1 A 71 71 ALA N N 71 127.025 122.620 4.405 1
1 856 . 18 1 1 A 72 72 GLU H H 72 8.181 8.969 -0.788 1
1 857 . 18 1 1 A 72 72 GLU HA H 72 4.219 4.001 0.218 1
1 862 . 18 1 1 A 72 72 GLU C C 72 176.779 179.251 -2.472 1
1 863 . 18 1 1 A 72 72 GLU CA C 72 56.776 60.006 -3.230 1
1 864 . 18 1 1 A 72 72 GLU CB C 72 28.610 29.407 -0.797 1
1 866 . 18 1 1 A 72 72 GLU N N 72 123.008 118.116 4.892 1
1 867 . 18 1 1 A 73 73 GLN H H 73 8.132 7.547 0.585 1
1 868 . 18 1 1 A 73 73 GLN HA H 73 4.141 4.149 -0.008 1
1 875 . 18 1 1 A 73 73 GLN C C 73 175.803 178.907 -3.104 1
1 876 . 18 1 1 A 73 73 GLN CA C 73 56.456 58.634 -2.178 1
1 877 . 18 1 1 A 73 73 GLN CB C 73 28.290 28.398 -0.108 1
1 879 . 18 1 1 A 73 73 GLN N N 73 120.564 119.965 0.599 1
1 881 . 18 1 1 A 74 74 VAL H H 74 8.088 7.756 0.332 1
1 882 . 18 1 1 A 74 74 VAL HA H 74 3.986 3.485 0.501 1
1 890 . 18 1 1 A 74 74 VAL C C 74 176.167 177.954 -1.787 1
1 891 . 18 1 1 A 74 74 VAL CA C 74 63.123 66.382 -3.259 1
1 892 . 18 1 1 A 74 74 VAL CB C 74 30.082 31.844 -1.762 1
1 895 . 18 1 1 A 74 74 VAL N N 74 121.828 120.416 1.412 1
1 896 . 18 1 1 A 75 75 MET H H 75 8.167 8.558 -0.391 1
1 897 . 18 1 1 A 75 75 MET HA H 75 4.093 4.041 0.052 1
1 903 . 18 1 1 A 75 75 MET C C 75 176.455 178.560 -2.105 1
1 904 . 18 1 1 A 75 75 MET N N 75 123.990 117.206 6.784 1
1 905 . 18 1 1 A 76 76 LYS H H 76 8.287 8.116 0.171 1
1 906 . 18 1 1 A 76 76 LYS HA H 76 4.234 3.979 0.255 1
1 915 . 18 1 1 A 76 76 LYS C C 76 176.220 178.492 -2.272 1
1 916 . 18 1 1 A 76 76 LYS CA C 76 56.765 58.945 -2.180 1
1 917 . 18 1 1 A 76 76 LYS CB C 76 33.055 32.227 0.828 1
1 921 . 18 1 1 A 76 76 LYS N N 76 122.725 120.188 2.537 1
1 922 . 18 1 1 A 77 77 ALA H H 77 8.308 8.076 0.232 1
1 923 . 18 1 1 A 77 77 ALA HA H 77 4.213 4.037 0.176 1
1 927 . 18 1 1 A 77 77 ALA C C 77 178.097 179.898 -1.801 1
1 928 . 18 1 1 A 77 77 ALA CA C 77 52.740 54.981 -2.241 1
1 929 . 18 1 1 A 77 77 ALA CB C 77 19.427 18.412 1.015 1
1 930 . 18 1 1 A 77 77 ALA N N 77 125.316 121.725 3.591 1
1 931 . 18 1 1 A 78 78 GLY H H 78 8.284 8.002 0.282 1
1 932 . 18 1 1 A 78 78 GLY HA2 H 78 3.873 3.556 0.317 1
1 933 . 18 1 1 A 78 78 GLY HA3 H 78 3.873 3.757 0.116 1
1 934 . 18 1 1 A 78 78 GLY C C 78 174.065 175.638 -1.573 1
1 935 . 18 1 1 A 78 78 GLY CA C 78 45.497 47.429 -1.932 1
1 936 . 18 1 1 A 78 78 GLY N N 78 107.778 105.713 2.065 1
1 937 . 18 1 1 A 79 79 ILE H H 79 7.882 8.465 -0.583 1
1 938 . 18 1 1 A 79 79 ILE HA H 79 4.119 3.970 0.149 1
1 948 . 18 1 1 A 79 79 ILE C C 79 176.160 178.238 -2.078 1
1 949 . 18 1 1 A 79 79 ILE CA C 79 61.436 64.257 -2.821 1
1 950 . 18 1 1 A 79 79 ILE CB C 79 38.904 37.266 1.638 1
1 954 . 18 1 1 A 79 79 ILE N N 79 119.794 122.622 -2.828 1
1 955 . 18 1 1 A 80 80 GLU H H 80 8.354 8.057 0.297 1
1 956 . 18 1 1 A 80 80 GLU HA H 80 4.282 4.017 0.265 1
1 961 . 18 1 1 A 80 80 GLU C C 80 176.174 179.625 -3.451 1
1 962 . 18 1 1 A 80 80 GLU CA C 80 57.178 59.462 -2.284 1
1 963 . 18 1 1 A 80 80 GLU CB C 80 30.019 29.584 0.435 1
1 965 . 18 1 1 A 80 80 GLU N N 80 124.311 119.352 4.959 1
1 966 . 18 1 1 A 81 81 VAL H H 81 8.205 8.128 0.077 1
1 967 . 18 1 1 A 81 81 VAL HA H 81 3.985 3.483 0.502 1
1 975 . 18 1 1 A 81 81 VAL C C 81 175.815 177.885 -2.070 1
1 976 . 18 1 1 A 81 81 VAL CA C 81 62.865 66.455 -3.590 1
1 977 . 18 1 1 A 81 81 VAL CB C 81 32.629 31.533 1.096 1
1 980 . 18 1 1 A 81 81 VAL N N 81 121.106 121.400 -0.294 1
1 981 . 18 1 1 A 82 82 PHE H H 82 8.252 8.194 0.058 1
1 982 . 18 1 1 A 82 82 PHE HA H 82 4.551 4.145 0.406 1
1 990 . 18 1 1 A 82 82 PHE C C 82 175.631 177.980 -2.349 1
1 991 . 18 1 1 A 82 82 PHE CA C 82 58.206 61.422 -3.216 1
1 992 . 18 1 1 A 82 82 PHE CB C 82 39.431 37.773 1.658 1
1 993 . 18 1 1 A 82 82 PHE N N 82 123.622 118.489 5.133 1
1 994 . 18 1 1 A 83 83 ALA H H 83 8.184 8.387 -0.203 1
1 995 . 18 1 1 A 83 83 ALA HA H 83 4.230 4.201 0.029 1
1 999 . 18 1 1 A 83 83 ALA C C 83 178.025 180.185 -2.160 1
1 1000 . 18 1 1 A 83 83 ALA CA C 83 52.731 54.691 -1.960 1
1 1001 . 18 1 1 A 83 83 ALA CB C 83 19.359 18.838 0.521 1
1 1002 . 18 1 1 A 83 83 ALA N N 83 125.081 122.209 2.872 1
1 1003 . 18 1 1 A 84 84 LEU H H 84 8.104 8.524 -0.420 1
1 1004 . 18 1 1 A 84 84 LEU HA H 84 4.167 4.077 0.090 1
1 1014 . 18 1 1 A 84 84 LEU C C 84 176.390 178.477 -2.087 1
1 1015 . 18 1 1 A 84 84 LEU CA C 84 55.786 57.596 -1.810 1
1 1016 . 18 1 1 A 84 84 LEU CB C 84 42.179 41.468 0.711 1
1 1020 . 18 1 1 A 84 84 LEU N N 84 119.064 120.668 -1.604 1
1 1021 . 18 1 1 A 85 85 VAL H H 85 8.155 7.410 0.745 1
1 1022 . 18 1 1 A 85 85 VAL HA H 85 4.073 4.038 0.035 1
1 1030 . 18 1 1 A 85 85 VAL C C 85 176.521 177.710 -1.189 1
1 1031 . 18 1 1 A 85 85 VAL CA C 85 62.762 64.237 -1.475 1
1 1032 . 18 1 1 A 85 85 VAL CB C 85 32.498 31.626 0.872 1
1 1035 . 18 1 1 A 85 85 VAL N N 85 121.743 114.658 7.085 1
1 1036 . 18 1 1 A 86 86 THR H H 86 8.052 7.918 0.134 1
1 1037 . 18 1 1 A 86 86 THR HA H 86 4.141 3.989 0.152 1
1 1042 . 18 1 1 A 86 86 THR C C 86 174.706 176.320 -1.614 1
1 1043 . 18 1 1 A 86 86 THR CA C 86 62.351 65.884 -3.533 1
1 1044 . 18 1 1 A 86 86 THR CB C 86 69.618 68.429 1.189 1
1 1046 . 18 1 1 A 86 86 THR N N 86 117.693 116.457 1.236 1
1 1047 . 18 1 1 A 87 87 ALA H H 87 8.216 8.156 0.060 1
1 1048 . 18 1 1 A 87 87 ALA HA H 87 4.170 4.068 0.102 1
1 1052 . 18 1 1 A 87 87 ALA C C 87 178.003 179.217 -1.214 1
1 1053 . 18 1 1 A 87 87 ALA CA C 87 52.967 54.362 -1.395 1
1 1054 . 18 1 1 A 87 87 ALA CB C 87 18.326 18.297 0.029 1
1 1055 . 18 1 1 A 87 87 ALA N N 87 126.174 122.962 3.212 1
1 1056 . 18 1 1 A 88 88 ALA H H 88 8.129 8.254 -0.125 1
1 1057 . 18 1 1 A 88 88 ALA HA H 88 4.147 3.544 0.603 1
1 1061 . 18 1 1 A 88 88 ALA C C 88 178.246 179.082 -0.836 1
1 1062 . 18 1 1 A 88 88 ALA CA C 88 52.961 54.109 -1.148 1
1 1063 . 18 1 1 A 88 88 ALA CB C 88 19.290 19.043 0.247 1
1 1064 . 18 1 1 A 88 88 ALA N N 88 122.649 119.555 3.094 1
1 1065 . 18 1 1 A 89 89 LEU H H 89 7.992 7.539 0.453 1
1 1066 . 18 1 1 A 89 89 LEU HA H 89 4.153 3.820 0.333 1
1 1076 . 18 1 1 A 89 89 LEU C C 89 176.375 178.606 -2.231 1
1 1077 . 18 1 1 A 89 89 LEU CA C 89 57.099 57.946 -0.847 1
1 1078 . 18 1 1 A 89 89 LEU CB C 89 42.055 41.511 0.544 1
1 1082 . 18 1 1 A 89 89 LEU N N 89 120.616 118.844 1.772 1
1 1083 . 18 1 1 A 90 90 ALA H H 90 8.168 7.883 0.285 1
1 1084 . 18 1 1 A 90 90 ALA HA H 90 4.218 4.246 -0.028 1
1 1088 . 18 1 1 A 90 90 ALA C C 90 178.487 179.783 -1.296 1
1 1089 . 18 1 1 A 90 90 ALA CA C 90 53.043 54.217 -1.174 1
1 1090 . 18 1 1 A 90 90 ALA CB C 90 19.269 18.326 0.943 1
1 1091 . 18 1 1 A 90 90 ALA N N 90 124.243 121.433 2.810 1
1 1092 . 18 1 1 A 91 91 THR H H 91 7.988 7.289 0.699 1
1 1093 . 18 1 1 A 91 91 THR HA H 91 4.181 4.023 0.158 1
1 1098 . 18 1 1 A 91 91 THR C C 91 174.931 174.903 0.028 1
1 1099 . 18 1 1 A 91 91 THR CA C 91 62.190 64.575 -2.385 1
1 1100 . 18 1 1 A 91 91 THR CB C 91 69.198 68.379 0.819 1
1 1102 . 18 1 1 A 91 91 THR N N 91 112.659 112.464 0.195 1
1 1103 . 18 1 1 A 92 92 ASP H H 92 8.254 7.585 0.669 1
1 1104 . 18 1 1 A 92 92 ASP HA H 92 4.541 4.854 -0.313 1
1 1107 . 18 1 1 A 92 92 ASP C C 92 175.823 177.123 -1.300 1
1 1108 . 18 1 1 A 92 92 ASP CA C 92 53.570 53.985 -0.415 1
1 1109 . 18 1 1 A 92 92 ASP CB C 92 38.750 41.430 -2.680 1
1 1110 . 18 1 1 A 92 92 ASP N N 92 120.688 120.761 -0.073 1
1 1111 . 18 1 1 A 93 93 PHE H H 93 8.048 8.121 -0.073 1
1 1112 . 18 1 1 A 93 93 PHE HA H 93 4.547 4.406 0.141 1
1 1120 . 18 1 1 A 93 93 PHE C C 93 176.384 177.468 -1.084 1
1 1121 . 18 1 1 A 93 93 PHE CA C 93 58.633 59.265 -0.632 1
1 1122 . 18 1 1 A 93 93 PHE CB C 93 39.451 38.604 0.847 1
1 1123 . 18 1 1 A 93 93 PHE N N 93 120.763 119.064 1.699 1
1 1124 . 18 1 1 A 94 94 VAL H H 94 7.904 7.486 0.418 1
1 1125 . 18 1 1 A 94 94 VAL HA H 94 4.364 3.175 1.189 1
1 1133 . 18 1 1 A 94 94 VAL C C 94 176.851 177.910 -1.059 1
1 1134 . 18 1 1 A 94 94 VAL CA C 94 63.297 65.827 -2.530 1
1 1135 . 18 1 1 A 94 94 VAL CB C 94 29.241 30.750 -1.509 1
1 1138 . 18 1 1 A 94 94 VAL N N 94 121.478 120.424 1.054 1
1 1139 . 18 1 1 A 95 95 ARG H H 95 8.146 7.778 0.368 1
1 1140 . 18 1 1 A 95 95 ARG HA H 95 4.134 3.975 0.159 1
1 1152 . 18 1 1 A 95 95 ARG C C 95 177.395 178.905 -1.510 1
1 1153 . 18 1 1 A 95 95 ARG CA C 95 55.978 58.883 -2.905 1
1 1154 . 18 1 1 A 95 95 ARG CB C 95 31.070 29.667 1.403 1
1 1157 . 18 1 1 A 95 95 ARG N N 95 122.920 120.132 2.788 1
1 1159 . 18 1 1 A 96 96 ARG H H 96 8.313 8.377 -0.064 1
1 1160 . 18 1 1 A 96 96 ARG HA H 96 4.180 4.132 0.048 1
1 1172 . 18 1 1 A 96 96 ARG C C 96 176.839 177.452 -0.613 1
1 1173 . 18 1 1 A 96 96 ARG CA C 96 56.831 58.166 -1.335 1
1 1174 . 18 1 1 A 96 96 ARG CB C 96 30.952 29.302 1.650 1
1 1177 . 18 1 1 A 96 96 ARG N N 96 121.064 117.417 3.647 1
1 1179 . 18 1 1 A 97 97 GLU H H 97 8.356 8.125 0.231 1
1 1180 . 18 1 1 A 97 97 GLU HA H 97 4.220 4.156 0.064 1
1 1185 . 18 1 1 A 97 97 GLU C C 97 176.319 179.517 -3.198 1
1 1186 . 18 1 1 A 97 97 GLU CA C 97 57.408 59.102 -1.694 1
1 1187 . 18 1 1 A 97 97 GLU CB C 97 28.610 28.878 -0.268 1
1 1189 . 18 1 1 A 97 97 GLU N N 97 121.754 118.857 2.897 1
1 1190 . 18 1 1 A 98 98 GLU H H 98 8.328 8.121 0.207 1
1 1191 . 18 1 1 A 98 98 GLU HA H 98 4.240 4.148 0.092 1
1 1196 . 18 1 1 A 98 98 GLU C C 98 176.132 179.057 -2.925 1
1 1197 . 18 1 1 A 98 98 GLU CA C 98 57.666 59.259 -1.593 1
1 1198 . 18 1 1 A 98 98 GLU CB C 98 30.045 29.662 0.383 1
1 1200 . 18 1 1 A 98 98 GLU N N 98 121.414 120.808 0.606 1
1 1201 . 18 1 1 A 99 99 GLU H H 99 8.418 8.005 0.413 1
1 1202 . 18 1 1 A 99 99 GLU HA H 99 4.299 4.094 0.205 1
1 1207 . 18 1 1 A 99 99 GLU C C 99 177.021 179.859 -2.838 1
1 1208 . 18 1 1 A 99 99 GLU CA C 99 57.397 59.178 -1.781 1
1 1209 . 18 1 1 A 99 99 GLU CB C 99 30.309 29.201 1.108 1
1 1211 . 18 1 1 A 99 99 GLU N N 99 121.312 120.698 0.614 1
1 1212 . 18 1 1 A 100 100 ARG H H 100 8.013 8.003 0.010 1
1 1213 . 18 1 1 A 100 100 ARG HA H 100 4.180 4.089 0.091 1
1 1225 . 18 1 1 A 100 100 ARG C C 100 176.313 178.710 -2.397 1
1 1226 . 18 1 1 A 100 100 ARG CA C 100 57.238 58.873 -1.635 1
1 1227 . 18 1 1 A 100 100 ARG CB C 100 30.298 29.676 0.622 1
1 1230 . 18 1 1 A 100 100 ARG N N 100 121.871 121.057 0.814 1
1 1232 . 18 1 1 A 101 101 ARG H H 101 8.260 7.589 0.671 1
1 1233 . 18 1 1 A 101 101 ARG HA H 101 4.260 4.295 -0.035 1
1 1245 . 18 1 1 A 101 101 ARG C C 101 176.753 176.916 -0.163 1
1 1246 . 18 1 1 A 101 101 ARG CA C 101 56.492 56.132 0.360 1
1 1247 . 18 1 1 A 101 101 ARG CB C 101 30.838 31.025 -0.187 1
1 1250 . 18 1 1 A 101 101 ARG N N 101 122.019 115.588 6.431 1
1 1252 . 18 1 1 A 102 102 GLY H H 102 8.380 7.689 0.691 1
1 1253 . 18 1 1 A 102 102 GLY HA2 H 102 3.849 3.931 -0.082 1
1 1254 . 18 1 1 A 102 102 GLY HA3 H 102 3.849 3.936 -0.087 1
1 1255 . 18 1 1 A 102 102 GLY C C 102 173.145 174.316 -1.171 1
1 1256 . 18 1 1 A 102 102 GLY CA C 102 45.401 45.652 -0.251 1
1 1257 . 18 1 1 A 102 102 GLY N N 102 110.110 107.500 2.610 1
1 9 . 19 1 1 A 2 2 ALA H H 2 8.742 7.819 0.923 1
1 10 . 19 1 1 A 2 2 ALA HA H 2 4.302 4.189 0.113 1
1 14 . 19 1 1 A 2 2 ALA C C 2 177.216 177.698 -0.482 1
1 15 . 19 1 1 A 2 2 ALA CA C 2 52.876 52.921 -0.045 1
1 16 . 19 1 1 A 2 2 ALA CB C 2 19.182 19.909 -0.727 1
1 17 . 19 1 1 A 2 2 ALA N N 2 124.657 120.217 4.440 1
1 18 . 19 1 1 A 3 3 ASP H H 3 8.432 7.902 0.530 1
1 19 . 19 1 1 A 3 3 ASP HA H 3 4.530 4.137 0.393 1
1 22 . 19 1 1 A 3 3 ASP C C 3 176.023 176.561 -0.538 1
1 23 . 19 1 1 A 3 3 ASP CA C 3 53.721 56.094 -2.373 1
1 24 . 19 1 1 A 3 3 ASP CB C 3 38.752 38.411 0.341 1
1 25 . 19 1 1 A 3 3 ASP N N 3 118.729 113.568 5.161 1
1 26 . 19 1 1 A 4 4 HIS H H 4 8.549 7.918 0.631 1
1 27 . 19 1 1 A 4 4 HIS HA H 4 4.568 4.244 0.324 1
1 32 . 19 1 1 A 4 4 HIS C C 4 175.101 176.266 -1.165 1
1 33 . 19 1 1 A 4 4 HIS CA C 4 56.640 59.308 -2.668 1
1 34 . 19 1 1 A 4 4 HIS CB C 4 28.961 28.252 0.709 1
1 37 . 19 1 1 A 4 4 HIS N N 4 119.650 117.224 2.426 1
1 38 . 19 1 1 A 5 5 GLU H H 5 8.330 8.702 -0.372 1
1 39 . 19 1 1 A 5 5 GLU HA H 5 4.207 4.121 0.086 1
1 44 . 19 1 1 A 5 5 GLU C C 5 175.749 178.362 -2.613 1
1 45 . 19 1 1 A 5 5 GLU CA C 5 56.594 58.341 -1.747 1
1 46 . 19 1 1 A 5 5 GLU CB C 5 29.285 27.864 1.421 1
1 48 . 19 1 1 A 5 5 GLU N N 5 120.937 118.936 2.001 1
1 49 . 19 1 1 A 6 6 ARG H H 6 8.325 7.870 0.455 1
1 50 . 19 1 1 A 6 6 ARG HA H 6 4.571 4.115 0.456 1
1 62 . 19 1 1 A 6 6 ARG C C 6 177.578 178.832 -1.254 1
1 63 . 19 1 1 A 6 6 ARG CA C 6 56.716 59.376 -2.660 1
1 64 . 19 1 1 A 6 6 ARG CB C 6 30.744 30.191 0.553 1
1 67 . 19 1 1 A 6 6 ARG N N 6 120.267 118.943 1.324 1
1 69 . 19 1 1 A 7 7 GLU H H 7 8.136 8.185 -0.049 1
1 70 . 19 1 1 A 7 7 GLU HA H 7 4.165 4.065 0.100 1
1 75 . 19 1 1 A 7 7 GLU C C 7 177.156 178.547 -1.391 1
1 76 . 19 1 1 A 7 7 GLU CA C 7 57.125 59.426 -2.301 1
1 77 . 19 1 1 A 7 7 GLU CB C 7 30.149 29.299 0.850 1
1 79 . 19 1 1 A 7 7 GLU N N 7 121.008 119.292 1.716 1
1 80 . 19 1 1 A 8 8 ALA H H 8 8.325 8.264 0.061 1
1 81 . 19 1 1 A 8 8 ALA HA H 8 4.212 4.063 0.149 1
1 85 . 19 1 1 A 8 8 ALA C C 8 178.913 179.738 -0.825 1
1 86 . 19 1 1 A 8 8 ALA CA C 8 52.832 54.829 -1.997 1
1 87 . 19 1 1 A 8 8 ALA CB C 8 18.909 18.608 0.301 1
1 88 . 19 1 1 A 8 8 ALA N N 8 124.538 121.816 2.722 1
1 89 . 19 1 1 A 9 9 GLN H H 9 8.159 7.522 0.637 1
1 90 . 19 1 1 A 9 9 GLN HA H 9 4.140 4.091 0.049 1
1 97 . 19 1 1 A 9 9 GLN C C 9 175.771 178.612 -2.841 1
1 98 . 19 1 1 A 9 9 GLN CA C 9 57.655 58.034 -0.379 1
1 99 . 19 1 1 A 9 9 GLN CB C 9 28.606 28.184 0.422 1
1 101 . 19 1 1 A 9 9 GLN N N 9 124.103 117.863 6.240 1
1 103 . 19 1 1 A 10 10 LYS H H 10 8.148 7.854 0.294 1
1 104 . 19 1 1 A 10 10 LYS HA H 10 4.204 4.078 0.126 1
1 113 . 19 1 1 A 10 10 LYS C C 10 177.798 178.379 -0.581 1
1 114 . 19 1 1 A 10 10 LYS CA C 10 57.139 58.707 -1.568 1
1 115 . 19 1 1 A 10 10 LYS CB C 10 33.040 32.235 0.805 1
1 119 . 19 1 1 A 10 10 LYS N N 10 120.635 121.184 -0.549 1
1 120 . 19 1 1 A 11 11 ALA H H 11 8.148 7.975 0.173 1
1 121 . 19 1 1 A 11 11 ALA HA H 11 4.140 4.022 0.118 1
1 125 . 19 1 1 A 11 11 ALA C C 11 178.173 179.889 -1.716 1
1 126 . 19 1 1 A 11 11 ALA CA C 11 53.351 54.752 -1.401 1
1 127 . 19 1 1 A 11 11 ALA CB C 11 19.128 18.244 0.884 1
1 128 . 19 1 1 A 11 11 ALA N N 11 123.171 121.717 1.454 1
1 129 . 19 1 1 A 12 12 GLU H H 12 8.248 7.533 0.715 1
1 130 . 19 1 1 A 12 12 GLU HA H 12 4.222 3.973 0.249 1
1 135 . 19 1 1 A 12 12 GLU C C 12 176.385 179.224 -2.839 1
1 136 . 19 1 1 A 12 12 GLU CA C 12 57.442 59.358 -1.916 1
1 137 . 19 1 1 A 12 12 GLU CB C 12 30.001 29.186 0.815 1
1 139 . 19 1 1 A 12 12 GLU N N 12 119.451 118.208 1.243 1
1 140 . 19 1 1 A 13 13 GLU H H 13 8.372 7.836 0.536 1
1 141 . 19 1 1 A 13 13 GLU HA H 13 4.265 4.208 0.057 1
1 146 . 19 1 1 A 13 13 GLU C C 13 178.060 179.935 -1.875 1
1 147 . 19 1 1 A 13 13 GLU CA C 13 56.828 59.124 -2.296 1
1 148 . 19 1 1 A 13 13 GLU CB C 13 30.082 29.095 0.987 1
1 150 . 19 1 1 A 13 13 GLU N N 13 121.080 121.172 -0.092 1
1 151 . 19 1 1 A 14 14 GLU H H 14 8.152 7.773 0.379 1
1 152 . 19 1 1 A 14 14 GLU HA H 14 4.142 4.117 0.025 1
1 157 . 19 1 1 A 14 14 GLU C C 14 176.274 178.745 -2.471 1
1 158 . 19 1 1 A 14 14 GLU CA C 14 56.892 59.025 -2.133 1
1 159 . 19 1 1 A 14 14 GLU CB C 14 28.169 29.465 -1.296 1
1 161 . 19 1 1 A 14 14 GLU N N 14 120.236 120.484 -0.248 1
1 162 . 19 1 1 A 15 15 LEU H H 15 8.301 7.845 0.456 1
1 163 . 19 1 1 A 15 15 LEU HA H 15 4.224 4.007 0.217 1
1 173 . 19 1 1 A 15 15 LEU C C 15 177.983 178.875 -0.892 1
1 174 . 19 1 1 A 15 15 LEU CA C 15 56.344 57.661 -1.317 1
1 175 . 19 1 1 A 15 15 LEU CB C 15 42.250 41.236 1.014 1
1 179 . 19 1 1 A 15 15 LEU N N 15 123.072 121.155 1.917 1
1 180 . 19 1 1 A 16 16 GLN H H 16 8.132 7.926 0.206 1
1 181 . 19 1 1 A 16 16 GLN HA H 16 4.145 3.978 0.167 1
1 188 . 19 1 1 A 16 16 GLN C C 16 177.674 178.600 -0.926 1
1 189 . 19 1 1 A 16 16 GLN CA C 16 57.971 59.181 -1.210 1
1 190 . 19 1 1 A 16 16 GLN CB C 16 29.889 28.177 1.712 1
1 192 . 19 1 1 A 16 16 GLN N N 16 119.160 117.596 1.564 1
1 194 . 19 1 1 A 17 17 LYS H H 17 8.214 7.336 0.878 1
1 195 . 19 1 1 A 17 17 LYS HA H 17 4.140 4.177 -0.037 1
1 204 . 19 1 1 A 17 17 LYS C C 17 177.646 178.838 -1.192 1
1 205 . 19 1 1 A 17 17 LYS CA C 17 57.115 58.917 -1.802 1
1 206 . 19 1 1 A 17 17 LYS CB C 17 32.833 32.458 0.375 1
1 210 . 19 1 1 A 17 17 LYS N N 17 120.310 121.294 -0.984 1
1 211 . 19 1 1 A 18 18 VAL H H 18 7.871 7.459 0.412 1
1 212 . 19 1 1 A 18 18 VAL HA H 18 4.108 3.587 0.521 1
1 220 . 19 1 1 A 18 18 VAL C C 18 177.476 177.997 -0.521 1
1 221 . 19 1 1 A 18 18 VAL CA C 18 63.634 66.163 -2.529 1
1 222 . 19 1 1 A 18 18 VAL CB C 18 31.886 31.399 0.487 1
1 225 . 19 1 1 A 18 18 VAL N N 18 120.571 120.101 0.470 1
1 226 . 19 1 1 A 19 19 LEU H H 19 8.180 8.214 -0.034 1
1 227 . 19 1 1 A 19 19 LEU HA H 19 4.042 3.932 0.110 1
1 237 . 19 1 1 A 19 19 LEU C C 19 179.462 179.711 -0.249 1
1 238 . 19 1 1 A 19 19 LEU CA C 19 57.653 58.261 -0.608 1
1 239 . 19 1 1 A 19 19 LEU CB C 19 41.800 41.082 0.718 1
1 243 . 19 1 1 A 19 19 LEU N N 19 122.936 120.337 2.599 1
1 244 . 19 1 1 A 20 20 GLU H H 20 8.122 7.835 0.287 1
1 245 . 19 1 1 A 20 20 GLU HA H 20 4.156 3.995 0.161 1
1 250 . 19 1 1 A 20 20 GLU C C 20 178.001 179.325 -1.324 1
1 251 . 19 1 1 A 20 20 GLU CA C 20 58.045 59.774 -1.729 1
1 252 . 19 1 1 A 20 20 GLU CB C 20 30.092 29.146 0.946 1
1 254 . 19 1 1 A 20 20 GLU N N 20 118.745 118.019 0.726 1
1 255 . 19 1 1 A 21 21 GLU H H 21 8.190 7.995 0.195 1
1 256 . 19 1 1 A 21 21 GLU HA H 21 4.144 4.048 0.096 1
1 261 . 19 1 1 A 21 21 GLU C C 21 177.290 179.152 -1.862 1
1 262 . 19 1 1 A 21 21 GLU CA C 21 58.109 59.005 -0.896 1
1 263 . 19 1 1 A 21 21 GLU CB C 21 29.868 29.491 0.377 1
1 265 . 19 1 1 A 21 21 GLU N N 21 119.542 120.460 -0.918 1
1 266 . 19 1 1 A 22 22 ALA H H 22 8.092 8.912 -0.820 1
1 267 . 19 1 1 A 22 22 ALA HA H 22 4.173 4.162 0.011 1
1 271 . 19 1 1 A 22 22 ALA C C 22 179.020 180.057 -1.037 1
1 272 . 19 1 1 A 22 22 ALA CA C 22 53.944 55.247 -1.303 1
1 273 . 19 1 1 A 22 22 ALA CB C 22 18.578 18.266 0.312 1
1 274 . 19 1 1 A 22 22 ALA N N 22 123.378 123.418 -0.040 1
1 275 . 19 1 1 A 23 23 SER H H 23 8.079 8.322 -0.243 1
1 276 . 19 1 1 A 23 23 SER HA H 23 4.300 4.307 -0.007 1
1 279 . 19 1 1 A 23 23 SER C C 23 173.125 176.802 -3.677 1
1 280 . 19 1 1 A 23 23 SER CA C 23 59.414 61.558 -2.144 1
1 281 . 19 1 1 A 23 23 SER CB C 23 63.520 62.592 0.928 1
1 282 . 19 1 1 A 23 23 SER N N 23 114.637 113.105 1.532 1
1 283 . 19 1 1 A 24 24 LYS H H 24 8.032 7.615 0.417 1
1 284 . 19 1 1 A 24 24 LYS HA H 24 4.325 4.183 0.142 1
1 293 . 19 1 1 A 24 24 LYS C C 24 175.423 179.054 -3.631 1
1 294 . 19 1 1 A 24 24 LYS CA C 24 57.273 59.383 -2.110 1
1 295 . 19 1 1 A 24 24 LYS CB C 24 31.200 32.084 -0.884 1
1 299 . 19 1 1 A 24 24 LYS N N 24 122.635 121.542 1.093 1
1 300 . 19 1 1 A 25 25 LYS H H 25 8.042 8.132 -0.090 1
1 301 . 19 1 1 A 25 25 LYS HA H 25 4.169 4.112 0.057 1
1 310 . 19 1 1 A 25 25 LYS C C 25 177.025 179.167 -2.142 1
1 311 . 19 1 1 A 25 25 LYS CA C 25 56.876 59.529 -2.653 1
1 312 . 19 1 1 A 25 25 LYS CB C 25 31.200 32.429 -1.229 1
1 316 . 19 1 1 A 25 25 LYS N N 25 121.079 119.254 1.825 1
1 317 . 19 1 1 A 26 26 ALA H H 26 8.103 8.764 -0.661 1
1 318 . 19 1 1 A 26 26 ALA HA H 26 4.196 4.001 0.195 1
1 322 . 19 1 1 A 26 26 ALA C C 26 178.418 179.935 -1.517 1
1 323 . 19 1 1 A 26 26 ALA CA C 26 53.049 55.146 -2.097 1
1 324 . 19 1 1 A 26 26 ALA CB C 26 19.055 18.509 0.546 1
1 325 . 19 1 1 A 26 26 ALA N N 26 124.589 122.326 2.263 1
1 326 . 19 1 1 A 27 27 VAL H H 27 8.030 8.151 -0.121 1
1 327 . 19 1 1 A 27 27 VAL HA H 27 3.945 3.770 0.175 1
1 335 . 19 1 1 A 27 27 VAL C C 27 179.177 177.535 1.642 1
1 336 . 19 1 1 A 27 27 VAL CA C 27 63.001 64.839 -1.838 1
1 337 . 19 1 1 A 27 27 VAL CB C 27 32.449 31.287 1.162 1
1 340 . 19 1 1 A 27 27 VAL N N 27 119.340 117.009 2.331 1
1 341 . 19 1 1 A 28 28 GLU H H 28 8.187 7.758 0.429 1
1 342 . 19 1 1 A 28 28 GLU HA H 28 4.166 4.073 0.093 1
1 347 . 19 1 1 A 28 28 GLU C C 28 176.411 178.564 -2.153 1
1 348 . 19 1 1 A 28 28 GLU CA C 28 57.290 59.079 -1.789 1
1 349 . 19 1 1 A 28 28 GLU CB C 28 30.025 29.245 0.780 1
1 351 . 19 1 1 A 28 28 GLU N N 28 120.351 121.186 -0.835 1
1 352 . 19 1 1 A 29 29 ALA H H 29 8.173 8.616 -0.443 1
1 353 . 19 1 1 A 29 29 ALA HA H 29 4.230 4.021 0.209 1
1 357 . 19 1 1 A 29 29 ALA C C 29 176.924 179.104 -2.180 1
1 358 . 19 1 1 A 29 29 ALA CA C 29 53.338 55.472 -2.134 1
1 359 . 19 1 1 A 29 29 ALA CB C 29 18.964 18.266 0.698 1
1 360 . 19 1 1 A 29 29 ALA N N 29 124.463 121.936 2.527 1
1 361 . 19 1 1 A 30 30 GLU H H 30 8.239 8.488 -0.249 1
1 362 . 19 1 1 A 30 30 GLU HA H 30 4.251 3.979 0.272 1
1 367 . 19 1 1 A 30 30 GLU C C 30 175.016 177.328 -2.312 1
1 368 . 19 1 1 A 30 30 GLU CA C 30 58.033 59.021 -0.988 1
1 369 . 19 1 1 A 30 30 GLU CB C 30 29.996 29.510 0.486 1
1 371 . 19 1 1 A 30 30 GLU N N 30 122.971 118.815 4.156 1
1 372 . 19 1 1 A 31 31 ARG H H 31 8.261 7.786 0.475 1
1 373 . 19 1 1 A 31 31 ARG HA H 31 4.255 4.142 0.113 1
1 385 . 19 1 1 A 31 31 ARG C C 31 176.727 177.053 -0.326 1
1 386 . 19 1 1 A 31 31 ARG CA C 31 56.565 57.919 -1.354 1
1 387 . 19 1 1 A 31 31 ARG CB C 31 30.783 29.701 1.082 1
1 390 . 19 1 1 A 31 31 ARG N N 31 121.894 117.419 4.475 1
1 392 . 19 1 1 A 32 32 GLY H H 32 8.302 8.848 -0.546 1
1 393 . 19 1 1 A 32 32 GLY HA2 H 32 3.852 4.004 -0.152 1
1 394 . 19 1 1 A 32 32 GLY HA3 H 32 3.852 4.005 -0.153 1
1 395 . 19 1 1 A 32 32 GLY C C 32 173.994 174.786 -0.792 1
1 396 . 19 1 1 A 32 32 GLY CA C 32 45.077 45.054 0.023 1
1 397 . 19 1 1 A 32 32 GLY N N 32 109.773 112.561 -2.788 1
1 398 . 19 1 1 A 33 33 ALA H H 33 8.011 8.073 -0.062 1
1 399 . 19 1 1 A 33 33 ALA HA H 33 4.212 4.583 -0.371 1
1 403 . 19 1 1 A 33 33 ALA CA C 33 50.522 50.668 -0.146 1
1 404 . 19 1 1 A 33 33 ALA CB C 33 18.962 19.709 -0.747 1
1 405 . 19 1 1 A 33 33 ALA N N 33 123.601 123.653 -0.052 1
1 406 . 19 1 1 A 34 34 PRO HA H 34 4.352 4.295 0.057 1
1 413 . 19 1 1 A 34 34 PRO C C 34 177.746 177.398 0.348 1
1 414 . 19 1 1 A 34 34 PRO CA C 34 63.520 63.690 -0.170 1
1 415 . 19 1 1 A 34 34 PRO CB C 34 31.938 31.816 0.122 1
1 418 . 19 1 1 A 35 35 GLY H H 35 8.433 8.809 -0.376 1
1 419 . 19 1 1 A 35 35 GLY HA2 H 35 3.848 3.957 -0.109 1
1 420 . 19 1 1 A 35 35 GLY HA3 H 35 3.848 3.964 -0.116 1
1 421 . 19 1 1 A 35 35 GLY C C 35 173.266 174.720 -1.454 1
1 422 . 19 1 1 A 35 35 GLY CA C 35 45.405 45.710 -0.305 1
1 423 . 19 1 1 A 35 35 GLY N N 35 109.298 111.520 -2.222 1
1 424 . 19 1 1 A 36 36 ALA H H 36 8.095 7.940 0.155 1
1 425 . 19 1 1 A 36 36 ALA HA H 36 4.196 4.201 -0.005 1
1 429 . 19 1 1 A 36 36 ALA C C 36 177.944 177.202 0.742 1
1 430 . 19 1 1 A 36 36 ALA CA C 36 52.551 52.610 -0.059 1
1 431 . 19 1 1 A 36 36 ALA CB C 36 19.485 19.188 0.297 1
1 432 . 19 1 1 A 36 36 ALA N N 36 124.605 122.720 1.885 1
1 433 . 19 1 1 A 37 37 ALA H H 37 8.199 9.002 -0.803 1
1 434 . 19 1 1 A 37 37 ALA HA H 37 4.491 4.237 0.254 1
1 438 . 19 1 1 A 37 37 ALA C C 37 177.456 177.602 -0.146 1
1 439 . 19 1 1 A 37 37 ALA CA C 37 52.453 53.695 -1.242 1
1 440 . 19 1 1 A 37 37 ALA CB C 37 19.060 19.538 -0.478 1
1 441 . 19 1 1 A 37 37 ALA N N 37 123.695 126.570 -2.875 1
1 442 . 19 1 1 A 38 38 LEU H H 38 8.099 7.835 0.264 1
1 443 . 19 1 1 A 38 38 LEU HA H 38 4.243 4.147 0.096 1
1 453 . 19 1 1 A 38 38 LEU C C 38 177.358 177.302 0.056 1
1 454 . 19 1 1 A 38 38 LEU CA C 38 55.218 53.731 1.487 1
1 455 . 19 1 1 A 38 38 LEU CB C 38 42.228 40.296 1.932 1
1 459 . 19 1 1 A 38 38 LEU N N 38 121.531 117.534 3.997 1
1 460 . 19 1 1 A 39 39 ILE H H 39 7.966 7.712 0.254 1
1 461 . 19 1 1 A 39 39 ILE HA H 39 4.136 4.141 -0.005 1
1 471 . 19 1 1 A 39 39 ILE C C 39 175.586 175.750 -0.164 1
1 472 . 19 1 1 A 39 39 ILE CA C 39 60.873 61.854 -0.981 1
1 473 . 19 1 1 A 39 39 ILE CB C 39 38.727 37.871 0.856 1
1 477 . 19 1 1 A 39 39 ILE N N 39 121.669 122.998 -1.329 1
1 478 . 19 1 1 A 40 40 SER H H 40 8.101 7.700 0.401 1
1 479 . 19 1 1 A 40 40 SER HA H 40 4.347 4.794 -0.447 1
1 482 . 19 1 1 A 40 40 SER C C 40 173.336 174.155 -0.819 1
1 483 . 19 1 1 A 40 40 SER CA C 40 57.331 57.913 -0.582 1
1 484 . 19 1 1 A 40 40 SER CB C 40 63.983 64.377 -0.394 1
1 485 . 19 1 1 A 40 40 SER N N 40 119.591 117.972 1.619 1
1 486 . 19 1 1 A 41 41 TYR H H 41 8.100 9.123 -1.023 1
1 487 . 19 1 1 A 41 41 TYR HA H 41 4.436 4.245 0.191 1
1 494 . 19 1 1 A 41 41 TYR CA C 41 56.067 62.756 -6.689 1
1 495 . 19 1 1 A 41 41 TYR CB C 41 38.244 37.237 1.007 1
1 496 . 19 1 1 A 41 41 TYR N N 41 122.744 126.785 -4.041 1
1 497 . 19 1 1 A 42 42 PRO HA H 42 4.281 4.010 0.271 1
1 504 . 19 1 1 A 42 42 PRO C C 42 176.765 176.655 0.110 1
1 505 . 19 1 1 A 42 42 PRO CA C 42 63.650 64.271 -0.621 1
1 506 . 19 1 1 A 42 42 PRO CB C 42 30.513 31.303 -0.790 1
1 509 . 19 1 1 A 43 43 ASP H H 43 8.305 8.346 -0.041 1
1 510 . 19 1 1 A 43 43 ASP HA H 43 4.548 4.650 -0.102 1
1 513 . 19 1 1 A 43 43 ASP C C 43 175.135 177.680 -2.545 1
1 514 . 19 1 1 A 43 43 ASP CA C 43 53.570 54.354 -0.784 1
1 515 . 19 1 1 A 43 43 ASP CB C 43 38.450 41.210 -2.760 1
1 516 . 19 1 1 A 43 43 ASP N N 43 118.052 117.960 0.092 1
1 517 . 19 1 1 A 44 44 ALA H H 44 8.013 8.035 -0.022 1
1 518 . 19 1 1 A 44 44 ALA HA H 44 4.106 4.125 -0.019 1
1 522 . 19 1 1 A 44 44 ALA C C 44 177.969 180.181 -2.212 1
1 523 . 19 1 1 A 44 44 ALA CA C 44 52.867 55.049 -2.182 1
1 524 . 19 1 1 A 44 44 ALA CB C 44 19.023 18.671 0.352 1
1 525 . 19 1 1 A 44 44 ALA N N 44 123.344 121.281 2.063 1
1 526 . 19 1 1 A 45 45 ILE H H 45 7.860 8.160 -0.300 1
1 527 . 19 1 1 A 45 45 ILE HA H 45 3.855 3.943 -0.088 1
1 537 . 19 1 1 A 45 45 ILE C C 45 176.287 178.052 -1.765 1
1 538 . 19 1 1 A 45 45 ILE CA C 45 61.465 63.399 -1.934 1
1 539 . 19 1 1 A 45 45 ILE CB C 45 38.294 37.775 0.519 1
1 543 . 19 1 1 A 45 45 ILE N N 45 118.636 119.461 -0.825 1
1 544 . 19 1 1 A 46 46 TRP H H 46 7.646 8.291 -0.645 1
1 545 . 19 1 1 A 46 46 TRP HA H 46 4.504 4.256 0.248 1
1 554 . 19 1 1 A 46 46 TRP C C 46 176.136 178.272 -2.136 1
1 555 . 19 1 1 A 46 46 TRP CA C 46 57.139 61.662 -4.523 1
1 556 . 19 1 1 A 46 46 TRP CB C 46 28.880 29.716 -0.836 1
1 558 . 19 1 1 A 46 46 TRP N N 46 122.947 123.473 -0.526 1
1 560 . 19 1 1 A 47 47 TRP H H 47 7.502 8.013 -0.511 1
1 561 . 19 1 1 A 47 47 TRP HA H 47 4.482 4.294 0.188 1
1 570 . 19 1 1 A 47 47 TRP C C 47 176.149 178.176 -2.027 1
1 571 . 19 1 1 A 47 47 TRP CA C 47 57.197 61.124 -3.927 1
1 572 . 19 1 1 A 47 47 TRP CB C 47 29.703 29.560 0.143 1
1 573 . 19 1 1 A 47 47 TRP N N 47 120.943 121.594 -0.651 1
1 575 . 19 1 1 A 48 48 SER H H 48 7.861 8.279 -0.418 1
1 576 . 19 1 1 A 48 48 SER HA H 48 4.258 3.971 0.287 1
1 579 . 19 1 1 A 48 48 SER C C 48 174.600 177.293 -2.693 1
1 580 . 19 1 1 A 48 48 SER CA C 48 57.844 61.822 -3.978 1
1 581 . 19 1 1 A 48 48 SER CB C 48 64.102 63.089 1.013 1
1 582 . 19 1 1 A 48 48 SER N N 48 116.339 114.529 1.810 1
1 583 . 19 1 1 A 49 49 VAL H H 49 7.921 7.940 -0.019 1
1 584 . 19 1 1 A 49 49 VAL HA H 49 3.990 3.419 0.571 1
1 592 . 19 1 1 A 49 49 VAL C C 49 176.402 177.706 -1.304 1
1 593 . 19 1 1 A 49 49 VAL CA C 49 62.909 66.752 -3.843 1
1 594 . 19 1 1 A 49 49 VAL CB C 49 32.467 31.339 1.128 1
1 597 . 19 1 1 A 49 49 VAL N N 49 121.079 121.136 -0.057 1
1 598 . 19 1 1 A 50 50 GLU H H 50 8.229 8.280 -0.051 1
1 599 . 19 1 1 A 50 50 GLU HA H 50 4.307 4.317 -0.010 1
1 604 . 19 1 1 A 50 50 GLU C C 50 176.506 178.197 -1.691 1
1 605 . 19 1 1 A 50 50 GLU CA C 50 57.040 58.387 -1.347 1
1 606 . 19 1 1 A 50 50 GLU CB C 50 30.123 28.278 1.845 1
1 608 . 19 1 1 A 50 50 GLU N N 50 122.433 119.216 3.217 1
1 609 . 19 1 1 A 51 51 THR H H 51 7.993 7.573 0.420 1
1 610 . 19 1 1 A 51 51 THR HA H 51 4.248 3.681 0.567 1
1 615 . 19 1 1 A 51 51 THR C C 51 174.430 176.656 -2.226 1
1 616 . 19 1 1 A 51 51 THR CA C 51 62.227 66.267 -4.040 1
1 617 . 19 1 1 A 51 51 THR CB C 51 69.712 68.077 1.635 1
1 619 . 19 1 1 A 51 51 THR N N 51 114.413 116.188 -1.775 1
1 620 . 19 1 1 A 52 52 ALA H H 52 8.160 7.592 0.568 1
1 621 . 19 1 1 A 52 52 ALA HA H 52 4.212 4.139 0.073 1
1 625 . 19 1 1 A 52 52 ALA C C 52 177.976 178.145 -0.169 1
1 626 . 19 1 1 A 52 52 ALA CA C 52 53.069 54.276 -1.207 1
1 627 . 19 1 1 A 52 52 ALA CB C 52 19.178 18.269 0.909 1
1 628 . 19 1 1 A 52 52 ALA N N 52 125.641 123.165 2.476 1
1 629 . 19 1 1 A 53 53 THR H H 53 8.022 7.618 0.404 1
1 630 . 19 1 1 A 53 53 THR HA H 53 4.231 4.553 -0.322 1
1 635 . 19 1 1 A 53 53 THR C C 53 174.750 174.208 0.542 1
1 636 . 19 1 1 A 53 53 THR CA C 53 62.231 61.350 0.881 1
1 637 . 19 1 1 A 53 53 THR CB C 53 69.726 68.695 1.031 1
1 639 . 19 1 1 A 53 53 THR N N 53 112.100 107.197 4.903 1
1 640 . 19 1 1 A 54 54 THR H H 54 7.999 8.080 -0.081 1
1 641 . 19 1 1 A 54 54 THR HA H 54 4.303 3.970 0.333 1
1 646 . 19 1 1 A 54 54 THR C C 54 174.592 174.380 0.212 1
1 647 . 19 1 1 A 54 54 THR CA C 54 62.002 63.265 -1.263 1
1 648 . 19 1 1 A 54 54 THR CB C 54 69.793 66.628 3.165 1
1 650 . 19 1 1 A 54 54 THR N N 54 116.238 114.430 1.808 1
1 651 . 19 1 1 A 55 55 VAL H H 55 8.098 7.417 0.681 1
1 652 . 19 1 1 A 55 55 VAL HA H 55 4.017 4.134 -0.117 1
1 660 . 19 1 1 A 55 55 VAL C C 55 176.453 176.144 0.309 1
1 661 . 19 1 1 A 55 55 VAL CA C 55 62.650 64.489 -1.839 1
1 662 . 19 1 1 A 55 55 VAL CB C 55 32.524 32.904 -0.380 1
1 665 . 19 1 1 A 55 55 VAL N N 55 122.445 121.683 0.762 1
1 666 . 19 1 1 A 56 56 GLY H H 56 8.308 7.903 0.405 1
1 667 . 19 1 1 A 56 56 GLY HA2 H 56 3.839 3.915 -0.076 1
1 668 . 19 1 1 A 56 56 GLY HA3 H 56 4.019 3.921 0.098 1
1 669 . 19 1 1 A 56 56 GLY C C 56 173.958 174.552 -0.594 1
1 670 . 19 1 1 A 56 56 GLY CA C 56 45.216 46.780 -1.564 1
1 671 . 19 1 1 A 56 56 GLY N N 56 112.118 108.995 3.123 1
1 672 . 19 1 1 A 57 57 TYR H H 57 8.051 8.318 -0.267 1
1 673 . 19 1 1 A 57 57 TYR HA H 57 4.402 4.539 -0.137 1
1 680 . 19 1 1 A 57 57 TYR C C 57 176.557 175.531 1.026 1
1 681 . 19 1 1 A 57 57 TYR CA C 57 58.251 59.305 -1.054 1
1 682 . 19 1 1 A 57 57 TYR CB C 57 38.935 38.681 0.254 1
1 683 . 19 1 1 A 57 57 TYR N N 57 120.259 120.331 -0.072 1
1 684 . 19 1 1 A 58 58 GLY H H 58 8.335 8.065 0.270 1
1 685 . 19 1 1 A 58 58 GLY HA2 H 58 3.801 4.139 -0.338 1
1 686 . 19 1 1 A 58 58 GLY HA3 H 58 3.801 4.185 -0.384 1
1 687 . 19 1 1 A 58 58 GLY C C 58 173.911 174.828 -0.917 1
1 688 . 19 1 1 A 58 58 GLY CA C 58 45.311 45.654 -0.343 1
1 689 . 19 1 1 A 58 58 GLY N N 58 110.220 107.709 2.511 1
1 690 . 19 1 1 A 59 59 ASP H H 59 8.161 8.148 0.013 1
1 691 . 19 1 1 A 59 59 ASP HA H 59 4.581 4.466 0.115 1
1 694 . 19 1 1 A 59 59 ASP C C 59 175.189 175.626 -0.437 1
1 695 . 19 1 1 A 59 59 ASP CA C 59 53.570 56.742 -3.172 1
1 696 . 19 1 1 A 59 59 ASP CB C 59 38.750 42.187 -3.437 1
1 697 . 19 1 1 A 59 59 ASP N N 59 118.765 121.850 -3.085 1
1 698 . 19 1 1 A 60 60 ARG H H 60 8.086 7.905 0.181 1
1 699 . 19 1 1 A 60 60 ARG HA H 60 4.152 4.492 -0.340 1
1 711 . 19 1 1 A 60 60 ARG C C 60 176.603 174.566 2.037 1
1 712 . 19 1 1 A 60 60 ARG CA C 60 56.825 54.218 2.607 1
1 713 . 19 1 1 A 60 60 ARG CB C 60 30.935 34.949 -4.014 1
1 716 . 19 1 1 A 60 60 ARG N N 60 120.762 117.100 3.662 1
1 718 . 19 1 1 A 61 61 TYR H H 61 8.117 8.345 -0.228 1
1 719 . 19 1 1 A 61 61 TYR HA H 61 4.488 5.370 -0.882 1
1 726 . 19 1 1 A 61 61 TYR CA C 61 56.688 55.767 0.921 1
1 727 . 19 1 1 A 61 61 TYR CB C 61 39.582 40.415 -0.833 1
1 728 . 19 1 1 A 61 61 TYR N N 61 121.714 118.655 3.059 1
1 729 . 19 1 1 A 62 62 PRO HA H 62 4.383 4.539 -0.156 1
1 736 . 19 1 1 A 62 62 PRO C C 62 177.441 175.753 1.688 1
1 737 . 19 1 1 A 62 62 PRO CA C 62 63.212 62.269 0.943 1
1 738 . 19 1 1 A 62 62 PRO CB C 62 31.939 33.339 -1.400 1
1 741 . 19 1 1 A 63 63 VAL H H 63 8.217 8.366 -0.149 1
1 742 . 19 1 1 A 63 63 VAL HA H 63 4.164 4.551 -0.387 1
1 750 . 19 1 1 A 63 63 VAL C C 63 176.576 174.740 1.836 1
1 751 . 19 1 1 A 63 63 VAL CA C 63 62.382 60.501 1.881 1
1 752 . 19 1 1 A 63 63 VAL CB C 63 32.862 33.645 -0.783 1
1 755 . 19 1 1 A 63 63 VAL N N 63 120.316 120.468 -0.152 1
1 756 . 19 1 1 A 64 64 THR H H 64 8.084 8.268 -0.184 1
1 757 . 19 1 1 A 64 64 THR HA H 64 4.313 4.276 0.037 1
1 762 . 19 1 1 A 64 64 THR C C 64 174.558 175.613 -1.055 1
1 763 . 19 1 1 A 64 64 THR CA C 64 62.606 64.653 -2.047 1
1 764 . 19 1 1 A 64 64 THR CB C 64 70.496 69.548 0.948 1
1 766 . 19 1 1 A 64 64 THR N N 64 116.779 118.136 -1.357 1
1 767 . 19 1 1 A 65 65 GLU H H 65 8.404 7.939 0.465 1
1 768 . 19 1 1 A 65 65 GLU HA H 65 4.314 4.120 0.194 1
1 773 . 19 1 1 A 65 65 GLU C C 65 175.016 178.693 -3.677 1
1 774 . 19 1 1 A 65 65 GLU CA C 65 57.750 59.034 -1.284 1
1 775 . 19 1 1 A 65 65 GLU CB C 65 30.083 29.213 0.870 1
1 777 . 19 1 1 A 65 65 GLU N N 65 122.323 121.381 0.942 1
1 778 . 19 1 1 A 66 66 GLU H H 66 8.397 7.919 0.478 1
1 779 . 19 1 1 A 66 66 GLU HA H 66 4.224 4.398 -0.174 1
1 784 . 19 1 1 A 66 66 GLU C C 66 176.855 177.075 -0.220 1
1 785 . 19 1 1 A 66 66 GLU CA C 66 58.023 56.411 1.612 1
1 786 . 19 1 1 A 66 66 GLU CB C 66 29.857 30.462 -0.605 1
1 788 . 19 1 1 A 66 66 GLU N N 66 122.201 115.339 6.862 1
1 789 . 19 1 1 A 67 67 GLY H H 67 8.376 7.660 0.716 1
1 790 . 19 1 1 A 67 67 GLY HA2 H 67 3.834 4.008 -0.174 1
1 791 . 19 1 1 A 67 67 GLY HA3 H 67 3.834 4.009 -0.175 1
1 792 . 19 1 1 A 67 67 GLY C C 67 173.071 175.111 -2.040 1
1 793 . 19 1 1 A 67 67 GLY CA C 67 45.871 46.295 -0.424 1
1 794 . 19 1 1 A 67 67 GLY N N 67 109.499 108.355 1.144 1
1 795 . 19 1 1 A 68 68 ARG H H 68 8.011 8.135 -0.124 1
1 796 . 19 1 1 A 68 68 ARG HA H 68 4.482 4.303 0.179 1
1 808 . 19 1 1 A 68 68 ARG C C 68 177.494 178.046 -0.552 1
1 809 . 19 1 1 A 68 68 ARG CA C 68 57.574 58.992 -1.418 1
1 810 . 19 1 1 A 68 68 ARG CB C 68 30.325 29.963 0.362 1
1 813 . 19 1 1 A 68 68 ARG N N 68 122.501 121.703 0.798 1
1 815 . 19 1 1 A 69 69 LYS H H 69 7.986 8.273 -0.287 1
1 816 . 19 1 1 A 69 69 LYS HA H 69 4.150 4.063 0.087 1
1 825 . 19 1 1 A 69 69 LYS C C 69 178.168 179.103 -0.935 1
1 826 . 19 1 1 A 69 69 LYS CA C 69 57.781 59.015 -1.234 1
1 827 . 19 1 1 A 69 69 LYS CB C 69 32.705 32.301 0.404 1
1 831 . 19 1 1 A 69 69 LYS N N 69 120.934 118.521 2.413 1
1 832 . 19 1 1 A 70 70 VAL H H 70 7.848 8.410 -0.562 1
1 833 . 19 1 1 A 70 70 VAL HA H 70 4.088 3.680 0.408 1
1 841 . 19 1 1 A 70 70 VAL C C 70 175.998 178.133 -2.135 1
1 842 . 19 1 1 A 70 70 VAL CA C 70 64.206 66.255 -2.049 1
1 843 . 19 1 1 A 70 70 VAL CB C 70 31.873 31.762 0.111 1
1 846 . 19 1 1 A 70 70 VAL N N 70 120.324 120.061 0.263 1
1 847 . 19 1 1 A 71 71 ALA H H 71 8.300 8.167 0.133 1
1 848 . 19 1 1 A 71 71 ALA HA H 71 4.221 4.119 0.102 1
1 852 . 19 1 1 A 71 71 ALA C C 71 178.225 180.219 -1.994 1
1 853 . 19 1 1 A 71 71 ALA CA C 71 53.106 55.965 -2.859 1
1 854 . 19 1 1 A 71 71 ALA CB C 71 19.128 18.463 0.665 1
1 855 . 19 1 1 A 71 71 ALA N N 71 127.025 122.400 4.625 1
1 856 . 19 1 1 A 72 72 GLU H H 72 8.181 7.915 0.266 1
1 857 . 19 1 1 A 72 72 GLU HA H 72 4.219 3.995 0.224 1
1 862 . 19 1 1 A 72 72 GLU C C 72 176.779 178.859 -2.080 1
1 863 . 19 1 1 A 72 72 GLU CA C 72 56.776 59.735 -2.959 1
1 864 . 19 1 1 A 72 72 GLU CB C 72 28.610 29.323 -0.713 1
1 866 . 19 1 1 A 72 72 GLU N N 72 123.008 118.209 4.799 1
1 867 . 19 1 1 A 73 73 GLN H H 73 8.132 7.982 0.150 1
1 868 . 19 1 1 A 73 73 GLN HA H 73 4.141 4.159 -0.018 1
1 875 . 19 1 1 A 73 73 GLN C C 73 175.803 178.702 -2.899 1
1 876 . 19 1 1 A 73 73 GLN CA C 73 56.456 58.601 -2.145 1
1 877 . 19 1 1 A 73 73 GLN CB C 73 28.290 28.367 -0.077 1
1 879 . 19 1 1 A 73 73 GLN N N 73 120.564 120.056 0.508 1
1 881 . 19 1 1 A 74 74 VAL H H 74 8.088 7.581 0.507 1
1 882 . 19 1 1 A 74 74 VAL HA H 74 3.986 3.512 0.474 1
1 890 . 19 1 1 A 74 74 VAL C C 74 176.167 177.833 -1.666 1
1 891 . 19 1 1 A 74 74 VAL CA C 74 63.123 66.365 -3.242 1
1 892 . 19 1 1 A 74 74 VAL CB C 74 30.082 31.454 -1.372 1
1 895 . 19 1 1 A 74 74 VAL N N 74 121.828 120.170 1.658 1
1 896 . 19 1 1 A 75 75 MET H H 75 8.167 8.281 -0.114 1
1 897 . 19 1 1 A 75 75 MET HA H 75 4.093 4.009 0.084 1
1 903 . 19 1 1 A 75 75 MET C C 75 176.455 178.448 -1.993 1
1 904 . 19 1 1 A 75 75 MET N N 75 123.990 117.012 6.978 1
1 905 . 19 1 1 A 76 76 LYS H H 76 8.287 7.935 0.352 1
1 906 . 19 1 1 A 76 76 LYS HA H 76 4.234 4.051 0.183 1
1 915 . 19 1 1 A 76 76 LYS C C 76 176.220 178.564 -2.344 1
1 916 . 19 1 1 A 76 76 LYS CA C 76 56.765 58.740 -1.975 1
1 917 . 19 1 1 A 76 76 LYS CB C 76 33.055 32.224 0.831 1
1 921 . 19 1 1 A 76 76 LYS N N 76 122.725 119.955 2.770 1
1 922 . 19 1 1 A 77 77 ALA H H 77 8.308 8.106 0.202 1
1 923 . 19 1 1 A 77 77 ALA HA H 77 4.213 4.030 0.183 1
1 927 . 19 1 1 A 77 77 ALA C C 77 178.097 179.791 -1.694 1
1 928 . 19 1 1 A 77 77 ALA CA C 77 52.740 54.924 -2.184 1
1 929 . 19 1 1 A 77 77 ALA CB C 77 19.427 18.392 1.035 1
1 930 . 19 1 1 A 77 77 ALA N N 77 125.316 121.780 3.536 1
1 931 . 19 1 1 A 78 78 GLY H H 78 8.284 7.872 0.412 1
1 932 . 19 1 1 A 78 78 GLY HA2 H 78 3.873 3.461 0.412 1
1 933 . 19 1 1 A 78 78 GLY HA3 H 78 3.873 3.717 0.156 1
1 934 . 19 1 1 A 78 78 GLY C C 78 174.065 175.456 -1.391 1
1 935 . 19 1 1 A 78 78 GLY CA C 78 45.497 47.370 -1.873 1
1 936 . 19 1 1 A 78 78 GLY N N 78 107.778 105.344 2.434 1
1 937 . 19 1 1 A 79 79 ILE H H 79 7.882 8.005 -0.123 1
1 938 . 19 1 1 A 79 79 ILE HA H 79 4.119 3.949 0.170 1
1 948 . 19 1 1 A 79 79 ILE C C 79 176.160 178.408 -2.248 1
1 949 . 19 1 1 A 79 79 ILE CA C 79 61.436 64.063 -2.627 1
1 950 . 19 1 1 A 79 79 ILE CB C 79 38.904 37.240 1.664 1
1 954 . 19 1 1 A 79 79 ILE N N 79 119.794 122.390 -2.596 1
1 955 . 19 1 1 A 80 80 GLU H H 80 8.354 8.011 0.343 1
1 956 . 19 1 1 A 80 80 GLU HA H 80 4.282 3.993 0.289 1
1 961 . 19 1 1 A 80 80 GLU C C 80 176.174 178.944 -2.770 1
1 962 . 19 1 1 A 80 80 GLU CA C 80 57.178 59.423 -2.245 1
1 963 . 19 1 1 A 80 80 GLU CB C 80 30.019 29.551 0.468 1
1 965 . 19 1 1 A 80 80 GLU N N 80 124.311 119.902 4.409 1
1 966 . 19 1 1 A 81 81 VAL H H 81 8.205 7.417 0.788 1
1 967 . 19 1 1 A 81 81 VAL HA H 81 3.985 3.724 0.261 1
1 975 . 19 1 1 A 81 81 VAL C C 81 175.815 178.038 -2.223 1
1 976 . 19 1 1 A 81 81 VAL CA C 81 62.865 65.350 -2.485 1
1 977 . 19 1 1 A 81 81 VAL CB C 81 32.629 31.452 1.177 1
1 980 . 19 1 1 A 81 81 VAL N N 81 121.106 117.203 3.903 1
1 981 . 19 1 1 A 82 82 PHE H H 82 8.252 7.544 0.708 1
1 982 . 19 1 1 A 82 82 PHE HA H 82 4.551 4.094 0.457 1
1 990 . 19 1 1 A 82 82 PHE C C 82 175.631 178.422 -2.791 1
1 991 . 19 1 1 A 82 82 PHE CA C 82 58.206 61.303 -3.097 1
1 992 . 19 1 1 A 82 82 PHE CB C 82 39.431 38.404 1.027 1
1 993 . 19 1 1 A 82 82 PHE N N 82 123.622 119.903 3.719 1
1 994 . 19 1 1 A 83 83 ALA H H 83 8.184 8.477 -0.293 1
1 995 . 19 1 1 A 83 83 ALA HA H 83 4.230 4.141 0.089 1
1 999 . 19 1 1 A 83 83 ALA C C 83 178.025 179.805 -1.780 1
1 1000 . 19 1 1 A 83 83 ALA CA C 83 52.731 55.186 -2.455 1
1 1001 . 19 1 1 A 83 83 ALA CB C 83 19.359 18.018 1.341 1
1 1002 . 19 1 1 A 83 83 ALA N N 83 125.081 122.857 2.224 1
1 1003 . 19 1 1 A 84 84 LEU H H 84 8.104 7.880 0.224 1
1 1004 . 19 1 1 A 84 84 LEU HA H 84 4.167 4.092 0.075 1
1 1014 . 19 1 1 A 84 84 LEU C C 84 176.390 178.919 -2.529 1
1 1015 . 19 1 1 A 84 84 LEU CA C 84 55.786 57.580 -1.794 1
1 1016 . 19 1 1 A 84 84 LEU CB C 84 42.179 41.538 0.641 1
1 1020 . 19 1 1 A 84 84 LEU N N 84 119.064 120.502 -1.438 1
1 1021 . 19 1 1 A 85 85 VAL H H 85 8.155 7.886 0.269 1
1 1022 . 19 1 1 A 85 85 VAL HA H 85 4.073 3.800 0.273 1
1 1030 . 19 1 1 A 85 85 VAL C C 85 176.521 178.593 -2.072 1
1 1031 . 19 1 1 A 85 85 VAL CA C 85 62.762 65.995 -3.233 1
1 1032 . 19 1 1 A 85 85 VAL CB C 85 32.498 31.501 0.997 1
1 1035 . 19 1 1 A 85 85 VAL N N 85 121.743 118.808 2.935 1
1 1036 . 19 1 1 A 86 86 THR H H 86 8.052 8.070 -0.018 1
1 1037 . 19 1 1 A 86 86 THR HA H 86 4.141 4.000 0.141 1
1 1042 . 19 1 1 A 86 86 THR C C 86 174.706 176.440 -1.734 1
1 1043 . 19 1 1 A 86 86 THR CA C 86 62.351 66.055 -3.704 1
1 1044 . 19 1 1 A 86 86 THR CB C 86 69.618 68.398 1.220 1
1 1046 . 19 1 1 A 86 86 THR N N 86 117.693 115.710 1.983 1
1 1047 . 19 1 1 A 87 87 ALA H H 87 8.216 8.290 -0.074 1
1 1048 . 19 1 1 A 87 87 ALA HA H 87 4.170 3.959 0.211 1
1 1052 . 19 1 1 A 87 87 ALA C C 87 178.003 179.829 -1.826 1
1 1053 . 19 1 1 A 87 87 ALA CA C 87 52.967 55.383 -2.416 1
1 1054 . 19 1 1 A 87 87 ALA CB C 87 18.326 18.463 -0.137 1
1 1055 . 19 1 1 A 87 87 ALA N N 87 126.174 123.901 2.273 1
1 1056 . 19 1 1 A 88 88 ALA H H 88 8.129 7.940 0.189 1
1 1057 . 19 1 1 A 88 88 ALA HA H 88 4.147 4.159 -0.012 1
1 1061 . 19 1 1 A 88 88 ALA C C 88 178.246 180.036 -1.790 1
1 1062 . 19 1 1 A 88 88 ALA CA C 88 52.961 55.145 -2.184 1
1 1063 . 19 1 1 A 88 88 ALA CB C 88 19.290 18.145 1.145 1
1 1064 . 19 1 1 A 88 88 ALA N N 88 122.649 120.648 2.001 1
1 1065 . 19 1 1 A 89 89 LEU H H 89 7.992 8.029 -0.037 1
1 1066 . 19 1 1 A 89 89 LEU HA H 89 4.153 4.006 0.147 1
1 1076 . 19 1 1 A 89 89 LEU C C 89 176.375 178.369 -1.994 1
1 1077 . 19 1 1 A 89 89 LEU CA C 89 57.099 57.982 -0.883 1
1 1078 . 19 1 1 A 89 89 LEU CB C 89 42.055 41.599 0.456 1
1 1082 . 19 1 1 A 89 89 LEU N N 89 120.616 119.710 0.906 1
1 1083 . 19 1 1 A 90 90 ALA H H 90 8.168 8.281 -0.113 1
1 1084 . 19 1 1 A 90 90 ALA HA H 90 4.218 4.271 -0.053 1
1 1088 . 19 1 1 A 90 90 ALA C C 90 178.487 178.897 -0.410 1
1 1089 . 19 1 1 A 90 90 ALA CA C 90 53.043 54.160 -1.117 1
1 1090 . 19 1 1 A 90 90 ALA CB C 90 19.269 18.392 0.877 1
1 1091 . 19 1 1 A 90 90 ALA N N 90 124.243 121.397 2.846 1
1 1092 . 19 1 1 A 91 91 THR H H 91 7.988 7.555 0.433 1
1 1093 . 19 1 1 A 91 91 THR HA H 91 4.181 3.880 0.301 1
1 1098 . 19 1 1 A 91 91 THR C C 91 174.931 175.968 -1.037 1
1 1099 . 19 1 1 A 91 91 THR CA C 91 62.190 66.011 -3.821 1
1 1100 . 19 1 1 A 91 91 THR CB C 91 69.198 68.362 0.836 1
1 1102 . 19 1 1 A 91 91 THR N N 91 112.659 113.669 -1.010 1
1 1103 . 19 1 1 A 92 92 ASP H H 92 8.254 8.084 0.170 1
1 1104 . 19 1 1 A 92 92 ASP HA H 92 4.541 4.296 0.245 1
1 1107 . 19 1 1 A 92 92 ASP C C 92 175.823 178.049 -2.226 1
1 1108 . 19 1 1 A 92 92 ASP CA C 92 53.570 57.111 -3.541 1
1 1109 . 19 1 1 A 92 92 ASP CB C 92 38.750 41.436 -2.686 1
1 1110 . 19 1 1 A 92 92 ASP N N 92 120.688 121.654 -0.966 1
1 1111 . 19 1 1 A 93 93 PHE H H 93 8.048 8.303 -0.255 1
1 1112 . 19 1 1 A 93 93 PHE HA H 93 4.547 4.495 0.052 1
1 1120 . 19 1 1 A 93 93 PHE C C 93 176.384 176.921 -0.537 1
1 1121 . 19 1 1 A 93 93 PHE CA C 93 58.633 59.298 -0.665 1
1 1122 . 19 1 1 A 93 93 PHE CB C 93 39.451 37.412 2.039 1
1 1123 . 19 1 1 A 93 93 PHE N N 93 120.763 117.511 3.252 1
1 1124 . 19 1 1 A 94 94 VAL H H 94 7.904 7.592 0.312 1
1 1125 . 19 1 1 A 94 94 VAL HA H 94 4.364 3.143 1.221 1
1 1133 . 19 1 1 A 94 94 VAL C C 94 176.851 177.564 -0.713 1
1 1134 . 19 1 1 A 94 94 VAL CA C 94 63.297 65.727 -2.430 1
1 1135 . 19 1 1 A 94 94 VAL CB C 94 29.241 30.599 -1.358 1
1 1138 . 19 1 1 A 94 94 VAL N N 94 121.478 120.208 1.270 1
1 1139 . 19 1 1 A 95 95 ARG H H 95 8.146 7.912 0.234 1
1 1140 . 19 1 1 A 95 95 ARG HA H 95 4.134 4.077 0.057 1
1 1152 . 19 1 1 A 95 95 ARG C C 95 177.395 178.079 -0.684 1
1 1153 . 19 1 1 A 95 95 ARG CA C 95 55.978 58.553 -2.575 1
1 1154 . 19 1 1 A 95 95 ARG CB C 95 31.070 29.864 1.206 1
1 1157 . 19 1 1 A 95 95 ARG N N 95 122.920 120.862 2.058 1
1 1159 . 19 1 1 A 96 96 ARG H H 96 8.313 7.956 0.357 1
1 1160 . 19 1 1 A 96 96 ARG HA H 96 4.180 4.226 -0.046 1
1 1172 . 19 1 1 A 96 96 ARG C C 96 176.839 176.375 0.464 1
1 1173 . 19 1 1 A 96 96 ARG CA C 96 56.831 57.833 -1.002 1
1 1174 . 19 1 1 A 96 96 ARG CB C 96 30.952 29.608 1.344 1
1 1177 . 19 1 1 A 96 96 ARG N N 96 121.064 116.785 4.279 1
1 1179 . 19 1 1 A 97 97 GLU H H 97 8.356 7.245 1.111 1
1 1180 . 19 1 1 A 97 97 GLU HA H 97 4.220 4.419 -0.199 1
1 1185 . 19 1 1 A 97 97 GLU C C 97 176.319 176.818 -0.499 1
1 1186 . 19 1 1 A 97 97 GLU CA C 97 57.408 55.534 1.874 1
1 1187 . 19 1 1 A 97 97 GLU CB C 97 28.610 31.348 -2.738 1
1 1189 . 19 1 1 A 97 97 GLU N N 97 121.754 120.661 1.093 1
1 1190 . 19 1 1 A 98 98 GLU H H 98 8.328 8.979 -0.651 1
1 1191 . 19 1 1 A 98 98 GLU HA H 98 4.240 3.912 0.328 1
1 1196 . 19 1 1 A 98 98 GLU C C 98 176.132 176.684 -0.552 1
1 1197 . 19 1 1 A 98 98 GLU CA C 98 57.666 58.855 -1.189 1
1 1198 . 19 1 1 A 98 98 GLU CB C 98 30.045 27.329 2.716 1
1 1200 . 19 1 1 A 98 98 GLU N N 98 121.414 117.667 3.747 1
1 1201 . 19 1 1 A 99 99 GLU H H 99 8.418 8.218 0.200 1
1 1202 . 19 1 1 A 99 99 GLU HA H 99 4.299 4.042 0.257 1
1 1207 . 19 1 1 A 99 99 GLU C C 99 177.021 179.259 -2.238 1
1 1208 . 19 1 1 A 99 99 GLU CA C 99 57.397 59.492 -2.095 1
1 1209 . 19 1 1 A 99 99 GLU CB C 99 30.309 29.160 1.149 1
1 1211 . 19 1 1 A 99 99 GLU N N 99 121.312 119.691 1.621 1
1 1212 . 19 1 1 A 100 100 ARG H H 100 8.013 8.081 -0.068 1
1 1213 . 19 1 1 A 100 100 ARG HA H 100 4.180 4.087 0.093 1
1 1225 . 19 1 1 A 100 100 ARG C C 100 176.313 178.082 -1.769 1
1 1226 . 19 1 1 A 100 100 ARG CA C 100 57.238 59.006 -1.768 1
1 1227 . 19 1 1 A 100 100 ARG CB C 100 30.298 29.802 0.496 1
1 1230 . 19 1 1 A 100 100 ARG N N 100 121.871 120.055 1.816 1
1 1232 . 19 1 1 A 101 101 ARG H H 101 8.260 7.343 0.917 1
1 1233 . 19 1 1 A 101 101 ARG HA H 101 4.260 4.374 -0.114 1
1 1245 . 19 1 1 A 101 101 ARG C C 101 176.753 176.808 -0.055 1
1 1246 . 19 1 1 A 101 101 ARG CA C 101 56.492 55.848 0.644 1
1 1247 . 19 1 1 A 101 101 ARG CB C 101 30.838 31.070 -0.232 1
1 1250 . 19 1 1 A 101 101 ARG N N 101 122.019 115.388 6.631 1
1 1252 . 19 1 1 A 102 102 GLY H H 102 8.380 9.187 -0.807 1
1 1253 . 19 1 1 A 102 102 GLY HA2 H 102 3.849 3.899 -0.050 1
1 1254 . 19 1 1 A 102 102 GLY HA3 H 102 3.849 3.902 -0.053 1
1 1255 . 19 1 1 A 102 102 GLY C C 102 173.145 173.405 -0.260 1
1 1256 . 19 1 1 A 102 102 GLY CA C 102 45.401 45.824 -0.423 1
1 1257 . 19 1 1 A 102 102 GLY N N 102 110.110 109.387 0.723 1
1 9 . 20 1 1 A 2 2 ALA H H 2 8.742 7.905 0.837 1
1 10 . 20 1 1 A 2 2 ALA HA H 2 4.302 4.280 0.022 1
1 14 . 20 1 1 A 2 2 ALA C C 2 177.216 177.599 -0.383 1
1 15 . 20 1 1 A 2 2 ALA CA C 2 52.876 51.595 1.281 1
1 16 . 20 1 1 A 2 2 ALA CB C 2 19.182 20.197 -1.015 1
1 17 . 20 1 1 A 2 2 ALA N N 2 124.657 121.428 3.229 1
1 18 . 20 1 1 A 3 3 ASP H H 3 8.432 9.091 -0.659 1
1 19 . 20 1 1 A 3 3 ASP HA H 3 4.530 4.313 0.217 1
1 22 . 20 1 1 A 3 3 ASP C C 3 176.023 178.244 -2.221 1
1 23 . 20 1 1 A 3 3 ASP CA C 3 53.721 57.179 -3.458 1
1 24 . 20 1 1 A 3 3 ASP CB C 3 38.752 40.182 -1.430 1
1 25 . 20 1 1 A 3 3 ASP N N 3 118.729 118.846 -0.117 1
1 26 . 20 1 1 A 4 4 HIS H H 4 8.549 8.560 -0.011 1
1 27 . 20 1 1 A 4 4 HIS HA H 4 4.568 4.391 0.177 1
1 32 . 20 1 1 A 4 4 HIS C C 4 175.101 177.579 -2.478 1
1 33 . 20 1 1 A 4 4 HIS CA C 4 56.640 58.777 -2.137 1
1 34 . 20 1 1 A 4 4 HIS CB C 4 28.961 28.333 0.628 1
1 37 . 20 1 1 A 4 4 HIS N N 4 119.650 116.963 2.687 1
1 38 . 20 1 1 A 5 5 GLU H H 5 8.330 7.503 0.827 1
1 39 . 20 1 1 A 5 5 GLU HA H 5 4.207 4.048 0.159 1
1 44 . 20 1 1 A 5 5 GLU C C 5 175.749 178.775 -3.026 1
1 45 . 20 1 1 A 5 5 GLU CA C 5 56.594 59.094 -2.500 1
1 46 . 20 1 1 A 5 5 GLU CB C 5 29.285 29.471 -0.186 1
1 48 . 20 1 1 A 5 5 GLU N N 5 120.937 120.688 0.249 1
1 49 . 20 1 1 A 6 6 ARG H H 6 8.325 8.288 0.037 1
1 50 . 20 1 1 A 6 6 ARG HA H 6 4.571 4.095 0.476 1
1 62 . 20 1 1 A 6 6 ARG C C 6 177.578 178.851 -1.273 1
1 63 . 20 1 1 A 6 6 ARG CA C 6 56.716 59.609 -2.893 1
1 64 . 20 1 1 A 6 6 ARG CB C 6 30.744 29.762 0.982 1
1 67 . 20 1 1 A 6 6 ARG N N 6 120.267 119.677 0.590 1
1 69 . 20 1 1 A 7 7 GLU H H 7 8.136 8.152 -0.016 1
1 70 . 20 1 1 A 7 7 GLU HA H 7 4.165 4.121 0.044 1
1 75 . 20 1 1 A 7 7 GLU C C 7 177.156 178.909 -1.753 1
1 76 . 20 1 1 A 7 7 GLU CA C 7 57.125 58.943 -1.818 1
1 77 . 20 1 1 A 7 7 GLU CB C 7 30.149 29.304 0.845 1
1 79 . 20 1 1 A 7 7 GLU N N 7 121.008 119.529 1.479 1
1 80 . 20 1 1 A 8 8 ALA H H 8 8.325 7.862 0.463 1
1 81 . 20 1 1 A 8 8 ALA HA H 8 4.212 4.105 0.107 1
1 85 . 20 1 1 A 8 8 ALA C C 8 178.913 179.313 -0.400 1
1 86 . 20 1 1 A 8 8 ALA CA C 8 52.832 55.033 -2.201 1
1 87 . 20 1 1 A 8 8 ALA CB C 8 18.909 18.104 0.805 1
1 88 . 20 1 1 A 8 8 ALA N N 8 124.538 122.408 2.130 1
1 89 . 20 1 1 A 9 9 GLN H H 9 8.159 7.700 0.459 1
1 90 . 20 1 1 A 9 9 GLN HA H 9 4.140 4.003 0.137 1
1 97 . 20 1 1 A 9 9 GLN C C 9 175.771 178.428 -2.657 1
1 98 . 20 1 1 A 9 9 GLN CA C 9 57.655 58.894 -1.239 1
1 99 . 20 1 1 A 9 9 GLN CB C 9 28.606 28.563 0.043 1
1 101 . 20 1 1 A 9 9 GLN N N 9 124.103 118.221 5.882 1
1 103 . 20 1 1 A 10 10 LYS H H 10 8.148 7.941 0.207 1
1 104 . 20 1 1 A 10 10 LYS HA H 10 4.204 4.026 0.178 1
1 113 . 20 1 1 A 10 10 LYS C C 10 177.798 178.659 -0.861 1
1 114 . 20 1 1 A 10 10 LYS CA C 10 57.139 59.112 -1.973 1
1 115 . 20 1 1 A 10 10 LYS CB C 10 33.040 32.208 0.832 1
1 119 . 20 1 1 A 10 10 LYS N N 10 120.635 121.145 -0.510 1
1 120 . 20 1 1 A 11 11 ALA H H 11 8.148 7.994 0.154 1
1 121 . 20 1 1 A 11 11 ALA HA H 11 4.140 4.031 0.109 1
1 125 . 20 1 1 A 11 11 ALA C C 11 178.173 179.760 -1.587 1
1 126 . 20 1 1 A 11 11 ALA CA C 11 53.351 55.294 -1.943 1
1 127 . 20 1 1 A 11 11 ALA CB C 11 19.128 18.354 0.774 1
1 128 . 20 1 1 A 11 11 ALA N N 11 123.171 120.846 2.325 1
1 129 . 20 1 1 A 12 12 GLU H H 12 8.248 7.784 0.464 1
1 130 . 20 1 1 A 12 12 GLU HA H 12 4.222 4.049 0.173 1
1 135 . 20 1 1 A 12 12 GLU C C 12 176.385 179.214 -2.829 1
1 136 . 20 1 1 A 12 12 GLU CA C 12 57.442 59.508 -2.066 1
1 137 . 20 1 1 A 12 12 GLU CB C 12 30.001 29.302 0.699 1
1 139 . 20 1 1 A 12 12 GLU N N 12 119.451 118.274 1.177 1
1 140 . 20 1 1 A 13 13 GLU H H 13 8.372 7.933 0.439 1
1 141 . 20 1 1 A 13 13 GLU HA H 13 4.265 4.164 0.101 1
1 146 . 20 1 1 A 13 13 GLU C C 13 178.060 179.598 -1.538 1
1 147 . 20 1 1 A 13 13 GLU CA C 13 56.828 58.931 -2.103 1
1 148 . 20 1 1 A 13 13 GLU CB C 13 30.082 28.950 1.132 1
1 150 . 20 1 1 A 13 13 GLU N N 13 121.080 120.658 0.422 1
1 151 . 20 1 1 A 14 14 GLU H H 14 8.152 7.708 0.444 1
1 152 . 20 1 1 A 14 14 GLU HA H 14 4.142 4.182 -0.040 1
1 157 . 20 1 1 A 14 14 GLU C C 14 176.274 178.680 -2.406 1
1 158 . 20 1 1 A 14 14 GLU CA C 14 56.892 58.904 -2.012 1
1 159 . 20 1 1 A 14 14 GLU CB C 14 28.169 29.266 -1.097 1
1 161 . 20 1 1 A 14 14 GLU N N 14 120.236 120.384 -0.148 1
1 162 . 20 1 1 A 15 15 LEU H H 15 8.301 7.992 0.309 1
1 163 . 20 1 1 A 15 15 LEU HA H 15 4.224 3.994 0.230 1
1 173 . 20 1 1 A 15 15 LEU C C 15 177.983 178.685 -0.702 1
1 174 . 20 1 1 A 15 15 LEU CA C 15 56.344 57.727 -1.383 1
1 175 . 20 1 1 A 15 15 LEU CB C 15 42.250 41.467 0.783 1
1 179 . 20 1 1 A 15 15 LEU N N 15 123.072 121.404 1.668 1
1 180 . 20 1 1 A 16 16 GLN H H 16 8.132 7.761 0.371 1
1 181 . 20 1 1 A 16 16 GLN HA H 16 4.145 3.954 0.191 1
1 188 . 20 1 1 A 16 16 GLN C C 16 177.674 178.290 -0.616 1
1 189 . 20 1 1 A 16 16 GLN CA C 16 57.971 59.111 -1.140 1
1 190 . 20 1 1 A 16 16 GLN CB C 16 29.889 28.328 1.561 1
1 192 . 20 1 1 A 16 16 GLN N N 16 119.160 117.892 1.268 1
1 194 . 20 1 1 A 17 17 LYS H H 17 8.214 7.699 0.515 1
1 195 . 20 1 1 A 17 17 LYS HA H 17 4.140 4.196 -0.056 1
1 204 . 20 1 1 A 17 17 LYS C C 17 177.646 179.031 -1.385 1
1 205 . 20 1 1 A 17 17 LYS CA C 17 57.115 59.009 -1.894 1
1 206 . 20 1 1 A 17 17 LYS CB C 17 32.833 31.948 0.885 1
1 210 . 20 1 1 A 17 17 LYS N N 17 120.310 121.299 -0.989 1
1 211 . 20 1 1 A 18 18 VAL H H 18 7.871 7.569 0.302 1
1 212 . 20 1 1 A 18 18 VAL HA H 18 4.108 3.633 0.475 1
1 220 . 20 1 1 A 18 18 VAL C C 18 177.476 178.347 -0.871 1
1 221 . 20 1 1 A 18 18 VAL CA C 18 63.634 66.198 -2.564 1
1 222 . 20 1 1 A 18 18 VAL CB C 18 31.886 31.410 0.476 1
1 225 . 20 1 1 A 18 18 VAL N N 18 120.571 120.362 0.209 1
1 226 . 20 1 1 A 19 19 LEU H H 19 8.180 7.924 0.256 1
1 227 . 20 1 1 A 19 19 LEU HA H 19 4.042 4.042 0.000 1
1 237 . 20 1 1 A 19 19 LEU C C 19 179.462 179.739 -0.277 1
1 238 . 20 1 1 A 19 19 LEU CA C 19 57.653 58.201 -0.548 1
1 239 . 20 1 1 A 19 19 LEU CB C 19 41.800 41.169 0.631 1
1 243 . 20 1 1 A 19 19 LEU N N 19 122.936 120.589 2.347 1
1 244 . 20 1 1 A 20 20 GLU H H 20 8.122 8.169 -0.047 1
1 245 . 20 1 1 A 20 20 GLU HA H 20 4.156 4.059 0.097 1
1 250 . 20 1 1 A 20 20 GLU C C 20 178.001 179.351 -1.350 1
1 251 . 20 1 1 A 20 20 GLU CA C 20 58.045 59.739 -1.694 1
1 252 . 20 1 1 A 20 20 GLU CB C 20 30.092 29.357 0.735 1
1 254 . 20 1 1 A 20 20 GLU N N 20 118.745 118.139 0.606 1
1 255 . 20 1 1 A 21 21 GLU H H 21 8.190 8.068 0.122 1
1 256 . 20 1 1 A 21 21 GLU HA H 21 4.144 4.025 0.119 1
1 261 . 20 1 1 A 21 21 GLU C C 21 177.290 179.100 -1.810 1
1 262 . 20 1 1 A 21 21 GLU CA C 21 58.109 59.626 -1.517 1
1 263 . 20 1 1 A 21 21 GLU CB C 21 29.868 29.346 0.522 1
1 265 . 20 1 1 A 21 21 GLU N N 21 119.542 120.505 -0.963 1
1 266 . 20 1 1 A 22 22 ALA H H 22 8.092 8.721 -0.629 1
1 267 . 20 1 1 A 22 22 ALA HA H 22 4.173 4.149 0.024 1
1 271 . 20 1 1 A 22 22 ALA C C 22 179.020 180.295 -1.275 1
1 272 . 20 1 1 A 22 22 ALA CA C 22 53.944 55.227 -1.283 1
1 273 . 20 1 1 A 22 22 ALA CB C 22 18.578 18.169 0.409 1
1 274 . 20 1 1 A 22 22 ALA N N 22 123.378 123.441 -0.063 1
1 275 . 20 1 1 A 23 23 SER H H 23 8.079 8.202 -0.123 1
1 276 . 20 1 1 A 23 23 SER HA H 23 4.300 4.206 0.094 1
1 279 . 20 1 1 A 23 23 SER C C 23 173.125 177.381 -4.256 1
1 280 . 20 1 1 A 23 23 SER CA C 23 59.414 61.520 -2.106 1
1 281 . 20 1 1 A 23 23 SER CB C 23 63.520 63.126 0.394 1
1 282 . 20 1 1 A 23 23 SER N N 23 114.637 113.827 0.810 1
1 283 . 20 1 1 A 24 24 LYS H H 24 8.032 7.496 0.536 1
1 284 . 20 1 1 A 24 24 LYS HA H 24 4.325 4.073 0.252 1
1 293 . 20 1 1 A 24 24 LYS C C 24 175.423 178.932 -3.509 1
1 294 . 20 1 1 A 24 24 LYS CA C 24 57.273 59.633 -2.360 1
1 295 . 20 1 1 A 24 24 LYS CB C 24 31.200 32.520 -1.320 1
1 299 . 20 1 1 A 24 24 LYS N N 24 122.635 121.332 1.303 1
1 300 . 20 1 1 A 25 25 LYS H H 25 8.042 7.764 0.278 1
1 301 . 20 1 1 A 25 25 LYS HA H 25 4.169 4.053 0.116 1
1 310 . 20 1 1 A 25 25 LYS C C 25 177.025 179.326 -2.301 1
1 311 . 20 1 1 A 25 25 LYS CA C 25 56.876 59.633 -2.757 1
1 312 . 20 1 1 A 25 25 LYS CB C 25 31.200 32.275 -1.075 1
1 316 . 20 1 1 A 25 25 LYS N N 25 121.079 119.403 1.676 1
1 317 . 20 1 1 A 26 26 ALA H H 26 8.103 8.494 -0.391 1
1 318 . 20 1 1 A 26 26 ALA HA H 26 4.196 3.959 0.237 1
1 322 . 20 1 1 A 26 26 ALA C C 26 178.418 180.201 -1.783 1
1 323 . 20 1 1 A 26 26 ALA CA C 26 53.049 55.167 -2.118 1
1 324 . 20 1 1 A 26 26 ALA CB C 26 19.055 18.215 0.840 1
1 325 . 20 1 1 A 26 26 ALA N N 26 124.589 122.293 2.296 1
1 326 . 20 1 1 A 27 27 VAL H H 27 8.030 7.416 0.614 1
1 327 . 20 1 1 A 27 27 VAL HA H 27 3.945 3.431 0.514 1
1 335 . 20 1 1 A 27 27 VAL C C 27 179.177 178.104 1.073 1
1 336 . 20 1 1 A 27 27 VAL CA C 27 63.001 66.217 -3.216 1
1 337 . 20 1 1 A 27 27 VAL CB C 27 32.449 31.210 1.239 1
1 340 . 20 1 1 A 27 27 VAL N N 27 119.340 117.423 1.917 1
1 341 . 20 1 1 A 28 28 GLU H H 28 8.187 8.083 0.104 1
1 342 . 20 1 1 A 28 28 GLU HA H 28 4.166 4.049 0.117 1
1 347 . 20 1 1 A 28 28 GLU C C 28 176.411 178.792 -2.381 1
1 348 . 20 1 1 A 28 28 GLU CA C 28 57.290 59.079 -1.789 1
1 349 . 20 1 1 A 28 28 GLU CB C 28 30.025 29.102 0.923 1
1 351 . 20 1 1 A 28 28 GLU N N 28 120.351 120.252 0.099 1
1 352 . 20 1 1 A 29 29 ALA H H 29 8.173 8.654 -0.481 1
1 353 . 20 1 1 A 29 29 ALA HA H 29 4.230 4.040 0.190 1
1 357 . 20 1 1 A 29 29 ALA C C 29 176.924 179.493 -2.569 1
1 358 . 20 1 1 A 29 29 ALA CA C 29 53.338 54.969 -1.631 1
1 359 . 20 1 1 A 29 29 ALA CB C 29 18.964 18.237 0.727 1
1 360 . 20 1 1 A 29 29 ALA N N 29 124.463 122.126 2.337 1
1 361 . 20 1 1 A 30 30 GLU H H 30 8.239 7.632 0.607 1
1 362 . 20 1 1 A 30 30 GLU HA H 30 4.251 4.067 0.184 1
1 367 . 20 1 1 A 30 30 GLU C C 30 175.016 176.481 -1.465 1
1 368 . 20 1 1 A 30 30 GLU CA C 30 58.033 59.206 -1.173 1
1 369 . 20 1 1 A 30 30 GLU CB C 30 29.996 29.781 0.215 1
1 371 . 20 1 1 A 30 30 GLU N N 30 122.971 117.834 5.137 1
1 372 . 20 1 1 A 31 31 ARG H H 31 8.261 8.089 0.172 1
1 373 . 20 1 1 A 31 31 ARG HA H 31 4.255 3.942 0.313 1
1 385 . 20 1 1 A 31 31 ARG C C 31 176.727 176.224 0.503 1
1 386 . 20 1 1 A 31 31 ARG CA C 31 56.565 57.198 -0.633 1
1 387 . 20 1 1 A 31 31 ARG CB C 31 30.783 28.704 2.079 1
1 390 . 20 1 1 A 31 31 ARG N N 31 121.894 119.997 1.897 1
1 392 . 20 1 1 A 32 32 GLY H H 32 8.302 8.284 0.018 1
1 393 . 20 1 1 A 32 32 GLY HA2 H 32 3.852 4.057 -0.205 1
1 394 . 20 1 1 A 32 32 GLY HA3 H 32 3.852 4.057 -0.205 1
1 395 . 20 1 1 A 32 32 GLY C C 32 173.994 174.486 -0.492 1
1 396 . 20 1 1 A 32 32 GLY CA C 32 45.077 45.187 -0.110 1
1 397 . 20 1 1 A 32 32 GLY N N 32 109.773 104.887 4.886 1
1 398 . 20 1 1 A 33 33 ALA H H 33 8.011 7.865 0.146 1
1 399 . 20 1 1 A 33 33 ALA HA H 33 4.212 4.449 -0.237 1
1 403 . 20 1 1 A 33 33 ALA CA C 33 50.522 50.636 -0.114 1
1 404 . 20 1 1 A 33 33 ALA CB C 33 18.962 19.129 -0.167 1
1 405 . 20 1 1 A 33 33 ALA N N 33 123.601 124.634 -1.033 1
1 406 . 20 1 1 A 34 34 PRO HA H 34 4.352 4.323 0.029 1
1 413 . 20 1 1 A 34 34 PRO C C 34 177.746 177.527 0.219 1
1 414 . 20 1 1 A 34 34 PRO CA C 34 63.520 63.740 -0.220 1
1 415 . 20 1 1 A 34 34 PRO CB C 34 31.938 31.292 0.646 1
1 418 . 20 1 1 A 35 35 GLY H H 35 8.433 8.822 -0.389 1
1 419 . 20 1 1 A 35 35 GLY HA2 H 35 3.848 3.904 -0.056 1
1 420 . 20 1 1 A 35 35 GLY HA3 H 35 3.848 3.905 -0.057 1
1 421 . 20 1 1 A 35 35 GLY C C 35 173.266 175.691 -2.425 1
1 422 . 20 1 1 A 35 35 GLY CA C 35 45.405 45.200 0.205 1
1 423 . 20 1 1 A 35 35 GLY N N 35 109.298 112.517 -3.219 1
1 424 . 20 1 1 A 36 36 ALA H H 36 8.095 8.255 -0.160 1
1 425 . 20 1 1 A 36 36 ALA HA H 36 4.196 4.098 0.098 1
1 429 . 20 1 1 A 36 36 ALA C C 36 177.944 177.769 0.175 1
1 430 . 20 1 1 A 36 36 ALA CA C 36 52.551 55.281 -2.730 1
1 431 . 20 1 1 A 36 36 ALA CB C 36 19.485 18.619 0.866 1
1 432 . 20 1 1 A 36 36 ALA N N 36 124.605 125.007 -0.402 1
1 433 . 20 1 1 A 37 37 ALA H H 37 8.199 7.863 0.336 1
1 434 . 20 1 1 A 37 37 ALA HA H 37 4.491 4.042 0.449 1
1 438 . 20 1 1 A 37 37 ALA C C 37 177.456 175.866 1.590 1
1 439 . 20 1 1 A 37 37 ALA CA C 37 52.453 54.241 -1.788 1
1 440 . 20 1 1 A 37 37 ALA CB C 37 19.060 17.751 1.309 1
1 441 . 20 1 1 A 37 37 ALA N N 37 123.695 117.797 5.898 1
1 442 . 20 1 1 A 38 38 LEU H H 38 8.099 7.654 0.445 1
1 443 . 20 1 1 A 38 38 LEU HA H 38 4.243 4.612 -0.369 1
1 453 . 20 1 1 A 38 38 LEU C C 38 177.358 176.194 1.164 1
1 454 . 20 1 1 A 38 38 LEU CA C 38 55.218 53.485 1.733 1
1 455 . 20 1 1 A 38 38 LEU CB C 38 42.228 43.979 -1.751 1
1 459 . 20 1 1 A 38 38 LEU N N 38 121.531 119.357 2.174 1
1 460 . 20 1 1 A 39 39 ILE H H 39 7.966 8.767 -0.801 1
1 461 . 20 1 1 A 39 39 ILE HA H 39 4.136 4.469 -0.333 1
1 471 . 20 1 1 A 39 39 ILE C C 39 175.586 175.370 0.216 1
1 472 . 20 1 1 A 39 39 ILE CA C 39 60.873 60.495 0.378 1
1 473 . 20 1 1 A 39 39 ILE CB C 39 38.727 39.702 -0.975 1
1 477 . 20 1 1 A 39 39 ILE N N 39 121.669 121.657 0.012 1
1 478 . 20 1 1 A 40 40 SER H H 40 8.101 7.698 0.403 1
1 479 . 20 1 1 A 40 40 SER HA H 40 4.347 4.862 -0.515 1
1 482 . 20 1 1 A 40 40 SER C C 40 173.336 173.857 -0.521 1
1 483 . 20 1 1 A 40 40 SER CA C 40 57.331 57.526 -0.195 1
1 484 . 20 1 1 A 40 40 SER CB C 40 63.983 65.258 -1.275 1
1 485 . 20 1 1 A 40 40 SER N N 40 119.591 117.467 2.124 1
1 486 . 20 1 1 A 41 41 TYR H H 41 8.100 9.357 -1.257 1
1 487 . 20 1 1 A 41 41 TYR HA H 41 4.436 4.337 0.099 1
1 494 . 20 1 1 A 41 41 TYR CA C 41 56.067 61.314 -5.247 1
1 495 . 20 1 1 A 41 41 TYR CB C 41 38.244 37.359 0.885 1
1 496 . 20 1 1 A 41 41 TYR N N 41 122.744 124.168 -1.424 1
1 497 . 20 1 1 A 42 42 PRO HA H 42 4.281 4.407 -0.126 1
1 504 . 20 1 1 A 42 42 PRO C C 42 176.765 177.399 -0.634 1
1 505 . 20 1 1 A 42 42 PRO CA C 42 63.650 64.839 -1.189 1
1 506 . 20 1 1 A 42 42 PRO CB C 42 30.513 31.314 -0.801 1
1 509 . 20 1 1 A 43 43 ASP H H 43 8.305 8.554 -0.249 1
1 510 . 20 1 1 A 43 43 ASP HA H 43 4.548 4.589 -0.041 1
1 513 . 20 1 1 A 43 43 ASP C C 43 175.135 178.411 -3.276 1
1 514 . 20 1 1 A 43 43 ASP CA C 43 53.570 55.651 -2.081 1
1 515 . 20 1 1 A 43 43 ASP CB C 43 38.450 41.199 -2.749 1
1 516 . 20 1 1 A 43 43 ASP N N 43 118.052 117.419 0.633 1
1 517 . 20 1 1 A 44 44 ALA H H 44 8.013 8.099 -0.086 1
1 518 . 20 1 1 A 44 44 ALA HA H 44 4.106 4.210 -0.104 1
1 522 . 20 1 1 A 44 44 ALA C C 44 177.969 180.052 -2.083 1
1 523 . 20 1 1 A 44 44 ALA CA C 44 52.867 55.173 -2.306 1
1 524 . 20 1 1 A 44 44 ALA CB C 44 19.023 18.514 0.509 1
1 525 . 20 1 1 A 44 44 ALA N N 44 123.344 122.605 0.739 1
1 526 . 20 1 1 A 45 45 ILE H H 45 7.860 8.243 -0.383 1
1 527 . 20 1 1 A 45 45 ILE HA H 45 3.855 3.994 -0.139 1
1 537 . 20 1 1 A 45 45 ILE C C 45 176.287 177.528 -1.241 1
1 538 . 20 1 1 A 45 45 ILE CA C 45 61.465 64.062 -2.597 1
1 539 . 20 1 1 A 45 45 ILE CB C 45 38.294 37.929 0.365 1
1 543 . 20 1 1 A 45 45 ILE N N 45 118.636 119.401 -0.765 1
1 544 . 20 1 1 A 46 46 TRP H H 46 7.646 8.143 -0.497 1
1 545 . 20 1 1 A 46 46 TRP HA H 46 4.504 4.282 0.222 1
1 554 . 20 1 1 A 46 46 TRP C C 46 176.136 178.861 -2.725 1
1 555 . 20 1 1 A 46 46 TRP CA C 46 57.139 60.819 -3.680 1
1 556 . 20 1 1 A 46 46 TRP CB C 46 28.880 29.160 -0.280 1
1 558 . 20 1 1 A 46 46 TRP N N 46 122.947 123.153 -0.206 1
1 560 . 20 1 1 A 47 47 TRP H H 47 7.502 8.312 -0.810 1
1 561 . 20 1 1 A 47 47 TRP HA H 47 4.482 4.270 0.212 1
1 570 . 20 1 1 A 47 47 TRP C C 47 176.149 178.409 -2.260 1
1 571 . 20 1 1 A 47 47 TRP CA C 47 57.197 60.923 -3.726 1
1 572 . 20 1 1 A 47 47 TRP CB C 47 29.703 29.561 0.142 1
1 573 . 20 1 1 A 47 47 TRP N N 47 120.943 122.249 -1.306 1
1 575 . 20 1 1 A 48 48 SER H H 48 7.861 8.255 -0.394 1
1 576 . 20 1 1 A 48 48 SER HA H 48 4.258 3.770 0.488 1
1 579 . 20 1 1 A 48 48 SER C C 48 174.600 177.147 -2.547 1
1 580 . 20 1 1 A 48 48 SER CA C 48 57.844 61.248 -3.404 1
1 581 . 20 1 1 A 48 48 SER CB C 48 64.102 63.039 1.063 1
1 582 . 20 1 1 A 48 48 SER N N 48 116.339 114.563 1.776 1
1 583 . 20 1 1 A 49 49 VAL H H 49 7.921 7.669 0.252 1
1 584 . 20 1 1 A 49 49 VAL HA H 49 3.990 3.409 0.581 1
1 592 . 20 1 1 A 49 49 VAL C C 49 176.402 177.887 -1.485 1
1 593 . 20 1 1 A 49 49 VAL CA C 49 62.909 66.944 -4.035 1
1 594 . 20 1 1 A 49 49 VAL CB C 49 32.467 31.353 1.114 1
1 597 . 20 1 1 A 49 49 VAL N N 49 121.079 121.777 -0.698 1
1 598 . 20 1 1 A 50 50 GLU H H 50 8.229 7.892 0.337 1
1 599 . 20 1 1 A 50 50 GLU HA H 50 4.307 4.180 0.127 1
1 604 . 20 1 1 A 50 50 GLU C C 50 176.506 178.416 -1.910 1
1 605 . 20 1 1 A 50 50 GLU CA C 50 57.040 58.618 -1.578 1
1 606 . 20 1 1 A 50 50 GLU CB C 50 30.123 28.199 1.924 1
1 608 . 20 1 1 A 50 50 GLU N N 50 122.433 119.524 2.909 1
1 609 . 20 1 1 A 51 51 THR H H 51 7.993 7.194 0.799 1
1 610 . 20 1 1 A 51 51 THR HA H 51 4.248 3.646 0.602 1
1 615 . 20 1 1 A 51 51 THR C C 51 174.430 175.958 -1.528 1
1 616 . 20 1 1 A 51 51 THR CA C 51 62.227 66.441 -4.214 1
1 617 . 20 1 1 A 51 51 THR CB C 51 69.712 68.074 1.638 1
1 619 . 20 1 1 A 51 51 THR N N 51 114.413 116.613 -2.200 1
1 620 . 20 1 1 A 52 52 ALA H H 52 8.160 7.791 0.369 1
1 621 . 20 1 1 A 52 52 ALA HA H 52 4.212 4.127 0.085 1
1 625 . 20 1 1 A 52 52 ALA C C 52 177.976 178.742 -0.766 1
1 626 . 20 1 1 A 52 52 ALA CA C 52 53.069 54.761 -1.692 1
1 627 . 20 1 1 A 52 52 ALA CB C 52 19.178 18.016 1.162 1
1 628 . 20 1 1 A 52 52 ALA N N 52 125.641 123.533 2.108 1
1 629 . 20 1 1 A 53 53 THR H H 53 8.022 7.210 0.812 1
1 630 . 20 1 1 A 53 53 THR HA H 53 4.231 4.564 -0.333 1
1 635 . 20 1 1 A 53 53 THR C C 53 174.750 174.420 0.330 1
1 636 . 20 1 1 A 53 53 THR CA C 53 62.231 61.541 0.690 1
1 637 . 20 1 1 A 53 53 THR CB C 53 69.726 68.825 0.901 1
1 639 . 20 1 1 A 53 53 THR N N 53 112.100 107.652 4.448 1
1 640 . 20 1 1 A 54 54 THR H H 54 7.999 7.943 0.056 1
1 641 . 20 1 1 A 54 54 THR HA H 54 4.303 3.989 0.314 1
1 646 . 20 1 1 A 54 54 THR C C 54 174.592 174.010 0.582 1
1 647 . 20 1 1 A 54 54 THR CA C 54 62.002 62.853 -0.851 1
1 648 . 20 1 1 A 54 54 THR CB C 54 69.793 66.476 3.317 1
1 650 . 20 1 1 A 54 54 THR N N 54 116.238 114.491 1.747 1
1 651 . 20 1 1 A 55 55 VAL H H 55 8.098 7.260 0.838 1
1 652 . 20 1 1 A 55 55 VAL HA H 55 4.017 4.217 -0.200 1
1 660 . 20 1 1 A 55 55 VAL C C 55 176.453 176.141 0.312 1
1 661 . 20 1 1 A 55 55 VAL CA C 55 62.650 63.571 -0.921 1
1 662 . 20 1 1 A 55 55 VAL CB C 55 32.524 33.517 -0.993 1
1 665 . 20 1 1 A 55 55 VAL N N 55 122.445 120.932 1.513 1
1 666 . 20 1 1 A 56 56 GLY H H 56 8.308 7.917 0.391 1
1 667 . 20 1 1 A 56 56 GLY HA2 H 56 3.839 3.894 -0.055 1
1 668 . 20 1 1 A 56 56 GLY HA3 H 56 4.019 3.903 0.116 1
1 669 . 20 1 1 A 56 56 GLY C C 56 173.958 174.895 -0.937 1
1 670 . 20 1 1 A 56 56 GLY CA C 56 45.216 46.736 -1.520 1
1 671 . 20 1 1 A 56 56 GLY N N 56 112.118 109.148 2.970 1
1 672 . 20 1 1 A 57 57 TYR H H 57 8.051 8.376 -0.325 1
1 673 . 20 1 1 A 57 57 TYR HA H 57 4.402 4.393 0.009 1
1 680 . 20 1 1 A 57 57 TYR C C 57 176.557 175.725 0.832 1
1 681 . 20 1 1 A 57 57 TYR CA C 57 58.251 60.365 -2.114 1
1 682 . 20 1 1 A 57 57 TYR CB C 57 38.935 38.681 0.254 1
1 683 . 20 1 1 A 57 57 TYR N N 57 120.259 117.977 2.282 1
1 684 . 20 1 1 A 58 58 GLY H H 58 8.335 7.874 0.461 1
1 685 . 20 1 1 A 58 58 GLY HA2 H 58 3.801 3.831 -0.030 1
1 686 . 20 1 1 A 58 58 GLY HA3 H 58 3.801 4.125 -0.324 1
1 687 . 20 1 1 A 58 58 GLY C C 58 173.911 174.724 -0.813 1
1 688 . 20 1 1 A 58 58 GLY CA C 58 45.311 45.231 0.080 1
1 689 . 20 1 1 A 58 58 GLY N N 58 110.220 106.610 3.610 1
1 690 . 20 1 1 A 59 59 ASP H H 59 8.161 7.555 0.606 1
1 691 . 20 1 1 A 59 59 ASP HA H 59 4.581 4.492 0.089 1
1 694 . 20 1 1 A 59 59 ASP C C 59 175.189 175.426 -0.237 1
1 695 . 20 1 1 A 59 59 ASP CA C 59 53.570 56.578 -3.008 1
1 696 . 20 1 1 A 59 59 ASP CB C 59 38.750 42.001 -3.251 1
1 697 . 20 1 1 A 59 59 ASP N N 59 118.765 121.626 -2.861 1
1 698 . 20 1 1 A 60 60 ARG H H 60 8.086 7.590 0.496 1
1 699 . 20 1 1 A 60 60 ARG HA H 60 4.152 4.795 -0.643 1
1 711 . 20 1 1 A 60 60 ARG C C 60 176.603 174.220 2.383 1
1 712 . 20 1 1 A 60 60 ARG CA C 60 56.825 54.029 2.796 1
1 713 . 20 1 1 A 60 60 ARG CB C 60 30.935 33.655 -2.720 1
1 716 . 20 1 1 A 60 60 ARG N N 60 120.762 116.756 4.006 1
1 718 . 20 1 1 A 61 61 TYR H H 61 8.117 8.502 -0.385 1
1 719 . 20 1 1 A 61 61 TYR HA H 61 4.488 5.195 -0.707 1
1 726 . 20 1 1 A 61 61 TYR CA C 61 56.688 54.866 1.822 1
1 727 . 20 1 1 A 61 61 TYR CB C 61 39.582 39.328 0.254 1
1 728 . 20 1 1 A 61 61 TYR N N 61 121.714 118.154 3.560 1
1 729 . 20 1 1 A 62 62 PRO HA H 62 4.383 4.724 -0.341 1
1 736 . 20 1 1 A 62 62 PRO C C 62 177.441 175.125 2.316 1
1 737 . 20 1 1 A 62 62 PRO CA C 62 63.212 62.456 0.756 1
1 738 . 20 1 1 A 62 62 PRO CB C 62 31.939 33.231 -1.292 1
1 741 . 20 1 1 A 63 63 VAL H H 63 8.217 8.399 -0.182 1
1 742 . 20 1 1 A 63 63 VAL HA H 63 4.164 4.743 -0.579 1
1 750 . 20 1 1 A 63 63 VAL C C 63 176.576 175.437 1.139 1
1 751 . 20 1 1 A 63 63 VAL CA C 63 62.382 59.794 2.588 1
1 752 . 20 1 1 A 63 63 VAL CB C 63 32.862 35.274 -2.412 1
1 755 . 20 1 1 A 63 63 VAL N N 63 120.316 120.804 -0.488 1
1 756 . 20 1 1 A 64 64 THR H H 64 8.084 8.944 -0.860 1
1 757 . 20 1 1 A 64 64 THR HA H 64 4.313 3.956 0.357 1
1 762 . 20 1 1 A 64 64 THR C C 64 174.558 176.426 -1.868 1
1 763 . 20 1 1 A 64 64 THR CA C 64 62.606 66.027 -3.421 1
1 764 . 20 1 1 A 64 64 THR CB C 64 70.496 68.789 1.707 1
1 766 . 20 1 1 A 64 64 THR N N 64 116.779 120.556 -3.777 1
1 767 . 20 1 1 A 65 65 GLU H H 65 8.404 8.145 0.259 1
1 768 . 20 1 1 A 65 65 GLU HA H 65 4.314 4.012 0.302 1
1 773 . 20 1 1 A 65 65 GLU C C 65 175.016 178.313 -3.297 1
1 774 . 20 1 1 A 65 65 GLU CA C 65 57.750 58.859 -1.109 1
1 775 . 20 1 1 A 65 65 GLU CB C 65 30.083 29.123 0.960 1
1 777 . 20 1 1 A 65 65 GLU N N 65 122.323 120.928 1.395 1
1 778 . 20 1 1 A 66 66 GLU H H 66 8.397 7.998 0.399 1
1 779 . 20 1 1 A 66 66 GLU HA H 66 4.224 4.470 -0.246 1
1 784 . 20 1 1 A 66 66 GLU C C 66 176.855 176.751 0.104 1
1 785 . 20 1 1 A 66 66 GLU CA C 66 58.023 57.465 0.558 1
1 786 . 20 1 1 A 66 66 GLU CB C 66 29.857 30.326 -0.469 1
1 788 . 20 1 1 A 66 66 GLU N N 66 122.201 115.275 6.926 1
1 789 . 20 1 1 A 67 67 GLY H H 67 8.376 7.766 0.610 1
1 790 . 20 1 1 A 67 67 GLY HA2 H 67 3.834 4.025 -0.191 1
1 791 . 20 1 1 A 67 67 GLY HA3 H 67 3.834 4.025 -0.191 1
1 792 . 20 1 1 A 67 67 GLY C C 67 173.071 175.319 -2.248 1
1 793 . 20 1 1 A 67 67 GLY CA C 67 45.871 45.886 -0.015 1
1 794 . 20 1 1 A 67 67 GLY N N 67 109.499 108.586 0.913 1
1 795 . 20 1 1 A 68 68 ARG H H 68 8.011 7.755 0.256 1
1 796 . 20 1 1 A 68 68 ARG HA H 68 4.482 4.057 0.425 1
1 808 . 20 1 1 A 68 68 ARG C C 68 177.494 178.326 -0.832 1
1 809 . 20 1 1 A 68 68 ARG CA C 68 57.574 59.296 -1.722 1
1 810 . 20 1 1 A 68 68 ARG CB C 68 30.325 30.157 0.168 1
1 813 . 20 1 1 A 68 68 ARG N N 68 122.501 121.533 0.968 1
1 815 . 20 1 1 A 69 69 LYS H H 69 7.986 8.312 -0.326 1
1 816 . 20 1 1 A 69 69 LYS HA H 69 4.150 4.133 0.017 1
1 825 . 20 1 1 A 69 69 LYS C C 69 178.168 178.861 -0.693 1
1 826 . 20 1 1 A 69 69 LYS CA C 69 57.781 58.054 -0.273 1
1 827 . 20 1 1 A 69 69 LYS CB C 69 32.705 32.185 0.520 1
1 831 . 20 1 1 A 69 69 LYS N N 69 120.934 117.785 3.149 1
1 832 . 20 1 1 A 70 70 VAL H H 70 7.848 7.541 0.307 1
1 833 . 20 1 1 A 70 70 VAL HA H 70 4.088 3.667 0.421 1
1 841 . 20 1 1 A 70 70 VAL C C 70 175.998 177.859 -1.861 1
1 842 . 20 1 1 A 70 70 VAL CA C 70 64.206 66.374 -2.168 1
1 843 . 20 1 1 A 70 70 VAL CB C 70 31.873 31.535 0.338 1
1 846 . 20 1 1 A 70 70 VAL N N 70 120.324 119.660 0.664 1
1 847 . 20 1 1 A 71 71 ALA H H 71 8.300 8.056 0.244 1
1 848 . 20 1 1 A 71 71 ALA HA H 71 4.221 4.090 0.131 1
1 852 . 20 1 1 A 71 71 ALA C C 71 178.225 180.448 -2.223 1
1 853 . 20 1 1 A 71 71 ALA CA C 71 53.106 56.018 -2.912 1
1 854 . 20 1 1 A 71 71 ALA CB C 71 19.128 18.259 0.869 1
1 855 . 20 1 1 A 71 71 ALA N N 71 127.025 122.731 4.294 1
1 856 . 20 1 1 A 72 72 GLU H H 72 8.181 8.156 0.025 1
1 857 . 20 1 1 A 72 72 GLU HA H 72 4.219 4.035 0.184 1
1 862 . 20 1 1 A 72 72 GLU C C 72 176.779 179.108 -2.329 1
1 863 . 20 1 1 A 72 72 GLU CA C 72 56.776 59.644 -2.868 1
1 864 . 20 1 1 A 72 72 GLU CB C 72 28.610 29.017 -0.407 1
1 866 . 20 1 1 A 72 72 GLU N N 72 123.008 117.922 5.086 1
1 867 . 20 1 1 A 73 73 GLN H H 73 8.132 7.560 0.572 1
1 868 . 20 1 1 A 73 73 GLN HA H 73 4.141 4.134 0.007 1
1 875 . 20 1 1 A 73 73 GLN C C 73 175.803 178.388 -2.585 1
1 876 . 20 1 1 A 73 73 GLN CA C 73 56.456 58.536 -2.080 1
1 877 . 20 1 1 A 73 73 GLN CB C 73 28.290 28.232 0.058 1
1 879 . 20 1 1 A 73 73 GLN N N 73 120.564 120.197 0.367 1
1 881 . 20 1 1 A 74 74 VAL H H 74 8.088 7.754 0.334 1
1 882 . 20 1 1 A 74 74 VAL HA H 74 3.986 3.425 0.561 1
1 890 . 20 1 1 A 74 74 VAL C C 74 176.167 177.801 -1.634 1
1 891 . 20 1 1 A 74 74 VAL CA C 74 63.123 66.332 -3.209 1
1 892 . 20 1 1 A 74 74 VAL CB C 74 30.082 31.589 -1.507 1
1 895 . 20 1 1 A 74 74 VAL N N 74 121.828 120.160 1.668 1
1 896 . 20 1 1 A 75 75 MET H H 75 8.167 8.050 0.117 1
1 897 . 20 1 1 A 75 75 MET HA H 75 4.093 3.973 0.120 1
1 903 . 20 1 1 A 75 75 MET C C 75 176.455 178.512 -2.057 1
1 904 . 20 1 1 A 75 75 MET N N 75 123.990 117.047 6.943 1
1 905 . 20 1 1 A 76 76 LYS H H 76 8.287 8.012 0.275 1
1 906 . 20 1 1 A 76 76 LYS HA H 76 4.234 3.943 0.291 1
1 915 . 20 1 1 A 76 76 LYS C C 76 176.220 178.453 -2.233 1
1 916 . 20 1 1 A 76 76 LYS CA C 76 56.765 59.020 -2.255 1
1 917 . 20 1 1 A 76 76 LYS CB C 76 33.055 32.293 0.762 1
1 921 . 20 1 1 A 76 76 LYS N N 76 122.725 120.117 2.608 1
1 922 . 20 1 1 A 77 77 ALA H H 77 8.308 8.130 0.178 1
1 923 . 20 1 1 A 77 77 ALA HA H 77 4.213 4.007 0.206 1
1 927 . 20 1 1 A 77 77 ALA C C 77 178.097 179.768 -1.671 1
1 928 . 20 1 1 A 77 77 ALA CA C 77 52.740 54.857 -2.117 1
1 929 . 20 1 1 A 77 77 ALA CB C 77 19.427 18.403 1.024 1
1 930 . 20 1 1 A 77 77 ALA N N 77 125.316 121.785 3.531 1
1 931 . 20 1 1 A 78 78 GLY H H 78 8.284 7.896 0.388 1
1 932 . 20 1 1 A 78 78 GLY HA2 H 78 3.873 3.273 0.600 1
1 933 . 20 1 1 A 78 78 GLY HA3 H 78 3.873 3.532 0.341 1
1 934 . 20 1 1 A 78 78 GLY C C 78 174.065 175.216 -1.151 1
1 935 . 20 1 1 A 78 78 GLY CA C 78 45.497 47.171 -1.674 1
1 936 . 20 1 1 A 78 78 GLY N N 78 107.778 105.166 2.612 1
1 937 . 20 1 1 A 79 79 ILE H H 79 7.882 8.103 -0.221 1
1 938 . 20 1 1 A 79 79 ILE HA H 79 4.119 3.914 0.205 1
1 948 . 20 1 1 A 79 79 ILE C C 79 176.160 178.281 -2.121 1
1 949 . 20 1 1 A 79 79 ILE CA C 79 61.436 63.991 -2.555 1
1 950 . 20 1 1 A 79 79 ILE CB C 79 38.904 37.228 1.676 1
1 954 . 20 1 1 A 79 79 ILE N N 79 119.794 122.176 -2.382 1
1 955 . 20 1 1 A 80 80 GLU H H 80 8.354 8.225 0.129 1
1 956 . 20 1 1 A 80 80 GLU HA H 80 4.282 4.038 0.244 1
1 961 . 20 1 1 A 80 80 GLU C C 80 176.174 178.854 -2.680 1
1 962 . 20 1 1 A 80 80 GLU CA C 80 57.178 59.355 -2.177 1
1 963 . 20 1 1 A 80 80 GLU CB C 80 30.019 29.369 0.650 1
1 965 . 20 1 1 A 80 80 GLU N N 80 124.311 119.840 4.471 1
1 966 . 20 1 1 A 81 81 VAL H H 81 8.205 7.445 0.760 1
1 967 . 20 1 1 A 81 81 VAL HA H 81 3.985 3.729 0.256 1
1 975 . 20 1 1 A 81 81 VAL C C 81 175.815 178.137 -2.322 1
1 976 . 20 1 1 A 81 81 VAL CA C 81 62.865 65.420 -2.555 1
1 977 . 20 1 1 A 81 81 VAL CB C 81 32.629 31.440 1.189 1
1 980 . 20 1 1 A 81 81 VAL N N 81 121.106 116.724 4.382 1
1 981 . 20 1 1 A 82 82 PHE H H 82 8.252 7.638 0.614 1
1 982 . 20 1 1 A 82 82 PHE HA H 82 4.551 4.104 0.447 1
1 990 . 20 1 1 A 82 82 PHE C C 82 175.631 178.437 -2.806 1
1 991 . 20 1 1 A 82 82 PHE CA C 82 58.206 61.278 -3.072 1
1 992 . 20 1 1 A 82 82 PHE CB C 82 39.431 38.406 1.025 1
1 993 . 20 1 1 A 82 82 PHE N N 82 123.622 120.233 3.389 1
1 994 . 20 1 1 A 83 83 ALA H H 83 8.184 8.501 -0.317 1
1 995 . 20 1 1 A 83 83 ALA HA H 83 4.230 4.185 0.045 1
1 999 . 20 1 1 A 83 83 ALA C C 83 178.025 180.208 -2.183 1
1 1000 . 20 1 1 A 83 83 ALA CA C 83 52.731 55.165 -2.434 1
1 1001 . 20 1 1 A 83 83 ALA CB C 83 19.359 18.143 1.216 1
1 1002 . 20 1 1 A 83 83 ALA N N 83 125.081 123.017 2.064 1
1 1003 . 20 1 1 A 84 84 LEU H H 84 8.104 8.027 0.077 1
1 1004 . 20 1 1 A 84 84 LEU HA H 84 4.167 4.130 0.037 1
1 1014 . 20 1 1 A 84 84 LEU C C 84 176.390 178.981 -2.591 1
1 1015 . 20 1 1 A 84 84 LEU CA C 84 55.786 57.185 -1.399 1
1 1016 . 20 1 1 A 84 84 LEU CB C 84 42.179 41.273 0.906 1
1 1020 . 20 1 1 A 84 84 LEU N N 84 119.064 120.612 -1.548 1
1 1021 . 20 1 1 A 85 85 VAL H H 85 8.155 7.919 0.236 1
1 1022 . 20 1 1 A 85 85 VAL HA H 85 4.073 3.812 0.261 1
1 1030 . 20 1 1 A 85 85 VAL C C 85 176.521 178.296 -1.775 1
1 1031 . 20 1 1 A 85 85 VAL CA C 85 62.762 65.943 -3.181 1
1 1032 . 20 1 1 A 85 85 VAL CB C 85 32.498 31.580 0.918 1
1 1035 . 20 1 1 A 85 85 VAL N N 85 121.743 117.583 4.160 1
1 1036 . 20 1 1 A 86 86 THR H H 86 8.052 7.732 0.320 1
1 1037 . 20 1 1 A 86 86 THR HA H 86 4.141 3.985 0.156 1
1 1042 . 20 1 1 A 86 86 THR C C 86 174.706 176.578 -1.872 1
1 1043 . 20 1 1 A 86 86 THR CA C 86 62.351 66.013 -3.662 1
1 1044 . 20 1 1 A 86 86 THR CB C 86 69.618 68.633 0.985 1
1 1046 . 20 1 1 A 86 86 THR N N 86 117.693 115.631 2.062 1
1 1047 . 20 1 1 A 87 87 ALA H H 87 8.216 8.402 -0.186 1
1 1048 . 20 1 1 A 87 87 ALA HA H 87 4.170 3.986 0.184 1
1 1052 . 20 1 1 A 87 87 ALA C C 87 178.003 179.163 -1.160 1
1 1053 . 20 1 1 A 87 87 ALA CA C 87 52.967 54.946 -1.979 1
1 1054 . 20 1 1 A 87 87 ALA CB C 87 18.326 18.157 0.169 1
1 1055 . 20 1 1 A 87 87 ALA N N 87 126.174 122.942 3.232 1
1 1056 . 20 1 1 A 88 88 ALA H H 88 8.129 8.169 -0.040 1
1 1057 . 20 1 1 A 88 88 ALA HA H 88 4.147 4.599 -0.452 1
1 1061 . 20 1 1 A 88 88 ALA C C 88 178.246 179.421 -1.175 1
1 1062 . 20 1 1 A 88 88 ALA CA C 88 52.961 54.837 -1.876 1
1 1063 . 20 1 1 A 88 88 ALA CB C 88 19.290 19.310 -0.020 1
1 1064 . 20 1 1 A 88 88 ALA N N 88 122.649 119.996 2.653 1
1 1065 . 20 1 1 A 89 89 LEU H H 89 7.992 8.128 -0.136 1
1 1066 . 20 1 1 A 89 89 LEU HA H 89 4.153 4.006 0.147 1
1 1076 . 20 1 1 A 89 89 LEU C C 89 176.375 178.845 -2.470 1
1 1077 . 20 1 1 A 89 89 LEU CA C 89 57.099 58.010 -0.911 1
1 1078 . 20 1 1 A 89 89 LEU CB C 89 42.055 41.412 0.643 1
1 1082 . 20 1 1 A 89 89 LEU N N 89 120.616 118.414 2.202 1
1 1083 . 20 1 1 A 90 90 ALA H H 90 8.168 8.375 -0.207 1
1 1084 . 20 1 1 A 90 90 ALA HA H 90 4.218 4.336 -0.118 1
1 1088 . 20 1 1 A 90 90 ALA C C 90 178.487 179.770 -1.283 1
1 1089 . 20 1 1 A 90 90 ALA CA C 90 53.043 54.322 -1.279 1
1 1090 . 20 1 1 A 90 90 ALA CB C 90 19.269 18.607 0.662 1
1 1091 . 20 1 1 A 90 90 ALA N N 90 124.243 121.583 2.660 1
1 1092 . 20 1 1 A 91 91 THR H H 91 7.988 7.927 0.061 1
1 1093 . 20 1 1 A 91 91 THR HA H 91 4.181 3.893 0.288 1
1 1098 . 20 1 1 A 91 91 THR C C 91 174.931 175.363 -0.432 1
1 1099 . 20 1 1 A 91 91 THR CA C 91 62.190 64.600 -2.410 1
1 1100 . 20 1 1 A 91 91 THR CB C 91 69.198 68.382 0.816 1
1 1102 . 20 1 1 A 91 91 THR N N 91 112.659 111.389 1.270 1
1 1103 . 20 1 1 A 92 92 ASP H H 92 8.254 8.156 0.098 1
1 1104 . 20 1 1 A 92 92 ASP HA H 92 4.541 4.496 0.045 1
1 1107 . 20 1 1 A 92 92 ASP C C 92 175.823 177.722 -1.899 1
1 1108 . 20 1 1 A 92 92 ASP CA C 92 53.570 55.248 -1.678 1
1 1109 . 20 1 1 A 92 92 ASP CB C 92 38.750 40.579 -1.829 1
1 1110 . 20 1 1 A 92 92 ASP N N 92 120.688 121.309 -0.621 1
1 1111 . 20 1 1 A 93 93 PHE H H 93 8.048 7.823 0.225 1
1 1112 . 20 1 1 A 93 93 PHE HA H 93 4.547 4.469 0.078 1
1 1120 . 20 1 1 A 93 93 PHE C C 93 176.384 177.305 -0.921 1
1 1121 . 20 1 1 A 93 93 PHE CA C 93 58.633 58.467 0.166 1
1 1122 . 20 1 1 A 93 93 PHE CB C 93 39.451 38.410 1.041 1
1 1123 . 20 1 1 A 93 93 PHE N N 93 120.763 117.831 2.932 1
1 1124 . 20 1 1 A 94 94 VAL H H 94 7.904 7.446 0.458 1
1 1125 . 20 1 1 A 94 94 VAL HA H 94 4.364 3.136 1.228 1
1 1133 . 20 1 1 A 94 94 VAL C C 94 176.851 178.033 -1.182 1
1 1134 . 20 1 1 A 94 94 VAL CA C 94 63.297 65.959 -2.662 1
1 1135 . 20 1 1 A 94 94 VAL CB C 94 29.241 31.339 -2.098 1
1 1138 . 20 1 1 A 94 94 VAL N N 94 121.478 120.347 1.131 1
1 1139 . 20 1 1 A 95 95 ARG H H 95 8.146 8.018 0.128 1
1 1140 . 20 1 1 A 95 95 ARG HA H 95 4.134 4.039 0.095 1
1 1152 . 20 1 1 A 95 95 ARG C C 95 177.395 178.969 -1.574 1
1 1153 . 20 1 1 A 95 95 ARG CA C 95 55.978 59.199 -3.221 1
1 1154 . 20 1 1 A 95 95 ARG CB C 95 31.070 29.735 1.335 1
1 1157 . 20 1 1 A 95 95 ARG N N 95 122.920 119.522 3.398 1
1 1159 . 20 1 1 A 96 96 ARG H H 96 8.313 8.084 0.229 1
1 1160 . 20 1 1 A 96 96 ARG HA H 96 4.180 4.055 0.125 1
1 1172 . 20 1 1 A 96 96 ARG C C 96 176.839 178.370 -1.531 1
1 1173 . 20 1 1 A 96 96 ARG CA C 96 56.831 59.080 -2.249 1
1 1174 . 20 1 1 A 96 96 ARG CB C 96 30.952 30.063 0.889 1
1 1177 . 20 1 1 A 96 96 ARG N N 96 121.064 120.653 0.411 1
1 1179 . 20 1 1 A 97 97 GLU H H 97 8.356 7.944 0.412 1
1 1180 . 20 1 1 A 97 97 GLU HA H 97 4.220 4.095 0.125 1
1 1185 . 20 1 1 A 97 97 GLU C C 97 176.319 179.223 -2.904 1
1 1186 . 20 1 1 A 97 97 GLU CA C 97 57.408 59.179 -1.771 1
1 1187 . 20 1 1 A 97 97 GLU CB C 97 28.610 29.062 -0.452 1
1 1189 . 20 1 1 A 97 97 GLU N N 97 121.754 118.931 2.823 1
1 1190 . 20 1 1 A 98 98 GLU H H 98 8.328 8.328 0.000 1
1 1191 . 20 1 1 A 98 98 GLU HA H 98 4.240 4.094 0.146 1
1 1196 . 20 1 1 A 98 98 GLU C C 98 176.132 179.326 -3.194 1
1 1197 . 20 1 1 A 98 98 GLU CA C 98 57.666 59.046 -1.380 1
1 1198 . 20 1 1 A 98 98 GLU CB C 98 30.045 29.412 0.633 1
1 1200 . 20 1 1 A 98 98 GLU N N 98 121.414 119.445 1.969 1
1 1201 . 20 1 1 A 99 99 GLU H H 99 8.418 8.284 0.134 1
1 1202 . 20 1 1 A 99 99 GLU HA H 99 4.299 4.074 0.225 1
1 1207 . 20 1 1 A 99 99 GLU C C 99 177.021 179.043 -2.022 1
1 1208 . 20 1 1 A 99 99 GLU CA C 99 57.397 59.257 -1.860 1
1 1209 . 20 1 1 A 99 99 GLU CB C 99 30.309 29.296 1.013 1
1 1211 . 20 1 1 A 99 99 GLU N N 99 121.312 119.897 1.415 1
1 1212 . 20 1 1 A 100 100 ARG H H 100 8.013 8.164 -0.151 1
1 1213 . 20 1 1 A 100 100 ARG HA H 100 4.180 4.054 0.126 1
1 1225 . 20 1 1 A 100 100 ARG C C 100 176.313 178.468 -2.155 1
1 1226 . 20 1 1 A 100 100 ARG CA C 100 57.238 59.044 -1.806 1
1 1227 . 20 1 1 A 100 100 ARG CB C 100 30.298 29.768 0.530 1
1 1230 . 20 1 1 A 100 100 ARG N N 100 121.871 119.987 1.884 1
1 1232 . 20 1 1 A 101 101 ARG H H 101 8.260 7.409 0.851 1
1 1233 . 20 1 1 A 101 101 ARG HA H 101 4.260 4.325 -0.065 1
1 1245 . 20 1 1 A 101 101 ARG C C 101 176.753 176.569 0.184 1
1 1246 . 20 1 1 A 101 101 ARG CA C 101 56.492 55.907 0.585 1
1 1247 . 20 1 1 A 101 101 ARG CB C 101 30.838 30.807 0.031 1
1 1250 . 20 1 1 A 101 101 ARG N N 101 122.019 115.406 6.613 1
1 1252 . 20 1 1 A 102 102 GLY H H 102 8.380 9.089 -0.709 1
1 1253 . 20 1 1 A 102 102 GLY HA2 H 102 3.849 3.927 -0.078 1
1 1254 . 20 1 1 A 102 102 GLY HA3 H 102 3.849 3.940 -0.091 1
1 1255 . 20 1 1 A 102 102 GLY C C 102 173.145 173.444 -0.299 1
1 1256 . 20 1 1 A 102 102 GLY CA C 102 45.401 45.407 -0.006 1
1 1257 . 20 1 1 A 102 102 GLY N N 102 110.110 108.230 1.880 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 98 1.764 1
2 1 1 1 "RMS(OBS, PRED)" CA 100 2.006 1
3 1 1 1 "RMS(OBS, PRED)" CB 93 1.180 1
4 1 1 1 "RMS(OBS, PRED)" H 98 0.389 1
5 1 1 1 "RMS(OBS, PRED)" HA 108 0.290 1
6 1 1 1 "RMS(OBS, PRED)" N 98 2.662 1
7 1 2 1 "RMS(OBS, PRED)" C 98 1.784 1
8 1 2 1 "RMS(OBS, PRED)" CA 100 2.061 1
9 1 2 1 "RMS(OBS, PRED)" CB 93 1.329 1
10 1 2 1 "RMS(OBS, PRED)" H 98 0.403 1
11 1 2 1 "RMS(OBS, PRED)" HA 108 0.286 1
12 1 2 1 "RMS(OBS, PRED)" N 98 2.800 1
13 1 3 1 "RMS(OBS, PRED)" C 98 1.768 1
14 1 3 1 "RMS(OBS, PRED)" CA 100 2.124 1
15 1 3 1 "RMS(OBS, PRED)" CB 93 1.322 1
16 1 3 1 "RMS(OBS, PRED)" H 98 0.398 1
17 1 3 1 "RMS(OBS, PRED)" HA 108 0.259 1
18 1 3 1 "RMS(OBS, PRED)" N 98 2.648 1
19 1 4 1 "RMS(OBS, PRED)" C 98 1.813 1
20 1 4 1 "RMS(OBS, PRED)" CA 100 2.106 1
21 1 4 1 "RMS(OBS, PRED)" CB 93 1.259 1
22 1 4 1 "RMS(OBS, PRED)" H 98 0.423 1
23 1 4 1 "RMS(OBS, PRED)" HA 108 0.294 1
24 1 4 1 "RMS(OBS, PRED)" N 98 2.596 1
25 1 5 1 "RMS(OBS, PRED)" C 98 1.740 1
26 1 5 1 "RMS(OBS, PRED)" CA 100 2.030 1
27 1 5 1 "RMS(OBS, PRED)" CB 93 1.285 1
28 1 5 1 "RMS(OBS, PRED)" H 98 0.390 1
29 1 5 1 "RMS(OBS, PRED)" HA 108 0.275 1
30 1 5 1 "RMS(OBS, PRED)" N 98 2.627 1
31 1 6 1 "RMS(OBS, PRED)" C 98 1.791 1
32 1 6 1 "RMS(OBS, PRED)" CA 100 2.240 1
33 1 6 1 "RMS(OBS, PRED)" CB 93 1.178 1
34 1 6 1 "RMS(OBS, PRED)" H 98 0.442 1
35 1 6 1 "RMS(OBS, PRED)" HA 108 0.297 1
36 1 6 1 "RMS(OBS, PRED)" N 98 2.970 1
37 1 7 1 "RMS(OBS, PRED)" C 98 1.815 1
38 1 7 1 "RMS(OBS, PRED)" CA 100 2.043 1
39 1 7 1 "RMS(OBS, PRED)" CB 93 1.182 1
40 1 7 1 "RMS(OBS, PRED)" H 98 0.370 1
41 1 7 1 "RMS(OBS, PRED)" HA 108 0.273 1
42 1 7 1 "RMS(OBS, PRED)" N 98 2.860 1
43 1 8 1 "RMS(OBS, PRED)" C 98 1.799 1
44 1 8 1 "RMS(OBS, PRED)" CA 100 2.139 1
45 1 8 1 "RMS(OBS, PRED)" CB 93 1.330 1
46 1 8 1 "RMS(OBS, PRED)" H 98 0.431 1
47 1 8 1 "RMS(OBS, PRED)" HA 108 0.285 1
48 1 8 1 "RMS(OBS, PRED)" N 98 2.684 1
49 1 9 1 "RMS(OBS, PRED)" C 98 1.776 1
50 1 9 1 "RMS(OBS, PRED)" CA 100 2.133 1
51 1 9 1 "RMS(OBS, PRED)" CB 93 1.305 1
52 1 9 1 "RMS(OBS, PRED)" H 98 0.461 1
53 1 9 1 "RMS(OBS, PRED)" HA 108 0.291 1
54 1 9 1 "RMS(OBS, PRED)" N 98 2.717 1
55 1 10 1 "RMS(OBS, PRED)" C 98 1.809 1
56 1 10 1 "RMS(OBS, PRED)" CA 100 1.992 1
57 1 10 1 "RMS(OBS, PRED)" CB 93 1.247 1
58 1 10 1 "RMS(OBS, PRED)" H 98 0.432 1
59 1 10 1 "RMS(OBS, PRED)" HA 108 0.270 1
60 1 10 1 "RMS(OBS, PRED)" N 98 2.559 1
61 1 11 1 "RMS(OBS, PRED)" C 98 1.809 1
62 1 11 1 "RMS(OBS, PRED)" CA 100 2.195 1
63 1 11 1 "RMS(OBS, PRED)" CB 93 1.190 1
64 1 11 1 "RMS(OBS, PRED)" H 98 0.424 1
65 1 11 1 "RMS(OBS, PRED)" HA 108 0.284 1
66 1 11 1 "RMS(OBS, PRED)" N 98 2.529 1
67 1 12 1 "RMS(OBS, PRED)" C 98 1.803 1
68 1 12 1 "RMS(OBS, PRED)" CA 100 2.099 1
69 1 12 1 "RMS(OBS, PRED)" CB 93 1.182 1
70 1 12 1 "RMS(OBS, PRED)" H 98 0.405 1
71 1 12 1 "RMS(OBS, PRED)" HA 108 0.259 1
72 1 12 1 "RMS(OBS, PRED)" N 98 2.525 1
73 1 13 1 "RMS(OBS, PRED)" C 98 1.888 1
74 1 13 1 "RMS(OBS, PRED)" CA 100 2.158 1
75 1 13 1 "RMS(OBS, PRED)" CB 93 1.188 1
76 1 13 1 "RMS(OBS, PRED)" H 98 0.424 1
77 1 13 1 "RMS(OBS, PRED)" HA 108 0.287 1
78 1 13 1 "RMS(OBS, PRED)" N 98 2.765 1
79 1 14 1 "RMS(OBS, PRED)" C 98 1.827 1
80 1 14 1 "RMS(OBS, PRED)" CA 100 2.057 1
81 1 14 1 "RMS(OBS, PRED)" CB 93 1.242 1
82 1 14 1 "RMS(OBS, PRED)" H 98 0.418 1
83 1 14 1 "RMS(OBS, PRED)" HA 108 0.257 1
84 1 14 1 "RMS(OBS, PRED)" N 98 2.603 1
85 1 15 1 "RMS(OBS, PRED)" C 98 1.800 1
86 1 15 1 "RMS(OBS, PRED)" CA 100 2.103 1
87 1 15 1 "RMS(OBS, PRED)" CB 93 1.273 1
88 1 15 1 "RMS(OBS, PRED)" H 98 0.467 1
89 1 15 1 "RMS(OBS, PRED)" HA 108 0.274 1
90 1 15 1 "RMS(OBS, PRED)" N 98 2.669 1
91 1 16 1 "RMS(OBS, PRED)" C 98 1.833 1
92 1 16 1 "RMS(OBS, PRED)" CA 100 2.214 1
93 1 16 1 "RMS(OBS, PRED)" CB 93 1.140 1
94 1 16 1 "RMS(OBS, PRED)" H 98 0.430 1
95 1 16 1 "RMS(OBS, PRED)" HA 108 0.252 1
96 1 16 1 "RMS(OBS, PRED)" N 98 2.755 1
97 1 17 1 "RMS(OBS, PRED)" C 98 1.738 1
98 1 17 1 "RMS(OBS, PRED)" CA 100 1.977 1
99 1 17 1 "RMS(OBS, PRED)" CB 93 1.412 1
100 1 17 1 "RMS(OBS, PRED)" H 98 0.380 1
101 1 17 1 "RMS(OBS, PRED)" HA 108 0.279 1
102 1 17 1 "RMS(OBS, PRED)" N 98 2.698 1
103 1 18 1 "RMS(OBS, PRED)" C 98 1.841 1
104 1 18 1 "RMS(OBS, PRED)" CA 100 2.199 1
105 1 18 1 "RMS(OBS, PRED)" CB 93 1.223 1
106 1 18 1 "RMS(OBS, PRED)" H 98 0.436 1
107 1 18 1 "RMS(OBS, PRED)" HA 108 0.277 1
108 1 18 1 "RMS(OBS, PRED)" N 98 2.688 1
109 1 19 1 "RMS(OBS, PRED)" C 98 1.722 1
110 1 19 1 "RMS(OBS, PRED)" CA 100 2.176 1
111 1 19 1 "RMS(OBS, PRED)" CB 93 1.247 1
112 1 19 1 "RMS(OBS, PRED)" H 98 0.443 1
113 1 19 1 "RMS(OBS, PRED)" HA 108 0.267 1
114 1 19 1 "RMS(OBS, PRED)" N 98 2.743 1
115 1 20 1 "RMS(OBS, PRED)" C 98 1.862 1
116 1 20 1 "RMS(OBS, PRED)" CA 100 2.188 1
117 1 20 1 "RMS(OBS, PRED)" CB 93 1.175 1
118 1 20 1 "RMS(OBS, PRED)" H 98 0.440 1
119 1 20 1 "RMS(OBS, PRED)" HA 108 0.295 1
120 1 20 1 "RMS(OBS, PRED)" N 98 2.732 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 ALA H H 2 8.742 8.223 0.519 2
1 10 . 1 1 A 2 2 ALA HA H 2 4.302 4.221 0.081 2
1 14 . 1 1 A 2 2 ALA C C 2 177.216 177.350 -0.134 2
1 15 . 1 1 A 2 2 ALA CA C 2 52.876 53.217 -0.341 2
1 16 . 1 1 A 2 2 ALA CB C 2 19.182 19.274 -0.092 2
1 17 . 1 1 A 2 2 ALA N N 2 124.657 124.376 0.281 2
1 18 . 1 1 A 3 3 ASP H H 3 8.432 8.393 0.039 2
1 19 . 1 1 A 3 3 ASP HA H 3 4.530 4.543 -0.013 2
1 22 . 1 1 A 3 3 ASP C C 3 176.023 177.192 -1.169 2
1 23 . 1 1 A 3 3 ASP CA C 3 53.721 55.935 -2.214 2
1 24 . 1 1 A 3 3 ASP CB C 3 38.752 40.892 -2.140 2
1 25 . 1 1 A 3 3 ASP N N 3 118.729 116.717 2.012 2
1 26 . 1 1 A 4 4 HIS H H 4 8.549 8.177 0.372 2
1 27 . 1 1 A 4 4 HIS HA H 4 4.568 4.404 0.164 2
1 32 . 1 1 A 4 4 HIS C C 4 175.101 177.166 -2.065 2
1 33 . 1 1 A 4 4 HIS CA C 4 56.640 58.385 -1.745 2
1 34 . 1 1 A 4 4 HIS CB C 4 28.961 29.063 -0.102 2
1 37 . 1 1 A 4 4 HIS N N 4 119.650 117.356 2.294 2
1 38 . 1 1 A 5 5 GLU H H 5 8.330 8.069 0.261 2
1 39 . 1 1 A 5 5 GLU HA H 5 4.207 3.986 0.221 2
1 44 . 1 1 A 5 5 GLU C C 5 175.749 179.077 -3.328 2
1 45 . 1 1 A 5 5 GLU CA C 5 56.594 59.430 -2.836 2
1 46 . 1 1 A 5 5 GLU CB C 5 29.285 29.085 0.200 2
1 48 . 1 1 A 5 5 GLU N N 5 120.937 120.263 0.674 2
1 49 . 1 1 A 6 6 ARG H H 6 8.325 7.922 0.403 2
1 50 . 1 1 A 6 6 ARG HA H 6 4.571 4.088 0.483 2
1 62 . 1 1 A 6 6 ARG C C 6 177.578 178.781 -1.203 2
1 63 . 1 1 A 6 6 ARG CA C 6 56.716 59.279 -2.563 2
1 64 . 1 1 A 6 6 ARG CB C 6 30.744 29.846 0.898 2
1 67 . 1 1 A 6 6 ARG N N 6 120.267 119.910 0.357 2
1 69 . 1 1 A 7 7 GLU H H 7 8.136 7.971 0.165 2
1 70 . 1 1 A 7 7 GLU HA H 7 4.165 4.098 0.067 2
1 75 . 1 1 A 7 7 GLU C C 7 177.156 178.715 -1.559 2
1 76 . 1 1 A 7 7 GLU CA C 7 57.125 59.092 -1.967 2
1 77 . 1 1 A 7 7 GLU CB C 7 30.149 29.189 0.960 2
1 79 . 1 1 A 7 7 GLU N N 7 121.008 119.297 1.711 2
1 80 . 1 1 A 8 8 ALA H H 8 8.325 8.068 0.257 2
1 81 . 1 1 A 8 8 ALA HA H 8 4.212 4.057 0.155 2
1 85 . 1 1 A 8 8 ALA C C 8 178.913 179.402 -0.489 2
1 86 . 1 1 A 8 8 ALA CA C 8 52.832 55.240 -2.408 2
1 87 . 1 1 A 8 8 ALA CB C 8 18.909 18.236 0.673 2
1 88 . 1 1 A 8 8 ALA N N 8 124.538 122.108 2.430 2
1 89 . 1 1 A 9 9 GLN H H 9 8.159 7.970 0.189 2
1 90 . 1 1 A 9 9 GLN HA H 9 4.140 4.023 0.117 2
1 97 . 1 1 A 9 9 GLN C C 9 175.771 178.328 -2.557 2
1 98 . 1 1 A 9 9 GLN CA C 9 57.655 58.809 -1.154 2
1 99 . 1 1 A 9 9 GLN CB C 9 28.606 28.299 0.307 2
1 101 . 1 1 A 9 9 GLN N N 9 124.103 117.660 6.443 2
1 103 . 1 1 A 10 10 LYS H H 10 8.148 7.900 0.248 2
1 104 . 1 1 A 10 10 LYS HA H 10 4.204 4.073 0.131 2
1 113 . 1 1 A 10 10 LYS C C 10 177.798 178.692 -0.894 2
1 114 . 1 1 A 10 10 LYS CA C 10 57.139 58.766 -1.627 2
1 115 . 1 1 A 10 10 LYS CB C 10 33.040 32.126 0.914 2
1 119 . 1 1 A 10 10 LYS N N 10 120.635 119.687 0.948 2
1 120 . 1 1 A 11 11 ALA H H 11 8.148 8.013 0.135 2
1 121 . 1 1 A 11 11 ALA HA H 11 4.140 4.018 0.122 2
1 125 . 1 1 A 11 11 ALA C C 11 178.173 179.946 -1.773 2
1 126 . 1 1 A 11 11 ALA CA C 11 53.351 55.008 -1.657 2
1 127 . 1 1 A 11 11 ALA CB C 11 19.128 18.215 0.913 2
1 128 . 1 1 A 11 11 ALA N N 11 123.171 121.630 1.541 2
1 129 . 1 1 A 12 12 GLU H H 12 8.248 7.784 0.464 2
1 130 . 1 1 A 12 12 GLU HA H 12 4.222 3.995 0.227 2
1 135 . 1 1 A 12 12 GLU C C 12 176.385 179.249 -2.864 2
1 136 . 1 1 A 12 12 GLU CA C 12 57.442 59.446 -2.004 2
1 137 . 1 1 A 12 12 GLU CB C 12 30.001 29.143 0.858 2
1 139 . 1 1 A 12 12 GLU N N 12 119.451 118.275 1.176 2
1 140 . 1 1 A 13 13 GLU H H 13 8.372 7.898 0.474 2
1 141 . 1 1 A 13 13 GLU HA H 13 4.265 4.106 0.159 2
1 146 . 1 1 A 13 13 GLU C C 13 178.060 179.386 -1.326 2
1 147 . 1 1 A 13 13 GLU CA C 13 56.828 59.096 -2.268 2
1 148 . 1 1 A 13 13 GLU CB C 13 30.082 29.206 0.876 2
1 150 . 1 1 A 13 13 GLU N N 13 121.080 120.406 0.674 2
1 151 . 1 1 A 14 14 GLU H H 14 8.152 7.701 0.451 2
1 152 . 1 1 A 14 14 GLU HA H 14 4.142 4.104 0.038 2
1 157 . 1 1 A 14 14 GLU C C 14 176.274 178.773 -2.499 2
1 158 . 1 1 A 14 14 GLU CA C 14 56.892 59.011 -2.119 2
1 159 . 1 1 A 14 14 GLU CB C 14 28.169 29.364 -1.195 2
1 161 . 1 1 A 14 14 GLU N N 14 120.236 119.985 0.251 2
1 162 . 1 1 A 15 15 LEU H H 15 8.301 7.794 0.507 2
1 163 . 1 1 A 15 15 LEU HA H 15 4.224 4.010 0.214 2
1 173 . 1 1 A 15 15 LEU C C 15 177.983 178.703 -0.720 2
1 174 . 1 1 A 15 15 LEU CA C 15 56.344 57.680 -1.336 2
1 175 . 1 1 A 15 15 LEU CB C 15 42.250 41.607 0.643 2
1 179 . 1 1 A 15 15 LEU N N 15 123.072 121.249 1.823 2
1 180 . 1 1 A 16 16 GLN H H 16 8.132 7.833 0.299 2
1 181 . 1 1 A 16 16 GLN HA H 16 4.145 4.022 0.123 2
1 188 . 1 1 A 16 16 GLN C C 16 177.674 178.843 -1.169 2
1 189 . 1 1 A 16 16 GLN CA C 16 57.971 59.103 -1.132 2
1 190 . 1 1 A 16 16 GLN CB C 16 29.889 28.113 1.776 2
1 192 . 1 1 A 16 16 GLN N N 16 119.160 117.978 1.182 2
1 194 . 1 1 A 17 17 LYS H H 17 8.214 7.489 0.724 2
1 195 . 1 1 A 17 17 LYS HA H 17 4.140 4.168 -0.028 2
1 204 . 1 1 A 17 17 LYS C C 17 177.646 179.054 -1.408 2
1 205 . 1 1 A 17 17 LYS CA C 17 57.115 58.983 -1.868 2
1 206 . 1 1 A 17 17 LYS CB C 17 32.833 32.251 0.582 2
1 210 . 1 1 A 17 17 LYS N N 17 120.310 121.134 -0.824 2
1 211 . 1 1 A 18 18 VAL H H 18 7.871 7.543 0.328 2
1 212 . 1 1 A 18 18 VAL HA H 18 4.108 3.638 0.470 2
1 220 . 1 1 A 18 18 VAL C C 18 177.476 178.172 -0.696 2
1 221 . 1 1 A 18 18 VAL CA C 18 63.634 66.150 -2.517 2
1 222 . 1 1 A 18 18 VAL CB C 18 31.886 31.389 0.497 2
1 225 . 1 1 A 18 18 VAL N N 18 120.571 119.904 0.667 2
1 226 . 1 1 A 19 19 LEU H H 19 8.180 7.988 0.192 2
1 227 . 1 1 A 19 19 LEU HA H 19 4.042 3.931 0.111 2
1 237 . 1 1 A 19 19 LEU C C 19 179.462 179.494 -0.032 2
1 238 . 1 1 A 19 19 LEU CA C 19 57.653 58.173 -0.520 2
1 239 . 1 1 A 19 19 LEU CB C 19 41.800 41.219 0.581 2
1 243 . 1 1 A 19 19 LEU N N 19 122.936 120.638 2.298 2
1 244 . 1 1 A 20 20 GLU H H 20 8.122 7.929 0.193 2
1 245 . 1 1 A 20 20 GLU HA H 20 4.156 4.078 0.078 2
1 250 . 1 1 A 20 20 GLU C C 20 178.001 179.371 -1.370 2
1 251 . 1 1 A 20 20 GLU CA C 20 58.045 59.614 -1.569 2
1 252 . 1 1 A 20 20 GLU CB C 20 30.092 29.209 0.882 2
1 254 . 1 1 A 20 20 GLU N N 20 118.745 118.404 0.341 2
1 255 . 1 1 A 21 21 GLU H H 21 8.190 7.886 0.304 2
1 256 . 1 1 A 21 21 GLU HA H 21 4.144 4.092 0.052 2
1 261 . 1 1 A 21 21 GLU C C 21 177.290 178.919 -1.629 2
1 262 . 1 1 A 21 21 GLU CA C 21 58.109 59.172 -1.063 2
1 263 . 1 1 A 21 21 GLU CB C 21 29.868 29.462 0.406 2
1 265 . 1 1 A 21 21 GLU N N 21 119.542 120.464 -0.922 2
1 266 . 1 1 A 22 22 ALA H H 22 8.092 8.598 -0.506 2
1 267 . 1 1 A 22 22 ALA HA H 22 4.173 4.154 0.019 2
1 271 . 1 1 A 22 22 ALA C C 22 179.020 179.848 -0.828 2
1 272 . 1 1 A 22 22 ALA CA C 22 53.944 55.202 -1.258 2
1 273 . 1 1 A 22 22 ALA CB C 22 18.578 18.206 0.372 2
1 274 . 1 1 A 22 22 ALA N N 22 123.378 123.048 0.330 2
1 275 . 1 1 A 23 23 SER H H 23 8.079 8.221 -0.142 2
1 276 . 1 1 A 23 23 SER HA H 23 4.300 4.271 0.029 2
1 279 . 1 1 A 23 23 SER C C 23 173.125 176.494 -3.369 2
1 280 . 1 1 A 23 23 SER CA C 23 59.414 61.538 -2.124 2
1 281 . 1 1 A 23 23 SER CB C 23 63.520 62.765 0.755 2
1 282 . 1 1 A 23 23 SER N N 23 114.637 113.324 1.313 2
1 283 . 1 1 A 24 24 LYS H H 24 8.032 7.796 0.236 2
1 284 . 1 1 A 24 24 LYS HA H 24 4.325 4.097 0.228 2
1 293 . 1 1 A 24 24 LYS C C 24 175.423 178.987 -3.564 2
1 294 . 1 1 A 24 24 LYS CA C 24 57.273 59.547 -2.274 2
1 295 . 1 1 A 24 24 LYS CB C 24 31.200 32.373 -1.173 2
1 299 . 1 1 A 24 24 LYS N N 24 122.635 121.491 1.144 2
1 300 . 1 1 A 25 25 LYS H H 25 8.042 8.029 0.013 2
1 301 . 1 1 A 25 25 LYS HA H 25 4.169 4.079 0.090 2
1 310 . 1 1 A 25 25 LYS C C 25 177.025 179.181 -2.156 2
1 311 . 1 1 A 25 25 LYS CA C 25 56.876 59.518 -2.642 2
1 312 . 1 1 A 25 25 LYS CB C 25 31.200 32.311 -1.111 2
1 316 . 1 1 A 25 25 LYS N N 25 121.079 119.265 1.814 2
1 317 . 1 1 A 26 26 ALA H H 26 8.103 8.475 -0.372 2
1 318 . 1 1 A 26 26 ALA HA H 26 4.196 3.994 0.202 2
1 322 . 1 1 A 26 26 ALA C C 26 178.418 179.887 -1.469 2
1 323 . 1 1 A 26 26 ALA CA C 26 53.049 55.150 -2.101 2
1 324 . 1 1 A 26 26 ALA CB C 26 19.055 18.361 0.694 2
1 325 . 1 1 A 26 26 ALA N N 26 124.589 122.423 2.166 2
1 326 . 1 1 A 27 27 VAL H H 27 8.030 7.862 0.168 2
1 327 . 1 1 A 27 27 VAL HA H 27 3.945 3.589 0.356 2
1 335 . 1 1 A 27 27 VAL C C 27 179.177 177.710 1.467 2
1 336 . 1 1 A 27 27 VAL CA C 27 63.001 65.528 -2.527 2
1 337 . 1 1 A 27 27 VAL CB C 27 32.449 31.296 1.153 2
1 340 . 1 1 A 27 27 VAL N N 27 119.340 117.376 1.964 2
1 341 . 1 1 A 28 28 GLU H H 28 8.187 7.882 0.305 2
1 342 . 1 1 A 28 28 GLU HA H 28 4.166 4.068 0.098 2
1 347 . 1 1 A 28 28 GLU C C 28 176.411 178.760 -2.349 2
1 348 . 1 1 A 28 28 GLU CA C 28 57.290 59.025 -1.735 2
1 349 . 1 1 A 28 28 GLU CB C 28 30.025 29.145 0.880 2
1 351 . 1 1 A 28 28 GLU N N 28 120.351 120.865 -0.513 2
1 352 . 1 1 A 29 29 ALA H H 29 8.173 8.367 -0.194 2
1 353 . 1 1 A 29 29 ALA HA H 29 4.230 4.066 0.164 2
1 357 . 1 1 A 29 29 ALA C C 29 176.924 179.374 -2.450 2
1 358 . 1 1 A 29 29 ALA CA C 29 53.338 54.971 -1.634 2
1 359 . 1 1 A 29 29 ALA CB C 29 18.964 18.360 0.604 2
1 360 . 1 1 A 29 29 ALA N N 29 124.463 122.254 2.208 2
1 361 . 1 1 A 30 30 GLU H H 30 8.239 8.171 0.068 2
1 362 . 1 1 A 30 30 GLU HA H 30 4.251 4.104 0.147 2
1 367 . 1 1 A 30 30 GLU C C 30 175.016 177.179 -2.163 2
1 368 . 1 1 A 30 30 GLU CA C 30 58.033 58.636 -0.603 2
1 369 . 1 1 A 30 30 GLU CB C 30 29.996 29.523 0.473 2
1 371 . 1 1 A 30 30 GLU N N 30 122.971 118.177 4.795 2
1 372 . 1 1 A 31 31 ARG H H 31 8.261 7.750 0.511 2
1 373 . 1 1 A 31 31 ARG HA H 31 4.255 4.165 0.090 2
1 385 . 1 1 A 31 31 ARG C C 31 176.727 176.788 -0.061 2
1 386 . 1 1 A 31 31 ARG CA C 31 56.565 56.925 -0.360 2
1 387 . 1 1 A 31 31 ARG CB C 31 30.783 29.366 1.417 2
1 390 . 1 1 A 31 31 ARG N N 31 121.894 119.315 2.579 2
1 392 . 1 1 A 32 32 GLY H H 32 8.302 8.436 -0.134 2
1 393 . 1 1 A 32 32 GLY HA2 H 32 3.852 4.017 -0.165 2
1 394 . 1 1 A 32 32 GLY HA3 H 32 3.852 4.018 -0.166 2
1 395 . 1 1 A 32 32 GLY C C 32 173.994 174.518 -0.524 2
1 396 . 1 1 A 32 32 GLY CA C 32 45.077 45.259 -0.182 2
1 397 . 1 1 A 32 32 GLY N N 32 109.773 112.443 -2.670 2
1 398 . 1 1 A 33 33 ALA H H 33 8.011 7.823 0.188 2
1 399 . 1 1 A 33 33 ALA HA H 33 4.212 4.556 -0.344 2
1 403 . 1 1 A 33 33 ALA CA C 33 50.522 50.499 0.023 2
1 404 . 1 1 A 33 33 ALA CB C 33 18.962 19.737 -0.775 2
1 405 . 1 1 A 33 33 ALA N N 33 123.601 124.005 -0.404 2
1 406 . 1 1 A 34 34 PRO HA H 34 4.352 4.306 0.046 2
1 413 . 1 1 A 34 34 PRO C C 34 177.746 177.495 0.251 2
1 414 . 1 1 A 34 34 PRO CA C 34 63.520 63.703 -0.183 2
1 415 . 1 1 A 34 34 PRO CB C 34 31.938 31.621 0.317 2
1 418 . 1 1 A 35 35 GLY H H 35 8.433 8.833 -0.400 2
1 419 . 1 1 A 35 35 GLY HA2 H 35 3.848 3.934 -0.086 2
1 420 . 1 1 A 35 35 GLY HA3 H 35 3.848 3.941 -0.093 2
1 421 . 1 1 A 35 35 GLY C C 35 173.266 174.809 -1.543 2
1 422 . 1 1 A 35 35 GLY CA C 35 45.405 45.440 -0.035 2
1 423 . 1 1 A 35 35 GLY N N 35 109.298 112.110 -2.812 2
1 424 . 1 1 A 36 36 ALA H H 36 8.095 7.829 0.266 2
1 425 . 1 1 A 36 36 ALA HA H 36 4.196 4.266 -0.070 2
1 429 . 1 1 A 36 36 ALA C C 36 177.944 177.013 0.931 2
1 430 . 1 1 A 36 36 ALA CA C 36 52.551 52.678 -0.127 2
1 431 . 1 1 A 36 36 ALA CB C 36 19.485 19.571 -0.086 2
1 432 . 1 1 A 36 36 ALA N N 36 124.605 122.957 1.647 2
1 433 . 1 1 A 37 37 ALA H H 37 8.199 8.708 -0.509 2
1 434 . 1 1 A 37 37 ALA HA H 37 4.491 4.377 0.114 2
1 438 . 1 1 A 37 37 ALA C C 37 177.456 176.952 0.504 2
1 439 . 1 1 A 37 37 ALA CA C 37 52.453 52.806 -0.353 2
1 440 . 1 1 A 37 37 ALA CB C 37 19.060 20.467 -1.407 2
1 441 . 1 1 A 37 37 ALA N N 37 123.695 122.102 1.593 2
1 442 . 1 1 A 38 38 LEU H H 38 8.099 7.933 0.166 2
1 443 . 1 1 A 38 38 LEU HA H 38 4.243 4.222 0.021 2
1 453 . 1 1 A 38 38 LEU C C 38 177.358 176.291 1.067 2
1 454 . 1 1 A 38 38 LEU CA C 38 55.218 54.611 0.607 2
1 455 . 1 1 A 38 38 LEU CB C 38 42.228 41.367 0.861 2
1 459 . 1 1 A 38 38 LEU N N 38 121.531 118.469 3.062 2
1 460 . 1 1 A 39 39 ILE H H 39 7.966 8.060 -0.094 2
1 461 . 1 1 A 39 39 ILE HA H 39 4.136 4.309 -0.173 2
1 471 . 1 1 A 39 39 ILE C C 39 175.586 175.036 0.550 2
1 472 . 1 1 A 39 39 ILE CA C 39 60.873 60.706 0.167 2
1 473 . 1 1 A 39 39 ILE CB C 39 38.727 38.338 0.389 2
1 477 . 1 1 A 39 39 ILE N N 39 121.669 121.896 -0.227 2
1 478 . 1 1 A 40 40 SER H H 40 8.101 8.108 -0.007 2
1 479 . 1 1 A 40 40 SER HA H 40 4.347 4.681 -0.334 2
1 482 . 1 1 A 40 40 SER C C 40 173.336 173.733 -0.397 2
1 483 . 1 1 A 40 40 SER CA C 40 57.331 58.063 -0.732 2
1 484 . 1 1 A 40 40 SER CB C 40 63.983 64.301 -0.318 2
1 485 . 1 1 A 40 40 SER N N 40 119.591 118.506 1.085 2
1 486 . 1 1 A 41 41 TYR H H 41 8.100 8.931 -0.831 2
1 487 . 1 1 A 41 41 TYR HA H 41 4.436 4.348 0.088 2
1 494 . 1 1 A 41 41 TYR CA C 41 56.067 61.602 -5.535 2
1 495 . 1 1 A 41 41 TYR CB C 41 38.244 38.153 0.091 2
1 496 . 1 1 A 41 41 TYR N N 41 122.744 124.601 -1.857 2
1 497 . 1 1 A 42 42 PRO HA H 42 4.281 4.279 0.002 2
1 504 . 1 1 A 42 42 PRO C C 42 176.765 177.450 -0.685 2
1 505 . 1 1 A 42 42 PRO CA C 42 63.650 64.800 -1.150 2
1 506 . 1 1 A 42 42 PRO CB C 42 30.513 31.302 -0.789 2
1 509 . 1 1 A 43 43 ASP H H 43 8.305 8.392 -0.087 2
1 510 . 1 1 A 43 43 ASP HA H 43 4.548 4.554 -0.006 2
1 513 . 1 1 A 43 43 ASP C C 43 175.135 178.224 -3.089 2
1 514 . 1 1 A 43 43 ASP CA C 43 53.570 55.579 -2.009 2
1 515 . 1 1 A 43 43 ASP CB C 43 38.450 41.019 -2.569 2
1 516 . 1 1 A 43 43 ASP N N 43 118.052 117.361 0.691 2
1 517 . 1 1 A 44 44 ALA H H 44 8.013 8.121 -0.108 2
1 518 . 1 1 A 44 44 ALA HA H 44 4.106 4.193 -0.087 2
1 522 . 1 1 A 44 44 ALA C C 44 177.969 179.997 -2.028 2
1 523 . 1 1 A 44 44 ALA CA C 44 52.867 55.100 -2.233 2
1 524 . 1 1 A 44 44 ALA CB C 44 19.023 18.343 0.680 2
1 525 . 1 1 A 44 44 ALA N N 44 123.344 122.707 0.637 2
1 526 . 1 1 A 45 45 ILE H H 45 7.860 7.984 -0.124 2
1 527 . 1 1 A 45 45 ILE HA H 45 3.855 4.083 -0.228 2
1 537 . 1 1 A 45 45 ILE C C 45 176.287 177.706 -1.419 2
1 538 . 1 1 A 45 45 ILE CA C 45 61.465 63.720 -2.255 2
1 539 . 1 1 A 45 45 ILE CB C 45 38.294 37.805 0.489 2
1 543 . 1 1 A 45 45 ILE N N 45 118.636 118.990 -0.354 2
1 544 . 1 1 A 46 46 TRP H H 46 7.646 7.949 -0.303 2
1 545 . 1 1 A 46 46 TRP HA H 46 4.504 4.393 0.111 2
1 554 . 1 1 A 46 46 TRP C C 46 176.136 178.887 -2.751 2
1 555 . 1 1 A 46 46 TRP CA C 46 57.139 59.974 -2.836 2
1 556 . 1 1 A 46 46 TRP CB C 46 28.880 29.654 -0.774 2
1 558 . 1 1 A 46 46 TRP N N 46 122.947 122.147 0.800 2
1 560 . 1 1 A 47 47 TRP H H 47 7.502 8.079 -0.577 2
1 561 . 1 1 A 47 47 TRP HA H 47 4.482 4.346 0.136 2
1 570 . 1 1 A 47 47 TRP C C 47 176.149 178.337 -2.188 2
1 571 . 1 1 A 47 47 TRP CA C 47 57.197 60.853 -3.656 2
1 572 . 1 1 A 47 47 TRP CB C 47 29.703 29.571 0.132 2
1 573 . 1 1 A 47 47 TRP N N 47 120.943 121.968 -1.025 2
1 575 . 1 1 A 48 48 SER H H 48 7.861 8.302 -0.441 2
1 576 . 1 1 A 48 48 SER HA H 48 4.258 4.032 0.225 2
1 579 . 1 1 A 48 48 SER C C 48 174.600 176.088 -1.488 2
1 580 . 1 1 A 48 48 SER CA C 48 57.844 60.807 -2.963 2
1 581 . 1 1 A 48 48 SER CB C 48 64.102 62.655 1.447 2
1 582 . 1 1 A 48 48 SER N N 48 116.339 114.878 1.461 2
1 583 . 1 1 A 49 49 VAL H H 49 7.921 7.794 0.127 2
1 584 . 1 1 A 49 49 VAL HA H 49 3.990 3.657 0.333 2
1 592 . 1 1 A 49 49 VAL C C 49 176.402 177.597 -1.195 2
1 593 . 1 1 A 49 49 VAL CA C 49 62.909 65.801 -2.892 2
1 594 . 1 1 A 49 49 VAL CB C 49 32.467 31.685 0.782 2
1 597 . 1 1 A 49 49 VAL N N 49 121.079 121.779 -0.700 2
1 598 . 1 1 A 50 50 GLU H H 50 8.229 8.028 0.201 2
1 599 . 1 1 A 50 50 GLU HA H 50 4.307 4.156 0.151 2
1 604 . 1 1 A 50 50 GLU C C 50 176.506 178.203 -1.697 2
1 605 . 1 1 A 50 50 GLU CA C 50 57.040 58.463 -1.423 2
1 606 . 1 1 A 50 50 GLU CB C 50 30.123 28.910 1.213 2
1 608 . 1 1 A 50 50 GLU N N 50 122.433 119.590 2.843 2
1 609 . 1 1 A 51 51 THR H H 51 7.993 7.584 0.409 2
1 610 . 1 1 A 51 51 THR HA H 51 4.248 3.880 0.368 2
1 615 . 1 1 A 51 51 THR C C 51 174.430 176.312 -1.882 2
1 616 . 1 1 A 51 51 THR CA C 51 62.227 65.130 -2.903 2
1 617 . 1 1 A 51 51 THR CB C 51 69.712 68.748 0.964 2
1 619 . 1 1 A 51 51 THR N N 51 114.413 115.514 -1.101 2
1 620 . 1 1 A 52 52 ALA H H 52 8.160 7.854 0.306 2
1 621 . 1 1 A 52 52 ALA HA H 52 4.212 4.135 0.077 2
1 625 . 1 1 A 52 52 ALA C C 52 177.976 178.804 -0.828 2
1 626 . 1 1 A 52 52 ALA CA C 52 53.069 54.586 -1.517 2
1 627 . 1 1 A 52 52 ALA CB C 52 19.178 18.190 0.988 2
1 628 . 1 1 A 52 52 ALA N N 52 125.641 123.467 2.174 2
1 629 . 1 1 A 53 53 THR H H 53 8.022 7.495 0.527 2
1 630 . 1 1 A 53 53 THR HA H 53 4.231 4.523 -0.292 2
1 635 . 1 1 A 53 53 THR C C 53 174.750 174.548 0.202 2
1 636 . 1 1 A 53 53 THR CA C 53 62.231 62.015 0.216 2
1 637 . 1 1 A 53 53 THR CB C 53 69.726 69.046 0.680 2
1 639 . 1 1 A 53 53 THR N N 53 112.100 108.789 3.311 2
1 640 . 1 1 A 54 54 THR H H 54 7.999 8.088 -0.089 2
1 641 . 1 1 A 54 54 THR HA H 54 4.303 4.053 0.250 2
1 646 . 1 1 A 54 54 THR C C 54 174.592 174.133 0.459 2
1 647 . 1 1 A 54 54 THR CA C 54 62.002 63.167 -1.165 2
1 648 . 1 1 A 54 54 THR CB C 54 69.793 66.904 2.889 2
1 650 . 1 1 A 54 54 THR N N 54 116.238 115.239 0.999 2
1 651 . 1 1 A 55 55 VAL H H 55 8.098 7.832 0.266 2
1 652 . 1 1 A 55 55 VAL HA H 55 4.017 4.080 -0.063 2
1 660 . 1 1 A 55 55 VAL C C 55 176.453 176.122 0.331 2
1 661 . 1 1 A 55 55 VAL CA C 55 62.650 63.594 -0.944 2
1 662 . 1 1 A 55 55 VAL CB C 55 32.524 32.660 -0.136 2
1 665 . 1 1 A 55 55 VAL N N 55 122.445 120.648 1.797 2
1 666 . 1 1 A 56 56 GLY H H 56 8.308 8.042 0.266 2
1 667 . 1 1 A 56 56 GLY HA2 H 56 3.839 3.986 -0.147 2
1 668 . 1 1 A 56 56 GLY HA3 H 56 4.019 4.008 0.011 2
1 669 . 1 1 A 56 56 GLY C C 56 173.958 174.628 -0.670 2
1 670 . 1 1 A 56 56 GLY CA C 56 45.216 46.247 -1.031 2
1 671 . 1 1 A 56 56 GLY N N 56 112.118 109.411 2.707 2
1 672 . 1 1 A 57 57 TYR H H 57 8.051 8.531 -0.480 2
1 673 . 1 1 A 57 57 TYR HA H 57 4.402 4.449 -0.047 2
1 680 . 1 1 A 57 57 TYR C C 57 176.557 176.007 0.550 2
1 681 . 1 1 A 57 57 TYR CA C 57 58.251 59.825 -1.574 2
1 682 . 1 1 A 57 57 TYR CB C 57 38.935 38.751 0.184 2
1 683 . 1 1 A 57 57 TYR N N 57 120.259 120.497 -0.238 2
1 684 . 1 1 A 58 58 GLY H H 58 8.335 7.999 0.336 2
1 685 . 1 1 A 58 58 GLY HA2 H 58 3.801 4.072 -0.271 2
1 686 . 1 1 A 58 58 GLY HA3 H 58 3.801 4.159 -0.358 2
1 687 . 1 1 A 58 58 GLY C C 58 173.911 174.799 -0.888 2
1 688 . 1 1 A 58 58 GLY CA C 58 45.311 45.647 -0.336 2
1 689 . 1 1 A 58 58 GLY N N 58 110.220 107.347 2.873 2
1 690 . 1 1 A 59 59 ASP H H 59 8.161 8.150 0.011 2
1 691 . 1 1 A 59 59 ASP HA H 59 4.581 4.465 0.117 2
1 694 . 1 1 A 59 59 ASP C C 59 175.189 175.602 -0.413 2
1 695 . 1 1 A 59 59 ASP CA C 59 53.570 56.616 -3.046 2
1 696 . 1 1 A 59 59 ASP CB C 59 38.750 41.770 -3.020 2
1 697 . 1 1 A 59 59 ASP N N 59 118.765 121.117 -2.352 2
1 698 . 1 1 A 60 60 ARG H H 60 8.086 7.803 0.283 2
1 699 . 1 1 A 60 60 ARG HA H 60 4.152 4.696 -0.544 2
1 711 . 1 1 A 60 60 ARG C C 60 176.603 174.309 2.294 2
1 712 . 1 1 A 60 60 ARG CA C 60 56.825 54.252 2.573 2
1 713 . 1 1 A 60 60 ARG CB C 60 30.935 34.203 -3.268 2
1 716 . 1 1 A 60 60 ARG N N 60 120.762 117.304 3.458 2
1 718 . 1 1 A 61 61 TYR H H 61 8.117 8.541 -0.424 2
1 719 . 1 1 A 61 61 TYR HA H 61 4.488 5.225 -0.737 2
1 726 . 1 1 A 61 61 TYR CA C 61 56.688 55.669 1.019 2
1 727 . 1 1 A 61 61 TYR CB C 61 39.582 40.934 -1.352 2
1 728 . 1 1 A 61 61 TYR N N 61 121.714 119.172 2.541 2
1 729 . 1 1 A 62 62 PRO HA H 62 4.383 4.561 -0.178 2
1 736 . 1 1 A 62 62 PRO C C 62 177.441 176.048 1.393 2
1 737 . 1 1 A 62 62 PRO CA C 62 63.212 62.206 1.006 2
1 738 . 1 1 A 62 62 PRO CB C 62 31.939 33.054 -1.115 2
1 741 . 1 1 A 63 63 VAL H H 63 8.217 8.446 -0.229 2
1 742 . 1 1 A 63 63 VAL HA H 63 4.164 4.447 -0.283 2
1 750 . 1 1 A 63 63 VAL C C 63 176.576 176.060 0.516 2
1 751 . 1 1 A 63 63 VAL CA C 63 62.382 61.046 1.336 2
1 752 . 1 1 A 63 63 VAL CB C 63 32.862 33.426 -0.564 2
1 755 . 1 1 A 63 63 VAL N N 63 120.316 119.897 0.418 2
1 756 . 1 1 A 64 64 THR H H 64 8.084 8.531 -0.447 2
1 757 . 1 1 A 64 64 THR HA H 64 4.313 4.218 0.095 2
1 762 . 1 1 A 64 64 THR C C 64 174.558 175.755 -1.197 2
1 763 . 1 1 A 64 64 THR CA C 64 62.606 64.772 -2.166 2
1 764 . 1 1 A 64 64 THR CB C 64 70.496 69.612 0.884 2
1 766 . 1 1 A 64 64 THR N N 64 116.779 117.815 -1.036 2
1 767 . 1 1 A 65 65 GLU H H 65 8.404 8.075 0.329 2
1 768 . 1 1 A 65 65 GLU HA H 65 4.314 4.086 0.228 2
1 773 . 1 1 A 65 65 GLU C C 65 175.016 178.359 -3.343 2
1 774 . 1 1 A 65 65 GLU CA C 65 57.750 58.730 -0.980 2
1 775 . 1 1 A 65 65 GLU CB C 65 30.083 29.368 0.715 2
1 777 . 1 1 A 65 65 GLU N N 65 122.323 121.057 1.266 2
1 778 . 1 1 A 66 66 GLU H H 66 8.397 7.921 0.476 2
1 779 . 1 1 A 66 66 GLU HA H 66 4.224 4.356 -0.132 2
1 784 . 1 1 A 66 66 GLU C C 66 176.855 177.253 -0.398 2
1 785 . 1 1 A 66 66 GLU CA C 66 58.023 56.638 1.385 2
1 786 . 1 1 A 66 66 GLU CB C 66 29.857 30.319 -0.462 2
1 788 . 1 1 A 66 66 GLU N N 66 122.201 116.230 5.971 2
1 789 . 1 1 A 67 67 GLY H H 67 8.376 7.937 0.439 2
1 790 . 1 1 A 67 67 GLY HA2 H 67 3.834 3.953 -0.119 2
1 791 . 1 1 A 67 67 GLY HA3 H 67 3.834 3.957 -0.123 2
1 792 . 1 1 A 67 67 GLY C C 67 173.071 175.225 -2.154 2
1 793 . 1 1 A 67 67 GLY CA C 67 45.871 46.360 -0.489 2
1 794 . 1 1 A 67 67 GLY N N 67 109.499 108.449 1.050 2
1 795 . 1 1 A 68 68 ARG H H 68 8.011 8.188 -0.177 2
1 796 . 1 1 A 68 68 ARG HA H 68 4.482 4.133 0.349 2
1 808 . 1 1 A 68 68 ARG C C 68 177.494 178.196 -0.702 2
1 809 . 1 1 A 68 68 ARG CA C 68 57.574 58.791 -1.217 2
1 810 . 1 1 A 68 68 ARG CB C 68 30.325 30.048 0.277 2
1 813 . 1 1 A 68 68 ARG N N 68 122.501 121.697 0.804 2
1 815 . 1 1 A 69 69 LYS H H 69 7.986 8.163 -0.177 2
1 816 . 1 1 A 69 69 LYS HA H 69 4.150 4.125 0.025 2
1 825 . 1 1 A 69 69 LYS C C 69 178.168 179.067 -0.899 2
1 826 . 1 1 A 69 69 LYS CA C 69 57.781 58.449 -0.668 2
1 827 . 1 1 A 69 69 LYS CB C 69 32.705 32.241 0.464 2
1 831 . 1 1 A 69 69 LYS N N 69 120.934 118.354 2.580 2
1 832 . 1 1 A 70 70 VAL H H 70 7.848 8.198 -0.350 2
1 833 . 1 1 A 70 70 VAL HA H 70 4.088 3.634 0.454 2
1 841 . 1 1 A 70 70 VAL C C 70 175.998 177.959 -1.961 2
1 842 . 1 1 A 70 70 VAL CA C 70 64.206 66.379 -2.172 2
1 843 . 1 1 A 70 70 VAL CB C 70 31.873 31.643 0.230 2
1 846 . 1 1 A 70 70 VAL N N 70 120.324 119.924 0.400 2
1 847 . 1 1 A 71 71 ALA H H 71 8.300 8.286 0.014 2
1 848 . 1 1 A 71 71 ALA HA H 71 4.221 4.109 0.112 2
1 852 . 1 1 A 71 71 ALA C C 71 178.225 179.427 -1.202 2
1 853 . 1 1 A 71 71 ALA CA C 71 53.106 55.813 -2.707 2
1 854 . 1 1 A 71 71 ALA CB C 71 19.128 18.436 0.692 2
1 855 . 1 1 A 71 71 ALA N N 71 127.025 122.170 4.855 2
1 856 . 1 1 A 72 72 GLU H H 72 8.181 8.371 -0.190 2
1 857 . 1 1 A 72 72 GLU HA H 72 4.219 4.035 0.184 2
1 862 . 1 1 A 72 72 GLU C C 72 176.779 179.017 -2.238 2
1 863 . 1 1 A 72 72 GLU CA C 72 56.776 59.692 -2.916 2
1 864 . 1 1 A 72 72 GLU CB C 72 28.610 29.150 -0.540 2
1 866 . 1 1 A 72 72 GLU N N 72 123.008 118.260 4.748 2
1 867 . 1 1 A 73 73 GLN H H 73 8.132 7.774 0.358 2
1 868 . 1 1 A 73 73 GLN HA H 73 4.141 4.137 0.004 2
1 875 . 1 1 A 73 73 GLN C C 73 175.803 178.648 -2.845 2
1 876 . 1 1 A 73 73 GLN CA C 73 56.456 58.589 -2.133 2
1 877 . 1 1 A 73 73 GLN CB C 73 28.290 28.318 -0.028 2
1 879 . 1 1 A 73 73 GLN N N 73 120.564 119.824 0.740 2
1 881 . 1 1 A 74 74 VAL H H 74 8.088 7.679 0.409 2
1 882 . 1 1 A 74 74 VAL HA H 74 3.986 3.525 0.461 2
1 890 . 1 1 A 74 74 VAL C C 74 176.167 177.750 -1.583 2
1 891 . 1 1 A 74 74 VAL CA C 74 63.123 66.280 -3.157 2
1 892 . 1 1 A 74 74 VAL CB C 74 30.082 31.505 -1.423 2
1 895 . 1 1 A 74 74 VAL N N 74 121.828 120.043 1.785 2
1 896 . 1 1 A 75 75 MET H H 75 8.167 8.132 0.035 2
1 897 . 1 1 A 75 75 MET HA H 75 4.093 4.050 0.043 2
1 903 . 1 1 A 75 75 MET C C 75 176.455 178.380 -1.925 2
1 904 . 1 1 A 75 75 MET N N 75 123.990 117.781 6.209 2
1 905 . 1 1 A 76 76 LYS H H 76 8.287 7.956 0.331 2
1 906 . 1 1 A 76 76 LYS HA H 76 4.234 4.031 0.203 2
1 915 . 1 1 A 76 76 LYS C C 76 176.220 178.572 -2.352 2
1 916 . 1 1 A 76 76 LYS CA C 76 56.765 58.802 -2.037 2
1 917 . 1 1 A 76 76 LYS CB C 76 33.055 32.257 0.798 2
1 921 . 1 1 A 76 76 LYS N N 76 122.725 120.041 2.684 2
1 922 . 1 1 A 77 77 ALA H H 77 8.308 8.194 0.114 2
1 923 . 1 1 A 77 77 ALA HA H 77 4.213 4.022 0.191 2
1 927 . 1 1 A 77 77 ALA C C 77 178.097 179.888 -1.791 2
1 928 . 1 1 A 77 77 ALA CA C 77 52.740 54.958 -2.218 2
1 929 . 1 1 A 77 77 ALA CB C 77 19.427 18.384 1.043 2
1 930 . 1 1 A 77 77 ALA N N 77 125.316 121.856 3.461 2
1 931 . 1 1 A 78 78 GLY H H 78 8.284 8.067 0.217 2
1 932 . 1 1 A 78 78 GLY HA2 H 78 3.873 3.476 0.397 2
1 933 . 1 1 A 78 78 GLY HA3 H 78 3.873 3.677 0.196 2
1 934 . 1 1 A 78 78 GLY C C 78 174.065 175.470 -1.405 2
1 935 . 1 1 A 78 78 GLY CA C 78 45.497 47.282 -1.785 2
1 936 . 1 1 A 78 78 GLY N N 78 107.778 105.640 2.138 2
1 937 . 1 1 A 79 79 ILE H H 79 7.882 8.121 -0.239 2
1 938 . 1 1 A 79 79 ILE HA H 79 4.119 3.975 0.144 2
1 948 . 1 1 A 79 79 ILE C C 79 176.160 178.446 -2.286 2
1 949 . 1 1 A 79 79 ILE CA C 79 61.436 64.135 -2.699 2
1 950 . 1 1 A 79 79 ILE CB C 79 38.904 37.214 1.690 2
1 954 . 1 1 A 79 79 ILE N N 79 119.794 122.454 -2.660 2
1 955 . 1 1 A 80 80 GLU H H 80 8.354 8.143 0.211 2
1 956 . 1 1 A 80 80 GLU HA H 80 4.282 4.010 0.272 2
1 961 . 1 1 A 80 80 GLU C C 80 176.174 179.326 -3.152 2
1 962 . 1 1 A 80 80 GLU CA C 80 57.178 59.267 -2.090 2
1 963 . 1 1 A 80 80 GLU CB C 80 30.019 29.370 0.649 2
1 965 . 1 1 A 80 80 GLU N N 80 124.311 119.805 4.506 2
1 966 . 1 1 A 81 81 VAL H H 81 8.205 7.600 0.605 2
1 967 . 1 1 A 81 81 VAL HA H 81 3.985 3.548 0.437 2
1 975 . 1 1 A 81 81 VAL C C 81 175.815 177.994 -2.179 2
1 976 . 1 1 A 81 81 VAL CA C 81 62.865 66.096 -3.231 2
1 977 . 1 1 A 81 81 VAL CB C 81 32.629 31.464 1.165 2
1 980 . 1 1 A 81 81 VAL N N 81 121.106 119.949 1.157 2
1 981 . 1 1 A 82 82 PHE H H 82 8.252 7.884 0.368 2
1 982 . 1 1 A 82 82 PHE HA H 82 4.551 4.211 0.340 2
1 990 . 1 1 A 82 82 PHE C C 82 175.631 178.078 -2.447 2
1 991 . 1 1 A 82 82 PHE CA C 82 58.206 61.159 -2.953 2
1 992 . 1 1 A 82 82 PHE CB C 82 39.431 37.975 1.456 2
1 993 . 1 1 A 82 82 PHE N N 82 123.622 118.817 4.805 2
1 994 . 1 1 A 83 83 ALA H H 83 8.184 8.431 -0.247 2
1 995 . 1 1 A 83 83 ALA HA H 83 4.230 4.185 0.045 2
1 999 . 1 1 A 83 83 ALA C C 83 178.025 180.072 -2.047 2
1 1000 . 1 1 A 83 83 ALA CA C 83 52.731 54.960 -2.229 2
1 1001 . 1 1 A 83 83 ALA CB C 83 19.359 18.388 0.971 2
1 1002 . 1 1 A 83 83 ALA N N 83 125.081 122.538 2.543 2
1 1003 . 1 1 A 84 84 LEU H H 84 8.104 8.040 0.064 2
1 1004 . 1 1 A 84 84 LEU HA H 84 4.167 4.093 0.074 2
1 1014 . 1 1 A 84 84 LEU C C 84 176.390 178.796 -2.406 2
1 1015 . 1 1 A 84 84 LEU CA C 84 55.786 57.570 -1.784 2
1 1016 . 1 1 A 84 84 LEU CB C 84 42.179 41.508 0.671 2
1 1020 . 1 1 A 84 84 LEU N N 84 119.064 120.553 -1.489 2
1 1021 . 1 1 A 85 85 VAL H H 85 8.155 7.803 0.351 2
1 1022 . 1 1 A 85 85 VAL HA H 85 4.073 3.902 0.171 2
1 1030 . 1 1 A 85 85 VAL C C 85 176.521 177.981 -1.460 2
1 1031 . 1 1 A 85 85 VAL CA C 85 62.762 65.333 -2.571 2
1 1032 . 1 1 A 85 85 VAL CB C 85 32.498 31.564 0.934 2
1 1035 . 1 1 A 85 85 VAL N N 85 121.743 117.011 4.732 2
1 1036 . 1 1 A 86 86 THR H H 86 8.052 7.849 0.203 2
1 1037 . 1 1 A 86 86 THR HA H 86 4.141 3.976 0.165 2
1 1042 . 1 1 A 86 86 THR C C 86 174.706 176.385 -1.679 2
1 1043 . 1 1 A 86 86 THR CA C 86 62.351 66.053 -3.702 2
1 1044 . 1 1 A 86 86 THR CB C 86 69.618 68.523 1.095 2
1 1046 . 1 1 A 86 86 THR N N 86 117.693 116.031 1.662 2
1 1047 . 1 1 A 87 87 ALA H H 87 8.216 8.264 -0.048 2
1 1048 . 1 1 A 87 87 ALA HA H 87 4.170 4.010 0.160 2
1 1052 . 1 1 A 87 87 ALA C C 87 178.003 179.335 -1.332 2
1 1053 . 1 1 A 87 87 ALA CA C 87 52.967 54.920 -1.953 2
1 1054 . 1 1 A 87 87 ALA CB C 87 18.326 18.150 0.176 2
1 1055 . 1 1 A 87 87 ALA N N 87 126.174 123.291 2.883 2
1 1056 . 1 1 A 88 88 ALA H H 88 8.129 8.046 0.083 2
1 1057 . 1 1 A 88 88 ALA HA H 88 4.147 4.073 0.074 2
1 1061 . 1 1 A 88 88 ALA C C 88 178.246 179.533 -1.287 2
1 1062 . 1 1 A 88 88 ALA CA C 88 52.961 54.374 -1.413 2
1 1063 . 1 1 A 88 88 ALA CB C 88 19.290 19.039 0.251 2
1 1064 . 1 1 A 88 88 ALA N N 88 122.649 120.009 2.640 2
1 1065 . 1 1 A 89 89 LEU H H 89 7.992 7.944 0.048 2
1 1066 . 1 1 A 89 89 LEU HA H 89 4.153 4.005 0.148 2
1 1076 . 1 1 A 89 89 LEU C C 89 176.375 178.846 -2.472 2
1 1077 . 1 1 A 89 89 LEU CA C 89 57.099 57.916 -0.818 2
1 1078 . 1 1 A 89 89 LEU CB C 89 42.055 41.449 0.606 2
1 1082 . 1 1 A 89 89 LEU N N 89 120.616 119.120 1.496 2
1 1083 . 1 1 A 90 90 ALA H H 90 8.168 8.227 -0.059 2
1 1084 . 1 1 A 90 90 ALA HA H 90 4.218 4.276 -0.058 2
1 1088 . 1 1 A 90 90 ALA C C 90 178.487 179.285 -0.797 2
1 1089 . 1 1 A 90 90 ALA CA C 90 53.043 54.520 -1.477 2
1 1090 . 1 1 A 90 90 ALA CB C 90 19.269 18.435 0.834 2
1 1091 . 1 1 A 90 90 ALA N N 90 124.243 121.685 2.558 2
1 1092 . 1 1 A 91 91 THR H H 91 7.988 7.748 0.240 2
1 1093 . 1 1 A 91 91 THR HA H 91 4.181 4.019 0.162 2
1 1098 . 1 1 A 91 91 THR C C 91 174.931 175.706 -0.775 2
1 1099 . 1 1 A 91 91 THR CA C 91 62.190 64.146 -1.956 2
1 1100 . 1 1 A 91 91 THR CB C 91 69.198 68.609 0.589 2
1 1102 . 1 1 A 91 91 THR N N 91 112.659 112.034 0.625 2
1 1103 . 1 1 A 92 92 ASP H H 92 8.254 8.053 0.201 2
1 1104 . 1 1 A 92 92 ASP HA H 92 4.541 4.427 0.114 2
1 1107 . 1 1 A 92 92 ASP C C 92 175.823 178.105 -2.282 2
1 1108 . 1 1 A 92 92 ASP CA C 92 53.570 56.431 -2.861 2
1 1109 . 1 1 A 92 92 ASP CB C 92 38.750 40.836 -2.086 2
1 1110 . 1 1 A 92 92 ASP N N 92 120.688 121.945 -1.257 2
1 1111 . 1 1 A 93 93 PHE H H 93 8.048 8.108 -0.060 2
1 1112 . 1 1 A 93 93 PHE HA H 93 4.547 4.426 0.121 2
1 1120 . 1 1 A 93 93 PHE C C 93 176.384 177.486 -1.102 2
1 1121 . 1 1 A 93 93 PHE CA C 93 58.633 59.438 -0.805 2
1 1122 . 1 1 A 93 93 PHE CB C 93 39.451 37.908 1.543 2
1 1123 . 1 1 A 93 93 PHE N N 93 120.763 117.641 3.122 2
1 1124 . 1 1 A 94 94 VAL H H 94 7.904 7.602 0.302 2
1 1125 . 1 1 A 94 94 VAL HA H 94 4.364 3.152 1.212 2
1 1133 . 1 1 A 94 94 VAL C C 94 176.851 177.952 -1.101 2
1 1134 . 1 1 A 94 94 VAL CA C 94 63.297 65.901 -2.604 2
1 1135 . 1 1 A 94 94 VAL CB C 94 29.241 31.002 -1.761 2
1 1138 . 1 1 A 94 94 VAL N N 94 121.478 120.507 0.971 2
1 1139 . 1 1 A 95 95 ARG H H 95 8.146 7.845 0.301 2
1 1140 . 1 1 A 95 95 ARG HA H 95 4.134 4.054 0.080 2
1 1152 . 1 1 A 95 95 ARG C C 95 177.395 178.800 -1.405 2
1 1153 . 1 1 A 95 95 ARG CA C 95 55.978 59.050 -3.072 2
1 1154 . 1 1 A 95 95 ARG CB C 95 31.070 29.778 1.292 2
1 1157 . 1 1 A 95 95 ARG N N 95 122.920 119.771 3.149 2
1 1159 . 1 1 A 96 96 ARG H H 96 8.313 8.207 0.106 2
1 1160 . 1 1 A 96 96 ARG HA H 96 4.180 4.105 0.075 2
1 1172 . 1 1 A 96 96 ARG C C 96 176.839 177.895 -1.056 2
1 1173 . 1 1 A 96 96 ARG CA C 96 56.831 58.712 -1.881 2
1 1174 . 1 1 A 96 96 ARG CB C 96 30.952 29.804 1.148 2
1 1177 . 1 1 A 96 96 ARG N N 96 121.064 118.493 2.571 2
1 1179 . 1 1 A 97 97 GLU H H 97 8.356 7.854 0.502 2
1 1180 . 1 1 A 97 97 GLU HA H 97 4.220 4.227 -0.007 2
1 1185 . 1 1 A 97 97 GLU C C 97 176.319 178.207 -1.888 2
1 1186 . 1 1 A 97 97 GLU CA C 97 57.408 58.114 -0.706 2
1 1187 . 1 1 A 97 97 GLU CB C 97 28.610 29.697 -1.087 2
1 1189 . 1 1 A 97 97 GLU N N 97 121.754 119.074 2.680 2
1 1190 . 1 1 A 98 98 GLU H H 98 8.328 8.253 0.075 2
1 1191 . 1 1 A 98 98 GLU HA H 98 4.240 4.171 0.069 2
1 1196 . 1 1 A 98 98 GLU C C 98 176.132 178.270 -2.138 2
1 1197 . 1 1 A 98 98 GLU CA C 98 57.666 58.350 -0.684 2
1 1198 . 1 1 A 98 98 GLU CB C 98 30.045 29.416 0.629 2
1 1200 . 1 1 A 98 98 GLU N N 98 121.414 119.716 1.698 2
1 1201 . 1 1 A 99 99 GLU H H 99 8.418 8.263 0.155 2
1 1202 . 1 1 A 99 99 GLU HA H 99 4.299 4.091 0.208 2
1 1207 . 1 1 A 99 99 GLU C C 99 177.021 178.732 -1.711 2
1 1208 . 1 1 A 99 99 GLU CA C 99 57.397 59.121 -1.724 2
1 1209 . 1 1 A 99 99 GLU CB C 99 30.309 29.085 1.224 2
1 1211 . 1 1 A 99 99 GLU N N 99 121.312 120.011 1.301 2
1 1212 . 1 1 A 100 100 ARG H H 100 8.013 8.175 -0.162 2
1 1213 . 1 1 A 100 100 ARG HA H 100 4.180 4.084 0.096 2
1 1225 . 1 1 A 100 100 ARG C C 100 176.313 177.897 -1.583 2
1 1226 . 1 1 A 100 100 ARG CA C 100 57.238 59.013 -1.775 2
1 1227 . 1 1 A 100 100 ARG CB C 100 30.298 30.013 0.285 2
1 1230 . 1 1 A 100 100 ARG N N 100 121.871 120.144 1.728 2
1 1232 . 1 1 A 101 101 ARG H H 101 8.260 7.571 0.689 2
1 1233 . 1 1 A 101 101 ARG HA H 101 4.260 4.392 -0.132 2
1 1245 . 1 1 A 101 101 ARG C C 101 176.753 176.746 0.007 2
1 1246 . 1 1 A 101 101 ARG CA C 101 56.492 55.766 0.726 2
1 1247 . 1 1 A 101 101 ARG CB C 101 30.838 31.043 -0.205 2
1 1250 . 1 1 A 101 101 ARG N N 101 122.019 116.203 5.816 2
1 1252 . 1 1 A 102 102 GLY H H 102 8.380 8.328 0.052 2
1 1253 . 1 1 A 102 102 GLY HA2 H 102 3.849 3.922 -0.073 2
1 1254 . 1 1 A 102 102 GLY HA3 H 102 3.849 3.939 -0.090 2
1 1255 . 1 1 A 102 102 GLY C C 102 173.145 174.071 -0.926 2
1 1256 . 1 1 A 102 102 GLY CA C 102 45.401 45.874 -0.473 2
1 1257 . 1 1 A 102 102 GLY N N 102 110.110 109.092 1.018 2
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