data_16126_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16126
_Entry.PDB_ID 2KDX
_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 4 . 1 1 1 A 2 2 SER HA H 2 4.544 5.231 -0.687 1
1 7 . 1 1 1 A 2 2 SER CA C 2 58.424 57.739 0.685 1
1 8 . 1 1 1 A 2 2 SER CB C 2 64.017 66.534 -2.517 1
1 13 . 1 1 1 A 4 4 HIS HA H 4 4.504 4.237 0.267 1
1 17 . 1 1 1 A 4 4 HIS C C 4 175.043 177.052 -2.009 1
1 18 . 1 1 1 A 4 4 HIS CA C 4 58.574 60.117 -1.543 1
1 19 . 1 1 1 A 4 4 HIS CB C 4 30.859 29.696 1.163 1
1 20 . 1 1 1 A 5 5 GLU H H 5 10.002 9.096 0.906 1
1 21 . 1 1 1 A 5 5 GLU HA H 5 3.831 3.949 -0.118 1
1 26 . 1 1 1 A 5 5 GLU C C 5 173.758 176.946 -3.188 1
1 27 . 1 1 1 A 5 5 GLU CA C 5 61.822 58.540 3.282 1
1 28 . 1 1 1 A 5 5 GLU CB C 5 28.884 28.475 0.409 1
1 30 . 1 1 1 A 5 5 GLU N N 5 120.850 116.415 4.435 1
1 31 . 1 1 1 A 6 6 TYR H H 6 8.163 7.638 0.525 1
1 32 . 1 1 1 A 6 6 TYR HA H 6 4.066 4.644 -0.578 1
1 39 . 1 1 1 A 6 6 TYR C C 6 173.754 176.434 -2.680 1
1 40 . 1 1 1 A 6 6 TYR CA C 6 61.029 57.661 3.368 1
1 41 . 1 1 1 A 6 6 TYR CB C 6 37.391 39.081 -1.690 1
1 44 . 1 1 1 A 6 6 TYR N N 6 117.171 118.960 -1.789 1
1 45 . 1 1 1 A 7 7 SER H H 7 7.929 7.964 -0.035 1
1 46 . 1 1 1 A 7 7 SER HA H 7 4.265 4.080 0.185 1
1 49 . 1 1 1 A 7 7 SER C C 7 174.434 177.318 -2.884 1
1 50 . 1 1 1 A 7 7 SER CA C 7 61.471 61.665 -0.194 1
1 51 . 1 1 1 A 7 7 SER CB C 7 62.686 63.064 -0.378 1
1 52 . 1 1 1 A 7 7 SER N N 7 116.417 116.687 -0.270 1
1 53 . 1 1 1 A 8 8 VAL H H 8 8.088 8.087 0.001 1
1 54 . 1 1 1 A 8 8 VAL HA H 8 3.795 3.736 0.059 1
1 62 . 1 1 1 A 8 8 VAL C C 8 172.652 177.961 -5.309 1
1 63 . 1 1 1 A 8 8 VAL CA C 8 66.036 65.522 0.514 1
1 64 . 1 1 1 A 8 8 VAL CB C 8 31.811 31.332 0.479 1
1 67 . 1 1 1 A 8 8 VAL N N 8 122.514 119.987 2.527 1
1 68 . 1 1 1 A 9 9 VAL H H 9 8.255 8.334 -0.079 1
1 69 . 1 1 1 A 9 9 VAL HA H 9 3.539 3.697 -0.158 1
1 77 . 1 1 1 A 9 9 VAL C C 9 174.142 177.882 -3.740 1
1 78 . 1 1 1 A 9 9 VAL CA C 9 67.201 66.992 0.209 1
1 79 . 1 1 1 A 9 9 VAL CB C 9 30.859 31.609 -0.750 1
1 82 . 1 1 1 A 9 9 VAL N N 9 120.829 122.213 -1.384 1
1 83 . 1 1 1 A 10 10 SER H H 10 8.179 8.199 -0.020 1
1 84 . 1 1 1 A 10 10 SER HA H 10 3.726 3.807 -0.081 1
1 87 . 1 1 1 A 10 10 SER C C 10 173.669 177.127 -3.458 1
1 88 . 1 1 1 A 10 10 SER CA C 10 62.397 61.425 0.972 1
1 89 . 1 1 1 A 10 10 SER CB C 10 62.470 62.848 -0.378 1
1 90 . 1 1 1 A 10 10 SER N N 10 115.937 115.378 0.559 1
1 91 . 1 1 1 A 11 11 SER H H 11 7.860 8.067 -0.207 1
1 92 . 1 1 1 A 11 11 SER HA H 11 4.312 4.087 0.225 1
1 95 . 1 1 1 A 11 11 SER C C 11 174.888 177.368 -2.480 1
1 96 . 1 1 1 A 11 11 SER CA C 11 61.863 61.755 0.108 1
1 97 . 1 1 1 A 11 11 SER CB C 11 62.638 63.167 -0.529 1
1 98 . 1 1 1 A 11 11 SER N N 11 117.940 115.597 2.343 1
1 99 . 1 1 1 A 12 12 LEU H H 12 8.197 8.205 -0.008 1
1 100 . 1 1 1 A 12 12 LEU HA H 12 4.331 3.989 0.342 1
1 110 . 1 1 1 A 12 12 LEU C C 12 172.791 178.933 -6.142 1
1 111 . 1 1 1 A 12 12 LEU CA C 12 58.035 58.248 -0.213 1
1 112 . 1 1 1 A 12 12 LEU CB C 12 42.062 42.270 -0.208 1
1 116 . 1 1 1 A 12 12 LEU N N 12 125.411 121.390 4.021 1
1 117 . 1 1 1 A 13 13 ILE H H 13 8.689 8.145 0.544 1
1 118 . 1 1 1 A 13 13 ILE HA H 13 3.654 3.606 0.048 1
1 128 . 1 1 1 A 13 13 ILE C C 13 173.945 177.775 -3.830 1
1 129 . 1 1 1 A 13 13 ILE CA C 13 65.287 66.069 -0.782 1
1 130 . 1 1 1 A 13 13 ILE CB C 13 36.843 37.736 -0.893 1
1 134 . 1 1 1 A 13 13 ILE N N 13 121.352 119.106 2.246 1
1 135 . 1 1 1 A 14 14 ALA H H 14 7.692 8.052 -0.360 1
1 136 . 1 1 1 A 14 14 ALA HA H 14 4.218 4.022 0.196 1
1 140 . 1 1 1 A 14 14 ALA C C 14 170.805 180.055 -9.250 1
1 141 . 1 1 1 A 14 14 ALA CA C 14 55.484 55.298 0.186 1
1 142 . 1 1 1 A 14 14 ALA CB C 14 17.698 18.200 -0.502 1
1 143 . 1 1 1 A 14 14 ALA N N 14 121.374 122.627 -1.253 1
1 144 . 1 1 1 A 15 15 LEU H H 15 8.040 8.202 -0.162 1
1 145 . 1 1 1 A 15 15 LEU HA H 15 4.253 3.766 0.487 1
1 152 . 1 1 1 A 15 15 LEU C C 15 171.818 178.952 -7.134 1
1 153 . 1 1 1 A 15 15 LEU CA C 15 58.208 58.068 0.140 1
1 154 . 1 1 1 A 15 15 LEU CB C 15 42.286 41.576 0.710 1
1 157 . 1 1 1 A 15 15 LEU N N 15 121.328 118.773 2.555 1
1 158 . 1 1 1 A 16 16 CYS H H 16 8.587 8.525 0.062 1
1 159 . 1 1 1 A 16 16 CYS HA H 16 3.954 4.172 -0.218 1
1 162 . 1 1 1 A 16 16 CYS C C 16 174.494 177.312 -2.818 1
1 163 . 1 1 1 A 16 16 CYS CA C 16 64.933 63.154 1.779 1
1 164 . 1 1 1 A 16 16 CYS CB C 16 26.960 26.953 0.007 1
1 165 . 1 1 1 A 16 16 CYS N N 16 118.908 116.617 2.291 1
1 166 . 1 1 1 A 17 17 GLU H H 17 8.576 8.229 0.347 1
1 167 . 1 1 1 A 17 17 GLU HA H 17 3.806 4.025 -0.219 1
1 172 . 1 1 1 A 17 17 GLU C C 17 172.225 179.078 -6.853 1
1 173 . 1 1 1 A 17 17 GLU CA C 17 60.306 59.745 0.561 1
1 174 . 1 1 1 A 17 17 GLU CB C 17 29.130 29.212 -0.082 1
1 176 . 1 1 1 A 17 17 GLU N N 17 118.419 121.146 -2.727 1
1 177 . 1 1 1 A 18 18 GLU H H 18 8.156 8.199 -0.043 1
1 178 . 1 1 1 A 18 18 GLU HA H 18 4.115 4.055 0.060 1
1 183 . 1 1 1 A 18 18 GLU C C 18 172.241 179.202 -6.961 1
1 184 . 1 1 1 A 18 18 GLU CA C 18 59.507 59.180 0.327 1
1 185 . 1 1 1 A 18 18 GLU CB C 18 29.335 29.211 0.124 1
1 187 . 1 1 1 A 18 18 GLU N N 18 121.603 120.066 1.537 1
1 188 . 1 1 1 A 19 19 HIS H H 19 8.379 7.968 0.411 1
1 189 . 1 1 1 A 19 19 HIS HA H 19 4.174 4.295 -0.121 1
1 194 . 1 1 1 A 19 19 HIS C C 19 172.511 178.180 -5.669 1
1 195 . 1 1 1 A 19 19 HIS CA C 19 60.525 59.832 0.693 1
1 196 . 1 1 1 A 19 19 HIS CB C 19 31.354 29.725 1.629 1
1 198 . 1 1 1 A 19 19 HIS N N 19 119.634 118.800 0.834 1
1 201 . 1 1 1 A 20 20 ALA H H 20 8.568 8.467 0.101 1
1 202 . 1 1 1 A 20 20 ALA HA H 20 4.143 3.973 0.170 1
1 206 . 1 1 1 A 20 20 ALA C C 20 172.155 179.510 -7.355 1
1 207 . 1 1 1 A 20 20 ALA CA C 20 55.716 55.138 0.578 1
1 208 . 1 1 1 A 20 20 ALA CB C 20 17.682 18.164 -0.482 1
1 209 . 1 1 1 A 20 20 ALA N N 20 122.453 122.732 -0.279 1
1 210 . 1 1 1 A 21 21 LYS H H 21 8.055 7.664 0.391 1
1 211 . 1 1 1 A 21 21 LYS HA H 21 4.128 3.726 0.402 1
1 220 . 1 1 1 A 21 21 LYS C C 21 170.753 178.591 -7.838 1
1 221 . 1 1 1 A 21 21 LYS CA C 21 59.469 59.142 0.327 1
1 222 . 1 1 1 A 21 21 LYS CB C 21 32.369 32.030 0.339 1
1 226 . 1 1 1 A 21 21 LYS N N 21 118.604 116.184 2.420 1
1 227 . 1 1 1 A 22 22 LYS H H 22 8.092 7.805 0.287 1
1 228 . 1 1 1 A 22 22 LYS HA H 22 4.100 4.047 0.053 1
1 237 . 1 1 1 A 22 22 LYS C C 22 174.300 178.093 -3.793 1
1 238 . 1 1 1 A 22 22 LYS CA C 22 58.920 59.179 -0.259 1
1 239 . 1 1 1 A 22 22 LYS CB C 22 32.406 32.279 0.127 1
1 243 . 1 1 1 A 22 22 LYS N N 22 119.468 119.445 0.023 1
1 244 . 1 1 1 A 23 23 ASN H H 23 7.461 8.008 -0.547 1
1 245 . 1 1 1 A 23 23 ASN HA H 23 4.710 4.778 -0.068 1
1 248 . 1 1 1 A 23 23 ASN C C 23 178.526 174.754 3.772 1
1 249 . 1 1 1 A 23 23 ASN CA C 23 53.514 53.452 0.062 1
1 250 . 1 1 1 A 23 23 ASN CB C 23 40.124 38.956 1.168 1
1 251 . 1 1 1 A 23 23 ASN N N 23 115.166 117.481 -2.315 1
1 252 . 1 1 1 A 24 24 GLN H H 24 7.879 7.800 0.079 1
1 253 . 1 1 1 A 24 24 GLN HA H 24 3.927 3.778 0.149 1
1 260 . 1 1 1 A 24 24 GLN C C 24 177.284 175.356 1.928 1
1 261 . 1 1 1 A 24 24 GLN CA C 24 57.083 56.751 0.332 1
1 262 . 1 1 1 A 24 24 GLN CB C 24 26.400 26.023 0.377 1
1 264 . 1 1 1 A 24 24 GLN N N 24 116.046 116.425 -0.379 1
1 266 . 1 1 1 A 25 25 ALA H H 25 8.491 8.072 0.419 1
1 267 . 1 1 1 A 25 25 ALA HA H 25 4.600 4.284 0.316 1
1 271 . 1 1 1 A 25 25 ALA C C 25 174.729 177.609 -2.880 1
1 272 . 1 1 1 A 25 25 ALA CA C 25 51.416 54.186 -2.770 1
1 273 . 1 1 1 A 25 25 ALA CB C 25 21.350 19.636 1.714 1
1 274 . 1 1 1 A 25 25 ALA N N 25 120.372 120.359 0.013 1
1 275 . 1 1 1 A 26 26 HIS H H 26 8.476 7.635 0.841 1
1 276 . 1 1 1 A 26 26 HIS HA H 26 4.736 4.178 0.558 1
1 280 . 1 1 1 A 26 26 HIS C C 26 176.751 173.821 2.930 1
1 281 . 1 1 1 A 26 26 HIS CA C 26 56.211 57.076 -0.865 1
1 282 . 1 1 1 A 26 26 HIS CB C 26 31.838 27.016 4.822 1
1 284 . 1 1 1 A 26 26 HIS N N 26 117.648 112.550 5.098 1
1 285 . 1 1 1 A 27 27 LYS H H 27 7.540 7.516 0.024 1
1 286 . 1 1 1 A 27 27 LYS HA H 27 4.766 4.914 -0.148 1
1 295 . 1 1 1 A 27 27 LYS C C 27 176.918 174.799 2.119 1
1 296 . 1 1 1 A 27 27 LYS CA C 27 55.877 54.793 1.084 1
1 297 . 1 1 1 A 27 27 LYS CB C 27 36.796 37.130 -0.334 1
1 301 . 1 1 1 A 27 27 LYS N N 27 116.451 117.504 -1.053 1
1 302 . 1 1 1 A 28 28 ILE H H 28 8.320 8.745 -0.425 1
1 303 . 1 1 1 A 28 28 ILE HA H 28 4.319 4.945 -0.626 1
1 310 . 1 1 1 A 28 28 ILE C C 28 176.921 175.772 1.149 1
1 311 . 1 1 1 A 28 28 ILE CA C 28 60.552 59.621 0.931 1
1 312 . 1 1 1 A 28 28 ILE CB C 28 38.843 40.903 -2.060 1
1 313 . 1 1 1 A 28 28 ILE N N 28 123.140 121.682 1.458 1
1 314 . 1 1 1 A 29 29 GLU H H 29 9.001 9.412 -0.411 1
1 315 . 1 1 1 A 29 29 GLU HA H 29 4.446 4.527 -0.081 1
1 320 . 1 1 1 A 29 29 GLU C C 29 174.406 175.513 -1.107 1
1 321 . 1 1 1 A 29 29 GLU CA C 29 57.363 57.830 -0.467 1
1 322 . 1 1 1 A 29 29 GLU CB C 29 31.761 32.639 -0.878 1
1 324 . 1 1 1 A 29 29 GLU N N 29 125.872 124.767 1.105 1
1 325 . 1 1 1 A 30 30 ARG H H 30 7.654 7.655 -0.001 1
1 326 . 1 1 1 A 30 30 ARG HA H 30 5.282 5.006 0.276 1
1 334 . 1 1 1 A 30 30 ARG C C 30 178.750 174.426 4.324 1
1 335 . 1 1 1 A 30 30 ARG CA C 30 55.558 55.297 0.261 1
1 336 . 1 1 1 A 30 30 ARG CB C 30 34.774 33.920 0.854 1
1 338 . 1 1 1 A 30 30 ARG N N 30 119.436 118.665 0.771 1
1 340 . 1 1 1 A 31 31 VAL H H 31 9.234 8.694 0.540 1
1 341 . 1 1 1 A 31 31 VAL HA H 31 4.397 4.897 -0.500 1
1 349 . 1 1 1 A 31 31 VAL C C 31 178.662 174.367 4.295 1
1 350 . 1 1 1 A 31 31 VAL CA C 31 60.882 59.757 1.125 1
1 351 . 1 1 1 A 31 31 VAL CB C 31 34.494 35.166 -0.672 1
1 354 . 1 1 1 A 31 31 VAL N N 31 127.428 118.931 8.497 1
1 355 . 1 1 1 A 32 32 VAL H H 32 8.626 8.751 -0.125 1
1 356 . 1 1 1 A 32 32 VAL HA H 32 5.039 5.205 -0.166 1
1 364 . 1 1 1 A 32 32 VAL C C 32 175.519 174.470 1.049 1
1 365 . 1 1 1 A 32 32 VAL CA C 32 60.917 60.437 0.480 1
1 366 . 1 1 1 A 32 32 VAL CB C 32 31.892 34.433 -2.541 1
1 368 . 1 1 1 A 32 32 VAL N N 32 126.581 122.360 4.221 1
1 369 . 1 1 1 A 33 33 VAL H H 33 8.802 9.112 -0.310 1
1 370 . 1 1 1 A 33 33 VAL HA H 33 4.917 4.940 -0.023 1
1 378 . 1 1 1 A 33 33 VAL C C 33 178.038 173.711 4.327 1
1 379 . 1 1 1 A 33 33 VAL CA C 33 58.975 59.514 -0.539 1
1 380 . 1 1 1 A 33 33 VAL CB C 33 35.109 35.839 -0.730 1
1 383 . 1 1 1 A 33 33 VAL N N 33 122.994 127.667 -4.673 1
1 384 . 1 1 1 A 34 34 GLY H H 34 9.535 8.960 0.575 1
1 385 . 1 1 1 A 34 34 GLY HA2 H 34 5.187 4.178 1.009 1
1 386 . 1 1 1 A 34 34 GLY HA3 H 34 3.404 4.182 -0.778 1
1 387 . 1 1 1 A 34 34 GLY C C 34 178.060 172.114 5.946 1
1 388 . 1 1 1 A 34 34 GLY CA C 34 44.108 44.631 -0.523 1
1 389 . 1 1 1 A 34 34 GLY N N 34 112.269 113.044 -0.775 1
1 390 . 1 1 1 A 35 35 ILE H H 35 8.761 9.634 -0.873 1
1 391 . 1 1 1 A 35 35 ILE HA H 35 4.340 4.649 -0.309 1
1 401 . 1 1 1 A 35 35 ILE C C 35 174.823 176.302 -1.479 1
1 402 . 1 1 1 A 35 35 ILE CA C 35 60.287 59.773 0.514 1
1 403 . 1 1 1 A 35 35 ILE CB C 35 39.357 39.186 0.171 1
1 407 . 1 1 1 A 35 35 ILE N N 35 123.848 126.665 -2.817 1
1 408 . 1 1 1 A 36 36 GLY H H 36 8.439 8.590 -0.151 1
1 409 . 1 1 1 A 36 36 GLY HA2 H 36 3.321 4.094 -0.773 1
1 410 . 1 1 1 A 36 36 GLY HA3 H 36 4.444 4.098 0.346 1
1 411 . 1 1 1 A 36 36 GLY C C 36 175.743 174.797 0.946 1
1 412 . 1 1 1 A 36 36 GLY CA C 36 46.389 45.643 0.746 1
1 413 . 1 1 1 A 36 36 GLY N N 36 117.219 115.030 2.189 1
1 414 . 1 1 1 A 37 37 GLU H H 37 8.756 8.827 -0.071 1
1 415 . 1 1 1 A 37 37 GLU HA H 37 4.277 4.110 0.167 1
1 420 . 1 1 1 A 37 37 GLU C C 37 174.413 176.409 -1.996 1
1 421 . 1 1 1 A 37 37 GLU CA C 37 58.568 57.940 0.628 1
1 422 . 1 1 1 A 37 37 GLU CB C 37 29.809 28.620 1.189 1
1 424 . 1 1 1 A 37 37 GLU N N 37 124.260 120.507 3.753 1
1 425 . 1 1 1 A 38 38 ARG H H 38 8.483 7.544 0.939 1
1 426 . 1 1 1 A 38 38 ARG HA H 38 4.594 4.497 0.097 1
1 434 . 1 1 1 A 38 38 ARG C C 38 175.250 176.851 -1.601 1
1 435 . 1 1 1 A 38 38 ARG CA C 38 54.916 55.737 -0.821 1
1 436 . 1 1 1 A 38 38 ARG CB C 38 29.706 30.591 -0.885 1
1 439 . 1 1 1 A 38 38 ARG N N 38 117.248 120.216 -2.968 1
1 441 . 1 1 1 A 39 39 SER H H 39 7.630 7.649 -0.019 1
1 442 . 1 1 1 A 39 39 SER HA H 39 4.139 4.258 -0.119 1
1 445 . 1 1 1 A 39 39 SER C C 39 176.694 174.728 1.966 1
1 446 . 1 1 1 A 39 39 SER CA C 39 59.524 60.180 -0.656 1
1 447 . 1 1 1 A 39 39 SER CB C 39 64.248 64.160 0.088 1
1 448 . 1 1 1 A 39 39 SER N N 39 115.086 113.785 1.301 1
1 449 . 1 1 1 A 40 40 ALA H H 40 8.667 7.934 0.733 1
1 450 . 1 1 1 A 40 40 ALA HA H 40 4.267 4.000 0.267 1
1 454 . 1 1 1 A 40 40 ALA C C 40 174.406 176.306 -1.900 1
1 455 . 1 1 1 A 40 40 ALA CA C 40 52.641 53.747 -1.106 1
1 456 . 1 1 1 A 40 40 ALA CB C 40 17.976 18.118 -0.142 1
1 457 . 1 1 1 A 40 40 ALA N N 40 126.133 121.264 4.869 1
1 458 . 1 1 1 A 41 41 MET H H 41 7.793 7.405 0.388 1
1 459 . 1 1 1 A 41 41 MET HA H 41 4.389 4.580 -0.191 1
1 467 . 1 1 1 A 41 41 MET C C 41 176.689 175.341 1.348 1
1 468 . 1 1 1 A 41 41 MET CA C 41 55.965 54.689 1.276 1
1 469 . 1 1 1 A 41 41 MET CB C 41 34.761 33.017 1.744 1
1 472 . 1 1 1 A 41 41 MET N N 41 117.758 117.159 0.599 1
1 473 . 1 1 1 A 42 42 ASP H H 42 9.667 8.942 0.725 1
1 474 . 1 1 1 A 42 42 ASP HA H 42 4.706 4.637 0.069 1
1 477 . 1 1 1 A 42 42 ASP C C 42 174.559 177.769 -3.210 1
1 478 . 1 1 1 A 42 42 ASP CA C 42 53.363 54.415 -1.052 1
1 479 . 1 1 1 A 42 42 ASP CB C 42 41.740 40.550 1.190 1
1 480 . 1 1 1 A 42 42 ASP N N 42 125.565 123.198 2.367 1
1 481 . 1 1 1 A 43 43 LYS H H 43 8.928 8.604 0.324 1
1 482 . 1 1 1 A 43 43 LYS HA H 43 3.752 4.143 -0.391 1
1 491 . 1 1 1 A 43 43 LYS C C 43 173.737 178.500 -4.763 1
1 492 . 1 1 1 A 43 43 LYS CA C 43 60.966 59.290 1.676 1
1 493 . 1 1 1 A 43 43 LYS CB C 43 32.585 32.018 0.567 1
1 497 . 1 1 1 A 43 43 LYS N N 43 127.256 125.452 1.804 1
1 498 . 1 1 1 A 44 44 SER H H 44 8.327 7.831 0.496 1
1 499 . 1 1 1 A 44 44 SER HA H 44 4.009 4.274 -0.265 1
1 502 . 1 1 1 A 44 44 SER C C 44 174.032 177.522 -3.490 1
1 503 . 1 1 1 A 44 44 SER CA C 44 62.461 61.401 1.060 1
1 504 . 1 1 1 A 44 44 SER CB C 44 62.281 62.912 -0.631 1
1 505 . 1 1 1 A 44 44 SER N N 44 114.797 115.095 -0.298 1
1 506 . 1 1 1 A 45 45 LEU H H 45 7.878 8.094 -0.216 1
1 507 . 1 1 1 A 45 45 LEU HA H 45 4.254 4.103 0.151 1
1 517 . 1 1 1 A 45 45 LEU C C 45 172.915 178.805 -5.890 1
1 518 . 1 1 1 A 45 45 LEU CA C 45 57.128 58.350 -1.222 1
1 519 . 1 1 1 A 45 45 LEU CB C 45 41.738 42.006 -0.268 1
1 523 . 1 1 1 A 45 45 LEU N N 45 124.570 122.287 2.283 1
1 524 . 1 1 1 A 46 46 PHE H H 46 8.343 8.360 -0.017 1
1 525 . 1 1 1 A 46 46 PHE HA H 46 3.882 4.221 -0.339 1
1 532 . 1 1 1 A 46 46 PHE C C 46 175.104 177.177 -2.073 1
1 533 . 1 1 1 A 46 46 PHE CA C 46 61.820 61.586 0.234 1
1 534 . 1 1 1 A 46 46 PHE CB C 46 40.047 39.193 0.854 1
1 537 . 1 1 1 A 46 46 PHE N N 46 121.059 119.419 1.640 1
1 538 . 1 1 1 A 47 47 VAL H H 47 8.370 8.144 0.226 1
1 539 . 1 1 1 A 47 47 VAL HA H 47 3.466 3.340 0.126 1
1 547 . 1 1 1 A 47 47 VAL C C 47 173.353 177.691 -4.338 1
1 548 . 1 1 1 A 47 47 VAL CA C 47 67.220 64.459 2.761 1
1 549 . 1 1 1 A 47 47 VAL CB C 47 31.927 31.132 0.795 1
1 552 . 1 1 1 A 47 47 VAL N N 47 118.023 119.184 -1.161 1
1 553 . 1 1 1 A 48 48 SER H H 48 7.967 8.181 -0.214 1
1 554 . 1 1 1 A 48 48 SER HA H 48 4.268 4.072 0.196 1
1 557 . 1 1 1 A 48 48 SER C C 48 174.187 177.131 -2.944 1
1 558 . 1 1 1 A 48 48 SER CA C 48 61.789 61.537 0.252 1
1 559 . 1 1 1 A 48 48 SER CB C 48 62.761 63.072 -0.311 1
1 560 . 1 1 1 A 48 48 SER N N 48 114.372 116.856 -2.484 1
1 561 . 1 1 1 A 49 49 ALA H H 49 8.489 7.632 0.857 1
1 562 . 1 1 1 A 49 49 ALA HA H 49 3.931 4.195 -0.264 1
1 566 . 1 1 1 A 49 49 ALA C C 49 172.626 179.479 -6.853 1
1 567 . 1 1 1 A 49 49 ALA CA C 49 55.067 55.052 0.015 1
1 568 . 1 1 1 A 49 49 ALA CB C 49 17.587 18.610 -1.023 1
1 569 . 1 1 1 A 49 49 ALA N N 49 124.199 123.333 0.866 1
1 570 . 1 1 1 A 50 50 PHE H H 50 8.510 8.372 0.138 1
1 571 . 1 1 1 A 50 50 PHE HA H 50 3.763 4.019 -0.256 1
1 578 . 1 1 1 A 50 50 PHE C C 50 174.923 177.705 -2.782 1
1 579 . 1 1 1 A 50 50 PHE CA C 50 63.098 61.368 1.730 1
1 580 . 1 1 1 A 50 50 PHE CB C 50 39.465 38.922 0.543 1
1 583 . 1 1 1 A 50 50 PHE N N 50 120.967 119.612 1.355 1
1 584 . 1 1 1 A 51 51 GLU H H 51 8.561 8.773 -0.212 1
1 585 . 1 1 1 A 51 51 GLU HA H 51 3.717 3.958 -0.241 1
1 590 . 1 1 1 A 51 51 GLU C C 51 173.002 179.251 -6.249 1
1 591 . 1 1 1 A 51 51 GLU CA C 51 59.750 59.219 0.531 1
1 592 . 1 1 1 A 51 51 GLU CB C 51 29.330 29.372 -0.042 1
1 594 . 1 1 1 A 51 51 GLU N N 51 116.915 118.051 -1.136 1
1 595 . 1 1 1 A 52 52 THR H H 52 7.759 7.783 -0.024 1
1 596 . 1 1 1 A 52 52 THR HA H 52 4.090 3.848 0.242 1
1 601 . 1 1 1 A 52 52 THR C C 52 174.897 176.042 -1.145 1
1 602 . 1 1 1 A 52 52 THR CA C 52 65.899 66.615 -0.716 1
1 603 . 1 1 1 A 52 52 THR CB C 52 69.172 68.523 0.649 1
1 605 . 1 1 1 A 52 52 THR N N 52 114.348 117.363 -3.015 1
1 606 . 1 1 1 A 53 53 PHE H H 53 8.725 8.045 0.680 1
1 607 . 1 1 1 A 53 53 PHE HA H 53 4.335 4.368 -0.033 1
1 614 . 1 1 1 A 53 53 PHE C C 53 172.389 177.538 -5.149 1
1 615 . 1 1 1 A 53 53 PHE CA C 53 60.011 61.785 -1.774 1
1 616 . 1 1 1 A 53 53 PHE CB C 53 38.244 37.593 0.651 1
1 619 . 1 1 1 A 53 53 PHE N N 53 120.493 118.267 2.226 1
1 620 . 1 1 1 A 54 54 ARG H H 54 8.579 7.812 0.767 1
1 621 . 1 1 1 A 54 54 ARG HA H 54 3.626 3.799 -0.173 1
1 625 . 1 1 1 A 54 54 ARG C C 54 175.195 179.072 -3.877 1
1 626 . 1 1 1 A 54 54 ARG CA C 54 59.252 59.306 -0.054 1
1 627 . 1 1 1 A 54 54 ARG CB C 54 26.544 29.777 -3.233 1
1 629 . 1 1 1 A 54 54 ARG N N 54 119.132 121.933 -2.801 1
1 631 . 1 1 1 A 55 55 GLU H H 55 6.758 8.561 -1.803 1
1 632 . 1 1 1 A 55 55 GLU HA H 55 3.983 4.204 -0.221 1
1 637 . 1 1 1 A 55 55 GLU C C 55 174.356 179.226 -4.870 1
1 638 . 1 1 1 A 55 55 GLU CA C 55 58.002 58.631 -0.629 1
1 639 . 1 1 1 A 55 55 GLU CB C 55 29.865 29.368 0.497 1
1 641 . 1 1 1 A 55 55 GLU N N 55 115.466 118.115 -2.649 1
1 642 . 1 1 1 A 56 56 GLU H H 56 7.245 7.751 -0.506 1
1 643 . 1 1 1 A 56 56 GLU HA H 56 4.294 4.102 0.192 1
1 648 . 1 1 1 A 56 56 GLU C C 56 175.946 175.853 0.093 1
1 649 . 1 1 1 A 56 56 GLU CA C 56 55.827 58.820 -2.993 1
1 650 . 1 1 1 A 56 56 GLU CB C 56 30.030 29.821 0.209 1
1 652 . 1 1 1 A 56 56 GLU N N 56 114.653 120.223 -5.570 1
1 653 . 1 1 1 A 57 57 SER H H 57 7.405 7.468 -0.063 1
1 654 . 1 1 1 A 57 57 SER HA H 57 4.707 4.881 -0.174 1
1 657 . 1 1 1 A 57 57 SER C C 57 176.895 174.359 2.536 1
1 658 . 1 1 1 A 57 57 SER CA C 57 55.456 57.546 -2.090 1
1 659 . 1 1 1 A 57 57 SER CB C 57 64.059 65.613 -1.554 1
1 660 . 1 1 1 A 57 57 SER N N 57 114.312 112.126 2.186 1
1 661 . 1 1 1 A 58 58 LEU H H 58 8.819 8.806 0.013 1
1 662 . 1 1 1 A 58 58 LEU HA H 58 4.120 4.036 0.084 1
1 672 . 1 1 1 A 58 58 LEU C C 58 172.006 178.475 -6.469 1
1 673 . 1 1 1 A 58 58 LEU CA C 58 58.438 58.029 0.409 1
1 674 . 1 1 1 A 58 58 LEU CB C 58 41.839 41.637 0.202 1
1 678 . 1 1 1 A 58 58 LEU N N 58 129.477 126.961 2.516 1
1 679 . 1 1 1 A 59 59 VAL H H 59 7.929 7.865 0.064 1
1 680 . 1 1 1 A 59 59 VAL HA H 59 4.305 4.182 0.123 1
1 688 . 1 1 1 A 59 59 VAL C C 59 173.624 178.004 -4.380 1
1 689 . 1 1 1 A 59 59 VAL CA C 59 64.028 64.195 -0.167 1
1 690 . 1 1 1 A 59 59 VAL CB C 59 33.135 31.245 1.890 1
1 693 . 1 1 1 A 59 59 VAL N N 59 112.367 113.200 -0.833 1
1 694 . 1 1 1 A 60 60 CYS H H 60 7.786 7.763 0.023 1
1 695 . 1 1 1 A 60 60 CYS HA H 60 4.589 4.356 0.233 1
1 698 . 1 1 1 A 60 60 CYS C C 60 176.508 177.157 -0.649 1
1 699 . 1 1 1 A 60 60 CYS CA C 60 59.907 62.453 -2.546 1
1 700 . 1 1 1 A 60 60 CYS CB C 60 28.211 26.944 1.267 1
1 701 . 1 1 1 A 60 60 CYS N N 60 115.412 119.930 -4.518 1
1 702 . 1 1 1 A 61 61 LYS H H 61 7.415 8.035 -0.620 1
1 703 . 1 1 1 A 61 61 LYS HA H 61 3.820 4.076 -0.256 1
1 712 . 1 1 1 A 61 61 LYS C C 61 175.812 177.353 -1.541 1
1 713 . 1 1 1 A 61 61 LYS CA C 61 60.389 58.616 1.773 1
1 714 . 1 1 1 A 61 61 LYS CB C 61 32.606 31.987 0.619 1
1 718 . 1 1 1 A 61 61 LYS N N 61 120.942 119.576 1.366 1
1 719 . 1 1 1 A 62 62 ASP C C 62 175.254 175.098 0.156 1
1 720 . 1 1 1 A 62 62 ASP CA C 62 55.159 53.125 2.034 1
1 721 . 1 1 1 A 62 62 ASP CB C 62 42.358 39.850 2.508 1
1 722 . 1 1 1 A 64 64 ILE H H 64 7.784 8.631 -0.847 1
1 723 . 1 1 1 A 64 64 ILE HA H 64 4.126 4.913 -0.787 1
1 733 . 1 1 1 A 64 64 ILE C C 64 177.456 174.106 3.350 1
1 734 . 1 1 1 A 64 64 ILE CA C 64 60.516 59.811 0.705 1
1 735 . 1 1 1 A 64 64 ILE CB C 64 39.990 42.314 -2.324 1
1 739 . 1 1 1 A 64 64 ILE N N 64 122.653 119.233 3.420 1
1 740 . 1 1 1 A 65 65 LEU H H 65 8.357 9.026 -0.669 1
1 741 . 1 1 1 A 65 65 LEU HA H 65 4.858 5.111 -0.253 1
1 751 . 1 1 1 A 65 65 LEU C C 65 176.625 174.441 2.184 1
1 752 . 1 1 1 A 65 65 LEU CA C 65 53.315 53.435 -0.120 1
1 753 . 1 1 1 A 65 65 LEU CB C 65 43.307 44.175 -0.868 1
1 757 . 1 1 1 A 65 65 LEU N N 65 128.311 128.140 0.171 1
1 758 . 1 1 1 A 66 66 ASP H H 66 9.088 9.097 -0.009 1
1 759 . 1 1 1 A 66 66 ASP HA H 66 5.009 5.201 -0.192 1
1 762 . 1 1 1 A 66 66 ASP C C 66 177.504 174.900 2.604 1
1 763 . 1 1 1 A 66 66 ASP CA C 66 53.137 53.009 0.128 1
1 764 . 1 1 1 A 66 66 ASP CB C 66 44.234 42.160 2.074 1
1 765 . 1 1 1 A 66 66 ASP N N 66 129.457 127.961 1.496 1
1 766 . 1 1 1 A 67 67 ILE H H 67 8.240 8.907 -0.667 1
1 767 . 1 1 1 A 67 67 ILE HA H 67 4.759 4.559 0.200 1
1 777 . 1 1 1 A 67 67 ILE C C 67 175.569 175.783 -0.214 1
1 778 . 1 1 1 A 67 67 ILE CA C 67 59.640 60.044 -0.404 1
1 779 . 1 1 1 A 67 67 ILE CB C 67 39.948 38.026 1.922 1
1 783 . 1 1 1 A 67 67 ILE N N 67 120.821 127.592 -6.771 1
1 784 . 1 1 1 A 68 68 VAL H H 68 9.310 8.880 0.430 1
1 785 . 1 1 1 A 68 68 VAL HA H 68 4.149 4.020 0.129 1
1 793 . 1 1 1 A 68 68 VAL C C 68 176.697 175.257 1.440 1
1 794 . 1 1 1 A 68 68 VAL CA C 68 60.707 62.891 -2.184 1
1 795 . 1 1 1 A 68 68 VAL CB C 68 34.121 31.999 2.122 1
1 798 . 1 1 1 A 68 68 VAL N N 68 130.182 128.444 1.738 1
1 799 . 1 1 1 A 69 69 ASP H H 69 8.577 8.753 -0.176 1
1 800 . 1 1 1 A 69 69 ASP HA H 69 4.847 4.748 0.099 1
1 803 . 1 1 1 A 69 69 ASP C C 69 175.713 175.110 0.603 1
1 804 . 1 1 1 A 69 69 ASP CA C 69 54.357 53.575 0.782 1
1 805 . 1 1 1 A 69 69 ASP CB C 69 41.353 41.330 0.023 1
1 806 . 1 1 1 A 69 69 ASP N N 69 127.151 128.638 -1.487 1
1 807 . 1 1 1 A 70 70 GLU H H 70 7.857 8.954 -1.097 1
1 808 . 1 1 1 A 70 70 GLU HA H 70 4.563 4.665 -0.102 1
1 813 . 1 1 1 A 70 70 GLU C C 70 176.179 176.449 -0.270 1
1 814 . 1 1 1 A 70 70 GLU CA C 70 56.333 54.813 1.520 1
1 815 . 1 1 1 A 70 70 GLU CB C 70 31.503 31.615 -0.112 1
1 817 . 1 1 1 A 70 70 GLU N N 70 123.503 127.019 -3.516 1
1 818 . 1 1 1 A 71 71 LYS H H 71 8.517 8.482 0.035 1
1 819 . 1 1 1 A 71 71 LYS HA H 71 4.261 4.685 -0.424 1
1 828 . 1 1 1 A 71 71 LYS C C 71 175.084 175.923 -0.839 1
1 829 . 1 1 1 A 71 71 LYS CA C 71 55.210 56.041 -0.831 1
1 830 . 1 1 1 A 71 71 LYS CB C 71 33.019 33.613 -0.594 1
1 834 . 1 1 1 A 71 71 LYS N N 71 124.197 122.027 2.170 1
1 835 . 1 1 1 A 72 72 VAL H H 72 8.612 8.200 0.412 1
1 836 . 1 1 1 A 72 72 VAL HA H 72 4.277 5.106 -0.829 1
1 844 . 1 1 1 A 72 72 VAL C C 72 176.529 174.972 1.557 1
1 845 . 1 1 1 A 72 72 VAL CA C 72 63.133 60.782 2.351 1
1 846 . 1 1 1 A 72 72 VAL CB C 72 32.188 34.086 -1.898 1
1 849 . 1 1 1 A 72 72 VAL N N 72 119.616 120.022 -0.406 1
1 850 . 1 1 1 A 73 73 GLU H H 73 7.750 9.027 -1.277 1
1 851 . 1 1 1 A 73 73 GLU HA H 73 4.469 4.778 -0.309 1
1 856 . 1 1 1 A 73 73 GLU C C 73 178.456 174.290 4.166 1
1 857 . 1 1 1 A 73 73 GLU CA C 73 55.241 54.941 0.300 1
1 858 . 1 1 1 A 73 73 GLU CB C 73 34.536 33.676 0.860 1
1 860 . 1 1 1 A 73 73 GLU N N 73 126.126 127.341 -1.215 1
1 861 . 1 1 1 A 74 74 LEU H H 74 8.495 9.162 -0.667 1
1 862 . 1 1 1 A 74 74 LEU HA H 74 5.207 4.935 0.272 1
1 869 . 1 1 1 A 74 74 LEU C C 74 176.827 174.874 1.953 1
1 870 . 1 1 1 A 74 74 LEU CA C 74 52.600 53.270 -0.670 1
1 871 . 1 1 1 A 74 74 LEU CB C 74 45.404 42.614 2.790 1
1 874 . 1 1 1 A 74 74 LEU N N 74 123.821 127.308 -3.487 1
1 875 . 1 1 1 A 75 75 GLU H H 75 8.770 8.967 -0.197 1
1 876 . 1 1 1 A 75 75 GLU HA H 75 5.127 4.716 0.411 1
1 881 . 1 1 1 A 75 75 GLU C C 75 176.617 175.535 1.082 1
1 882 . 1 1 1 A 75 75 GLU CA C 75 53.748 55.404 -1.656 1
1 883 . 1 1 1 A 75 75 GLU CB C 75 33.910 31.344 2.566 1
1 885 . 1 1 1 A 75 75 GLU N N 75 118.723 124.802 -6.079 1
1 886 . 1 1 1 A 76 76 CYS H H 76 9.354 8.260 1.094 1
1 887 . 1 1 1 A 76 76 CYS HA H 76 4.665 4.763 -0.098 1
1 890 . 1 1 1 A 76 76 CYS C C 76 173.085 175.862 -2.777 1
1 891 . 1 1 1 A 76 76 CYS CA C 76 59.386 57.550 1.836 1
1 892 . 1 1 1 A 76 76 CYS CB C 76 32.476 29.801 2.675 1
1 893 . 1 1 1 A 76 76 CYS N N 76 128.378 124.527 3.851 1
1 894 . 1 1 1 A 77 77 LYS H H 77 9.328 8.827 0.501 1
1 895 . 1 1 1 A 77 77 LYS HA H 77 4.279 3.940 0.339 1
1 904 . 1 1 1 A 77 77 LYS C C 77 174.709 177.714 -3.005 1
1 905 . 1 1 1 A 77 77 LYS CA C 77 56.997 59.984 -2.987 1
1 906 . 1 1 1 A 77 77 LYS CB C 77 31.240 32.474 -1.234 1
1 910 . 1 1 1 A 77 77 LYS N N 77 129.264 128.190 1.074 1
1 911 . 1 1 1 A 78 78 ASP H H 78 9.182 8.078 1.104 1
1 912 . 1 1 1 A 78 78 ASP HA H 78 4.945 4.771 0.174 1
1 915 . 1 1 1 A 78 78 ASP C C 78 173.961 175.705 -1.744 1
1 916 . 1 1 1 A 78 78 ASP CA C 78 56.797 53.060 3.737 1
1 917 . 1 1 1 A 78 78 ASP CB C 78 42.214 40.260 1.954 1
1 918 . 1 1 1 A 78 78 ASP N N 78 122.206 114.699 7.507 1
1 919 . 1 1 1 A 79 79 CYS H H 79 9.871 7.692 2.179 1
1 920 . 1 1 1 A 79 79 CYS HA H 79 5.165 4.694 0.471 1
1 923 . 1 1 1 A 79 79 CYS C C 79 174.253 173.350 0.903 1
1 924 . 1 1 1 A 79 79 CYS CA C 79 59.123 57.199 1.924 1
1 925 . 1 1 1 A 79 79 CYS CB C 79 32.286 29.482 2.804 1
1 926 . 1 1 1 A 79 79 CYS N N 79 124.020 118.360 5.660 1
1 927 . 1 1 1 A 80 80 SER H H 80 7.667 8.582 -0.915 1
1 928 . 1 1 1 A 80 80 SER HA H 80 4.564 4.771 -0.207 1
1 931 . 1 1 1 A 80 80 SER C C 80 178.621 172.878 5.743 1
1 932 . 1 1 1 A 80 80 SER CA C 80 62.038 57.344 4.694 1
1 933 . 1 1 1 A 80 80 SER CB C 80 62.215 63.807 -1.592 1
1 934 . 1 1 1 A 80 80 SER N N 80 115.904 117.906 -2.002 1
1 935 . 1 1 1 A 81 81 HIS H H 81 8.916 7.601 1.315 1
1 936 . 1 1 1 A 81 81 HIS HA H 81 4.649 5.035 -0.386 1
1 941 . 1 1 1 A 81 81 HIS C C 81 178.299 172.806 5.493 1
1 942 . 1 1 1 A 81 81 HIS CA C 81 58.348 55.821 2.527 1
1 943 . 1 1 1 A 81 81 HIS CB C 81 33.016 33.483 -0.467 1
1 946 . 1 1 1 A 81 81 HIS N N 81 125.397 122.195 3.202 1
1 949 . 1 1 1 A 82 82 VAL H H 82 7.058 7.679 -0.621 1
1 950 . 1 1 1 A 82 82 VAL HA H 82 5.212 4.647 0.565 1
1 958 . 1 1 1 A 82 82 VAL C C 82 176.161 174.148 2.013 1
1 959 . 1 1 1 A 82 82 VAL CA C 82 60.567 60.697 -0.130 1
1 960 . 1 1 1 A 82 82 VAL CB C 82 34.355 35.518 -1.163 1
1 963 . 1 1 1 A 82 82 VAL N N 82 125.314 122.670 2.644 1
1 964 . 1 1 1 A 83 83 PHE H H 83 8.883 8.437 0.446 1
1 965 . 1 1 1 A 83 83 PHE HA H 83 4.842 5.169 -0.327 1
1 972 . 1 1 1 A 83 83 PHE C C 83 179.687 172.910 6.777 1
1 973 . 1 1 1 A 83 83 PHE CA C 83 55.495 55.460 0.035 1
1 974 . 1 1 1 A 83 83 PHE CB C 83 40.651 41.441 -0.790 1
1 978 . 1 1 1 A 83 83 PHE N N 83 122.377 122.741 -0.364 1
1 979 . 1 1 1 A 84 84 LYS H H 84 8.658 8.707 -0.049 1
1 980 . 1 1 1 A 84 84 LYS HA H 84 5.001 4.896 0.105 1
1 989 . 1 1 1 A 84 84 LYS C C 84 176.705 174.867 1.838 1
1 990 . 1 1 1 A 84 84 LYS CA C 84 52.738 54.052 -1.314 1
1 991 . 1 1 1 A 84 84 LYS CB C 84 32.660 33.600 -0.940 1
1 995 . 1 1 1 A 84 84 LYS N N 84 121.116 118.185 2.931 1
1 996 . 1 1 1 A 85 85 PRO HA H 85 4.663 4.893 -0.230 1
1 1003 . 1 1 1 A 85 85 PRO C C 85 174.722 176.221 -1.499 1
1 1004 . 1 1 1 A 85 85 PRO CA C 85 62.633 62.789 -0.156 1
1 1005 . 1 1 1 A 85 85 PRO CB C 85 32.712 31.934 0.778 1
1 1008 . 1 1 1 A 86 86 ASN H H 86 8.983 8.979 0.004 1
1 1009 . 1 1 1 A 86 86 ASN HA H 86 4.704 4.905 -0.201 1
1 1014 . 1 1 1 A 86 86 ASN C C 86 176.576 174.851 1.725 1
1 1015 . 1 1 1 A 86 86 ASN CA C 86 53.552 54.811 -1.259 1
1 1016 . 1 1 1 A 86 86 ASN CB C 86 39.208 40.577 -1.369 1
1 1017 . 1 1 1 A 86 86 ASN N N 86 119.549 120.301 -0.752 1
1 1019 . 1 1 1 A 87 87 ALA H H 87 8.122 7.778 0.344 1
1 1020 . 1 1 1 A 87 87 ALA HA H 87 4.369 4.035 0.334 1
1 1024 . 1 1 1 A 87 87 ALA C C 87 174.154 177.195 -3.041 1
1 1025 . 1 1 1 A 87 87 ALA CA C 87 52.560 52.284 0.276 1
1 1026 . 1 1 1 A 87 87 ALA CB C 87 19.660 19.640 0.020 1
1 1027 . 1 1 1 A 87 87 ALA N N 87 122.483 121.022 1.461 1
1 1028 . 1 1 1 A 88 88 LEU H H 88 8.195 8.160 0.035 1
1 1029 . 1 1 1 A 88 88 LEU HA H 88 4.192 4.387 -0.195 1
1 1039 . 1 1 1 A 88 88 LEU C C 88 174.871 177.504 -2.633 1
1 1040 . 1 1 1 A 88 88 LEU CA C 88 55.691 55.450 0.241 1
1 1041 . 1 1 1 A 88 88 LEU CB C 88 41.708 42.969 -1.261 1
1 1045 . 1 1 1 A 88 88 LEU N N 88 118.730 117.273 1.457 1
1 1046 . 1 1 1 A 89 89 ASP H H 89 7.902 8.128 -0.226 1
1 1047 . 1 1 1 A 89 89 ASP HA H 89 4.601 4.314 0.287 1
1 1050 . 1 1 1 A 89 89 ASP C C 89 175.940 177.313 -1.373 1
1 1051 . 1 1 1 A 89 89 ASP CA C 89 53.641 57.119 -3.478 1
1 1052 . 1 1 1 A 89 89 ASP CB C 89 40.953 41.265 -0.312 1
1 1053 . 1 1 1 A 89 89 ASP N N 89 118.577 120.430 -1.853 1
1 1054 . 1 1 1 A 90 90 TYR H H 90 7.922 7.342 0.580 1
1 1055 . 1 1 1 A 90 90 TYR HA H 90 4.551 4.613 -0.062 1
1 1062 . 1 1 1 A 90 90 TYR C C 90 175.338 176.642 -1.304 1
1 1063 . 1 1 1 A 90 90 TYR CA C 90 57.505 57.639 -0.134 1
1 1064 . 1 1 1 A 90 90 TYR CB C 90 38.147 39.102 -0.955 1
1 1067 . 1 1 1 A 90 90 TYR N N 90 121.632 114.990 6.642 1
1 1068 . 1 1 1 A 91 91 GLY H H 91 8.313 7.925 0.388 1
1 1069 . 1 1 1 A 91 91 GLY HA2 H 91 3.966 3.824 0.142 1
1 1070 . 1 1 1 A 91 91 GLY HA3 H 91 3.784 3.875 -0.091 1
1 1071 . 1 1 1 A 91 91 GLY C C 91 178.622 174.248 4.374 1
1 1072 . 1 1 1 A 91 91 GLY CA C 91 45.916 45.199 0.717 1
1 1073 . 1 1 1 A 91 91 GLY N N 91 108.097 109.354 -1.257 1
1 1074 . 1 1 1 A 92 92 VAL H H 92 7.078 7.548 -0.470 1
1 1075 . 1 1 1 A 92 92 VAL HA H 92 4.810 4.328 0.482 1
1 1083 . 1 1 1 A 92 92 VAL C C 92 176.954 175.715 1.239 1
1 1084 . 1 1 1 A 92 92 VAL CA C 92 59.083 61.724 -2.641 1
1 1085 . 1 1 1 A 92 92 VAL CB C 92 35.602 33.115 2.487 1
1 1088 . 1 1 1 A 92 92 VAL N N 92 113.901 117.323 -3.422 1
1 1089 . 1 1 1 A 93 93 CYS H H 93 9.086 8.567 0.519 1
1 1090 . 1 1 1 A 93 93 CYS HA H 93 4.118 4.690 -0.572 1
1 1093 . 1 1 1 A 93 93 CYS C C 93 173.477 175.901 -2.424 1
1 1094 . 1 1 1 A 93 93 CYS CA C 93 60.511 59.825 0.686 1
1 1095 . 1 1 1 A 93 93 CYS CB C 93 31.124 28.762 2.362 1
1 1096 . 1 1 1 A 93 93 CYS N N 93 126.248 122.491 3.757 1
1 1097 . 1 1 1 A 94 94 GLU H H 94 5.667 9.056 -3.389 1
1 1098 . 1 1 1 A 94 94 GLU HA H 94 4.073 3.929 0.144 1
1 1103 . 1 1 1 A 94 94 GLU C C 94 176.973 178.328 -1.355 1
1 1104 . 1 1 1 A 94 94 GLU CA C 94 57.434 59.678 -2.244 1
1 1105 . 1 1 1 A 94 94 GLU CB C 94 28.813 29.483 -0.670 1
1 1107 . 1 1 1 A 94 94 GLU N N 94 126.541 126.656 -0.115 1
1 1108 . 1 1 1 A 95 95 LYS H H 95 9.002 7.700 1.302 1
1 1109 . 1 1 1 A 95 95 LYS HA H 95 4.076 4.116 -0.040 1
1 1118 . 1 1 1 A 95 95 LYS C C 95 174.890 176.742 -1.852 1
1 1119 . 1 1 1 A 95 95 LYS CA C 95 57.782 58.727 -0.945 1
1 1120 . 1 1 1 A 95 95 LYS CB C 95 34.056 32.795 1.261 1
1 1124 . 1 1 1 A 95 95 LYS N N 95 123.753 118.598 5.155 1
1 1125 . 1 1 1 A 96 96 CYS H H 96 9.063 7.533 1.530 1
1 1126 . 1 1 1 A 96 96 CYS HA H 96 4.755 4.599 0.156 1
1 1129 . 1 1 1 A 96 96 CYS C C 96 174.775 173.699 1.076 1
1 1130 . 1 1 1 A 96 96 CYS CA C 96 58.756 57.172 1.584 1
1 1131 . 1 1 1 A 96 96 CYS CB C 96 32.066 29.618 2.448 1
1 1132 . 1 1 1 A 96 96 CYS N N 96 120.699 115.239 5.460 1
1 1133 . 1 1 1 A 97 97 HIS H H 97 7.541 8.642 -1.101 1
1 1134 . 1 1 1 A 97 97 HIS HA H 97 4.474 4.816 -0.342 1
1 1139 . 1 1 1 A 97 97 HIS C C 97 178.193 174.002 4.191 1
1 1140 . 1 1 1 A 97 97 HIS CA C 97 57.481 54.744 2.737 1
1 1141 . 1 1 1 A 97 97 HIS CB C 97 27.126 27.610 -0.484 1
1 1144 . 1 1 1 A 97 97 HIS N N 97 116.676 124.369 -7.693 1
1 1147 . 1 1 1 A 98 98 SER H H 98 8.775 8.421 0.354 1
1 1148 . 1 1 1 A 98 98 SER HA H 98 4.322 5.012 -0.690 1
1 1151 . 1 1 1 A 98 98 SER C C 98 176.432 172.975 3.457 1
1 1152 . 1 1 1 A 98 98 SER CA C 98 58.923 56.538 2.385 1
1 1153 . 1 1 1 A 98 98 SER CB C 98 64.790 65.362 -0.572 1
1 1154 . 1 1 1 A 98 98 SER N N 98 116.989 118.289 -1.300 1
1 1155 . 1 1 1 A 99 99 LYS H H 99 8.567 8.818 -0.251 1
1 1156 . 1 1 1 A 99 99 LYS HA H 99 4.935 4.682 0.253 1
1 1165 . 1 1 1 A 99 99 LYS C C 99 173.648 177.012 -3.364 1
1 1166 . 1 1 1 A 99 99 LYS CA C 99 56.417 55.985 0.432 1
1 1167 . 1 1 1 A 99 99 LYS CB C 99 32.366 32.236 0.130 1
1 1171 . 1 1 1 A 99 99 LYS N N 99 122.510 124.253 -1.743 1
1 1172 . 1 1 1 A 100 100 ASN H H 100 9.426 8.454 0.972 1
1 1173 . 1 1 1 A 100 100 ASN HA H 100 4.916 4.557 0.359 1
1 1178 . 1 1 1 A 100 100 ASN C C 100 178.498 175.510 2.988 1
1 1179 . 1 1 1 A 100 100 ASN CA C 100 51.999 54.151 -2.152 1
1 1180 . 1 1 1 A 100 100 ASN CB C 100 36.539 37.593 -1.054 1
1 1181 . 1 1 1 A 100 100 ASN N N 100 124.489 117.746 6.743 1
1 1183 . 1 1 1 A 101 101 VAL H H 101 7.627 7.485 0.142 1
1 1184 . 1 1 1 A 101 101 VAL HA H 101 5.329 4.194 1.135 1
1 1192 . 1 1 1 A 101 101 VAL C C 101 175.484 175.779 -0.295 1
1 1193 . 1 1 1 A 101 101 VAL CA C 101 58.253 62.103 -3.850 1
1 1194 . 1 1 1 A 101 101 VAL CB C 101 34.692 32.547 2.145 1
1 1197 . 1 1 1 A 101 101 VAL N N 101 112.585 119.369 -6.784 1
1 1198 . 1 1 1 A 102 102 ILE H H 102 9.032 8.749 0.283 1
1 1199 . 1 1 1 A 102 102 ILE HA H 102 4.671 4.793 -0.122 1
1 1209 . 1 1 1 A 102 102 ILE C C 102 177.283 174.732 2.551 1
1 1210 . 1 1 1 A 102 102 ILE CA C 102 58.979 58.616 0.363 1
1 1211 . 1 1 1 A 102 102 ILE CB C 102 41.970 41.950 0.020 1
1 1215 . 1 1 1 A 102 102 ILE N N 102 119.819 119.781 0.038 1
1 1216 . 1 1 1 A 103 103 ILE H H 103 8.364 8.852 -0.488 1
1 1217 . 1 1 1 A 103 103 ILE HA H 103 4.527 4.099 0.428 1
1 1227 . 1 1 1 A 103 103 ILE C C 103 174.186 176.464 -2.278 1
1 1228 . 1 1 1 A 103 103 ILE CA C 103 61.366 61.595 -0.229 1
1 1229 . 1 1 1 A 103 103 ILE CB C 103 38.577 36.976 1.601 1
1 1233 . 1 1 1 A 103 103 ILE N N 103 123.325 124.727 -1.402 1
1 1234 . 1 1 1 A 104 104 THR H H 104 8.796 8.672 0.124 1
1 1235 . 1 1 1 A 104 104 THR HA H 104 4.260 4.359 -0.099 1
1 1240 . 1 1 1 A 104 104 THR C C 104 176.317 173.867 2.450 1
1 1241 . 1 1 1 A 104 104 THR CA C 104 62.708 63.385 -0.677 1
1 1242 . 1 1 1 A 104 104 THR CB C 104 68.431 69.740 -1.309 1
1 1244 . 1 1 1 A 104 104 THR N N 104 120.825 122.939 -2.114 1
1 1245 . 1 1 1 A 105 105 GLN H H 105 7.705 7.568 0.137 1
1 1246 . 1 1 1 A 105 105 GLN HA H 105 4.482 4.561 -0.079 1
1 1253 . 1 1 1 A 105 105 GLN C C 105 177.316 175.298 2.018 1
1 1254 . 1 1 1 A 105 105 GLN CA C 105 55.621 55.472 0.149 1
1 1255 . 1 1 1 A 105 105 GLN CB C 105 31.897 31.867 0.030 1
1 1257 . 1 1 1 A 105 105 GLN N N 105 118.599 119.686 -1.087 1
1 1259 . 1 1 1 A 106 106 GLY H H 106 9.091 8.507 0.584 1
1 1260 . 1 1 1 A 106 106 GLY HA2 H 106 3.472 3.925 -0.453 1
1 1261 . 1 1 1 A 106 106 GLY HA3 H 106 4.255 3.926 0.329 1
1 1262 . 1 1 1 A 106 106 GLY C C 106 178.226 175.851 2.375 1
1 1263 . 1 1 1 A 106 106 GLY CA C 106 45.497 45.284 0.213 1
1 1264 . 1 1 1 A 106 106 GLY N N 106 106.938 114.432 -7.494 1
1 1265 . 1 1 1 A 107 107 ASN H H 107 8.542 8.199 0.343 1
1 1266 . 1 1 1 A 107 107 ASN HA H 107 4.670 4.660 0.010 1
1 1271 . 1 1 1 A 107 107 ASN C C 107 176.917 175.174 1.743 1
1 1272 . 1 1 1 A 107 107 ASN CA C 107 52.697 53.817 -1.120 1
1 1273 . 1 1 1 A 107 107 ASN CB C 107 39.745 39.147 0.598 1
1 1274 . 1 1 1 A 107 107 ASN N N 107 117.838 117.195 0.643 1
1 1276 . 1 1 1 A 108 108 GLU H H 108 8.050 7.708 0.342 1
1 1277 . 1 1 1 A 108 108 GLU HA H 108 4.638 4.795 -0.157 1
1 1282 . 1 1 1 A 108 108 GLU C C 108 176.463 174.941 1.522 1
1 1283 . 1 1 1 A 108 108 GLU CA C 108 55.693 54.694 0.999 1
1 1284 . 1 1 1 A 108 108 GLU CB C 108 32.643 32.743 -0.100 1
1 1286 . 1 1 1 A 108 108 GLU N N 108 118.542 117.132 1.410 1
1 1287 . 1 1 1 A 109 109 MET H H 109 8.431 8.867 -0.436 1
1 1288 . 1 1 1 A 109 109 MET HA H 109 5.236 4.808 0.428 1
1 1296 . 1 1 1 A 109 109 MET C C 109 176.443 175.362 1.081 1
1 1297 . 1 1 1 A 109 109 MET CA C 109 54.801 55.205 -0.404 1
1 1298 . 1 1 1 A 109 109 MET CB C 109 33.115 33.460 -0.345 1
1 1301 . 1 1 1 A 109 109 MET N N 109 121.401 125.069 -3.668 1
1 1302 . 1 1 1 A 110 110 ARG H H 110 9.166 8.840 0.326 1
1 1303 . 1 1 1 A 110 110 ARG HA H 110 4.771 5.005 -0.234 1
1 1311 . 1 1 1 A 110 110 ARG C C 110 177.215 174.883 2.332 1
1 1312 . 1 1 1 A 110 110 ARG CA C 110 54.826 54.223 0.603 1
1 1313 . 1 1 1 A 110 110 ARG CB C 110 33.474 33.888 -0.414 1
1 1316 . 1 1 1 A 110 110 ARG N N 110 123.271 121.067 2.204 1
1 1318 . 1 1 1 A 111 111 LEU H H 111 8.874 8.532 0.342 1
1 1319 . 1 1 1 A 111 111 LEU HA H 111 4.335 4.423 -0.088 1
1 1329 . 1 1 1 A 111 111 LEU C C 111 175.976 177.031 -1.055 1
1 1330 . 1 1 1 A 111 111 LEU CA C 111 55.633 54.924 0.709 1
1 1331 . 1 1 1 A 111 111 LEU CB C 111 42.413 43.082 -0.669 1
1 1335 . 1 1 1 A 111 111 LEU N N 111 125.212 118.685 6.527 1
1 1336 . 1 1 1 A 112 112 LEU HA H 112 4.432 4.368 0.064 1
1 1346 . 1 1 1 A 112 112 LEU C C 112 173.898 176.463 -2.565 1
1 1347 . 1 1 1 A 112 112 LEU CA C 112 56.230 55.940 0.290 1
1 1348 . 1 1 1 A 112 112 LEU CB C 112 42.688 42.580 0.108 1
1 1352 . 1 1 1 A 113 113 SER H H 113 7.895 7.196 0.699 1
1 1353 . 1 1 1 A 113 113 SER HA H 113 4.509 4.633 -0.124 1
1 1356 . 1 1 1 A 113 113 SER C C 113 180.240 172.102 8.138 1
1 1357 . 1 1 1 A 113 113 SER CA C 113 58.129 57.192 0.937 1
1 1358 . 1 1 1 A 113 113 SER CB C 113 64.473 64.932 -0.459 1
1 1359 . 1 1 1 A 113 113 SER N N 113 110.894 109.134 1.760 1
1 1360 . 1 1 1 A 114 114 LEU H H 114 8.151 8.444 -0.293 1
1 1361 . 1 1 1 A 114 114 LEU HA H 114 5.086 5.167 -0.081 1
1 1371 . 1 1 1 A 114 114 LEU C C 114 175.777 175.712 0.065 1
1 1372 . 1 1 1 A 114 114 LEU CA C 114 53.830 53.700 0.130 1
1 1373 . 1 1 1 A 114 114 LEU CB C 114 46.471 46.576 -0.105 1
1 1377 . 1 1 1 A 114 114 LEU N N 114 120.671 122.591 -1.920 1
1 1378 . 1 1 1 A 115 115 GLU H H 115 8.666 8.896 -0.230 1
1 1379 . 1 1 1 A 115 115 GLU HA H 115 4.823 5.185 -0.362 1
1 1384 . 1 1 1 A 115 115 GLU C C 115 175.727 175.318 0.409 1
1 1385 . 1 1 1 A 115 115 GLU CA C 115 55.127 54.690 0.437 1
1 1386 . 1 1 1 A 115 115 GLU CB C 115 31.063 34.183 -3.120 1
1 1388 . 1 1 1 A 115 115 GLU N N 115 122.105 119.748 2.357 1
1 1389 . 1 1 1 A 116 116 MET H H 116 9.159 8.830 0.329 1
1 1390 . 1 1 1 A 116 116 MET HA H 116 4.989 5.099 -0.110 1
1 1398 . 1 1 1 A 116 116 MET C C 116 177.447 173.920 3.527 1
1 1399 . 1 1 1 A 116 116 MET CA C 116 54.669 54.365 0.304 1
1 1400 . 1 1 1 A 116 116 MET CB C 116 36.107 37.021 -0.914 1
1 1403 . 1 1 1 A 116 116 MET N N 116 123.947 121.492 2.455 1
1 1404 . 1 1 1 A 117 117 LEU H H 117 8.573 8.918 -0.345 1
1 1405 . 1 1 1 A 117 117 LEU HA H 117 4.670 4.917 -0.247 1
1 1412 . 1 1 1 A 117 117 LEU C C 117 175.990 176.672 -0.682 1
1 1413 . 1 1 1 A 117 117 LEU CA C 117 54.549 53.947 0.602 1
1 1414 . 1 1 1 A 117 117 LEU CB C 117 44.045 43.843 0.202 1
1 1417 . 1 1 1 A 117 117 LEU N N 117 122.478 124.380 -1.902 1
1 1418 . 1 1 1 A 118 118 ALA H H 118 8.714 8.816 -0.102 1
1 1419 . 1 1 1 A 118 118 ALA HA H 118 4.604 4.101 0.503 1
1 1423 . 1 1 1 A 118 118 ALA C C 118 175.279 177.896 -2.617 1
1 1424 . 1 1 1 A 118 118 ALA CA C 118 52.155 54.363 -2.208 1
1 1425 . 1 1 1 A 118 118 ALA CB C 118 20.444 18.563 1.881 1
1 1426 . 1 1 1 A 118 118 ALA N N 118 127.701 129.207 -1.506 1
1 4 . 2 1 1 A 2 2 SER HA H 2 4.544 5.177 -0.633 1
1 7 . 2 1 1 A 2 2 SER CA C 2 58.424 56.971 1.453 1
1 8 . 2 1 1 A 2 2 SER CB C 2 64.017 65.560 -1.543 1
1 13 . 2 1 1 A 4 4 HIS HA H 4 4.504 4.177 0.327 1
1 17 . 2 1 1 A 4 4 HIS C C 4 175.043 177.191 -2.148 1
1 18 . 2 1 1 A 4 4 HIS CA C 4 58.574 59.416 -0.842 1
1 19 . 2 1 1 A 4 4 HIS CB C 4 30.859 29.976 0.883 1
1 20 . 2 1 1 A 5 5 GLU H H 5 10.002 8.940 1.062 1
1 21 . 2 1 1 A 5 5 GLU HA H 5 3.831 3.905 -0.074 1
1 26 . 2 1 1 A 5 5 GLU C C 5 173.758 176.841 -3.083 1
1 27 . 2 1 1 A 5 5 GLU CA C 5 61.822 58.577 3.245 1
1 28 . 2 1 1 A 5 5 GLU CB C 5 28.884 28.415 0.469 1
1 30 . 2 1 1 A 5 5 GLU N N 5 120.850 116.445 4.405 1
1 31 . 2 1 1 A 6 6 TYR H H 6 8.163 7.532 0.631 1
1 32 . 2 1 1 A 6 6 TYR HA H 6 4.066 4.106 -0.040 1
1 39 . 2 1 1 A 6 6 TYR C C 6 173.754 176.370 -2.616 1
1 40 . 2 1 1 A 6 6 TYR CA C 6 61.029 58.087 2.942 1
1 41 . 2 1 1 A 6 6 TYR CB C 6 37.391 37.259 0.132 1
1 44 . 2 1 1 A 6 6 TYR N N 6 117.171 118.574 -1.403 1
1 45 . 2 1 1 A 7 7 SER H H 7 7.929 7.826 0.103 1
1 46 . 2 1 1 A 7 7 SER HA H 7 4.265 4.026 0.239 1
1 49 . 2 1 1 A 7 7 SER C C 7 174.434 177.151 -2.717 1
1 50 . 2 1 1 A 7 7 SER CA C 7 61.471 61.699 -0.228 1
1 51 . 2 1 1 A 7 7 SER CB C 7 62.686 62.861 -0.175 1
1 52 . 2 1 1 A 7 7 SER N N 7 116.417 117.658 -1.241 1
1 53 . 2 1 1 A 8 8 VAL H H 8 8.088 7.876 0.212 1
1 54 . 2 1 1 A 8 8 VAL HA H 8 3.795 3.690 0.105 1
1 62 . 2 1 1 A 8 8 VAL C C 8 172.652 178.271 -5.619 1
1 63 . 2 1 1 A 8 8 VAL CA C 8 66.036 66.898 -0.862 1
1 64 . 2 1 1 A 8 8 VAL CB C 8 31.811 31.612 0.199 1
1 67 . 2 1 1 A 8 8 VAL N N 8 122.514 120.117 2.397 1
1 68 . 2 1 1 A 9 9 VAL H H 9 8.255 8.068 0.187 1
1 69 . 2 1 1 A 9 9 VAL HA H 9 3.539 3.588 -0.049 1
1 77 . 2 1 1 A 9 9 VAL C C 9 174.142 178.016 -3.874 1
1 78 . 2 1 1 A 9 9 VAL CA C 9 67.201 66.927 0.274 1
1 79 . 2 1 1 A 9 9 VAL CB C 9 30.859 31.425 -0.566 1
1 82 . 2 1 1 A 9 9 VAL N N 9 120.829 120.393 0.436 1
1 83 . 2 1 1 A 10 10 SER H H 10 8.179 8.203 -0.024 1
1 84 . 2 1 1 A 10 10 SER HA H 10 3.726 4.066 -0.340 1
1 87 . 2 1 1 A 10 10 SER C C 10 173.669 177.326 -3.657 1
1 88 . 2 1 1 A 10 10 SER CA C 10 62.397 61.669 0.728 1
1 89 . 2 1 1 A 10 10 SER CB C 10 62.470 62.903 -0.433 1
1 90 . 2 1 1 A 10 10 SER N N 10 115.937 115.442 0.495 1
1 91 . 2 1 1 A 11 11 SER H H 11 7.860 7.895 -0.035 1
1 92 . 2 1 1 A 11 11 SER HA H 11 4.312 4.114 0.198 1
1 95 . 2 1 1 A 11 11 SER C C 11 174.888 176.263 -1.375 1
1 96 . 2 1 1 A 11 11 SER CA C 11 61.863 62.440 -0.577 1
1 97 . 2 1 1 A 11 11 SER CB C 11 62.638 62.932 -0.294 1
1 98 . 2 1 1 A 11 11 SER N N 11 117.940 117.042 0.898 1
1 99 . 2 1 1 A 12 12 LEU H H 12 8.197 8.421 -0.224 1
1 100 . 2 1 1 A 12 12 LEU HA H 12 4.331 4.089 0.242 1
1 110 . 2 1 1 A 12 12 LEU C C 12 172.791 178.745 -5.954 1
1 111 . 2 1 1 A 12 12 LEU CA C 12 58.035 58.581 -0.546 1
1 112 . 2 1 1 A 12 12 LEU CB C 12 42.062 41.976 0.086 1
1 116 . 2 1 1 A 12 12 LEU N N 12 125.411 122.751 2.660 1
1 117 . 2 1 1 A 13 13 ILE H H 13 8.689 8.171 0.518 1
1 118 . 2 1 1 A 13 13 ILE HA H 13 3.654 3.811 -0.157 1
1 128 . 2 1 1 A 13 13 ILE C C 13 173.945 177.901 -3.956 1
1 129 . 2 1 1 A 13 13 ILE CA C 13 65.287 65.945 -0.658 1
1 130 . 2 1 1 A 13 13 ILE CB C 13 36.843 37.773 -0.930 1
1 134 . 2 1 1 A 13 13 ILE N N 13 121.352 119.953 1.399 1
1 135 . 2 1 1 A 14 14 ALA H H 14 7.692 8.408 -0.716 1
1 136 . 2 1 1 A 14 14 ALA HA H 14 4.218 4.108 0.110 1
1 140 . 2 1 1 A 14 14 ALA C C 14 170.805 179.913 -9.108 1
1 141 . 2 1 1 A 14 14 ALA CA C 14 55.484 55.272 0.212 1
1 142 . 2 1 1 A 14 14 ALA CB C 14 17.698 18.148 -0.450 1
1 143 . 2 1 1 A 14 14 ALA N N 14 121.374 122.691 -1.317 1
1 144 . 2 1 1 A 15 15 LEU H H 15 8.040 8.326 -0.286 1
1 145 . 2 1 1 A 15 15 LEU HA H 15 4.253 3.660 0.593 1
1 152 . 2 1 1 A 15 15 LEU C C 15 171.818 178.927 -7.109 1
1 153 . 2 1 1 A 15 15 LEU CA C 15 58.208 57.919 0.289 1
1 154 . 2 1 1 A 15 15 LEU CB C 15 42.286 41.916 0.370 1
1 157 . 2 1 1 A 15 15 LEU N N 15 121.328 118.210 3.118 1
1 158 . 2 1 1 A 16 16 CYS H H 16 8.587 8.449 0.138 1
1 159 . 2 1 1 A 16 16 CYS HA H 16 3.954 4.135 -0.181 1
1 162 . 2 1 1 A 16 16 CYS C C 16 174.494 176.863 -2.369 1
1 163 . 2 1 1 A 16 16 CYS CA C 16 64.933 63.561 1.372 1
1 164 . 2 1 1 A 16 16 CYS CB C 16 26.960 26.714 0.246 1
1 165 . 2 1 1 A 16 16 CYS N N 16 118.908 116.494 2.414 1
1 166 . 2 1 1 A 17 17 GLU H H 17 8.576 8.541 0.035 1
1 167 . 2 1 1 A 17 17 GLU HA H 17 3.806 3.966 -0.160 1
1 172 . 2 1 1 A 17 17 GLU C C 17 172.225 178.761 -6.536 1
1 173 . 2 1 1 A 17 17 GLU CA C 17 60.306 59.954 0.352 1
1 174 . 2 1 1 A 17 17 GLU CB C 17 29.130 28.967 0.163 1
1 176 . 2 1 1 A 17 17 GLU N N 17 118.419 121.404 -2.985 1
1 177 . 2 1 1 A 18 18 GLU H H 18 8.156 8.200 -0.044 1
1 178 . 2 1 1 A 18 18 GLU HA H 18 4.115 3.985 0.130 1
1 183 . 2 1 1 A 18 18 GLU C C 18 172.241 179.299 -7.058 1
1 184 . 2 1 1 A 18 18 GLU CA C 18 59.507 59.453 0.054 1
1 185 . 2 1 1 A 18 18 GLU CB C 18 29.335 29.341 -0.006 1
1 187 . 2 1 1 A 18 18 GLU N N 18 121.603 119.196 2.407 1
1 188 . 2 1 1 A 19 19 HIS H H 19 8.379 8.006 0.373 1
1 189 . 2 1 1 A 19 19 HIS HA H 19 4.174 4.397 -0.223 1
1 194 . 2 1 1 A 19 19 HIS C C 19 172.511 177.784 -5.273 1
1 195 . 2 1 1 A 19 19 HIS CA C 19 60.525 59.436 1.089 1
1 196 . 2 1 1 A 19 19 HIS CB C 19 31.354 29.839 1.515 1
1 198 . 2 1 1 A 19 19 HIS N N 19 119.634 119.036 0.598 1
1 201 . 2 1 1 A 20 20 ALA H H 20 8.568 8.384 0.184 1
1 202 . 2 1 1 A 20 20 ALA HA H 20 4.143 3.885 0.258 1
1 206 . 2 1 1 A 20 20 ALA C C 20 172.155 179.261 -7.106 1
1 207 . 2 1 1 A 20 20 ALA CA C 20 55.716 55.287 0.429 1
1 208 . 2 1 1 A 20 20 ALA CB C 20 17.682 18.186 -0.504 1
1 209 . 2 1 1 A 20 20 ALA N N 20 122.453 122.496 -0.043 1
1 210 . 2 1 1 A 21 21 LYS H H 21 8.055 7.977 0.078 1
1 211 . 2 1 1 A 21 21 LYS HA H 21 4.128 3.871 0.257 1
1 220 . 2 1 1 A 21 21 LYS C C 21 170.753 178.675 -7.922 1
1 221 . 2 1 1 A 21 21 LYS CA C 21 59.469 59.184 0.285 1
1 222 . 2 1 1 A 21 21 LYS CB C 21 32.369 31.910 0.459 1
1 226 . 2 1 1 A 21 21 LYS N N 21 118.604 116.313 2.291 1
1 227 . 2 1 1 A 22 22 LYS H H 22 8.092 7.700 0.392 1
1 228 . 2 1 1 A 22 22 LYS HA H 22 4.100 4.079 0.021 1
1 237 . 2 1 1 A 22 22 LYS C C 22 174.300 178.172 -3.872 1
1 238 . 2 1 1 A 22 22 LYS CA C 22 58.920 59.200 -0.280 1
1 239 . 2 1 1 A 22 22 LYS CB C 22 32.406 32.269 0.137 1
1 243 . 2 1 1 A 22 22 LYS N N 22 119.468 119.649 -0.181 1
1 244 . 2 1 1 A 23 23 ASN H H 23 7.461 7.923 -0.462 1
1 245 . 2 1 1 A 23 23 ASN HA H 23 4.710 4.776 -0.066 1
1 248 . 2 1 1 A 23 23 ASN C C 23 178.526 174.751 3.775 1
1 249 . 2 1 1 A 23 23 ASN CA C 23 53.514 53.310 0.204 1
1 250 . 2 1 1 A 23 23 ASN CB C 23 40.124 38.966 1.158 1
1 251 . 2 1 1 A 23 23 ASN N N 23 115.166 116.972 -1.806 1
1 252 . 2 1 1 A 24 24 GLN H H 24 7.879 7.842 0.037 1
1 253 . 2 1 1 A 24 24 GLN HA H 24 3.927 3.629 0.298 1
1 260 . 2 1 1 A 24 24 GLN C C 24 177.284 175.467 1.817 1
1 261 . 2 1 1 A 24 24 GLN CA C 24 57.083 56.698 0.385 1
1 262 . 2 1 1 A 24 24 GLN CB C 24 26.400 25.907 0.493 1
1 264 . 2 1 1 A 24 24 GLN N N 24 116.046 116.371 -0.325 1
1 266 . 2 1 1 A 25 25 ALA H H 25 8.491 8.170 0.321 1
1 267 . 2 1 1 A 25 25 ALA HA H 25 4.600 4.242 0.358 1
1 271 . 2 1 1 A 25 25 ALA C C 25 174.729 177.850 -3.121 1
1 272 . 2 1 1 A 25 25 ALA CA C 25 51.416 54.052 -2.636 1
1 273 . 2 1 1 A 25 25 ALA CB C 25 21.350 19.687 1.663 1
1 274 . 2 1 1 A 25 25 ALA N N 25 120.372 120.389 -0.017 1
1 275 . 2 1 1 A 26 26 HIS H H 26 8.476 7.474 1.002 1
1 276 . 2 1 1 A 26 26 HIS HA H 26 4.736 4.217 0.519 1
1 280 . 2 1 1 A 26 26 HIS C C 26 176.751 173.583 3.168 1
1 281 . 2 1 1 A 26 26 HIS CA C 26 56.211 57.324 -1.113 1
1 282 . 2 1 1 A 26 26 HIS CB C 26 31.838 27.203 4.635 1
1 284 . 2 1 1 A 26 26 HIS N N 26 117.648 112.633 5.015 1
1 285 . 2 1 1 A 27 27 LYS H H 27 7.540 7.374 0.166 1
1 286 . 2 1 1 A 27 27 LYS HA H 27 4.766 4.631 0.135 1
1 295 . 2 1 1 A 27 27 LYS C C 27 176.918 174.015 2.903 1
1 296 . 2 1 1 A 27 27 LYS CA C 27 55.877 54.927 0.950 1
1 297 . 2 1 1 A 27 27 LYS CB C 27 36.796 35.371 1.425 1
1 301 . 2 1 1 A 27 27 LYS N N 27 116.451 113.567 2.884 1
1 302 . 2 1 1 A 28 28 ILE H H 28 8.320 8.933 -0.613 1
1 303 . 2 1 1 A 28 28 ILE HA H 28 4.319 4.752 -0.433 1
1 310 . 2 1 1 A 28 28 ILE C C 28 176.921 176.464 0.457 1
1 311 . 2 1 1 A 28 28 ILE CA C 28 60.552 59.702 0.850 1
1 312 . 2 1 1 A 28 28 ILE CB C 28 38.843 39.905 -1.062 1
1 313 . 2 1 1 A 28 28 ILE N N 28 123.140 122.167 0.973 1
1 314 . 2 1 1 A 29 29 GLU H H 29 9.001 9.429 -0.428 1
1 315 . 2 1 1 A 29 29 GLU HA H 29 4.446 4.474 -0.028 1
1 320 . 2 1 1 A 29 29 GLU C C 29 174.406 175.616 -1.210 1
1 321 . 2 1 1 A 29 29 GLU CA C 29 57.363 57.895 -0.532 1
1 322 . 2 1 1 A 29 29 GLU CB C 29 31.761 31.212 0.549 1
1 324 . 2 1 1 A 29 29 GLU N N 29 125.872 125.017 0.855 1
1 325 . 2 1 1 A 30 30 ARG H H 30 7.654 7.727 -0.073 1
1 326 . 2 1 1 A 30 30 ARG HA H 30 5.282 5.032 0.250 1
1 334 . 2 1 1 A 30 30 ARG C C 30 178.750 173.483 5.267 1
1 335 . 2 1 1 A 30 30 ARG CA C 30 55.558 55.269 0.289 1
1 336 . 2 1 1 A 30 30 ARG CB C 30 34.774 33.800 0.974 1
1 338 . 2 1 1 A 30 30 ARG N N 30 119.436 118.853 0.583 1
1 340 . 2 1 1 A 31 31 VAL H H 31 9.234 9.014 0.220 1
1 341 . 2 1 1 A 31 31 VAL HA H 31 4.397 5.021 -0.624 1
1 349 . 2 1 1 A 31 31 VAL C C 31 178.662 173.396 5.266 1
1 350 . 2 1 1 A 31 31 VAL CA C 31 60.882 59.677 1.205 1
1 351 . 2 1 1 A 31 31 VAL CB C 31 34.494 35.379 -0.885 1
1 354 . 2 1 1 A 31 31 VAL N N 31 127.428 122.721 4.707 1
1 355 . 2 1 1 A 32 32 VAL H H 32 8.626 8.826 -0.200 1
1 356 . 2 1 1 A 32 32 VAL HA H 32 5.039 5.080 -0.041 1
1 364 . 2 1 1 A 32 32 VAL C C 32 175.519 173.901 1.618 1
1 365 . 2 1 1 A 32 32 VAL CA C 32 60.917 60.628 0.289 1
1 366 . 2 1 1 A 32 32 VAL CB C 32 31.892 34.155 -2.263 1
1 368 . 2 1 1 A 32 32 VAL N N 32 126.581 126.988 -0.407 1
1 369 . 2 1 1 A 33 33 VAL H H 33 8.802 9.344 -0.542 1
1 370 . 2 1 1 A 33 33 VAL HA H 33 4.917 4.867 0.050 1
1 378 . 2 1 1 A 33 33 VAL C C 33 178.038 174.074 3.964 1
1 379 . 2 1 1 A 33 33 VAL CA C 33 58.975 59.684 -0.709 1
1 380 . 2 1 1 A 33 33 VAL CB C 33 35.109 34.543 0.566 1
1 383 . 2 1 1 A 33 33 VAL N N 33 122.994 128.847 -5.853 1
1 384 . 2 1 1 A 34 34 GLY H H 34 9.535 9.187 0.348 1
1 385 . 2 1 1 A 34 34 GLY HA2 H 34 5.187 4.191 0.996 1
1 386 . 2 1 1 A 34 34 GLY HA3 H 34 3.404 4.197 -0.793 1
1 387 . 2 1 1 A 34 34 GLY C C 34 178.060 171.955 6.105 1
1 388 . 2 1 1 A 34 34 GLY CA C 34 44.108 44.531 -0.423 1
1 389 . 2 1 1 A 34 34 GLY N N 34 112.269 114.294 -2.025 1
1 390 . 2 1 1 A 35 35 ILE H H 35 8.761 9.670 -0.909 1
1 391 . 2 1 1 A 35 35 ILE HA H 35 4.340 4.678 -0.338 1
1 401 . 2 1 1 A 35 35 ILE C C 35 174.823 176.138 -1.315 1
1 402 . 2 1 1 A 35 35 ILE CA C 35 60.287 59.350 0.937 1
1 403 . 2 1 1 A 35 35 ILE CB C 35 39.357 40.568 -1.211 1
1 407 . 2 1 1 A 35 35 ILE N N 35 123.848 126.110 -2.262 1
1 408 . 2 1 1 A 36 36 GLY H H 36 8.439 8.164 0.275 1
1 409 . 2 1 1 A 36 36 GLY HA2 H 36 3.321 4.085 -0.764 1
1 410 . 2 1 1 A 36 36 GLY HA3 H 36 4.444 4.090 0.354 1
1 411 . 2 1 1 A 36 36 GLY C C 36 175.743 174.787 0.956 1
1 412 . 2 1 1 A 36 36 GLY CA C 36 46.389 45.636 0.753 1
1 413 . 2 1 1 A 36 36 GLY N N 36 117.219 114.141 3.078 1
1 414 . 2 1 1 A 37 37 GLU H H 37 8.756 9.053 -0.297 1
1 415 . 2 1 1 A 37 37 GLU HA H 37 4.277 4.109 0.168 1
1 420 . 2 1 1 A 37 37 GLU C C 37 174.413 176.727 -2.314 1
1 421 . 2 1 1 A 37 37 GLU CA C 37 58.568 58.374 0.194 1
1 422 . 2 1 1 A 37 37 GLU CB C 37 29.809 29.053 0.756 1
1 424 . 2 1 1 A 37 37 GLU N N 37 124.260 120.687 3.573 1
1 425 . 2 1 1 A 38 38 ARG H H 38 8.483 7.794 0.689 1
1 426 . 2 1 1 A 38 38 ARG HA H 38 4.594 4.560 0.034 1
1 434 . 2 1 1 A 38 38 ARG C C 38 175.250 176.524 -1.274 1
1 435 . 2 1 1 A 38 38 ARG CA C 38 54.916 55.384 -0.468 1
1 436 . 2 1 1 A 38 38 ARG CB C 38 29.706 30.671 -0.965 1
1 439 . 2 1 1 A 38 38 ARG N N 38 117.248 119.945 -2.697 1
1 441 . 2 1 1 A 39 39 SER H H 39 7.630 7.832 -0.202 1
1 442 . 2 1 1 A 39 39 SER HA H 39 4.139 4.385 -0.246 1
1 445 . 2 1 1 A 39 39 SER C C 39 176.694 173.886 2.808 1
1 446 . 2 1 1 A 39 39 SER CA C 39 59.524 60.218 -0.694 1
1 447 . 2 1 1 A 39 39 SER CB C 39 64.248 63.080 1.168 1
1 448 . 2 1 1 A 39 39 SER N N 39 115.086 115.503 -0.417 1
1 449 . 2 1 1 A 40 40 ALA H H 40 8.667 7.983 0.684 1
1 450 . 2 1 1 A 40 40 ALA HA H 40 4.267 3.981 0.286 1
1 454 . 2 1 1 A 40 40 ALA C C 40 174.406 176.295 -1.889 1
1 455 . 2 1 1 A 40 40 ALA CA C 40 52.641 53.725 -1.084 1
1 456 . 2 1 1 A 40 40 ALA CB C 40 17.976 17.866 0.110 1
1 457 . 2 1 1 A 40 40 ALA N N 40 126.133 122.286 3.847 1
1 458 . 2 1 1 A 41 41 MET H H 41 7.793 7.758 0.035 1
1 459 . 2 1 1 A 41 41 MET HA H 41 4.389 4.673 -0.284 1
1 467 . 2 1 1 A 41 41 MET C C 41 176.689 174.933 1.756 1
1 468 . 2 1 1 A 41 41 MET CA C 41 55.965 54.918 1.047 1
1 469 . 2 1 1 A 41 41 MET CB C 41 34.761 34.103 0.658 1
1 472 . 2 1 1 A 41 41 MET N N 41 117.758 116.896 0.862 1
1 473 . 2 1 1 A 42 42 ASP H H 42 9.667 8.465 1.202 1
1 474 . 2 1 1 A 42 42 ASP HA H 42 4.706 4.975 -0.269 1
1 477 . 2 1 1 A 42 42 ASP C C 42 174.559 176.459 -1.900 1
1 478 . 2 1 1 A 42 42 ASP CA C 42 53.363 52.688 0.675 1
1 479 . 2 1 1 A 42 42 ASP CB C 42 41.740 42.238 -0.498 1
1 480 . 2 1 1 A 42 42 ASP N N 42 125.565 121.815 3.750 1
1 481 . 2 1 1 A 43 43 LYS H H 43 8.928 8.713 0.215 1
1 482 . 2 1 1 A 43 43 LYS HA H 43 3.752 4.200 -0.448 1
1 491 . 2 1 1 A 43 43 LYS C C 43 173.737 178.711 -4.974 1
1 492 . 2 1 1 A 43 43 LYS CA C 43 60.966 59.197 1.769 1
1 493 . 2 1 1 A 43 43 LYS CB C 43 32.585 32.001 0.584 1
1 497 . 2 1 1 A 43 43 LYS N N 43 127.256 125.440 1.816 1
1 498 . 2 1 1 A 44 44 SER H H 44 8.327 7.625 0.702 1
1 499 . 2 1 1 A 44 44 SER HA H 44 4.009 4.301 -0.292 1
1 502 . 2 1 1 A 44 44 SER C C 44 174.032 177.659 -3.627 1
1 503 . 2 1 1 A 44 44 SER CA C 44 62.461 61.200 1.261 1
1 504 . 2 1 1 A 44 44 SER CB C 44 62.281 62.924 -0.643 1
1 505 . 2 1 1 A 44 44 SER N N 44 114.797 115.237 -0.440 1
1 506 . 2 1 1 A 45 45 LEU H H 45 7.878 7.910 -0.032 1
1 507 . 2 1 1 A 45 45 LEU HA H 45 4.254 4.026 0.228 1
1 517 . 2 1 1 A 45 45 LEU C C 45 172.915 179.177 -6.262 1
1 518 . 2 1 1 A 45 45 LEU CA C 45 57.128 57.843 -0.715 1
1 519 . 2 1 1 A 45 45 LEU CB C 45 41.738 42.114 -0.376 1
1 523 . 2 1 1 A 45 45 LEU N N 45 124.570 122.107 2.463 1
1 524 . 2 1 1 A 46 46 PHE H H 46 8.343 8.380 -0.037 1
1 525 . 2 1 1 A 46 46 PHE HA H 46 3.882 4.196 -0.314 1
1 532 . 2 1 1 A 46 46 PHE C C 46 175.104 177.089 -1.985 1
1 533 . 2 1 1 A 46 46 PHE CA C 46 61.820 61.490 0.330 1
1 534 . 2 1 1 A 46 46 PHE CB C 46 40.047 39.197 0.850 1
1 537 . 2 1 1 A 46 46 PHE N N 46 121.059 118.888 2.171 1
1 538 . 2 1 1 A 47 47 VAL H H 47 8.370 8.176 0.194 1
1 539 . 2 1 1 A 47 47 VAL HA H 47 3.466 3.468 -0.002 1
1 547 . 2 1 1 A 47 47 VAL C C 47 173.353 177.899 -4.546 1
1 548 . 2 1 1 A 47 47 VAL CA C 47 67.220 64.506 2.714 1
1 549 . 2 1 1 A 47 47 VAL CB C 47 31.927 31.244 0.683 1
1 552 . 2 1 1 A 47 47 VAL N N 47 118.023 119.191 -1.168 1
1 553 . 2 1 1 A 48 48 SER H H 48 7.967 8.057 -0.090 1
1 554 . 2 1 1 A 48 48 SER HA H 48 4.268 4.094 0.174 1
1 557 . 2 1 1 A 48 48 SER C C 48 174.187 177.231 -3.044 1
1 558 . 2 1 1 A 48 48 SER CA C 48 61.789 61.470 0.319 1
1 559 . 2 1 1 A 48 48 SER CB C 48 62.761 63.137 -0.376 1
1 560 . 2 1 1 A 48 48 SER N N 48 114.372 116.854 -2.482 1
1 561 . 2 1 1 A 49 49 ALA H H 49 8.489 8.007 0.482 1
1 562 . 2 1 1 A 49 49 ALA HA H 49 3.931 4.233 -0.302 1
1 566 . 2 1 1 A 49 49 ALA C C 49 172.626 179.518 -6.892 1
1 567 . 2 1 1 A 49 49 ALA CA C 49 55.067 55.033 0.034 1
1 568 . 2 1 1 A 49 49 ALA CB C 49 17.587 18.489 -0.902 1
1 569 . 2 1 1 A 49 49 ALA N N 49 124.199 123.012 1.187 1
1 570 . 2 1 1 A 50 50 PHE H H 50 8.510 8.328 0.182 1
1 571 . 2 1 1 A 50 50 PHE HA H 50 3.763 3.970 -0.207 1
1 578 . 2 1 1 A 50 50 PHE C C 50 174.923 177.485 -2.562 1
1 579 . 2 1 1 A 50 50 PHE CA C 50 63.098 61.370 1.728 1
1 580 . 2 1 1 A 50 50 PHE CB C 50 39.465 38.905 0.560 1
1 583 . 2 1 1 A 50 50 PHE N N 50 120.967 119.658 1.309 1
1 584 . 2 1 1 A 51 51 GLU H H 51 8.561 8.723 -0.162 1
1 585 . 2 1 1 A 51 51 GLU HA H 51 3.717 3.798 -0.081 1
1 590 . 2 1 1 A 51 51 GLU C C 51 173.002 179.300 -6.298 1
1 591 . 2 1 1 A 51 51 GLU CA C 51 59.750 59.242 0.508 1
1 592 . 2 1 1 A 51 51 GLU CB C 51 29.330 29.333 -0.003 1
1 594 . 2 1 1 A 51 51 GLU N N 51 116.915 117.835 -0.920 1
1 595 . 2 1 1 A 52 52 THR H H 52 7.759 8.036 -0.277 1
1 596 . 2 1 1 A 52 52 THR HA H 52 4.090 3.860 0.230 1
1 601 . 2 1 1 A 52 52 THR C C 52 174.897 176.142 -1.245 1
1 602 . 2 1 1 A 52 52 THR CA C 52 65.899 66.628 -0.729 1
1 603 . 2 1 1 A 52 52 THR CB C 52 69.172 68.611 0.561 1
1 605 . 2 1 1 A 52 52 THR N N 52 114.348 117.388 -3.040 1
1 606 . 2 1 1 A 53 53 PHE H H 53 8.725 8.287 0.438 1
1 607 . 2 1 1 A 53 53 PHE HA H 53 4.335 4.357 -0.022 1
1 614 . 2 1 1 A 53 53 PHE C C 53 172.389 177.977 -5.588 1
1 615 . 2 1 1 A 53 53 PHE CA C 53 60.011 61.709 -1.698 1
1 616 . 2 1 1 A 53 53 PHE CB C 53 38.244 37.696 0.548 1
1 619 . 2 1 1 A 53 53 PHE N N 53 120.493 118.308 2.185 1
1 620 . 2 1 1 A 54 54 ARG H H 54 8.579 8.002 0.577 1
1 621 . 2 1 1 A 54 54 ARG HA H 54 3.626 3.798 -0.172 1
1 625 . 2 1 1 A 54 54 ARG C C 54 175.195 177.818 -2.623 1
1 626 . 2 1 1 A 54 54 ARG CA C 54 59.252 58.533 0.719 1
1 627 . 2 1 1 A 54 54 ARG CB C 54 26.544 29.352 -2.808 1
1 629 . 2 1 1 A 54 54 ARG N N 54 119.132 118.513 0.619 1
1 631 . 2 1 1 A 55 55 GLU H H 55 6.758 8.327 -1.569 1
1 632 . 2 1 1 A 55 55 GLU HA H 55 3.983 3.891 0.092 1
1 637 . 2 1 1 A 55 55 GLU C C 55 174.356 179.219 -4.863 1
1 638 . 2 1 1 A 55 55 GLU CA C 55 58.002 59.354 -1.352 1
1 639 . 2 1 1 A 55 55 GLU CB C 55 29.865 29.177 0.688 1
1 641 . 2 1 1 A 55 55 GLU N N 55 115.466 118.468 -3.002 1
1 642 . 2 1 1 A 56 56 GLU H H 56 7.245 7.769 -0.524 1
1 643 . 2 1 1 A 56 56 GLU HA H 56 4.294 4.055 0.239 1
1 648 . 2 1 1 A 56 56 GLU C C 56 175.946 176.007 -0.061 1
1 649 . 2 1 1 A 56 56 GLU CA C 56 55.827 58.626 -2.799 1
1 650 . 2 1 1 A 56 56 GLU CB C 56 30.030 29.736 0.294 1
1 652 . 2 1 1 A 56 56 GLU N N 56 114.653 119.533 -4.880 1
1 653 . 2 1 1 A 57 57 SER H H 57 7.405 7.705 -0.300 1
1 654 . 2 1 1 A 57 57 SER HA H 57 4.707 4.803 -0.096 1
1 657 . 2 1 1 A 57 57 SER C C 57 176.895 174.466 2.429 1
1 658 . 2 1 1 A 57 57 SER CA C 57 55.456 56.574 -1.118 1
1 659 . 2 1 1 A 57 57 SER CB C 57 64.059 65.290 -1.231 1
1 660 . 2 1 1 A 57 57 SER N N 57 114.312 113.619 0.693 1
1 661 . 2 1 1 A 58 58 LEU H H 58 8.819 9.038 -0.219 1
1 662 . 2 1 1 A 58 58 LEU HA H 58 4.120 4.052 0.068 1
1 672 . 2 1 1 A 58 58 LEU C C 58 172.006 178.948 -6.942 1
1 673 . 2 1 1 A 58 58 LEU CA C 58 58.438 57.551 0.887 1
1 674 . 2 1 1 A 58 58 LEU CB C 58 41.839 41.353 0.486 1
1 678 . 2 1 1 A 58 58 LEU N N 58 129.477 129.464 0.013 1
1 679 . 2 1 1 A 59 59 VAL H H 59 7.929 7.495 0.434 1
1 680 . 2 1 1 A 59 59 VAL HA H 59 4.305 3.982 0.323 1
1 688 . 2 1 1 A 59 59 VAL C C 59 173.624 178.125 -4.501 1
1 689 . 2 1 1 A 59 59 VAL CA C 59 64.028 64.797 -0.769 1
1 690 . 2 1 1 A 59 59 VAL CB C 59 33.135 31.565 1.570 1
1 693 . 2 1 1 A 59 59 VAL N N 59 112.367 114.742 -2.375 1
1 694 . 2 1 1 A 60 60 CYS H H 60 7.786 7.863 -0.077 1
1 695 . 2 1 1 A 60 60 CYS HA H 60 4.589 4.503 0.086 1
1 698 . 2 1 1 A 60 60 CYS C C 60 176.508 176.249 0.259 1
1 699 . 2 1 1 A 60 60 CYS CA C 60 59.907 61.779 -1.872 1
1 700 . 2 1 1 A 60 60 CYS CB C 60 28.211 26.943 1.268 1
1 701 . 2 1 1 A 60 60 CYS N N 60 115.412 119.660 -4.248 1
1 702 . 2 1 1 A 61 61 LYS H H 61 7.415 7.418 -0.003 1
1 703 . 2 1 1 A 61 61 LYS HA H 61 3.820 4.142 -0.322 1
1 712 . 2 1 1 A 61 61 LYS C C 61 175.812 176.069 -0.257 1
1 713 . 2 1 1 A 61 61 LYS CA C 61 60.389 58.069 2.320 1
1 714 . 2 1 1 A 61 61 LYS CB C 61 32.606 32.135 0.471 1
1 718 . 2 1 1 A 61 61 LYS N N 61 120.942 118.992 1.950 1
1 719 . 2 1 1 A 62 62 ASP C C 62 175.254 174.166 1.088 1
1 720 . 2 1 1 A 62 62 ASP CA C 62 55.159 52.947 2.212 1
1 721 . 2 1 1 A 62 62 ASP CB C 62 42.358 41.299 1.059 1
1 722 . 2 1 1 A 64 64 ILE H H 64 7.784 8.234 -0.450 1
1 723 . 2 1 1 A 64 64 ILE HA H 64 4.126 4.932 -0.806 1
1 733 . 2 1 1 A 64 64 ILE C C 64 177.456 174.461 2.995 1
1 734 . 2 1 1 A 64 64 ILE CA C 64 60.516 60.041 0.475 1
1 735 . 2 1 1 A 64 64 ILE CB C 64 39.990 42.041 -2.051 1
1 739 . 2 1 1 A 64 64 ILE N N 64 122.653 118.723 3.930 1
1 740 . 2 1 1 A 65 65 LEU H H 65 8.357 9.047 -0.690 1
1 741 . 2 1 1 A 65 65 LEU HA H 65 4.858 5.081 -0.223 1
1 751 . 2 1 1 A 65 65 LEU C C 65 176.625 174.828 1.797 1
1 752 . 2 1 1 A 65 65 LEU CA C 65 53.315 53.392 -0.077 1
1 753 . 2 1 1 A 65 65 LEU CB C 65 43.307 44.409 -1.102 1
1 757 . 2 1 1 A 65 65 LEU N N 65 128.311 129.165 -0.854 1
1 758 . 2 1 1 A 66 66 ASP H H 66 9.088 9.309 -0.221 1
1 759 . 2 1 1 A 66 66 ASP HA H 66 5.009 5.159 -0.150 1
1 762 . 2 1 1 A 66 66 ASP C C 66 177.504 175.267 2.237 1
1 763 . 2 1 1 A 66 66 ASP CA C 66 53.137 53.612 -0.475 1
1 764 . 2 1 1 A 66 66 ASP CB C 66 44.234 43.109 1.125 1
1 765 . 2 1 1 A 66 66 ASP N N 66 129.457 126.894 2.563 1
1 766 . 2 1 1 A 67 67 ILE H H 67 8.240 8.711 -0.471 1
1 767 . 2 1 1 A 67 67 ILE HA H 67 4.759 4.891 -0.132 1
1 777 . 2 1 1 A 67 67 ILE C C 67 175.569 175.637 -0.068 1
1 778 . 2 1 1 A 67 67 ILE CA C 67 59.640 60.141 -0.501 1
1 779 . 2 1 1 A 67 67 ILE CB C 67 39.948 40.494 -0.546 1
1 783 . 2 1 1 A 67 67 ILE N N 67 120.821 122.955 -2.134 1
1 784 . 2 1 1 A 68 68 VAL H H 68 9.310 9.137 0.173 1
1 785 . 2 1 1 A 68 68 VAL HA H 68 4.149 4.491 -0.342 1
1 793 . 2 1 1 A 68 68 VAL C C 68 176.697 174.890 1.807 1
1 794 . 2 1 1 A 68 68 VAL CA C 68 60.707 60.794 -0.087 1
1 795 . 2 1 1 A 68 68 VAL CB C 68 34.121 35.004 -0.883 1
1 798 . 2 1 1 A 68 68 VAL N N 68 130.182 126.674 3.508 1
1 799 . 2 1 1 A 69 69 ASP H H 69 8.577 8.785 -0.208 1
1 800 . 2 1 1 A 69 69 ASP HA H 69 4.847 4.954 -0.107 1
1 803 . 2 1 1 A 69 69 ASP C C 69 175.713 175.406 0.307 1
1 804 . 2 1 1 A 69 69 ASP CA C 69 54.357 54.238 0.119 1
1 805 . 2 1 1 A 69 69 ASP CB C 69 41.353 40.376 0.977 1
1 806 . 2 1 1 A 69 69 ASP N N 69 127.151 128.477 -1.326 1
1 807 . 2 1 1 A 70 70 GLU H H 70 7.857 8.753 -0.896 1
1 808 . 2 1 1 A 70 70 GLU HA H 70 4.563 4.403 0.160 1
1 813 . 2 1 1 A 70 70 GLU C C 70 176.179 176.545 -0.366 1
1 814 . 2 1 1 A 70 70 GLU CA C 70 56.333 56.729 -0.396 1
1 815 . 2 1 1 A 70 70 GLU CB C 70 31.503 30.378 1.125 1
1 817 . 2 1 1 A 70 70 GLU N N 70 123.503 123.974 -0.471 1
1 818 . 2 1 1 A 71 71 LYS H H 71 8.517 8.406 0.111 1
1 819 . 2 1 1 A 71 71 LYS HA H 71 4.261 4.484 -0.223 1
1 828 . 2 1 1 A 71 71 LYS C C 71 175.084 176.283 -1.199 1
1 829 . 2 1 1 A 71 71 LYS CA C 71 55.210 56.728 -1.518 1
1 830 . 2 1 1 A 71 71 LYS CB C 71 33.019 33.197 -0.178 1
1 834 . 2 1 1 A 71 71 LYS N N 71 124.197 123.071 1.126 1
1 835 . 2 1 1 A 72 72 VAL H H 72 8.612 8.795 -0.183 1
1 836 . 2 1 1 A 72 72 VAL HA H 72 4.277 5.265 -0.988 1
1 844 . 2 1 1 A 72 72 VAL C C 72 176.529 173.869 2.660 1
1 845 . 2 1 1 A 72 72 VAL CA C 72 63.133 58.828 4.305 1
1 846 . 2 1 1 A 72 72 VAL CB C 72 32.188 35.594 -3.406 1
1 849 . 2 1 1 A 72 72 VAL N N 72 119.616 118.862 0.754 1
1 850 . 2 1 1 A 73 73 GLU H H 73 7.750 8.259 -0.509 1
1 851 . 2 1 1 A 73 73 GLU HA H 73 4.469 4.679 -0.210 1
1 856 . 2 1 1 A 73 73 GLU C C 73 178.456 174.097 4.359 1
1 857 . 2 1 1 A 73 73 GLU CA C 73 55.241 55.191 0.050 1
1 858 . 2 1 1 A 73 73 GLU CB C 73 34.536 34.132 0.404 1
1 860 . 2 1 1 A 73 73 GLU N N 73 126.126 120.579 5.547 1
1 861 . 2 1 1 A 74 74 LEU H H 74 8.495 9.284 -0.789 1
1 862 . 2 1 1 A 74 74 LEU HA H 74 5.207 4.876 0.331 1
1 869 . 2 1 1 A 74 74 LEU C C 74 176.827 174.929 1.898 1
1 870 . 2 1 1 A 74 74 LEU CA C 74 52.600 53.544 -0.944 1
1 871 . 2 1 1 A 74 74 LEU CB C 74 45.404 41.856 3.548 1
1 874 . 2 1 1 A 74 74 LEU N N 74 123.821 127.273 -3.452 1
1 875 . 2 1 1 A 75 75 GLU H H 75 8.770 8.726 0.044 1
1 876 . 2 1 1 A 75 75 GLU HA H 75 5.127 4.370 0.757 1
1 881 . 2 1 1 A 75 75 GLU C C 75 176.617 176.277 0.340 1
1 882 . 2 1 1 A 75 75 GLU CA C 75 53.748 56.259 -2.511 1
1 883 . 2 1 1 A 75 75 GLU CB C 75 33.910 30.577 3.333 1
1 885 . 2 1 1 A 75 75 GLU N N 75 118.723 125.406 -6.683 1
1 886 . 2 1 1 A 76 76 CYS H H 76 9.354 8.272 1.082 1
1 887 . 2 1 1 A 76 76 CYS HA H 76 4.665 4.642 0.023 1
1 890 . 2 1 1 A 76 76 CYS C C 76 173.085 175.748 -2.663 1
1 891 . 2 1 1 A 76 76 CYS CA C 76 59.386 58.408 0.978 1
1 892 . 2 1 1 A 76 76 CYS CB C 76 32.476 29.235 3.241 1
1 893 . 2 1 1 A 76 76 CYS N N 76 128.378 124.579 3.799 1
1 894 . 2 1 1 A 77 77 LYS H H 77 9.328 8.793 0.535 1
1 895 . 2 1 1 A 77 77 LYS HA H 77 4.279 4.007 0.272 1
1 904 . 2 1 1 A 77 77 LYS C C 77 174.709 177.025 -2.316 1
1 905 . 2 1 1 A 77 77 LYS CA C 77 56.997 59.400 -2.403 1
1 906 . 2 1 1 A 77 77 LYS CB C 77 31.240 32.680 -1.440 1
1 910 . 2 1 1 A 77 77 LYS N N 77 129.264 126.601 2.663 1
1 911 . 2 1 1 A 78 78 ASP H H 78 9.182 8.147 1.035 1
1 912 . 2 1 1 A 78 78 ASP HA H 78 4.945 4.890 0.055 1
1 915 . 2 1 1 A 78 78 ASP C C 78 173.961 174.584 -0.623 1
1 916 . 2 1 1 A 78 78 ASP CA C 78 56.797 52.757 4.040 1
1 917 . 2 1 1 A 78 78 ASP CB C 78 42.214 41.225 0.989 1
1 918 . 2 1 1 A 78 78 ASP N N 78 122.206 117.134 5.072 1
1 919 . 2 1 1 A 79 79 CYS H H 79 9.871 7.991 1.880 1
1 920 . 2 1 1 A 79 79 CYS HA H 79 5.165 4.841 0.324 1
1 923 . 2 1 1 A 79 79 CYS C C 79 174.253 172.655 1.598 1
1 924 . 2 1 1 A 79 79 CYS CA C 79 59.123 57.837 1.286 1
1 925 . 2 1 1 A 79 79 CYS CB C 79 32.286 30.095 2.191 1
1 926 . 2 1 1 A 79 79 CYS N N 79 124.020 122.843 1.177 1
1 927 . 2 1 1 A 80 80 SER H H 80 7.667 8.652 -0.985 1
1 928 . 2 1 1 A 80 80 SER HA H 80 4.564 4.866 -0.302 1
1 931 . 2 1 1 A 80 80 SER C C 80 178.621 173.633 4.988 1
1 932 . 2 1 1 A 80 80 SER CA C 80 62.038 57.297 4.741 1
1 933 . 2 1 1 A 80 80 SER CB C 80 62.215 64.556 -2.341 1
1 934 . 2 1 1 A 80 80 SER N N 80 115.904 115.349 0.555 1
1 935 . 2 1 1 A 81 81 HIS H H 81 8.916 7.579 1.337 1
1 936 . 2 1 1 A 81 81 HIS HA H 81 4.649 5.021 -0.372 1
1 941 . 2 1 1 A 81 81 HIS C C 81 178.299 173.206 5.093 1
1 942 . 2 1 1 A 81 81 HIS CA C 81 58.348 55.130 3.218 1
1 943 . 2 1 1 A 81 81 HIS CB C 81 33.016 33.492 -0.476 1
1 946 . 2 1 1 A 81 81 HIS N N 81 125.397 120.573 4.824 1
1 949 . 2 1 1 A 82 82 VAL H H 82 7.058 8.147 -1.089 1
1 950 . 2 1 1 A 82 82 VAL HA H 82 5.212 4.848 0.364 1
1 958 . 2 1 1 A 82 82 VAL C C 82 176.161 173.790 2.371 1
1 959 . 2 1 1 A 82 82 VAL CA C 82 60.567 59.352 1.215 1
1 960 . 2 1 1 A 82 82 VAL CB C 82 34.355 35.830 -1.475 1
1 963 . 2 1 1 A 82 82 VAL N N 82 125.314 119.484 5.830 1
1 964 . 2 1 1 A 83 83 PHE H H 83 8.883 8.543 0.340 1
1 965 . 2 1 1 A 83 83 PHE HA H 83 4.842 5.319 -0.477 1
1 972 . 2 1 1 A 83 83 PHE C C 83 179.687 172.423 7.264 1
1 973 . 2 1 1 A 83 83 PHE CA C 83 55.495 55.407 0.088 1
1 974 . 2 1 1 A 83 83 PHE CB C 83 40.651 41.833 -1.182 1
1 978 . 2 1 1 A 83 83 PHE N N 83 122.377 118.865 3.512 1
1 979 . 2 1 1 A 84 84 LYS H H 84 8.658 8.854 -0.196 1
1 980 . 2 1 1 A 84 84 LYS HA H 84 5.001 4.755 0.246 1
1 989 . 2 1 1 A 84 84 LYS C C 84 176.705 174.261 2.444 1
1 990 . 2 1 1 A 84 84 LYS CA C 84 52.738 52.952 -0.214 1
1 991 . 2 1 1 A 84 84 LYS CB C 84 32.660 34.365 -1.705 1
1 995 . 2 1 1 A 84 84 LYS N N 84 121.116 119.293 1.823 1
1 996 . 2 1 1 A 85 85 PRO HA H 85 4.663 4.729 -0.066 1
1 1003 . 2 1 1 A 85 85 PRO C C 85 174.722 176.189 -1.467 1
1 1004 . 2 1 1 A 85 85 PRO CA C 85 62.633 62.924 -0.291 1
1 1005 . 2 1 1 A 85 85 PRO CB C 85 32.712 31.983 0.729 1
1 1008 . 2 1 1 A 86 86 ASN H H 86 8.983 9.019 -0.036 1
1 1009 . 2 1 1 A 86 86 ASN HA H 86 4.704 4.979 -0.275 1
1 1014 . 2 1 1 A 86 86 ASN C C 86 176.576 174.945 1.631 1
1 1015 . 2 1 1 A 86 86 ASN CA C 86 53.552 54.744 -1.192 1
1 1016 . 2 1 1 A 86 86 ASN CB C 86 39.208 40.812 -1.604 1
1 1017 . 2 1 1 A 86 86 ASN N N 86 119.549 120.455 -0.906 1
1 1019 . 2 1 1 A 87 87 ALA H H 87 8.122 7.712 0.410 1
1 1020 . 2 1 1 A 87 87 ALA HA H 87 4.369 4.032 0.337 1
1 1024 . 2 1 1 A 87 87 ALA C C 87 174.154 176.955 -2.801 1
1 1025 . 2 1 1 A 87 87 ALA CA C 87 52.560 52.344 0.216 1
1 1026 . 2 1 1 A 87 87 ALA CB C 87 19.660 19.343 0.317 1
1 1027 . 2 1 1 A 87 87 ALA N N 87 122.483 120.938 1.545 1
1 1028 . 2 1 1 A 88 88 LEU H H 88 8.195 8.148 0.047 1
1 1029 . 2 1 1 A 88 88 LEU HA H 88 4.192 4.364 -0.172 1
1 1039 . 2 1 1 A 88 88 LEU C C 88 174.871 177.576 -2.705 1
1 1040 . 2 1 1 A 88 88 LEU CA C 88 55.691 55.373 0.318 1
1 1041 . 2 1 1 A 88 88 LEU CB C 88 41.708 42.911 -1.203 1
1 1045 . 2 1 1 A 88 88 LEU N N 88 118.730 116.940 1.790 1
1 1046 . 2 1 1 A 89 89 ASP H H 89 7.902 8.187 -0.285 1
1 1047 . 2 1 1 A 89 89 ASP HA H 89 4.601 4.425 0.176 1
1 1050 . 2 1 1 A 89 89 ASP C C 89 175.940 176.605 -0.665 1
1 1051 . 2 1 1 A 89 89 ASP CA C 89 53.641 56.650 -3.009 1
1 1052 . 2 1 1 A 89 89 ASP CB C 89 40.953 40.724 0.229 1
1 1053 . 2 1 1 A 89 89 ASP N N 89 118.577 120.616 -2.039 1
1 1054 . 2 1 1 A 90 90 TYR H H 90 7.922 7.334 0.588 1
1 1055 . 2 1 1 A 90 90 TYR HA H 90 4.551 4.746 -0.195 1
1 1062 . 2 1 1 A 90 90 TYR C C 90 175.338 176.517 -1.179 1
1 1063 . 2 1 1 A 90 90 TYR CA C 90 57.505 57.258 0.247 1
1 1064 . 2 1 1 A 90 90 TYR CB C 90 38.147 39.146 -0.999 1
1 1067 . 2 1 1 A 90 90 TYR N N 90 121.632 113.165 8.467 1
1 1068 . 2 1 1 A 91 91 GLY H H 91 8.313 7.913 0.400 1
1 1069 . 2 1 1 A 91 91 GLY HA2 H 91 3.966 3.731 0.235 1
1 1070 . 2 1 1 A 91 91 GLY HA3 H 91 3.784 3.837 -0.053 1
1 1071 . 2 1 1 A 91 91 GLY C C 91 178.622 174.186 4.436 1
1 1072 . 2 1 1 A 91 91 GLY CA C 91 45.916 45.209 0.707 1
1 1073 . 2 1 1 A 91 91 GLY N N 91 108.097 109.325 -1.228 1
1 1074 . 2 1 1 A 92 92 VAL H H 92 7.078 7.573 -0.495 1
1 1075 . 2 1 1 A 92 92 VAL HA H 92 4.810 4.192 0.618 1
1 1083 . 2 1 1 A 92 92 VAL C C 92 176.954 175.684 1.270 1
1 1084 . 2 1 1 A 92 92 VAL CA C 92 59.083 61.664 -2.581 1
1 1085 . 2 1 1 A 92 92 VAL CB C 92 35.602 33.214 2.388 1
1 1088 . 2 1 1 A 92 92 VAL N N 92 113.901 117.365 -3.464 1
1 1089 . 2 1 1 A 93 93 CYS H H 93 9.086 8.463 0.623 1
1 1090 . 2 1 1 A 93 93 CYS HA H 93 4.118 4.552 -0.434 1
1 1093 . 2 1 1 A 93 93 CYS C C 93 173.477 176.140 -2.663 1
1 1094 . 2 1 1 A 93 93 CYS CA C 93 60.511 60.072 0.439 1
1 1095 . 2 1 1 A 93 93 CYS CB C 93 31.124 28.755 2.369 1
1 1096 . 2 1 1 A 93 93 CYS N N 93 126.248 122.235 4.013 1
1 1097 . 2 1 1 A 94 94 GLU H H 94 5.667 8.848 -3.181 1
1 1098 . 2 1 1 A 94 94 GLU HA H 94 4.073 3.931 0.142 1
1 1103 . 2 1 1 A 94 94 GLU C C 94 176.973 178.395 -1.422 1
1 1104 . 2 1 1 A 94 94 GLU CA C 94 57.434 59.580 -2.146 1
1 1105 . 2 1 1 A 94 94 GLU CB C 94 28.813 29.261 -0.448 1
1 1107 . 2 1 1 A 94 94 GLU N N 94 126.541 127.492 -0.951 1
1 1108 . 2 1 1 A 95 95 LYS H H 95 9.002 7.179 1.823 1
1 1109 . 2 1 1 A 95 95 LYS HA H 95 4.076 4.159 -0.083 1
1 1118 . 2 1 1 A 95 95 LYS C C 95 174.890 177.101 -2.211 1
1 1119 . 2 1 1 A 95 95 LYS CA C 95 57.782 58.953 -1.171 1
1 1120 . 2 1 1 A 95 95 LYS CB C 95 34.056 32.831 1.225 1
1 1124 . 2 1 1 A 95 95 LYS N N 95 123.753 119.148 4.605 1
1 1125 . 2 1 1 A 96 96 CYS H H 96 9.063 7.693 1.370 1
1 1126 . 2 1 1 A 96 96 CYS HA H 96 4.755 4.886 -0.131 1
1 1129 . 2 1 1 A 96 96 CYS C C 96 174.775 174.057 0.718 1
1 1130 . 2 1 1 A 96 96 CYS CA C 96 58.756 57.388 1.368 1
1 1131 . 2 1 1 A 96 96 CYS CB C 96 32.066 29.216 2.850 1
1 1132 . 2 1 1 A 96 96 CYS N N 96 120.699 115.226 5.473 1
1 1133 . 2 1 1 A 97 97 HIS H H 97 7.541 8.898 -1.357 1
1 1134 . 2 1 1 A 97 97 HIS HA H 97 4.474 4.495 -0.021 1
1 1139 . 2 1 1 A 97 97 HIS C C 97 178.193 174.274 3.919 1
1 1140 . 2 1 1 A 97 97 HIS CA C 97 57.481 55.706 1.775 1
1 1141 . 2 1 1 A 97 97 HIS CB C 97 27.126 28.898 -1.772 1
1 1144 . 2 1 1 A 97 97 HIS N N 97 116.676 121.923 -5.247 1
1 1147 . 2 1 1 A 98 98 SER H H 98 8.775 8.226 0.549 1
1 1148 . 2 1 1 A 98 98 SER HA H 98 4.322 4.905 -0.583 1
1 1151 . 2 1 1 A 98 98 SER C C 98 176.432 173.475 2.957 1
1 1152 . 2 1 1 A 98 98 SER CA C 98 58.923 57.548 1.375 1
1 1153 . 2 1 1 A 98 98 SER CB C 98 64.790 67.088 -2.298 1
1 1154 . 2 1 1 A 98 98 SER N N 98 116.989 114.931 2.058 1
1 1155 . 2 1 1 A 99 99 LYS H H 99 8.567 8.773 -0.206 1
1 1156 . 2 1 1 A 99 99 LYS HA H 99 4.935 4.633 0.302 1
1 1165 . 2 1 1 A 99 99 LYS C C 99 173.648 177.159 -3.511 1
1 1166 . 2 1 1 A 99 99 LYS CA C 99 56.417 56.322 0.095 1
1 1167 . 2 1 1 A 99 99 LYS CB C 99 32.366 32.129 0.237 1
1 1171 . 2 1 1 A 99 99 LYS N N 99 122.510 123.438 -0.928 1
1 1172 . 2 1 1 A 100 100 ASN H H 100 9.426 8.355 1.071 1
1 1173 . 2 1 1 A 100 100 ASN HA H 100 4.916 4.554 0.362 1
1 1178 . 2 1 1 A 100 100 ASN C C 100 178.498 175.503 2.995 1
1 1179 . 2 1 1 A 100 100 ASN CA C 100 51.999 54.003 -2.004 1
1 1180 . 2 1 1 A 100 100 ASN CB C 100 36.539 37.596 -1.057 1
1 1181 . 2 1 1 A 100 100 ASN N N 100 124.489 117.568 6.921 1
1 1183 . 2 1 1 A 101 101 VAL H H 101 7.627 7.461 0.166 1
1 1184 . 2 1 1 A 101 101 VAL HA H 101 5.329 4.113 1.216 1
1 1192 . 2 1 1 A 101 101 VAL C C 101 175.484 175.800 -0.316 1
1 1193 . 2 1 1 A 101 101 VAL CA C 101 58.253 61.890 -3.637 1
1 1194 . 2 1 1 A 101 101 VAL CB C 101 34.692 32.400 2.292 1
1 1197 . 2 1 1 A 101 101 VAL N N 101 112.585 119.360 -6.775 1
1 1198 . 2 1 1 A 102 102 ILE H H 102 9.032 8.858 0.174 1
1 1199 . 2 1 1 A 102 102 ILE HA H 102 4.671 4.778 -0.107 1
1 1209 . 2 1 1 A 102 102 ILE C C 102 177.283 174.445 2.838 1
1 1210 . 2 1 1 A 102 102 ILE CA C 102 58.979 58.633 0.346 1
1 1211 . 2 1 1 A 102 102 ILE CB C 102 41.970 41.882 0.088 1
1 1215 . 2 1 1 A 102 102 ILE N N 102 119.819 117.933 1.886 1
1 1216 . 2 1 1 A 103 103 ILE H H 103 8.364 8.923 -0.559 1
1 1217 . 2 1 1 A 103 103 ILE HA H 103 4.527 4.281 0.246 1
1 1227 . 2 1 1 A 103 103 ILE C C 103 174.186 176.431 -2.245 1
1 1228 . 2 1 1 A 103 103 ILE CA C 103 61.366 61.195 0.171 1
1 1229 . 2 1 1 A 103 103 ILE CB C 103 38.577 36.985 1.592 1
1 1233 . 2 1 1 A 103 103 ILE N N 103 123.325 124.986 -1.661 1
1 1234 . 2 1 1 A 104 104 THR H H 104 8.796 8.839 -0.043 1
1 1235 . 2 1 1 A 104 104 THR HA H 104 4.260 4.420 -0.160 1
1 1240 . 2 1 1 A 104 104 THR C C 104 176.317 173.977 2.340 1
1 1241 . 2 1 1 A 104 104 THR CA C 104 62.708 63.217 -0.509 1
1 1242 . 2 1 1 A 104 104 THR CB C 104 68.431 69.646 -1.215 1
1 1244 . 2 1 1 A 104 104 THR N N 104 120.825 123.060 -2.235 1
1 1245 . 2 1 1 A 105 105 GLN H H 105 7.705 7.755 -0.050 1
1 1246 . 2 1 1 A 105 105 GLN HA H 105 4.482 4.481 0.001 1
1 1253 . 2 1 1 A 105 105 GLN C C 105 177.316 175.205 2.111 1
1 1254 . 2 1 1 A 105 105 GLN CA C 105 55.621 55.514 0.107 1
1 1255 . 2 1 1 A 105 105 GLN CB C 105 31.897 31.486 0.411 1
1 1257 . 2 1 1 A 105 105 GLN N N 105 118.599 120.278 -1.679 1
1 1259 . 2 1 1 A 106 106 GLY H H 106 9.091 8.880 0.211 1
1 1260 . 2 1 1 A 106 106 GLY HA2 H 106 3.472 3.950 -0.478 1
1 1261 . 2 1 1 A 106 106 GLY HA3 H 106 4.255 3.953 0.302 1
1 1262 . 2 1 1 A 106 106 GLY C C 106 178.226 175.233 2.993 1
1 1263 . 2 1 1 A 106 106 GLY CA C 106 45.497 46.219 -0.722 1
1 1264 . 2 1 1 A 106 106 GLY N N 106 106.938 115.067 -8.129 1
1 1265 . 2 1 1 A 107 107 ASN H H 107 8.542 7.949 0.593 1
1 1266 . 2 1 1 A 107 107 ASN HA H 107 4.670 4.400 0.270 1
1 1271 . 2 1 1 A 107 107 ASN C C 107 176.917 175.069 1.848 1
1 1272 . 2 1 1 A 107 107 ASN CA C 107 52.697 55.619 -2.922 1
1 1273 . 2 1 1 A 107 107 ASN CB C 107 39.745 39.249 0.496 1
1 1274 . 2 1 1 A 107 107 ASN N N 107 117.838 120.014 -2.176 1
1 1276 . 2 1 1 A 108 108 GLU H H 108 8.050 7.615 0.435 1
1 1277 . 2 1 1 A 108 108 GLU HA H 108 4.638 4.547 0.091 1
1 1282 . 2 1 1 A 108 108 GLU C C 108 176.463 175.408 1.055 1
1 1283 . 2 1 1 A 108 108 GLU CA C 108 55.693 54.959 0.734 1
1 1284 . 2 1 1 A 108 108 GLU CB C 108 32.643 32.150 0.493 1
1 1286 . 2 1 1 A 108 108 GLU N N 108 118.542 114.893 3.649 1
1 1287 . 2 1 1 A 109 109 MET H H 109 8.431 8.476 -0.045 1
1 1288 . 2 1 1 A 109 109 MET HA H 109 5.236 4.646 0.590 1
1 1296 . 2 1 1 A 109 109 MET C C 109 176.443 175.427 1.016 1
1 1297 . 2 1 1 A 109 109 MET CA C 109 54.801 54.964 -0.163 1
1 1298 . 2 1 1 A 109 109 MET CB C 109 33.115 33.830 -0.715 1
1 1301 . 2 1 1 A 109 109 MET N N 109 121.401 118.850 2.551 1
1 1302 . 2 1 1 A 110 110 ARG H H 110 9.166 8.935 0.231 1
1 1303 . 2 1 1 A 110 110 ARG HA H 110 4.771 5.041 -0.270 1
1 1311 . 2 1 1 A 110 110 ARG C C 110 177.215 174.869 2.346 1
1 1312 . 2 1 1 A 110 110 ARG CA C 110 54.826 54.270 0.556 1
1 1313 . 2 1 1 A 110 110 ARG CB C 110 33.474 33.803 -0.329 1
1 1316 . 2 1 1 A 110 110 ARG N N 110 123.271 118.106 5.165 1
1 1318 . 2 1 1 A 111 111 LEU H H 111 8.874 8.464 0.410 1
1 1319 . 2 1 1 A 111 111 LEU HA H 111 4.335 4.462 -0.127 1
1 1329 . 2 1 1 A 111 111 LEU C C 111 175.976 176.783 -0.807 1
1 1330 . 2 1 1 A 111 111 LEU CA C 111 55.633 54.252 1.381 1
1 1331 . 2 1 1 A 111 111 LEU CB C 111 42.413 43.371 -0.958 1
1 1335 . 2 1 1 A 111 111 LEU N N 111 125.212 118.888 6.324 1
1 1336 . 2 1 1 A 112 112 LEU HA H 112 4.432 4.455 -0.023 1
1 1346 . 2 1 1 A 112 112 LEU C C 112 173.898 176.476 -2.578 1
1 1347 . 2 1 1 A 112 112 LEU CA C 112 56.230 55.923 0.307 1
1 1348 . 2 1 1 A 112 112 LEU CB C 112 42.688 43.070 -0.382 1
1 1352 . 2 1 1 A 113 113 SER H H 113 7.895 7.195 0.700 1
1 1353 . 2 1 1 A 113 113 SER HA H 113 4.509 4.655 -0.146 1
1 1356 . 2 1 1 A 113 113 SER C C 113 180.240 172.086 8.154 1
1 1357 . 2 1 1 A 113 113 SER CA C 113 58.129 57.136 0.993 1
1 1358 . 2 1 1 A 113 113 SER CB C 113 64.473 64.779 -0.306 1
1 1359 . 2 1 1 A 113 113 SER N N 113 110.894 109.370 1.524 1
1 1360 . 2 1 1 A 114 114 LEU H H 114 8.151 8.307 -0.156 1
1 1361 . 2 1 1 A 114 114 LEU HA H 114 5.086 5.140 -0.054 1
1 1371 . 2 1 1 A 114 114 LEU C C 114 175.777 175.208 0.569 1
1 1372 . 2 1 1 A 114 114 LEU CA C 114 53.830 53.705 0.125 1
1 1373 . 2 1 1 A 114 114 LEU CB C 114 46.471 46.738 -0.267 1
1 1377 . 2 1 1 A 114 114 LEU N N 114 120.671 122.607 -1.936 1
1 1378 . 2 1 1 A 115 115 GLU H H 115 8.666 8.929 -0.263 1
1 1379 . 2 1 1 A 115 115 GLU HA H 115 4.823 5.017 -0.194 1
1 1384 . 2 1 1 A 115 115 GLU C C 115 175.727 174.615 1.112 1
1 1385 . 2 1 1 A 115 115 GLU CA C 115 55.127 55.075 0.052 1
1 1386 . 2 1 1 A 115 115 GLU CB C 115 31.063 33.623 -2.560 1
1 1388 . 2 1 1 A 115 115 GLU N N 115 122.105 121.639 0.466 1
1 1389 . 2 1 1 A 116 116 MET H H 116 9.159 9.099 0.060 1
1 1390 . 2 1 1 A 116 116 MET HA H 116 4.989 5.075 -0.086 1
1 1398 . 2 1 1 A 116 116 MET C C 116 177.447 175.059 2.388 1
1 1399 . 2 1 1 A 116 116 MET CA C 116 54.669 54.269 0.400 1
1 1400 . 2 1 1 A 116 116 MET CB C 116 36.107 37.128 -1.021 1
1 1403 . 2 1 1 A 116 116 MET N N 116 123.947 122.996 0.951 1
1 1404 . 2 1 1 A 117 117 LEU H H 117 8.573 8.568 0.005 1
1 1405 . 2 1 1 A 117 117 LEU HA H 117 4.670 4.332 0.338 1
1 1412 . 2 1 1 A 117 117 LEU C C 117 175.990 176.633 -0.643 1
1 1413 . 2 1 1 A 117 117 LEU CA C 117 54.549 53.825 0.724 1
1 1414 . 2 1 1 A 117 117 LEU CB C 117 44.045 40.320 3.725 1
1 1417 . 2 1 1 A 117 117 LEU N N 117 122.478 123.124 -0.646 1
1 1418 . 2 1 1 A 118 118 ALA H H 118 8.714 8.471 0.243 1
1 1419 . 2 1 1 A 118 118 ALA HA H 118 4.604 4.111 0.493 1
1 1423 . 2 1 1 A 118 118 ALA C C 118 175.279 179.664 -4.385 1
1 1424 . 2 1 1 A 118 118 ALA CA C 118 52.155 55.370 -3.215 1
1 1425 . 2 1 1 A 118 118 ALA CB C 118 20.444 18.467 1.977 1
1 1426 . 2 1 1 A 118 118 ALA N N 118 127.701 128.559 -0.858 1
1 4 . 3 1 1 A 2 2 SER HA H 2 4.544 5.112 -0.568 1
1 7 . 3 1 1 A 2 2 SER CA C 2 58.424 57.015 1.409 1
1 8 . 3 1 1 A 2 2 SER CB C 2 64.017 65.120 -1.103 1
1 13 . 3 1 1 A 4 4 HIS HA H 4 4.504 4.197 0.307 1
1 17 . 3 1 1 A 4 4 HIS C C 4 175.043 176.531 -1.488 1
1 18 . 3 1 1 A 4 4 HIS CA C 4 58.574 58.673 -0.099 1
1 19 . 3 1 1 A 4 4 HIS CB C 4 30.859 30.262 0.597 1
1 20 . 3 1 1 A 5 5 GLU H H 5 10.002 8.257 1.745 1
1 21 . 3 1 1 A 5 5 GLU HA H 5 3.831 4.305 -0.474 1
1 26 . 3 1 1 A 5 5 GLU C C 5 173.758 177.757 -3.999 1
1 27 . 3 1 1 A 5 5 GLU CA C 5 61.822 57.691 4.131 1
1 28 . 3 1 1 A 5 5 GLU CB C 5 28.884 30.728 -1.844 1
1 30 . 3 1 1 A 5 5 GLU N N 5 120.850 116.555 4.295 1
1 31 . 3 1 1 A 6 6 TYR H H 6 8.163 7.998 0.165 1
1 32 . 3 1 1 A 6 6 TYR HA H 6 4.066 4.475 -0.409 1
1 39 . 3 1 1 A 6 6 TYR C C 6 173.754 177.492 -3.738 1
1 40 . 3 1 1 A 6 6 TYR CA C 6 61.029 60.415 0.614 1
1 41 . 3 1 1 A 6 6 TYR CB C 6 37.391 37.014 0.377 1
1 44 . 3 1 1 A 6 6 TYR N N 6 117.171 119.012 -1.841 1
1 45 . 3 1 1 A 7 7 SER H H 7 7.929 8.059 -0.130 1
1 46 . 3 1 1 A 7 7 SER HA H 7 4.265 4.204 0.061 1
1 49 . 3 1 1 A 7 7 SER C C 7 174.434 177.140 -2.706 1
1 50 . 3 1 1 A 7 7 SER CA C 7 61.471 61.365 0.106 1
1 51 . 3 1 1 A 7 7 SER CB C 7 62.686 62.281 0.405 1
1 52 . 3 1 1 A 7 7 SER N N 7 116.417 116.166 0.251 1
1 53 . 3 1 1 A 8 8 VAL H H 8 8.088 7.931 0.157 1
1 54 . 3 1 1 A 8 8 VAL HA H 8 3.795 3.703 0.092 1
1 62 . 3 1 1 A 8 8 VAL C C 8 172.652 178.511 -5.859 1
1 63 . 3 1 1 A 8 8 VAL CA C 8 66.036 66.888 -0.852 1
1 64 . 3 1 1 A 8 8 VAL CB C 8 31.811 31.739 0.072 1
1 67 . 3 1 1 A 8 8 VAL N N 8 122.514 121.739 0.775 1
1 68 . 3 1 1 A 9 9 VAL H H 9 8.255 8.311 -0.056 1
1 69 . 3 1 1 A 9 9 VAL HA H 9 3.539 3.610 -0.071 1
1 77 . 3 1 1 A 9 9 VAL C C 9 174.142 178.032 -3.890 1
1 78 . 3 1 1 A 9 9 VAL CA C 9 67.201 67.024 0.177 1
1 79 . 3 1 1 A 9 9 VAL CB C 9 30.859 31.525 -0.666 1
1 82 . 3 1 1 A 9 9 VAL N N 9 120.829 120.515 0.314 1
1 83 . 3 1 1 A 10 10 SER H H 10 8.179 8.213 -0.034 1
1 84 . 3 1 1 A 10 10 SER HA H 10 3.726 3.861 -0.135 1
1 87 . 3 1 1 A 10 10 SER C C 10 173.669 177.106 -3.437 1
1 88 . 3 1 1 A 10 10 SER CA C 10 62.397 61.473 0.924 1
1 89 . 3 1 1 A 10 10 SER CB C 10 62.470 62.668 -0.198 1
1 90 . 3 1 1 A 10 10 SER N N 10 115.937 115.124 0.813 1
1 91 . 3 1 1 A 11 11 SER H H 11 7.860 7.719 0.141 1
1 92 . 3 1 1 A 11 11 SER HA H 11 4.312 4.175 0.137 1
1 95 . 3 1 1 A 11 11 SER C C 11 174.888 177.454 -2.566 1
1 96 . 3 1 1 A 11 11 SER CA C 11 61.863 61.513 0.350 1
1 97 . 3 1 1 A 11 11 SER CB C 11 62.638 63.011 -0.373 1
1 98 . 3 1 1 A 11 11 SER N N 11 117.940 115.562 2.378 1
1 99 . 3 1 1 A 12 12 LEU H H 12 8.197 8.413 -0.216 1
1 100 . 3 1 1 A 12 12 LEU HA H 12 4.331 4.011 0.320 1
1 110 . 3 1 1 A 12 12 LEU C C 12 172.791 179.106 -6.315 1
1 111 . 3 1 1 A 12 12 LEU CA C 12 58.035 58.490 -0.455 1
1 112 . 3 1 1 A 12 12 LEU CB C 12 42.062 42.503 -0.441 1
1 116 . 3 1 1 A 12 12 LEU N N 12 125.411 122.200 3.211 1
1 117 . 3 1 1 A 13 13 ILE H H 13 8.689 8.101 0.588 1
1 118 . 3 1 1 A 13 13 ILE HA H 13 3.654 3.638 0.016 1
1 128 . 3 1 1 A 13 13 ILE C C 13 173.945 177.863 -3.918 1
1 129 . 3 1 1 A 13 13 ILE CA C 13 65.287 65.901 -0.614 1
1 130 . 3 1 1 A 13 13 ILE CB C 13 36.843 37.555 -0.712 1
1 134 . 3 1 1 A 13 13 ILE N N 13 121.352 119.264 2.088 1
1 135 . 3 1 1 A 14 14 ALA H H 14 7.692 8.367 -0.675 1
1 136 . 3 1 1 A 14 14 ALA HA H 14 4.218 4.115 0.103 1
1 140 . 3 1 1 A 14 14 ALA C C 14 170.805 179.848 -9.043 1
1 141 . 3 1 1 A 14 14 ALA CA C 14 55.484 55.310 0.174 1
1 142 . 3 1 1 A 14 14 ALA CB C 14 17.698 18.150 -0.452 1
1 143 . 3 1 1 A 14 14 ALA N N 14 121.374 122.634 -1.260 1
1 144 . 3 1 1 A 15 15 LEU H H 15 8.040 8.273 -0.233 1
1 145 . 3 1 1 A 15 15 LEU HA H 15 4.253 4.006 0.247 1
1 152 . 3 1 1 A 15 15 LEU C C 15 171.818 178.476 -6.658 1
1 153 . 3 1 1 A 15 15 LEU CA C 15 58.208 57.687 0.521 1
1 154 . 3 1 1 A 15 15 LEU CB C 15 42.286 41.470 0.816 1
1 157 . 3 1 1 A 15 15 LEU N N 15 121.328 119.218 2.110 1
1 158 . 3 1 1 A 16 16 CYS H H 16 8.587 8.587 0.000 1
1 159 . 3 1 1 A 16 16 CYS HA H 16 3.954 4.140 -0.186 1
1 162 . 3 1 1 A 16 16 CYS C C 16 174.494 176.537 -2.043 1
1 163 . 3 1 1 A 16 16 CYS CA C 16 64.933 63.046 1.887 1
1 164 . 3 1 1 A 16 16 CYS CB C 16 26.960 26.353 0.607 1
1 165 . 3 1 1 A 16 16 CYS N N 16 118.908 118.314 0.594 1
1 166 . 3 1 1 A 17 17 GLU H H 17 8.576 8.441 0.135 1
1 167 . 3 1 1 A 17 17 GLU HA H 17 3.806 3.988 -0.182 1
1 172 . 3 1 1 A 17 17 GLU C C 17 172.225 178.734 -6.509 1
1 173 . 3 1 1 A 17 17 GLU CA C 17 60.306 59.823 0.483 1
1 174 . 3 1 1 A 17 17 GLU CB C 17 29.130 29.141 -0.011 1
1 176 . 3 1 1 A 17 17 GLU N N 17 118.419 120.689 -2.270 1
1 177 . 3 1 1 A 18 18 GLU H H 18 8.156 8.324 -0.168 1
1 178 . 3 1 1 A 18 18 GLU HA H 18 4.115 4.015 0.100 1
1 183 . 3 1 1 A 18 18 GLU C C 18 172.241 179.328 -7.087 1
1 184 . 3 1 1 A 18 18 GLU CA C 18 59.507 59.445 0.062 1
1 185 . 3 1 1 A 18 18 GLU CB C 18 29.335 29.427 -0.092 1
1 187 . 3 1 1 A 18 18 GLU N N 18 121.603 119.488 2.115 1
1 188 . 3 1 1 A 19 19 HIS H H 19 8.379 8.101 0.278 1
1 189 . 3 1 1 A 19 19 HIS HA H 19 4.174 4.392 -0.218 1
1 194 . 3 1 1 A 19 19 HIS C C 19 172.511 177.706 -5.195 1
1 195 . 3 1 1 A 19 19 HIS CA C 19 60.525 59.434 1.091 1
1 196 . 3 1 1 A 19 19 HIS CB C 19 31.354 29.952 1.402 1
1 198 . 3 1 1 A 19 19 HIS N N 19 119.634 119.056 0.578 1
1 201 . 3 1 1 A 20 20 ALA H H 20 8.568 8.229 0.339 1
1 202 . 3 1 1 A 20 20 ALA HA H 20 4.143 3.853 0.290 1
1 206 . 3 1 1 A 20 20 ALA C C 20 172.155 179.094 -6.939 1
1 207 . 3 1 1 A 20 20 ALA CA C 20 55.716 55.348 0.368 1
1 208 . 3 1 1 A 20 20 ALA CB C 20 17.682 18.203 -0.521 1
1 209 . 3 1 1 A 20 20 ALA N N 20 122.453 121.967 0.486 1
1 210 . 3 1 1 A 21 21 LYS H H 21 8.055 7.895 0.160 1
1 211 . 3 1 1 A 21 21 LYS HA H 21 4.128 3.755 0.373 1
1 220 . 3 1 1 A 21 21 LYS C C 21 170.753 178.763 -8.010 1
1 221 . 3 1 1 A 21 21 LYS CA C 21 59.469 59.130 0.339 1
1 222 . 3 1 1 A 21 21 LYS CB C 21 32.369 31.875 0.494 1
1 226 . 3 1 1 A 21 21 LYS N N 21 118.604 116.294 2.310 1
1 227 . 3 1 1 A 22 22 LYS H H 22 8.092 7.578 0.514 1
1 228 . 3 1 1 A 22 22 LYS HA H 22 4.100 4.033 0.067 1
1 237 . 3 1 1 A 22 22 LYS C C 22 174.300 178.182 -3.882 1
1 238 . 3 1 1 A 22 22 LYS CA C 22 58.920 59.541 -0.621 1
1 239 . 3 1 1 A 22 22 LYS CB C 22 32.406 32.451 -0.045 1
1 243 . 3 1 1 A 22 22 LYS N N 22 119.468 119.704 -0.236 1
1 244 . 3 1 1 A 23 23 ASN H H 23 7.461 7.955 -0.494 1
1 245 . 3 1 1 A 23 23 ASN HA H 23 4.710 4.791 -0.081 1
1 248 . 3 1 1 A 23 23 ASN C C 23 178.526 174.756 3.770 1
1 249 . 3 1 1 A 23 23 ASN CA C 23 53.514 53.329 0.185 1
1 250 . 3 1 1 A 23 23 ASN CB C 23 40.124 38.836 1.288 1
1 251 . 3 1 1 A 23 23 ASN N N 23 115.166 116.803 -1.637 1
1 252 . 3 1 1 A 24 24 GLN H H 24 7.879 7.851 0.028 1
1 253 . 3 1 1 A 24 24 GLN HA H 24 3.927 3.756 0.171 1
1 260 . 3 1 1 A 24 24 GLN C C 24 177.284 175.363 1.921 1
1 261 . 3 1 1 A 24 24 GLN CA C 24 57.083 56.729 0.354 1
1 262 . 3 1 1 A 24 24 GLN CB C 24 26.400 26.024 0.376 1
1 264 . 3 1 1 A 24 24 GLN N N 24 116.046 116.399 -0.353 1
1 266 . 3 1 1 A 25 25 ALA H H 25 8.491 8.159 0.332 1
1 267 . 3 1 1 A 25 25 ALA HA H 25 4.600 4.217 0.383 1
1 271 . 3 1 1 A 25 25 ALA C C 25 174.729 178.120 -3.391 1
1 272 . 3 1 1 A 25 25 ALA CA C 25 51.416 54.379 -2.963 1
1 273 . 3 1 1 A 25 25 ALA CB C 25 21.350 19.481 1.869 1
1 274 . 3 1 1 A 25 25 ALA N N 25 120.372 120.591 -0.219 1
1 275 . 3 1 1 A 26 26 HIS H H 26 8.476 7.380 1.096 1
1 276 . 3 1 1 A 26 26 HIS HA H 26 4.736 4.211 0.525 1
1 280 . 3 1 1 A 26 26 HIS C C 26 176.751 173.985 2.766 1
1 281 . 3 1 1 A 26 26 HIS CA C 26 56.211 57.455 -1.244 1
1 282 . 3 1 1 A 26 26 HIS CB C 26 31.838 27.250 4.588 1
1 284 . 3 1 1 A 26 26 HIS N N 26 117.648 112.264 5.384 1
1 285 . 3 1 1 A 27 27 LYS H H 27 7.540 7.683 -0.143 1
1 286 . 3 1 1 A 27 27 LYS HA H 27 4.766 4.880 -0.114 1
1 295 . 3 1 1 A 27 27 LYS C C 27 176.918 174.728 2.190 1
1 296 . 3 1 1 A 27 27 LYS CA C 27 55.877 54.906 0.971 1
1 297 . 3 1 1 A 27 27 LYS CB C 27 36.796 36.889 -0.093 1
1 301 . 3 1 1 A 27 27 LYS N N 27 116.451 118.486 -2.035 1
1 302 . 3 1 1 A 28 28 ILE H H 28 8.320 8.367 -0.047 1
1 303 . 3 1 1 A 28 28 ILE HA H 28 4.319 4.833 -0.514 1
1 310 . 3 1 1 A 28 28 ILE C C 28 176.921 175.890 1.031 1
1 311 . 3 1 1 A 28 28 ILE CA C 28 60.552 59.658 0.894 1
1 312 . 3 1 1 A 28 28 ILE CB C 28 38.843 40.948 -2.105 1
1 313 . 3 1 1 A 28 28 ILE N N 28 123.140 121.931 1.209 1
1 314 . 3 1 1 A 29 29 GLU H H 29 9.001 9.440 -0.439 1
1 315 . 3 1 1 A 29 29 GLU HA H 29 4.446 4.527 -0.081 1
1 320 . 3 1 1 A 29 29 GLU C C 29 174.406 175.726 -1.320 1
1 321 . 3 1 1 A 29 29 GLU CA C 29 57.363 57.890 -0.527 1
1 322 . 3 1 1 A 29 29 GLU CB C 29 31.761 32.538 -0.777 1
1 324 . 3 1 1 A 29 29 GLU N N 29 125.872 125.150 0.722 1
1 325 . 3 1 1 A 30 30 ARG H H 30 7.654 7.851 -0.197 1
1 326 . 3 1 1 A 30 30 ARG HA H 30 5.282 4.748 0.534 1
1 334 . 3 1 1 A 30 30 ARG C C 30 178.750 174.290 4.460 1
1 335 . 3 1 1 A 30 30 ARG CA C 30 55.558 55.599 -0.041 1
1 336 . 3 1 1 A 30 30 ARG CB C 30 34.774 32.874 1.900 1
1 338 . 3 1 1 A 30 30 ARG N N 30 119.436 118.957 0.479 1
1 340 . 3 1 1 A 31 31 VAL H H 31 9.234 9.046 0.188 1
1 341 . 3 1 1 A 31 31 VAL HA H 31 4.397 4.353 0.044 1
1 349 . 3 1 1 A 31 31 VAL C C 31 178.662 175.209 3.453 1
1 350 . 3 1 1 A 31 31 VAL CA C 31 60.882 62.718 -1.836 1
1 351 . 3 1 1 A 31 31 VAL CB C 31 34.494 32.081 2.413 1
1 354 . 3 1 1 A 31 31 VAL N N 31 127.428 126.754 0.674 1
1 355 . 3 1 1 A 32 32 VAL H H 32 8.626 8.813 -0.187 1
1 356 . 3 1 1 A 32 32 VAL HA H 32 5.039 5.076 -0.037 1
1 364 . 3 1 1 A 32 32 VAL C C 32 175.519 174.794 0.725 1
1 365 . 3 1 1 A 32 32 VAL CA C 32 60.917 60.575 0.342 1
1 366 . 3 1 1 A 32 32 VAL CB C 32 31.892 34.400 -2.508 1
1 368 . 3 1 1 A 32 32 VAL N N 32 126.581 127.821 -1.240 1
1 369 . 3 1 1 A 33 33 VAL H H 33 8.802 9.258 -0.456 1
1 370 . 3 1 1 A 33 33 VAL HA H 33 4.917 4.619 0.298 1
1 378 . 3 1 1 A 33 33 VAL C C 33 178.038 174.739 3.299 1
1 379 . 3 1 1 A 33 33 VAL CA C 33 58.975 60.635 -1.660 1
1 380 . 3 1 1 A 33 33 VAL CB C 33 35.109 35.638 -0.529 1
1 383 . 3 1 1 A 33 33 VAL N N 33 122.994 127.255 -4.261 1
1 384 . 3 1 1 A 34 34 GLY H H 34 9.535 9.355 0.180 1
1 385 . 3 1 1 A 34 34 GLY HA2 H 34 5.187 4.131 1.056 1
1 386 . 3 1 1 A 34 34 GLY HA3 H 34 3.404 4.133 -0.729 1
1 387 . 3 1 1 A 34 34 GLY C C 34 178.060 172.405 5.655 1
1 388 . 3 1 1 A 34 34 GLY CA C 34 44.108 44.827 -0.719 1
1 389 . 3 1 1 A 34 34 GLY N N 34 112.269 114.872 -2.603 1
1 390 . 3 1 1 A 35 35 ILE H H 35 8.761 9.315 -0.554 1
1 391 . 3 1 1 A 35 35 ILE HA H 35 4.340 4.653 -0.313 1
1 401 . 3 1 1 A 35 35 ILE C C 35 174.823 176.247 -1.424 1
1 402 . 3 1 1 A 35 35 ILE CA C 35 60.287 59.784 0.503 1
1 403 . 3 1 1 A 35 35 ILE CB C 35 39.357 40.127 -0.770 1
1 407 . 3 1 1 A 35 35 ILE N N 35 123.848 126.819 -2.971 1
1 408 . 3 1 1 A 36 36 GLY H H 36 8.439 8.186 0.253 1
1 409 . 3 1 1 A 36 36 GLY HA2 H 36 3.321 4.088 -0.767 1
1 410 . 3 1 1 A 36 36 GLY HA3 H 36 4.444 4.093 0.351 1
1 411 . 3 1 1 A 36 36 GLY C C 36 175.743 174.742 1.001 1
1 412 . 3 1 1 A 36 36 GLY CA C 36 46.389 45.616 0.773 1
1 413 . 3 1 1 A 36 36 GLY N N 36 117.219 113.731 3.488 1
1 414 . 3 1 1 A 37 37 GLU H H 37 8.756 9.142 -0.386 1
1 415 . 3 1 1 A 37 37 GLU HA H 37 4.277 4.107 0.170 1
1 420 . 3 1 1 A 37 37 GLU C C 37 174.413 176.712 -2.299 1
1 421 . 3 1 1 A 37 37 GLU CA C 37 58.568 58.323 0.245 1
1 422 . 3 1 1 A 37 37 GLU CB C 37 29.809 29.006 0.803 1
1 424 . 3 1 1 A 37 37 GLU N N 37 124.260 120.346 3.914 1
1 425 . 3 1 1 A 38 38 ARG H H 38 8.483 7.817 0.666 1
1 426 . 3 1 1 A 38 38 ARG HA H 38 4.594 4.547 0.047 1
1 434 . 3 1 1 A 38 38 ARG C C 38 175.250 176.537 -1.287 1
1 435 . 3 1 1 A 38 38 ARG CA C 38 54.916 55.352 -0.436 1
1 436 . 3 1 1 A 38 38 ARG CB C 38 29.706 30.548 -0.842 1
1 439 . 3 1 1 A 38 38 ARG N N 38 117.248 120.014 -2.766 1
1 441 . 3 1 1 A 39 39 SER H H 39 7.630 7.789 -0.159 1
1 442 . 3 1 1 A 39 39 SER HA H 39 4.139 4.453 -0.314 1
1 445 . 3 1 1 A 39 39 SER C C 39 176.694 173.535 3.159 1
1 446 . 3 1 1 A 39 39 SER CA C 39 59.524 58.892 0.632 1
1 447 . 3 1 1 A 39 39 SER CB C 39 64.248 63.206 1.042 1
1 448 . 3 1 1 A 39 39 SER N N 39 115.086 115.497 -0.411 1
1 449 . 3 1 1 A 40 40 ALA H H 40 8.667 7.976 0.691 1
1 450 . 3 1 1 A 40 40 ALA HA H 40 4.267 3.947 0.320 1
1 454 . 3 1 1 A 40 40 ALA C C 40 174.406 175.561 -1.155 1
1 455 . 3 1 1 A 40 40 ALA CA C 40 52.641 53.424 -0.783 1
1 456 . 3 1 1 A 40 40 ALA CB C 40 17.976 17.625 0.351 1
1 457 . 3 1 1 A 40 40 ALA N N 40 126.133 123.045 3.088 1
1 458 . 3 1 1 A 41 41 MET H H 41 7.793 7.718 0.075 1
1 459 . 3 1 1 A 41 41 MET HA H 41 4.389 4.958 -0.569 1
1 467 . 3 1 1 A 41 41 MET C C 41 176.689 174.447 2.242 1
1 468 . 3 1 1 A 41 41 MET CA C 41 55.965 53.408 2.557 1
1 469 . 3 1 1 A 41 41 MET CB C 41 34.761 34.677 0.084 1
1 472 . 3 1 1 A 41 41 MET N N 41 117.758 113.546 4.212 1
1 473 . 3 1 1 A 42 42 ASP H H 42 9.667 8.815 0.852 1
1 474 . 3 1 1 A 42 42 ASP HA H 42 4.706 4.656 0.050 1
1 477 . 3 1 1 A 42 42 ASP C C 42 174.559 177.641 -3.082 1
1 478 . 3 1 1 A 42 42 ASP CA C 42 53.363 54.541 -1.178 1
1 479 . 3 1 1 A 42 42 ASP CB C 42 41.740 40.573 1.167 1
1 480 . 3 1 1 A 42 42 ASP N N 42 125.565 123.512 2.053 1
1 481 . 3 1 1 A 43 43 LYS H H 43 8.928 8.633 0.295 1
1 482 . 3 1 1 A 43 43 LYS HA H 43 3.752 4.132 -0.380 1
1 491 . 3 1 1 A 43 43 LYS C C 43 173.737 178.690 -4.953 1
1 492 . 3 1 1 A 43 43 LYS CA C 43 60.966 59.086 1.880 1
1 493 . 3 1 1 A 43 43 LYS CB C 43 32.585 32.015 0.570 1
1 497 . 3 1 1 A 43 43 LYS N N 43 127.256 125.469 1.787 1
1 498 . 3 1 1 A 44 44 SER H H 44 8.327 7.865 0.462 1
1 499 . 3 1 1 A 44 44 SER HA H 44 4.009 4.281 -0.272 1
1 502 . 3 1 1 A 44 44 SER C C 44 174.032 177.511 -3.479 1
1 503 . 3 1 1 A 44 44 SER CA C 44 62.461 61.145 1.316 1
1 504 . 3 1 1 A 44 44 SER CB C 44 62.281 62.981 -0.700 1
1 505 . 3 1 1 A 44 44 SER N N 44 114.797 115.025 -0.228 1
1 506 . 3 1 1 A 45 45 LEU H H 45 7.878 8.136 -0.258 1
1 507 . 3 1 1 A 45 45 LEU HA H 45 4.254 4.099 0.155 1
1 517 . 3 1 1 A 45 45 LEU C C 45 172.915 179.402 -6.487 1
1 518 . 3 1 1 A 45 45 LEU CA C 45 57.128 57.796 -0.668 1
1 519 . 3 1 1 A 45 45 LEU CB C 45 41.738 42.365 -0.627 1
1 523 . 3 1 1 A 45 45 LEU N N 45 124.570 122.469 2.101 1
1 524 . 3 1 1 A 46 46 PHE H H 46 8.343 8.066 0.277 1
1 525 . 3 1 1 A 46 46 PHE HA H 46 3.882 4.260 -0.378 1
1 532 . 3 1 1 A 46 46 PHE C C 46 175.104 176.966 -1.862 1
1 533 . 3 1 1 A 46 46 PHE CA C 46 61.820 61.514 0.306 1
1 534 . 3 1 1 A 46 46 PHE CB C 46 40.047 39.103 0.944 1
1 537 . 3 1 1 A 46 46 PHE N N 46 121.059 118.979 2.080 1
1 538 . 3 1 1 A 47 47 VAL H H 47 8.370 8.166 0.204 1
1 539 . 3 1 1 A 47 47 VAL HA H 47 3.466 3.548 -0.082 1
1 547 . 3 1 1 A 47 47 VAL C C 47 173.353 177.830 -4.477 1
1 548 . 3 1 1 A 47 47 VAL CA C 47 67.220 64.579 2.641 1
1 549 . 3 1 1 A 47 47 VAL CB C 47 31.927 31.266 0.661 1
1 552 . 3 1 1 A 47 47 VAL N N 47 118.023 119.312 -1.289 1
1 553 . 3 1 1 A 48 48 SER H H 48 7.967 7.949 0.018 1
1 554 . 3 1 1 A 48 48 SER HA H 48 4.268 4.085 0.183 1
1 557 . 3 1 1 A 48 48 SER C C 48 174.187 177.176 -2.989 1
1 558 . 3 1 1 A 48 48 SER CA C 48 61.789 61.560 0.229 1
1 559 . 3 1 1 A 48 48 SER CB C 48 62.761 63.092 -0.331 1
1 560 . 3 1 1 A 48 48 SER N N 48 114.372 116.900 -2.528 1
1 561 . 3 1 1 A 49 49 ALA H H 49 8.489 7.879 0.610 1
1 562 . 3 1 1 A 49 49 ALA HA H 49 3.931 4.202 -0.271 1
1 566 . 3 1 1 A 49 49 ALA C C 49 172.626 179.534 -6.908 1
1 567 . 3 1 1 A 49 49 ALA CA C 49 55.067 55.049 0.018 1
1 568 . 3 1 1 A 49 49 ALA CB C 49 17.587 18.467 -0.880 1
1 569 . 3 1 1 A 49 49 ALA N N 49 124.199 123.264 0.935 1
1 570 . 3 1 1 A 50 50 PHE H H 50 8.510 8.432 0.078 1
1 571 . 3 1 1 A 50 50 PHE HA H 50 3.763 4.012 -0.249 1
1 578 . 3 1 1 A 50 50 PHE C C 50 174.923 177.312 -2.389 1
1 579 . 3 1 1 A 50 50 PHE CA C 50 63.098 61.555 1.543 1
1 580 . 3 1 1 A 50 50 PHE CB C 50 39.465 39.017 0.448 1
1 583 . 3 1 1 A 50 50 PHE N N 50 120.967 119.718 1.249 1
1 584 . 3 1 1 A 51 51 GLU H H 51 8.561 8.848 -0.287 1
1 585 . 3 1 1 A 51 51 GLU HA H 51 3.717 3.828 -0.111 1
1 590 . 3 1 1 A 51 51 GLU C C 51 173.002 179.337 -6.335 1
1 591 . 3 1 1 A 51 51 GLU CA C 51 59.750 59.464 0.286 1
1 592 . 3 1 1 A 51 51 GLU CB C 51 29.330 29.290 0.040 1
1 594 . 3 1 1 A 51 51 GLU N N 51 116.915 117.307 -0.392 1
1 595 . 3 1 1 A 52 52 THR H H 52 7.759 7.853 -0.094 1
1 596 . 3 1 1 A 52 52 THR HA H 52 4.090 3.796 0.294 1
1 601 . 3 1 1 A 52 52 THR C C 52 174.897 176.086 -1.189 1
1 602 . 3 1 1 A 52 52 THR CA C 52 65.899 66.581 -0.682 1
1 603 . 3 1 1 A 52 52 THR CB C 52 69.172 68.444 0.728 1
1 605 . 3 1 1 A 52 52 THR N N 52 114.348 117.194 -2.846 1
1 606 . 3 1 1 A 53 53 PHE H H 53 8.725 8.069 0.656 1
1 607 . 3 1 1 A 53 53 PHE HA H 53 4.335 4.416 -0.081 1
1 614 . 3 1 1 A 53 53 PHE C C 53 172.389 177.660 -5.271 1
1 615 . 3 1 1 A 53 53 PHE CA C 53 60.011 61.170 -1.159 1
1 616 . 3 1 1 A 53 53 PHE CB C 53 38.244 37.550 0.694 1
1 619 . 3 1 1 A 53 53 PHE N N 53 120.493 118.081 2.412 1
1 620 . 3 1 1 A 54 54 ARG H H 54 8.579 7.946 0.633 1
1 621 . 3 1 1 A 54 54 ARG HA H 54 3.626 3.852 -0.226 1
1 625 . 3 1 1 A 54 54 ARG C C 54 175.195 177.612 -2.417 1
1 626 . 3 1 1 A 54 54 ARG CA C 54 59.252 58.578 0.674 1
1 627 . 3 1 1 A 54 54 ARG CB C 54 26.544 29.761 -3.217 1
1 629 . 3 1 1 A 54 54 ARG N N 54 119.132 118.874 0.258 1
1 631 . 3 1 1 A 55 55 GLU H H 55 6.758 8.410 -1.652 1
1 632 . 3 1 1 A 55 55 GLU HA H 55 3.983 4.127 -0.144 1
1 637 . 3 1 1 A 55 55 GLU C C 55 174.356 179.587 -5.231 1
1 638 . 3 1 1 A 55 55 GLU CA C 55 58.002 58.853 -0.851 1
1 639 . 3 1 1 A 55 55 GLU CB C 55 29.865 29.270 0.595 1
1 641 . 3 1 1 A 55 55 GLU N N 55 115.466 118.795 -3.329 1
1 642 . 3 1 1 A 56 56 GLU H H 56 7.245 7.781 -0.536 1
1 643 . 3 1 1 A 56 56 GLU HA H 56 4.294 4.138 0.156 1
1 648 . 3 1 1 A 56 56 GLU C C 56 175.946 175.948 -0.002 1
1 649 . 3 1 1 A 56 56 GLU CA C 56 55.827 58.313 -2.486 1
1 650 . 3 1 1 A 56 56 GLU CB C 56 30.030 29.693 0.337 1
1 652 . 3 1 1 A 56 56 GLU N N 56 114.653 120.350 -5.697 1
1 653 . 3 1 1 A 57 57 SER H H 57 7.405 7.601 -0.196 1
1 654 . 3 1 1 A 57 57 SER HA H 57 4.707 4.793 -0.086 1
1 657 . 3 1 1 A 57 57 SER C C 57 176.895 175.075 1.820 1
1 658 . 3 1 1 A 57 57 SER CA C 57 55.456 56.570 -1.114 1
1 659 . 3 1 1 A 57 57 SER CB C 57 64.059 66.353 -2.294 1
1 660 . 3 1 1 A 57 57 SER N N 57 114.312 110.192 4.120 1
1 661 . 3 1 1 A 58 58 LEU H H 58 8.819 8.504 0.315 1
1 662 . 3 1 1 A 58 58 LEU HA H 58 4.120 4.281 -0.161 1
1 672 . 3 1 1 A 58 58 LEU C C 58 172.006 178.585 -6.579 1
1 673 . 3 1 1 A 58 58 LEU CA C 58 58.438 56.815 1.623 1
1 674 . 3 1 1 A 58 58 LEU CB C 58 41.839 42.643 -0.804 1
1 678 . 3 1 1 A 58 58 LEU N N 58 129.477 121.886 7.591 1
1 679 . 3 1 1 A 59 59 VAL H H 59 7.929 8.163 -0.234 1
1 680 . 3 1 1 A 59 59 VAL HA H 59 4.305 3.943 0.362 1
1 688 . 3 1 1 A 59 59 VAL C C 59 173.624 177.585 -3.961 1
1 689 . 3 1 1 A 59 59 VAL CA C 59 64.028 64.732 -0.704 1
1 690 . 3 1 1 A 59 59 VAL CB C 59 33.135 31.532 1.603 1
1 693 . 3 1 1 A 59 59 VAL N N 59 112.367 115.188 -2.821 1
1 694 . 3 1 1 A 60 60 CYS H H 60 7.786 8.046 -0.260 1
1 695 . 3 1 1 A 60 60 CYS HA H 60 4.589 4.327 0.262 1
1 698 . 3 1 1 A 60 60 CYS C C 60 176.508 176.636 -0.128 1
1 699 . 3 1 1 A 60 60 CYS CA C 60 59.907 61.464 -1.557 1
1 700 . 3 1 1 A 60 60 CYS CB C 60 28.211 27.470 0.741 1
1 701 . 3 1 1 A 60 60 CYS N N 60 115.412 120.683 -5.271 1
1 702 . 3 1 1 A 61 61 LYS H H 61 7.415 7.677 -0.262 1
1 703 . 3 1 1 A 61 61 LYS HA H 61 3.820 4.044 -0.224 1
1 712 . 3 1 1 A 61 61 LYS C C 61 175.812 177.012 -1.200 1
1 713 . 3 1 1 A 61 61 LYS CA C 61 60.389 59.221 1.168 1
1 714 . 3 1 1 A 61 61 LYS CB C 61 32.606 32.169 0.437 1
1 718 . 3 1 1 A 61 61 LYS N N 61 120.942 120.323 0.619 1
1 719 . 3 1 1 A 62 62 ASP C C 62 175.254 174.522 0.732 1
1 720 . 3 1 1 A 62 62 ASP CA C 62 55.159 53.635 1.524 1
1 721 . 3 1 1 A 62 62 ASP CB C 62 42.358 39.035 3.323 1
1 722 . 3 1 1 A 64 64 ILE H H 64 7.784 8.736 -0.952 1
1 723 . 3 1 1 A 64 64 ILE HA H 64 4.126 5.056 -0.930 1
1 733 . 3 1 1 A 64 64 ILE C C 64 177.456 174.012 3.444 1
1 734 . 3 1 1 A 64 64 ILE CA C 64 60.516 59.536 0.980 1
1 735 . 3 1 1 A 64 64 ILE CB C 64 39.990 42.139 -2.149 1
1 739 . 3 1 1 A 64 64 ILE N N 64 122.653 120.259 2.394 1
1 740 . 3 1 1 A 65 65 LEU H H 65 8.357 8.929 -0.572 1
1 741 . 3 1 1 A 65 65 LEU HA H 65 4.858 5.230 -0.372 1
1 751 . 3 1 1 A 65 65 LEU C C 65 176.625 173.524 3.101 1
1 752 . 3 1 1 A 65 65 LEU CA C 65 53.315 53.125 0.190 1
1 753 . 3 1 1 A 65 65 LEU CB C 65 43.307 45.455 -2.148 1
1 757 . 3 1 1 A 65 65 LEU N N 65 128.311 127.403 0.908 1
1 758 . 3 1 1 A 66 66 ASP H H 66 9.088 9.075 0.013 1
1 759 . 3 1 1 A 66 66 ASP HA H 66 5.009 5.184 -0.175 1
1 762 . 3 1 1 A 66 66 ASP C C 66 177.504 174.623 2.881 1
1 763 . 3 1 1 A 66 66 ASP CA C 66 53.137 52.862 0.275 1
1 764 . 3 1 1 A 66 66 ASP CB C 66 44.234 42.871 1.363 1
1 765 . 3 1 1 A 66 66 ASP N N 66 129.457 127.000 2.457 1
1 766 . 3 1 1 A 67 67 ILE H H 67 8.240 9.036 -0.796 1
1 767 . 3 1 1 A 67 67 ILE HA H 67 4.759 4.730 0.029 1
1 777 . 3 1 1 A 67 67 ILE C C 67 175.569 175.591 -0.022 1
1 778 . 3 1 1 A 67 67 ILE CA C 67 59.640 60.020 -0.380 1
1 779 . 3 1 1 A 67 67 ILE CB C 67 39.948 37.945 2.003 1
1 783 . 3 1 1 A 67 67 ILE N N 67 120.821 126.437 -5.616 1
1 784 . 3 1 1 A 68 68 VAL H H 68 9.310 8.914 0.396 1
1 785 . 3 1 1 A 68 68 VAL HA H 68 4.149 3.989 0.160 1
1 793 . 3 1 1 A 68 68 VAL C C 68 176.697 175.279 1.418 1
1 794 . 3 1 1 A 68 68 VAL CA C 68 60.707 62.980 -2.273 1
1 795 . 3 1 1 A 68 68 VAL CB C 68 34.121 32.148 1.973 1
1 798 . 3 1 1 A 68 68 VAL N N 68 130.182 128.508 1.674 1
1 799 . 3 1 1 A 69 69 ASP H H 69 8.577 8.720 -0.143 1
1 800 . 3 1 1 A 69 69 ASP HA H 69 4.847 4.963 -0.116 1
1 803 . 3 1 1 A 69 69 ASP C C 69 175.713 175.238 0.475 1
1 804 . 3 1 1 A 69 69 ASP CA C 69 54.357 54.103 0.254 1
1 805 . 3 1 1 A 69 69 ASP CB C 69 41.353 40.731 0.622 1
1 806 . 3 1 1 A 69 69 ASP N N 69 127.151 128.625 -1.474 1
1 807 . 3 1 1 A 70 70 GLU H H 70 7.857 8.766 -0.909 1
1 808 . 3 1 1 A 70 70 GLU HA H 70 4.563 4.402 0.161 1
1 813 . 3 1 1 A 70 70 GLU C C 70 176.179 176.782 -0.603 1
1 814 . 3 1 1 A 70 70 GLU CA C 70 56.333 56.414 -0.081 1
1 815 . 3 1 1 A 70 70 GLU CB C 70 31.503 30.594 0.909 1
1 817 . 3 1 1 A 70 70 GLU N N 70 123.503 124.173 -0.670 1
1 818 . 3 1 1 A 71 71 LYS H H 71 8.517 8.562 -0.045 1
1 819 . 3 1 1 A 71 71 LYS HA H 71 4.261 4.402 -0.141 1
1 828 . 3 1 1 A 71 71 LYS C C 71 175.084 175.555 -0.471 1
1 829 . 3 1 1 A 71 71 LYS CA C 71 55.210 56.646 -1.436 1
1 830 . 3 1 1 A 71 71 LYS CB C 71 33.019 33.365 -0.346 1
1 834 . 3 1 1 A 71 71 LYS N N 71 124.197 122.686 1.511 1
1 835 . 3 1 1 A 72 72 VAL H H 72 8.612 8.229 0.383 1
1 836 . 3 1 1 A 72 72 VAL HA H 72 4.277 5.062 -0.785 1
1 844 . 3 1 1 A 72 72 VAL C C 72 176.529 174.590 1.939 1
1 845 . 3 1 1 A 72 72 VAL CA C 72 63.133 60.562 2.571 1
1 846 . 3 1 1 A 72 72 VAL CB C 72 32.188 34.916 -2.728 1
1 849 . 3 1 1 A 72 72 VAL N N 72 119.616 120.121 -0.505 1
1 850 . 3 1 1 A 73 73 GLU H H 73 7.750 9.041 -1.291 1
1 851 . 3 1 1 A 73 73 GLU HA H 73 4.469 5.111 -0.642 1
1 856 . 3 1 1 A 73 73 GLU C C 73 178.456 174.570 3.886 1
1 857 . 3 1 1 A 73 73 GLU CA C 73 55.241 54.618 0.623 1
1 858 . 3 1 1 A 73 73 GLU CB C 73 34.536 33.452 1.084 1
1 860 . 3 1 1 A 73 73 GLU N N 73 126.126 127.465 -1.339 1
1 861 . 3 1 1 A 74 74 LEU H H 74 8.495 9.110 -0.615 1
1 862 . 3 1 1 A 74 74 LEU HA H 74 5.207 4.840 0.367 1
1 869 . 3 1 1 A 74 74 LEU C C 74 176.827 174.743 2.084 1
1 870 . 3 1 1 A 74 74 LEU CA C 74 52.600 53.384 -0.784 1
1 871 . 3 1 1 A 74 74 LEU CB C 74 45.404 41.958 3.446 1
1 874 . 3 1 1 A 74 74 LEU N N 74 123.821 127.426 -3.605 1
1 875 . 3 1 1 A 75 75 GLU H H 75 8.770 8.845 -0.075 1
1 876 . 3 1 1 A 75 75 GLU HA H 75 5.127 4.379 0.748 1
1 881 . 3 1 1 A 75 75 GLU C C 75 176.617 176.243 0.374 1
1 882 . 3 1 1 A 75 75 GLU CA C 75 53.748 56.234 -2.486 1
1 883 . 3 1 1 A 75 75 GLU CB C 75 33.910 30.718 3.192 1
1 885 . 3 1 1 A 75 75 GLU N N 75 118.723 125.519 -6.796 1
1 886 . 3 1 1 A 76 76 CYS H H 76 9.354 8.444 0.910 1
1 887 . 3 1 1 A 76 76 CYS HA H 76 4.665 4.614 0.051 1
1 890 . 3 1 1 A 76 76 CYS C C 76 173.085 175.660 -2.575 1
1 891 . 3 1 1 A 76 76 CYS CA C 76 59.386 58.134 1.252 1
1 892 . 3 1 1 A 76 76 CYS CB C 76 32.476 28.968 3.508 1
1 893 . 3 1 1 A 76 76 CYS N N 76 128.378 124.319 4.059 1
1 894 . 3 1 1 A 77 77 LYS H H 77 9.328 8.735 0.593 1
1 895 . 3 1 1 A 77 77 LYS HA H 77 4.279 4.031 0.248 1
1 904 . 3 1 1 A 77 77 LYS C C 77 174.709 177.086 -2.377 1
1 905 . 3 1 1 A 77 77 LYS CA C 77 56.997 59.272 -2.275 1
1 906 . 3 1 1 A 77 77 LYS CB C 77 31.240 32.760 -1.520 1
1 910 . 3 1 1 A 77 77 LYS N N 77 129.264 125.961 3.303 1
1 911 . 3 1 1 A 78 78 ASP H H 78 9.182 8.141 1.041 1
1 912 . 3 1 1 A 78 78 ASP HA H 78 4.945 4.887 0.058 1
1 915 . 3 1 1 A 78 78 ASP C C 78 173.961 174.551 -0.590 1
1 916 . 3 1 1 A 78 78 ASP CA C 78 56.797 52.752 4.045 1
1 917 . 3 1 1 A 78 78 ASP CB C 78 42.214 41.218 0.996 1
1 918 . 3 1 1 A 78 78 ASP N N 78 122.206 117.108 5.098 1
1 919 . 3 1 1 A 79 79 CYS H H 79 9.871 8.077 1.794 1
1 920 . 3 1 1 A 79 79 CYS HA H 79 5.165 4.869 0.296 1
1 923 . 3 1 1 A 79 79 CYS C C 79 174.253 173.290 0.963 1
1 924 . 3 1 1 A 79 79 CYS CA C 79 59.123 57.747 1.376 1
1 925 . 3 1 1 A 79 79 CYS CB C 79 32.286 30.662 1.624 1
1 926 . 3 1 1 A 79 79 CYS N N 79 124.020 123.146 0.874 1
1 927 . 3 1 1 A 80 80 SER H H 80 7.667 8.611 -0.944 1
1 928 . 3 1 1 A 80 80 SER HA H 80 4.564 4.813 -0.249 1
1 931 . 3 1 1 A 80 80 SER C C 80 178.621 173.043 5.578 1
1 932 . 3 1 1 A 80 80 SER CA C 80 62.038 57.277 4.761 1
1 933 . 3 1 1 A 80 80 SER CB C 80 62.215 64.105 -1.890 1
1 934 . 3 1 1 A 80 80 SER N N 80 115.904 117.423 -1.519 1
1 935 . 3 1 1 A 81 81 HIS H H 81 8.916 7.584 1.332 1
1 936 . 3 1 1 A 81 81 HIS HA H 81 4.649 4.962 -0.313 1
1 941 . 3 1 1 A 81 81 HIS C C 81 178.299 173.094 5.205 1
1 942 . 3 1 1 A 81 81 HIS CA C 81 58.348 55.862 2.486 1
1 943 . 3 1 1 A 81 81 HIS CB C 81 33.016 33.475 -0.459 1
1 946 . 3 1 1 A 81 81 HIS N N 81 125.397 121.315 4.082 1
1 949 . 3 1 1 A 82 82 VAL H H 82 7.058 8.134 -1.076 1
1 950 . 3 1 1 A 82 82 VAL HA H 82 5.212 4.943 0.269 1
1 958 . 3 1 1 A 82 82 VAL C C 82 176.161 173.855 2.306 1
1 959 . 3 1 1 A 82 82 VAL CA C 82 60.567 59.281 1.286 1
1 960 . 3 1 1 A 82 82 VAL CB C 82 34.355 36.003 -1.648 1
1 963 . 3 1 1 A 82 82 VAL N N 82 125.314 119.558 5.756 1
1 964 . 3 1 1 A 83 83 PHE H H 83 8.883 8.638 0.245 1
1 965 . 3 1 1 A 83 83 PHE HA H 83 4.842 5.188 -0.346 1
1 972 . 3 1 1 A 83 83 PHE C C 83 179.687 172.614 7.073 1
1 973 . 3 1 1 A 83 83 PHE CA C 83 55.495 55.429 0.066 1
1 974 . 3 1 1 A 83 83 PHE CB C 83 40.651 41.149 -0.498 1
1 978 . 3 1 1 A 83 83 PHE N N 83 122.377 118.730 3.647 1
1 979 . 3 1 1 A 84 84 LYS H H 84 8.658 8.720 -0.062 1
1 980 . 3 1 1 A 84 84 LYS HA H 84 5.001 4.862 0.139 1
1 989 . 3 1 1 A 84 84 LYS C C 84 176.705 175.146 1.559 1
1 990 . 3 1 1 A 84 84 LYS CA C 84 52.738 53.428 -0.690 1
1 991 . 3 1 1 A 84 84 LYS CB C 84 32.660 32.524 0.136 1
1 995 . 3 1 1 A 84 84 LYS N N 84 121.116 120.570 0.546 1
1 996 . 3 1 1 A 85 85 PRO HA H 85 4.663 4.694 -0.031 1
1 1003 . 3 1 1 A 85 85 PRO C C 85 174.722 175.976 -1.254 1
1 1004 . 3 1 1 A 85 85 PRO CA C 85 62.633 63.211 -0.578 1
1 1005 . 3 1 1 A 85 85 PRO CB C 85 32.712 31.948 0.764 1
1 1008 . 3 1 1 A 86 86 ASN H H 86 8.983 9.116 -0.133 1
1 1009 . 3 1 1 A 86 86 ASN HA H 86 4.704 4.896 -0.192 1
1 1014 . 3 1 1 A 86 86 ASN C C 86 176.576 174.712 1.864 1
1 1015 . 3 1 1 A 86 86 ASN CA C 86 53.552 54.654 -1.102 1
1 1016 . 3 1 1 A 86 86 ASN CB C 86 39.208 39.948 -0.740 1
1 1017 . 3 1 1 A 86 86 ASN N N 86 119.549 119.810 -0.261 1
1 1019 . 3 1 1 A 87 87 ALA H H 87 8.122 7.935 0.187 1
1 1020 . 3 1 1 A 87 87 ALA HA H 87 4.369 4.108 0.261 1
1 1024 . 3 1 1 A 87 87 ALA C C 87 174.154 177.125 -2.971 1
1 1025 . 3 1 1 A 87 87 ALA CA C 87 52.560 52.128 0.432 1
1 1026 . 3 1 1 A 87 87 ALA CB C 87 19.660 19.813 -0.153 1
1 1027 . 3 1 1 A 87 87 ALA N N 87 122.483 121.246 1.237 1
1 1028 . 3 1 1 A 88 88 LEU H H 88 8.195 8.110 0.085 1
1 1029 . 3 1 1 A 88 88 LEU HA H 88 4.192 4.376 -0.184 1
1 1039 . 3 1 1 A 88 88 LEU C C 88 174.871 177.566 -2.695 1
1 1040 . 3 1 1 A 88 88 LEU CA C 88 55.691 55.346 0.345 1
1 1041 . 3 1 1 A 88 88 LEU CB C 88 41.708 42.888 -1.180 1
1 1045 . 3 1 1 A 88 88 LEU N N 88 118.730 116.943 1.787 1
1 1046 . 3 1 1 A 89 89 ASP H H 89 7.902 8.100 -0.198 1
1 1047 . 3 1 1 A 89 89 ASP HA H 89 4.601 4.385 0.216 1
1 1050 . 3 1 1 A 89 89 ASP C C 89 175.940 176.650 -0.710 1
1 1051 . 3 1 1 A 89 89 ASP CA C 89 53.641 56.687 -3.046 1
1 1052 . 3 1 1 A 89 89 ASP CB C 89 40.953 40.883 0.070 1
1 1053 . 3 1 1 A 89 89 ASP N N 89 118.577 120.530 -1.953 1
1 1054 . 3 1 1 A 90 90 TYR H H 90 7.922 7.167 0.755 1
1 1055 . 3 1 1 A 90 90 TYR HA H 90 4.551 4.791 -0.240 1
1 1062 . 3 1 1 A 90 90 TYR C C 90 175.338 176.347 -1.009 1
1 1063 . 3 1 1 A 90 90 TYR CA C 90 57.505 57.166 0.339 1
1 1064 . 3 1 1 A 90 90 TYR CB C 90 38.147 39.184 -1.037 1
1 1067 . 3 1 1 A 90 90 TYR N N 90 121.632 113.204 8.428 1
1 1068 . 3 1 1 A 91 91 GLY H H 91 8.313 8.060 0.253 1
1 1069 . 3 1 1 A 91 91 GLY HA2 H 91 3.966 3.786 0.180 1
1 1070 . 3 1 1 A 91 91 GLY HA3 H 91 3.784 3.833 -0.049 1
1 1071 . 3 1 1 A 91 91 GLY C C 91 178.622 174.211 4.411 1
1 1072 . 3 1 1 A 91 91 GLY CA C 91 45.916 45.363 0.553 1
1 1073 . 3 1 1 A 91 91 GLY N N 91 108.097 109.285 -1.188 1
1 1074 . 3 1 1 A 92 92 VAL H H 92 7.078 7.529 -0.451 1
1 1075 . 3 1 1 A 92 92 VAL HA H 92 4.810 4.176 0.634 1
1 1083 . 3 1 1 A 92 92 VAL C C 92 176.954 175.714 1.240 1
1 1084 . 3 1 1 A 92 92 VAL CA C 92 59.083 61.612 -2.529 1
1 1085 . 3 1 1 A 92 92 VAL CB C 92 35.602 33.193 2.409 1
1 1088 . 3 1 1 A 92 92 VAL N N 92 113.901 117.846 -3.945 1
1 1089 . 3 1 1 A 93 93 CYS H H 93 9.086 8.514 0.572 1
1 1090 . 3 1 1 A 93 93 CYS HA H 93 4.118 4.714 -0.596 1
1 1093 . 3 1 1 A 93 93 CYS C C 93 173.477 176.013 -2.536 1
1 1094 . 3 1 1 A 93 93 CYS CA C 93 60.511 59.990 0.521 1
1 1095 . 3 1 1 A 93 93 CYS CB C 93 31.124 28.910 2.214 1
1 1096 . 3 1 1 A 93 93 CYS N N 93 126.248 122.519 3.729 1
1 1097 . 3 1 1 A 94 94 GLU H H 94 5.667 8.949 -3.282 1
1 1098 . 3 1 1 A 94 94 GLU HA H 94 4.073 3.936 0.137 1
1 1103 . 3 1 1 A 94 94 GLU C C 94 176.973 178.414 -1.441 1
1 1104 . 3 1 1 A 94 94 GLU CA C 94 57.434 59.616 -2.182 1
1 1105 . 3 1 1 A 94 94 GLU CB C 94 28.813 29.239 -0.426 1
1 1107 . 3 1 1 A 94 94 GLU N N 94 126.541 127.364 -0.823 1
1 1108 . 3 1 1 A 95 95 LYS H H 95 9.002 7.182 1.820 1
1 1109 . 3 1 1 A 95 95 LYS HA H 95 4.076 4.181 -0.105 1
1 1118 . 3 1 1 A 95 95 LYS C C 95 174.890 176.879 -1.989 1
1 1119 . 3 1 1 A 95 95 LYS CA C 95 57.782 58.792 -1.010 1
1 1120 . 3 1 1 A 95 95 LYS CB C 95 34.056 32.859 1.197 1
1 1124 . 3 1 1 A 95 95 LYS N N 95 123.753 118.632 5.121 1
1 1125 . 3 1 1 A 96 96 CYS H H 96 9.063 7.677 1.386 1
1 1126 . 3 1 1 A 96 96 CYS HA H 96 4.755 4.861 -0.106 1
1 1129 . 3 1 1 A 96 96 CYS C C 96 174.775 174.296 0.479 1
1 1130 . 3 1 1 A 96 96 CYS CA C 96 58.756 57.385 1.371 1
1 1131 . 3 1 1 A 96 96 CYS CB C 96 32.066 29.524 2.542 1
1 1132 . 3 1 1 A 96 96 CYS N N 96 120.699 115.409 5.290 1
1 1133 . 3 1 1 A 97 97 HIS H H 97 7.541 8.773 -1.232 1
1 1134 . 3 1 1 A 97 97 HIS HA H 97 4.474 4.454 0.020 1
1 1139 . 3 1 1 A 97 97 HIS C C 97 178.193 173.941 4.252 1
1 1140 . 3 1 1 A 97 97 HIS CA C 97 57.481 55.917 1.564 1
1 1141 . 3 1 1 A 97 97 HIS CB C 97 27.126 29.019 -1.893 1
1 1144 . 3 1 1 A 97 97 HIS N N 97 116.676 121.764 -5.088 1
1 1147 . 3 1 1 A 98 98 SER H H 98 8.775 7.929 0.846 1
1 1148 . 3 1 1 A 98 98 SER HA H 98 4.322 4.963 -0.641 1
1 1151 . 3 1 1 A 98 98 SER C C 98 176.432 173.771 2.661 1
1 1152 . 3 1 1 A 98 98 SER CA C 98 58.923 57.449 1.474 1
1 1153 . 3 1 1 A 98 98 SER CB C 98 64.790 66.807 -2.017 1
1 1154 . 3 1 1 A 98 98 SER N N 98 116.989 114.814 2.175 1
1 1155 . 3 1 1 A 99 99 LYS H H 99 8.567 8.757 -0.190 1
1 1156 . 3 1 1 A 99 99 LYS HA H 99 4.935 4.551 0.384 1
1 1165 . 3 1 1 A 99 99 LYS C C 99 173.648 177.280 -3.632 1
1 1166 . 3 1 1 A 99 99 LYS CA C 99 56.417 56.292 0.125 1
1 1167 . 3 1 1 A 99 99 LYS CB C 99 32.366 32.031 0.335 1
1 1171 . 3 1 1 A 99 99 LYS N N 99 122.510 124.694 -2.184 1
1 1172 . 3 1 1 A 100 100 ASN H H 100 9.426 8.305 1.121 1
1 1173 . 3 1 1 A 100 100 ASN HA H 100 4.916 4.553 0.363 1
1 1178 . 3 1 1 A 100 100 ASN C C 100 178.498 175.500 2.998 1
1 1179 . 3 1 1 A 100 100 ASN CA C 100 51.999 54.019 -2.020 1
1 1180 . 3 1 1 A 100 100 ASN CB C 100 36.539 37.596 -1.057 1
1 1181 . 3 1 1 A 100 100 ASN N N 100 124.489 117.635 6.854 1
1 1183 . 3 1 1 A 101 101 VAL H H 101 7.627 7.454 0.173 1
1 1184 . 3 1 1 A 101 101 VAL HA H 101 5.329 4.105 1.224 1
1 1192 . 3 1 1 A 101 101 VAL C C 101 175.484 175.811 -0.327 1
1 1193 . 3 1 1 A 101 101 VAL CA C 101 58.253 61.993 -3.740 1
1 1194 . 3 1 1 A 101 101 VAL CB C 101 34.692 32.443 2.249 1
1 1197 . 3 1 1 A 101 101 VAL N N 101 112.585 119.249 -6.664 1
1 1198 . 3 1 1 A 102 102 ILE H H 102 9.032 8.886 0.146 1
1 1199 . 3 1 1 A 102 102 ILE HA H 102 4.671 4.790 -0.119 1
1 1209 . 3 1 1 A 102 102 ILE C C 102 177.283 174.734 2.549 1
1 1210 . 3 1 1 A 102 102 ILE CA C 102 58.979 58.628 0.351 1
1 1211 . 3 1 1 A 102 102 ILE CB C 102 41.970 42.017 -0.047 1
1 1215 . 3 1 1 A 102 102 ILE N N 102 119.819 118.025 1.794 1
1 1216 . 3 1 1 A 103 103 ILE H H 103 8.364 8.892 -0.528 1
1 1217 . 3 1 1 A 103 103 ILE HA H 103 4.527 4.296 0.231 1
1 1227 . 3 1 1 A 103 103 ILE C C 103 174.186 176.466 -2.280 1
1 1228 . 3 1 1 A 103 103 ILE CA C 103 61.366 61.333 0.033 1
1 1229 . 3 1 1 A 103 103 ILE CB C 103 38.577 36.849 1.728 1
1 1233 . 3 1 1 A 103 103 ILE N N 103 123.325 124.807 -1.482 1
1 1234 . 3 1 1 A 104 104 THR H H 104 8.796 8.804 -0.008 1
1 1235 . 3 1 1 A 104 104 THR HA H 104 4.260 4.357 -0.097 1
1 1240 . 3 1 1 A 104 104 THR C C 104 176.317 173.826 2.491 1
1 1241 . 3 1 1 A 104 104 THR CA C 104 62.708 63.375 -0.667 1
1 1242 . 3 1 1 A 104 104 THR CB C 104 68.431 69.778 -1.347 1
1 1244 . 3 1 1 A 104 104 THR N N 104 120.825 122.944 -2.119 1
1 1245 . 3 1 1 A 105 105 GLN H H 105 7.705 7.712 -0.007 1
1 1246 . 3 1 1 A 105 105 GLN HA H 105 4.482 4.607 -0.125 1
1 1253 . 3 1 1 A 105 105 GLN C C 105 177.316 175.254 2.062 1
1 1254 . 3 1 1 A 105 105 GLN CA C 105 55.621 55.536 0.085 1
1 1255 . 3 1 1 A 105 105 GLN CB C 105 31.897 31.790 0.107 1
1 1257 . 3 1 1 A 105 105 GLN N N 105 118.599 120.023 -1.424 1
1 1259 . 3 1 1 A 106 106 GLY H H 106 9.091 8.728 0.363 1
1 1260 . 3 1 1 A 106 106 GLY HA2 H 106 3.472 3.990 -0.518 1
1 1261 . 3 1 1 A 106 106 GLY HA3 H 106 4.255 3.992 0.263 1
1 1262 . 3 1 1 A 106 106 GLY C C 106 178.226 175.318 2.908 1
1 1263 . 3 1 1 A 106 106 GLY CA C 106 45.497 45.641 -0.144 1
1 1264 . 3 1 1 A 106 106 GLY N N 106 106.938 114.922 -7.984 1
1 1265 . 3 1 1 A 107 107 ASN H H 107 8.542 8.289 0.253 1
1 1266 . 3 1 1 A 107 107 ASN HA H 107 4.670 4.419 0.251 1
1 1271 . 3 1 1 A 107 107 ASN C C 107 176.917 175.278 1.639 1
1 1272 . 3 1 1 A 107 107 ASN CA C 107 52.697 55.813 -3.116 1
1 1273 . 3 1 1 A 107 107 ASN CB C 107 39.745 38.120 1.625 1
1 1274 . 3 1 1 A 107 107 ASN N N 107 117.838 118.289 -0.451 1
1 1276 . 3 1 1 A 108 108 GLU H H 108 8.050 7.674 0.376 1
1 1277 . 3 1 1 A 108 108 GLU HA H 108 4.638 4.743 -0.105 1
1 1282 . 3 1 1 A 108 108 GLU C C 108 176.463 175.549 0.914 1
1 1283 . 3 1 1 A 108 108 GLU CA C 108 55.693 54.817 0.876 1
1 1284 . 3 1 1 A 108 108 GLU CB C 108 32.643 32.559 0.084 1
1 1286 . 3 1 1 A 108 108 GLU N N 108 118.542 115.956 2.586 1
1 1287 . 3 1 1 A 109 109 MET H H 109 8.431 8.491 -0.060 1
1 1288 . 3 1 1 A 109 109 MET HA H 109 5.236 4.764 0.472 1
1 1296 . 3 1 1 A 109 109 MET C C 109 176.443 175.445 0.998 1
1 1297 . 3 1 1 A 109 109 MET CA C 109 54.801 54.862 -0.061 1
1 1298 . 3 1 1 A 109 109 MET CB C 109 33.115 33.809 -0.694 1
1 1301 . 3 1 1 A 109 109 MET N N 109 121.401 119.149 2.252 1
1 1302 . 3 1 1 A 110 110 ARG H H 110 9.166 9.069 0.097 1
1 1303 . 3 1 1 A 110 110 ARG HA H 110 4.771 4.921 -0.150 1
1 1311 . 3 1 1 A 110 110 ARG C C 110 177.215 174.859 2.356 1
1 1312 . 3 1 1 A 110 110 ARG CA C 110 54.826 54.033 0.793 1
1 1313 . 3 1 1 A 110 110 ARG CB C 110 33.474 33.862 -0.388 1
1 1316 . 3 1 1 A 110 110 ARG N N 110 123.271 117.571 5.700 1
1 1318 . 3 1 1 A 111 111 LEU H H 111 8.874 8.822 0.052 1
1 1319 . 3 1 1 A 111 111 LEU HA H 111 4.335 4.480 -0.145 1
1 1329 . 3 1 1 A 111 111 LEU C C 111 175.976 176.391 -0.415 1
1 1330 . 3 1 1 A 111 111 LEU CA C 111 55.633 54.551 1.082 1
1 1331 . 3 1 1 A 111 111 LEU CB C 111 42.413 42.368 0.045 1
1 1335 . 3 1 1 A 111 111 LEU N N 111 125.212 121.304 3.908 1
1 1336 . 3 1 1 A 112 112 LEU HA H 112 4.432 4.514 -0.082 1
1 1346 . 3 1 1 A 112 112 LEU C C 112 173.898 176.533 -2.635 1
1 1347 . 3 1 1 A 112 112 LEU CA C 112 56.230 55.873 0.357 1
1 1348 . 3 1 1 A 112 112 LEU CB C 112 42.688 43.358 -0.670 1
1 1352 . 3 1 1 A 113 113 SER H H 113 7.895 7.466 0.429 1
1 1353 . 3 1 1 A 113 113 SER HA H 113 4.509 4.618 -0.109 1
1 1356 . 3 1 1 A 113 113 SER C C 113 180.240 172.015 8.225 1
1 1357 . 3 1 1 A 113 113 SER CA C 113 58.129 57.187 0.942 1
1 1358 . 3 1 1 A 113 113 SER CB C 113 64.473 64.845 -0.372 1
1 1359 . 3 1 1 A 113 113 SER N N 113 110.894 109.739 1.155 1
1 1360 . 3 1 1 A 114 114 LEU H H 114 8.151 8.560 -0.409 1
1 1361 . 3 1 1 A 114 114 LEU HA H 114 5.086 4.913 0.173 1
1 1371 . 3 1 1 A 114 114 LEU C C 114 175.777 175.814 -0.037 1
1 1372 . 3 1 1 A 114 114 LEU CA C 114 53.830 54.470 -0.640 1
1 1373 . 3 1 1 A 114 114 LEU CB C 114 46.471 44.022 2.449 1
1 1377 . 3 1 1 A 114 114 LEU N N 114 120.671 123.330 -2.659 1
1 1378 . 3 1 1 A 115 115 GLU H H 115 8.666 9.183 -0.517 1
1 1379 . 3 1 1 A 115 115 GLU HA H 115 4.823 4.478 0.345 1
1 1384 . 3 1 1 A 115 115 GLU C C 115 175.727 176.443 -0.716 1
1 1385 . 3 1 1 A 115 115 GLU CA C 115 55.127 56.791 -1.664 1
1 1386 . 3 1 1 A 115 115 GLU CB C 115 31.063 30.119 0.944 1
1 1388 . 3 1 1 A 115 115 GLU N N 115 122.105 124.280 -2.175 1
1 1389 . 3 1 1 A 116 116 MET H H 116 9.159 8.711 0.448 1
1 1390 . 3 1 1 A 116 116 MET HA H 116 4.989 5.189 -0.200 1
1 1398 . 3 1 1 A 116 116 MET C C 116 177.447 174.588 2.859 1
1 1399 . 3 1 1 A 116 116 MET CA C 116 54.669 53.695 0.974 1
1 1400 . 3 1 1 A 116 116 MET CB C 116 36.107 35.813 0.294 1
1 1403 . 3 1 1 A 116 116 MET N N 116 123.947 120.748 3.199 1
1 1404 . 3 1 1 A 117 117 LEU H H 117 8.573 8.664 -0.091 1
1 1405 . 3 1 1 A 117 117 LEU HA H 117 4.670 4.651 0.019 1
1 1412 . 3 1 1 A 117 117 LEU C C 117 175.990 175.297 0.693 1
1 1413 . 3 1 1 A 117 117 LEU CA C 117 54.549 54.745 -0.196 1
1 1414 . 3 1 1 A 117 117 LEU CB C 117 44.045 41.706 2.339 1
1 1417 . 3 1 1 A 117 117 LEU N N 117 122.478 125.692 -3.214 1
1 1418 . 3 1 1 A 118 118 ALA H H 118 8.714 7.808 0.906 1
1 1419 . 3 1 1 A 118 118 ALA HA H 118 4.604 4.937 -0.333 1
1 1423 . 3 1 1 A 118 118 ALA C C 118 175.279 175.343 -0.064 1
1 1424 . 3 1 1 A 118 118 ALA CA C 118 52.155 51.762 0.393 1
1 1425 . 3 1 1 A 118 118 ALA CB C 118 20.444 22.143 -1.699 1
1 1426 . 3 1 1 A 118 118 ALA N N 118 127.701 127.337 0.364 1
1 4 . 4 1 1 A 2 2 SER HA H 2 4.544 4.709 -0.165 1
1 7 . 4 1 1 A 2 2 SER CA C 2 58.424 57.881 0.543 1
1 8 . 4 1 1 A 2 2 SER CB C 2 64.017 62.733 1.284 1
1 13 . 4 1 1 A 4 4 HIS HA H 4 4.504 4.071 0.433 1
1 17 . 4 1 1 A 4 4 HIS C C 4 175.043 176.680 -1.637 1
1 18 . 4 1 1 A 4 4 HIS CA C 4 58.574 60.693 -2.119 1
1 19 . 4 1 1 A 4 4 HIS CB C 4 30.859 30.508 0.351 1
1 20 . 4 1 1 A 5 5 GLU H H 5 10.002 9.030 0.972 1
1 21 . 4 1 1 A 5 5 GLU HA H 5 3.831 3.904 -0.073 1
1 26 . 4 1 1 A 5 5 GLU C C 5 173.758 176.697 -2.939 1
1 27 . 4 1 1 A 5 5 GLU CA C 5 61.822 58.228 3.594 1
1 28 . 4 1 1 A 5 5 GLU CB C 5 28.884 27.955 0.929 1
1 30 . 4 1 1 A 5 5 GLU N N 5 120.850 116.790 4.060 1
1 31 . 4 1 1 A 6 6 TYR H H 6 8.163 7.443 0.720 1
1 32 . 4 1 1 A 6 6 TYR HA H 6 4.066 4.397 -0.331 1
1 39 . 4 1 1 A 6 6 TYR C C 6 173.754 176.379 -2.625 1
1 40 . 4 1 1 A 6 6 TYR CA C 6 61.029 57.634 3.395 1
1 41 . 4 1 1 A 6 6 TYR CB C 6 37.391 38.951 -1.560 1
1 44 . 4 1 1 A 6 6 TYR N N 6 117.171 118.833 -1.662 1
1 45 . 4 1 1 A 7 7 SER H H 7 7.929 7.869 0.060 1
1 46 . 4 1 1 A 7 7 SER HA H 7 4.265 4.091 0.174 1
1 49 . 4 1 1 A 7 7 SER C C 7 174.434 177.270 -2.836 1
1 50 . 4 1 1 A 7 7 SER CA C 7 61.471 61.772 -0.301 1
1 51 . 4 1 1 A 7 7 SER CB C 7 62.686 63.030 -0.344 1
1 52 . 4 1 1 A 7 7 SER N N 7 116.417 116.678 -0.261 1
1 53 . 4 1 1 A 8 8 VAL H H 8 8.088 7.905 0.183 1
1 54 . 4 1 1 A 8 8 VAL HA H 8 3.795 3.695 0.100 1
1 62 . 4 1 1 A 8 8 VAL C C 8 172.652 178.326 -5.674 1
1 63 . 4 1 1 A 8 8 VAL CA C 8 66.036 66.796 -0.760 1
1 64 . 4 1 1 A 8 8 VAL CB C 8 31.811 31.683 0.128 1
1 67 . 4 1 1 A 8 8 VAL N N 8 122.514 120.620 1.894 1
1 68 . 4 1 1 A 9 9 VAL H H 9 8.255 8.175 0.080 1
1 69 . 4 1 1 A 9 9 VAL HA H 9 3.539 3.570 -0.031 1
1 77 . 4 1 1 A 9 9 VAL C C 9 174.142 177.965 -3.823 1
1 78 . 4 1 1 A 9 9 VAL CA C 9 67.201 66.834 0.367 1
1 79 . 4 1 1 A 9 9 VAL CB C 9 30.859 31.296 -0.437 1
1 82 . 4 1 1 A 9 9 VAL N N 9 120.829 120.154 0.675 1
1 83 . 4 1 1 A 10 10 SER H H 10 8.179 8.214 -0.035 1
1 84 . 4 1 1 A 10 10 SER HA H 10 3.726 4.041 -0.315 1
1 87 . 4 1 1 A 10 10 SER C C 10 173.669 177.393 -3.724 1
1 88 . 4 1 1 A 10 10 SER CA C 10 62.397 61.665 0.732 1
1 89 . 4 1 1 A 10 10 SER CB C 10 62.470 62.849 -0.379 1
1 90 . 4 1 1 A 10 10 SER N N 10 115.937 115.262 0.675 1
1 91 . 4 1 1 A 11 11 SER H H 11 7.860 7.939 -0.079 1
1 92 . 4 1 1 A 11 11 SER HA H 11 4.312 4.152 0.160 1
1 95 . 4 1 1 A 11 11 SER C C 11 174.888 177.640 -2.752 1
1 96 . 4 1 1 A 11 11 SER CA C 11 61.863 61.654 0.209 1
1 97 . 4 1 1 A 11 11 SER CB C 11 62.638 63.153 -0.515 1
1 98 . 4 1 1 A 11 11 SER N N 11 117.940 115.615 2.325 1
1 99 . 4 1 1 A 12 12 LEU H H 12 8.197 8.334 -0.137 1
1 100 . 4 1 1 A 12 12 LEU HA H 12 4.331 4.105 0.226 1
1 110 . 4 1 1 A 12 12 LEU C C 12 172.791 178.584 -5.793 1
1 111 . 4 1 1 A 12 12 LEU CA C 12 58.035 58.689 -0.654 1
1 112 . 4 1 1 A 12 12 LEU CB C 12 42.062 41.790 0.272 1
1 116 . 4 1 1 A 12 12 LEU N N 12 125.411 122.143 3.268 1
1 117 . 4 1 1 A 13 13 ILE H H 13 8.689 8.204 0.485 1
1 118 . 4 1 1 A 13 13 ILE HA H 13 3.654 3.776 -0.122 1
1 128 . 4 1 1 A 13 13 ILE C C 13 173.945 177.980 -4.035 1
1 129 . 4 1 1 A 13 13 ILE CA C 13 65.287 66.003 -0.716 1
1 130 . 4 1 1 A 13 13 ILE CB C 13 36.843 37.593 -0.750 1
1 134 . 4 1 1 A 13 13 ILE N N 13 121.352 119.691 1.661 1
1 135 . 4 1 1 A 14 14 ALA H H 14 7.692 8.541 -0.849 1
1 136 . 4 1 1 A 14 14 ALA HA H 14 4.218 4.094 0.124 1
1 140 . 4 1 1 A 14 14 ALA C C 14 170.805 179.909 -9.104 1
1 141 . 4 1 1 A 14 14 ALA CA C 14 55.484 55.450 0.034 1
1 142 . 4 1 1 A 14 14 ALA CB C 14 17.698 18.353 -0.655 1
1 143 . 4 1 1 A 14 14 ALA N N 14 121.374 122.891 -1.517 1
1 144 . 4 1 1 A 15 15 LEU H H 15 8.040 8.161 -0.121 1
1 145 . 4 1 1 A 15 15 LEU HA H 15 4.253 3.755 0.498 1
1 152 . 4 1 1 A 15 15 LEU C C 15 171.818 178.803 -6.985 1
1 153 . 4 1 1 A 15 15 LEU CA C 15 58.208 58.043 0.165 1
1 154 . 4 1 1 A 15 15 LEU CB C 15 42.286 41.513 0.773 1
1 157 . 4 1 1 A 15 15 LEU N N 15 121.328 118.529 2.799 1
1 158 . 4 1 1 A 16 16 CYS H H 16 8.587 8.555 0.032 1
1 159 . 4 1 1 A 16 16 CYS HA H 16 3.954 4.108 -0.154 1
1 162 . 4 1 1 A 16 16 CYS C C 16 174.494 176.699 -2.205 1
1 163 . 4 1 1 A 16 16 CYS CA C 16 64.933 63.134 1.799 1
1 164 . 4 1 1 A 16 16 CYS CB C 16 26.960 26.391 0.569 1
1 165 . 4 1 1 A 16 16 CYS N N 16 118.908 118.386 0.522 1
1 166 . 4 1 1 A 17 17 GLU H H 17 8.576 8.565 0.011 1
1 167 . 4 1 1 A 17 17 GLU HA H 17 3.806 4.020 -0.214 1
1 172 . 4 1 1 A 17 17 GLU C C 17 172.225 178.583 -6.358 1
1 173 . 4 1 1 A 17 17 GLU CA C 17 60.306 59.324 0.982 1
1 174 . 4 1 1 A 17 17 GLU CB C 17 29.130 29.254 -0.124 1
1 176 . 4 1 1 A 17 17 GLU N N 17 118.419 120.687 -2.268 1
1 177 . 4 1 1 A 18 18 GLU H H 18 8.156 8.037 0.119 1
1 178 . 4 1 1 A 18 18 GLU HA H 18 4.115 3.984 0.131 1
1 183 . 4 1 1 A 18 18 GLU C C 18 172.241 179.191 -6.950 1
1 184 . 4 1 1 A 18 18 GLU CA C 18 59.507 59.565 -0.058 1
1 185 . 4 1 1 A 18 18 GLU CB C 18 29.335 29.196 0.139 1
1 187 . 4 1 1 A 18 18 GLU N N 18 121.603 119.856 1.747 1
1 188 . 4 1 1 A 19 19 HIS H H 19 8.379 7.872 0.507 1
1 189 . 4 1 1 A 19 19 HIS HA H 19 4.174 4.399 -0.225 1
1 194 . 4 1 1 A 19 19 HIS C C 19 172.511 177.631 -5.120 1
1 195 . 4 1 1 A 19 19 HIS CA C 19 60.525 59.592 0.933 1
1 196 . 4 1 1 A 19 19 HIS CB C 19 31.354 30.065 1.289 1
1 198 . 4 1 1 A 19 19 HIS N N 19 119.634 119.257 0.377 1
1 201 . 4 1 1 A 20 20 ALA H H 20 8.568 8.134 0.434 1
1 202 . 4 1 1 A 20 20 ALA HA H 20 4.143 3.953 0.190 1
1 206 . 4 1 1 A 20 20 ALA C C 20 172.155 179.408 -7.253 1
1 207 . 4 1 1 A 20 20 ALA CA C 20 55.716 55.358 0.358 1
1 208 . 4 1 1 A 20 20 ALA CB C 20 17.682 18.494 -0.812 1
1 209 . 4 1 1 A 20 20 ALA N N 20 122.453 121.564 0.889 1
1 210 . 4 1 1 A 21 21 LYS H H 21 8.055 7.823 0.232 1
1 211 . 4 1 1 A 21 21 LYS HA H 21 4.128 3.871 0.257 1
1 220 . 4 1 1 A 21 21 LYS C C 21 170.753 178.719 -7.966 1
1 221 . 4 1 1 A 21 21 LYS CA C 21 59.469 59.201 0.268 1
1 222 . 4 1 1 A 21 21 LYS CB C 21 32.369 31.931 0.438 1
1 226 . 4 1 1 A 21 21 LYS N N 21 118.604 116.841 1.763 1
1 227 . 4 1 1 A 22 22 LYS H H 22 8.092 7.536 0.556 1
1 228 . 4 1 1 A 22 22 LYS HA H 22 4.100 4.026 0.074 1
1 237 . 4 1 1 A 22 22 LYS C C 22 174.300 178.127 -3.827 1
1 238 . 4 1 1 A 22 22 LYS CA C 22 58.920 59.168 -0.248 1
1 239 . 4 1 1 A 22 22 LYS CB C 22 32.406 32.293 0.113 1
1 243 . 4 1 1 A 22 22 LYS N N 22 119.468 119.643 -0.175 1
1 244 . 4 1 1 A 23 23 ASN H H 23 7.461 7.854 -0.393 1
1 245 . 4 1 1 A 23 23 ASN HA H 23 4.710 4.820 -0.110 1
1 248 . 4 1 1 A 23 23 ASN C C 23 178.526 174.812 3.714 1
1 249 . 4 1 1 A 23 23 ASN CA C 23 53.514 53.215 0.299 1
1 250 . 4 1 1 A 23 23 ASN CB C 23 40.124 38.867 1.257 1
1 251 . 4 1 1 A 23 23 ASN N N 23 115.166 116.972 -1.806 1
1 252 . 4 1 1 A 24 24 GLN H H 24 7.879 7.906 -0.027 1
1 253 . 4 1 1 A 24 24 GLN HA H 24 3.927 3.993 -0.066 1
1 260 . 4 1 1 A 24 24 GLN C C 24 177.284 175.632 1.652 1
1 261 . 4 1 1 A 24 24 GLN CA C 24 57.083 57.075 0.008 1
1 262 . 4 1 1 A 24 24 GLN CB C 24 26.400 26.268 0.132 1
1 264 . 4 1 1 A 24 24 GLN N N 24 116.046 116.503 -0.457 1
1 266 . 4 1 1 A 25 25 ALA H H 25 8.491 8.436 0.055 1
1 267 . 4 1 1 A 25 25 ALA HA H 25 4.600 4.299 0.301 1
1 271 . 4 1 1 A 25 25 ALA C C 25 174.729 178.051 -3.322 1
1 272 . 4 1 1 A 25 25 ALA CA C 25 51.416 54.182 -2.766 1
1 273 . 4 1 1 A 25 25 ALA CB C 25 21.350 19.677 1.673 1
1 274 . 4 1 1 A 25 25 ALA N N 25 120.372 120.835 -0.463 1
1 275 . 4 1 1 A 26 26 HIS H H 26 8.476 8.016 0.460 1
1 276 . 4 1 1 A 26 26 HIS HA H 26 4.736 4.211 0.525 1
1 280 . 4 1 1 A 26 26 HIS C C 26 176.751 173.593 3.158 1
1 281 . 4 1 1 A 26 26 HIS CA C 26 56.211 57.415 -1.204 1
1 282 . 4 1 1 A 26 26 HIS CB C 26 31.838 27.285 4.553 1
1 284 . 4 1 1 A 26 26 HIS N N 26 117.648 112.650 4.998 1
1 285 . 4 1 1 A 27 27 LYS H H 27 7.540 7.428 0.112 1
1 286 . 4 1 1 A 27 27 LYS HA H 27 4.766 4.553 0.213 1
1 295 . 4 1 1 A 27 27 LYS C C 27 176.918 173.813 3.105 1
1 296 . 4 1 1 A 27 27 LYS CA C 27 55.877 55.019 0.858 1
1 297 . 4 1 1 A 27 27 LYS CB C 27 36.796 35.222 1.574 1
1 301 . 4 1 1 A 27 27 LYS N N 27 116.451 114.164 2.287 1
1 302 . 4 1 1 A 28 28 ILE H H 28 8.320 8.183 0.137 1
1 303 . 4 1 1 A 28 28 ILE HA H 28 4.319 4.923 -0.604 1
1 310 . 4 1 1 A 28 28 ILE C C 28 176.921 175.652 1.269 1
1 311 . 4 1 1 A 28 28 ILE CA C 28 60.552 59.537 1.015 1
1 312 . 4 1 1 A 28 28 ILE CB C 28 38.843 41.359 -2.516 1
1 313 . 4 1 1 A 28 28 ILE N N 28 123.140 121.276 1.864 1
1 314 . 4 1 1 A 29 29 GLU H H 29 9.001 9.270 -0.269 1
1 315 . 4 1 1 A 29 29 GLU HA H 29 4.446 4.396 0.050 1
1 320 . 4 1 1 A 29 29 GLU C C 29 174.406 176.316 -1.910 1
1 321 . 4 1 1 A 29 29 GLU CA C 29 57.363 58.157 -0.794 1
1 322 . 4 1 1 A 29 29 GLU CB C 29 31.761 30.858 0.903 1
1 324 . 4 1 1 A 29 29 GLU N N 29 125.872 126.223 -0.351 1
1 325 . 4 1 1 A 30 30 ARG H H 30 7.654 7.630 0.024 1
1 326 . 4 1 1 A 30 30 ARG HA H 30 5.282 5.023 0.259 1
1 334 . 4 1 1 A 30 30 ARG C C 30 178.750 173.690 5.060 1
1 335 . 4 1 1 A 30 30 ARG CA C 30 55.558 54.893 0.665 1
1 336 . 4 1 1 A 30 30 ARG CB C 30 34.774 33.550 1.224 1
1 338 . 4 1 1 A 30 30 ARG N N 30 119.436 115.453 3.983 1
1 340 . 4 1 1 A 31 31 VAL H H 31 9.234 8.798 0.436 1
1 341 . 4 1 1 A 31 31 VAL HA H 31 4.397 4.945 -0.548 1
1 349 . 4 1 1 A 31 31 VAL C C 31 178.662 173.936 4.726 1
1 350 . 4 1 1 A 31 31 VAL CA C 31 60.882 60.275 0.607 1
1 351 . 4 1 1 A 31 31 VAL CB C 31 34.494 34.354 0.140 1
1 354 . 4 1 1 A 31 31 VAL N N 31 127.428 114.703 12.725 1
1 355 . 4 1 1 A 32 32 VAL H H 32 8.626 9.316 -0.690 1
1 356 . 4 1 1 A 32 32 VAL HA H 32 5.039 4.822 0.217 1
1 364 . 4 1 1 A 32 32 VAL C C 32 175.519 175.472 0.047 1
1 365 . 4 1 1 A 32 32 VAL CA C 32 60.917 62.050 -1.133 1
1 366 . 4 1 1 A 32 32 VAL CB C 32 31.892 32.063 -0.171 1
1 368 . 4 1 1 A 32 32 VAL N N 32 126.581 127.759 -1.178 1
1 369 . 4 1 1 A 33 33 VAL H H 33 8.802 9.190 -0.388 1
1 370 . 4 1 1 A 33 33 VAL HA H 33 4.917 4.604 0.313 1
1 378 . 4 1 1 A 33 33 VAL C C 33 178.038 174.914 3.124 1
1 379 . 4 1 1 A 33 33 VAL CA C 33 58.975 60.720 -1.745 1
1 380 . 4 1 1 A 33 33 VAL CB C 33 35.109 35.023 0.086 1
1 383 . 4 1 1 A 33 33 VAL N N 33 122.994 127.729 -4.735 1
1 384 . 4 1 1 A 34 34 GLY H H 34 9.535 9.160 0.375 1
1 385 . 4 1 1 A 34 34 GLY HA2 H 34 5.187 4.072 1.115 1
1 386 . 4 1 1 A 34 34 GLY HA3 H 34 3.404 4.075 -0.671 1
1 387 . 4 1 1 A 34 34 GLY C C 34 178.060 172.593 5.467 1
1 388 . 4 1 1 A 34 34 GLY CA C 34 44.108 44.855 -0.747 1
1 389 . 4 1 1 A 34 34 GLY N N 34 112.269 114.959 -2.690 1
1 390 . 4 1 1 A 35 35 ILE H H 35 8.761 9.554 -0.793 1
1 391 . 4 1 1 A 35 35 ILE HA H 35 4.340 4.676 -0.336 1
1 401 . 4 1 1 A 35 35 ILE C C 35 174.823 176.243 -1.420 1
1 402 . 4 1 1 A 35 35 ILE CA C 35 60.287 59.334 0.953 1
1 403 . 4 1 1 A 35 35 ILE CB C 35 39.357 41.323 -1.966 1
1 407 . 4 1 1 A 35 35 ILE N N 35 123.848 126.007 -2.159 1
1 408 . 4 1 1 A 36 36 GLY H H 36 8.439 8.588 -0.149 1
1 409 . 4 1 1 A 36 36 GLY HA2 H 36 3.321 4.102 -0.781 1
1 410 . 4 1 1 A 36 36 GLY HA3 H 36 4.444 4.106 0.338 1
1 411 . 4 1 1 A 36 36 GLY C C 36 175.743 175.024 0.719 1
1 412 . 4 1 1 A 36 36 GLY CA C 36 46.389 45.944 0.445 1
1 413 . 4 1 1 A 36 36 GLY N N 36 117.219 113.875 3.344 1
1 414 . 4 1 1 A 37 37 GLU H H 37 8.756 8.996 -0.240 1
1 415 . 4 1 1 A 37 37 GLU HA H 37 4.277 4.124 0.153 1
1 420 . 4 1 1 A 37 37 GLU C C 37 174.413 177.177 -2.764 1
1 421 . 4 1 1 A 37 37 GLU CA C 37 58.568 58.495 0.073 1
1 422 . 4 1 1 A 37 37 GLU CB C 37 29.809 29.329 0.480 1
1 424 . 4 1 1 A 37 37 GLU N N 37 124.260 120.561 3.699 1
1 425 . 4 1 1 A 38 38 ARG H H 38 8.483 7.737 0.746 1
1 426 . 4 1 1 A 38 38 ARG HA H 38 4.594 4.345 0.249 1
1 434 . 4 1 1 A 38 38 ARG C C 38 175.250 177.939 -2.689 1
1 435 . 4 1 1 A 38 38 ARG CA C 38 54.916 56.291 -1.375 1
1 436 . 4 1 1 A 38 38 ARG CB C 38 29.706 30.419 -0.713 1
1 439 . 4 1 1 A 38 38 ARG N N 38 117.248 118.984 -1.736 1
1 441 . 4 1 1 A 39 39 SER H H 39 7.630 7.685 -0.055 1
1 442 . 4 1 1 A 39 39 SER HA H 39 4.139 4.257 -0.118 1
1 445 . 4 1 1 A 39 39 SER C C 39 176.694 174.635 2.059 1
1 446 . 4 1 1 A 39 39 SER CA C 39 59.524 60.279 -0.755 1
1 447 . 4 1 1 A 39 39 SER CB C 39 64.248 64.126 0.122 1
1 448 . 4 1 1 A 39 39 SER N N 39 115.086 113.614 1.472 1
1 449 . 4 1 1 A 40 40 ALA H H 40 8.667 7.907 0.760 1
1 450 . 4 1 1 A 40 40 ALA HA H 40 4.267 3.975 0.292 1
1 454 . 4 1 1 A 40 40 ALA C C 40 174.406 176.505 -2.099 1
1 455 . 4 1 1 A 40 40 ALA CA C 40 52.641 53.277 -0.636 1
1 456 . 4 1 1 A 40 40 ALA CB C 40 17.976 17.489 0.487 1
1 457 . 4 1 1 A 40 40 ALA N N 40 126.133 121.610 4.523 1
1 458 . 4 1 1 A 41 41 MET H H 41 7.793 7.337 0.456 1
1 459 . 4 1 1 A 41 41 MET HA H 41 4.389 4.405 -0.016 1
1 467 . 4 1 1 A 41 41 MET C C 41 176.689 175.830 0.859 1
1 468 . 4 1 1 A 41 41 MET CA C 41 55.965 55.353 0.612 1
1 469 . 4 1 1 A 41 41 MET CB C 41 34.761 33.083 1.678 1
1 472 . 4 1 1 A 41 41 MET N N 41 117.758 116.371 1.387 1
1 473 . 4 1 1 A 42 42 ASP H H 42 9.667 8.883 0.784 1
1 474 . 4 1 1 A 42 42 ASP HA H 42 4.706 4.796 -0.090 1
1 477 . 4 1 1 A 42 42 ASP C C 42 174.559 177.145 -2.586 1
1 478 . 4 1 1 A 42 42 ASP CA C 42 53.363 53.279 0.084 1
1 479 . 4 1 1 A 42 42 ASP CB C 42 41.740 38.743 2.997 1
1 480 . 4 1 1 A 42 42 ASP N N 42 125.565 124.629 0.936 1
1 481 . 4 1 1 A 43 43 LYS H H 43 8.928 8.410 0.518 1
1 482 . 4 1 1 A 43 43 LYS HA H 43 3.752 4.173 -0.421 1
1 491 . 4 1 1 A 43 43 LYS C C 43 173.737 178.695 -4.958 1
1 492 . 4 1 1 A 43 43 LYS CA C 43 60.966 59.141 1.825 1
1 493 . 4 1 1 A 43 43 LYS CB C 43 32.585 32.027 0.558 1
1 497 . 4 1 1 A 43 43 LYS N N 43 127.256 119.790 7.466 1
1 498 . 4 1 1 A 44 44 SER H H 44 8.327 7.832 0.495 1
1 499 . 4 1 1 A 44 44 SER HA H 44 4.009 4.305 -0.296 1
1 502 . 4 1 1 A 44 44 SER C C 44 174.032 177.713 -3.681 1
1 503 . 4 1 1 A 44 44 SER CA C 44 62.461 61.202 1.259 1
1 504 . 4 1 1 A 44 44 SER CB C 44 62.281 62.873 -0.592 1
1 505 . 4 1 1 A 44 44 SER N N 44 114.797 115.228 -0.431 1
1 506 . 4 1 1 A 45 45 LEU H H 45 7.878 8.084 -0.206 1
1 507 . 4 1 1 A 45 45 LEU HA H 45 4.254 4.082 0.172 1
1 517 . 4 1 1 A 45 45 LEU C C 45 172.915 179.222 -6.307 1
1 518 . 4 1 1 A 45 45 LEU CA C 45 57.128 57.818 -0.690 1
1 519 . 4 1 1 A 45 45 LEU CB C 45 41.738 42.244 -0.506 1
1 523 . 4 1 1 A 45 45 LEU N N 45 124.570 122.220 2.350 1
1 524 . 4 1 1 A 46 46 PHE H H 46 8.343 8.421 -0.078 1
1 525 . 4 1 1 A 46 46 PHE HA H 46 3.882 4.193 -0.311 1
1 532 . 4 1 1 A 46 46 PHE C C 46 175.104 177.055 -1.951 1
1 533 . 4 1 1 A 46 46 PHE CA C 46 61.820 61.556 0.264 1
1 534 . 4 1 1 A 46 46 PHE CB C 46 40.047 39.254 0.793 1
1 537 . 4 1 1 A 46 46 PHE N N 46 121.059 119.075 1.984 1
1 538 . 4 1 1 A 47 47 VAL H H 47 8.370 8.180 0.190 1
1 539 . 4 1 1 A 47 47 VAL HA H 47 3.466 3.407 0.059 1
1 547 . 4 1 1 A 47 47 VAL C C 47 173.353 177.901 -4.548 1
1 548 . 4 1 1 A 47 47 VAL CA C 47 67.220 64.502 2.718 1
1 549 . 4 1 1 A 47 47 VAL CB C 47 31.927 31.169 0.758 1
1 552 . 4 1 1 A 47 47 VAL N N 47 118.023 119.206 -1.183 1
1 553 . 4 1 1 A 48 48 SER H H 48 7.967 7.995 -0.028 1
1 554 . 4 1 1 A 48 48 SER HA H 48 4.268 4.099 0.169 1
1 557 . 4 1 1 A 48 48 SER C C 48 174.187 177.191 -3.004 1
1 558 . 4 1 1 A 48 48 SER CA C 48 61.789 61.470 0.319 1
1 559 . 4 1 1 A 48 48 SER CB C 48 62.761 63.150 -0.389 1
1 560 . 4 1 1 A 48 48 SER N N 48 114.372 116.855 -2.483 1
1 561 . 4 1 1 A 49 49 ALA H H 49 8.489 8.109 0.380 1
1 562 . 4 1 1 A 49 49 ALA HA H 49 3.931 4.252 -0.321 1
1 566 . 4 1 1 A 49 49 ALA C C 49 172.626 179.429 -6.803 1
1 567 . 4 1 1 A 49 49 ALA CA C 49 55.067 55.042 0.025 1
1 568 . 4 1 1 A 49 49 ALA CB C 49 17.587 18.633 -1.046 1
1 569 . 4 1 1 A 49 49 ALA N N 49 124.199 122.974 1.225 1
1 570 . 4 1 1 A 50 50 PHE H H 50 8.510 8.377 0.133 1
1 571 . 4 1 1 A 50 50 PHE HA H 50 3.763 3.938 -0.175 1
1 578 . 4 1 1 A 50 50 PHE C C 50 174.923 177.404 -2.481 1
1 579 . 4 1 1 A 50 50 PHE CA C 50 63.098 61.579 1.519 1
1 580 . 4 1 1 A 50 50 PHE CB C 50 39.465 38.968 0.497 1
1 583 . 4 1 1 A 50 50 PHE N N 50 120.967 119.596 1.371 1
1 584 . 4 1 1 A 51 51 GLU H H 51 8.561 8.666 -0.105 1
1 585 . 4 1 1 A 51 51 GLU HA H 51 3.717 3.834 -0.117 1
1 590 . 4 1 1 A 51 51 GLU C C 51 173.002 179.322 -6.320 1
1 591 . 4 1 1 A 51 51 GLU CA C 51 59.750 59.479 0.271 1
1 592 . 4 1 1 A 51 51 GLU CB C 51 29.330 29.495 -0.165 1
1 594 . 4 1 1 A 51 51 GLU N N 51 116.915 117.826 -0.911 1
1 595 . 4 1 1 A 52 52 THR H H 52 7.759 8.194 -0.435 1
1 596 . 4 1 1 A 52 52 THR HA H 52 4.090 3.887 0.203 1
1 601 . 4 1 1 A 52 52 THR C C 52 174.897 176.096 -1.199 1
1 602 . 4 1 1 A 52 52 THR CA C 52 65.899 66.545 -0.646 1
1 603 . 4 1 1 A 52 52 THR CB C 52 69.172 68.806 0.366 1
1 605 . 4 1 1 A 52 52 THR N N 52 114.348 117.428 -3.080 1
1 606 . 4 1 1 A 53 53 PHE H H 53 8.725 8.045 0.680 1
1 607 . 4 1 1 A 53 53 PHE HA H 53 4.335 4.343 -0.008 1
1 614 . 4 1 1 A 53 53 PHE C C 53 172.389 177.473 -5.084 1
1 615 . 4 1 1 A 53 53 PHE CA C 53 60.011 60.192 -0.181 1
1 616 . 4 1 1 A 53 53 PHE CB C 53 38.244 37.756 0.488 1
1 619 . 4 1 1 A 53 53 PHE N N 53 120.493 118.095 2.398 1
1 620 . 4 1 1 A 54 54 ARG H H 54 8.579 8.094 0.485 1
1 621 . 4 1 1 A 54 54 ARG HA H 54 3.626 3.841 -0.215 1
1 625 . 4 1 1 A 54 54 ARG C C 54 175.195 177.442 -2.247 1
1 626 . 4 1 1 A 54 54 ARG CA C 54 59.252 58.234 1.018 1
1 627 . 4 1 1 A 54 54 ARG CB C 54 26.544 29.563 -3.019 1
1 629 . 4 1 1 A 54 54 ARG N N 54 119.132 118.772 0.360 1
1 631 . 4 1 1 A 55 55 GLU H H 55 6.758 8.389 -1.631 1
1 632 . 4 1 1 A 55 55 GLU HA H 55 3.983 4.077 -0.094 1
1 637 . 4 1 1 A 55 55 GLU C C 55 174.356 178.129 -3.773 1
1 638 . 4 1 1 A 55 55 GLU CA C 55 58.002 59.000 -0.998 1
1 639 . 4 1 1 A 55 55 GLU CB C 55 29.865 29.116 0.749 1
1 641 . 4 1 1 A 55 55 GLU N N 55 115.466 118.607 -3.141 1
1 642 . 4 1 1 A 56 56 GLU H H 56 7.245 7.790 -0.545 1
1 643 . 4 1 1 A 56 56 GLU HA H 56 4.294 4.170 0.124 1
1 648 . 4 1 1 A 56 56 GLU C C 56 175.946 175.831 0.115 1
1 649 . 4 1 1 A 56 56 GLU CA C 56 55.827 58.105 -2.278 1
1 650 . 4 1 1 A 56 56 GLU CB C 56 30.030 30.004 0.026 1
1 652 . 4 1 1 A 56 56 GLU N N 56 114.653 117.786 -3.133 1
1 653 . 4 1 1 A 57 57 SER H H 57 7.405 7.316 0.089 1
1 654 . 4 1 1 A 57 57 SER HA H 57 4.707 4.845 -0.138 1
1 657 . 4 1 1 A 57 57 SER C C 57 176.895 174.210 2.685 1
1 658 . 4 1 1 A 57 57 SER CA C 57 55.456 57.608 -2.152 1
1 659 . 4 1 1 A 57 57 SER CB C 57 64.059 65.246 -1.187 1
1 660 . 4 1 1 A 57 57 SER N N 57 114.312 115.231 -0.919 1
1 661 . 4 1 1 A 58 58 LEU H H 58 8.819 8.941 -0.122 1
1 662 . 4 1 1 A 58 58 LEU HA H 58 4.120 4.093 0.027 1
1 672 . 4 1 1 A 58 58 LEU C C 58 172.006 178.980 -6.974 1
1 673 . 4 1 1 A 58 58 LEU CA C 58 58.438 57.740 0.698 1
1 674 . 4 1 1 A 58 58 LEU CB C 58 41.839 41.407 0.432 1
1 678 . 4 1 1 A 58 58 LEU N N 58 129.477 127.686 1.791 1
1 679 . 4 1 1 A 59 59 VAL H H 59 7.929 7.851 0.078 1
1 680 . 4 1 1 A 59 59 VAL HA H 59 4.305 4.205 0.100 1
1 688 . 4 1 1 A 59 59 VAL C C 59 173.624 177.812 -4.188 1
1 689 . 4 1 1 A 59 59 VAL CA C 59 64.028 64.128 -0.100 1
1 690 . 4 1 1 A 59 59 VAL CB C 59 33.135 31.206 1.929 1
1 693 . 4 1 1 A 59 59 VAL N N 59 112.367 114.622 -2.255 1
1 694 . 4 1 1 A 60 60 CYS H H 60 7.786 8.033 -0.247 1
1 695 . 4 1 1 A 60 60 CYS HA H 60 4.589 4.491 0.098 1
1 698 . 4 1 1 A 60 60 CYS C C 60 176.508 176.515 -0.007 1
1 699 . 4 1 1 A 60 60 CYS CA C 60 59.907 60.503 -0.596 1
1 700 . 4 1 1 A 60 60 CYS CB C 60 28.211 27.578 0.633 1
1 701 . 4 1 1 A 60 60 CYS N N 60 115.412 120.042 -4.630 1
1 702 . 4 1 1 A 61 61 LYS H H 61 7.415 7.949 -0.534 1
1 703 . 4 1 1 A 61 61 LYS HA H 61 3.820 4.007 -0.187 1
1 712 . 4 1 1 A 61 61 LYS C C 61 175.812 178.041 -2.229 1
1 713 . 4 1 1 A 61 61 LYS CA C 61 60.389 59.446 0.943 1
1 714 . 4 1 1 A 61 61 LYS CB C 61 32.606 32.360 0.246 1
1 718 . 4 1 1 A 61 61 LYS N N 61 120.942 120.524 0.418 1
1 719 . 4 1 1 A 62 62 ASP C C 62 175.254 176.081 -0.827 1
1 720 . 4 1 1 A 62 62 ASP CA C 62 55.159 54.779 0.380 1
1 721 . 4 1 1 A 62 62 ASP CB C 62 42.358 41.555 0.803 1
1 722 . 4 1 1 A 64 64 ILE H H 64 7.784 8.538 -0.754 1
1 723 . 4 1 1 A 64 64 ILE HA H 64 4.126 4.874 -0.748 1
1 733 . 4 1 1 A 64 64 ILE C C 64 177.456 174.605 2.851 1
1 734 . 4 1 1 A 64 64 ILE CA C 64 60.516 59.921 0.595 1
1 735 . 4 1 1 A 64 64 ILE CB C 64 39.990 42.575 -2.585 1
1 739 . 4 1 1 A 64 64 ILE N N 64 122.653 120.115 2.538 1
1 740 . 4 1 1 A 65 65 LEU H H 65 8.357 8.785 -0.428 1
1 741 . 4 1 1 A 65 65 LEU HA H 65 4.858 4.546 0.312 1
1 751 . 4 1 1 A 65 65 LEU C C 65 176.625 175.118 1.507 1
1 752 . 4 1 1 A 65 65 LEU CA C 65 53.315 54.349 -1.034 1
1 753 . 4 1 1 A 65 65 LEU CB C 65 43.307 43.462 -0.155 1
1 757 . 4 1 1 A 65 65 LEU N N 65 128.311 129.749 -1.438 1
1 758 . 4 1 1 A 66 66 ASP H H 66 9.088 9.139 -0.051 1
1 759 . 4 1 1 A 66 66 ASP HA H 66 5.009 5.127 -0.118 1
1 762 . 4 1 1 A 66 66 ASP C C 66 177.504 174.666 2.838 1
1 763 . 4 1 1 A 66 66 ASP CA C 66 53.137 52.664 0.473 1
1 764 . 4 1 1 A 66 66 ASP CB C 66 44.234 41.704 2.530 1
1 765 . 4 1 1 A 66 66 ASP N N 66 129.457 128.118 1.339 1
1 766 . 4 1 1 A 67 67 ILE H H 67 8.240 8.525 -0.285 1
1 767 . 4 1 1 A 67 67 ILE HA H 67 4.759 4.427 0.332 1
1 777 . 4 1 1 A 67 67 ILE C C 67 175.569 175.451 0.118 1
1 778 . 4 1 1 A 67 67 ILE CA C 67 59.640 61.915 -2.275 1
1 779 . 4 1 1 A 67 67 ILE CB C 67 39.948 37.843 2.105 1
1 783 . 4 1 1 A 67 67 ILE N N 67 120.821 125.621 -4.800 1
1 784 . 4 1 1 A 68 68 VAL H H 68 9.310 9.290 0.020 1
1 785 . 4 1 1 A 68 68 VAL HA H 68 4.149 4.481 -0.332 1
1 793 . 4 1 1 A 68 68 VAL C C 68 176.697 174.463 2.234 1
1 794 . 4 1 1 A 68 68 VAL CA C 68 60.707 61.115 -0.408 1
1 795 . 4 1 1 A 68 68 VAL CB C 68 34.121 33.698 0.423 1
1 798 . 4 1 1 A 68 68 VAL N N 68 130.182 128.690 1.492 1
1 799 . 4 1 1 A 69 69 ASP H H 69 8.577 8.839 -0.262 1
1 800 . 4 1 1 A 69 69 ASP HA H 69 4.847 4.980 -0.133 1
1 803 . 4 1 1 A 69 69 ASP C C 69 175.713 175.613 0.100 1
1 804 . 4 1 1 A 69 69 ASP CA C 69 54.357 53.574 0.783 1
1 805 . 4 1 1 A 69 69 ASP CB C 69 41.353 40.236 1.117 1
1 806 . 4 1 1 A 69 69 ASP N N 69 127.151 127.906 -0.755 1
1 807 . 4 1 1 A 70 70 GLU H H 70 7.857 8.781 -0.924 1
1 808 . 4 1 1 A 70 70 GLU HA H 70 4.563 4.535 0.028 1
1 813 . 4 1 1 A 70 70 GLU C C 70 176.179 176.661 -0.482 1
1 814 . 4 1 1 A 70 70 GLU CA C 70 56.333 56.118 0.215 1
1 815 . 4 1 1 A 70 70 GLU CB C 70 31.503 30.285 1.218 1
1 817 . 4 1 1 A 70 70 GLU N N 70 123.503 125.271 -1.768 1
1 818 . 4 1 1 A 71 71 LYS H H 71 8.517 8.417 0.100 1
1 819 . 4 1 1 A 71 71 LYS HA H 71 4.261 4.355 -0.094 1
1 828 . 4 1 1 A 71 71 LYS C C 71 175.084 176.736 -1.652 1
1 829 . 4 1 1 A 71 71 LYS CA C 71 55.210 56.853 -1.643 1
1 830 . 4 1 1 A 71 71 LYS CB C 71 33.019 32.512 0.507 1
1 834 . 4 1 1 A 71 71 LYS N N 71 124.197 123.113 1.084 1
1 835 . 4 1 1 A 72 72 VAL H H 72 8.612 8.331 0.281 1
1 836 . 4 1 1 A 72 72 VAL HA H 72 4.277 4.506 -0.229 1
1 844 . 4 1 1 A 72 72 VAL C C 72 176.529 175.506 1.023 1
1 845 . 4 1 1 A 72 72 VAL CA C 72 63.133 62.481 0.652 1
1 846 . 4 1 1 A 72 72 VAL CB C 72 32.188 32.264 -0.076 1
1 849 . 4 1 1 A 72 72 VAL N N 72 119.616 123.996 -4.380 1
1 850 . 4 1 1 A 73 73 GLU H H 73 7.750 8.741 -0.991 1
1 851 . 4 1 1 A 73 73 GLU HA H 73 4.469 4.760 -0.291 1
1 856 . 4 1 1 A 73 73 GLU C C 73 178.456 174.255 4.201 1
1 857 . 4 1 1 A 73 73 GLU CA C 73 55.241 54.923 0.318 1
1 858 . 4 1 1 A 73 73 GLU CB C 73 34.536 33.960 0.576 1
1 860 . 4 1 1 A 73 73 GLU N N 73 126.126 124.979 1.147 1
1 861 . 4 1 1 A 74 74 LEU H H 74 8.495 9.156 -0.661 1
1 862 . 4 1 1 A 74 74 LEU HA H 74 5.207 5.004 0.203 1
1 869 . 4 1 1 A 74 74 LEU C C 74 176.827 176.073 0.754 1
1 870 . 4 1 1 A 74 74 LEU CA C 74 52.600 53.183 -0.583 1
1 871 . 4 1 1 A 74 74 LEU CB C 74 45.404 43.094 2.310 1
1 874 . 4 1 1 A 74 74 LEU N N 74 123.821 126.034 -2.213 1
1 875 . 4 1 1 A 75 75 GLU H H 75 8.770 8.736 0.034 1
1 876 . 4 1 1 A 75 75 GLU HA H 75 5.127 4.517 0.610 1
1 881 . 4 1 1 A 75 75 GLU C C 75 176.617 175.457 1.160 1
1 882 . 4 1 1 A 75 75 GLU CA C 75 53.748 55.273 -1.525 1
1 883 . 4 1 1 A 75 75 GLU CB C 75 33.910 31.095 2.815 1
1 885 . 4 1 1 A 75 75 GLU N N 75 118.723 123.997 -5.274 1
1 886 . 4 1 1 A 76 76 CYS H H 76 9.354 8.599 0.755 1
1 887 . 4 1 1 A 76 76 CYS HA H 76 4.665 4.586 0.079 1
1 890 . 4 1 1 A 76 76 CYS C C 76 173.085 175.648 -2.563 1
1 891 . 4 1 1 A 76 76 CYS CA C 76 59.386 58.520 0.866 1
1 892 . 4 1 1 A 76 76 CYS CB C 76 32.476 28.746 3.730 1
1 893 . 4 1 1 A 76 76 CYS N N 76 128.378 121.245 7.133 1
1 894 . 4 1 1 A 77 77 LYS H H 77 9.328 8.716 0.612 1
1 895 . 4 1 1 A 77 77 LYS HA H 77 4.279 4.127 0.152 1
1 904 . 4 1 1 A 77 77 LYS C C 77 174.709 176.902 -2.193 1
1 905 . 4 1 1 A 77 77 LYS CA C 77 56.997 58.957 -1.960 1
1 906 . 4 1 1 A 77 77 LYS CB C 77 31.240 32.579 -1.339 1
1 910 . 4 1 1 A 77 77 LYS N N 77 129.264 125.184 4.080 1
1 911 . 4 1 1 A 78 78 ASP H H 78 9.182 8.292 0.890 1
1 912 . 4 1 1 A 78 78 ASP HA H 78 4.945 4.754 0.191 1
1 915 . 4 1 1 A 78 78 ASP C C 78 173.961 174.627 -0.666 1
1 916 . 4 1 1 A 78 78 ASP CA C 78 56.797 53.344 3.453 1
1 917 . 4 1 1 A 78 78 ASP CB C 78 42.214 40.977 1.237 1
1 918 . 4 1 1 A 78 78 ASP N N 78 122.206 117.803 4.403 1
1 919 . 4 1 1 A 79 79 CYS H H 79 9.871 7.964 1.907 1
1 920 . 4 1 1 A 79 79 CYS HA H 79 5.165 4.820 0.345 1
1 923 . 4 1 1 A 79 79 CYS C C 79 174.253 172.639 1.614 1
1 924 . 4 1 1 A 79 79 CYS CA C 79 59.123 57.737 1.386 1
1 925 . 4 1 1 A 79 79 CYS CB C 79 32.286 30.433 1.853 1
1 926 . 4 1 1 A 79 79 CYS N N 79 124.020 121.295 2.725 1
1 927 . 4 1 1 A 80 80 SER H H 80 7.667 8.682 -1.015 1
1 928 . 4 1 1 A 80 80 SER HA H 80 4.564 4.877 -0.313 1
1 931 . 4 1 1 A 80 80 SER C C 80 178.621 173.509 5.112 1
1 932 . 4 1 1 A 80 80 SER CA C 80 62.038 57.261 4.777 1
1 933 . 4 1 1 A 80 80 SER CB C 80 62.215 64.395 -2.180 1
1 934 . 4 1 1 A 80 80 SER N N 80 115.904 115.343 0.561 1
1 935 . 4 1 1 A 81 81 HIS H H 81 8.916 7.568 1.348 1
1 936 . 4 1 1 A 81 81 HIS HA H 81 4.649 5.012 -0.363 1
1 941 . 4 1 1 A 81 81 HIS C C 81 178.299 173.105 5.194 1
1 942 . 4 1 1 A 81 81 HIS CA C 81 58.348 54.941 3.407 1
1 943 . 4 1 1 A 81 81 HIS CB C 81 33.016 33.554 -0.538 1
1 946 . 4 1 1 A 81 81 HIS N N 81 125.397 120.583 4.814 1
1 949 . 4 1 1 A 82 82 VAL H H 82 7.058 7.815 -0.757 1
1 950 . 4 1 1 A 82 82 VAL HA H 82 5.212 4.640 0.572 1
1 958 . 4 1 1 A 82 82 VAL C C 82 176.161 173.952 2.209 1
1 959 . 4 1 1 A 82 82 VAL CA C 82 60.567 60.667 -0.100 1
1 960 . 4 1 1 A 82 82 VAL CB C 82 34.355 35.730 -1.375 1
1 963 . 4 1 1 A 82 82 VAL N N 82 125.314 124.127 1.187 1
1 964 . 4 1 1 A 83 83 PHE H H 83 8.883 8.631 0.252 1
1 965 . 4 1 1 A 83 83 PHE HA H 83 4.842 5.267 -0.425 1
1 972 . 4 1 1 A 83 83 PHE C C 83 179.687 172.794 6.893 1
1 973 . 4 1 1 A 83 83 PHE CA C 83 55.495 55.428 0.067 1
1 974 . 4 1 1 A 83 83 PHE CB C 83 40.651 41.757 -1.106 1
1 978 . 4 1 1 A 83 83 PHE N N 83 122.377 122.410 -0.033 1
1 979 . 4 1 1 A 84 84 LYS H H 84 8.658 8.859 -0.201 1
1 980 . 4 1 1 A 84 84 LYS HA H 84 5.001 4.985 0.016 1
1 989 . 4 1 1 A 84 84 LYS C C 84 176.705 174.868 1.837 1
1 990 . 4 1 1 A 84 84 LYS CA C 84 52.738 53.821 -1.083 1
1 991 . 4 1 1 A 84 84 LYS CB C 84 32.660 34.280 -1.620 1
1 995 . 4 1 1 A 84 84 LYS N N 84 121.116 117.856 3.260 1
1 996 . 4 1 1 A 85 85 PRO HA H 85 4.663 4.993 -0.330 1
1 1003 . 4 1 1 A 85 85 PRO C C 85 174.722 176.202 -1.480 1
1 1004 . 4 1 1 A 85 85 PRO CA C 85 62.633 62.724 -0.091 1
1 1005 . 4 1 1 A 85 85 PRO CB C 85 32.712 31.755 0.957 1
1 1008 . 4 1 1 A 86 86 ASN H H 86 8.983 8.746 0.237 1
1 1009 . 4 1 1 A 86 86 ASN HA H 86 4.704 5.180 -0.476 1
1 1014 . 4 1 1 A 86 86 ASN C C 86 176.576 174.798 1.778 1
1 1015 . 4 1 1 A 86 86 ASN CA C 86 53.552 51.347 2.205 1
1 1016 . 4 1 1 A 86 86 ASN CB C 86 39.208 42.452 -3.244 1
1 1017 . 4 1 1 A 86 86 ASN N N 86 119.549 121.734 -2.185 1
1 1019 . 4 1 1 A 87 87 ALA H H 87 8.122 8.508 -0.386 1
1 1020 . 4 1 1 A 87 87 ALA HA H 87 4.369 3.827 0.542 1
1 1024 . 4 1 1 A 87 87 ALA C C 87 174.154 176.899 -2.745 1
1 1025 . 4 1 1 A 87 87 ALA CA C 87 52.560 54.152 -1.592 1
1 1026 . 4 1 1 A 87 87 ALA CB C 87 19.660 17.352 2.308 1
1 1027 . 4 1 1 A 87 87 ALA N N 87 122.483 121.072 1.411 1
1 1028 . 4 1 1 A 88 88 LEU H H 88 8.195 8.284 -0.089 1
1 1029 . 4 1 1 A 88 88 LEU HA H 88 4.192 4.375 -0.183 1
1 1039 . 4 1 1 A 88 88 LEU C C 88 174.871 177.942 -3.071 1
1 1040 . 4 1 1 A 88 88 LEU CA C 88 55.691 55.463 0.228 1
1 1041 . 4 1 1 A 88 88 LEU CB C 88 41.708 43.371 -1.663 1
1 1045 . 4 1 1 A 88 88 LEU N N 88 118.730 118.139 0.591 1
1 1046 . 4 1 1 A 89 89 ASP H H 89 7.902 8.122 -0.220 1
1 1047 . 4 1 1 A 89 89 ASP HA H 89 4.601 4.404 0.197 1
1 1050 . 4 1 1 A 89 89 ASP C C 89 175.940 176.508 -0.568 1
1 1051 . 4 1 1 A 89 89 ASP CA C 89 53.641 56.489 -2.848 1
1 1052 . 4 1 1 A 89 89 ASP CB C 89 40.953 40.877 0.076 1
1 1053 . 4 1 1 A 89 89 ASP N N 89 118.577 119.825 -1.248 1
1 1054 . 4 1 1 A 90 90 TYR H H 90 7.922 7.241 0.681 1
1 1055 . 4 1 1 A 90 90 TYR HA H 90 4.551 4.775 -0.224 1
1 1062 . 4 1 1 A 90 90 TYR C C 90 175.338 176.541 -1.203 1
1 1063 . 4 1 1 A 90 90 TYR CA C 90 57.505 57.169 0.336 1
1 1064 . 4 1 1 A 90 90 TYR CB C 90 38.147 39.131 -0.984 1
1 1067 . 4 1 1 A 90 90 TYR N N 90 121.632 112.696 8.936 1
1 1068 . 4 1 1 A 91 91 GLY H H 91 8.313 7.903 0.410 1
1 1069 . 4 1 1 A 91 91 GLY HA2 H 91 3.966 3.812 0.154 1
1 1070 . 4 1 1 A 91 91 GLY HA3 H 91 3.784 3.871 -0.087 1
1 1071 . 4 1 1 A 91 91 GLY C C 91 178.622 174.244 4.378 1
1 1072 . 4 1 1 A 91 91 GLY CA C 91 45.916 45.187 0.729 1
1 1073 . 4 1 1 A 91 91 GLY N N 91 108.097 109.330 -1.233 1
1 1074 . 4 1 1 A 92 92 VAL H H 92 7.078 7.583 -0.505 1
1 1075 . 4 1 1 A 92 92 VAL HA H 92 4.810 4.304 0.506 1
1 1083 . 4 1 1 A 92 92 VAL C C 92 176.954 175.774 1.180 1
1 1084 . 4 1 1 A 92 92 VAL CA C 92 59.083 61.619 -2.536 1
1 1085 . 4 1 1 A 92 92 VAL CB C 92 35.602 33.275 2.327 1
1 1088 . 4 1 1 A 92 92 VAL N N 92 113.901 117.073 -3.172 1
1 1089 . 4 1 1 A 93 93 CYS H H 93 9.086 8.304 0.782 1
1 1090 . 4 1 1 A 93 93 CYS HA H 93 4.118 4.681 -0.563 1
1 1093 . 4 1 1 A 93 93 CYS C C 93 173.477 176.184 -2.707 1
1 1094 . 4 1 1 A 93 93 CYS CA C 93 60.511 60.136 0.375 1
1 1095 . 4 1 1 A 93 93 CYS CB C 93 31.124 28.711 2.413 1
1 1096 . 4 1 1 A 93 93 CYS N N 93 126.248 122.259 3.989 1
1 1097 . 4 1 1 A 94 94 GLU H H 94 5.667 8.877 -3.210 1
1 1098 . 4 1 1 A 94 94 GLU HA H 94 4.073 3.974 0.099 1
1 1103 . 4 1 1 A 94 94 GLU C C 94 176.973 178.384 -1.411 1
1 1104 . 4 1 1 A 94 94 GLU CA C 94 57.434 59.577 -2.143 1
1 1105 . 4 1 1 A 94 94 GLU CB C 94 28.813 29.219 -0.406 1
1 1107 . 4 1 1 A 94 94 GLU N N 94 126.541 127.526 -0.985 1
1 1108 . 4 1 1 A 95 95 LYS H H 95 9.002 7.647 1.355 1
1 1109 . 4 1 1 A 95 95 LYS HA H 95 4.076 4.094 -0.018 1
1 1118 . 4 1 1 A 95 95 LYS C C 95 174.890 176.651 -1.761 1
1 1119 . 4 1 1 A 95 95 LYS CA C 95 57.782 58.832 -1.050 1
1 1120 . 4 1 1 A 95 95 LYS CB C 95 34.056 32.771 1.285 1
1 1124 . 4 1 1 A 95 95 LYS N N 95 123.753 119.031 4.722 1
1 1125 . 4 1 1 A 96 96 CYS H H 96 9.063 7.522 1.541 1
1 1126 . 4 1 1 A 96 96 CYS HA H 96 4.755 4.591 0.164 1
1 1129 . 4 1 1 A 96 96 CYS C C 96 174.775 173.538 1.237 1
1 1130 . 4 1 1 A 96 96 CYS CA C 96 58.756 57.213 1.543 1
1 1131 . 4 1 1 A 96 96 CYS CB C 96 32.066 29.372 2.694 1
1 1132 . 4 1 1 A 96 96 CYS N N 96 120.699 114.927 5.772 1
1 1133 . 4 1 1 A 97 97 HIS H H 97 7.541 8.560 -1.019 1
1 1134 . 4 1 1 A 97 97 HIS HA H 97 4.474 4.805 -0.331 1
1 1139 . 4 1 1 A 97 97 HIS C C 97 178.193 174.516 3.677 1
1 1140 . 4 1 1 A 97 97 HIS CA C 97 57.481 54.759 2.722 1
1 1141 . 4 1 1 A 97 97 HIS CB C 97 27.126 27.603 -0.477 1
1 1144 . 4 1 1 A 97 97 HIS N N 97 116.676 125.345 -8.669 1
1 1147 . 4 1 1 A 98 98 SER H H 98 8.775 8.162 0.613 1
1 1148 . 4 1 1 A 98 98 SER HA H 98 4.322 5.005 -0.683 1
1 1151 . 4 1 1 A 98 98 SER C C 98 176.432 173.678 2.754 1
1 1152 . 4 1 1 A 98 98 SER CA C 98 58.923 57.577 1.346 1
1 1153 . 4 1 1 A 98 98 SER CB C 98 64.790 67.111 -2.321 1
1 1154 . 4 1 1 A 98 98 SER N N 98 116.989 117.552 -0.563 1
1 1155 . 4 1 1 A 99 99 LYS H H 99 8.567 8.793 -0.226 1
1 1156 . 4 1 1 A 99 99 LYS HA H 99 4.935 4.574 0.361 1
1 1165 . 4 1 1 A 99 99 LYS C C 99 173.648 177.262 -3.614 1
1 1166 . 4 1 1 A 99 99 LYS CA C 99 56.417 56.622 -0.205 1
1 1167 . 4 1 1 A 99 99 LYS CB C 99 32.366 31.948 0.418 1
1 1171 . 4 1 1 A 99 99 LYS N N 99 122.510 124.666 -2.156 1
1 1172 . 4 1 1 A 100 100 ASN H H 100 9.426 8.335 1.091 1
1 1173 . 4 1 1 A 100 100 ASN HA H 100 4.916 4.574 0.342 1
1 1178 . 4 1 1 A 100 100 ASN C C 100 178.498 175.518 2.980 1
1 1179 . 4 1 1 A 100 100 ASN CA C 100 51.999 54.186 -2.187 1
1 1180 . 4 1 1 A 100 100 ASN CB C 100 36.539 37.489 -0.950 1
1 1181 . 4 1 1 A 100 100 ASN N N 100 124.489 118.104 6.385 1
1 1183 . 4 1 1 A 101 101 VAL H H 101 7.627 7.434 0.193 1
1 1184 . 4 1 1 A 101 101 VAL HA H 101 5.329 4.119 1.210 1
1 1192 . 4 1 1 A 101 101 VAL C C 101 175.484 176.011 -0.527 1
1 1193 . 4 1 1 A 101 101 VAL CA C 101 58.253 62.271 -4.018 1
1 1194 . 4 1 1 A 101 101 VAL CB C 101 34.692 32.457 2.235 1
1 1197 . 4 1 1 A 101 101 VAL N N 101 112.585 119.417 -6.832 1
1 1198 . 4 1 1 A 102 102 ILE H H 102 9.032 8.853 0.179 1
1 1199 . 4 1 1 A 102 102 ILE HA H 102 4.671 4.821 -0.150 1
1 1209 . 4 1 1 A 102 102 ILE C C 102 177.283 174.465 2.818 1
1 1210 . 4 1 1 A 102 102 ILE CA C 102 58.979 58.587 0.392 1
1 1211 . 4 1 1 A 102 102 ILE CB C 102 41.970 41.797 0.173 1
1 1215 . 4 1 1 A 102 102 ILE N N 102 119.819 120.380 -0.561 1
1 1216 . 4 1 1 A 103 103 ILE H H 103 8.364 8.936 -0.572 1
1 1217 . 4 1 1 A 103 103 ILE HA H 103 4.527 4.209 0.318 1
1 1227 . 4 1 1 A 103 103 ILE C C 103 174.186 176.461 -2.275 1
1 1228 . 4 1 1 A 103 103 ILE CA C 103 61.366 61.277 0.089 1
1 1229 . 4 1 1 A 103 103 ILE CB C 103 38.577 36.865 1.712 1
1 1233 . 4 1 1 A 103 103 ILE N N 103 123.325 125.030 -1.705 1
1 1234 . 4 1 1 A 104 104 THR H H 104 8.796 8.710 0.086 1
1 1235 . 4 1 1 A 104 104 THR HA H 104 4.260 4.342 -0.082 1
1 1240 . 4 1 1 A 104 104 THR C C 104 176.317 173.909 2.408 1
1 1241 . 4 1 1 A 104 104 THR CA C 104 62.708 63.478 -0.770 1
1 1242 . 4 1 1 A 104 104 THR CB C 104 68.431 69.531 -1.100 1
1 1244 . 4 1 1 A 104 104 THR N N 104 120.825 123.572 -2.747 1
1 1245 . 4 1 1 A 105 105 GLN H H 105 7.705 7.220 0.485 1
1 1246 . 4 1 1 A 105 105 GLN HA H 105 4.482 4.505 -0.023 1
1 1253 . 4 1 1 A 105 105 GLN C C 105 177.316 175.226 2.090 1
1 1254 . 4 1 1 A 105 105 GLN CA C 105 55.621 55.531 0.090 1
1 1255 . 4 1 1 A 105 105 GLN CB C 105 31.897 31.448 0.449 1
1 1257 . 4 1 1 A 105 105 GLN N N 105 118.599 120.084 -1.485 1
1 1259 . 4 1 1 A 106 106 GLY H H 106 9.091 8.857 0.234 1
1 1260 . 4 1 1 A 106 106 GLY HA2 H 106 3.472 3.986 -0.514 1
1 1261 . 4 1 1 A 106 106 GLY HA3 H 106 4.255 3.988 0.267 1
1 1262 . 4 1 1 A 106 106 GLY C C 106 178.226 175.247 2.979 1
1 1263 . 4 1 1 A 106 106 GLY CA C 106 45.497 45.811 -0.314 1
1 1264 . 4 1 1 A 106 106 GLY N N 106 106.938 114.972 -8.034 1
1 1265 . 4 1 1 A 107 107 ASN H H 107 8.542 7.987 0.555 1
1 1266 . 4 1 1 A 107 107 ASN HA H 107 4.670 4.348 0.322 1
1 1271 . 4 1 1 A 107 107 ASN C C 107 176.917 175.088 1.829 1
1 1272 . 4 1 1 A 107 107 ASN CA C 107 52.697 55.875 -3.178 1
1 1273 . 4 1 1 A 107 107 ASN CB C 107 39.745 39.107 0.638 1
1 1274 . 4 1 1 A 107 107 ASN N N 107 117.838 120.129 -2.291 1
1 1276 . 4 1 1 A 108 108 GLU H H 108 8.050 7.666 0.384 1
1 1277 . 4 1 1 A 108 108 GLU HA H 108 4.638 4.625 0.013 1
1 1282 . 4 1 1 A 108 108 GLU C C 108 176.463 174.314 2.149 1
1 1283 . 4 1 1 A 108 108 GLU CA C 108 55.693 55.096 0.597 1
1 1284 . 4 1 1 A 108 108 GLU CB C 108 32.643 32.277 0.366 1
1 1286 . 4 1 1 A 108 108 GLU N N 108 118.542 114.517 4.025 1
1 1287 . 4 1 1 A 109 109 MET H H 109 8.431 9.021 -0.590 1
1 1288 . 4 1 1 A 109 109 MET HA H 109 5.236 5.421 -0.185 1
1 1296 . 4 1 1 A 109 109 MET C C 109 176.443 174.845 1.598 1
1 1297 . 4 1 1 A 109 109 MET CA C 109 54.801 53.120 1.681 1
1 1298 . 4 1 1 A 109 109 MET CB C 109 33.115 35.364 -2.249 1
1 1301 . 4 1 1 A 109 109 MET N N 109 121.401 119.402 1.999 1
1 1302 . 4 1 1 A 110 110 ARG H H 110 9.166 8.804 0.362 1
1 1303 . 4 1 1 A 110 110 ARG HA H 110 4.771 4.953 -0.182 1
1 1311 . 4 1 1 A 110 110 ARG C C 110 177.215 175.070 2.145 1
1 1312 . 4 1 1 A 110 110 ARG CA C 110 54.826 54.317 0.509 1
1 1313 . 4 1 1 A 110 110 ARG CB C 110 33.474 33.470 0.004 1
1 1316 . 4 1 1 A 110 110 ARG N N 110 123.271 118.795 4.476 1
1 1318 . 4 1 1 A 111 111 LEU H H 111 8.874 8.528 0.346 1
1 1319 . 4 1 1 A 111 111 LEU HA H 111 4.335 4.409 -0.074 1
1 1329 . 4 1 1 A 111 111 LEU C C 111 175.976 176.327 -0.351 1
1 1330 . 4 1 1 A 111 111 LEU CA C 111 55.633 54.998 0.635 1
1 1331 . 4 1 1 A 111 111 LEU CB C 111 42.413 43.146 -0.733 1
1 1335 . 4 1 1 A 111 111 LEU N N 111 125.212 118.253 6.959 1
1 1336 . 4 1 1 A 112 112 LEU HA H 112 4.432 4.516 -0.084 1
1 1346 . 4 1 1 A 112 112 LEU C C 112 173.898 176.120 -2.222 1
1 1347 . 4 1 1 A 112 112 LEU CA C 112 56.230 56.241 -0.011 1
1 1348 . 4 1 1 A 112 112 LEU CB C 112 42.688 45.067 -2.379 1
1 1352 . 4 1 1 A 113 113 SER H H 113 7.895 7.600 0.295 1
1 1353 . 4 1 1 A 113 113 SER HA H 113 4.509 4.783 -0.274 1
1 1356 . 4 1 1 A 113 113 SER C C 113 180.240 172.103 8.137 1
1 1357 . 4 1 1 A 113 113 SER CA C 113 58.129 57.586 0.543 1
1 1358 . 4 1 1 A 113 113 SER CB C 113 64.473 65.493 -1.020 1
1 1359 . 4 1 1 A 113 113 SER N N 113 110.894 110.215 0.679 1
1 1360 . 4 1 1 A 114 114 LEU H H 114 8.151 8.295 -0.144 1
1 1361 . 4 1 1 A 114 114 LEU HA H 114 5.086 5.094 -0.008 1
1 1371 . 4 1 1 A 114 114 LEU C C 114 175.777 175.096 0.681 1
1 1372 . 4 1 1 A 114 114 LEU CA C 114 53.830 53.730 0.100 1
1 1373 . 4 1 1 A 114 114 LEU CB C 114 46.471 46.843 -0.372 1
1 1377 . 4 1 1 A 114 114 LEU N N 114 120.671 120.558 0.113 1
1 1378 . 4 1 1 A 115 115 GLU H H 115 8.666 9.001 -0.335 1
1 1379 . 4 1 1 A 115 115 GLU HA H 115 4.823 5.049 -0.226 1
1 1384 . 4 1 1 A 115 115 GLU C C 115 175.727 174.714 1.013 1
1 1385 . 4 1 1 A 115 115 GLU CA C 115 55.127 55.001 0.126 1
1 1386 . 4 1 1 A 115 115 GLU CB C 115 31.063 33.594 -2.531 1
1 1388 . 4 1 1 A 115 115 GLU N N 115 122.105 122.344 -0.239 1
1 1389 . 4 1 1 A 116 116 MET H H 116 9.159 8.881 0.278 1
1 1390 . 4 1 1 A 116 116 MET HA H 116 4.989 5.110 -0.121 1
1 1398 . 4 1 1 A 116 116 MET C C 116 177.447 174.100 3.347 1
1 1399 . 4 1 1 A 116 116 MET CA C 116 54.669 54.309 0.360 1
1 1400 . 4 1 1 A 116 116 MET CB C 116 36.107 36.887 -0.780 1
1 1403 . 4 1 1 A 116 116 MET N N 116 123.947 123.200 0.747 1
1 1404 . 4 1 1 A 117 117 LEU H H 117 8.573 8.763 -0.190 1
1 1405 . 4 1 1 A 117 117 LEU HA H 117 4.670 4.494 0.176 1
1 1412 . 4 1 1 A 117 117 LEU C C 117 175.990 176.020 -0.030 1
1 1413 . 4 1 1 A 117 117 LEU CA C 117 54.549 54.589 -0.040 1
1 1414 . 4 1 1 A 117 117 LEU CB C 117 44.045 42.066 1.979 1
1 1417 . 4 1 1 A 117 117 LEU N N 117 122.478 124.986 -2.508 1
1 1418 . 4 1 1 A 118 118 ALA H H 118 8.714 8.600 0.114 1
1 1419 . 4 1 1 A 118 118 ALA HA H 118 4.604 4.610 -0.006 1
1 1423 . 4 1 1 A 118 118 ALA C C 118 175.279 177.201 -1.922 1
1 1424 . 4 1 1 A 118 118 ALA CA C 118 52.155 53.126 -0.971 1
1 1425 . 4 1 1 A 118 118 ALA CB C 118 20.444 21.467 -1.023 1
1 1426 . 4 1 1 A 118 118 ALA N N 118 127.701 129.178 -1.477 1
1 4 . 5 1 1 A 2 2 SER HA H 2 4.544 4.763 -0.219 1
1 7 . 5 1 1 A 2 2 SER CA C 2 58.424 57.245 1.179 1
1 8 . 5 1 1 A 2 2 SER CB C 2 64.017 64.313 -0.296 1
1 13 . 5 1 1 A 4 4 HIS HA H 4 4.504 4.715 -0.211 1
1 17 . 5 1 1 A 4 4 HIS C C 4 175.043 177.056 -2.013 1
1 18 . 5 1 1 A 4 4 HIS CA C 4 58.574 55.872 2.702 1
1 19 . 5 1 1 A 4 4 HIS CB C 4 30.859 30.564 0.295 1
1 20 . 5 1 1 A 5 5 GLU H H 5 10.002 7.839 2.163 1
1 21 . 5 1 1 A 5 5 GLU HA H 5 3.831 3.825 0.006 1
1 26 . 5 1 1 A 5 5 GLU C C 5 173.758 178.235 -4.477 1
1 27 . 5 1 1 A 5 5 GLU CA C 5 61.822 59.335 2.487 1
1 28 . 5 1 1 A 5 5 GLU CB C 5 28.884 29.221 -0.337 1
1 30 . 5 1 1 A 5 5 GLU N N 5 120.850 120.576 0.274 1
1 31 . 5 1 1 A 6 6 TYR H H 6 8.163 7.773 0.390 1
1 32 . 5 1 1 A 6 6 TYR HA H 6 4.066 4.568 -0.502 1
1 39 . 5 1 1 A 6 6 TYR C C 6 173.754 177.354 -3.600 1
1 40 . 5 1 1 A 6 6 TYR CA C 6 61.029 60.158 0.871 1
1 41 . 5 1 1 A 6 6 TYR CB C 6 37.391 37.967 -0.576 1
1 44 . 5 1 1 A 6 6 TYR N N 6 117.171 118.416 -1.245 1
1 45 . 5 1 1 A 7 7 SER H H 7 7.929 8.259 -0.330 1
1 46 . 5 1 1 A 7 7 SER HA H 7 4.265 4.167 0.098 1
1 49 . 5 1 1 A 7 7 SER C C 7 174.434 177.473 -3.039 1
1 50 . 5 1 1 A 7 7 SER CA C 7 61.471 61.786 -0.315 1
1 51 . 5 1 1 A 7 7 SER CB C 7 62.686 63.234 -0.548 1
1 52 . 5 1 1 A 7 7 SER N N 7 116.417 116.657 -0.240 1
1 53 . 5 1 1 A 8 8 VAL H H 8 8.088 7.691 0.397 1
1 54 . 5 1 1 A 8 8 VAL HA H 8 3.795 3.773 0.022 1
1 62 . 5 1 1 A 8 8 VAL C C 8 172.652 178.605 -5.953 1
1 63 . 5 1 1 A 8 8 VAL CA C 8 66.036 66.927 -0.891 1
1 64 . 5 1 1 A 8 8 VAL CB C 8 31.811 31.817 -0.006 1
1 67 . 5 1 1 A 8 8 VAL N N 8 122.514 120.980 1.534 1
1 68 . 5 1 1 A 9 9 VAL H H 9 8.255 8.409 -0.154 1
1 69 . 5 1 1 A 9 9 VAL HA H 9 3.539 3.792 -0.253 1
1 77 . 5 1 1 A 9 9 VAL C C 9 174.142 178.099 -3.957 1
1 78 . 5 1 1 A 9 9 VAL CA C 9 67.201 67.178 0.023 1
1 79 . 5 1 1 A 9 9 VAL CB C 9 30.859 31.728 -0.869 1
1 82 . 5 1 1 A 9 9 VAL N N 9 120.829 120.683 0.146 1
1 83 . 5 1 1 A 10 10 SER H H 10 8.179 8.323 -0.144 1
1 84 . 5 1 1 A 10 10 SER HA H 10 3.726 3.985 -0.259 1
1 87 . 5 1 1 A 10 10 SER C C 10 173.669 177.401 -3.732 1
1 88 . 5 1 1 A 10 10 SER CA C 10 62.397 61.585 0.812 1
1 89 . 5 1 1 A 10 10 SER CB C 10 62.470 62.803 -0.333 1
1 90 . 5 1 1 A 10 10 SER N N 10 115.937 115.319 0.618 1
1 91 . 5 1 1 A 11 11 SER H H 11 7.860 7.926 -0.066 1
1 92 . 5 1 1 A 11 11 SER HA H 11 4.312 4.165 0.147 1
1 95 . 5 1 1 A 11 11 SER C C 11 174.888 177.509 -2.621 1
1 96 . 5 1 1 A 11 11 SER CA C 11 61.863 61.676 0.187 1
1 97 . 5 1 1 A 11 11 SER CB C 11 62.638 63.205 -0.567 1
1 98 . 5 1 1 A 11 11 SER N N 11 117.940 115.601 2.339 1
1 99 . 5 1 1 A 12 12 LEU H H 12 8.197 8.564 -0.367 1
1 100 . 5 1 1 A 12 12 LEU HA H 12 4.331 3.966 0.365 1
1 110 . 5 1 1 A 12 12 LEU C C 12 172.791 179.212 -6.421 1
1 111 . 5 1 1 A 12 12 LEU CA C 12 58.035 58.286 -0.251 1
1 112 . 5 1 1 A 12 12 LEU CB C 12 42.062 42.465 -0.403 1
1 116 . 5 1 1 A 12 12 LEU N N 12 125.411 121.555 3.856 1
1 117 . 5 1 1 A 13 13 ILE H H 13 8.689 8.216 0.473 1
1 118 . 5 1 1 A 13 13 ILE HA H 13 3.654 3.713 -0.059 1
1 128 . 5 1 1 A 13 13 ILE C C 13 173.945 177.996 -4.051 1
1 129 . 5 1 1 A 13 13 ILE CA C 13 65.287 65.908 -0.621 1
1 130 . 5 1 1 A 13 13 ILE CB C 13 36.843 37.683 -0.840 1
1 134 . 5 1 1 A 13 13 ILE N N 13 121.352 118.580 2.772 1
1 135 . 5 1 1 A 14 14 ALA H H 14 7.692 8.261 -0.569 1
1 136 . 5 1 1 A 14 14 ALA HA H 14 4.218 4.089 0.129 1
1 140 . 5 1 1 A 14 14 ALA C C 14 170.805 179.946 -9.141 1
1 141 . 5 1 1 A 14 14 ALA CA C 14 55.484 55.419 0.065 1
1 142 . 5 1 1 A 14 14 ALA CB C 14 17.698 18.384 -0.686 1
1 143 . 5 1 1 A 14 14 ALA N N 14 121.374 122.868 -1.494 1
1 144 . 5 1 1 A 15 15 LEU H H 15 8.040 8.317 -0.277 1
1 145 . 5 1 1 A 15 15 LEU HA H 15 4.253 4.014 0.239 1
1 152 . 5 1 1 A 15 15 LEU C C 15 171.818 178.611 -6.793 1
1 153 . 5 1 1 A 15 15 LEU CA C 15 58.208 57.746 0.462 1
1 154 . 5 1 1 A 15 15 LEU CB C 15 42.286 41.492 0.794 1
1 157 . 5 1 1 A 15 15 LEU N N 15 121.328 119.558 1.770 1
1 158 . 5 1 1 A 16 16 CYS H H 16 8.587 8.531 0.056 1
1 159 . 5 1 1 A 16 16 CYS HA H 16 3.954 4.141 -0.187 1
1 162 . 5 1 1 A 16 16 CYS C C 16 174.494 177.441 -2.947 1
1 163 . 5 1 1 A 16 16 CYS CA C 16 64.933 63.479 1.454 1
1 164 . 5 1 1 A 16 16 CYS CB C 16 26.960 26.906 0.054 1
1 165 . 5 1 1 A 16 16 CYS N N 16 118.908 117.729 1.179 1
1 166 . 5 1 1 A 17 17 GLU H H 17 8.576 8.168 0.408 1
1 167 . 5 1 1 A 17 17 GLU HA H 17 3.806 4.037 -0.231 1
1 172 . 5 1 1 A 17 17 GLU C C 17 172.225 178.807 -6.582 1
1 173 . 5 1 1 A 17 17 GLU CA C 17 60.306 59.683 0.623 1
1 174 . 5 1 1 A 17 17 GLU CB C 17 29.130 29.184 -0.054 1
1 176 . 5 1 1 A 17 17 GLU N N 17 118.419 121.273 -2.854 1
1 177 . 5 1 1 A 18 18 GLU H H 18 8.156 8.308 -0.152 1
1 178 . 5 1 1 A 18 18 GLU HA H 18 4.115 4.036 0.079 1
1 183 . 5 1 1 A 18 18 GLU C C 18 172.241 179.129 -6.888 1
1 184 . 5 1 1 A 18 18 GLU CA C 18 59.507 59.371 0.136 1
1 185 . 5 1 1 A 18 18 GLU CB C 18 29.335 29.356 -0.021 1
1 187 . 5 1 1 A 18 18 GLU N N 18 121.603 119.510 2.093 1
1 188 . 5 1 1 A 19 19 HIS H H 19 8.379 7.570 0.809 1
1 189 . 5 1 1 A 19 19 HIS HA H 19 4.174 4.301 -0.127 1
1 194 . 5 1 1 A 19 19 HIS C C 19 172.511 177.973 -5.462 1
1 195 . 5 1 1 A 19 19 HIS CA C 19 60.525 59.885 0.640 1
1 196 . 5 1 1 A 19 19 HIS CB C 19 31.354 29.745 1.609 1
1 198 . 5 1 1 A 19 19 HIS N N 19 119.634 118.695 0.939 1
1 201 . 5 1 1 A 20 20 ALA H H 20 8.568 8.712 -0.144 1
1 202 . 5 1 1 A 20 20 ALA HA H 20 4.143 3.971 0.172 1
1 206 . 5 1 1 A 20 20 ALA C C 20 172.155 179.561 -7.406 1
1 207 . 5 1 1 A 20 20 ALA CA C 20 55.716 55.113 0.603 1
1 208 . 5 1 1 A 20 20 ALA CB C 20 17.682 18.175 -0.493 1
1 209 . 5 1 1 A 20 20 ALA N N 20 122.453 123.867 -1.414 1
1 210 . 5 1 1 A 21 21 LYS H H 21 8.055 7.962 0.093 1
1 211 . 5 1 1 A 21 21 LYS HA H 21 4.128 3.850 0.278 1
1 220 . 5 1 1 A 21 21 LYS C C 21 170.753 178.612 -7.859 1
1 221 . 5 1 1 A 21 21 LYS CA C 21 59.469 59.120 0.349 1
1 222 . 5 1 1 A 21 21 LYS CB C 21 32.369 32.028 0.341 1
1 226 . 5 1 1 A 21 21 LYS N N 21 118.604 116.345 2.259 1
1 227 . 5 1 1 A 22 22 LYS H H 22 8.092 7.796 0.296 1
1 228 . 5 1 1 A 22 22 LYS HA H 22 4.100 4.025 0.075 1
1 237 . 5 1 1 A 22 22 LYS C C 22 174.300 178.199 -3.899 1
1 238 . 5 1 1 A 22 22 LYS CA C 22 58.920 59.591 -0.671 1
1 239 . 5 1 1 A 22 22 LYS CB C 22 32.406 32.528 -0.122 1
1 243 . 5 1 1 A 22 22 LYS N N 22 119.468 119.465 0.003 1
1 244 . 5 1 1 A 23 23 ASN H H 23 7.461 7.989 -0.528 1
1 245 . 5 1 1 A 23 23 ASN HA H 23 4.710 4.774 -0.064 1
1 248 . 5 1 1 A 23 23 ASN C C 23 178.526 174.755 3.771 1
1 249 . 5 1 1 A 23 23 ASN CA C 23 53.514 53.444 0.070 1
1 250 . 5 1 1 A 23 23 ASN CB C 23 40.124 38.954 1.170 1
1 251 . 5 1 1 A 23 23 ASN N N 23 115.166 117.012 -1.846 1
1 252 . 5 1 1 A 24 24 GLN H H 24 7.879 7.851 0.028 1
1 253 . 5 1 1 A 24 24 GLN HA H 24 3.927 3.694 0.233 1
1 260 . 5 1 1 A 24 24 GLN C C 24 177.284 175.530 1.754 1
1 261 . 5 1 1 A 24 24 GLN CA C 24 57.083 56.706 0.377 1
1 262 . 5 1 1 A 24 24 GLN CB C 24 26.400 25.955 0.445 1
1 264 . 5 1 1 A 24 24 GLN N N 24 116.046 116.400 -0.354 1
1 266 . 5 1 1 A 25 25 ALA H H 25 8.491 8.053 0.438 1
1 267 . 5 1 1 A 25 25 ALA HA H 25 4.600 4.193 0.407 1
1 271 . 5 1 1 A 25 25 ALA C C 25 174.729 178.084 -3.355 1
1 272 . 5 1 1 A 25 25 ALA CA C 25 51.416 54.321 -2.905 1
1 273 . 5 1 1 A 25 25 ALA CB C 25 21.350 19.462 1.888 1
1 274 . 5 1 1 A 25 25 ALA N N 25 120.372 120.810 -0.438 1
1 275 . 5 1 1 A 26 26 HIS H H 26 8.476 7.497 0.979 1
1 276 . 5 1 1 A 26 26 HIS HA H 26 4.736 4.223 0.513 1
1 280 . 5 1 1 A 26 26 HIS C C 26 176.751 173.480 3.271 1
1 281 . 5 1 1 A 26 26 HIS CA C 26 56.211 57.300 -1.089 1
1 282 . 5 1 1 A 26 26 HIS CB C 26 31.838 27.271 4.567 1
1 284 . 5 1 1 A 26 26 HIS N N 26 117.648 112.261 5.387 1
1 285 . 5 1 1 A 27 27 LYS H H 27 7.540 7.402 0.138 1
1 286 . 5 1 1 A 27 27 LYS HA H 27 4.766 4.612 0.154 1
1 295 . 5 1 1 A 27 27 LYS C C 27 176.918 174.485 2.433 1
1 296 . 5 1 1 A 27 27 LYS CA C 27 55.877 55.153 0.724 1
1 297 . 5 1 1 A 27 27 LYS CB C 27 36.796 35.367 1.429 1
1 301 . 5 1 1 A 27 27 LYS N N 27 116.451 114.159 2.292 1
1 302 . 5 1 1 A 28 28 ILE H H 28 8.320 8.895 -0.575 1
1 303 . 5 1 1 A 28 28 ILE HA H 28 4.319 4.680 -0.361 1
1 310 . 5 1 1 A 28 28 ILE C C 28 176.921 176.080 0.841 1
1 311 . 5 1 1 A 28 28 ILE CA C 28 60.552 59.927 0.625 1
1 312 . 5 1 1 A 28 28 ILE CB C 28 38.843 39.576 -0.733 1
1 313 . 5 1 1 A 28 28 ILE N N 28 123.140 123.749 -0.609 1
1 314 . 5 1 1 A 29 29 GLU H H 29 9.001 9.418 -0.417 1
1 315 . 5 1 1 A 29 29 GLU HA H 29 4.446 4.360 0.086 1
1 320 . 5 1 1 A 29 29 GLU C C 29 174.406 175.487 -1.081 1
1 321 . 5 1 1 A 29 29 GLU CA C 29 57.363 58.256 -0.893 1
1 322 . 5 1 1 A 29 29 GLU CB C 29 31.761 30.597 1.164 1
1 324 . 5 1 1 A 29 29 GLU N N 29 125.872 126.347 -0.475 1
1 325 . 5 1 1 A 30 30 ARG H H 30 7.654 7.709 -0.055 1
1 326 . 5 1 1 A 30 30 ARG HA H 30 5.282 4.949 0.333 1
1 334 . 5 1 1 A 30 30 ARG C C 30 178.750 175.781 2.969 1
1 335 . 5 1 1 A 30 30 ARG CA C 30 55.558 54.574 0.984 1
1 336 . 5 1 1 A 30 30 ARG CB C 30 34.774 32.744 2.030 1
1 338 . 5 1 1 A 30 30 ARG N N 30 119.436 117.576 1.860 1
1 340 . 5 1 1 A 31 31 VAL H H 31 9.234 8.775 0.459 1
1 341 . 5 1 1 A 31 31 VAL HA H 31 4.397 4.345 0.052 1
1 349 . 5 1 1 A 31 31 VAL C C 31 178.662 175.645 3.017 1
1 350 . 5 1 1 A 31 31 VAL CA C 31 60.882 61.878 -0.996 1
1 351 . 5 1 1 A 31 31 VAL CB C 31 34.494 32.732 1.762 1
1 354 . 5 1 1 A 31 31 VAL N N 31 127.428 122.610 4.818 1
1 355 . 5 1 1 A 32 32 VAL H H 32 8.626 8.579 0.047 1
1 356 . 5 1 1 A 32 32 VAL HA H 32 5.039 4.946 0.093 1
1 364 . 5 1 1 A 32 32 VAL C C 32 175.519 174.702 0.817 1
1 365 . 5 1 1 A 32 32 VAL CA C 32 60.917 60.794 0.123 1
1 366 . 5 1 1 A 32 32 VAL CB C 32 31.892 34.299 -2.407 1
1 368 . 5 1 1 A 32 32 VAL N N 32 126.581 123.439 3.142 1
1 369 . 5 1 1 A 33 33 VAL H H 33 8.802 9.361 -0.559 1
1 370 . 5 1 1 A 33 33 VAL HA H 33 4.917 4.770 0.147 1
1 378 . 5 1 1 A 33 33 VAL C C 33 178.038 174.936 3.102 1
1 379 . 5 1 1 A 33 33 VAL CA C 33 58.975 60.633 -1.658 1
1 380 . 5 1 1 A 33 33 VAL CB C 33 35.109 35.458 -0.349 1
1 383 . 5 1 1 A 33 33 VAL N N 33 122.994 127.782 -4.788 1
1 384 . 5 1 1 A 34 34 GLY H H 34 9.535 9.114 0.421 1
1 385 . 5 1 1 A 34 34 GLY HA2 H 34 5.187 4.252 0.935 1
1 386 . 5 1 1 A 34 34 GLY HA3 H 34 3.404 4.260 -0.856 1
1 387 . 5 1 1 A 34 34 GLY C C 34 178.060 171.938 6.122 1
1 388 . 5 1 1 A 34 34 GLY CA C 34 44.108 44.479 -0.371 1
1 389 . 5 1 1 A 34 34 GLY N N 34 112.269 114.130 -1.861 1
1 390 . 5 1 1 A 35 35 ILE H H 35 8.761 9.378 -0.617 1
1 391 . 5 1 1 A 35 35 ILE HA H 35 4.340 4.722 -0.382 1
1 401 . 5 1 1 A 35 35 ILE C C 35 174.823 176.284 -1.461 1
1 402 . 5 1 1 A 35 35 ILE CA C 35 60.287 59.346 0.941 1
1 403 . 5 1 1 A 35 35 ILE CB C 35 39.357 41.845 -2.488 1
1 407 . 5 1 1 A 35 35 ILE N N 35 123.848 124.774 -0.926 1
1 408 . 5 1 1 A 36 36 GLY H H 36 8.439 8.631 -0.192 1
1 409 . 5 1 1 A 36 36 GLY HA2 H 36 3.321 4.096 -0.775 1
1 410 . 5 1 1 A 36 36 GLY HA3 H 36 4.444 4.101 0.343 1
1 411 . 5 1 1 A 36 36 GLY C C 36 175.743 174.771 0.972 1
1 412 . 5 1 1 A 36 36 GLY CA C 36 46.389 45.469 0.920 1
1 413 . 5 1 1 A 36 36 GLY N N 36 117.219 113.075 4.144 1
1 414 . 5 1 1 A 37 37 GLU H H 37 8.756 9.119 -0.363 1
1 415 . 5 1 1 A 37 37 GLU HA H 37 4.277 4.115 0.162 1
1 420 . 5 1 1 A 37 37 GLU C C 37 174.413 176.936 -2.523 1
1 421 . 5 1 1 A 37 37 GLU CA C 37 58.568 58.533 0.035 1
1 422 . 5 1 1 A 37 37 GLU CB C 37 29.809 29.106 0.703 1
1 424 . 5 1 1 A 37 37 GLU N N 37 124.260 120.729 3.531 1
1 425 . 5 1 1 A 38 38 ARG H H 38 8.483 7.808 0.675 1
1 426 . 5 1 1 A 38 38 ARG HA H 38 4.594 4.544 0.050 1
1 434 . 5 1 1 A 38 38 ARG C C 38 175.250 176.777 -1.527 1
1 435 . 5 1 1 A 38 38 ARG CA C 38 54.916 55.675 -0.759 1
1 436 . 5 1 1 A 38 38 ARG CB C 38 29.706 30.898 -1.192 1
1 439 . 5 1 1 A 38 38 ARG N N 38 117.248 119.937 -2.689 1
1 441 . 5 1 1 A 39 39 SER H H 39 7.630 7.680 -0.050 1
1 442 . 5 1 1 A 39 39 SER HA H 39 4.139 4.429 -0.290 1
1 445 . 5 1 1 A 39 39 SER C C 39 176.694 173.782 2.912 1
1 446 . 5 1 1 A 39 39 SER CA C 39 59.524 59.956 -0.432 1
1 447 . 5 1 1 A 39 39 SER CB C 39 64.248 63.085 1.163 1
1 448 . 5 1 1 A 39 39 SER N N 39 115.086 114.713 0.373 1
1 449 . 5 1 1 A 40 40 ALA H H 40 8.667 7.930 0.737 1
1 450 . 5 1 1 A 40 40 ALA HA H 40 4.267 4.038 0.229 1
1 454 . 5 1 1 A 40 40 ALA C C 40 174.406 176.354 -1.948 1
1 455 . 5 1 1 A 40 40 ALA CA C 40 52.641 53.721 -1.080 1
1 456 . 5 1 1 A 40 40 ALA CB C 40 17.976 18.341 -0.365 1
1 457 . 5 1 1 A 40 40 ALA N N 40 126.133 122.436 3.697 1
1 458 . 5 1 1 A 41 41 MET H H 41 7.793 7.789 0.004 1
1 459 . 5 1 1 A 41 41 MET HA H 41 4.389 4.461 -0.072 1
1 467 . 5 1 1 A 41 41 MET C C 41 176.689 175.165 1.524 1
1 468 . 5 1 1 A 41 41 MET CA C 41 55.965 54.027 1.938 1
1 469 . 5 1 1 A 41 41 MET CB C 41 34.761 32.472 2.289 1
1 472 . 5 1 1 A 41 41 MET N N 41 117.758 117.935 -0.177 1
1 473 . 5 1 1 A 42 42 ASP H H 42 9.667 8.693 0.974 1
1 474 . 5 1 1 A 42 42 ASP HA H 42 4.706 4.705 0.001 1
1 477 . 5 1 1 A 42 42 ASP C C 42 174.559 177.652 -3.093 1
1 478 . 5 1 1 A 42 42 ASP CA C 42 53.363 54.008 -0.645 1
1 479 . 5 1 1 A 42 42 ASP CB C 42 41.740 39.891 1.849 1
1 480 . 5 1 1 A 42 42 ASP N N 42 125.565 125.740 -0.175 1
1 481 . 5 1 1 A 43 43 LYS H H 43 8.928 8.209 0.719 1
1 482 . 5 1 1 A 43 43 LYS HA H 43 3.752 4.226 -0.474 1
1 491 . 5 1 1 A 43 43 LYS C C 43 173.737 178.621 -4.884 1
1 492 . 5 1 1 A 43 43 LYS CA C 43 60.966 59.305 1.661 1
1 493 . 5 1 1 A 43 43 LYS CB C 43 32.585 31.977 0.608 1
1 497 . 5 1 1 A 43 43 LYS N N 43 127.256 123.898 3.358 1
1 498 . 5 1 1 A 44 44 SER H H 44 8.327 7.863 0.464 1
1 499 . 5 1 1 A 44 44 SER HA H 44 4.009 4.301 -0.292 1
1 502 . 5 1 1 A 44 44 SER C C 44 174.032 177.360 -3.328 1
1 503 . 5 1 1 A 44 44 SER CA C 44 62.461 61.105 1.356 1
1 504 . 5 1 1 A 44 44 SER CB C 44 62.281 62.909 -0.628 1
1 505 . 5 1 1 A 44 44 SER N N 44 114.797 115.173 -0.376 1
1 506 . 5 1 1 A 45 45 LEU H H 45 7.878 7.909 -0.031 1
1 507 . 5 1 1 A 45 45 LEU HA H 45 4.254 4.110 0.144 1
1 517 . 5 1 1 A 45 45 LEU C C 45 172.915 179.346 -6.431 1
1 518 . 5 1 1 A 45 45 LEU CA C 45 57.128 57.758 -0.630 1
1 519 . 5 1 1 A 45 45 LEU CB C 45 41.738 42.239 -0.501 1
1 523 . 5 1 1 A 45 45 LEU N N 45 124.570 122.516 2.054 1
1 524 . 5 1 1 A 46 46 PHE H H 46 8.343 8.330 0.013 1
1 525 . 5 1 1 A 46 46 PHE HA H 46 3.882 4.251 -0.369 1
1 532 . 5 1 1 A 46 46 PHE C C 46 175.104 177.064 -1.960 1
1 533 . 5 1 1 A 46 46 PHE CA C 46 61.820 61.743 0.077 1
1 534 . 5 1 1 A 46 46 PHE CB C 46 40.047 39.199 0.848 1
1 537 . 5 1 1 A 46 46 PHE N N 46 121.059 119.020 2.039 1
1 538 . 5 1 1 A 47 47 VAL H H 47 8.370 8.190 0.180 1
1 539 . 5 1 1 A 47 47 VAL HA H 47 3.466 3.344 0.122 1
1 547 . 5 1 1 A 47 47 VAL C C 47 173.353 177.826 -4.473 1
1 548 . 5 1 1 A 47 47 VAL CA C 47 67.220 64.479 2.741 1
1 549 . 5 1 1 A 47 47 VAL CB C 47 31.927 31.125 0.802 1
1 552 . 5 1 1 A 47 47 VAL N N 47 118.023 119.171 -1.148 1
1 553 . 5 1 1 A 48 48 SER H H 48 7.967 7.934 0.033 1
1 554 . 5 1 1 A 48 48 SER HA H 48 4.268 4.063 0.205 1
1 557 . 5 1 1 A 48 48 SER C C 48 174.187 177.210 -3.023 1
1 558 . 5 1 1 A 48 48 SER CA C 48 61.789 61.388 0.401 1
1 559 . 5 1 1 A 48 48 SER CB C 48 62.761 63.132 -0.371 1
1 560 . 5 1 1 A 48 48 SER N N 48 114.372 116.927 -2.555 1
1 561 . 5 1 1 A 49 49 ALA H H 49 8.489 7.994 0.495 1
1 562 . 5 1 1 A 49 49 ALA HA H 49 3.931 4.099 -0.168 1
1 566 . 5 1 1 A 49 49 ALA C C 49 172.626 179.553 -6.927 1
1 567 . 5 1 1 A 49 49 ALA CA C 49 55.067 55.026 0.041 1
1 568 . 5 1 1 A 49 49 ALA CB C 49 17.587 18.570 -0.983 1
1 569 . 5 1 1 A 49 49 ALA N N 49 124.199 123.212 0.987 1
1 570 . 5 1 1 A 50 50 PHE H H 50 8.510 8.272 0.238 1
1 571 . 5 1 1 A 50 50 PHE HA H 50 3.763 4.153 -0.390 1
1 578 . 5 1 1 A 50 50 PHE C C 50 174.923 177.719 -2.796 1
1 579 . 5 1 1 A 50 50 PHE CA C 50 63.098 61.582 1.516 1
1 580 . 5 1 1 A 50 50 PHE CB C 50 39.465 39.184 0.281 1
1 583 . 5 1 1 A 50 50 PHE N N 50 120.967 119.726 1.241 1
1 584 . 5 1 1 A 51 51 GLU H H 51 8.561 8.702 -0.141 1
1 585 . 5 1 1 A 51 51 GLU HA H 51 3.717 3.849 -0.132 1
1 590 . 5 1 1 A 51 51 GLU C C 51 173.002 179.133 -6.131 1
1 591 . 5 1 1 A 51 51 GLU CA C 51 59.750 59.564 0.186 1
1 592 . 5 1 1 A 51 51 GLU CB C 51 29.330 29.234 0.096 1
1 594 . 5 1 1 A 51 51 GLU N N 51 116.915 117.676 -0.761 1
1 595 . 5 1 1 A 52 52 THR H H 52 7.759 8.282 -0.523 1
1 596 . 5 1 1 A 52 52 THR HA H 52 4.090 3.785 0.305 1
1 601 . 5 1 1 A 52 52 THR C C 52 174.897 175.869 -0.972 1
1 602 . 5 1 1 A 52 52 THR CA C 52 65.899 66.509 -0.610 1
1 603 . 5 1 1 A 52 52 THR CB C 52 69.172 68.360 0.812 1
1 605 . 5 1 1 A 52 52 THR N N 52 114.348 116.155 -1.807 1
1 606 . 5 1 1 A 53 53 PHE H H 53 8.725 7.877 0.848 1
1 607 . 5 1 1 A 53 53 PHE HA H 53 4.335 4.501 -0.166 1
1 614 . 5 1 1 A 53 53 PHE C C 53 172.389 176.841 -4.452 1
1 615 . 5 1 1 A 53 53 PHE CA C 53 60.011 59.393 0.618 1
1 616 . 5 1 1 A 53 53 PHE CB C 53 38.244 37.763 0.481 1
1 619 . 5 1 1 A 53 53 PHE N N 53 120.493 117.942 2.551 1
1 620 . 5 1 1 A 54 54 ARG H H 54 8.579 8.172 0.407 1
1 621 . 5 1 1 A 54 54 ARG HA H 54 3.626 3.845 -0.219 1
1 625 . 5 1 1 A 54 54 ARG C C 54 175.195 177.680 -2.485 1
1 626 . 5 1 1 A 54 54 ARG CA C 54 59.252 58.624 0.628 1
1 627 . 5 1 1 A 54 54 ARG CB C 54 26.544 29.616 -3.072 1
1 629 . 5 1 1 A 54 54 ARG N N 54 119.132 119.283 -0.151 1
1 631 . 5 1 1 A 55 55 GLU H H 55 6.758 8.591 -1.833 1
1 632 . 5 1 1 A 55 55 GLU HA H 55 3.983 4.059 -0.076 1
1 637 . 5 1 1 A 55 55 GLU C C 55 174.356 179.515 -5.159 1
1 638 . 5 1 1 A 55 55 GLU CA C 55 58.002 59.123 -1.121 1
1 639 . 5 1 1 A 55 55 GLU CB C 55 29.865 29.269 0.596 1
1 641 . 5 1 1 A 55 55 GLU N N 55 115.466 118.444 -2.978 1
1 642 . 5 1 1 A 56 56 GLU H H 56 7.245 7.829 -0.584 1
1 643 . 5 1 1 A 56 56 GLU HA H 56 4.294 4.105 0.189 1
1 648 . 5 1 1 A 56 56 GLU C C 56 175.946 176.152 -0.206 1
1 649 . 5 1 1 A 56 56 GLU CA C 56 55.827 58.532 -2.705 1
1 650 . 5 1 1 A 56 56 GLU CB C 56 30.030 29.805 0.225 1
1 652 . 5 1 1 A 56 56 GLU N N 56 114.653 119.836 -5.183 1
1 653 . 5 1 1 A 57 57 SER H H 57 7.405 7.521 -0.116 1
1 654 . 5 1 1 A 57 57 SER HA H 57 4.707 4.812 -0.105 1
1 657 . 5 1 1 A 57 57 SER C C 57 176.895 174.156 2.739 1
1 658 . 5 1 1 A 57 57 SER CA C 57 55.456 57.461 -2.005 1
1 659 . 5 1 1 A 57 57 SER CB C 57 64.059 65.737 -1.678 1
1 660 . 5 1 1 A 57 57 SER N N 57 114.312 112.451 1.861 1
1 661 . 5 1 1 A 58 58 LEU H H 58 8.819 9.122 -0.303 1
1 662 . 5 1 1 A 58 58 LEU HA H 58 4.120 4.045 0.075 1
1 672 . 5 1 1 A 58 58 LEU C C 58 172.006 178.820 -6.814 1
1 673 . 5 1 1 A 58 58 LEU CA C 58 58.438 57.505 0.933 1
1 674 . 5 1 1 A 58 58 LEU CB C 58 41.839 41.630 0.209 1
1 678 . 5 1 1 A 58 58 LEU N N 58 129.477 127.031 2.446 1
1 679 . 5 1 1 A 59 59 VAL H H 59 7.929 7.915 0.014 1
1 680 . 5 1 1 A 59 59 VAL HA H 59 4.305 4.027 0.278 1
1 688 . 5 1 1 A 59 59 VAL C C 59 173.624 177.897 -4.273 1
1 689 . 5 1 1 A 59 59 VAL CA C 59 64.028 64.660 -0.632 1
1 690 . 5 1 1 A 59 59 VAL CB C 59 33.135 31.401 1.734 1
1 693 . 5 1 1 A 59 59 VAL N N 59 112.367 114.934 -2.567 1
1 694 . 5 1 1 A 60 60 CYS H H 60 7.786 8.044 -0.258 1
1 695 . 5 1 1 A 60 60 CYS HA H 60 4.589 4.427 0.162 1
1 698 . 5 1 1 A 60 60 CYS C C 60 176.508 176.533 -0.025 1
1 699 . 5 1 1 A 60 60 CYS CA C 60 59.907 61.503 -1.596 1
1 700 . 5 1 1 A 60 60 CYS CB C 60 28.211 27.037 1.174 1
1 701 . 5 1 1 A 60 60 CYS N N 60 115.412 119.299 -3.887 1
1 702 . 5 1 1 A 61 61 LYS H H 61 7.415 7.956 -0.541 1
1 703 . 5 1 1 A 61 61 LYS HA H 61 3.820 4.111 -0.291 1
1 712 . 5 1 1 A 61 61 LYS C C 61 175.812 177.188 -1.376 1
1 713 . 5 1 1 A 61 61 LYS CA C 61 60.389 58.458 1.931 1
1 714 . 5 1 1 A 61 61 LYS CB C 61 32.606 32.131 0.475 1
1 718 . 5 1 1 A 61 61 LYS N N 61 120.942 119.461 1.481 1
1 719 . 5 1 1 A 62 62 ASP C C 62 175.254 175.628 -0.374 1
1 720 . 5 1 1 A 62 62 ASP CA C 62 55.159 53.934 1.225 1
1 721 . 5 1 1 A 62 62 ASP CB C 62 42.358 42.316 0.042 1
1 722 . 5 1 1 A 64 64 ILE H H 64 7.784 8.221 -0.437 1
1 723 . 5 1 1 A 64 64 ILE HA H 64 4.126 5.009 -0.883 1
1 733 . 5 1 1 A 64 64 ILE C C 64 177.456 174.589 2.867 1
1 734 . 5 1 1 A 64 64 ILE CA C 64 60.516 59.665 0.851 1
1 735 . 5 1 1 A 64 64 ILE CB C 64 39.990 41.917 -1.927 1
1 739 . 5 1 1 A 64 64 ILE N N 64 122.653 119.142 3.511 1
1 740 . 5 1 1 A 65 65 LEU H H 65 8.357 8.875 -0.518 1
1 741 . 5 1 1 A 65 65 LEU HA H 65 4.858 4.841 0.017 1
1 751 . 5 1 1 A 65 65 LEU C C 65 176.625 174.289 2.336 1
1 752 . 5 1 1 A 65 65 LEU CA C 65 53.315 53.372 -0.057 1
1 753 . 5 1 1 A 65 65 LEU CB C 65 43.307 44.219 -0.912 1
1 757 . 5 1 1 A 65 65 LEU N N 65 128.311 126.998 1.313 1
1 758 . 5 1 1 A 66 66 ASP H H 66 9.088 9.147 -0.059 1
1 759 . 5 1 1 A 66 66 ASP HA H 66 5.009 4.957 0.052 1
1 762 . 5 1 1 A 66 66 ASP C C 66 177.504 174.718 2.786 1
1 763 . 5 1 1 A 66 66 ASP CA C 66 53.137 53.688 -0.551 1
1 764 . 5 1 1 A 66 66 ASP CB C 66 44.234 42.265 1.969 1
1 765 . 5 1 1 A 66 66 ASP N N 66 129.457 127.998 1.459 1
1 766 . 5 1 1 A 67 67 ILE H H 67 8.240 9.134 -0.894 1
1 767 . 5 1 1 A 67 67 ILE HA H 67 4.759 4.766 -0.007 1
1 777 . 5 1 1 A 67 67 ILE C C 67 175.569 175.452 0.117 1
1 778 . 5 1 1 A 67 67 ILE CA C 67 59.640 60.448 -0.808 1
1 779 . 5 1 1 A 67 67 ILE CB C 67 39.948 38.718 1.230 1
1 783 . 5 1 1 A 67 67 ILE N N 67 120.821 128.018 -7.197 1
1 784 . 5 1 1 A 68 68 VAL H H 68 9.310 8.968 0.342 1
1 785 . 5 1 1 A 68 68 VAL HA H 68 4.149 4.010 0.139 1
1 793 . 5 1 1 A 68 68 VAL C C 68 176.697 175.139 1.558 1
1 794 . 5 1 1 A 68 68 VAL CA C 68 60.707 63.135 -2.428 1
1 795 . 5 1 1 A 68 68 VAL CB C 68 34.121 31.840 2.281 1
1 798 . 5 1 1 A 68 68 VAL N N 68 130.182 128.448 1.734 1
1 799 . 5 1 1 A 69 69 ASP H H 69 8.577 8.823 -0.246 1
1 800 . 5 1 1 A 69 69 ASP HA H 69 4.847 4.777 0.070 1
1 803 . 5 1 1 A 69 69 ASP C C 69 175.713 174.691 1.022 1
1 804 . 5 1 1 A 69 69 ASP CA C 69 54.357 53.236 1.121 1
1 805 . 5 1 1 A 69 69 ASP CB C 69 41.353 40.914 0.439 1
1 806 . 5 1 1 A 69 69 ASP N N 69 127.151 128.267 -1.116 1
1 807 . 5 1 1 A 70 70 GLU H H 70 7.857 8.839 -0.982 1
1 808 . 5 1 1 A 70 70 GLU HA H 70 4.563 4.458 0.105 1
1 813 . 5 1 1 A 70 70 GLU C C 70 176.179 176.771 -0.592 1
1 814 . 5 1 1 A 70 70 GLU CA C 70 56.333 56.286 0.047 1
1 815 . 5 1 1 A 70 70 GLU CB C 70 31.503 30.706 0.797 1
1 817 . 5 1 1 A 70 70 GLU N N 70 123.503 126.889 -3.386 1
1 818 . 5 1 1 A 71 71 LYS H H 71 8.517 8.483 0.034 1
1 819 . 5 1 1 A 71 71 LYS HA H 71 4.261 4.367 -0.106 1
1 828 . 5 1 1 A 71 71 LYS C C 71 175.084 176.430 -1.346 1
1 829 . 5 1 1 A 71 71 LYS CA C 71 55.210 56.598 -1.388 1
1 830 . 5 1 1 A 71 71 LYS CB C 71 33.019 33.093 -0.074 1
1 834 . 5 1 1 A 71 71 LYS N N 71 124.197 122.638 1.559 1
1 835 . 5 1 1 A 72 72 VAL H H 72 8.612 8.521 0.091 1
1 836 . 5 1 1 A 72 72 VAL HA H 72 4.277 4.891 -0.614 1
1 844 . 5 1 1 A 72 72 VAL C C 72 176.529 174.832 1.697 1
1 845 . 5 1 1 A 72 72 VAL CA C 72 63.133 61.018 2.115 1
1 846 . 5 1 1 A 72 72 VAL CB C 72 32.188 33.209 -1.021 1
1 849 . 5 1 1 A 72 72 VAL N N 72 119.616 122.129 -2.513 1
1 850 . 5 1 1 A 73 73 GLU H H 73 7.750 8.976 -1.226 1
1 851 . 5 1 1 A 73 73 GLU HA H 73 4.469 5.008 -0.539 1
1 856 . 5 1 1 A 73 73 GLU C C 73 178.456 174.723 3.733 1
1 857 . 5 1 1 A 73 73 GLU CA C 73 55.241 54.814 0.427 1
1 858 . 5 1 1 A 73 73 GLU CB C 73 34.536 33.524 1.012 1
1 860 . 5 1 1 A 73 73 GLU N N 73 126.126 127.585 -1.459 1
1 861 . 5 1 1 A 74 74 LEU H H 74 8.495 9.377 -0.882 1
1 862 . 5 1 1 A 74 74 LEU HA H 74 5.207 4.824 0.383 1
1 869 . 5 1 1 A 74 74 LEU C C 74 176.827 174.916 1.911 1
1 870 . 5 1 1 A 74 74 LEU CA C 74 52.600 53.611 -1.011 1
1 871 . 5 1 1 A 74 74 LEU CB C 74 45.404 42.608 2.796 1
1 874 . 5 1 1 A 74 74 LEU N N 74 123.821 126.902 -3.081 1
1 875 . 5 1 1 A 75 75 GLU H H 75 8.770 8.524 0.246 1
1 876 . 5 1 1 A 75 75 GLU HA H 75 5.127 4.385 0.742 1
1 881 . 5 1 1 A 75 75 GLU C C 75 176.617 176.134 0.483 1
1 882 . 5 1 1 A 75 75 GLU CA C 75 53.748 56.132 -2.384 1
1 883 . 5 1 1 A 75 75 GLU CB C 75 33.910 30.510 3.400 1
1 885 . 5 1 1 A 75 75 GLU N N 75 118.723 125.328 -6.605 1
1 886 . 5 1 1 A 76 76 CYS H H 76 9.354 8.567 0.787 1
1 887 . 5 1 1 A 76 76 CYS HA H 76 4.665 4.610 0.055 1
1 890 . 5 1 1 A 76 76 CYS C C 76 173.085 175.479 -2.394 1
1 891 . 5 1 1 A 76 76 CYS CA C 76 59.386 58.351 1.035 1
1 892 . 5 1 1 A 76 76 CYS CB C 76 32.476 28.899 3.577 1
1 893 . 5 1 1 A 76 76 CYS N N 76 128.378 123.787 4.591 1
1 894 . 5 1 1 A 77 77 LYS H H 77 9.328 8.713 0.615 1
1 895 . 5 1 1 A 77 77 LYS HA H 77 4.279 4.192 0.087 1
1 904 . 5 1 1 A 77 77 LYS C C 77 174.709 176.971 -2.262 1
1 905 . 5 1 1 A 77 77 LYS CA C 77 56.997 58.798 -1.801 1
1 906 . 5 1 1 A 77 77 LYS CB C 77 31.240 32.739 -1.499 1
1 910 . 5 1 1 A 77 77 LYS N N 77 129.264 124.816 4.448 1
1 911 . 5 1 1 A 78 78 ASP H H 78 9.182 8.161 1.021 1
1 912 . 5 1 1 A 78 78 ASP HA H 78 4.945 4.864 0.081 1
1 915 . 5 1 1 A 78 78 ASP C C 78 173.961 174.596 -0.635 1
1 916 . 5 1 1 A 78 78 ASP CA C 78 56.797 52.740 4.057 1
1 917 . 5 1 1 A 78 78 ASP CB C 78 42.214 41.265 0.949 1
1 918 . 5 1 1 A 78 78 ASP N N 78 122.206 116.806 5.400 1
1 919 . 5 1 1 A 79 79 CYS H H 79 9.871 8.205 1.666 1
1 920 . 5 1 1 A 79 79 CYS HA H 79 5.165 4.862 0.303 1
1 923 . 5 1 1 A 79 79 CYS C C 79 174.253 172.582 1.671 1
1 924 . 5 1 1 A 79 79 CYS CA C 79 59.123 57.843 1.280 1
1 925 . 5 1 1 A 79 79 CYS CB C 79 32.286 30.491 1.795 1
1 926 . 5 1 1 A 79 79 CYS N N 79 124.020 123.435 0.585 1
1 927 . 5 1 1 A 80 80 SER H H 80 7.667 8.571 -0.904 1
1 928 . 5 1 1 A 80 80 SER HA H 80 4.564 4.895 -0.331 1
1 931 . 5 1 1 A 80 80 SER C C 80 178.621 172.600 6.021 1
1 932 . 5 1 1 A 80 80 SER CA C 80 62.038 57.117 4.921 1
1 933 . 5 1 1 A 80 80 SER CB C 80 62.215 63.142 -0.927 1
1 934 . 5 1 1 A 80 80 SER N N 80 115.904 117.371 -1.467 1
1 935 . 5 1 1 A 81 81 HIS H H 81 8.916 8.158 0.758 1
1 936 . 5 1 1 A 81 81 HIS HA H 81 4.649 4.995 -0.346 1
1 941 . 5 1 1 A 81 81 HIS C C 81 178.299 173.101 5.198 1
1 942 . 5 1 1 A 81 81 HIS CA C 81 58.348 56.179 2.169 1
1 943 . 5 1 1 A 81 81 HIS CB C 81 33.016 33.158 -0.142 1
1 946 . 5 1 1 A 81 81 HIS N N 81 125.397 124.478 0.919 1
1 949 . 5 1 1 A 82 82 VAL H H 82 7.058 7.781 -0.723 1
1 950 . 5 1 1 A 82 82 VAL HA H 82 5.212 4.478 0.734 1
1 958 . 5 1 1 A 82 82 VAL C C 82 176.161 173.509 2.652 1
1 959 . 5 1 1 A 82 82 VAL CA C 82 60.567 59.889 0.678 1
1 960 . 5 1 1 A 82 82 VAL CB C 82 34.355 35.190 -0.835 1
1 963 . 5 1 1 A 82 82 VAL N N 82 125.314 123.178 2.136 1
1 964 . 5 1 1 A 83 83 PHE H H 83 8.883 8.316 0.567 1
1 965 . 5 1 1 A 83 83 PHE HA H 83 4.842 5.312 -0.470 1
1 972 . 5 1 1 A 83 83 PHE C C 83 179.687 172.661 7.026 1
1 973 . 5 1 1 A 83 83 PHE CA C 83 55.495 55.318 0.177 1
1 974 . 5 1 1 A 83 83 PHE CB C 83 40.651 41.811 -1.160 1
1 978 . 5 1 1 A 83 83 PHE N N 83 122.377 121.497 0.880 1
1 979 . 5 1 1 A 84 84 LYS H H 84 8.658 8.817 -0.159 1
1 980 . 5 1 1 A 84 84 LYS HA H 84 5.001 4.789 0.212 1
1 989 . 5 1 1 A 84 84 LYS C C 84 176.705 174.460 2.245 1
1 990 . 5 1 1 A 84 84 LYS CA C 84 52.738 53.042 -0.304 1
1 991 . 5 1 1 A 84 84 LYS CB C 84 32.660 34.081 -1.421 1
1 995 . 5 1 1 A 84 84 LYS N N 84 121.116 119.730 1.386 1
1 996 . 5 1 1 A 85 85 PRO HA H 85 4.663 4.795 -0.132 1
1 1003 . 5 1 1 A 85 85 PRO C C 85 174.722 176.240 -1.518 1
1 1004 . 5 1 1 A 85 85 PRO CA C 85 62.633 62.887 -0.254 1
1 1005 . 5 1 1 A 85 85 PRO CB C 85 32.712 31.322 1.390 1
1 1008 . 5 1 1 A 86 86 ASN H H 86 8.983 8.997 -0.014 1
1 1009 . 5 1 1 A 86 86 ASN HA H 86 4.704 5.031 -0.327 1
1 1014 . 5 1 1 A 86 86 ASN C C 86 176.576 174.999 1.577 1
1 1015 . 5 1 1 A 86 86 ASN CA C 86 53.552 54.793 -1.241 1
1 1016 . 5 1 1 A 86 86 ASN CB C 86 39.208 40.805 -1.597 1
1 1017 . 5 1 1 A 86 86 ASN N N 86 119.549 121.450 -1.901 1
1 1019 . 5 1 1 A 87 87 ALA H H 87 8.122 7.736 0.386 1
1 1020 . 5 1 1 A 87 87 ALA HA H 87 4.369 4.325 0.044 1
1 1024 . 5 1 1 A 87 87 ALA C C 87 174.154 177.414 -3.260 1
1 1025 . 5 1 1 A 87 87 ALA CA C 87 52.560 52.617 -0.057 1
1 1026 . 5 1 1 A 87 87 ALA CB C 87 19.660 19.893 -0.233 1
1 1027 . 5 1 1 A 87 87 ALA N N 87 122.483 121.106 1.377 1
1 1028 . 5 1 1 A 88 88 LEU H H 88 8.195 8.590 -0.395 1
1 1029 . 5 1 1 A 88 88 LEU HA H 88 4.192 4.481 -0.289 1
1 1039 . 5 1 1 A 88 88 LEU C C 88 174.871 177.586 -2.715 1
1 1040 . 5 1 1 A 88 88 LEU CA C 88 55.691 55.613 0.078 1
1 1041 . 5 1 1 A 88 88 LEU CB C 88 41.708 42.997 -1.289 1
1 1045 . 5 1 1 A 88 88 LEU N N 88 118.730 117.360 1.370 1
1 1046 . 5 1 1 A 89 89 ASP H H 89 7.902 8.236 -0.334 1
1 1047 . 5 1 1 A 89 89 ASP HA H 89 4.601 4.214 0.387 1
1 1050 . 5 1 1 A 89 89 ASP C C 89 175.940 176.942 -1.002 1
1 1051 . 5 1 1 A 89 89 ASP CA C 89 53.641 56.542 -2.901 1
1 1052 . 5 1 1 A 89 89 ASP CB C 89 40.953 40.400 0.553 1
1 1053 . 5 1 1 A 89 89 ASP N N 89 118.577 120.462 -1.885 1
1 1054 . 5 1 1 A 90 90 TYR H H 90 7.922 7.852 0.070 1
1 1055 . 5 1 1 A 90 90 TYR HA H 90 4.551 4.793 -0.242 1
1 1062 . 5 1 1 A 90 90 TYR C C 90 175.338 176.716 -1.378 1
1 1063 . 5 1 1 A 90 90 TYR CA C 90 57.505 57.742 -0.237 1
1 1064 . 5 1 1 A 90 90 TYR CB C 90 38.147 38.633 -0.486 1
1 1067 . 5 1 1 A 90 90 TYR N N 90 121.632 115.597 6.035 1
1 1068 . 5 1 1 A 91 91 GLY H H 91 8.313 8.066 0.247 1
1 1069 . 5 1 1 A 91 91 GLY HA2 H 91 3.966 3.916 0.050 1
1 1070 . 5 1 1 A 91 91 GLY HA3 H 91 3.784 3.975 -0.191 1
1 1071 . 5 1 1 A 91 91 GLY C C 91 178.622 174.266 4.356 1
1 1072 . 5 1 1 A 91 91 GLY CA C 91 45.916 45.654 0.262 1
1 1073 . 5 1 1 A 91 91 GLY N N 91 108.097 109.024 -0.927 1
1 1074 . 5 1 1 A 92 92 VAL H H 92 7.078 7.641 -0.563 1
1 1075 . 5 1 1 A 92 92 VAL HA H 92 4.810 4.229 0.581 1
1 1083 . 5 1 1 A 92 92 VAL C C 92 176.954 175.747 1.207 1
1 1084 . 5 1 1 A 92 92 VAL CA C 92 59.083 61.742 -2.659 1
1 1085 . 5 1 1 A 92 92 VAL CB C 92 35.602 32.899 2.703 1
1 1088 . 5 1 1 A 92 92 VAL N N 92 113.901 117.725 -3.824 1
1 1089 . 5 1 1 A 93 93 CYS H H 93 9.086 8.497 0.589 1
1 1090 . 5 1 1 A 93 93 CYS HA H 93 4.118 4.784 -0.666 1
1 1093 . 5 1 1 A 93 93 CYS C C 93 173.477 176.085 -2.608 1
1 1094 . 5 1 1 A 93 93 CYS CA C 93 60.511 59.988 0.523 1
1 1095 . 5 1 1 A 93 93 CYS CB C 93 31.124 29.019 2.105 1
1 1096 . 5 1 1 A 93 93 CYS N N 93 126.248 122.379 3.869 1
1 1097 . 5 1 1 A 94 94 GLU H H 94 5.667 8.906 -3.239 1
1 1098 . 5 1 1 A 94 94 GLU HA H 94 4.073 3.935 0.138 1
1 1103 . 5 1 1 A 94 94 GLU C C 94 176.973 178.398 -1.425 1
1 1104 . 5 1 1 A 94 94 GLU CA C 94 57.434 59.606 -2.172 1
1 1105 . 5 1 1 A 94 94 GLU CB C 94 28.813 29.139 -0.326 1
1 1107 . 5 1 1 A 94 94 GLU N N 94 126.541 127.261 -0.720 1
1 1108 . 5 1 1 A 95 95 LYS H H 95 9.002 7.073 1.929 1
1 1109 . 5 1 1 A 95 95 LYS HA H 95 4.076 4.099 -0.023 1
1 1118 . 5 1 1 A 95 95 LYS C C 95 174.890 176.664 -1.774 1
1 1119 . 5 1 1 A 95 95 LYS CA C 95 57.782 58.571 -0.789 1
1 1120 . 5 1 1 A 95 95 LYS CB C 95 34.056 32.864 1.192 1
1 1124 . 5 1 1 A 95 95 LYS N N 95 123.753 118.432 5.321 1
1 1125 . 5 1 1 A 96 96 CYS H H 96 9.063 7.478 1.585 1
1 1126 . 5 1 1 A 96 96 CYS HA H 96 4.755 4.590 0.165 1
1 1129 . 5 1 1 A 96 96 CYS C C 96 174.775 173.667 1.108 1
1 1130 . 5 1 1 A 96 96 CYS CA C 96 58.756 57.302 1.454 1
1 1131 . 5 1 1 A 96 96 CYS CB C 96 32.066 29.519 2.547 1
1 1132 . 5 1 1 A 96 96 CYS N N 96 120.699 115.218 5.481 1
1 1133 . 5 1 1 A 97 97 HIS H H 97 7.541 8.594 -1.053 1
1 1134 . 5 1 1 A 97 97 HIS HA H 97 4.474 4.810 -0.336 1
1 1139 . 5 1 1 A 97 97 HIS C C 97 178.193 174.457 3.736 1
1 1140 . 5 1 1 A 97 97 HIS CA C 97 57.481 54.767 2.714 1
1 1141 . 5 1 1 A 97 97 HIS CB C 97 27.126 27.624 -0.498 1
1 1144 . 5 1 1 A 97 97 HIS N N 97 116.676 124.165 -7.489 1
1 1147 . 5 1 1 A 98 98 SER H H 98 8.775 8.161 0.614 1
1 1148 . 5 1 1 A 98 98 SER HA H 98 4.322 4.972 -0.650 1
1 1151 . 5 1 1 A 98 98 SER C C 98 176.432 173.478 2.954 1
1 1152 . 5 1 1 A 98 98 SER CA C 98 58.923 57.561 1.362 1
1 1153 . 5 1 1 A 98 98 SER CB C 98 64.790 67.159 -2.369 1
1 1154 . 5 1 1 A 98 98 SER N N 98 116.989 116.948 0.041 1
1 1155 . 5 1 1 A 99 99 LYS H H 99 8.567 8.808 -0.241 1
1 1156 . 5 1 1 A 99 99 LYS HA H 99 4.935 4.650 0.285 1
1 1165 . 5 1 1 A 99 99 LYS C C 99 173.648 177.240 -3.592 1
1 1166 . 5 1 1 A 99 99 LYS CA C 99 56.417 56.146 0.271 1
1 1167 . 5 1 1 A 99 99 LYS CB C 99 32.366 32.198 0.168 1
1 1171 . 5 1 1 A 99 99 LYS N N 99 122.510 122.614 -0.104 1
1 1172 . 5 1 1 A 100 100 ASN H H 100 9.426 8.396 1.030 1
1 1173 . 5 1 1 A 100 100 ASN HA H 100 4.916 4.595 0.321 1
1 1178 . 5 1 1 A 100 100 ASN C C 100 178.498 175.514 2.984 1
1 1179 . 5 1 1 A 100 100 ASN CA C 100 51.999 53.887 -1.888 1
1 1180 . 5 1 1 A 100 100 ASN CB C 100 36.539 37.643 -1.104 1
1 1181 . 5 1 1 A 100 100 ASN N N 100 124.489 117.690 6.799 1
1 1183 . 5 1 1 A 101 101 VAL H H 101 7.627 7.473 0.154 1
1 1184 . 5 1 1 A 101 101 VAL HA H 101 5.329 4.101 1.228 1
1 1192 . 5 1 1 A 101 101 VAL C C 101 175.484 176.014 -0.530 1
1 1193 . 5 1 1 A 101 101 VAL CA C 101 58.253 62.191 -3.938 1
1 1194 . 5 1 1 A 101 101 VAL CB C 101 34.692 32.412 2.280 1
1 1197 . 5 1 1 A 101 101 VAL N N 101 112.585 119.635 -7.050 1
1 1198 . 5 1 1 A 102 102 ILE H H 102 9.032 8.900 0.132 1
1 1199 . 5 1 1 A 102 102 ILE HA H 102 4.671 4.818 -0.147 1
1 1209 . 5 1 1 A 102 102 ILE C C 102 177.283 174.706 2.577 1
1 1210 . 5 1 1 A 102 102 ILE CA C 102 58.979 58.523 0.456 1
1 1211 . 5 1 1 A 102 102 ILE CB C 102 41.970 41.963 0.007 1
1 1215 . 5 1 1 A 102 102 ILE N N 102 119.819 120.220 -0.401 1
1 1216 . 5 1 1 A 103 103 ILE H H 103 8.364 8.907 -0.543 1
1 1217 . 5 1 1 A 103 103 ILE HA H 103 4.527 4.181 0.346 1
1 1227 . 5 1 1 A 103 103 ILE C C 103 174.186 176.433 -2.247 1
1 1228 . 5 1 1 A 103 103 ILE CA C 103 61.366 61.335 0.031 1
1 1229 . 5 1 1 A 103 103 ILE CB C 103 38.577 36.885 1.692 1
1 1233 . 5 1 1 A 103 103 ILE N N 103 123.325 124.777 -1.452 1
1 1234 . 5 1 1 A 104 104 THR H H 104 8.796 8.717 0.079 1
1 1235 . 5 1 1 A 104 104 THR HA H 104 4.260 4.353 -0.093 1
1 1240 . 5 1 1 A 104 104 THR C C 104 176.317 173.880 2.437 1
1 1241 . 5 1 1 A 104 104 THR CA C 104 62.708 63.513 -0.805 1
1 1242 . 5 1 1 A 104 104 THR CB C 104 68.431 69.766 -1.335 1
1 1244 . 5 1 1 A 104 104 THR N N 104 120.825 122.957 -2.132 1
1 1245 . 5 1 1 A 105 105 GLN H H 105 7.705 7.696 0.009 1
1 1246 . 5 1 1 A 105 105 GLN HA H 105 4.482 4.604 -0.122 1
1 1253 . 5 1 1 A 105 105 GLN C C 105 177.316 175.300 2.016 1
1 1254 . 5 1 1 A 105 105 GLN CA C 105 55.621 55.435 0.186 1
1 1255 . 5 1 1 A 105 105 GLN CB C 105 31.897 31.602 0.295 1
1 1257 . 5 1 1 A 105 105 GLN N N 105 118.599 119.926 -1.327 1
1 1259 . 5 1 1 A 106 106 GLY H H 106 9.091 8.678 0.413 1
1 1260 . 5 1 1 A 106 106 GLY HA2 H 106 3.472 4.000 -0.528 1
1 1261 . 5 1 1 A 106 106 GLY HA3 H 106 4.255 4.000 0.255 1
1 1262 . 5 1 1 A 106 106 GLY C C 106 178.226 175.546 2.680 1
1 1263 . 5 1 1 A 106 106 GLY CA C 106 45.497 45.595 -0.098 1
1 1264 . 5 1 1 A 106 106 GLY N N 106 106.938 115.008 -8.070 1
1 1265 . 5 1 1 A 107 107 ASN H H 107 8.542 8.295 0.247 1
1 1266 . 5 1 1 A 107 107 ASN HA H 107 4.670 4.436 0.234 1
1 1271 . 5 1 1 A 107 107 ASN C C 107 176.917 175.739 1.178 1
1 1272 . 5 1 1 A 107 107 ASN CA C 107 52.697 55.631 -2.934 1
1 1273 . 5 1 1 A 107 107 ASN CB C 107 39.745 39.087 0.658 1
1 1274 . 5 1 1 A 107 107 ASN N N 107 117.838 117.280 0.558 1
1 1276 . 5 1 1 A 108 108 GLU H H 108 8.050 7.632 0.418 1
1 1277 . 5 1 1 A 108 108 GLU HA H 108 4.638 4.615 0.023 1
1 1282 . 5 1 1 A 108 108 GLU C C 108 176.463 174.436 2.027 1
1 1283 . 5 1 1 A 108 108 GLU CA C 108 55.693 55.018 0.675 1
1 1284 . 5 1 1 A 108 108 GLU CB C 108 32.643 32.248 0.395 1
1 1286 . 5 1 1 A 108 108 GLU N N 108 118.542 113.436 5.106 1
1 1287 . 5 1 1 A 109 109 MET H H 109 8.431 8.565 -0.134 1
1 1288 . 5 1 1 A 109 109 MET HA H 109 5.236 4.519 0.717 1
1 1296 . 5 1 1 A 109 109 MET C C 109 176.443 175.602 0.841 1
1 1297 . 5 1 1 A 109 109 MET CA C 109 54.801 56.157 -1.356 1
1 1298 . 5 1 1 A 109 109 MET CB C 109 33.115 33.198 -0.083 1
1 1301 . 5 1 1 A 109 109 MET N N 109 121.401 121.270 0.131 1
1 1302 . 5 1 1 A 110 110 ARG H H 110 9.166 8.978 0.188 1
1 1303 . 5 1 1 A 110 110 ARG HA H 110 4.771 4.984 -0.213 1
1 1311 . 5 1 1 A 110 110 ARG C C 110 177.215 174.540 2.675 1
1 1312 . 5 1 1 A 110 110 ARG CA C 110 54.826 53.959 0.867 1
1 1313 . 5 1 1 A 110 110 ARG CB C 110 33.474 34.203 -0.729 1
1 1316 . 5 1 1 A 110 110 ARG N N 110 123.271 125.007 -1.736 1
1 1318 . 5 1 1 A 111 111 LEU H H 111 8.874 8.654 0.220 1
1 1319 . 5 1 1 A 111 111 LEU HA H 111 4.335 4.514 -0.179 1
1 1329 . 5 1 1 A 111 111 LEU C C 111 175.976 176.097 -0.121 1
1 1330 . 5 1 1 A 111 111 LEU CA C 111 55.633 55.336 0.297 1
1 1331 . 5 1 1 A 111 111 LEU CB C 111 42.413 42.220 0.193 1
1 1335 . 5 1 1 A 111 111 LEU N N 111 125.212 125.815 -0.603 1
1 1336 . 5 1 1 A 112 112 LEU HA H 112 4.432 4.126 0.306 1
1 1346 . 5 1 1 A 112 112 LEU C C 112 173.898 177.021 -3.123 1
1 1347 . 5 1 1 A 112 112 LEU CA C 112 56.230 57.092 -0.862 1
1 1348 . 5 1 1 A 112 112 LEU CB C 112 42.688 42.622 0.066 1
1 1352 . 5 1 1 A 113 113 SER H H 113 7.895 7.435 0.460 1
1 1353 . 5 1 1 A 113 113 SER HA H 113 4.509 4.834 -0.325 1
1 1356 . 5 1 1 A 113 113 SER C C 113 180.240 172.299 7.941 1
1 1357 . 5 1 1 A 113 113 SER CA C 113 58.129 57.579 0.550 1
1 1358 . 5 1 1 A 113 113 SER CB C 113 64.473 65.804 -1.331 1
1 1359 . 5 1 1 A 113 113 SER N N 113 110.894 109.178 1.716 1
1 1360 . 5 1 1 A 114 114 LEU H H 114 8.151 8.640 -0.489 1
1 1361 . 5 1 1 A 114 114 LEU HA H 114 5.086 4.918 0.168 1
1 1371 . 5 1 1 A 114 114 LEU C C 114 175.777 175.767 0.010 1
1 1372 . 5 1 1 A 114 114 LEU CA C 114 53.830 54.000 -0.170 1
1 1373 . 5 1 1 A 114 114 LEU CB C 114 46.471 44.417 2.054 1
1 1377 . 5 1 1 A 114 114 LEU N N 114 120.671 120.295 0.376 1
1 1378 . 5 1 1 A 115 115 GLU H H 115 8.666 9.094 -0.428 1
1 1379 . 5 1 1 A 115 115 GLU HA H 115 4.823 4.611 0.212 1
1 1384 . 5 1 1 A 115 115 GLU C C 115 175.727 175.597 0.130 1
1 1385 . 5 1 1 A 115 115 GLU CA C 115 55.127 56.256 -1.129 1
1 1386 . 5 1 1 A 115 115 GLU CB C 115 31.063 30.276 0.787 1
1 1388 . 5 1 1 A 115 115 GLU N N 115 122.105 125.014 -2.909 1
1 1389 . 5 1 1 A 116 116 MET H H 116 9.159 8.492 0.667 1
1 1390 . 5 1 1 A 116 116 MET HA H 116 4.989 4.574 0.415 1
1 1398 . 5 1 1 A 116 116 MET C C 116 177.447 175.950 1.497 1
1 1399 . 5 1 1 A 116 116 MET CA C 116 54.669 55.246 -0.577 1
1 1400 . 5 1 1 A 116 116 MET CB C 116 36.107 33.408 2.699 1
1 1403 . 5 1 1 A 116 116 MET N N 116 123.947 124.422 -0.475 1
1 1404 . 5 1 1 A 117 117 LEU H H 117 8.573 8.572 0.001 1
1 1405 . 5 1 1 A 117 117 LEU HA H 117 4.670 4.417 0.253 1
1 1412 . 5 1 1 A 117 117 LEU C C 117 175.990 176.033 -0.043 1
1 1413 . 5 1 1 A 117 117 LEU CA C 117 54.549 54.352 0.197 1
1 1414 . 5 1 1 A 117 117 LEU CB C 117 44.045 40.750 3.295 1
1 1417 . 5 1 1 A 117 117 LEU N N 117 122.478 124.286 -1.808 1
1 1418 . 5 1 1 A 118 118 ALA H H 118 8.714 8.248 0.466 1
1 1419 . 5 1 1 A 118 118 ALA HA H 118 4.604 4.162 0.442 1
1 1423 . 5 1 1 A 118 118 ALA C C 118 175.279 178.956 -3.677 1
1 1424 . 5 1 1 A 118 118 ALA CA C 118 52.155 55.132 -2.977 1
1 1425 . 5 1 1 A 118 118 ALA CB C 118 20.444 19.190 1.254 1
1 1426 . 5 1 1 A 118 118 ALA N N 118 127.701 127.826 -0.125 1
1 4 . 6 1 1 A 2 2 SER HA H 2 4.544 5.119 -0.575 1
1 7 . 6 1 1 A 2 2 SER CA C 2 58.424 57.784 0.640 1
1 8 . 6 1 1 A 2 2 SER CB C 2 64.017 64.416 -0.399 1
1 13 . 6 1 1 A 4 4 HIS HA H 4 4.504 4.814 -0.310 1
1 17 . 6 1 1 A 4 4 HIS C C 4 175.043 176.283 -1.240 1
1 18 . 6 1 1 A 4 4 HIS CA C 4 58.574 55.808 2.766 1
1 19 . 6 1 1 A 4 4 HIS CB C 4 30.859 31.607 -0.748 1
1 20 . 6 1 1 A 5 5 GLU H H 5 10.002 7.623 2.379 1
1 21 . 6 1 1 A 5 5 GLU HA H 5 3.831 3.747 0.084 1
1 26 . 6 1 1 A 5 5 GLU C C 5 173.758 177.257 -3.499 1
1 27 . 6 1 1 A 5 5 GLU CA C 5 61.822 58.665 3.157 1
1 28 . 6 1 1 A 5 5 GLU CB C 5 28.884 28.445 0.439 1
1 30 . 6 1 1 A 5 5 GLU N N 5 120.850 119.167 1.683 1
1 31 . 6 1 1 A 6 6 TYR H H 6 8.163 7.512 0.651 1
1 32 . 6 1 1 A 6 6 TYR HA H 6 4.066 4.572 -0.506 1
1 39 . 6 1 1 A 6 6 TYR C C 6 173.754 177.541 -3.787 1
1 40 . 6 1 1 A 6 6 TYR CA C 6 61.029 60.733 0.296 1
1 41 . 6 1 1 A 6 6 TYR CB C 6 37.391 37.085 0.306 1
1 44 . 6 1 1 A 6 6 TYR N N 6 117.171 119.481 -2.310 1
1 45 . 6 1 1 A 7 7 SER H H 7 7.929 8.229 -0.300 1
1 46 . 6 1 1 A 7 7 SER HA H 7 4.265 4.116 0.149 1
1 49 . 6 1 1 A 7 7 SER C C 7 174.434 177.388 -2.954 1
1 50 . 6 1 1 A 7 7 SER CA C 7 61.471 61.870 -0.399 1
1 51 . 6 1 1 A 7 7 SER CB C 7 62.686 63.140 -0.454 1
1 52 . 6 1 1 A 7 7 SER N N 7 116.417 116.602 -0.185 1
1 53 . 6 1 1 A 8 8 VAL H H 8 8.088 8.020 0.068 1
1 54 . 6 1 1 A 8 8 VAL HA H 8 3.795 3.733 0.062 1
1 62 . 6 1 1 A 8 8 VAL C C 8 172.652 178.442 -5.790 1
1 63 . 6 1 1 A 8 8 VAL CA C 8 66.036 66.916 -0.880 1
1 64 . 6 1 1 A 8 8 VAL CB C 8 31.811 31.718 0.093 1
1 67 . 6 1 1 A 8 8 VAL N N 8 122.514 120.451 2.063 1
1 68 . 6 1 1 A 9 9 VAL H H 9 8.255 8.326 -0.071 1
1 69 . 6 1 1 A 9 9 VAL HA H 9 3.539 3.650 -0.111 1
1 77 . 6 1 1 A 9 9 VAL C C 9 174.142 177.987 -3.845 1
1 78 . 6 1 1 A 9 9 VAL CA C 9 67.201 67.071 0.130 1
1 79 . 6 1 1 A 9 9 VAL CB C 9 30.859 31.604 -0.745 1
1 82 . 6 1 1 A 9 9 VAL N N 9 120.829 120.556 0.273 1
1 83 . 6 1 1 A 10 10 SER H H 10 8.179 8.359 -0.180 1
1 84 . 6 1 1 A 10 10 SER HA H 10 3.726 3.868 -0.142 1
1 87 . 6 1 1 A 10 10 SER C C 10 173.669 177.347 -3.678 1
1 88 . 6 1 1 A 10 10 SER CA C 10 62.397 61.543 0.854 1
1 89 . 6 1 1 A 10 10 SER CB C 10 62.470 62.770 -0.300 1
1 90 . 6 1 1 A 10 10 SER N N 10 115.937 115.439 0.498 1
1 91 . 6 1 1 A 11 11 SER H H 11 7.860 7.783 0.077 1
1 92 . 6 1 1 A 11 11 SER HA H 11 4.312 4.167 0.145 1
1 95 . 6 1 1 A 11 11 SER C C 11 174.888 177.450 -2.562 1
1 96 . 6 1 1 A 11 11 SER CA C 11 61.863 61.611 0.252 1
1 97 . 6 1 1 A 11 11 SER CB C 11 62.638 63.147 -0.509 1
1 98 . 6 1 1 A 11 11 SER N N 11 117.940 115.557 2.383 1
1 99 . 6 1 1 A 12 12 LEU H H 12 8.197 8.464 -0.267 1
1 100 . 6 1 1 A 12 12 LEU HA H 12 4.331 4.105 0.226 1
1 110 . 6 1 1 A 12 12 LEU C C 12 172.791 178.754 -5.963 1
1 111 . 6 1 1 A 12 12 LEU CA C 12 58.035 58.669 -0.634 1
1 112 . 6 1 1 A 12 12 LEU CB C 12 42.062 41.792 0.270 1
1 116 . 6 1 1 A 12 12 LEU N N 12 125.411 122.155 3.256 1
1 117 . 6 1 1 A 13 13 ILE H H 13 8.689 8.104 0.585 1
1 118 . 6 1 1 A 13 13 ILE HA H 13 3.654 3.707 -0.053 1
1 128 . 6 1 1 A 13 13 ILE C C 13 173.945 177.823 -3.878 1
1 129 . 6 1 1 A 13 13 ILE CA C 13 65.287 65.996 -0.709 1
1 130 . 6 1 1 A 13 13 ILE CB C 13 36.843 37.614 -0.771 1
1 134 . 6 1 1 A 13 13 ILE N N 13 121.352 119.672 1.680 1
1 135 . 6 1 1 A 14 14 ALA H H 14 7.692 8.446 -0.754 1
1 136 . 6 1 1 A 14 14 ALA HA H 14 4.218 4.111 0.107 1
1 140 . 6 1 1 A 14 14 ALA C C 14 170.805 180.109 -9.304 1
1 141 . 6 1 1 A 14 14 ALA CA C 14 55.484 55.308 0.176 1
1 142 . 6 1 1 A 14 14 ALA CB C 14 17.698 18.099 -0.401 1
1 143 . 6 1 1 A 14 14 ALA N N 14 121.374 122.826 -1.452 1
1 144 . 6 1 1 A 15 15 LEU H H 15 8.040 8.323 -0.283 1
1 145 . 6 1 1 A 15 15 LEU HA H 15 4.253 3.802 0.451 1
1 152 . 6 1 1 A 15 15 LEU C C 15 171.818 178.701 -6.883 1
1 153 . 6 1 1 A 15 15 LEU CA C 15 58.208 58.095 0.113 1
1 154 . 6 1 1 A 15 15 LEU CB C 15 42.286 41.993 0.293 1
1 157 . 6 1 1 A 15 15 LEU N N 15 121.328 118.279 3.049 1
1 158 . 6 1 1 A 16 16 CYS H H 16 8.587 8.430 0.157 1
1 159 . 6 1 1 A 16 16 CYS HA H 16 3.954 4.073 -0.119 1
1 162 . 6 1 1 A 16 16 CYS C C 16 174.494 176.562 -2.068 1
1 163 . 6 1 1 A 16 16 CYS CA C 16 64.933 63.120 1.813 1
1 164 . 6 1 1 A 16 16 CYS CB C 16 26.960 26.170 0.790 1
1 165 . 6 1 1 A 16 16 CYS N N 16 118.908 118.335 0.573 1
1 166 . 6 1 1 A 17 17 GLU H H 17 8.576 8.667 -0.091 1
1 167 . 6 1 1 A 17 17 GLU HA H 17 3.806 3.991 -0.185 1
1 172 . 6 1 1 A 17 17 GLU C C 17 172.225 179.009 -6.784 1
1 173 . 6 1 1 A 17 17 GLU CA C 17 60.306 59.932 0.374 1
1 174 . 6 1 1 A 17 17 GLU CB C 17 29.130 29.200 -0.070 1
1 176 . 6 1 1 A 17 17 GLU N N 17 118.419 120.618 -2.199 1
1 177 . 6 1 1 A 18 18 GLU H H 18 8.156 8.367 -0.211 1
1 178 . 6 1 1 A 18 18 GLU HA H 18 4.115 3.993 0.122 1
1 183 . 6 1 1 A 18 18 GLU C C 18 172.241 179.273 -7.032 1
1 184 . 6 1 1 A 18 18 GLU CA C 18 59.507 59.365 0.142 1
1 185 . 6 1 1 A 18 18 GLU CB C 18 29.335 29.350 -0.015 1
1 187 . 6 1 1 A 18 18 GLU N N 18 121.603 117.858 3.745 1
1 188 . 6 1 1 A 19 19 HIS H H 19 8.379 8.051 0.328 1
1 189 . 6 1 1 A 19 19 HIS HA H 19 4.174 4.393 -0.219 1
1 194 . 6 1 1 A 19 19 HIS C C 19 172.511 177.593 -5.082 1
1 195 . 6 1 1 A 19 19 HIS CA C 19 60.525 59.422 1.103 1
1 196 . 6 1 1 A 19 19 HIS CB C 19 31.354 29.849 1.505 1
1 198 . 6 1 1 A 19 19 HIS N N 19 119.634 118.737 0.897 1
1 201 . 6 1 1 A 20 20 ALA H H 20 8.568 8.156 0.412 1
1 202 . 6 1 1 A 20 20 ALA HA H 20 4.143 3.871 0.272 1
1 206 . 6 1 1 A 20 20 ALA C C 20 172.155 179.188 -7.033 1
1 207 . 6 1 1 A 20 20 ALA CA C 20 55.716 55.362 0.354 1
1 208 . 6 1 1 A 20 20 ALA CB C 20 17.682 18.352 -0.670 1
1 209 . 6 1 1 A 20 20 ALA N N 20 122.453 122.002 0.451 1
1 210 . 6 1 1 A 21 21 LYS H H 21 8.055 8.000 0.055 1
1 211 . 6 1 1 A 21 21 LYS HA H 21 4.128 3.816 0.312 1
1 220 . 6 1 1 A 21 21 LYS C C 21 170.753 178.836 -8.083 1
1 221 . 6 1 1 A 21 21 LYS CA C 21 59.469 58.991 0.478 1
1 222 . 6 1 1 A 21 21 LYS CB C 21 32.369 31.708 0.661 1
1 226 . 6 1 1 A 21 21 LYS N N 21 118.604 116.505 2.099 1
1 227 . 6 1 1 A 22 22 LYS H H 22 8.092 7.653 0.439 1
1 228 . 6 1 1 A 22 22 LYS HA H 22 4.100 3.977 0.123 1
1 237 . 6 1 1 A 22 22 LYS C C 22 174.300 178.192 -3.892 1
1 238 . 6 1 1 A 22 22 LYS CA C 22 58.920 59.432 -0.512 1
1 239 . 6 1 1 A 22 22 LYS CB C 22 32.406 32.364 0.042 1
1 243 . 6 1 1 A 22 22 LYS N N 22 119.468 119.988 -0.520 1
1 244 . 6 1 1 A 23 23 ASN H H 23 7.461 7.760 -0.299 1
1 245 . 6 1 1 A 23 23 ASN HA H 23 4.710 4.780 -0.070 1
1 248 . 6 1 1 A 23 23 ASN C C 23 178.526 174.750 3.776 1
1 249 . 6 1 1 A 23 23 ASN CA C 23 53.514 53.369 0.145 1
1 250 . 6 1 1 A 23 23 ASN CB C 23 40.124 38.972 1.152 1
1 251 . 6 1 1 A 23 23 ASN N N 23 115.166 117.014 -1.848 1
1 252 . 6 1 1 A 24 24 GLN H H 24 7.879 7.908 -0.029 1
1 253 . 6 1 1 A 24 24 GLN HA H 24 3.927 3.798 0.129 1
1 260 . 6 1 1 A 24 24 GLN C C 24 177.284 175.229 2.055 1
1 261 . 6 1 1 A 24 24 GLN CA C 24 57.083 56.753 0.330 1
1 262 . 6 1 1 A 24 24 GLN CB C 24 26.400 25.899 0.501 1
1 264 . 6 1 1 A 24 24 GLN N N 24 116.046 116.283 -0.237 1
1 266 . 6 1 1 A 25 25 ALA H H 25 8.491 8.171 0.320 1
1 267 . 6 1 1 A 25 25 ALA HA H 25 4.600 4.132 0.468 1
1 271 . 6 1 1 A 25 25 ALA C C 25 174.729 178.139 -3.410 1
1 272 . 6 1 1 A 25 25 ALA CA C 25 51.416 54.647 -3.231 1
1 273 . 6 1 1 A 25 25 ALA CB C 25 21.350 19.187 2.163 1
1 274 . 6 1 1 A 25 25 ALA N N 25 120.372 120.684 -0.312 1
1 275 . 6 1 1 A 26 26 HIS H H 26 8.476 7.749 0.727 1
1 276 . 6 1 1 A 26 26 HIS HA H 26 4.736 4.220 0.516 1
1 280 . 6 1 1 A 26 26 HIS C C 26 176.751 173.605 3.146 1
1 281 . 6 1 1 A 26 26 HIS CA C 26 56.211 57.334 -1.123 1
1 282 . 6 1 1 A 26 26 HIS CB C 26 31.838 27.242 4.596 1
1 284 . 6 1 1 A 26 26 HIS N N 26 117.648 112.252 5.396 1
1 285 . 6 1 1 A 27 27 LYS H H 27 7.540 7.376 0.164 1
1 286 . 6 1 1 A 27 27 LYS HA H 27 4.766 4.581 0.185 1
1 295 . 6 1 1 A 27 27 LYS C C 27 176.918 173.848 3.070 1
1 296 . 6 1 1 A 27 27 LYS CA C 27 55.877 55.044 0.833 1
1 297 . 6 1 1 A 27 27 LYS CB C 27 36.796 35.344 1.452 1
1 301 . 6 1 1 A 27 27 LYS N N 27 116.451 114.104 2.347 1
1 302 . 6 1 1 A 28 28 ILE H H 28 8.320 8.559 -0.239 1
1 303 . 6 1 1 A 28 28 ILE HA H 28 4.319 4.931 -0.612 1
1 310 . 6 1 1 A 28 28 ILE C C 28 176.921 175.967 0.954 1
1 311 . 6 1 1 A 28 28 ILE CA C 28 60.552 59.407 1.145 1
1 312 . 6 1 1 A 28 28 ILE CB C 28 38.843 41.462 -2.619 1
1 313 . 6 1 1 A 28 28 ILE N N 28 123.140 121.286 1.854 1
1 314 . 6 1 1 A 29 29 GLU H H 29 9.001 9.394 -0.393 1
1 315 . 6 1 1 A 29 29 GLU HA H 29 4.446 4.343 0.103 1
1 320 . 6 1 1 A 29 29 GLU C C 29 174.406 175.303 -0.897 1
1 321 . 6 1 1 A 29 29 GLU CA C 29 57.363 58.334 -0.971 1
1 322 . 6 1 1 A 29 29 GLU CB C 29 31.761 30.471 1.290 1
1 324 . 6 1 1 A 29 29 GLU N N 29 125.872 125.837 0.035 1
1 325 . 6 1 1 A 30 30 ARG H H 30 7.654 7.376 0.278 1
1 326 . 6 1 1 A 30 30 ARG HA H 30 5.282 5.107 0.175 1
1 334 . 6 1 1 A 30 30 ARG C C 30 178.750 174.770 3.980 1
1 335 . 6 1 1 A 30 30 ARG CA C 30 55.558 54.737 0.821 1
1 336 . 6 1 1 A 30 30 ARG CB C 30 34.774 35.119 -0.345 1
1 338 . 6 1 1 A 30 30 ARG N N 30 119.436 117.686 1.750 1
1 340 . 6 1 1 A 31 31 VAL H H 31 9.234 8.557 0.677 1
1 341 . 6 1 1 A 31 31 VAL HA H 31 4.397 4.810 -0.413 1
1 349 . 6 1 1 A 31 31 VAL C C 31 178.662 174.451 4.211 1
1 350 . 6 1 1 A 31 31 VAL CA C 31 60.882 60.834 0.048 1
1 351 . 6 1 1 A 31 31 VAL CB C 31 34.494 34.825 -0.331 1
1 354 . 6 1 1 A 31 31 VAL N N 31 127.428 121.005 6.423 1
1 355 . 6 1 1 A 32 32 VAL H H 32 8.626 9.283 -0.657 1
1 356 . 6 1 1 A 32 32 VAL HA H 32 5.039 4.818 0.221 1
1 364 . 6 1 1 A 32 32 VAL C C 32 175.519 175.321 0.198 1
1 365 . 6 1 1 A 32 32 VAL CA C 32 60.917 61.599 -0.682 1
1 366 . 6 1 1 A 32 32 VAL CB C 32 31.892 32.984 -1.092 1
1 368 . 6 1 1 A 32 32 VAL N N 32 126.581 128.415 -1.834 1
1 369 . 6 1 1 A 33 33 VAL H H 33 8.802 9.216 -0.414 1
1 370 . 6 1 1 A 33 33 VAL HA H 33 4.917 4.562 0.355 1
1 378 . 6 1 1 A 33 33 VAL C C 33 178.038 175.269 2.769 1
1 379 . 6 1 1 A 33 33 VAL CA C 33 58.975 60.727 -1.752 1
1 380 . 6 1 1 A 33 33 VAL CB C 33 35.109 35.224 -0.115 1
1 383 . 6 1 1 A 33 33 VAL N N 33 122.994 127.349 -4.355 1
1 384 . 6 1 1 A 34 34 GLY H H 34 9.535 9.238 0.297 1
1 385 . 6 1 1 A 34 34 GLY HA2 H 34 5.187 4.103 1.084 1
1 386 . 6 1 1 A 34 34 GLY HA3 H 34 3.404 4.107 -0.703 1
1 387 . 6 1 1 A 34 34 GLY C C 34 178.060 172.473 5.587 1
1 388 . 6 1 1 A 34 34 GLY CA C 34 44.108 44.557 -0.449 1
1 389 . 6 1 1 A 34 34 GLY N N 34 112.269 115.053 -2.784 1
1 390 . 6 1 1 A 35 35 ILE H H 35 8.761 9.196 -0.435 1
1 391 . 6 1 1 A 35 35 ILE HA H 35 4.340 4.678 -0.338 1
1 401 . 6 1 1 A 35 35 ILE C C 35 174.823 176.236 -1.413 1
1 402 . 6 1 1 A 35 35 ILE CA C 35 60.287 59.517 0.770 1
1 403 . 6 1 1 A 35 35 ILE CB C 35 39.357 41.842 -2.485 1
1 407 . 6 1 1 A 35 35 ILE N N 35 123.848 124.553 -0.705 1
1 408 . 6 1 1 A 36 36 GLY H H 36 8.439 8.615 -0.176 1
1 409 . 6 1 1 A 36 36 GLY HA2 H 36 3.321 4.054 -0.733 1
1 410 . 6 1 1 A 36 36 GLY HA3 H 36 4.444 4.056 0.388 1
1 411 . 6 1 1 A 36 36 GLY C C 36 175.743 175.153 0.590 1
1 412 . 6 1 1 A 36 36 GLY CA C 36 46.389 45.714 0.675 1
1 413 . 6 1 1 A 36 36 GLY N N 36 117.219 113.656 3.563 1
1 414 . 6 1 1 A 37 37 GLU H H 37 8.756 9.070 -0.314 1
1 415 . 6 1 1 A 37 37 GLU HA H 37 4.277 4.099 0.178 1
1 420 . 6 1 1 A 37 37 GLU C C 37 174.413 177.118 -2.705 1
1 421 . 6 1 1 A 37 37 GLU CA C 37 58.568 58.583 -0.015 1
1 422 . 6 1 1 A 37 37 GLU CB C 37 29.809 28.892 0.917 1
1 424 . 6 1 1 A 37 37 GLU N N 37 124.260 122.656 1.604 1
1 425 . 6 1 1 A 38 38 ARG H H 38 8.483 7.802 0.681 1
1 426 . 6 1 1 A 38 38 ARG HA H 38 4.594 4.457 0.137 1
1 434 . 6 1 1 A 38 38 ARG C C 38 175.250 177.516 -2.266 1
1 435 . 6 1 1 A 38 38 ARG CA C 38 54.916 55.930 -1.014 1
1 436 . 6 1 1 A 38 38 ARG CB C 38 29.706 30.831 -1.125 1
1 439 . 6 1 1 A 38 38 ARG N N 38 117.248 119.348 -2.100 1
1 441 . 6 1 1 A 39 39 SER H H 39 7.630 7.722 -0.092 1
1 442 . 6 1 1 A 39 39 SER HA H 39 4.139 4.489 -0.350 1
1 445 . 6 1 1 A 39 39 SER C C 39 176.694 173.663 3.031 1
1 446 . 6 1 1 A 39 39 SER CA C 39 59.524 58.815 0.709 1
1 447 . 6 1 1 A 39 39 SER CB C 39 64.248 63.366 0.882 1
1 448 . 6 1 1 A 39 39 SER N N 39 115.086 114.156 0.930 1
1 449 . 6 1 1 A 40 40 ALA H H 40 8.667 7.986 0.681 1
1 450 . 6 1 1 A 40 40 ALA HA H 40 4.267 3.967 0.300 1
1 454 . 6 1 1 A 40 40 ALA C C 40 174.406 176.300 -1.894 1
1 455 . 6 1 1 A 40 40 ALA CA C 40 52.641 53.450 -0.809 1
1 456 . 6 1 1 A 40 40 ALA CB C 40 17.976 17.805 0.171 1
1 457 . 6 1 1 A 40 40 ALA N N 40 126.133 122.610 3.523 1
1 458 . 6 1 1 A 41 41 MET H H 41 7.793 7.718 0.075 1
1 459 . 6 1 1 A 41 41 MET HA H 41 4.389 4.519 -0.130 1
1 467 . 6 1 1 A 41 41 MET C C 41 176.689 175.219 1.470 1
1 468 . 6 1 1 A 41 41 MET CA C 41 55.965 55.063 0.902 1
1 469 . 6 1 1 A 41 41 MET CB C 41 34.761 33.009 1.752 1
1 472 . 6 1 1 A 41 41 MET N N 41 117.758 116.900 0.858 1
1 473 . 6 1 1 A 42 42 ASP H H 42 9.667 8.725 0.942 1
1 474 . 6 1 1 A 42 42 ASP HA H 42 4.706 4.714 -0.008 1
1 477 . 6 1 1 A 42 42 ASP C C 42 174.559 177.256 -2.697 1
1 478 . 6 1 1 A 42 42 ASP CA C 42 53.363 53.822 -0.459 1
1 479 . 6 1 1 A 42 42 ASP CB C 42 41.740 39.139 2.601 1
1 480 . 6 1 1 A 42 42 ASP N N 42 125.565 124.295 1.270 1
1 481 . 6 1 1 A 43 43 LYS H H 43 8.928 8.290 0.638 1
1 482 . 6 1 1 A 43 43 LYS HA H 43 3.752 4.124 -0.372 1
1 491 . 6 1 1 A 43 43 LYS C C 43 173.737 178.775 -5.038 1
1 492 . 6 1 1 A 43 43 LYS CA C 43 60.966 59.028 1.938 1
1 493 . 6 1 1 A 43 43 LYS CB C 43 32.585 31.900 0.685 1
1 497 . 6 1 1 A 43 43 LYS N N 43 127.256 123.408 3.848 1
1 498 . 6 1 1 A 44 44 SER H H 44 8.327 7.926 0.401 1
1 499 . 6 1 1 A 44 44 SER HA H 44 4.009 4.273 -0.264 1
1 502 . 6 1 1 A 44 44 SER C C 44 174.032 177.497 -3.465 1
1 503 . 6 1 1 A 44 44 SER CA C 44 62.461 61.251 1.210 1
1 504 . 6 1 1 A 44 44 SER CB C 44 62.281 62.967 -0.686 1
1 505 . 6 1 1 A 44 44 SER N N 44 114.797 115.334 -0.537 1
1 506 . 6 1 1 A 45 45 LEU H H 45 7.878 8.182 -0.304 1
1 507 . 6 1 1 A 45 45 LEU HA H 45 4.254 4.079 0.175 1
1 517 . 6 1 1 A 45 45 LEU C C 45 172.915 179.302 -6.387 1
1 518 . 6 1 1 A 45 45 LEU CA C 45 57.128 57.791 -0.663 1
1 519 . 6 1 1 A 45 45 LEU CB C 45 41.738 42.283 -0.545 1
1 523 . 6 1 1 A 45 45 LEU N N 45 124.570 122.314 2.256 1
1 524 . 6 1 1 A 46 46 PHE H H 46 8.343 8.050 0.293 1
1 525 . 6 1 1 A 46 46 PHE HA H 46 3.882 4.223 -0.341 1
1 532 . 6 1 1 A 46 46 PHE C C 46 175.104 177.165 -2.061 1
1 533 . 6 1 1 A 46 46 PHE CA C 46 61.820 61.582 0.238 1
1 534 . 6 1 1 A 46 46 PHE CB C 46 40.047 39.212 0.835 1
1 537 . 6 1 1 A 46 46 PHE N N 46 121.059 118.832 2.227 1
1 538 . 6 1 1 A 47 47 VAL H H 47 8.370 8.110 0.260 1
1 539 . 6 1 1 A 47 47 VAL HA H 47 3.466 3.563 -0.097 1
1 547 . 6 1 1 A 47 47 VAL C C 47 173.353 177.959 -4.606 1
1 548 . 6 1 1 A 47 47 VAL CA C 47 67.220 64.655 2.565 1
1 549 . 6 1 1 A 47 47 VAL CB C 47 31.927 31.244 0.683 1
1 552 . 6 1 1 A 47 47 VAL N N 47 118.023 119.269 -1.246 1
1 553 . 6 1 1 A 48 48 SER H H 48 7.967 7.852 0.115 1
1 554 . 6 1 1 A 48 48 SER HA H 48 4.268 4.077 0.191 1
1 557 . 6 1 1 A 48 48 SER C C 48 174.187 177.183 -2.996 1
1 558 . 6 1 1 A 48 48 SER CA C 48 61.789 61.463 0.326 1
1 559 . 6 1 1 A 48 48 SER CB C 48 62.761 63.145 -0.384 1
1 560 . 6 1 1 A 48 48 SER N N 48 114.372 116.838 -2.466 1
1 561 . 6 1 1 A 49 49 ALA H H 49 8.489 7.924 0.565 1
1 562 . 6 1 1 A 49 49 ALA HA H 49 3.931 4.159 -0.228 1
1 566 . 6 1 1 A 49 49 ALA C C 49 172.626 179.484 -6.858 1
1 567 . 6 1 1 A 49 49 ALA CA C 49 55.067 54.995 0.072 1
1 568 . 6 1 1 A 49 49 ALA CB C 49 17.587 18.574 -0.987 1
1 569 . 6 1 1 A 49 49 ALA N N 49 124.199 122.995 1.204 1
1 570 . 6 1 1 A 50 50 PHE H H 50 8.510 8.354 0.156 1
1 571 . 6 1 1 A 50 50 PHE HA H 50 3.763 3.969 -0.206 1
1 578 . 6 1 1 A 50 50 PHE C C 50 174.923 177.825 -2.902 1
1 579 . 6 1 1 A 50 50 PHE CA C 50 63.098 61.499 1.599 1
1 580 . 6 1 1 A 50 50 PHE CB C 50 39.465 38.984 0.481 1
1 583 . 6 1 1 A 50 50 PHE N N 50 120.967 119.746 1.221 1
1 584 . 6 1 1 A 51 51 GLU H H 51 8.561 8.725 -0.164 1
1 585 . 6 1 1 A 51 51 GLU HA H 51 3.717 3.595 0.122 1
1 590 . 6 1 1 A 51 51 GLU C C 51 173.002 178.505 -5.503 1
1 591 . 6 1 1 A 51 51 GLU CA C 51 59.750 58.549 1.201 1
1 592 . 6 1 1 A 51 51 GLU CB C 51 29.330 28.011 1.319 1
1 594 . 6 1 1 A 51 51 GLU N N 51 116.915 117.420 -0.505 1
1 595 . 6 1 1 A 52 52 THR H H 52 7.759 7.841 -0.082 1
1 596 . 6 1 1 A 52 52 THR HA H 52 4.090 3.818 0.272 1
1 601 . 6 1 1 A 52 52 THR C C 52 174.897 176.003 -1.106 1
1 602 . 6 1 1 A 52 52 THR CA C 52 65.899 66.616 -0.717 1
1 603 . 6 1 1 A 52 52 THR CB C 52 69.172 68.577 0.595 1
1 605 . 6 1 1 A 52 52 THR N N 52 114.348 116.891 -2.543 1
1 606 . 6 1 1 A 53 53 PHE H H 53 8.725 8.027 0.698 1
1 607 . 6 1 1 A 53 53 PHE HA H 53 4.335 4.377 -0.042 1
1 614 . 6 1 1 A 53 53 PHE C C 53 172.389 178.159 -5.770 1
1 615 . 6 1 1 A 53 53 PHE CA C 53 60.011 61.957 -1.946 1
1 616 . 6 1 1 A 53 53 PHE CB C 53 38.244 37.681 0.563 1
1 619 . 6 1 1 A 53 53 PHE N N 53 120.493 118.233 2.260 1
1 620 . 6 1 1 A 54 54 ARG H H 54 8.579 8.139 0.440 1
1 621 . 6 1 1 A 54 54 ARG HA H 54 3.626 3.971 -0.345 1
1 625 . 6 1 1 A 54 54 ARG C C 54 175.195 177.839 -2.644 1
1 626 . 6 1 1 A 54 54 ARG CA C 54 59.252 58.597 0.655 1
1 627 . 6 1 1 A 54 54 ARG CB C 54 26.544 29.529 -2.985 1
1 629 . 6 1 1 A 54 54 ARG N N 54 119.132 118.418 0.714 1
1 631 . 6 1 1 A 55 55 GLU H H 55 6.758 8.557 -1.799 1
1 632 . 6 1 1 A 55 55 GLU HA H 55 3.983 3.920 0.063 1
1 637 . 6 1 1 A 55 55 GLU C C 55 174.356 179.337 -4.981 1
1 638 . 6 1 1 A 55 55 GLU CA C 55 58.002 59.425 -1.423 1
1 639 . 6 1 1 A 55 55 GLU CB C 55 29.865 29.183 0.682 1
1 641 . 6 1 1 A 55 55 GLU N N 55 115.466 118.326 -2.860 1
1 642 . 6 1 1 A 56 56 GLU H H 56 7.245 7.754 -0.509 1
1 643 . 6 1 1 A 56 56 GLU HA H 56 4.294 4.147 0.147 1
1 648 . 6 1 1 A 56 56 GLU C C 56 175.946 176.272 -0.326 1
1 649 . 6 1 1 A 56 56 GLU CA C 56 55.827 58.349 -2.522 1
1 650 . 6 1 1 A 56 56 GLU CB C 56 30.030 29.688 0.342 1
1 652 . 6 1 1 A 56 56 GLU N N 56 114.653 119.600 -4.947 1
1 653 . 6 1 1 A 57 57 SER H H 57 7.405 7.881 -0.476 1
1 654 . 6 1 1 A 57 57 SER HA H 57 4.707 4.820 -0.113 1
1 657 . 6 1 1 A 57 57 SER C C 57 176.895 174.515 2.380 1
1 658 . 6 1 1 A 57 57 SER CA C 57 55.456 56.089 -0.633 1
1 659 . 6 1 1 A 57 57 SER CB C 57 64.059 65.466 -1.407 1
1 660 . 6 1 1 A 57 57 SER N N 57 114.312 113.733 0.579 1
1 661 . 6 1 1 A 58 58 LEU H H 58 8.819 9.063 -0.244 1
1 662 . 6 1 1 A 58 58 LEU HA H 58 4.120 4.075 0.045 1
1 672 . 6 1 1 A 58 58 LEU C C 58 172.006 178.930 -6.924 1
1 673 . 6 1 1 A 58 58 LEU CA C 58 58.438 57.810 0.628 1
1 674 . 6 1 1 A 58 58 LEU CB C 58 41.839 41.363 0.476 1
1 678 . 6 1 1 A 58 58 LEU N N 58 129.477 129.881 -0.404 1
1 679 . 6 1 1 A 59 59 VAL H H 59 7.929 7.371 0.558 1
1 680 . 6 1 1 A 59 59 VAL HA H 59 4.305 4.083 0.222 1
1 688 . 6 1 1 A 59 59 VAL C C 59 173.624 178.420 -4.796 1
1 689 . 6 1 1 A 59 59 VAL CA C 59 64.028 64.668 -0.640 1
1 690 . 6 1 1 A 59 59 VAL CB C 59 33.135 31.602 1.533 1
1 693 . 6 1 1 A 59 59 VAL N N 59 112.367 114.681 -2.314 1
1 694 . 6 1 1 A 60 60 CYS H H 60 7.786 7.839 -0.053 1
1 695 . 6 1 1 A 60 60 CYS HA H 60 4.589 4.410 0.179 1
1 698 . 6 1 1 A 60 60 CYS C C 60 176.508 176.678 -0.170 1
1 699 . 6 1 1 A 60 60 CYS CA C 60 59.907 61.803 -1.896 1
1 700 . 6 1 1 A 60 60 CYS CB C 60 28.211 26.426 1.785 1
1 701 . 6 1 1 A 60 60 CYS N N 60 115.412 119.709 -4.297 1
1 702 . 6 1 1 A 61 61 LYS H H 61 7.415 7.547 -0.132 1
1 703 . 6 1 1 A 61 61 LYS HA H 61 3.820 4.162 -0.342 1
1 712 . 6 1 1 A 61 61 LYS C C 61 175.812 175.944 -0.132 1
1 713 . 6 1 1 A 61 61 LYS CA C 61 60.389 58.302 2.087 1
1 714 . 6 1 1 A 61 61 LYS CB C 61 32.606 32.169 0.437 1
1 718 . 6 1 1 A 61 61 LYS N N 61 120.942 118.940 2.002 1
1 719 . 6 1 1 A 62 62 ASP C C 62 175.254 174.742 0.512 1
1 720 . 6 1 1 A 62 62 ASP CA C 62 55.159 53.239 1.920 1
1 721 . 6 1 1 A 62 62 ASP CB C 62 42.358 41.590 0.768 1
1 722 . 6 1 1 A 64 64 ILE H H 64 7.784 8.697 -0.913 1
1 723 . 6 1 1 A 64 64 ILE HA H 64 4.126 5.025 -0.899 1
1 733 . 6 1 1 A 64 64 ILE C C 64 177.456 174.382 3.074 1
1 734 . 6 1 1 A 64 64 ILE CA C 64 60.516 59.633 0.883 1
1 735 . 6 1 1 A 64 64 ILE CB C 64 39.990 42.118 -2.128 1
1 739 . 6 1 1 A 64 64 ILE N N 64 122.653 119.104 3.549 1
1 740 . 6 1 1 A 65 65 LEU H H 65 8.357 8.909 -0.552 1
1 741 . 6 1 1 A 65 65 LEU HA H 65 4.858 5.061 -0.203 1
1 751 . 6 1 1 A 65 65 LEU C C 65 176.625 174.333 2.292 1
1 752 . 6 1 1 A 65 65 LEU CA C 65 53.315 53.249 0.066 1
1 753 . 6 1 1 A 65 65 LEU CB C 65 43.307 44.529 -1.222 1
1 757 . 6 1 1 A 65 65 LEU N N 65 128.311 127.205 1.106 1
1 758 . 6 1 1 A 66 66 ASP H H 66 9.088 9.016 0.072 1
1 759 . 6 1 1 A 66 66 ASP HA H 66 5.009 4.954 0.055 1
1 762 . 6 1 1 A 66 66 ASP C C 66 177.504 175.377 2.127 1
1 763 . 6 1 1 A 66 66 ASP CA C 66 53.137 53.485 -0.348 1
1 764 . 6 1 1 A 66 66 ASP CB C 66 44.234 41.600 2.634 1
1 765 . 6 1 1 A 66 66 ASP N N 66 129.457 126.594 2.863 1
1 766 . 6 1 1 A 67 67 ILE H H 67 8.240 8.542 -0.302 1
1 767 . 6 1 1 A 67 67 ILE HA H 67 4.759 4.312 0.447 1
1 777 . 6 1 1 A 67 67 ILE C C 67 175.569 175.545 0.024 1
1 778 . 6 1 1 A 67 67 ILE CA C 67 59.640 62.270 -2.630 1
1 779 . 6 1 1 A 67 67 ILE CB C 67 39.948 38.230 1.718 1
1 783 . 6 1 1 A 67 67 ILE N N 67 120.821 125.265 -4.444 1
1 784 . 6 1 1 A 68 68 VAL H H 68 9.310 8.789 0.521 1
1 785 . 6 1 1 A 68 68 VAL HA H 68 4.149 4.490 -0.341 1
1 793 . 6 1 1 A 68 68 VAL C C 68 176.697 174.671 2.026 1
1 794 . 6 1 1 A 68 68 VAL CA C 68 60.707 60.895 -0.188 1
1 795 . 6 1 1 A 68 68 VAL CB C 68 34.121 35.080 -0.959 1
1 798 . 6 1 1 A 68 68 VAL N N 68 130.182 128.349 1.833 1
1 799 . 6 1 1 A 69 69 ASP H H 69 8.577 8.788 -0.211 1
1 800 . 6 1 1 A 69 69 ASP HA H 69 4.847 5.007 -0.160 1
1 803 . 6 1 1 A 69 69 ASP C C 69 175.713 175.376 0.337 1
1 804 . 6 1 1 A 69 69 ASP CA C 69 54.357 53.985 0.372 1
1 805 . 6 1 1 A 69 69 ASP CB C 69 41.353 40.408 0.945 1
1 806 . 6 1 1 A 69 69 ASP N N 69 127.151 128.431 -1.280 1
1 807 . 6 1 1 A 70 70 GLU H H 70 7.857 8.699 -0.842 1
1 808 . 6 1 1 A 70 70 GLU HA H 70 4.563 4.373 0.190 1
1 813 . 6 1 1 A 70 70 GLU C C 70 176.179 176.601 -0.422 1
1 814 . 6 1 1 A 70 70 GLU CA C 70 56.333 57.361 -1.028 1
1 815 . 6 1 1 A 70 70 GLU CB C 70 31.503 30.300 1.203 1
1 817 . 6 1 1 A 70 70 GLU N N 70 123.503 123.848 -0.345 1
1 818 . 6 1 1 A 71 71 LYS H H 71 8.517 8.374 0.143 1
1 819 . 6 1 1 A 71 71 LYS HA H 71 4.261 4.136 0.125 1
1 828 . 6 1 1 A 71 71 LYS C C 71 175.084 176.516 -1.432 1
1 829 . 6 1 1 A 71 71 LYS CA C 71 55.210 56.386 -1.176 1
1 830 . 6 1 1 A 71 71 LYS CB C 71 33.019 32.747 0.272 1
1 834 . 6 1 1 A 71 71 LYS N N 71 124.197 122.645 1.552 1
1 835 . 6 1 1 A 72 72 VAL H H 72 8.612 8.724 -0.112 1
1 836 . 6 1 1 A 72 72 VAL HA H 72 4.277 5.251 -0.974 1
1 844 . 6 1 1 A 72 72 VAL C C 72 176.529 174.191 2.338 1
1 845 . 6 1 1 A 72 72 VAL CA C 72 63.133 59.242 3.891 1
1 846 . 6 1 1 A 72 72 VAL CB C 72 32.188 35.253 -3.065 1
1 849 . 6 1 1 A 72 72 VAL N N 72 119.616 113.725 5.891 1
1 850 . 6 1 1 A 73 73 GLU H H 73 7.750 8.494 -0.744 1
1 851 . 6 1 1 A 73 73 GLU HA H 73 4.469 4.768 -0.299 1
1 856 . 6 1 1 A 73 73 GLU C C 73 178.456 174.087 4.369 1
1 857 . 6 1 1 A 73 73 GLU CA C 73 55.241 55.609 -0.368 1
1 858 . 6 1 1 A 73 73 GLU CB C 73 34.536 34.325 0.211 1
1 860 . 6 1 1 A 73 73 GLU N N 73 126.126 120.369 5.757 1
1 861 . 6 1 1 A 74 74 LEU H H 74 8.495 9.105 -0.610 1
1 862 . 6 1 1 A 74 74 LEU HA H 74 5.207 5.197 0.010 1
1 869 . 6 1 1 A 74 74 LEU C C 74 176.827 175.993 0.834 1
1 870 . 6 1 1 A 74 74 LEU CA C 74 52.600 53.310 -0.710 1
1 871 . 6 1 1 A 74 74 LEU CB C 74 45.404 44.239 1.165 1
1 874 . 6 1 1 A 74 74 LEU N N 74 123.821 126.044 -2.223 1
1 875 . 6 1 1 A 75 75 GLU H H 75 8.770 8.558 0.212 1
1 876 . 6 1 1 A 75 75 GLU HA H 75 5.127 4.506 0.621 1
1 881 . 6 1 1 A 75 75 GLU C C 75 176.617 175.303 1.314 1
1 882 . 6 1 1 A 75 75 GLU CA C 75 53.748 55.285 -1.537 1
1 883 . 6 1 1 A 75 75 GLU CB C 75 33.910 30.820 3.090 1
1 885 . 6 1 1 A 75 75 GLU N N 75 118.723 123.373 -4.650 1
1 886 . 6 1 1 A 76 76 CYS H H 76 9.354 8.376 0.978 1
1 887 . 6 1 1 A 76 76 CYS HA H 76 4.665 4.605 0.060 1
1 890 . 6 1 1 A 76 76 CYS C C 76 173.085 175.596 -2.511 1
1 891 . 6 1 1 A 76 76 CYS CA C 76 59.386 58.205 1.181 1
1 892 . 6 1 1 A 76 76 CYS CB C 76 32.476 28.895 3.581 1
1 893 . 6 1 1 A 76 76 CYS N N 76 128.378 121.120 7.258 1
1 894 . 6 1 1 A 77 77 LYS H H 77 9.328 8.709 0.619 1
1 895 . 6 1 1 A 77 77 LYS HA H 77 4.279 4.065 0.214 1
1 904 . 6 1 1 A 77 77 LYS C C 77 174.709 177.037 -2.328 1
1 905 . 6 1 1 A 77 77 LYS CA C 77 56.997 59.360 -2.363 1
1 906 . 6 1 1 A 77 77 LYS CB C 77 31.240 32.615 -1.375 1
1 910 . 6 1 1 A 77 77 LYS N N 77 129.264 125.955 3.309 1
1 911 . 6 1 1 A 78 78 ASP H H 78 9.182 7.991 1.191 1
1 912 . 6 1 1 A 78 78 ASP HA H 78 4.945 4.812 0.133 1
1 915 . 6 1 1 A 78 78 ASP C C 78 173.961 174.566 -0.605 1
1 916 . 6 1 1 A 78 78 ASP CA C 78 56.797 52.629 4.168 1
1 917 . 6 1 1 A 78 78 ASP CB C 78 42.214 41.026 1.188 1
1 918 . 6 1 1 A 78 78 ASP N N 78 122.206 116.765 5.441 1
1 919 . 6 1 1 A 79 79 CYS H H 79 9.871 7.976 1.895 1
1 920 . 6 1 1 A 79 79 CYS HA H 79 5.165 4.809 0.356 1
1 923 . 6 1 1 A 79 79 CYS C C 79 174.253 173.545 0.708 1
1 924 . 6 1 1 A 79 79 CYS CA C 79 59.123 57.742 1.381 1
1 925 . 6 1 1 A 79 79 CYS CB C 79 32.286 30.122 2.164 1
1 926 . 6 1 1 A 79 79 CYS N N 79 124.020 123.002 1.018 1
1 927 . 6 1 1 A 80 80 SER H H 80 7.667 8.599 -0.932 1
1 928 . 6 1 1 A 80 80 SER HA H 80 4.564 4.782 -0.218 1
1 931 . 6 1 1 A 80 80 SER C C 80 178.621 173.393 5.228 1
1 932 . 6 1 1 A 80 80 SER CA C 80 62.038 57.472 4.566 1
1 933 . 6 1 1 A 80 80 SER CB C 80 62.215 64.906 -2.691 1
1 934 . 6 1 1 A 80 80 SER N N 80 115.904 117.403 -1.499 1
1 935 . 6 1 1 A 81 81 HIS H H 81 8.916 7.600 1.316 1
1 936 . 6 1 1 A 81 81 HIS HA H 81 4.649 4.972 -0.323 1
1 941 . 6 1 1 A 81 81 HIS C C 81 178.299 173.098 5.201 1
1 942 . 6 1 1 A 81 81 HIS CA C 81 58.348 54.809 3.539 1
1 943 . 6 1 1 A 81 81 HIS CB C 81 33.016 33.412 -0.396 1
1 946 . 6 1 1 A 81 81 HIS N N 81 125.397 120.914 4.483 1
1 949 . 6 1 1 A 82 82 VAL H H 82 7.058 7.895 -0.837 1
1 950 . 6 1 1 A 82 82 VAL HA H 82 5.212 4.565 0.647 1
1 958 . 6 1 1 A 82 82 VAL C C 82 176.161 174.147 2.014 1
1 959 . 6 1 1 A 82 82 VAL CA C 82 60.567 60.758 -0.191 1
1 960 . 6 1 1 A 82 82 VAL CB C 82 34.355 35.452 -1.097 1
1 963 . 6 1 1 A 82 82 VAL N N 82 125.314 122.378 2.936 1
1 964 . 6 1 1 A 83 83 PHE H H 83 8.883 8.406 0.477 1
1 965 . 6 1 1 A 83 83 PHE HA H 83 4.842 5.066 -0.224 1
1 972 . 6 1 1 A 83 83 PHE C C 83 179.687 172.827 6.860 1
1 973 . 6 1 1 A 83 83 PHE CA C 83 55.495 55.572 -0.077 1
1 974 . 6 1 1 A 83 83 PHE CB C 83 40.651 41.105 -0.454 1
1 978 . 6 1 1 A 83 83 PHE N N 83 122.377 122.460 -0.083 1
1 979 . 6 1 1 A 84 84 LYS H H 84 8.658 8.787 -0.129 1
1 980 . 6 1 1 A 84 84 LYS HA H 84 5.001 4.928 0.073 1
1 989 . 6 1 1 A 84 84 LYS C C 84 176.705 174.919 1.786 1
1 990 . 6 1 1 A 84 84 LYS CA C 84 52.738 53.985 -1.247 1
1 991 . 6 1 1 A 84 84 LYS CB C 84 32.660 33.706 -1.046 1
1 995 . 6 1 1 A 84 84 LYS N N 84 121.116 118.176 2.940 1
1 996 . 6 1 1 A 85 85 PRO HA H 85 4.663 4.966 -0.303 1
1 1003 . 6 1 1 A 85 85 PRO C C 85 174.722 176.130 -1.408 1
1 1004 . 6 1 1 A 85 85 PRO CA C 85 62.633 62.707 -0.074 1
1 1005 . 6 1 1 A 85 85 PRO CB C 85 32.712 31.747 0.965 1
1 1008 . 6 1 1 A 86 86 ASN H H 86 8.983 8.745 0.238 1
1 1009 . 6 1 1 A 86 86 ASN HA H 86 4.704 5.258 -0.554 1
1 1014 . 6 1 1 A 86 86 ASN C C 86 176.576 174.901 1.675 1
1 1015 . 6 1 1 A 86 86 ASN CA C 86 53.552 51.475 2.077 1
1 1016 . 6 1 1 A 86 86 ASN CB C 86 39.208 42.417 -3.209 1
1 1017 . 6 1 1 A 86 86 ASN N N 86 119.549 122.165 -2.616 1
1 1019 . 6 1 1 A 87 87 ALA H H 87 8.122 8.629 -0.507 1
1 1020 . 6 1 1 A 87 87 ALA HA H 87 4.369 4.052 0.317 1
1 1024 . 6 1 1 A 87 87 ALA C C 87 174.154 177.250 -3.096 1
1 1025 . 6 1 1 A 87 87 ALA CA C 87 52.560 54.413 -1.853 1
1 1026 . 6 1 1 A 87 87 ALA CB C 87 19.660 18.045 1.615 1
1 1027 . 6 1 1 A 87 87 ALA N N 87 122.483 121.229 1.254 1
1 1028 . 6 1 1 A 88 88 LEU H H 88 8.195 8.593 -0.398 1
1 1029 . 6 1 1 A 88 88 LEU HA H 88 4.192 4.520 -0.328 1
1 1039 . 6 1 1 A 88 88 LEU C C 88 174.871 178.037 -3.166 1
1 1040 . 6 1 1 A 88 88 LEU CA C 88 55.691 55.608 0.083 1
1 1041 . 6 1 1 A 88 88 LEU CB C 88 41.708 43.372 -1.664 1
1 1045 . 6 1 1 A 88 88 LEU N N 88 118.730 117.877 0.853 1
1 1046 . 6 1 1 A 89 89 ASP H H 89 7.902 8.265 -0.363 1
1 1047 . 6 1 1 A 89 89 ASP HA H 89 4.601 4.257 0.344 1
1 1050 . 6 1 1 A 89 89 ASP C C 89 175.940 176.929 -0.989 1
1 1051 . 6 1 1 A 89 89 ASP CA C 89 53.641 56.300 -2.659 1
1 1052 . 6 1 1 A 89 89 ASP CB C 89 40.953 40.456 0.497 1
1 1053 . 6 1 1 A 89 89 ASP N N 89 118.577 119.888 -1.311 1
1 1054 . 6 1 1 A 90 90 TYR H H 90 7.922 7.940 -0.018 1
1 1055 . 6 1 1 A 90 90 TYR HA H 90 4.551 4.867 -0.316 1
1 1062 . 6 1 1 A 90 90 TYR C C 90 175.338 176.765 -1.427 1
1 1063 . 6 1 1 A 90 90 TYR CA C 90 57.505 57.759 -0.254 1
1 1064 . 6 1 1 A 90 90 TYR CB C 90 38.147 38.872 -0.725 1
1 1067 . 6 1 1 A 90 90 TYR N N 90 121.632 116.151 5.481 1
1 1068 . 6 1 1 A 91 91 GLY H H 91 8.313 8.256 0.057 1
1 1069 . 6 1 1 A 91 91 GLY HA2 H 91 3.966 4.001 -0.035 1
1 1070 . 6 1 1 A 91 91 GLY HA3 H 91 3.784 4.013 -0.229 1
1 1071 . 6 1 1 A 91 91 GLY C C 91 178.622 174.317 4.305 1
1 1072 . 6 1 1 A 91 91 GLY CA C 91 45.916 45.643 0.273 1
1 1073 . 6 1 1 A 91 91 GLY N N 91 108.097 109.058 -0.961 1
1 1074 . 6 1 1 A 92 92 VAL H H 92 7.078 7.614 -0.536 1
1 1075 . 6 1 1 A 92 92 VAL HA H 92 4.810 4.240 0.570 1
1 1083 . 6 1 1 A 92 92 VAL C C 92 176.954 175.793 1.161 1
1 1084 . 6 1 1 A 92 92 VAL CA C 92 59.083 62.032 -2.949 1
1 1085 . 6 1 1 A 92 92 VAL CB C 92 35.602 33.265 2.337 1
1 1088 . 6 1 1 A 92 92 VAL N N 92 113.901 118.341 -4.440 1
1 1089 . 6 1 1 A 93 93 CYS H H 93 9.086 8.594 0.492 1
1 1090 . 6 1 1 A 93 93 CYS HA H 93 4.118 4.913 -0.795 1
1 1093 . 6 1 1 A 93 93 CYS C C 93 173.477 175.747 -2.270 1
1 1094 . 6 1 1 A 93 93 CYS CA C 93 60.511 59.496 1.015 1
1 1095 . 6 1 1 A 93 93 CYS CB C 93 31.124 28.868 2.256 1
1 1096 . 6 1 1 A 93 93 CYS N N 93 126.248 122.649 3.599 1
1 1097 . 6 1 1 A 94 94 GLU H H 94 5.667 9.247 -3.580 1
1 1098 . 6 1 1 A 94 94 GLU HA H 94 4.073 3.971 0.102 1
1 1103 . 6 1 1 A 94 94 GLU C C 94 176.973 178.684 -1.711 1
1 1104 . 6 1 1 A 94 94 GLU CA C 94 57.434 59.194 -1.760 1
1 1105 . 6 1 1 A 94 94 GLU CB C 94 28.813 29.944 -1.131 1
1 1107 . 6 1 1 A 94 94 GLU N N 94 126.541 126.345 0.196 1
1 1108 . 6 1 1 A 95 95 LYS H H 95 9.002 7.941 1.061 1
1 1109 . 6 1 1 A 95 95 LYS HA H 95 4.076 4.183 -0.107 1
1 1118 . 6 1 1 A 95 95 LYS C C 95 174.890 176.826 -1.936 1
1 1119 . 6 1 1 A 95 95 LYS CA C 95 57.782 58.771 -0.989 1
1 1120 . 6 1 1 A 95 95 LYS CB C 95 34.056 32.513 1.543 1
1 1124 . 6 1 1 A 95 95 LYS N N 95 123.753 118.285 5.468 1
1 1125 . 6 1 1 A 96 96 CYS H H 96 9.063 7.708 1.355 1
1 1126 . 6 1 1 A 96 96 CYS HA H 96 4.755 4.154 0.601 1
1 1129 . 6 1 1 A 96 96 CYS C C 96 174.775 174.630 0.145 1
1 1130 . 6 1 1 A 96 96 CYS CA C 96 58.756 58.852 -0.096 1
1 1131 . 6 1 1 A 96 96 CYS CB C 96 32.066 28.838 3.228 1
1 1132 . 6 1 1 A 96 96 CYS N N 96 120.699 116.645 4.054 1
1 1133 . 6 1 1 A 97 97 HIS H H 97 7.541 8.801 -1.260 1
1 1134 . 6 1 1 A 97 97 HIS HA H 97 4.474 4.923 -0.449 1
1 1139 . 6 1 1 A 97 97 HIS C C 97 178.193 174.026 4.167 1
1 1140 . 6 1 1 A 97 97 HIS CA C 97 57.481 54.972 2.509 1
1 1141 . 6 1 1 A 97 97 HIS CB C 97 27.126 29.079 -1.953 1
1 1144 . 6 1 1 A 97 97 HIS N N 97 116.676 120.422 -3.746 1
1 1147 . 6 1 1 A 98 98 SER H H 98 8.775 7.792 0.983 1
1 1148 . 6 1 1 A 98 98 SER HA H 98 4.322 5.060 -0.738 1
1 1151 . 6 1 1 A 98 98 SER C C 98 176.432 173.929 2.503 1
1 1152 . 6 1 1 A 98 98 SER CA C 98 58.923 57.374 1.549 1
1 1153 . 6 1 1 A 98 98 SER CB C 98 64.790 66.524 -1.734 1
1 1154 . 6 1 1 A 98 98 SER N N 98 116.989 115.856 1.133 1
1 1155 . 6 1 1 A 99 99 LYS H H 99 8.567 8.854 -0.287 1
1 1156 . 6 1 1 A 99 99 LYS HA H 99 4.935 4.590 0.345 1
1 1165 . 6 1 1 A 99 99 LYS C C 99 173.648 177.305 -3.657 1
1 1166 . 6 1 1 A 99 99 LYS CA C 99 56.417 56.435 -0.018 1
1 1167 . 6 1 1 A 99 99 LYS CB C 99 32.366 31.991 0.375 1
1 1171 . 6 1 1 A 99 99 LYS N N 99 122.510 124.796 -2.286 1
1 1172 . 6 1 1 A 100 100 ASN H H 100 9.426 8.294 1.132 1
1 1173 . 6 1 1 A 100 100 ASN HA H 100 4.916 4.585 0.331 1
1 1178 . 6 1 1 A 100 100 ASN C C 100 178.498 175.463 3.035 1
1 1179 . 6 1 1 A 100 100 ASN CA C 100 51.999 53.785 -1.786 1
1 1180 . 6 1 1 A 100 100 ASN CB C 100 36.539 37.563 -1.024 1
1 1181 . 6 1 1 A 100 100 ASN N N 100 124.489 117.336 7.153 1
1 1183 . 6 1 1 A 101 101 VAL H H 101 7.627 7.439 0.188 1
1 1184 . 6 1 1 A 101 101 VAL HA H 101 5.329 4.112 1.217 1
1 1192 . 6 1 1 A 101 101 VAL C C 101 175.484 176.004 -0.520 1
1 1193 . 6 1 1 A 101 101 VAL CA C 101 58.253 62.197 -3.944 1
1 1194 . 6 1 1 A 101 101 VAL CB C 101 34.692 32.395 2.297 1
1 1197 . 6 1 1 A 101 101 VAL N N 101 112.585 118.936 -6.351 1
1 1198 . 6 1 1 A 102 102 ILE H H 102 9.032 8.886 0.146 1
1 1199 . 6 1 1 A 102 102 ILE HA H 102 4.671 4.790 -0.119 1
1 1209 . 6 1 1 A 102 102 ILE C C 102 177.283 174.753 2.530 1
1 1210 . 6 1 1 A 102 102 ILE CA C 102 58.979 58.436 0.543 1
1 1211 . 6 1 1 A 102 102 ILE CB C 102 41.970 41.681 0.289 1
1 1215 . 6 1 1 A 102 102 ILE N N 102 119.819 120.560 -0.741 1
1 1216 . 6 1 1 A 103 103 ILE H H 103 8.364 8.931 -0.567 1
1 1217 . 6 1 1 A 103 103 ILE HA H 103 4.527 4.083 0.444 1
1 1227 . 6 1 1 A 103 103 ILE C C 103 174.186 176.460 -2.274 1
1 1228 . 6 1 1 A 103 103 ILE CA C 103 61.366 61.487 -0.121 1
1 1229 . 6 1 1 A 103 103 ILE CB C 103 38.577 36.846 1.731 1
1 1233 . 6 1 1 A 103 103 ILE N N 103 123.325 125.240 -1.915 1
1 1234 . 6 1 1 A 104 104 THR H H 104 8.796 8.968 -0.172 1
1 1235 . 6 1 1 A 104 104 THR HA H 104 4.260 4.396 -0.136 1
1 1240 . 6 1 1 A 104 104 THR C C 104 176.317 173.917 2.400 1
1 1241 . 6 1 1 A 104 104 THR CA C 104 62.708 62.987 -0.279 1
1 1242 . 6 1 1 A 104 104 THR CB C 104 68.431 69.795 -1.364 1
1 1244 . 6 1 1 A 104 104 THR N N 104 120.825 122.308 -1.483 1
1 1245 . 6 1 1 A 105 105 GLN H H 105 7.705 7.298 0.407 1
1 1246 . 6 1 1 A 105 105 GLN HA H 105 4.482 4.590 -0.108 1
1 1253 . 6 1 1 A 105 105 GLN C C 105 177.316 175.258 2.058 1
1 1254 . 6 1 1 A 105 105 GLN CA C 105 55.621 55.257 0.364 1
1 1255 . 6 1 1 A 105 105 GLN CB C 105 31.897 31.493 0.404 1
1 1257 . 6 1 1 A 105 105 GLN N N 105 118.599 120.254 -1.655 1
1 1259 . 6 1 1 A 106 106 GLY H H 106 9.091 8.673 0.418 1
1 1260 . 6 1 1 A 106 106 GLY HA2 H 106 3.472 3.982 -0.510 1
1 1261 . 6 1 1 A 106 106 GLY HA3 H 106 4.255 3.986 0.269 1
1 1262 . 6 1 1 A 106 106 GLY C C 106 178.226 175.190 3.036 1
1 1263 . 6 1 1 A 106 106 GLY CA C 106 45.497 45.536 -0.039 1
1 1264 . 6 1 1 A 106 106 GLY N N 106 106.938 115.048 -8.110 1
1 1265 . 6 1 1 A 107 107 ASN H H 107 8.542 7.972 0.570 1
1 1266 . 6 1 1 A 107 107 ASN HA H 107 4.670 4.387 0.283 1
1 1271 . 6 1 1 A 107 107 ASN C C 107 176.917 174.862 2.055 1
1 1272 . 6 1 1 A 107 107 ASN CA C 107 52.697 55.721 -3.024 1
1 1273 . 6 1 1 A 107 107 ASN CB C 107 39.745 39.073 0.672 1
1 1274 . 6 1 1 A 107 107 ASN N N 107 117.838 120.157 -2.319 1
1 1276 . 6 1 1 A 108 108 GLU H H 108 8.050 7.759 0.291 1
1 1277 . 6 1 1 A 108 108 GLU HA H 108 4.638 4.687 -0.049 1
1 1282 . 6 1 1 A 108 108 GLU C C 108 176.463 175.907 0.556 1
1 1283 . 6 1 1 A 108 108 GLU CA C 108 55.693 54.507 1.186 1
1 1284 . 6 1 1 A 108 108 GLU CB C 108 32.643 34.657 -2.014 1
1 1286 . 6 1 1 A 108 108 GLU N N 108 118.542 115.498 3.044 1
1 1287 . 6 1 1 A 109 109 MET H H 109 8.431 8.556 -0.125 1
1 1288 . 6 1 1 A 109 109 MET HA H 109 5.236 4.651 0.585 1
1 1296 . 6 1 1 A 109 109 MET C C 109 176.443 175.704 0.739 1
1 1297 . 6 1 1 A 109 109 MET CA C 109 54.801 54.940 -0.139 1
1 1298 . 6 1 1 A 109 109 MET CB C 109 33.115 33.384 -0.269 1
1 1301 . 6 1 1 A 109 109 MET N N 109 121.401 120.702 0.699 1
1 1302 . 6 1 1 A 110 110 ARG H H 110 9.166 8.789 0.377 1
1 1303 . 6 1 1 A 110 110 ARG HA H 110 4.771 4.830 -0.059 1
1 1311 . 6 1 1 A 110 110 ARG C C 110 177.215 175.911 1.304 1
1 1312 . 6 1 1 A 110 110 ARG CA C 110 54.826 54.064 0.762 1
1 1313 . 6 1 1 A 110 110 ARG CB C 110 33.474 34.227 -0.753 1
1 1316 . 6 1 1 A 110 110 ARG N N 110 123.271 120.372 2.899 1
1 1318 . 6 1 1 A 111 111 LEU H H 111 8.874 8.505 0.369 1
1 1319 . 6 1 1 A 111 111 LEU HA H 111 4.335 4.399 -0.064 1
1 1329 . 6 1 1 A 111 111 LEU C C 111 175.976 176.524 -0.548 1
1 1330 . 6 1 1 A 111 111 LEU CA C 111 55.633 54.990 0.643 1
1 1331 . 6 1 1 A 111 111 LEU CB C 111 42.413 43.115 -0.702 1
1 1335 . 6 1 1 A 111 111 LEU N N 111 125.212 120.734 4.478 1
1 1336 . 6 1 1 A 112 112 LEU HA H 112 4.432 4.458 -0.026 1
1 1346 . 6 1 1 A 112 112 LEU C C 112 173.898 176.471 -2.573 1
1 1347 . 6 1 1 A 112 112 LEU CA C 112 56.230 55.928 0.302 1
1 1348 . 6 1 1 A 112 112 LEU CB C 112 42.688 43.097 -0.409 1
1 1352 . 6 1 1 A 113 113 SER H H 113 7.895 7.120 0.775 1
1 1353 . 6 1 1 A 113 113 SER HA H 113 4.509 4.609 -0.100 1
1 1356 . 6 1 1 A 113 113 SER C C 113 180.240 171.978 8.262 1
1 1357 . 6 1 1 A 113 113 SER CA C 113 58.129 57.055 1.074 1
1 1358 . 6 1 1 A 113 113 SER CB C 113 64.473 64.754 -0.281 1
1 1359 . 6 1 1 A 113 113 SER N N 113 110.894 109.287 1.607 1
1 1360 . 6 1 1 A 114 114 LEU H H 114 8.151 8.266 -0.115 1
1 1361 . 6 1 1 A 114 114 LEU HA H 114 5.086 5.151 -0.065 1
1 1371 . 6 1 1 A 114 114 LEU C C 114 175.777 175.631 0.146 1
1 1372 . 6 1 1 A 114 114 LEU CA C 114 53.830 53.781 0.049 1
1 1373 . 6 1 1 A 114 114 LEU CB C 114 46.471 45.812 0.659 1
1 1377 . 6 1 1 A 114 114 LEU N N 114 120.671 122.454 -1.783 1
1 1378 . 6 1 1 A 115 115 GLU H H 115 8.666 8.795 -0.129 1
1 1379 . 6 1 1 A 115 115 GLU HA H 115 4.823 5.132 -0.309 1
1 1384 . 6 1 1 A 115 115 GLU C C 115 175.727 175.378 0.349 1
1 1385 . 6 1 1 A 115 115 GLU CA C 115 55.127 54.339 0.788 1
1 1386 . 6 1 1 A 115 115 GLU CB C 115 31.063 33.483 -2.420 1
1 1388 . 6 1 1 A 115 115 GLU N N 115 122.105 119.865 2.240 1
1 1389 . 6 1 1 A 116 116 MET H H 116 9.159 8.678 0.481 1
1 1390 . 6 1 1 A 116 116 MET HA H 116 4.989 5.217 -0.228 1
1 1398 . 6 1 1 A 116 116 MET C C 116 177.447 174.497 2.950 1
1 1399 . 6 1 1 A 116 116 MET CA C 116 54.669 54.174 0.495 1
1 1400 . 6 1 1 A 116 116 MET CB C 116 36.107 37.461 -1.354 1
1 1403 . 6 1 1 A 116 116 MET N N 116 123.947 121.755 2.192 1
1 1404 . 6 1 1 A 117 117 LEU H H 117 8.573 8.884 -0.311 1
1 1405 . 6 1 1 A 117 117 LEU HA H 117 4.670 4.902 -0.232 1
1 1412 . 6 1 1 A 117 117 LEU C C 117 175.990 176.074 -0.084 1
1 1413 . 6 1 1 A 117 117 LEU CA C 117 54.549 54.279 0.270 1
1 1414 . 6 1 1 A 117 117 LEU CB C 117 44.045 43.636 0.409 1
1 1417 . 6 1 1 A 117 117 LEU N N 117 122.478 122.094 0.384 1
1 1418 . 6 1 1 A 118 118 ALA H H 118 8.714 8.460 0.254 1
1 1419 . 6 1 1 A 118 118 ALA HA H 118 4.604 4.636 -0.032 1
1 1423 . 6 1 1 A 118 118 ALA C C 118 175.279 177.431 -2.152 1
1 1424 . 6 1 1 A 118 118 ALA CA C 118 52.155 51.732 0.423 1
1 1425 . 6 1 1 A 118 118 ALA CB C 118 20.444 21.010 -0.566 1
1 1426 . 6 1 1 A 118 118 ALA N N 118 127.701 125.865 1.836 1
1 4 . 7 1 1 A 2 2 SER HA H 2 4.544 4.612 -0.068 1
1 7 . 7 1 1 A 2 2 SER CA C 2 58.424 57.624 0.800 1
1 8 . 7 1 1 A 2 2 SER CB C 2 64.017 61.833 2.184 1
1 13 . 7 1 1 A 4 4 HIS HA H 4 4.504 4.131 0.373 1
1 17 . 7 1 1 A 4 4 HIS C C 4 175.043 177.023 -1.980 1
1 18 . 7 1 1 A 4 4 HIS CA C 4 58.574 60.251 -1.677 1
1 19 . 7 1 1 A 4 4 HIS CB C 4 30.859 30.080 0.779 1
1 20 . 7 1 1 A 5 5 GLU H H 5 10.002 8.314 1.688 1
1 21 . 7 1 1 A 5 5 GLU HA H 5 3.831 3.869 -0.038 1
1 26 . 7 1 1 A 5 5 GLU C C 5 173.758 177.905 -4.147 1
1 27 . 7 1 1 A 5 5 GLU CA C 5 61.822 59.471 2.351 1
1 28 . 7 1 1 A 5 5 GLU CB C 5 28.884 29.424 -0.540 1
1 30 . 7 1 1 A 5 5 GLU N N 5 120.850 118.536 2.314 1
1 31 . 7 1 1 A 6 6 TYR H H 6 8.163 7.337 0.826 1
1 32 . 7 1 1 A 6 6 TYR HA H 6 4.066 4.338 -0.272 1
1 39 . 7 1 1 A 6 6 TYR C C 6 173.754 176.841 -3.087 1
1 40 . 7 1 1 A 6 6 TYR CA C 6 61.029 59.162 1.867 1
1 41 . 7 1 1 A 6 6 TYR CB C 6 37.391 37.554 -0.163 1
1 44 . 7 1 1 A 6 6 TYR N N 6 117.171 118.869 -1.698 1
1 45 . 7 1 1 A 7 7 SER H H 7 7.929 7.973 -0.044 1
1 46 . 7 1 1 A 7 7 SER HA H 7 4.265 4.147 0.118 1
1 49 . 7 1 1 A 7 7 SER C C 7 174.434 177.130 -2.696 1
1 50 . 7 1 1 A 7 7 SER CA C 7 61.471 61.834 -0.363 1
1 51 . 7 1 1 A 7 7 SER CB C 7 62.686 63.091 -0.405 1
1 52 . 7 1 1 A 7 7 SER N N 7 116.417 117.031 -0.614 1
1 53 . 7 1 1 A 8 8 VAL H H 8 8.088 8.043 0.045 1
1 54 . 7 1 1 A 8 8 VAL HA H 8 3.795 3.736 0.059 1
1 62 . 7 1 1 A 8 8 VAL C C 8 172.652 178.322 -5.670 1
1 63 . 7 1 1 A 8 8 VAL CA C 8 66.036 66.923 -0.887 1
1 64 . 7 1 1 A 8 8 VAL CB C 8 31.811 31.763 0.048 1
1 67 . 7 1 1 A 8 8 VAL N N 8 122.514 120.678 1.836 1
1 68 . 7 1 1 A 9 9 VAL H H 9 8.255 8.185 0.070 1
1 69 . 7 1 1 A 9 9 VAL HA H 9 3.539 3.645 -0.106 1
1 77 . 7 1 1 A 9 9 VAL C C 9 174.142 178.026 -3.884 1
1 78 . 7 1 1 A 9 9 VAL CA C 9 67.201 66.949 0.252 1
1 79 . 7 1 1 A 9 9 VAL CB C 9 30.859 31.347 -0.488 1
1 82 . 7 1 1 A 9 9 VAL N N 9 120.829 120.380 0.449 1
1 83 . 7 1 1 A 10 10 SER H H 10 8.179 8.235 -0.056 1
1 84 . 7 1 1 A 10 10 SER HA H 10 3.726 4.196 -0.470 1
1 87 . 7 1 1 A 10 10 SER C C 10 173.669 177.533 -3.864 1
1 88 . 7 1 1 A 10 10 SER CA C 10 62.397 61.781 0.616 1
1 89 . 7 1 1 A 10 10 SER CB C 10 62.470 62.967 -0.497 1
1 90 . 7 1 1 A 10 10 SER N N 10 115.937 115.362 0.575 1
1 91 . 7 1 1 A 11 11 SER H H 11 7.860 8.115 -0.255 1
1 92 . 7 1 1 A 11 11 SER HA H 11 4.312 4.208 0.104 1
1 95 . 7 1 1 A 11 11 SER C C 11 174.888 176.016 -1.128 1
1 96 . 7 1 1 A 11 11 SER CA C 11 61.863 62.522 -0.659 1
1 97 . 7 1 1 A 11 11 SER CB C 11 62.638 63.286 -0.648 1
1 98 . 7 1 1 A 11 11 SER N N 11 117.940 117.320 0.620 1
1 99 . 7 1 1 A 12 12 LEU H H 12 8.197 8.523 -0.326 1
1 100 . 7 1 1 A 12 12 LEU HA H 12 4.331 3.905 0.426 1
1 110 . 7 1 1 A 12 12 LEU C C 12 172.791 179.123 -6.332 1
1 111 . 7 1 1 A 12 12 LEU CA C 12 58.035 58.213 -0.178 1
1 112 . 7 1 1 A 12 12 LEU CB C 12 42.062 42.363 -0.301 1
1 116 . 7 1 1 A 12 12 LEU N N 12 125.411 120.337 5.074 1
1 117 . 7 1 1 A 13 13 ILE H H 13 8.689 8.273 0.416 1
1 118 . 7 1 1 A 13 13 ILE HA H 13 3.654 3.765 -0.111 1
1 128 . 7 1 1 A 13 13 ILE C C 13 173.945 178.126 -4.181 1
1 129 . 7 1 1 A 13 13 ILE CA C 13 65.287 65.771 -0.484 1
1 130 . 7 1 1 A 13 13 ILE CB C 13 36.843 37.900 -1.057 1
1 134 . 7 1 1 A 13 13 ILE N N 13 121.352 118.561 2.791 1
1 135 . 7 1 1 A 14 14 ALA H H 14 7.692 8.356 -0.664 1
1 136 . 7 1 1 A 14 14 ALA HA H 14 4.218 4.141 0.077 1
1 140 . 7 1 1 A 14 14 ALA C C 14 170.805 179.819 -9.014 1
1 141 . 7 1 1 A 14 14 ALA CA C 14 55.484 55.374 0.110 1
1 142 . 7 1 1 A 14 14 ALA CB C 14 17.698 18.414 -0.716 1
1 143 . 7 1 1 A 14 14 ALA N N 14 121.374 122.826 -1.452 1
1 144 . 7 1 1 A 15 15 LEU H H 15 8.040 8.175 -0.135 1
1 145 . 7 1 1 A 15 15 LEU HA H 15 4.253 4.107 0.146 1
1 152 . 7 1 1 A 15 15 LEU C C 15 171.818 178.778 -6.960 1
1 153 . 7 1 1 A 15 15 LEU CA C 15 58.208 57.873 0.335 1
1 154 . 7 1 1 A 15 15 LEU CB C 15 42.286 41.534 0.752 1
1 157 . 7 1 1 A 15 15 LEU N N 15 121.328 119.667 1.661 1
1 158 . 7 1 1 A 16 16 CYS H H 16 8.587 8.724 -0.137 1
1 159 . 7 1 1 A 16 16 CYS HA H 16 3.954 4.168 -0.214 1
1 162 . 7 1 1 A 16 16 CYS C C 16 174.494 177.328 -2.834 1
1 163 . 7 1 1 A 16 16 CYS CA C 16 64.933 63.661 1.272 1
1 164 . 7 1 1 A 16 16 CYS CB C 16 26.960 26.645 0.315 1
1 165 . 7 1 1 A 16 16 CYS N N 16 118.908 117.944 0.964 1
1 166 . 7 1 1 A 17 17 GLU H H 17 8.576 8.399 0.177 1
1 167 . 7 1 1 A 17 17 GLU HA H 17 3.806 3.989 -0.183 1
1 172 . 7 1 1 A 17 17 GLU C C 17 172.225 178.719 -6.494 1
1 173 . 7 1 1 A 17 17 GLU CA C 17 60.306 59.807 0.499 1
1 174 . 7 1 1 A 17 17 GLU CB C 17 29.130 29.089 0.041 1
1 176 . 7 1 1 A 17 17 GLU N N 17 118.419 121.488 -3.069 1
1 177 . 7 1 1 A 18 18 GLU H H 18 8.156 8.303 -0.147 1
1 178 . 7 1 1 A 18 18 GLU HA H 18 4.115 3.972 0.143 1
1 183 . 7 1 1 A 18 18 GLU C C 18 172.241 179.388 -7.147 1
1 184 . 7 1 1 A 18 18 GLU CA C 18 59.507 59.463 0.044 1
1 185 . 7 1 1 A 18 18 GLU CB C 18 29.335 29.371 -0.036 1
1 187 . 7 1 1 A 18 18 GLU N N 18 121.603 119.386 2.217 1
1 188 . 7 1 1 A 19 19 HIS H H 19 8.379 7.991 0.388 1
1 189 . 7 1 1 A 19 19 HIS HA H 19 4.174 4.390 -0.216 1
1 194 . 7 1 1 A 19 19 HIS C C 19 172.511 177.834 -5.323 1
1 195 . 7 1 1 A 19 19 HIS CA C 19 60.525 59.551 0.974 1
1 196 . 7 1 1 A 19 19 HIS CB C 19 31.354 29.719 1.635 1
1 198 . 7 1 1 A 19 19 HIS N N 19 119.634 118.974 0.660 1
1 201 . 7 1 1 A 20 20 ALA H H 20 8.568 8.412 0.156 1
1 202 . 7 1 1 A 20 20 ALA HA H 20 4.143 3.878 0.265 1
1 206 . 7 1 1 A 20 20 ALA C C 20 172.155 179.596 -7.441 1
1 207 . 7 1 1 A 20 20 ALA CA C 20 55.716 55.365 0.351 1
1 208 . 7 1 1 A 20 20 ALA CB C 20 17.682 18.276 -0.594 1
1 209 . 7 1 1 A 20 20 ALA N N 20 122.453 122.328 0.125 1
1 210 . 7 1 1 A 21 21 LYS H H 21 8.055 7.971 0.084 1
1 211 . 7 1 1 A 21 21 LYS HA H 21 4.128 3.884 0.244 1
1 220 . 7 1 1 A 21 21 LYS C C 21 170.753 178.590 -7.837 1
1 221 . 7 1 1 A 21 21 LYS CA C 21 59.469 58.532 0.937 1
1 222 . 7 1 1 A 21 21 LYS CB C 21 32.369 31.338 1.031 1
1 226 . 7 1 1 A 21 21 LYS N N 21 118.604 116.344 2.260 1
1 227 . 7 1 1 A 22 22 LYS H H 22 8.092 7.544 0.548 1
1 228 . 7 1 1 A 22 22 LYS HA H 22 4.100 4.040 0.060 1
1 237 . 7 1 1 A 22 22 LYS C C 22 174.300 177.987 -3.687 1
1 238 . 7 1 1 A 22 22 LYS CA C 22 58.920 59.202 -0.282 1
1 239 . 7 1 1 A 22 22 LYS CB C 22 32.406 32.289 0.117 1
1 243 . 7 1 1 A 22 22 LYS N N 22 119.468 119.965 -0.497 1
1 244 . 7 1 1 A 23 23 ASN H H 23 7.461 8.058 -0.597 1
1 245 . 7 1 1 A 23 23 ASN HA H 23 4.710 4.804 -0.094 1
1 248 . 7 1 1 A 23 23 ASN C C 23 178.526 174.819 3.707 1
1 249 . 7 1 1 A 23 23 ASN CA C 23 53.514 53.394 0.120 1
1 250 . 7 1 1 A 23 23 ASN CB C 23 40.124 39.000 1.124 1
1 251 . 7 1 1 A 23 23 ASN N N 23 115.166 117.176 -2.010 1
1 252 . 7 1 1 A 24 24 GLN H H 24 7.879 7.997 -0.118 1
1 253 . 7 1 1 A 24 24 GLN HA H 24 3.927 3.932 -0.005 1
1 260 . 7 1 1 A 24 24 GLN C C 24 177.284 175.686 1.598 1
1 261 . 7 1 1 A 24 24 GLN CA C 24 57.083 56.787 0.296 1
1 262 . 7 1 1 A 24 24 GLN CB C 24 26.400 26.168 0.232 1
1 264 . 7 1 1 A 24 24 GLN N N 24 116.046 116.390 -0.344 1
1 266 . 7 1 1 A 25 25 ALA H H 25 8.491 8.167 0.324 1
1 267 . 7 1 1 A 25 25 ALA HA H 25 4.600 4.211 0.389 1
1 271 . 7 1 1 A 25 25 ALA C C 25 174.729 178.102 -3.373 1
1 272 . 7 1 1 A 25 25 ALA CA C 25 51.416 54.438 -3.022 1
1 273 . 7 1 1 A 25 25 ALA CB C 25 21.350 19.362 1.988 1
1 274 . 7 1 1 A 25 25 ALA N N 25 120.372 120.801 -0.429 1
1 275 . 7 1 1 A 26 26 HIS H H 26 8.476 7.854 0.622 1
1 276 . 7 1 1 A 26 26 HIS HA H 26 4.736 4.163 0.573 1
1 280 . 7 1 1 A 26 26 HIS C C 26 176.751 173.507 3.244 1
1 281 . 7 1 1 A 26 26 HIS CA C 26 56.211 57.284 -1.073 1
1 282 . 7 1 1 A 26 26 HIS CB C 26 31.838 27.134 4.704 1
1 284 . 7 1 1 A 26 26 HIS N N 26 117.648 112.197 5.451 1
1 285 . 7 1 1 A 27 27 LYS H H 27 7.540 7.388 0.152 1
1 286 . 7 1 1 A 27 27 LYS HA H 27 4.766 4.660 0.106 1
1 295 . 7 1 1 A 27 27 LYS C C 27 176.918 173.888 3.030 1
1 296 . 7 1 1 A 27 27 LYS CA C 27 55.877 55.025 0.852 1
1 297 . 7 1 1 A 27 27 LYS CB C 27 36.796 34.824 1.972 1
1 301 . 7 1 1 A 27 27 LYS N N 27 116.451 113.015 3.436 1
1 302 . 7 1 1 A 28 28 ILE H H 28 8.320 8.812 -0.492 1
1 303 . 7 1 1 A 28 28 ILE HA H 28 4.319 4.850 -0.531 1
1 310 . 7 1 1 A 28 28 ILE C C 28 176.921 175.950 0.971 1
1 311 . 7 1 1 A 28 28 ILE CA C 28 60.552 59.569 0.983 1
1 312 . 7 1 1 A 28 28 ILE CB C 28 38.843 40.706 -1.863 1
1 313 . 7 1 1 A 28 28 ILE N N 28 123.140 121.417 1.723 1
1 314 . 7 1 1 A 29 29 GLU H H 29 9.001 9.402 -0.401 1
1 315 . 7 1 1 A 29 29 GLU HA H 29 4.446 4.534 -0.088 1
1 320 . 7 1 1 A 29 29 GLU C C 29 174.406 175.775 -1.369 1
1 321 . 7 1 1 A 29 29 GLU CA C 29 57.363 57.964 -0.601 1
1 322 . 7 1 1 A 29 29 GLU CB C 29 31.761 32.327 -0.566 1
1 324 . 7 1 1 A 29 29 GLU N N 29 125.872 124.851 1.021 1
1 325 . 7 1 1 A 30 30 ARG H H 30 7.654 7.615 0.039 1
1 326 . 7 1 1 A 30 30 ARG HA H 30 5.282 4.908 0.374 1
1 334 . 7 1 1 A 30 30 ARG C C 30 178.750 174.384 4.366 1
1 335 . 7 1 1 A 30 30 ARG CA C 30 55.558 55.363 0.195 1
1 336 . 7 1 1 A 30 30 ARG CB C 30 34.774 33.136 1.638 1
1 338 . 7 1 1 A 30 30 ARG N N 30 119.436 118.763 0.673 1
1 340 . 7 1 1 A 31 31 VAL H H 31 9.234 8.650 0.584 1
1 341 . 7 1 1 A 31 31 VAL HA H 31 4.397 4.449 -0.052 1
1 349 . 7 1 1 A 31 31 VAL C C 31 178.662 175.444 3.218 1
1 350 . 7 1 1 A 31 31 VAL CA C 31 60.882 61.488 -0.606 1
1 351 . 7 1 1 A 31 31 VAL CB C 31 34.494 32.817 1.677 1
1 354 . 7 1 1 A 31 31 VAL N N 31 127.428 124.344 3.084 1
1 355 . 7 1 1 A 32 32 VAL H H 32 8.626 8.575 0.051 1
1 356 . 7 1 1 A 32 32 VAL HA H 32 5.039 4.841 0.198 1
1 364 . 7 1 1 A 32 32 VAL C C 32 175.519 174.716 0.803 1
1 365 . 7 1 1 A 32 32 VAL CA C 32 60.917 60.918 -0.001 1
1 366 . 7 1 1 A 32 32 VAL CB C 32 31.892 34.263 -2.371 1
1 368 . 7 1 1 A 32 32 VAL N N 32 126.581 122.804 3.777 1
1 369 . 7 1 1 A 33 33 VAL H H 33 8.802 9.324 -0.522 1
1 370 . 7 1 1 A 33 33 VAL HA H 33 4.917 4.596 0.321 1
1 378 . 7 1 1 A 33 33 VAL C C 33 178.038 175.276 2.762 1
1 379 . 7 1 1 A 33 33 VAL CA C 33 58.975 60.759 -1.784 1
1 380 . 7 1 1 A 33 33 VAL CB C 33 35.109 34.992 0.117 1
1 383 . 7 1 1 A 33 33 VAL N N 33 122.994 127.026 -4.032 1
1 384 . 7 1 1 A 34 34 GLY H H 34 9.535 9.060 0.475 1
1 385 . 7 1 1 A 34 34 GLY HA2 H 34 5.187 4.001 1.186 1
1 386 . 7 1 1 A 34 34 GLY HA3 H 34 3.404 4.007 -0.603 1
1 387 . 7 1 1 A 34 34 GLY C C 34 178.060 172.681 5.379 1
1 388 . 7 1 1 A 34 34 GLY CA C 34 44.108 45.080 -0.972 1
1 389 . 7 1 1 A 34 34 GLY N N 34 112.269 115.132 -2.863 1
1 390 . 7 1 1 A 35 35 ILE H H 35 8.761 9.238 -0.477 1
1 391 . 7 1 1 A 35 35 ILE HA H 35 4.340 4.677 -0.337 1
1 401 . 7 1 1 A 35 35 ILE C C 35 174.823 176.235 -1.412 1
1 402 . 7 1 1 A 35 35 ILE CA C 35 60.287 59.483 0.804 1
1 403 . 7 1 1 A 35 35 ILE CB C 35 39.357 41.369 -2.012 1
1 407 . 7 1 1 A 35 35 ILE N N 35 123.848 124.857 -1.009 1
1 408 . 7 1 1 A 36 36 GLY H H 36 8.439 8.593 -0.154 1
1 409 . 7 1 1 A 36 36 GLY HA2 H 36 3.321 4.087 -0.766 1
1 410 . 7 1 1 A 36 36 GLY HA3 H 36 4.444 4.092 0.352 1
1 411 . 7 1 1 A 36 36 GLY C C 36 175.743 174.881 0.862 1
1 412 . 7 1 1 A 36 36 GLY CA C 36 46.389 45.709 0.680 1
1 413 . 7 1 1 A 36 36 GLY N N 36 117.219 113.589 3.630 1
1 414 . 7 1 1 A 37 37 GLU H H 37 8.756 9.112 -0.356 1
1 415 . 7 1 1 A 37 37 GLU HA H 37 4.277 4.103 0.174 1
1 420 . 7 1 1 A 37 37 GLU C C 37 174.413 176.924 -2.511 1
1 421 . 7 1 1 A 37 37 GLU CA C 37 58.568 58.473 0.095 1
1 422 . 7 1 1 A 37 37 GLU CB C 37 29.809 29.103 0.706 1
1 424 . 7 1 1 A 37 37 GLU N N 37 124.260 120.772 3.488 1
1 425 . 7 1 1 A 38 38 ARG H H 38 8.483 7.775 0.708 1
1 426 . 7 1 1 A 38 38 ARG HA H 38 4.594 4.515 0.079 1
1 434 . 7 1 1 A 38 38 ARG C C 38 175.250 176.617 -1.367 1
1 435 . 7 1 1 A 38 38 ARG CA C 38 54.916 55.719 -0.803 1
1 436 . 7 1 1 A 38 38 ARG CB C 38 29.706 30.791 -1.085 1
1 439 . 7 1 1 A 38 38 ARG N N 38 117.248 119.811 -2.563 1
1 441 . 7 1 1 A 39 39 SER H H 39 7.630 7.764 -0.134 1
1 442 . 7 1 1 A 39 39 SER HA H 39 4.139 4.286 -0.147 1
1 445 . 7 1 1 A 39 39 SER C C 39 176.694 173.974 2.720 1
1 446 . 7 1 1 A 39 39 SER CA C 39 59.524 61.313 -1.789 1
1 447 . 7 1 1 A 39 39 SER CB C 39 64.248 63.237 1.011 1
1 448 . 7 1 1 A 39 39 SER N N 39 115.086 115.082 0.004 1
1 449 . 7 1 1 A 40 40 ALA H H 40 8.667 7.913 0.754 1
1 450 . 7 1 1 A 40 40 ALA HA H 40 4.267 3.980 0.287 1
1 454 . 7 1 1 A 40 40 ALA C C 40 174.406 176.446 -2.040 1
1 455 . 7 1 1 A 40 40 ALA CA C 40 52.641 53.739 -1.098 1
1 456 . 7 1 1 A 40 40 ALA CB C 40 17.976 17.890 0.086 1
1 457 . 7 1 1 A 40 40 ALA N N 40 126.133 122.258 3.875 1
1 458 . 7 1 1 A 41 41 MET H H 41 7.793 7.811 -0.018 1
1 459 . 7 1 1 A 41 41 MET HA H 41 4.389 4.515 -0.126 1
1 467 . 7 1 1 A 41 41 MET C C 41 176.689 175.471 1.218 1
1 468 . 7 1 1 A 41 41 MET CA C 41 55.965 55.218 0.747 1
1 469 . 7 1 1 A 41 41 MET CB C 41 34.761 33.579 1.182 1
1 472 . 7 1 1 A 41 41 MET N N 41 117.758 115.962 1.796 1
1 473 . 7 1 1 A 42 42 ASP H H 42 9.667 8.973 0.694 1
1 474 . 7 1 1 A 42 42 ASP HA H 42 4.706 4.691 0.015 1
1 477 . 7 1 1 A 42 42 ASP C C 42 174.559 177.069 -2.510 1
1 478 . 7 1 1 A 42 42 ASP CA C 42 53.363 53.547 -0.184 1
1 479 . 7 1 1 A 42 42 ASP CB C 42 41.740 38.944 2.796 1
1 480 . 7 1 1 A 42 42 ASP N N 42 125.565 121.982 3.583 1
1 481 . 7 1 1 A 43 43 LYS H H 43 8.928 8.163 0.765 1
1 482 . 7 1 1 A 43 43 LYS HA H 43 3.752 4.108 -0.356 1
1 491 . 7 1 1 A 43 43 LYS C C 43 173.737 178.655 -4.918 1
1 492 . 7 1 1 A 43 43 LYS CA C 43 60.966 59.048 1.918 1
1 493 . 7 1 1 A 43 43 LYS CB C 43 32.585 31.900 0.685 1
1 497 . 7 1 1 A 43 43 LYS N N 43 127.256 123.335 3.921 1
1 498 . 7 1 1 A 44 44 SER H H 44 8.327 7.921 0.406 1
1 499 . 7 1 1 A 44 44 SER HA H 44 4.009 4.222 -0.213 1
1 502 . 7 1 1 A 44 44 SER C C 44 174.032 177.481 -3.449 1
1 503 . 7 1 1 A 44 44 SER CA C 44 62.461 61.451 1.010 1
1 504 . 7 1 1 A 44 44 SER CB C 44 62.281 63.004 -0.723 1
1 505 . 7 1 1 A 44 44 SER N N 44 114.797 115.070 -0.273 1
1 506 . 7 1 1 A 45 45 LEU H H 45 7.878 8.166 -0.288 1
1 507 . 7 1 1 A 45 45 LEU HA H 45 4.254 4.146 0.108 1
1 517 . 7 1 1 A 45 45 LEU C C 45 172.915 179.246 -6.331 1
1 518 . 7 1 1 A 45 45 LEU CA C 45 57.128 57.660 -0.532 1
1 519 . 7 1 1 A 45 45 LEU CB C 45 41.738 41.991 -0.253 1
1 523 . 7 1 1 A 45 45 LEU N N 45 124.570 122.342 2.228 1
1 524 . 7 1 1 A 46 46 PHE H H 46 8.343 7.980 0.363 1
1 525 . 7 1 1 A 46 46 PHE HA H 46 3.882 4.214 -0.332 1
1 532 . 7 1 1 A 46 46 PHE C C 46 175.104 177.215 -2.111 1
1 533 . 7 1 1 A 46 46 PHE CA C 46 61.820 61.526 0.294 1
1 534 . 7 1 1 A 46 46 PHE CB C 46 40.047 39.252 0.795 1
1 537 . 7 1 1 A 46 46 PHE N N 46 121.059 119.389 1.670 1
1 538 . 7 1 1 A 47 47 VAL H H 47 8.370 7.955 0.415 1
1 539 . 7 1 1 A 47 47 VAL HA H 47 3.466 3.562 -0.096 1
1 547 . 7 1 1 A 47 47 VAL C C 47 173.353 177.644 -4.291 1
1 548 . 7 1 1 A 47 47 VAL CA C 47 67.220 64.545 2.675 1
1 549 . 7 1 1 A 47 47 VAL CB C 47 31.927 31.294 0.633 1
1 552 . 7 1 1 A 47 47 VAL N N 47 118.023 119.213 -1.190 1
1 553 . 7 1 1 A 48 48 SER H H 48 7.967 8.107 -0.140 1
1 554 . 7 1 1 A 48 48 SER HA H 48 4.268 4.248 0.020 1
1 557 . 7 1 1 A 48 48 SER C C 48 174.187 177.323 -3.136 1
1 558 . 7 1 1 A 48 48 SER CA C 48 61.789 61.307 0.482 1
1 559 . 7 1 1 A 48 48 SER CB C 48 62.761 62.471 0.290 1
1 560 . 7 1 1 A 48 48 SER N N 48 114.372 117.160 -2.788 1
1 561 . 7 1 1 A 49 49 ALA H H 49 8.489 7.951 0.538 1
1 562 . 7 1 1 A 49 49 ALA HA H 49 3.931 4.147 -0.216 1
1 566 . 7 1 1 A 49 49 ALA C C 49 172.626 179.439 -6.813 1
1 567 . 7 1 1 A 49 49 ALA CA C 49 55.067 54.942 0.125 1
1 568 . 7 1 1 A 49 49 ALA CB C 49 17.587 18.268 -0.681 1
1 569 . 7 1 1 A 49 49 ALA N N 49 124.199 124.164 0.035 1
1 570 . 7 1 1 A 50 50 PHE H H 50 8.510 8.433 0.077 1
1 571 . 7 1 1 A 50 50 PHE HA H 50 3.763 3.924 -0.161 1
1 578 . 7 1 1 A 50 50 PHE C C 50 174.923 177.114 -2.191 1
1 579 . 7 1 1 A 50 50 PHE CA C 50 63.098 61.592 1.506 1
1 580 . 7 1 1 A 50 50 PHE CB C 50 39.465 39.007 0.458 1
1 583 . 7 1 1 A 50 50 PHE N N 50 120.967 119.725 1.242 1
1 584 . 7 1 1 A 51 51 GLU H H 51 8.561 8.845 -0.284 1
1 585 . 7 1 1 A 51 51 GLU HA H 51 3.717 3.624 0.093 1
1 590 . 7 1 1 A 51 51 GLU C C 51 173.002 179.322 -6.320 1
1 591 . 7 1 1 A 51 51 GLU CA C 51 59.750 59.400 0.350 1
1 592 . 7 1 1 A 51 51 GLU CB C 51 29.330 29.221 0.109 1
1 594 . 7 1 1 A 51 51 GLU N N 51 116.915 117.137 -0.222 1
1 595 . 7 1 1 A 52 52 THR H H 52 7.759 8.117 -0.358 1
1 596 . 7 1 1 A 52 52 THR HA H 52 4.090 3.922 0.168 1
1 601 . 7 1 1 A 52 52 THR C C 52 174.897 176.052 -1.155 1
1 602 . 7 1 1 A 52 52 THR CA C 52 65.899 66.753 -0.854 1
1 603 . 7 1 1 A 52 52 THR CB C 52 69.172 68.672 0.500 1
1 605 . 7 1 1 A 52 52 THR N N 52 114.348 117.653 -3.305 1
1 606 . 7 1 1 A 53 53 PHE H H 53 8.725 7.977 0.748 1
1 607 . 7 1 1 A 53 53 PHE HA H 53 4.335 4.320 0.015 1
1 614 . 7 1 1 A 53 53 PHE C C 53 172.389 178.619 -6.230 1
1 615 . 7 1 1 A 53 53 PHE CA C 53 60.011 61.517 -1.506 1
1 616 . 7 1 1 A 53 53 PHE CB C 53 38.244 38.867 -0.623 1
1 619 . 7 1 1 A 53 53 PHE N N 53 120.493 118.270 2.223 1
1 620 . 7 1 1 A 54 54 ARG H H 54 8.579 8.260 0.319 1
1 621 . 7 1 1 A 54 54 ARG HA H 54 3.626 4.054 -0.428 1
1 625 . 7 1 1 A 54 54 ARG C C 54 175.195 177.161 -1.966 1
1 626 . 7 1 1 A 54 54 ARG CA C 54 59.252 57.727 1.525 1
1 627 . 7 1 1 A 54 54 ARG CB C 54 26.544 28.647 -2.103 1
1 629 . 7 1 1 A 54 54 ARG N N 54 119.132 118.290 0.842 1
1 631 . 7 1 1 A 55 55 GLU H H 55 6.758 8.170 -1.412 1
1 632 . 7 1 1 A 55 55 GLU HA H 55 3.983 4.213 -0.230 1
1 637 . 7 1 1 A 55 55 GLU C C 55 174.356 179.133 -4.777 1
1 638 . 7 1 1 A 55 55 GLU CA C 55 58.002 58.557 -0.555 1
1 639 . 7 1 1 A 55 55 GLU CB C 55 29.865 29.266 0.599 1
1 641 . 7 1 1 A 55 55 GLU N N 55 115.466 118.536 -3.070 1
1 642 . 7 1 1 A 56 56 GLU H H 56 7.245 7.613 -0.368 1
1 643 . 7 1 1 A 56 56 GLU HA H 56 4.294 4.043 0.251 1
1 648 . 7 1 1 A 56 56 GLU C C 56 175.946 175.834 0.112 1
1 649 . 7 1 1 A 56 56 GLU CA C 56 55.827 58.598 -2.771 1
1 650 . 7 1 1 A 56 56 GLU CB C 56 30.030 29.863 0.167 1
1 652 . 7 1 1 A 56 56 GLU N N 56 114.653 120.137 -5.484 1
1 653 . 7 1 1 A 57 57 SER H H 57 7.405 7.288 0.117 1
1 654 . 7 1 1 A 57 57 SER HA H 57 4.707 4.807 -0.100 1
1 657 . 7 1 1 A 57 57 SER C C 57 176.895 173.295 3.600 1
1 658 . 7 1 1 A 57 57 SER CA C 57 55.456 56.253 -0.797 1
1 659 . 7 1 1 A 57 57 SER CB C 57 64.059 65.540 -1.481 1
1 660 . 7 1 1 A 57 57 SER N N 57 114.312 113.136 1.176 1
1 661 . 7 1 1 A 58 58 LEU H H 58 8.819 8.831 -0.012 1
1 662 . 7 1 1 A 58 58 LEU HA H 58 4.120 4.083 0.037 1
1 672 . 7 1 1 A 58 58 LEU C C 58 172.006 179.047 -7.041 1
1 673 . 7 1 1 A 58 58 LEU CA C 58 58.438 57.014 1.424 1
1 674 . 7 1 1 A 58 58 LEU CB C 58 41.839 41.940 -0.101 1
1 678 . 7 1 1 A 58 58 LEU N N 58 129.477 125.217 4.260 1
1 679 . 7 1 1 A 59 59 VAL H H 59 7.929 8.083 -0.154 1
1 680 . 7 1 1 A 59 59 VAL HA H 59 4.305 3.953 0.352 1
1 688 . 7 1 1 A 59 59 VAL C C 59 173.624 177.988 -4.364 1
1 689 . 7 1 1 A 59 59 VAL CA C 59 64.028 64.779 -0.751 1
1 690 . 7 1 1 A 59 59 VAL CB C 59 33.135 31.385 1.750 1
1 693 . 7 1 1 A 59 59 VAL N N 59 112.367 113.835 -1.468 1
1 694 . 7 1 1 A 60 60 CYS H H 60 7.786 8.088 -0.302 1
1 695 . 7 1 1 A 60 60 CYS HA H 60 4.589 4.403 0.186 1
1 698 . 7 1 1 A 60 60 CYS C C 60 176.508 176.601 -0.093 1
1 699 . 7 1 1 A 60 60 CYS CA C 60 59.907 61.861 -1.954 1
1 700 . 7 1 1 A 60 60 CYS CB C 60 28.211 26.383 1.828 1
1 701 . 7 1 1 A 60 60 CYS N N 60 115.412 119.906 -4.494 1
1 702 . 7 1 1 A 61 61 LYS H H 61 7.415 7.640 -0.225 1
1 703 . 7 1 1 A 61 61 LYS HA H 61 3.820 4.150 -0.330 1
1 712 . 7 1 1 A 61 61 LYS C C 61 175.812 177.337 -1.525 1
1 713 . 7 1 1 A 61 61 LYS CA C 61 60.389 58.489 1.900 1
1 714 . 7 1 1 A 61 61 LYS CB C 61 32.606 32.849 -0.243 1
1 718 . 7 1 1 A 61 61 LYS N N 61 120.942 118.683 2.259 1
1 719 . 7 1 1 A 62 62 ASP C C 62 175.254 174.417 0.837 1
1 720 . 7 1 1 A 62 62 ASP CA C 62 55.159 53.634 1.525 1
1 721 . 7 1 1 A 62 62 ASP CB C 62 42.358 39.020 3.338 1
1 722 . 7 1 1 A 64 64 ILE H H 64 7.784 8.677 -0.893 1
1 723 . 7 1 1 A 64 64 ILE HA H 64 4.126 4.924 -0.798 1
1 733 . 7 1 1 A 64 64 ILE C C 64 177.456 174.460 2.996 1
1 734 . 7 1 1 A 64 64 ILE CA C 64 60.516 59.627 0.889 1
1 735 . 7 1 1 A 64 64 ILE CB C 64 39.990 42.182 -2.192 1
1 739 . 7 1 1 A 64 64 ILE N N 64 122.653 120.058 2.595 1
1 740 . 7 1 1 A 65 65 LEU H H 65 8.357 9.005 -0.648 1
1 741 . 7 1 1 A 65 65 LEU HA H 65 4.858 4.981 -0.123 1
1 751 . 7 1 1 A 65 65 LEU C C 65 176.625 174.600 2.025 1
1 752 . 7 1 1 A 65 65 LEU CA C 65 53.315 53.419 -0.104 1
1 753 . 7 1 1 A 65 65 LEU CB C 65 43.307 44.411 -1.104 1
1 757 . 7 1 1 A 65 65 LEU N N 65 128.311 128.095 0.216 1
1 758 . 7 1 1 A 66 66 ASP H H 66 9.088 8.895 0.193 1
1 759 . 7 1 1 A 66 66 ASP HA H 66 5.009 4.971 0.038 1
1 762 . 7 1 1 A 66 66 ASP C C 66 177.504 175.239 2.265 1
1 763 . 7 1 1 A 66 66 ASP CA C 66 53.137 54.007 -0.870 1
1 764 . 7 1 1 A 66 66 ASP CB C 66 44.234 41.144 3.090 1
1 765 . 7 1 1 A 66 66 ASP N N 66 129.457 127.133 2.324 1
1 766 . 7 1 1 A 67 67 ILE H H 67 8.240 8.719 -0.479 1
1 767 . 7 1 1 A 67 67 ILE HA H 67 4.759 4.500 0.259 1
1 777 . 7 1 1 A 67 67 ILE C C 67 175.569 175.635 -0.066 1
1 778 . 7 1 1 A 67 67 ILE CA C 67 59.640 60.890 -1.250 1
1 779 . 7 1 1 A 67 67 ILE CB C 67 39.948 37.433 2.515 1
1 783 . 7 1 1 A 67 67 ILE N N 67 120.821 125.986 -5.165 1
1 784 . 7 1 1 A 68 68 VAL H H 68 9.310 8.942 0.368 1
1 785 . 7 1 1 A 68 68 VAL HA H 68 4.149 4.223 -0.074 1
1 793 . 7 1 1 A 68 68 VAL C C 68 176.697 174.839 1.858 1
1 794 . 7 1 1 A 68 68 VAL CA C 68 60.707 62.337 -1.630 1
1 795 . 7 1 1 A 68 68 VAL CB C 68 34.121 32.917 1.204 1
1 798 . 7 1 1 A 68 68 VAL N N 68 130.182 128.756 1.426 1
1 799 . 7 1 1 A 69 69 ASP H H 69 8.577 8.698 -0.121 1
1 800 . 7 1 1 A 69 69 ASP HA H 69 4.847 4.657 0.190 1
1 803 . 7 1 1 A 69 69 ASP C C 69 175.713 174.528 1.185 1
1 804 . 7 1 1 A 69 69 ASP CA C 69 54.357 53.521 0.836 1
1 805 . 7 1 1 A 69 69 ASP CB C 69 41.353 40.422 0.931 1
1 806 . 7 1 1 A 69 69 ASP N N 69 127.151 128.180 -1.029 1
1 807 . 7 1 1 A 70 70 GLU H H 70 7.857 8.627 -0.770 1
1 808 . 7 1 1 A 70 70 GLU HA H 70 4.563 4.545 0.018 1
1 813 . 7 1 1 A 70 70 GLU C C 70 176.179 176.715 -0.536 1
1 814 . 7 1 1 A 70 70 GLU CA C 70 56.333 56.179 0.154 1
1 815 . 7 1 1 A 70 70 GLU CB C 70 31.503 30.389 1.114 1
1 817 . 7 1 1 A 70 70 GLU N N 70 123.503 126.145 -2.642 1
1 818 . 7 1 1 A 71 71 LYS H H 71 8.517 8.400 0.117 1
1 819 . 7 1 1 A 71 71 LYS HA H 71 4.261 4.099 0.162 1
1 828 . 7 1 1 A 71 71 LYS C C 71 175.084 176.518 -1.434 1
1 829 . 7 1 1 A 71 71 LYS CA C 71 55.210 56.425 -1.215 1
1 830 . 7 1 1 A 71 71 LYS CB C 71 33.019 32.688 0.331 1
1 834 . 7 1 1 A 71 71 LYS N N 71 124.197 124.660 -0.463 1
1 835 . 7 1 1 A 72 72 VAL H H 72 8.612 8.751 -0.139 1
1 836 . 7 1 1 A 72 72 VAL HA H 72 4.277 5.233 -0.956 1
1 844 . 7 1 1 A 72 72 VAL C C 72 176.529 174.033 2.496 1
1 845 . 7 1 1 A 72 72 VAL CA C 72 63.133 59.275 3.858 1
1 846 . 7 1 1 A 72 72 VAL CB C 72 32.188 34.953 -2.765 1
1 849 . 7 1 1 A 72 72 VAL N N 72 119.616 114.507 5.109 1
1 850 . 7 1 1 A 73 73 GLU H H 73 7.750 8.330 -0.580 1
1 851 . 7 1 1 A 73 73 GLU HA H 73 4.469 4.648 -0.179 1
1 856 . 7 1 1 A 73 73 GLU C C 73 178.456 174.158 4.298 1
1 857 . 7 1 1 A 73 73 GLU CA C 73 55.241 55.128 0.113 1
1 858 . 7 1 1 A 73 73 GLU CB C 73 34.536 33.957 0.579 1
1 860 . 7 1 1 A 73 73 GLU N N 73 126.126 120.675 5.451 1
1 861 . 7 1 1 A 74 74 LEU H H 74 8.495 9.212 -0.717 1
1 862 . 7 1 1 A 74 74 LEU HA H 74 5.207 4.827 0.380 1
1 869 . 7 1 1 A 74 74 LEU C C 74 176.827 174.903 1.924 1
1 870 . 7 1 1 A 74 74 LEU CA C 74 52.600 53.472 -0.872 1
1 871 . 7 1 1 A 74 74 LEU CB C 74 45.404 41.694 3.710 1
1 874 . 7 1 1 A 74 74 LEU N N 74 123.821 127.220 -3.399 1
1 875 . 7 1 1 A 75 75 GLU H H 75 8.770 8.610 0.160 1
1 876 . 7 1 1 A 75 75 GLU HA H 75 5.127 4.391 0.736 1
1 881 . 7 1 1 A 75 75 GLU C C 75 176.617 176.115 0.502 1
1 882 . 7 1 1 A 75 75 GLU CA C 75 53.748 56.404 -2.656 1
1 883 . 7 1 1 A 75 75 GLU CB C 75 33.910 30.464 3.446 1
1 885 . 7 1 1 A 75 75 GLU N N 75 118.723 125.414 -6.691 1
1 886 . 7 1 1 A 76 76 CYS H H 76 9.354 8.253 1.101 1
1 887 . 7 1 1 A 76 76 CYS HA H 76 4.665 4.669 -0.004 1
1 890 . 7 1 1 A 76 76 CYS C C 76 173.085 175.586 -2.501 1
1 891 . 7 1 1 A 76 76 CYS CA C 76 59.386 58.062 1.324 1
1 892 . 7 1 1 A 76 76 CYS CB C 76 32.476 29.353 3.123 1
1 893 . 7 1 1 A 76 76 CYS N N 76 128.378 124.431 3.947 1
1 894 . 7 1 1 A 77 77 LYS H H 77 9.328 8.627 0.701 1
1 895 . 7 1 1 A 77 77 LYS HA H 77 4.279 4.034 0.245 1
1 904 . 7 1 1 A 77 77 LYS C C 77 174.709 177.036 -2.327 1
1 905 . 7 1 1 A 77 77 LYS CA C 77 56.997 59.290 -2.293 1
1 906 . 7 1 1 A 77 77 LYS CB C 77 31.240 32.700 -1.460 1
1 910 . 7 1 1 A 77 77 LYS N N 77 129.264 125.734 3.530 1
1 911 . 7 1 1 A 78 78 ASP H H 78 9.182 8.142 1.040 1
1 912 . 7 1 1 A 78 78 ASP HA H 78 4.945 4.867 0.078 1
1 915 . 7 1 1 A 78 78 ASP C C 78 173.961 174.549 -0.588 1
1 916 . 7 1 1 A 78 78 ASP CA C 78 56.797 52.730 4.067 1
1 917 . 7 1 1 A 78 78 ASP CB C 78 42.214 41.248 0.966 1
1 918 . 7 1 1 A 78 78 ASP N N 78 122.206 117.057 5.149 1
1 919 . 7 1 1 A 79 79 CYS H H 79 9.871 8.090 1.781 1
1 920 . 7 1 1 A 79 79 CYS HA H 79 5.165 4.829 0.336 1
1 923 . 7 1 1 A 79 79 CYS C C 79 174.253 173.105 1.148 1
1 924 . 7 1 1 A 79 79 CYS CA C 79 59.123 57.822 1.301 1
1 925 . 7 1 1 A 79 79 CYS CB C 79 32.286 30.543 1.743 1
1 926 . 7 1 1 A 79 79 CYS N N 79 124.020 122.892 1.128 1
1 927 . 7 1 1 A 80 80 SER H H 80 7.667 8.599 -0.932 1
1 928 . 7 1 1 A 80 80 SER HA H 80 4.564 4.804 -0.240 1
1 931 . 7 1 1 A 80 80 SER C C 80 178.621 173.190 5.431 1
1 932 . 7 1 1 A 80 80 SER CA C 80 62.038 57.297 4.741 1
1 933 . 7 1 1 A 80 80 SER CB C 80 62.215 64.189 -1.974 1
1 934 . 7 1 1 A 80 80 SER N N 80 115.904 117.131 -1.227 1
1 935 . 7 1 1 A 81 81 HIS H H 81 8.916 7.586 1.330 1
1 936 . 7 1 1 A 81 81 HIS HA H 81 4.649 4.912 -0.263 1
1 941 . 7 1 1 A 81 81 HIS C C 81 178.299 173.149 5.150 1
1 942 . 7 1 1 A 81 81 HIS CA C 81 58.348 55.920 2.428 1
1 943 . 7 1 1 A 81 81 HIS CB C 81 33.016 33.347 -0.331 1
1 946 . 7 1 1 A 81 81 HIS N N 81 125.397 121.060 4.337 1
1 949 . 7 1 1 A 82 82 VAL H H 82 7.058 8.078 -1.020 1
1 950 . 7 1 1 A 82 82 VAL HA H 82 5.212 4.922 0.290 1
1 958 . 7 1 1 A 82 82 VAL C C 82 176.161 173.737 2.424 1
1 959 . 7 1 1 A 82 82 VAL CA C 82 60.567 59.369 1.198 1
1 960 . 7 1 1 A 82 82 VAL CB C 82 34.355 35.850 -1.495 1
1 963 . 7 1 1 A 82 82 VAL N N 82 125.314 119.942 5.372 1
1 964 . 7 1 1 A 83 83 PHE H H 83 8.883 8.682 0.201 1
1 965 . 7 1 1 A 83 83 PHE HA H 83 4.842 5.327 -0.485 1
1 972 . 7 1 1 A 83 83 PHE C C 83 179.687 172.266 7.421 1
1 973 . 7 1 1 A 83 83 PHE CA C 83 55.495 55.459 0.036 1
1 974 . 7 1 1 A 83 83 PHE CB C 83 40.651 41.746 -1.095 1
1 978 . 7 1 1 A 83 83 PHE N N 83 122.377 118.861 3.516 1
1 979 . 7 1 1 A 84 84 LYS H H 84 8.658 8.887 -0.229 1
1 980 . 7 1 1 A 84 84 LYS HA H 84 5.001 4.764 0.237 1
1 989 . 7 1 1 A 84 84 LYS C C 84 176.705 174.334 2.371 1
1 990 . 7 1 1 A 84 84 LYS CA C 84 52.738 52.886 -0.148 1
1 991 . 7 1 1 A 84 84 LYS CB C 84 32.660 34.231 -1.571 1
1 995 . 7 1 1 A 84 84 LYS N N 84 121.116 119.387 1.729 1
1 996 . 7 1 1 A 85 85 PRO HA H 85 4.663 4.741 -0.078 1
1 1003 . 7 1 1 A 85 85 PRO C C 85 174.722 176.235 -1.513 1
1 1004 . 7 1 1 A 85 85 PRO CA C 85 62.633 62.953 -0.320 1
1 1005 . 7 1 1 A 85 85 PRO CB C 85 32.712 31.795 0.917 1
1 1008 . 7 1 1 A 86 86 ASN H H 86 8.983 8.990 -0.007 1
1 1009 . 7 1 1 A 86 86 ASN HA H 86 4.704 4.908 -0.204 1
1 1014 . 7 1 1 A 86 86 ASN C C 86 176.576 175.025 1.551 1
1 1015 . 7 1 1 A 86 86 ASN CA C 86 53.552 54.745 -1.193 1
1 1016 . 7 1 1 A 86 86 ASN CB C 86 39.208 40.924 -1.716 1
1 1017 . 7 1 1 A 86 86 ASN N N 86 119.549 121.199 -1.650 1
1 1019 . 7 1 1 A 87 87 ALA H H 87 8.122 7.608 0.514 1
1 1020 . 7 1 1 A 87 87 ALA HA H 87 4.369 3.992 0.377 1
1 1024 . 7 1 1 A 87 87 ALA C C 87 174.154 176.973 -2.819 1
1 1025 . 7 1 1 A 87 87 ALA CA C 87 52.560 52.301 0.259 1
1 1026 . 7 1 1 A 87 87 ALA CB C 87 19.660 19.402 0.258 1
1 1027 . 7 1 1 A 87 87 ALA N N 87 122.483 120.937 1.546 1
1 1028 . 7 1 1 A 88 88 LEU H H 88 8.195 8.125 0.070 1
1 1029 . 7 1 1 A 88 88 LEU HA H 88 4.192 4.371 -0.179 1
1 1039 . 7 1 1 A 88 88 LEU C C 88 174.871 177.588 -2.717 1
1 1040 . 7 1 1 A 88 88 LEU CA C 88 55.691 55.437 0.254 1
1 1041 . 7 1 1 A 88 88 LEU CB C 88 41.708 42.905 -1.197 1
1 1045 . 7 1 1 A 88 88 LEU N N 88 118.730 116.949 1.781 1
1 1046 . 7 1 1 A 89 89 ASP H H 89 7.902 8.207 -0.305 1
1 1047 . 7 1 1 A 89 89 ASP HA H 89 4.601 4.392 0.209 1
1 1050 . 7 1 1 A 89 89 ASP C C 89 175.940 176.748 -0.808 1
1 1051 . 7 1 1 A 89 89 ASP CA C 89 53.641 56.787 -3.146 1
1 1052 . 7 1 1 A 89 89 ASP CB C 89 40.953 40.940 0.013 1
1 1053 . 7 1 1 A 89 89 ASP N N 89 118.577 120.483 -1.906 1
1 1054 . 7 1 1 A 90 90 TYR H H 90 7.922 7.363 0.559 1
1 1055 . 7 1 1 A 90 90 TYR HA H 90 4.551 4.668 -0.117 1
1 1062 . 7 1 1 A 90 90 TYR C C 90 175.338 176.557 -1.219 1
1 1063 . 7 1 1 A 90 90 TYR CA C 90 57.505 57.479 0.026 1
1 1064 . 7 1 1 A 90 90 TYR CB C 90 38.147 39.148 -1.001 1
1 1067 . 7 1 1 A 90 90 TYR N N 90 121.632 113.742 7.890 1
1 1068 . 7 1 1 A 91 91 GLY H H 91 8.313 7.980 0.333 1
1 1069 . 7 1 1 A 91 91 GLY HA2 H 91 3.966 3.819 0.147 1
1 1070 . 7 1 1 A 91 91 GLY HA3 H 91 3.784 3.891 -0.107 1
1 1071 . 7 1 1 A 91 91 GLY C C 91 178.622 174.232 4.390 1
1 1072 . 7 1 1 A 91 91 GLY CA C 91 45.916 45.270 0.646 1
1 1073 . 7 1 1 A 91 91 GLY N N 91 108.097 109.343 -1.246 1
1 1074 . 7 1 1 A 92 92 VAL H H 92 7.078 7.542 -0.464 1
1 1075 . 7 1 1 A 92 92 VAL HA H 92 4.810 4.180 0.630 1
1 1083 . 7 1 1 A 92 92 VAL C C 92 176.954 175.682 1.272 1
1 1084 . 7 1 1 A 92 92 VAL CA C 92 59.083 61.718 -2.635 1
1 1085 . 7 1 1 A 92 92 VAL CB C 92 35.602 33.050 2.552 1
1 1088 . 7 1 1 A 92 92 VAL N N 92 113.901 117.394 -3.493 1
1 1089 . 7 1 1 A 93 93 CYS H H 93 9.086 8.677 0.409 1
1 1090 . 7 1 1 A 93 93 CYS HA H 93 4.118 4.624 -0.506 1
1 1093 . 7 1 1 A 93 93 CYS C C 93 173.477 175.839 -2.362 1
1 1094 . 7 1 1 A 93 93 CYS CA C 93 60.511 59.743 0.768 1
1 1095 . 7 1 1 A 93 93 CYS CB C 93 31.124 28.631 2.493 1
1 1096 . 7 1 1 A 93 93 CYS N N 93 126.248 122.539 3.709 1
1 1097 . 7 1 1 A 94 94 GLU H H 94 5.667 8.972 -3.305 1
1 1098 . 7 1 1 A 94 94 GLU HA H 94 4.073 3.871 0.202 1
1 1103 . 7 1 1 A 94 94 GLU C C 94 176.973 178.297 -1.324 1
1 1104 . 7 1 1 A 94 94 GLU CA C 94 57.434 59.609 -2.175 1
1 1105 . 7 1 1 A 94 94 GLU CB C 94 28.813 29.421 -0.608 1
1 1107 . 7 1 1 A 94 94 GLU N N 94 126.541 126.798 -0.257 1
1 1108 . 7 1 1 A 95 95 LYS H H 95 9.002 7.653 1.349 1
1 1109 . 7 1 1 A 95 95 LYS HA H 95 4.076 4.096 -0.020 1
1 1118 . 7 1 1 A 95 95 LYS C C 95 174.890 176.763 -1.873 1
1 1119 . 7 1 1 A 95 95 LYS CA C 95 57.782 58.752 -0.970 1
1 1120 . 7 1 1 A 95 95 LYS CB C 95 34.056 32.745 1.311 1
1 1124 . 7 1 1 A 95 95 LYS N N 95 123.753 118.627 5.126 1
1 1125 . 7 1 1 A 96 96 CYS H H 96 9.063 7.517 1.546 1
1 1126 . 7 1 1 A 96 96 CYS HA H 96 4.755 4.556 0.199 1
1 1129 . 7 1 1 A 96 96 CYS C C 96 174.775 174.013 0.762 1
1 1130 . 7 1 1 A 96 96 CYS CA C 96 58.756 57.139 1.617 1
1 1131 . 7 1 1 A 96 96 CYS CB C 96 32.066 29.307 2.759 1
1 1132 . 7 1 1 A 96 96 CYS N N 96 120.699 115.303 5.396 1
1 1133 . 7 1 1 A 97 97 HIS H H 97 7.541 8.742 -1.201 1
1 1134 . 7 1 1 A 97 97 HIS HA H 97 4.474 4.735 -0.261 1
1 1139 . 7 1 1 A 97 97 HIS C C 97 178.193 174.230 3.963 1
1 1140 . 7 1 1 A 97 97 HIS CA C 97 57.481 54.534 2.947 1
1 1141 . 7 1 1 A 97 97 HIS CB C 97 27.126 27.332 -0.206 1
1 1144 . 7 1 1 A 97 97 HIS N N 97 116.676 124.248 -7.572 1
1 1147 . 7 1 1 A 98 98 SER H H 98 8.775 7.846 0.929 1
1 1148 . 7 1 1 A 98 98 SER HA H 98 4.322 5.092 -0.770 1
1 1151 . 7 1 1 A 98 98 SER C C 98 176.432 173.623 2.809 1
1 1152 . 7 1 1 A 98 98 SER CA C 98 58.923 57.310 1.613 1
1 1153 . 7 1 1 A 98 98 SER CB C 98 64.790 66.769 -1.979 1
1 1154 . 7 1 1 A 98 98 SER N N 98 116.989 116.340 0.649 1
1 1155 . 7 1 1 A 99 99 LYS H H 99 8.567 8.850 -0.283 1
1 1156 . 7 1 1 A 99 99 LYS HA H 99 4.935 4.611 0.324 1
1 1165 . 7 1 1 A 99 99 LYS C C 99 173.648 177.202 -3.554 1
1 1166 . 7 1 1 A 99 99 LYS CA C 99 56.417 56.360 0.057 1
1 1167 . 7 1 1 A 99 99 LYS CB C 99 32.366 32.145 0.221 1
1 1171 . 7 1 1 A 99 99 LYS N N 99 122.510 123.597 -1.087 1
1 1172 . 7 1 1 A 100 100 ASN H H 100 9.426 8.388 1.038 1
1 1173 . 7 1 1 A 100 100 ASN HA H 100 4.916 4.591 0.325 1
1 1178 . 7 1 1 A 100 100 ASN C C 100 178.498 175.509 2.989 1
1 1179 . 7 1 1 A 100 100 ASN CA C 100 51.999 53.874 -1.875 1
1 1180 . 7 1 1 A 100 100 ASN CB C 100 36.539 37.568 -1.029 1
1 1181 . 7 1 1 A 100 100 ASN N N 100 124.489 117.546 6.943 1
1 1183 . 7 1 1 A 101 101 VAL H H 101 7.627 7.469 0.158 1
1 1184 . 7 1 1 A 101 101 VAL HA H 101 5.329 4.076 1.253 1
1 1192 . 7 1 1 A 101 101 VAL C C 101 175.484 175.907 -0.423 1
1 1193 . 7 1 1 A 101 101 VAL CA C 101 58.253 62.073 -3.820 1
1 1194 . 7 1 1 A 101 101 VAL CB C 101 34.692 32.493 2.199 1
1 1197 . 7 1 1 A 101 101 VAL N N 101 112.585 119.256 -6.671 1
1 1198 . 7 1 1 A 102 102 ILE H H 102 9.032 8.887 0.145 1
1 1199 . 7 1 1 A 102 102 ILE HA H 102 4.671 4.813 -0.142 1
1 1209 . 7 1 1 A 102 102 ILE C C 102 177.283 174.661 2.622 1
1 1210 . 7 1 1 A 102 102 ILE CA C 102 58.979 58.465 0.514 1
1 1211 . 7 1 1 A 102 102 ILE CB C 102 41.970 41.815 0.155 1
1 1215 . 7 1 1 A 102 102 ILE N N 102 119.819 118.963 0.856 1
1 1216 . 7 1 1 A 103 103 ILE H H 103 8.364 8.903 -0.539 1
1 1217 . 7 1 1 A 103 103 ILE HA H 103 4.527 4.178 0.349 1
1 1227 . 7 1 1 A 103 103 ILE C C 103 174.186 176.441 -2.255 1
1 1228 . 7 1 1 A 103 103 ILE CA C 103 61.366 61.315 0.051 1
1 1229 . 7 1 1 A 103 103 ILE CB C 103 38.577 36.825 1.752 1
1 1233 . 7 1 1 A 103 103 ILE N N 103 123.325 124.902 -1.577 1
1 1234 . 7 1 1 A 104 104 THR H H 104 8.796 8.787 0.009 1
1 1235 . 7 1 1 A 104 104 THR HA H 104 4.260 4.342 -0.082 1
1 1240 . 7 1 1 A 104 104 THR C C 104 176.317 173.862 2.455 1
1 1241 . 7 1 1 A 104 104 THR CA C 104 62.708 63.465 -0.757 1
1 1242 . 7 1 1 A 104 104 THR CB C 104 68.431 69.705 -1.274 1
1 1244 . 7 1 1 A 104 104 THR N N 104 120.825 123.561 -2.736 1
1 1245 . 7 1 1 A 105 105 GLN H H 105 7.705 7.716 -0.011 1
1 1246 . 7 1 1 A 105 105 GLN HA H 105 4.482 4.512 -0.030 1
1 1253 . 7 1 1 A 105 105 GLN C C 105 177.316 175.228 2.088 1
1 1254 . 7 1 1 A 105 105 GLN CA C 105 55.621 55.511 0.110 1
1 1255 . 7 1 1 A 105 105 GLN CB C 105 31.897 31.487 0.410 1
1 1257 . 7 1 1 A 105 105 GLN N N 105 118.599 120.091 -1.492 1
1 1259 . 7 1 1 A 106 106 GLY H H 106 9.091 8.855 0.236 1
1 1260 . 7 1 1 A 106 106 GLY HA2 H 106 3.472 4.007 -0.535 1
1 1261 . 7 1 1 A 106 106 GLY HA3 H 106 4.255 4.008 0.247 1
1 1262 . 7 1 1 A 106 106 GLY C C 106 178.226 175.236 2.990 1
1 1263 . 7 1 1 A 106 106 GLY CA C 106 45.497 46.036 -0.539 1
1 1264 . 7 1 1 A 106 106 GLY N N 106 106.938 114.947 -8.009 1
1 1265 . 7 1 1 A 107 107 ASN H H 107 8.542 7.946 0.596 1
1 1266 . 7 1 1 A 107 107 ASN HA H 107 4.670 4.359 0.311 1
1 1271 . 7 1 1 A 107 107 ASN C C 107 176.917 175.033 1.884 1
1 1272 . 7 1 1 A 107 107 ASN CA C 107 52.697 55.798 -3.101 1
1 1273 . 7 1 1 A 107 107 ASN CB C 107 39.745 39.179 0.566 1
1 1274 . 7 1 1 A 107 107 ASN N N 107 117.838 119.982 -2.144 1
1 1276 . 7 1 1 A 108 108 GLU H H 108 8.050 7.623 0.427 1
1 1277 . 7 1 1 A 108 108 GLU HA H 108 4.638 4.600 0.038 1
1 1282 . 7 1 1 A 108 108 GLU C C 108 176.463 175.190 1.273 1
1 1283 . 7 1 1 A 108 108 GLU CA C 108 55.693 54.978 0.715 1
1 1284 . 7 1 1 A 108 108 GLU CB C 108 32.643 32.362 0.281 1
1 1286 . 7 1 1 A 108 108 GLU N N 108 118.542 114.695 3.847 1
1 1287 . 7 1 1 A 109 109 MET H H 109 8.431 8.502 -0.071 1
1 1288 . 7 1 1 A 109 109 MET HA H 109 5.236 4.656 0.580 1
1 1296 . 7 1 1 A 109 109 MET C C 109 176.443 176.023 0.420 1
1 1297 . 7 1 1 A 109 109 MET CA C 109 54.801 55.318 -0.517 1
1 1298 . 7 1 1 A 109 109 MET CB C 109 33.115 33.048 0.067 1
1 1301 . 7 1 1 A 109 109 MET N N 109 121.401 119.329 2.072 1
1 1302 . 7 1 1 A 110 110 ARG H H 110 9.166 8.920 0.246 1
1 1303 . 7 1 1 A 110 110 ARG HA H 110 4.771 4.843 -0.072 1
1 1311 . 7 1 1 A 110 110 ARG C C 110 177.215 176.081 1.134 1
1 1312 . 7 1 1 A 110 110 ARG CA C 110 54.826 54.194 0.632 1
1 1313 . 7 1 1 A 110 110 ARG CB C 110 33.474 34.038 -0.564 1
1 1316 . 7 1 1 A 110 110 ARG N N 110 123.271 120.754 2.517 1
1 1318 . 7 1 1 A 111 111 LEU H H 111 8.874 8.582 0.292 1
1 1319 . 7 1 1 A 111 111 LEU HA H 111 4.335 4.386 -0.051 1
1 1329 . 7 1 1 A 111 111 LEU C C 111 175.976 176.970 -0.994 1
1 1330 . 7 1 1 A 111 111 LEU CA C 111 55.633 55.123 0.510 1
1 1331 . 7 1 1 A 111 111 LEU CB C 111 42.413 43.005 -0.592 1
1 1335 . 7 1 1 A 111 111 LEU N N 111 125.212 121.445 3.767 1
1 1336 . 7 1 1 A 112 112 LEU HA H 112 4.432 4.352 0.080 1
1 1346 . 7 1 1 A 112 112 LEU C C 112 173.898 176.892 -2.994 1
1 1347 . 7 1 1 A 112 112 LEU CA C 112 56.230 55.998 0.232 1
1 1348 . 7 1 1 A 112 112 LEU CB C 112 42.688 42.625 0.063 1
1 1352 . 7 1 1 A 113 113 SER H H 113 7.895 7.468 0.427 1
1 1353 . 7 1 1 A 113 113 SER HA H 113 4.509 4.832 -0.323 1
1 1356 . 7 1 1 A 113 113 SER C C 113 180.240 172.269 7.971 1
1 1357 . 7 1 1 A 113 113 SER CA C 113 58.129 57.445 0.684 1
1 1358 . 7 1 1 A 113 113 SER CB C 113 64.473 65.970 -1.497 1
1 1359 . 7 1 1 A 113 113 SER N N 113 110.894 109.932 0.962 1
1 1360 . 7 1 1 A 114 114 LEU H H 114 8.151 8.593 -0.442 1
1 1361 . 7 1 1 A 114 114 LEU HA H 114 5.086 4.873 0.213 1
1 1371 . 7 1 1 A 114 114 LEU C C 114 175.777 175.932 -0.155 1
1 1372 . 7 1 1 A 114 114 LEU CA C 114 53.830 54.350 -0.520 1
1 1373 . 7 1 1 A 114 114 LEU CB C 114 46.471 44.245 2.226 1
1 1377 . 7 1 1 A 114 114 LEU N N 114 120.671 120.668 0.003 1
1 1378 . 7 1 1 A 115 115 GLU H H 115 8.666 9.035 -0.369 1
1 1379 . 7 1 1 A 115 115 GLU HA H 115 4.823 4.557 0.266 1
1 1384 . 7 1 1 A 115 115 GLU C C 115 175.727 176.614 -0.887 1
1 1385 . 7 1 1 A 115 115 GLU CA C 115 55.127 56.810 -1.683 1
1 1386 . 7 1 1 A 115 115 GLU CB C 115 31.063 30.296 0.767 1
1 1388 . 7 1 1 A 115 115 GLU N N 115 122.105 124.670 -2.565 1
1 1389 . 7 1 1 A 116 116 MET H H 116 9.159 8.833 0.326 1
1 1390 . 7 1 1 A 116 116 MET HA H 116 4.989 5.054 -0.065 1
1 1398 . 7 1 1 A 116 116 MET C C 116 177.447 175.135 2.312 1
1 1399 . 7 1 1 A 116 116 MET CA C 116 54.669 54.466 0.203 1
1 1400 . 7 1 1 A 116 116 MET CB C 116 36.107 36.832 -0.725 1
1 1403 . 7 1 1 A 116 116 MET N N 116 123.947 121.870 2.077 1
1 1404 . 7 1 1 A 117 117 LEU H H 117 8.573 8.994 -0.421 1
1 1405 . 7 1 1 A 117 117 LEU HA H 117 4.670 4.331 0.339 1
1 1412 . 7 1 1 A 117 117 LEU C C 117 175.990 176.831 -0.841 1
1 1413 . 7 1 1 A 117 117 LEU CA C 117 54.549 55.741 -1.192 1
1 1414 . 7 1 1 A 117 117 LEU CB C 117 44.045 41.153 2.892 1
1 1417 . 7 1 1 A 117 117 LEU N N 117 122.478 123.881 -1.403 1
1 1418 . 7 1 1 A 118 118 ALA H H 118 8.714 8.530 0.184 1
1 1419 . 7 1 1 A 118 118 ALA HA H 118 4.604 4.488 0.116 1
1 1423 . 7 1 1 A 118 118 ALA C C 118 175.279 177.291 -2.012 1
1 1424 . 7 1 1 A 118 118 ALA CA C 118 52.155 53.222 -1.067 1
1 1425 . 7 1 1 A 118 118 ALA CB C 118 20.444 20.550 -0.106 1
1 1426 . 7 1 1 A 118 118 ALA N N 118 127.701 126.951 0.750 1
1 4 . 8 1 1 A 2 2 SER HA H 2 4.544 4.370 0.174 1
1 7 . 8 1 1 A 2 2 SER CA C 2 58.424 61.140 -2.716 1
1 8 . 8 1 1 A 2 2 SER CB C 2 64.017 63.690 0.327 1
1 13 . 8 1 1 A 4 4 HIS HA H 4 4.504 4.115 0.389 1
1 17 . 8 1 1 A 4 4 HIS C C 4 175.043 176.684 -1.641 1
1 18 . 8 1 1 A 4 4 HIS CA C 4 58.574 60.586 -2.012 1
1 19 . 8 1 1 A 4 4 HIS CB C 4 30.859 30.084 0.775 1
1 20 . 8 1 1 A 5 5 GLU H H 5 10.002 8.916 1.086 1
1 21 . 8 1 1 A 5 5 GLU HA H 5 3.831 3.925 -0.094 1
1 26 . 8 1 1 A 5 5 GLU C C 5 173.758 177.056 -3.298 1
1 27 . 8 1 1 A 5 5 GLU CA C 5 61.822 58.729 3.093 1
1 28 . 8 1 1 A 5 5 GLU CB C 5 28.884 28.728 0.156 1
1 30 . 8 1 1 A 5 5 GLU N N 5 120.850 116.832 4.018 1
1 31 . 8 1 1 A 6 6 TYR H H 6 8.163 7.023 1.140 1
1 32 . 8 1 1 A 6 6 TYR HA H 6 4.066 4.486 -0.420 1
1 39 . 8 1 1 A 6 6 TYR C C 6 173.754 176.906 -3.152 1
1 40 . 8 1 1 A 6 6 TYR CA C 6 61.029 59.547 1.482 1
1 41 . 8 1 1 A 6 6 TYR CB C 6 37.391 37.486 -0.095 1
1 44 . 8 1 1 A 6 6 TYR N N 6 117.171 118.734 -1.563 1
1 45 . 8 1 1 A 7 7 SER H H 7 7.929 8.160 -0.231 1
1 46 . 8 1 1 A 7 7 SER HA H 7 4.265 4.009 0.256 1
1 49 . 8 1 1 A 7 7 SER C C 7 174.434 177.323 -2.889 1
1 50 . 8 1 1 A 7 7 SER CA C 7 61.471 61.742 -0.271 1
1 51 . 8 1 1 A 7 7 SER CB C 7 62.686 62.923 -0.237 1
1 52 . 8 1 1 A 7 7 SER N N 7 116.417 116.612 -0.195 1
1 53 . 8 1 1 A 8 8 VAL H H 8 8.088 7.861 0.227 1
1 54 . 8 1 1 A 8 8 VAL HA H 8 3.795 3.721 0.074 1
1 62 . 8 1 1 A 8 8 VAL C C 8 172.652 178.582 -5.930 1
1 63 . 8 1 1 A 8 8 VAL CA C 8 66.036 66.881 -0.845 1
1 64 . 8 1 1 A 8 8 VAL CB C 8 31.811 31.737 0.074 1
1 67 . 8 1 1 A 8 8 VAL N N 8 122.514 120.651 1.863 1
1 68 . 8 1 1 A 9 9 VAL H H 9 8.255 8.401 -0.146 1
1 69 . 8 1 1 A 9 9 VAL HA H 9 3.539 3.556 -0.017 1
1 77 . 8 1 1 A 9 9 VAL C C 9 174.142 177.998 -3.856 1
1 78 . 8 1 1 A 9 9 VAL CA C 9 67.201 67.058 0.143 1
1 79 . 8 1 1 A 9 9 VAL CB C 9 30.859 31.721 -0.862 1
1 82 . 8 1 1 A 9 9 VAL N N 9 120.829 120.981 -0.152 1
1 83 . 8 1 1 A 10 10 SER H H 10 8.179 8.300 -0.121 1
1 84 . 8 1 1 A 10 10 SER HA H 10 3.726 3.924 -0.198 1
1 87 . 8 1 1 A 10 10 SER C C 10 173.669 177.164 -3.495 1
1 88 . 8 1 1 A 10 10 SER CA C 10 62.397 61.527 0.870 1
1 89 . 8 1 1 A 10 10 SER CB C 10 62.470 62.718 -0.248 1
1 90 . 8 1 1 A 10 10 SER N N 10 115.937 115.067 0.870 1
1 91 . 8 1 1 A 11 11 SER H H 11 7.860 7.842 0.018 1
1 92 . 8 1 1 A 11 11 SER HA H 11 4.312 4.186 0.126 1
1 95 . 8 1 1 A 11 11 SER C C 11 174.888 177.445 -2.557 1
1 96 . 8 1 1 A 11 11 SER CA C 11 61.863 61.616 0.247 1
1 97 . 8 1 1 A 11 11 SER CB C 11 62.638 62.977 -0.339 1
1 98 . 8 1 1 A 11 11 SER N N 11 117.940 115.680 2.260 1
1 99 . 8 1 1 A 12 12 LEU H H 12 8.197 8.282 -0.085 1
1 100 . 8 1 1 A 12 12 LEU HA H 12 4.331 4.144 0.187 1
1 110 . 8 1 1 A 12 12 LEU C C 12 172.791 178.849 -6.058 1
1 111 . 8 1 1 A 12 12 LEU CA C 12 58.035 58.561 -0.526 1
1 112 . 8 1 1 A 12 12 LEU CB C 12 42.062 41.661 0.401 1
1 116 . 8 1 1 A 12 12 LEU N N 12 125.411 122.253 3.158 1
1 117 . 8 1 1 A 13 13 ILE H H 13 8.689 8.228 0.461 1
1 118 . 8 1 1 A 13 13 ILE HA H 13 3.654 3.696 -0.042 1
1 128 . 8 1 1 A 13 13 ILE C C 13 173.945 177.679 -3.734 1
1 129 . 8 1 1 A 13 13 ILE CA C 13 65.287 65.950 -0.663 1
1 130 . 8 1 1 A 13 13 ILE CB C 13 36.843 37.643 -0.800 1
1 134 . 8 1 1 A 13 13 ILE N N 13 121.352 120.154 1.198 1
1 135 . 8 1 1 A 14 14 ALA H H 14 7.692 8.225 -0.533 1
1 136 . 8 1 1 A 14 14 ALA HA H 14 4.218 4.056 0.162 1
1 140 . 8 1 1 A 14 14 ALA C C 14 170.805 180.138 -9.333 1
1 141 . 8 1 1 A 14 14 ALA CA C 14 55.484 55.224 0.260 1
1 142 . 8 1 1 A 14 14 ALA CB C 14 17.698 18.129 -0.431 1
1 143 . 8 1 1 A 14 14 ALA N N 14 121.374 122.654 -1.280 1
1 144 . 8 1 1 A 15 15 LEU H H 15 8.040 8.312 -0.272 1
1 145 . 8 1 1 A 15 15 LEU HA H 15 4.253 3.714 0.539 1
1 152 . 8 1 1 A 15 15 LEU C C 15 171.818 178.858 -7.040 1
1 153 . 8 1 1 A 15 15 LEU CA C 15 58.208 58.101 0.107 1
1 154 . 8 1 1 A 15 15 LEU CB C 15 42.286 42.058 0.228 1
1 157 . 8 1 1 A 15 15 LEU N N 15 121.328 118.307 3.021 1
1 158 . 8 1 1 A 16 16 CYS H H 16 8.587 8.519 0.068 1
1 159 . 8 1 1 A 16 16 CYS HA H 16 3.954 4.153 -0.199 1
1 162 . 8 1 1 A 16 16 CYS C C 16 174.494 176.802 -2.308 1
1 163 . 8 1 1 A 16 16 CYS CA C 16 64.933 63.734 1.199 1
1 164 . 8 1 1 A 16 16 CYS CB C 16 26.960 26.736 0.224 1
1 165 . 8 1 1 A 16 16 CYS N N 16 118.908 116.550 2.358 1
1 166 . 8 1 1 A 17 17 GLU H H 17 8.576 8.447 0.129 1
1 167 . 8 1 1 A 17 17 GLU HA H 17 3.806 3.969 -0.163 1
1 172 . 8 1 1 A 17 17 GLU C C 17 172.225 178.757 -6.532 1
1 173 . 8 1 1 A 17 17 GLU CA C 17 60.306 59.959 0.347 1
1 174 . 8 1 1 A 17 17 GLU CB C 17 29.130 29.084 0.046 1
1 176 . 8 1 1 A 17 17 GLU N N 17 118.419 121.420 -3.001 1
1 177 . 8 1 1 A 18 18 GLU H H 18 8.156 8.179 -0.023 1
1 178 . 8 1 1 A 18 18 GLU HA H 18 4.115 3.989 0.126 1
1 183 . 8 1 1 A 18 18 GLU C C 18 172.241 179.203 -6.962 1
1 184 . 8 1 1 A 18 18 GLU CA C 18 59.507 59.434 0.073 1
1 185 . 8 1 1 A 18 18 GLU CB C 18 29.335 29.327 0.008 1
1 187 . 8 1 1 A 18 18 GLU N N 18 121.603 118.907 2.696 1
1 188 . 8 1 1 A 19 19 HIS H H 19 8.379 8.094 0.285 1
1 189 . 8 1 1 A 19 19 HIS HA H 19 4.174 4.387 -0.213 1
1 194 . 8 1 1 A 19 19 HIS C C 19 172.511 177.590 -5.079 1
1 195 . 8 1 1 A 19 19 HIS CA C 19 60.525 59.677 0.848 1
1 196 . 8 1 1 A 19 19 HIS CB C 19 31.354 29.362 1.992 1
1 198 . 8 1 1 A 19 19 HIS N N 19 119.634 119.010 0.624 1
1 201 . 8 1 1 A 20 20 ALA H H 20 8.568 8.206 0.362 1
1 202 . 8 1 1 A 20 20 ALA HA H 20 4.143 3.873 0.270 1
1 206 . 8 1 1 A 20 20 ALA C C 20 172.155 179.232 -7.077 1
1 207 . 8 1 1 A 20 20 ALA CA C 20 55.716 55.368 0.348 1
1 208 . 8 1 1 A 20 20 ALA CB C 20 17.682 18.344 -0.662 1
1 209 . 8 1 1 A 20 20 ALA N N 20 122.453 122.334 0.119 1
1 210 . 8 1 1 A 21 21 LYS H H 21 8.055 7.713 0.342 1
1 211 . 8 1 1 A 21 21 LYS HA H 21 4.128 3.827 0.301 1
1 220 . 8 1 1 A 21 21 LYS C C 21 170.753 178.768 -8.015 1
1 221 . 8 1 1 A 21 21 LYS CA C 21 59.469 59.122 0.347 1
1 222 . 8 1 1 A 21 21 LYS CB C 21 32.369 31.858 0.511 1
1 226 . 8 1 1 A 21 21 LYS N N 21 118.604 116.589 2.015 1
1 227 . 8 1 1 A 22 22 LYS H H 22 8.092 7.788 0.304 1
1 228 . 8 1 1 A 22 22 LYS HA H 22 4.100 4.017 0.083 1
1 237 . 8 1 1 A 22 22 LYS C C 22 174.300 178.174 -3.874 1
1 238 . 8 1 1 A 22 22 LYS CA C 22 58.920 59.422 -0.502 1
1 239 . 8 1 1 A 22 22 LYS CB C 22 32.406 32.273 0.133 1
1 243 . 8 1 1 A 22 22 LYS N N 22 119.468 119.592 -0.124 1
1 244 . 8 1 1 A 23 23 ASN H H 23 7.461 7.920 -0.459 1
1 245 . 8 1 1 A 23 23 ASN HA H 23 4.710 4.788 -0.078 1
1 248 . 8 1 1 A 23 23 ASN C C 23 178.526 174.800 3.726 1
1 249 . 8 1 1 A 23 23 ASN CA C 23 53.514 53.469 0.045 1
1 250 . 8 1 1 A 23 23 ASN CB C 23 40.124 38.972 1.152 1
1 251 . 8 1 1 A 23 23 ASN N N 23 115.166 117.042 -1.876 1
1 252 . 8 1 1 A 24 24 GLN H H 24 7.879 7.854 0.025 1
1 253 . 8 1 1 A 24 24 GLN HA H 24 3.927 3.812 0.115 1
1 260 . 8 1 1 A 24 24 GLN C C 24 177.284 175.484 1.800 1
1 261 . 8 1 1 A 24 24 GLN CA C 24 57.083 56.784 0.299 1
1 262 . 8 1 1 A 24 24 GLN CB C 24 26.400 26.095 0.305 1
1 264 . 8 1 1 A 24 24 GLN N N 24 116.046 116.451 -0.405 1
1 266 . 8 1 1 A 25 25 ALA H H 25 8.491 8.309 0.182 1
1 267 . 8 1 1 A 25 25 ALA HA H 25 4.600 4.298 0.302 1
1 271 . 8 1 1 A 25 25 ALA C C 25 174.729 177.733 -3.004 1
1 272 . 8 1 1 A 25 25 ALA CA C 25 51.416 53.708 -2.292 1
1 273 . 8 1 1 A 25 25 ALA CB C 25 21.350 19.660 1.690 1
1 274 . 8 1 1 A 25 25 ALA N N 25 120.372 120.456 -0.084 1
1 275 . 8 1 1 A 26 26 HIS H H 26 8.476 7.828 0.648 1
1 276 . 8 1 1 A 26 26 HIS HA H 26 4.736 4.185 0.551 1
1 280 . 8 1 1 A 26 26 HIS C C 26 176.751 173.732 3.019 1
1 281 . 8 1 1 A 26 26 HIS CA C 26 56.211 57.244 -1.033 1
1 282 . 8 1 1 A 26 26 HIS CB C 26 31.838 27.142 4.696 1
1 284 . 8 1 1 A 26 26 HIS N N 26 117.648 112.518 5.130 1
1 285 . 8 1 1 A 27 27 LYS H H 27 7.540 7.625 -0.085 1
1 286 . 8 1 1 A 27 27 LYS HA H 27 4.766 4.784 -0.018 1
1 295 . 8 1 1 A 27 27 LYS C C 27 176.918 174.151 2.767 1
1 296 . 8 1 1 A 27 27 LYS CA C 27 55.877 55.645 0.232 1
1 297 . 8 1 1 A 27 27 LYS CB C 27 36.796 36.124 0.672 1
1 301 . 8 1 1 A 27 27 LYS N N 27 116.451 118.215 -1.764 1
1 302 . 8 1 1 A 28 28 ILE H H 28 8.320 8.782 -0.462 1
1 303 . 8 1 1 A 28 28 ILE HA H 28 4.319 4.905 -0.586 1
1 310 . 8 1 1 A 28 28 ILE C C 28 176.921 175.714 1.207 1
1 311 . 8 1 1 A 28 28 ILE CA C 28 60.552 60.229 0.323 1
1 312 . 8 1 1 A 28 28 ILE CB C 28 38.843 41.804 -2.961 1
1 313 . 8 1 1 A 28 28 ILE N N 28 123.140 121.669 1.471 1
1 314 . 8 1 1 A 29 29 GLU H H 29 9.001 9.370 -0.369 1
1 315 . 8 1 1 A 29 29 GLU HA H 29 4.446 4.294 0.152 1
1 320 . 8 1 1 A 29 29 GLU C C 29 174.406 175.756 -1.350 1
1 321 . 8 1 1 A 29 29 GLU CA C 29 57.363 58.283 -0.920 1
1 322 . 8 1 1 A 29 29 GLU CB C 29 31.761 30.587 1.174 1
1 324 . 8 1 1 A 29 29 GLU N N 29 125.872 128.001 -2.129 1
1 325 . 8 1 1 A 30 30 ARG H H 30 7.654 7.666 -0.012 1
1 326 . 8 1 1 A 30 30 ARG HA H 30 5.282 5.017 0.265 1
1 334 . 8 1 1 A 30 30 ARG C C 30 178.750 173.585 5.165 1
1 335 . 8 1 1 A 30 30 ARG CA C 30 55.558 55.370 0.188 1
1 336 . 8 1 1 A 30 30 ARG CB C 30 34.774 33.799 0.975 1
1 338 . 8 1 1 A 30 30 ARG N N 30 119.436 118.723 0.713 1
1 340 . 8 1 1 A 31 31 VAL H H 31 9.234 8.944 0.290 1
1 341 . 8 1 1 A 31 31 VAL HA H 31 4.397 4.753 -0.356 1
1 349 . 8 1 1 A 31 31 VAL C C 31 178.662 174.010 4.652 1
1 350 . 8 1 1 A 31 31 VAL CA C 31 60.882 60.292 0.590 1
1 351 . 8 1 1 A 31 31 VAL CB C 31 34.494 34.274 0.220 1
1 354 . 8 1 1 A 31 31 VAL N N 31 127.428 121.807 5.621 1
1 355 . 8 1 1 A 32 32 VAL H H 32 8.626 9.327 -0.701 1
1 356 . 8 1 1 A 32 32 VAL HA H 32 5.039 4.670 0.369 1
1 364 . 8 1 1 A 32 32 VAL C C 32 175.519 175.272 0.247 1
1 365 . 8 1 1 A 32 32 VAL CA C 32 60.917 62.198 -1.281 1
1 366 . 8 1 1 A 32 32 VAL CB C 32 31.892 31.822 0.070 1
1 368 . 8 1 1 A 32 32 VAL N N 32 126.581 130.337 -3.756 1
1 369 . 8 1 1 A 33 33 VAL H H 33 8.802 9.335 -0.533 1
1 370 . 8 1 1 A 33 33 VAL HA H 33 4.917 4.574 0.343 1
1 378 . 8 1 1 A 33 33 VAL C C 33 178.038 175.073 2.965 1
1 379 . 8 1 1 A 33 33 VAL CA C 33 58.975 60.718 -1.743 1
1 380 . 8 1 1 A 33 33 VAL CB C 33 35.109 35.172 -0.063 1
1 383 . 8 1 1 A 33 33 VAL N N 33 122.994 127.646 -4.652 1
1 384 . 8 1 1 A 34 34 GLY H H 34 9.535 9.208 0.327 1
1 385 . 8 1 1 A 34 34 GLY HA2 H 34 5.187 4.067 1.120 1
1 386 . 8 1 1 A 34 34 GLY HA3 H 34 3.404 4.069 -0.665 1
1 387 . 8 1 1 A 34 34 GLY C C 34 178.060 172.556 5.504 1
1 388 . 8 1 1 A 34 34 GLY CA C 34 44.108 44.896 -0.788 1
1 389 . 8 1 1 A 34 34 GLY N N 34 112.269 114.932 -2.663 1
1 390 . 8 1 1 A 35 35 ILE H H 35 8.761 9.567 -0.806 1
1 391 . 8 1 1 A 35 35 ILE HA H 35 4.340 4.671 -0.331 1
1 401 . 8 1 1 A 35 35 ILE C C 35 174.823 176.091 -1.268 1
1 402 . 8 1 1 A 35 35 ILE CA C 35 60.287 59.421 0.866 1
1 403 . 8 1 1 A 35 35 ILE CB C 35 39.357 40.604 -1.247 1
1 407 . 8 1 1 A 35 35 ILE N N 35 123.848 125.795 -1.947 1
1 408 . 8 1 1 A 36 36 GLY H H 36 8.439 8.584 -0.145 1
1 409 . 8 1 1 A 36 36 GLY HA2 H 36 3.321 4.081 -0.760 1
1 410 . 8 1 1 A 36 36 GLY HA3 H 36 4.444 4.084 0.360 1
1 411 . 8 1 1 A 36 36 GLY C C 36 175.743 175.126 0.617 1
1 412 . 8 1 1 A 36 36 GLY CA C 36 46.389 45.752 0.637 1
1 413 . 8 1 1 A 36 36 GLY N N 36 117.219 114.217 3.002 1
1 414 . 8 1 1 A 37 37 GLU H H 37 8.756 9.118 -0.362 1
1 415 . 8 1 1 A 37 37 GLU HA H 37 4.277 4.106 0.171 1
1 420 . 8 1 1 A 37 37 GLU C C 37 174.413 176.852 -2.439 1
1 421 . 8 1 1 A 37 37 GLU CA C 37 58.568 58.550 0.018 1
1 422 . 8 1 1 A 37 37 GLU CB C 37 29.809 29.053 0.756 1
1 424 . 8 1 1 A 37 37 GLU N N 37 124.260 121.574 2.686 1
1 425 . 8 1 1 A 38 38 ARG H H 38 8.483 7.782 0.701 1
1 426 . 8 1 1 A 38 38 ARG HA H 38 4.594 4.534 0.060 1
1 434 . 8 1 1 A 38 38 ARG C C 38 175.250 176.854 -1.604 1
1 435 . 8 1 1 A 38 38 ARG CA C 38 54.916 55.679 -0.763 1
1 436 . 8 1 1 A 38 38 ARG CB C 38 29.706 30.862 -1.156 1
1 439 . 8 1 1 A 38 38 ARG N N 38 117.248 119.853 -2.605 1
1 441 . 8 1 1 A 39 39 SER H H 39 7.630 7.765 -0.135 1
1 442 . 8 1 1 A 39 39 SER HA H 39 4.139 4.461 -0.322 1
1 445 . 8 1 1 A 39 39 SER C C 39 176.694 173.620 3.074 1
1 446 . 8 1 1 A 39 39 SER CA C 39 59.524 58.856 0.668 1
1 447 . 8 1 1 A 39 39 SER CB C 39 64.248 63.233 1.015 1
1 448 . 8 1 1 A 39 39 SER N N 39 115.086 114.596 0.490 1
1 449 . 8 1 1 A 40 40 ALA H H 40 8.667 7.975 0.692 1
1 450 . 8 1 1 A 40 40 ALA HA H 40 4.267 3.953 0.314 1
1 454 . 8 1 1 A 40 40 ALA C C 40 174.406 176.298 -1.892 1
1 455 . 8 1 1 A 40 40 ALA CA C 40 52.641 53.429 -0.788 1
1 456 . 8 1 1 A 40 40 ALA CB C 40 17.976 17.620 0.356 1
1 457 . 8 1 1 A 40 40 ALA N N 40 126.133 122.336 3.797 1
1 458 . 8 1 1 A 41 41 MET H H 41 7.793 7.676 0.117 1
1 459 . 8 1 1 A 41 41 MET HA H 41 4.389 4.508 -0.119 1
1 467 . 8 1 1 A 41 41 MET C C 41 176.689 175.228 1.461 1
1 468 . 8 1 1 A 41 41 MET CA C 41 55.965 55.033 0.932 1
1 469 . 8 1 1 A 41 41 MET CB C 41 34.761 32.840 1.921 1
1 472 . 8 1 1 A 41 41 MET N N 41 117.758 116.673 1.085 1
1 473 . 8 1 1 A 42 42 ASP H H 42 9.667 8.789 0.878 1
1 474 . 8 1 1 A 42 42 ASP HA H 42 4.706 4.707 -0.001 1
1 477 . 8 1 1 A 42 42 ASP C C 42 174.559 177.256 -2.697 1
1 478 . 8 1 1 A 42 42 ASP CA C 42 53.363 53.786 -0.423 1
1 479 . 8 1 1 A 42 42 ASP CB C 42 41.740 39.065 2.675 1
1 480 . 8 1 1 A 42 42 ASP N N 42 125.565 124.027 1.538 1
1 481 . 8 1 1 A 43 43 LYS H H 43 8.928 8.179 0.749 1
1 482 . 8 1 1 A 43 43 LYS HA H 43 3.752 4.112 -0.360 1
1 491 . 8 1 1 A 43 43 LYS C C 43 173.737 178.740 -5.003 1
1 492 . 8 1 1 A 43 43 LYS CA C 43 60.966 59.088 1.878 1
1 493 . 8 1 1 A 43 43 LYS CB C 43 32.585 32.038 0.547 1
1 497 . 8 1 1 A 43 43 LYS N N 43 127.256 123.430 3.826 1
1 498 . 8 1 1 A 44 44 SER H H 44 8.327 7.821 0.506 1
1 499 . 8 1 1 A 44 44 SER HA H 44 4.009 4.288 -0.279 1
1 502 . 8 1 1 A 44 44 SER C C 44 174.032 177.496 -3.464 1
1 503 . 8 1 1 A 44 44 SER CA C 44 62.461 61.406 1.055 1
1 504 . 8 1 1 A 44 44 SER CB C 44 62.281 62.973 -0.692 1
1 505 . 8 1 1 A 44 44 SER N N 44 114.797 115.179 -0.382 1
1 506 . 8 1 1 A 45 45 LEU H H 45 7.878 8.131 -0.253 1
1 507 . 8 1 1 A 45 45 LEU HA H 45 4.254 4.129 0.125 1
1 517 . 8 1 1 A 45 45 LEU C C 45 172.915 179.029 -6.114 1
1 518 . 8 1 1 A 45 45 LEU CA C 45 57.128 58.489 -1.361 1
1 519 . 8 1 1 A 45 45 LEU CB C 45 41.738 41.990 -0.252 1
1 523 . 8 1 1 A 45 45 LEU N N 45 124.570 122.318 2.252 1
1 524 . 8 1 1 A 46 46 PHE H H 46 8.343 8.510 -0.167 1
1 525 . 8 1 1 A 46 46 PHE HA H 46 3.882 4.203 -0.321 1
1 532 . 8 1 1 A 46 46 PHE C C 46 175.104 177.154 -2.050 1
1 533 . 8 1 1 A 46 46 PHE CA C 46 61.820 61.766 0.054 1
1 534 . 8 1 1 A 46 46 PHE CB C 46 40.047 39.251 0.796 1
1 537 . 8 1 1 A 46 46 PHE N N 46 121.059 119.443 1.616 1
1 538 . 8 1 1 A 47 47 VAL H H 47 8.370 8.228 0.142 1
1 539 . 8 1 1 A 47 47 VAL HA H 47 3.466 3.694 -0.228 1
1 547 . 8 1 1 A 47 47 VAL C C 47 173.353 177.853 -4.500 1
1 548 . 8 1 1 A 47 47 VAL CA C 47 67.220 64.672 2.548 1
1 549 . 8 1 1 A 47 47 VAL CB C 47 31.927 31.258 0.669 1
1 552 . 8 1 1 A 47 47 VAL N N 47 118.023 119.347 -1.324 1
1 553 . 8 1 1 A 48 48 SER H H 48 7.967 8.131 -0.164 1
1 554 . 8 1 1 A 48 48 SER HA H 48 4.268 4.120 0.148 1
1 557 . 8 1 1 A 48 48 SER C C 48 174.187 177.198 -3.011 1
1 558 . 8 1 1 A 48 48 SER CA C 48 61.789 61.409 0.380 1
1 559 . 8 1 1 A 48 48 SER CB C 48 62.761 63.252 -0.491 1
1 560 . 8 1 1 A 48 48 SER N N 48 114.372 117.091 -2.719 1
1 561 . 8 1 1 A 49 49 ALA H H 49 8.489 8.220 0.269 1
1 562 . 8 1 1 A 49 49 ALA HA H 49 3.931 4.079 -0.148 1
1 566 . 8 1 1 A 49 49 ALA C C 49 172.626 179.493 -6.867 1
1 567 . 8 1 1 A 49 49 ALA CA C 49 55.067 55.020 0.047 1
1 568 . 8 1 1 A 49 49 ALA CB C 49 17.587 18.637 -1.050 1
1 569 . 8 1 1 A 49 49 ALA N N 49 124.199 122.918 1.281 1
1 570 . 8 1 1 A 50 50 PHE H H 50 8.510 8.520 -0.010 1
1 571 . 8 1 1 A 50 50 PHE HA H 50 3.763 3.977 -0.214 1
1 578 . 8 1 1 A 50 50 PHE C C 50 174.923 177.232 -2.309 1
1 579 . 8 1 1 A 50 50 PHE CA C 50 63.098 61.632 1.466 1
1 580 . 8 1 1 A 50 50 PHE CB C 50 39.465 39.018 0.447 1
1 583 . 8 1 1 A 50 50 PHE N N 50 120.967 119.683 1.284 1
1 584 . 8 1 1 A 51 51 GLU H H 51 8.561 8.714 -0.153 1
1 585 . 8 1 1 A 51 51 GLU HA H 51 3.717 3.779 -0.062 1
1 590 . 8 1 1 A 51 51 GLU C C 51 173.002 179.179 -6.177 1
1 591 . 8 1 1 A 51 51 GLU CA C 51 59.750 59.293 0.457 1
1 592 . 8 1 1 A 51 51 GLU CB C 51 29.330 29.078 0.252 1
1 594 . 8 1 1 A 51 51 GLU N N 51 116.915 117.658 -0.743 1
1 595 . 8 1 1 A 52 52 THR H H 52 7.759 7.561 0.198 1
1 596 . 8 1 1 A 52 52 THR HA H 52 4.090 3.798 0.292 1
1 601 . 8 1 1 A 52 52 THR C C 52 174.897 175.805 -0.908 1
1 602 . 8 1 1 A 52 52 THR CA C 52 65.899 66.273 -0.374 1
1 603 . 8 1 1 A 52 52 THR CB C 52 69.172 68.506 0.666 1
1 605 . 8 1 1 A 52 52 THR N N 52 114.348 117.161 -2.813 1
1 606 . 8 1 1 A 53 53 PHE H H 53 8.725 7.933 0.792 1
1 607 . 8 1 1 A 53 53 PHE HA H 53 4.335 4.383 -0.048 1
1 614 . 8 1 1 A 53 53 PHE C C 53 172.389 177.991 -5.602 1
1 615 . 8 1 1 A 53 53 PHE CA C 53 60.011 61.254 -1.243 1
1 616 . 8 1 1 A 53 53 PHE CB C 53 38.244 37.669 0.575 1
1 619 . 8 1 1 A 53 53 PHE N N 53 120.493 117.986 2.507 1
1 620 . 8 1 1 A 54 54 ARG H H 54 8.579 7.933 0.646 1
1 621 . 8 1 1 A 54 54 ARG HA H 54 3.626 3.906 -0.280 1
1 625 . 8 1 1 A 54 54 ARG C C 54 175.195 177.467 -2.272 1
1 626 . 8 1 1 A 54 54 ARG CA C 54 59.252 58.150 1.102 1
1 627 . 8 1 1 A 54 54 ARG CB C 54 26.544 29.142 -2.598 1
1 629 . 8 1 1 A 54 54 ARG N N 54 119.132 118.690 0.442 1
1 631 . 8 1 1 A 55 55 GLU H H 55 6.758 8.343 -1.585 1
1 632 . 8 1 1 A 55 55 GLU HA H 55 3.983 4.035 -0.052 1
1 637 . 8 1 1 A 55 55 GLU C C 55 174.356 179.778 -5.422 1
1 638 . 8 1 1 A 55 55 GLU CA C 55 58.002 59.292 -1.290 1
1 639 . 8 1 1 A 55 55 GLU CB C 55 29.865 29.219 0.646 1
1 641 . 8 1 1 A 55 55 GLU N N 55 115.466 118.515 -3.049 1
1 642 . 8 1 1 A 56 56 GLU H H 56 7.245 7.665 -0.420 1
1 643 . 8 1 1 A 56 56 GLU HA H 56 4.294 4.098 0.196 1
1 648 . 8 1 1 A 56 56 GLU C C 56 175.946 175.768 0.178 1
1 649 . 8 1 1 A 56 56 GLU CA C 56 55.827 58.502 -2.675 1
1 650 . 8 1 1 A 56 56 GLU CB C 56 30.030 29.624 0.406 1
1 652 . 8 1 1 A 56 56 GLU N N 56 114.653 120.278 -5.625 1
1 653 . 8 1 1 A 57 57 SER H H 57 7.405 7.504 -0.099 1
1 654 . 8 1 1 A 57 57 SER HA H 57 4.707 4.823 -0.116 1
1 657 . 8 1 1 A 57 57 SER C C 57 176.895 173.711 3.184 1
1 658 . 8 1 1 A 57 57 SER CA C 57 55.456 55.838 -0.382 1
1 659 . 8 1 1 A 57 57 SER CB C 57 64.059 65.683 -1.624 1
1 660 . 8 1 1 A 57 57 SER N N 57 114.312 113.422 0.890 1
1 661 . 8 1 1 A 58 58 LEU H H 58 8.819 8.530 0.289 1
1 662 . 8 1 1 A 58 58 LEU HA H 58 4.120 4.459 -0.339 1
1 672 . 8 1 1 A 58 58 LEU C C 58 172.006 178.554 -6.548 1
1 673 . 8 1 1 A 58 58 LEU CA C 58 58.438 56.804 1.634 1
1 674 . 8 1 1 A 58 58 LEU CB C 58 41.839 43.625 -1.786 1
1 678 . 8 1 1 A 58 58 LEU N N 58 129.477 125.438 4.039 1
1 679 . 8 1 1 A 59 59 VAL H H 59 7.929 8.284 -0.355 1
1 680 . 8 1 1 A 59 59 VAL HA H 59 4.305 3.968 0.337 1
1 688 . 8 1 1 A 59 59 VAL C C 59 173.624 177.976 -4.352 1
1 689 . 8 1 1 A 59 59 VAL CA C 59 64.028 64.709 -0.681 1
1 690 . 8 1 1 A 59 59 VAL CB C 59 33.135 31.417 1.718 1
1 693 . 8 1 1 A 59 59 VAL N N 59 112.367 115.943 -3.576 1
1 694 . 8 1 1 A 60 60 CYS H H 60 7.786 7.997 -0.211 1
1 695 . 8 1 1 A 60 60 CYS HA H 60 4.589 4.407 0.182 1
1 698 . 8 1 1 A 60 60 CYS C C 60 176.508 176.491 0.017 1
1 699 . 8 1 1 A 60 60 CYS CA C 60 59.907 62.475 -2.568 1
1 700 . 8 1 1 A 60 60 CYS CB C 60 28.211 26.817 1.394 1
1 701 . 8 1 1 A 60 60 CYS N N 60 115.412 120.068 -4.656 1
1 702 . 8 1 1 A 61 61 LYS H H 61 7.415 7.654 -0.239 1
1 703 . 8 1 1 A 61 61 LYS HA H 61 3.820 4.047 -0.227 1
1 712 . 8 1 1 A 61 61 LYS C C 61 175.812 177.404 -1.592 1
1 713 . 8 1 1 A 61 61 LYS CA C 61 60.389 58.231 2.158 1
1 714 . 8 1 1 A 61 61 LYS CB C 61 32.606 32.076 0.530 1
1 718 . 8 1 1 A 61 61 LYS N N 61 120.942 119.485 1.457 1
1 719 . 8 1 1 A 62 62 ASP C C 62 175.254 176.066 -0.812 1
1 720 . 8 1 1 A 62 62 ASP CA C 62 55.159 53.166 1.993 1
1 721 . 8 1 1 A 62 62 ASP CB C 62 42.358 41.834 0.524 1
1 722 . 8 1 1 A 64 64 ILE H H 64 7.784 8.216 -0.432 1
1 723 . 8 1 1 A 64 64 ILE HA H 64 4.126 4.973 -0.847 1
1 733 . 8 1 1 A 64 64 ILE C C 64 177.456 174.152 3.304 1
1 734 . 8 1 1 A 64 64 ILE CA C 64 60.516 59.602 0.914 1
1 735 . 8 1 1 A 64 64 ILE CB C 64 39.990 41.656 -1.666 1
1 739 . 8 1 1 A 64 64 ILE N N 64 122.653 118.849 3.804 1
1 740 . 8 1 1 A 65 65 LEU H H 65 8.357 8.892 -0.535 1
1 741 . 8 1 1 A 65 65 LEU HA H 65 4.858 5.019 -0.161 1
1 751 . 8 1 1 A 65 65 LEU C C 65 176.625 174.638 1.987 1
1 752 . 8 1 1 A 65 65 LEU CA C 65 53.315 53.266 0.049 1
1 753 . 8 1 1 A 65 65 LEU CB C 65 43.307 44.591 -1.284 1
1 757 . 8 1 1 A 65 65 LEU N N 65 128.311 127.474 0.837 1
1 758 . 8 1 1 A 66 66 ASP H H 66 9.088 9.139 -0.051 1
1 759 . 8 1 1 A 66 66 ASP HA H 66 5.009 4.757 0.252 1
1 762 . 8 1 1 A 66 66 ASP C C 66 177.504 174.657 2.847 1
1 763 . 8 1 1 A 66 66 ASP CA C 66 53.137 53.230 -0.093 1
1 764 . 8 1 1 A 66 66 ASP CB C 66 44.234 40.541 3.693 1
1 765 . 8 1 1 A 66 66 ASP N N 66 129.457 127.616 1.841 1
1 766 . 8 1 1 A 67 67 ILE H H 67 8.240 8.395 -0.155 1
1 767 . 8 1 1 A 67 67 ILE HA H 67 4.759 4.355 0.404 1
1 777 . 8 1 1 A 67 67 ILE C C 67 175.569 175.692 -0.123 1
1 778 . 8 1 1 A 67 67 ILE CA C 67 59.640 60.963 -1.323 1
1 779 . 8 1 1 A 67 67 ILE CB C 67 39.948 37.447 2.501 1
1 783 . 8 1 1 A 67 67 ILE N N 67 120.821 126.786 -5.965 1
1 784 . 8 1 1 A 68 68 VAL H H 68 9.310 9.203 0.107 1
1 785 . 8 1 1 A 68 68 VAL HA H 68 4.149 4.430 -0.281 1
1 793 . 8 1 1 A 68 68 VAL C C 68 176.697 174.765 1.932 1
1 794 . 8 1 1 A 68 68 VAL CA C 68 60.707 61.806 -1.099 1
1 795 . 8 1 1 A 68 68 VAL CB C 68 34.121 32.604 1.517 1
1 798 . 8 1 1 A 68 68 VAL N N 68 130.182 128.423 1.759 1
1 799 . 8 1 1 A 69 69 ASP H H 69 8.577 8.745 -0.168 1
1 800 . 8 1 1 A 69 69 ASP HA H 69 4.847 4.702 0.145 1
1 803 . 8 1 1 A 69 69 ASP C C 69 175.713 174.525 1.188 1
1 804 . 8 1 1 A 69 69 ASP CA C 69 54.357 53.492 0.865 1
1 805 . 8 1 1 A 69 69 ASP CB C 69 41.353 40.506 0.847 1
1 806 . 8 1 1 A 69 69 ASP N N 69 127.151 128.247 -1.096 1
1 807 . 8 1 1 A 70 70 GLU H H 70 7.857 8.805 -0.948 1
1 808 . 8 1 1 A 70 70 GLU HA H 70 4.563 4.581 -0.018 1
1 813 . 8 1 1 A 70 70 GLU C C 70 176.179 176.109 0.070 1
1 814 . 8 1 1 A 70 70 GLU CA C 70 56.333 56.135 0.198 1
1 815 . 8 1 1 A 70 70 GLU CB C 70 31.503 30.329 1.174 1
1 817 . 8 1 1 A 70 70 GLU N N 70 123.503 126.573 -3.070 1
1 818 . 8 1 1 A 71 71 LYS H H 71 8.517 8.489 0.028 1
1 819 . 8 1 1 A 71 71 LYS HA H 71 4.261 4.339 -0.078 1
1 828 . 8 1 1 A 71 71 LYS C C 71 175.084 176.565 -1.481 1
1 829 . 8 1 1 A 71 71 LYS CA C 71 55.210 56.867 -1.657 1
1 830 . 8 1 1 A 71 71 LYS CB C 71 33.019 32.895 0.124 1
1 834 . 8 1 1 A 71 71 LYS N N 71 124.197 124.548 -0.351 1
1 835 . 8 1 1 A 72 72 VAL H H 72 8.612 8.724 -0.112 1
1 836 . 8 1 1 A 72 72 VAL HA H 72 4.277 4.552 -0.275 1
1 844 . 8 1 1 A 72 72 VAL C C 72 176.529 174.999 1.530 1
1 845 . 8 1 1 A 72 72 VAL CA C 72 63.133 61.293 1.840 1
1 846 . 8 1 1 A 72 72 VAL CB C 72 32.188 33.228 -1.040 1
1 849 . 8 1 1 A 72 72 VAL N N 72 119.616 123.823 -4.207 1
1 850 . 8 1 1 A 73 73 GLU H H 73 7.750 8.705 -0.955 1
1 851 . 8 1 1 A 73 73 GLU HA H 73 4.469 4.680 -0.211 1
1 856 . 8 1 1 A 73 73 GLU C C 73 178.456 174.104 4.352 1
1 857 . 8 1 1 A 73 73 GLU CA C 73 55.241 55.255 -0.014 1
1 858 . 8 1 1 A 73 73 GLU CB C 73 34.536 33.968 0.568 1
1 860 . 8 1 1 A 73 73 GLU N N 73 126.126 126.606 -0.480 1
1 861 . 8 1 1 A 74 74 LEU H H 74 8.495 9.241 -0.746 1
1 862 . 8 1 1 A 74 74 LEU HA H 74 5.207 4.968 0.239 1
1 869 . 8 1 1 A 74 74 LEU C C 74 176.827 176.240 0.587 1
1 870 . 8 1 1 A 74 74 LEU CA C 74 52.600 53.294 -0.694 1
1 871 . 8 1 1 A 74 74 LEU CB C 74 45.404 42.746 2.658 1
1 874 . 8 1 1 A 74 74 LEU N N 74 123.821 127.323 -3.502 1
1 875 . 8 1 1 A 75 75 GLU H H 75 8.770 8.566 0.204 1
1 876 . 8 1 1 A 75 75 GLU HA H 75 5.127 4.425 0.702 1
1 881 . 8 1 1 A 75 75 GLU C C 75 176.617 175.586 1.031 1
1 882 . 8 1 1 A 75 75 GLU CA C 75 53.748 55.605 -1.857 1
1 883 . 8 1 1 A 75 75 GLU CB C 75 33.910 30.802 3.108 1
1 885 . 8 1 1 A 75 75 GLU N N 75 118.723 124.219 -5.496 1
1 886 . 8 1 1 A 76 76 CYS H H 76 9.354 8.504 0.850 1
1 887 . 8 1 1 A 76 76 CYS HA H 76 4.665 4.542 0.123 1
1 890 . 8 1 1 A 76 76 CYS C C 76 173.085 175.645 -2.560 1
1 891 . 8 1 1 A 76 76 CYS CA C 76 59.386 58.630 0.756 1
1 892 . 8 1 1 A 76 76 CYS CB C 76 32.476 28.468 4.008 1
1 893 . 8 1 1 A 76 76 CYS N N 76 128.378 121.372 7.006 1
1 894 . 8 1 1 A 77 77 LYS H H 77 9.328 8.704 0.624 1
1 895 . 8 1 1 A 77 77 LYS HA H 77 4.279 4.013 0.266 1
1 904 . 8 1 1 A 77 77 LYS C C 77 174.709 177.075 -2.366 1
1 905 . 8 1 1 A 77 77 LYS CA C 77 56.997 59.263 -2.266 1
1 906 . 8 1 1 A 77 77 LYS CB C 77 31.240 32.638 -1.398 1
1 910 . 8 1 1 A 77 77 LYS N N 77 129.264 126.093 3.171 1
1 911 . 8 1 1 A 78 78 ASP H H 78 9.182 8.144 1.038 1
1 912 . 8 1 1 A 78 78 ASP HA H 78 4.945 4.862 0.083 1
1 915 . 8 1 1 A 78 78 ASP C C 78 173.961 174.484 -0.523 1
1 916 . 8 1 1 A 78 78 ASP CA C 78 56.797 52.751 4.046 1
1 917 . 8 1 1 A 78 78 ASP CB C 78 42.214 41.215 0.999 1
1 918 . 8 1 1 A 78 78 ASP N N 78 122.206 116.770 5.436 1
1 919 . 8 1 1 A 79 79 CYS H H 79 9.871 7.868 2.003 1
1 920 . 8 1 1 A 79 79 CYS HA H 79 5.165 4.816 0.349 1
1 923 . 8 1 1 A 79 79 CYS C C 79 174.253 173.606 0.647 1
1 924 . 8 1 1 A 79 79 CYS CA C 79 59.123 57.760 1.363 1
1 925 . 8 1 1 A 79 79 CYS CB C 79 32.286 30.339 1.947 1
1 926 . 8 1 1 A 79 79 CYS N N 79 124.020 122.830 1.190 1
1 927 . 8 1 1 A 80 80 SER H H 80 7.667 8.660 -0.993 1
1 928 . 8 1 1 A 80 80 SER HA H 80 4.564 4.752 -0.188 1
1 931 . 8 1 1 A 80 80 SER C C 80 178.621 173.501 5.120 1
1 932 . 8 1 1 A 80 80 SER CA C 80 62.038 57.491 4.547 1
1 933 . 8 1 1 A 80 80 SER CB C 80 62.215 65.171 -2.956 1
1 934 . 8 1 1 A 80 80 SER N N 80 115.904 117.176 -1.272 1
1 935 . 8 1 1 A 81 81 HIS H H 81 8.916 7.648 1.268 1
1 936 . 8 1 1 A 81 81 HIS HA H 81 4.649 4.952 -0.303 1
1 941 . 8 1 1 A 81 81 HIS C C 81 178.299 173.436 4.863 1
1 942 . 8 1 1 A 81 81 HIS CA C 81 58.348 54.551 3.797 1
1 943 . 8 1 1 A 81 81 HIS CB C 81 33.016 33.490 -0.474 1
1 946 . 8 1 1 A 81 81 HIS N N 81 125.397 120.722 4.675 1
1 949 . 8 1 1 A 82 82 VAL H H 82 7.058 7.761 -0.703 1
1 950 . 8 1 1 A 82 82 VAL HA H 82 5.212 4.625 0.587 1
1 958 . 8 1 1 A 82 82 VAL C C 82 176.161 174.398 1.763 1
1 959 . 8 1 1 A 82 82 VAL CA C 82 60.567 60.644 -0.077 1
1 960 . 8 1 1 A 82 82 VAL CB C 82 34.355 35.512 -1.157 1
1 963 . 8 1 1 A 82 82 VAL N N 82 125.314 122.610 2.704 1
1 964 . 8 1 1 A 83 83 PHE H H 83 8.883 8.553 0.330 1
1 965 . 8 1 1 A 83 83 PHE HA H 83 4.842 5.287 -0.445 1
1 972 . 8 1 1 A 83 83 PHE C C 83 179.687 172.745 6.942 1
1 973 . 8 1 1 A 83 83 PHE CA C 83 55.495 55.380 0.115 1
1 974 . 8 1 1 A 83 83 PHE CB C 83 40.651 41.820 -1.169 1
1 978 . 8 1 1 A 83 83 PHE N N 83 122.377 122.601 -0.224 1
1 979 . 8 1 1 A 84 84 LYS H H 84 8.658 8.982 -0.324 1
1 980 . 8 1 1 A 84 84 LYS HA H 84 5.001 5.005 -0.004 1
1 989 . 8 1 1 A 84 84 LYS C C 84 176.705 174.513 2.192 1
1 990 . 8 1 1 A 84 84 LYS CA C 84 52.738 53.682 -0.944 1
1 991 . 8 1 1 A 84 84 LYS CB C 84 32.660 35.049 -2.389 1
1 995 . 8 1 1 A 84 84 LYS N N 84 121.116 117.919 3.197 1
1 996 . 8 1 1 A 85 85 PRO HA H 85 4.663 4.882 -0.219 1
1 1003 . 8 1 1 A 85 85 PRO C C 85 174.722 176.264 -1.542 1
1 1004 . 8 1 1 A 85 85 PRO CA C 85 62.633 62.779 -0.146 1
1 1005 . 8 1 1 A 85 85 PRO CB C 85 32.712 31.712 1.000 1
1 1008 . 8 1 1 A 86 86 ASN H H 86 8.983 8.962 0.021 1
1 1009 . 8 1 1 A 86 86 ASN HA H 86 4.704 4.900 -0.196 1
1 1014 . 8 1 1 A 86 86 ASN C C 86 176.576 175.002 1.574 1
1 1015 . 8 1 1 A 86 86 ASN CA C 86 53.552 54.788 -1.236 1
1 1016 . 8 1 1 A 86 86 ASN CB C 86 39.208 41.041 -1.833 1
1 1017 . 8 1 1 A 86 86 ASN N N 86 119.549 121.613 -2.064 1
1 1019 . 8 1 1 A 87 87 ALA H H 87 8.122 7.641 0.481 1
1 1020 . 8 1 1 A 87 87 ALA HA H 87 4.369 4.023 0.346 1
1 1024 . 8 1 1 A 87 87 ALA C C 87 174.154 177.142 -2.988 1
1 1025 . 8 1 1 A 87 87 ALA CA C 87 52.560 52.284 0.276 1
1 1026 . 8 1 1 A 87 87 ALA CB C 87 19.660 19.465 0.195 1
1 1027 . 8 1 1 A 87 87 ALA N N 87 122.483 120.898 1.585 1
1 1028 . 8 1 1 A 88 88 LEU H H 88 8.195 8.132 0.063 1
1 1029 . 8 1 1 A 88 88 LEU HA H 88 4.192 4.376 -0.184 1
1 1039 . 8 1 1 A 88 88 LEU C C 88 174.871 177.506 -2.635 1
1 1040 . 8 1 1 A 88 88 LEU CA C 88 55.691 55.361 0.330 1
1 1041 . 8 1 1 A 88 88 LEU CB C 88 41.708 42.905 -1.197 1
1 1045 . 8 1 1 A 88 88 LEU N N 88 118.730 116.948 1.782 1
1 1046 . 8 1 1 A 89 89 ASP H H 89 7.902 8.190 -0.288 1
1 1047 . 8 1 1 A 89 89 ASP HA H 89 4.601 4.405 0.196 1
1 1050 . 8 1 1 A 89 89 ASP C C 89 175.940 176.760 -0.820 1
1 1051 . 8 1 1 A 89 89 ASP CA C 89 53.641 56.836 -3.195 1
1 1052 . 8 1 1 A 89 89 ASP CB C 89 40.953 40.930 0.023 1
1 1053 . 8 1 1 A 89 89 ASP N N 89 118.577 120.601 -2.024 1
1 1054 . 8 1 1 A 90 90 TYR H H 90 7.922 7.345 0.577 1
1 1055 . 8 1 1 A 90 90 TYR HA H 90 4.551 4.662 -0.111 1
1 1062 . 8 1 1 A 90 90 TYR C C 90 175.338 176.465 -1.127 1
1 1063 . 8 1 1 A 90 90 TYR CA C 90 57.505 57.477 0.028 1
1 1064 . 8 1 1 A 90 90 TYR CB C 90 38.147 39.111 -0.964 1
1 1067 . 8 1 1 A 90 90 TYR N N 90 121.632 113.742 7.890 1
1 1068 . 8 1 1 A 91 91 GLY H H 91 8.313 8.074 0.239 1
1 1069 . 8 1 1 A 91 91 GLY HA2 H 91 3.966 3.771 0.195 1
1 1070 . 8 1 1 A 91 91 GLY HA3 H 91 3.784 3.862 -0.078 1
1 1071 . 8 1 1 A 91 91 GLY C C 91 178.622 174.196 4.426 1
1 1072 . 8 1 1 A 91 91 GLY CA C 91 45.916 45.309 0.607 1
1 1073 . 8 1 1 A 91 91 GLY N N 91 108.097 109.321 -1.224 1
1 1074 . 8 1 1 A 92 92 VAL H H 92 7.078 7.540 -0.462 1
1 1075 . 8 1 1 A 92 92 VAL HA H 92 4.810 4.210 0.600 1
1 1083 . 8 1 1 A 92 92 VAL C C 92 176.954 175.725 1.229 1
1 1084 . 8 1 1 A 92 92 VAL CA C 92 59.083 61.633 -2.550 1
1 1085 . 8 1 1 A 92 92 VAL CB C 92 35.602 33.079 2.523 1
1 1088 . 8 1 1 A 92 92 VAL N N 92 113.901 117.423 -3.522 1
1 1089 . 8 1 1 A 93 93 CYS H H 93 9.086 8.667 0.419 1
1 1090 . 8 1 1 A 93 93 CYS HA H 93 4.118 4.827 -0.709 1
1 1093 . 8 1 1 A 93 93 CYS C C 93 173.477 175.925 -2.448 1
1 1094 . 8 1 1 A 93 93 CYS CA C 93 60.511 59.885 0.626 1
1 1095 . 8 1 1 A 93 93 CYS CB C 93 31.124 28.750 2.374 1
1 1096 . 8 1 1 A 93 93 CYS N N 93 126.248 122.831 3.417 1
1 1097 . 8 1 1 A 94 94 GLU H H 94 5.667 9.045 -3.378 1
1 1098 . 8 1 1 A 94 94 GLU HA H 94 4.073 3.953 0.120 1
1 1103 . 8 1 1 A 94 94 GLU C C 94 176.973 178.341 -1.368 1
1 1104 . 8 1 1 A 94 94 GLU CA C 94 57.434 59.676 -2.242 1
1 1105 . 8 1 1 A 94 94 GLU CB C 94 28.813 29.283 -0.470 1
1 1107 . 8 1 1 A 94 94 GLU N N 94 126.541 127.219 -0.678 1
1 1108 . 8 1 1 A 95 95 LYS H H 95 9.002 7.118 1.884 1
1 1109 . 8 1 1 A 95 95 LYS HA H 95 4.076 4.112 -0.036 1
1 1118 . 8 1 1 A 95 95 LYS C C 95 174.890 176.513 -1.623 1
1 1119 . 8 1 1 A 95 95 LYS CA C 95 57.782 58.403 -0.621 1
1 1120 . 8 1 1 A 95 95 LYS CB C 95 34.056 33.134 0.922 1
1 1124 . 8 1 1 A 95 95 LYS N N 95 123.753 118.417 5.336 1
1 1125 . 8 1 1 A 96 96 CYS H H 96 9.063 7.617 1.446 1
1 1126 . 8 1 1 A 96 96 CYS HA H 96 4.755 4.611 0.144 1
1 1129 . 8 1 1 A 96 96 CYS C C 96 174.775 173.755 1.020 1
1 1130 . 8 1 1 A 96 96 CYS CA C 96 58.756 57.522 1.234 1
1 1131 . 8 1 1 A 96 96 CYS CB C 96 32.066 30.349 1.717 1
1 1132 . 8 1 1 A 96 96 CYS N N 96 120.699 115.222 5.477 1
1 1133 . 8 1 1 A 97 97 HIS H H 97 7.541 8.550 -1.009 1
1 1134 . 8 1 1 A 97 97 HIS HA H 97 4.474 4.705 -0.231 1
1 1139 . 8 1 1 A 97 97 HIS C C 97 178.193 174.210 3.983 1
1 1140 . 8 1 1 A 97 97 HIS CA C 97 57.481 54.558 2.923 1
1 1141 . 8 1 1 A 97 97 HIS CB C 97 27.126 27.337 -0.211 1
1 1144 . 8 1 1 A 97 97 HIS N N 97 116.676 124.315 -7.639 1
1 1147 . 8 1 1 A 98 98 SER H H 98 8.775 7.866 0.909 1
1 1148 . 8 1 1 A 98 98 SER HA H 98 4.322 4.967 -0.645 1
1 1151 . 8 1 1 A 98 98 SER C C 98 176.432 173.846 2.586 1
1 1152 . 8 1 1 A 98 98 SER CA C 98 58.923 57.383 1.540 1
1 1153 . 8 1 1 A 98 98 SER CB C 98 64.790 66.863 -2.073 1
1 1154 . 8 1 1 A 98 98 SER N N 98 116.989 116.345 0.644 1
1 1155 . 8 1 1 A 99 99 LYS H H 99 8.567 8.943 -0.376 1
1 1156 . 8 1 1 A 99 99 LYS HA H 99 4.935 4.536 0.399 1
1 1165 . 8 1 1 A 99 99 LYS C C 99 173.648 177.348 -3.700 1
1 1166 . 8 1 1 A 99 99 LYS CA C 99 56.417 56.648 -0.231 1
1 1167 . 8 1 1 A 99 99 LYS CB C 99 32.366 32.026 0.340 1
1 1171 . 8 1 1 A 99 99 LYS N N 99 122.510 124.942 -2.432 1
1 1172 . 8 1 1 A 100 100 ASN H H 100 9.426 8.250 1.176 1
1 1173 . 8 1 1 A 100 100 ASN HA H 100 4.916 4.578 0.338 1
1 1178 . 8 1 1 A 100 100 ASN C C 100 178.498 175.508 2.990 1
1 1179 . 8 1 1 A 100 100 ASN CA C 100 51.999 53.933 -1.934 1
1 1180 . 8 1 1 A 100 100 ASN CB C 100 36.539 37.663 -1.124 1
1 1181 . 8 1 1 A 100 100 ASN N N 100 124.489 117.483 7.006 1
1 1183 . 8 1 1 A 101 101 VAL H H 101 7.627 7.460 0.167 1
1 1184 . 8 1 1 A 101 101 VAL HA H 101 5.329 4.105 1.224 1
1 1192 . 8 1 1 A 101 101 VAL C C 101 175.484 175.771 -0.287 1
1 1193 . 8 1 1 A 101 101 VAL CA C 101 58.253 62.056 -3.803 1
1 1194 . 8 1 1 A 101 101 VAL CB C 101 34.692 32.479 2.213 1
1 1197 . 8 1 1 A 101 101 VAL N N 101 112.585 119.256 -6.671 1
1 1198 . 8 1 1 A 102 102 ILE H H 102 9.032 8.785 0.247 1
1 1199 . 8 1 1 A 102 102 ILE HA H 102 4.671 4.809 -0.138 1
1 1209 . 8 1 1 A 102 102 ILE C C 102 177.283 174.469 2.814 1
1 1210 . 8 1 1 A 102 102 ILE CA C 102 58.979 58.573 0.406 1
1 1211 . 8 1 1 A 102 102 ILE CB C 102 41.970 42.021 -0.051 1
1 1215 . 8 1 1 A 102 102 ILE N N 102 119.819 118.735 1.084 1
1 1216 . 8 1 1 A 103 103 ILE H H 103 8.364 8.891 -0.527 1
1 1217 . 8 1 1 A 103 103 ILE HA H 103 4.527 4.277 0.250 1
1 1227 . 8 1 1 A 103 103 ILE C C 103 174.186 176.455 -2.269 1
1 1228 . 8 1 1 A 103 103 ILE CA C 103 61.366 61.313 0.053 1
1 1229 . 8 1 1 A 103 103 ILE CB C 103 38.577 36.909 1.668 1
1 1233 . 8 1 1 A 103 103 ILE N N 103 123.325 124.870 -1.545 1
1 1234 . 8 1 1 A 104 104 THR H H 104 8.796 8.742 0.054 1
1 1235 . 8 1 1 A 104 104 THR HA H 104 4.260 4.338 -0.078 1
1 1240 . 8 1 1 A 104 104 THR C C 104 176.317 173.917 2.400 1
1 1241 . 8 1 1 A 104 104 THR CA C 104 62.708 63.479 -0.771 1
1 1242 . 8 1 1 A 104 104 THR CB C 104 68.431 69.804 -1.373 1
1 1244 . 8 1 1 A 104 104 THR N N 104 120.825 123.573 -2.748 1
1 1245 . 8 1 1 A 105 105 GLN H H 105 7.705 7.723 -0.018 1
1 1246 . 8 1 1 A 105 105 GLN HA H 105 4.482 4.600 -0.118 1
1 1253 . 8 1 1 A 105 105 GLN C C 105 177.316 175.231 2.085 1
1 1254 . 8 1 1 A 105 105 GLN CA C 105 55.621 55.549 0.072 1
1 1255 . 8 1 1 A 105 105 GLN CB C 105 31.897 31.598 0.299 1
1 1257 . 8 1 1 A 105 105 GLN N N 105 118.599 120.081 -1.482 1
1 1259 . 8 1 1 A 106 106 GLY H H 106 9.091 8.836 0.255 1
1 1260 . 8 1 1 A 106 106 GLY HA2 H 106 3.472 3.974 -0.502 1
1 1261 . 8 1 1 A 106 106 GLY HA3 H 106 4.255 3.975 0.280 1
1 1262 . 8 1 1 A 106 106 GLY C C 106 178.226 175.245 2.981 1
1 1263 . 8 1 1 A 106 106 GLY CA C 106 45.497 45.882 -0.385 1
1 1264 . 8 1 1 A 106 106 GLY N N 106 106.938 114.536 -7.598 1
1 1265 . 8 1 1 A 107 107 ASN H H 107 8.542 7.964 0.578 1
1 1266 . 8 1 1 A 107 107 ASN HA H 107 4.670 4.375 0.295 1
1 1271 . 8 1 1 A 107 107 ASN C C 107 176.917 174.884 2.033 1
1 1272 . 8 1 1 A 107 107 ASN CA C 107 52.697 55.643 -2.946 1
1 1273 . 8 1 1 A 107 107 ASN CB C 107 39.745 39.569 0.176 1
1 1274 . 8 1 1 A 107 107 ASN N N 107 117.838 120.044 -2.206 1
1 1276 . 8 1 1 A 108 108 GLU H H 108 8.050 7.759 0.291 1
1 1277 . 8 1 1 A 108 108 GLU HA H 108 4.638 4.718 -0.080 1
1 1282 . 8 1 1 A 108 108 GLU C C 108 176.463 175.800 0.663 1
1 1283 . 8 1 1 A 108 108 GLU CA C 108 55.693 54.632 1.061 1
1 1284 . 8 1 1 A 108 108 GLU CB C 108 32.643 34.653 -2.010 1
1 1286 . 8 1 1 A 108 108 GLU N N 108 118.542 115.068 3.474 1
1 1287 . 8 1 1 A 109 109 MET H H 109 8.431 8.513 -0.082 1
1 1288 . 8 1 1 A 109 109 MET HA H 109 5.236 4.804 0.432 1
1 1296 . 8 1 1 A 109 109 MET C C 109 176.443 175.586 0.857 1
1 1297 . 8 1 1 A 109 109 MET CA C 109 54.801 54.840 -0.039 1
1 1298 . 8 1 1 A 109 109 MET CB C 109 33.115 33.626 -0.511 1
1 1301 . 8 1 1 A 109 109 MET N N 109 121.401 120.422 0.979 1
1 1302 . 8 1 1 A 110 110 ARG H H 110 9.166 8.971 0.195 1
1 1303 . 8 1 1 A 110 110 ARG HA H 110 4.771 4.926 -0.155 1
1 1311 . 8 1 1 A 110 110 ARG C C 110 177.215 175.684 1.531 1
1 1312 . 8 1 1 A 110 110 ARG CA C 110 54.826 54.076 0.750 1
1 1313 . 8 1 1 A 110 110 ARG CB C 110 33.474 34.244 -0.770 1
1 1316 . 8 1 1 A 110 110 ARG N N 110 123.271 119.611 3.660 1
1 1318 . 8 1 1 A 111 111 LEU H H 111 8.874 8.767 0.107 1
1 1319 . 8 1 1 A 111 111 LEU HA H 111 4.335 4.358 -0.023 1
1 1329 . 8 1 1 A 111 111 LEU C C 111 175.976 176.523 -0.547 1
1 1330 . 8 1 1 A 111 111 LEU CA C 111 55.633 55.315 0.318 1
1 1331 . 8 1 1 A 111 111 LEU CB C 111 42.413 41.902 0.511 1
1 1335 . 8 1 1 A 111 111 LEU N N 111 125.212 122.837 2.375 1
1 1336 . 8 1 1 A 112 112 LEU HA H 112 4.432 4.386 0.046 1
1 1346 . 8 1 1 A 112 112 LEU C C 112 173.898 176.464 -2.566 1
1 1347 . 8 1 1 A 112 112 LEU CA C 112 56.230 55.984 0.246 1
1 1348 . 8 1 1 A 112 112 LEU CB C 112 42.688 43.026 -0.338 1
1 1352 . 8 1 1 A 113 113 SER H H 113 7.895 7.120 0.775 1
1 1353 . 8 1 1 A 113 113 SER HA H 113 4.509 4.623 -0.114 1
1 1356 . 8 1 1 A 113 113 SER C C 113 180.240 172.034 8.206 1
1 1357 . 8 1 1 A 113 113 SER CA C 113 58.129 56.913 1.216 1
1 1358 . 8 1 1 A 113 113 SER CB C 113 64.473 64.644 -0.171 1
1 1359 . 8 1 1 A 113 113 SER N N 113 110.894 109.270 1.624 1
1 1360 . 8 1 1 A 114 114 LEU H H 114 8.151 8.416 -0.265 1
1 1361 . 8 1 1 A 114 114 LEU HA H 114 5.086 5.167 -0.081 1
1 1371 . 8 1 1 A 114 114 LEU C C 114 175.777 175.634 0.143 1
1 1372 . 8 1 1 A 114 114 LEU CA C 114 53.830 53.555 0.275 1
1 1373 . 8 1 1 A 114 114 LEU CB C 114 46.471 46.005 0.466 1
1 1377 . 8 1 1 A 114 114 LEU N N 114 120.671 122.484 -1.813 1
1 1378 . 8 1 1 A 115 115 GLU H H 115 8.666 8.907 -0.241 1
1 1379 . 8 1 1 A 115 115 GLU HA H 115 4.823 5.304 -0.481 1
1 1384 . 8 1 1 A 115 115 GLU C C 115 175.727 175.071 0.656 1
1 1385 . 8 1 1 A 115 115 GLU CA C 115 55.127 54.329 0.798 1
1 1386 . 8 1 1 A 115 115 GLU CB C 115 31.063 33.328 -2.265 1
1 1388 . 8 1 1 A 115 115 GLU N N 115 122.105 119.587 2.518 1
1 1389 . 8 1 1 A 116 116 MET H H 116 9.159 8.970 0.189 1
1 1390 . 8 1 1 A 116 116 MET HA H 116 4.989 5.222 -0.233 1
1 1398 . 8 1 1 A 116 116 MET C C 116 177.447 175.790 1.657 1
1 1399 . 8 1 1 A 116 116 MET CA C 116 54.669 54.355 0.314 1
1 1400 . 8 1 1 A 116 116 MET CB C 116 36.107 35.927 0.180 1
1 1403 . 8 1 1 A 116 116 MET N N 116 123.947 122.764 1.183 1
1 1404 . 8 1 1 A 117 117 LEU H H 117 8.573 8.586 -0.013 1
1 1405 . 8 1 1 A 117 117 LEU HA H 117 4.670 4.233 0.437 1
1 1412 . 8 1 1 A 117 117 LEU C C 117 175.990 177.630 -1.640 1
1 1413 . 8 1 1 A 117 117 LEU CA C 117 54.549 54.938 -0.389 1
1 1414 . 8 1 1 A 117 117 LEU CB C 117 44.045 42.933 1.112 1
1 1417 . 8 1 1 A 117 117 LEU N N 117 122.478 124.329 -1.851 1
1 1418 . 8 1 1 A 118 118 ALA H H 118 8.714 8.705 0.009 1
1 1419 . 8 1 1 A 118 118 ALA HA H 118 4.604 3.972 0.632 1
1 1423 . 8 1 1 A 118 118 ALA C C 118 175.279 177.607 -2.328 1
1 1424 . 8 1 1 A 118 118 ALA CA C 118 52.155 54.269 -2.114 1
1 1425 . 8 1 1 A 118 118 ALA CB C 118 20.444 17.617 2.827 1
1 1426 . 8 1 1 A 118 118 ALA N N 118 127.701 121.339 6.362 1
1 4 . 9 1 1 A 2 2 SER HA H 2 4.544 4.711 -0.167 1
1 7 . 9 1 1 A 2 2 SER CA C 2 58.424 57.019 1.405 1
1 8 . 9 1 1 A 2 2 SER CB C 2 64.017 64.059 -0.042 1
1 13 . 9 1 1 A 4 4 HIS HA H 4 4.504 4.284 0.220 1
1 17 . 9 1 1 A 4 4 HIS C C 4 175.043 177.597 -2.554 1
1 18 . 9 1 1 A 4 4 HIS CA C 4 58.574 58.829 -0.255 1
1 19 . 9 1 1 A 4 4 HIS CB C 4 30.859 29.738 1.121 1
1 20 . 9 1 1 A 5 5 GLU H H 5 10.002 8.156 1.846 1
1 21 . 9 1 1 A 5 5 GLU HA H 5 3.831 3.849 -0.018 1
1 26 . 9 1 1 A 5 5 GLU C C 5 173.758 177.218 -3.460 1
1 27 . 9 1 1 A 5 5 GLU CA C 5 61.822 59.267 2.555 1
1 28 . 9 1 1 A 5 5 GLU CB C 5 28.884 29.323 -0.439 1
1 30 . 9 1 1 A 5 5 GLU N N 5 120.850 119.145 1.705 1
1 31 . 9 1 1 A 6 6 TYR H H 6 8.163 7.773 0.390 1
1 32 . 9 1 1 A 6 6 TYR HA H 6 4.066 4.907 -0.841 1
1 39 . 9 1 1 A 6 6 TYR C C 6 173.754 176.707 -2.953 1
1 40 . 9 1 1 A 6 6 TYR CA C 6 61.029 58.190 2.839 1
1 41 . 9 1 1 A 6 6 TYR CB C 6 37.391 39.999 -2.608 1
1 44 . 9 1 1 A 6 6 TYR N N 6 117.171 115.919 1.252 1
1 45 . 9 1 1 A 7 7 SER H H 7 7.929 8.297 -0.368 1
1 46 . 9 1 1 A 7 7 SER HA H 7 4.265 4.162 0.103 1
1 49 . 9 1 1 A 7 7 SER C C 7 174.434 177.520 -3.086 1
1 50 . 9 1 1 A 7 7 SER CA C 7 61.471 61.961 -0.490 1
1 51 . 9 1 1 A 7 7 SER CB C 7 62.686 63.185 -0.499 1
1 52 . 9 1 1 A 7 7 SER N N 7 116.417 116.425 -0.008 1
1 53 . 9 1 1 A 8 8 VAL H H 8 8.088 7.953 0.135 1
1 54 . 9 1 1 A 8 8 VAL HA H 8 3.795 3.816 -0.021 1
1 62 . 9 1 1 A 8 8 VAL C C 8 172.652 178.224 -5.572 1
1 63 . 9 1 1 A 8 8 VAL CA C 8 66.036 65.613 0.423 1
1 64 . 9 1 1 A 8 8 VAL CB C 8 31.811 31.368 0.443 1
1 67 . 9 1 1 A 8 8 VAL N N 8 122.514 119.995 2.519 1
1 68 . 9 1 1 A 9 9 VAL H H 9 8.255 8.484 -0.229 1
1 69 . 9 1 1 A 9 9 VAL HA H 9 3.539 3.757 -0.218 1
1 77 . 9 1 1 A 9 9 VAL C C 9 174.142 178.192 -4.050 1
1 78 . 9 1 1 A 9 9 VAL CA C 9 67.201 67.237 -0.036 1
1 79 . 9 1 1 A 9 9 VAL CB C 9 30.859 31.832 -0.973 1
1 82 . 9 1 1 A 9 9 VAL N N 9 120.829 122.348 -1.519 1
1 83 . 9 1 1 A 10 10 SER H H 10 8.179 8.516 -0.337 1
1 84 . 9 1 1 A 10 10 SER HA H 10 3.726 4.159 -0.433 1
1 87 . 9 1 1 A 10 10 SER C C 10 173.669 177.432 -3.763 1
1 88 . 9 1 1 A 10 10 SER CA C 10 62.397 61.730 0.667 1
1 89 . 9 1 1 A 10 10 SER CB C 10 62.470 62.972 -0.502 1
1 90 . 9 1 1 A 10 10 SER N N 10 115.937 115.667 0.270 1
1 91 . 9 1 1 A 11 11 SER H H 11 7.860 8.304 -0.444 1
1 92 . 9 1 1 A 11 11 SER HA H 11 4.312 4.199 0.113 1
1 95 . 9 1 1 A 11 11 SER C C 11 174.888 177.498 -2.610 1
1 96 . 9 1 1 A 11 11 SER CA C 11 61.863 61.697 0.166 1
1 97 . 9 1 1 A 11 11 SER CB C 11 62.638 63.236 -0.598 1
1 98 . 9 1 1 A 11 11 SER N N 11 117.940 115.697 2.243 1
1 99 . 9 1 1 A 12 12 LEU H H 12 8.197 8.207 -0.010 1
1 100 . 9 1 1 A 12 12 LEU HA H 12 4.331 4.171 0.160 1
1 110 . 9 1 1 A 12 12 LEU C C 12 172.791 178.798 -6.007 1
1 111 . 9 1 1 A 12 12 LEU CA C 12 58.035 58.591 -0.556 1
1 112 . 9 1 1 A 12 12 LEU CB C 12 42.062 41.683 0.379 1
1 116 . 9 1 1 A 12 12 LEU N N 12 125.411 122.106 3.305 1
1 117 . 9 1 1 A 13 13 ILE H H 13 8.689 8.196 0.493 1
1 118 . 9 1 1 A 13 13 ILE HA H 13 3.654 3.729 -0.075 1
1 128 . 9 1 1 A 13 13 ILE C C 13 173.945 177.866 -3.921 1
1 129 . 9 1 1 A 13 13 ILE CA C 13 65.287 66.080 -0.793 1
1 130 . 9 1 1 A 13 13 ILE CB C 13 36.843 38.325 -1.482 1
1 134 . 9 1 1 A 13 13 ILE N N 13 121.352 120.082 1.270 1
1 135 . 9 1 1 A 14 14 ALA H H 14 7.692 8.491 -0.799 1
1 136 . 9 1 1 A 14 14 ALA HA H 14 4.218 4.137 0.081 1
1 140 . 9 1 1 A 14 14 ALA C C 14 170.805 179.759 -8.954 1
1 141 . 9 1 1 A 14 14 ALA CA C 14 55.484 55.314 0.170 1
1 142 . 9 1 1 A 14 14 ALA CB C 14 17.698 17.971 -0.273 1
1 143 . 9 1 1 A 14 14 ALA N N 14 121.374 122.881 -1.507 1
1 144 . 9 1 1 A 15 15 LEU H H 15 8.040 8.378 -0.338 1
1 145 . 9 1 1 A 15 15 LEU HA H 15 4.253 3.710 0.543 1
1 152 . 9 1 1 A 15 15 LEU C C 15 171.818 179.058 -7.240 1
1 153 . 9 1 1 A 15 15 LEU CA C 15 58.208 58.065 0.143 1
1 154 . 9 1 1 A 15 15 LEU CB C 15 42.286 41.877 0.409 1
1 157 . 9 1 1 A 15 15 LEU N N 15 121.328 118.187 3.141 1
1 158 . 9 1 1 A 16 16 CYS H H 16 8.587 8.500 0.087 1
1 159 . 9 1 1 A 16 16 CYS HA H 16 3.954 4.158 -0.204 1
1 162 . 9 1 1 A 16 16 CYS C C 16 174.494 177.137 -2.643 1
1 163 . 9 1 1 A 16 16 CYS CA C 16 64.933 63.572 1.361 1
1 164 . 9 1 1 A 16 16 CYS CB C 16 26.960 26.713 0.247 1
1 165 . 9 1 1 A 16 16 CYS N N 16 118.908 116.554 2.354 1
1 166 . 9 1 1 A 17 17 GLU H H 17 8.576 8.385 0.191 1
1 167 . 9 1 1 A 17 17 GLU HA H 17 3.806 3.985 -0.179 1
1 172 . 9 1 1 A 17 17 GLU C C 17 172.225 178.707 -6.482 1
1 173 . 9 1 1 A 17 17 GLU CA C 17 60.306 59.889 0.417 1
1 174 . 9 1 1 A 17 17 GLU CB C 17 29.130 29.040 0.090 1
1 176 . 9 1 1 A 17 17 GLU N N 17 118.419 121.440 -3.021 1
1 177 . 9 1 1 A 18 18 GLU H H 18 8.156 8.248 -0.092 1
1 178 . 9 1 1 A 18 18 GLU HA H 18 4.115 3.996 0.119 1
1 183 . 9 1 1 A 18 18 GLU C C 18 172.241 179.280 -7.039 1
1 184 . 9 1 1 A 18 18 GLU CA C 18 59.507 59.444 0.063 1
1 185 . 9 1 1 A 18 18 GLU CB C 18 29.335 29.403 -0.068 1
1 187 . 9 1 1 A 18 18 GLU N N 18 121.603 119.248 2.355 1
1 188 . 9 1 1 A 19 19 HIS H H 19 8.379 8.049 0.330 1
1 189 . 9 1 1 A 19 19 HIS HA H 19 4.174 4.400 -0.226 1
1 194 . 9 1 1 A 19 19 HIS C C 19 172.511 177.803 -5.292 1
1 195 . 9 1 1 A 19 19 HIS CA C 19 60.525 59.594 0.931 1
1 196 . 9 1 1 A 19 19 HIS CB C 19 31.354 29.833 1.521 1
1 198 . 9 1 1 A 19 19 HIS N N 19 119.634 119.030 0.604 1
1 201 . 9 1 1 A 20 20 ALA H H 20 8.568 8.400 0.168 1
1 202 . 9 1 1 A 20 20 ALA HA H 20 4.143 3.873 0.270 1
1 206 . 9 1 1 A 20 20 ALA C C 20 172.155 179.208 -7.053 1
1 207 . 9 1 1 A 20 20 ALA CA C 20 55.716 55.282 0.434 1
1 208 . 9 1 1 A 20 20 ALA CB C 20 17.682 18.180 -0.498 1
1 209 . 9 1 1 A 20 20 ALA N N 20 122.453 122.526 -0.073 1
1 210 . 9 1 1 A 21 21 LYS H H 21 8.055 8.003 0.052 1
1 211 . 9 1 1 A 21 21 LYS HA H 21 4.128 3.770 0.358 1
1 220 . 9 1 1 A 21 21 LYS C C 21 170.753 178.664 -7.911 1
1 221 . 9 1 1 A 21 21 LYS CA C 21 59.469 59.129 0.340 1
1 222 . 9 1 1 A 21 21 LYS CB C 21 32.369 31.916 0.453 1
1 226 . 9 1 1 A 21 21 LYS N N 21 118.604 116.266 2.338 1
1 227 . 9 1 1 A 22 22 LYS H H 22 8.092 7.565 0.527 1
1 228 . 9 1 1 A 22 22 LYS HA H 22 4.100 4.074 0.026 1
1 237 . 9 1 1 A 22 22 LYS C C 22 174.300 178.099 -3.799 1
1 238 . 9 1 1 A 22 22 LYS CA C 22 58.920 59.267 -0.347 1
1 239 . 9 1 1 A 22 22 LYS CB C 22 32.406 32.301 0.105 1
1 243 . 9 1 1 A 22 22 LYS N N 22 119.468 119.632 -0.164 1
1 244 . 9 1 1 A 23 23 ASN H H 23 7.461 7.864 -0.403 1
1 245 . 9 1 1 A 23 23 ASN HA H 23 4.710 4.782 -0.072 1
1 248 . 9 1 1 A 23 23 ASN C C 23 178.526 174.771 3.755 1
1 249 . 9 1 1 A 23 23 ASN CA C 23 53.514 53.316 0.198 1
1 250 . 9 1 1 A 23 23 ASN CB C 23 40.124 38.973 1.151 1
1 251 . 9 1 1 A 23 23 ASN N N 23 115.166 116.952 -1.786 1
1 252 . 9 1 1 A 24 24 GLN H H 24 7.879 7.864 0.015 1
1 253 . 9 1 1 A 24 24 GLN HA H 24 3.927 3.684 0.243 1
1 260 . 9 1 1 A 24 24 GLN C C 24 177.284 175.479 1.805 1
1 261 . 9 1 1 A 24 24 GLN CA C 24 57.083 56.744 0.339 1
1 262 . 9 1 1 A 24 24 GLN CB C 24 26.400 25.877 0.523 1
1 264 . 9 1 1 A 24 24 GLN N N 24 116.046 116.382 -0.336 1
1 266 . 9 1 1 A 25 25 ALA H H 25 8.491 8.150 0.341 1
1 267 . 9 1 1 A 25 25 ALA HA H 25 4.600 4.201 0.399 1
1 271 . 9 1 1 A 25 25 ALA C C 25 174.729 177.988 -3.259 1
1 272 . 9 1 1 A 25 25 ALA CA C 25 51.416 54.308 -2.892 1
1 273 . 9 1 1 A 25 25 ALA CB C 25 21.350 19.458 1.892 1
1 274 . 9 1 1 A 25 25 ALA N N 25 120.372 120.551 -0.179 1
1 275 . 9 1 1 A 26 26 HIS H H 26 8.476 7.438 1.038 1
1 276 . 9 1 1 A 26 26 HIS HA H 26 4.736 4.186 0.550 1
1 280 . 9 1 1 A 26 26 HIS C C 26 176.751 173.941 2.810 1
1 281 . 9 1 1 A 26 26 HIS CA C 26 56.211 57.309 -1.098 1
1 282 . 9 1 1 A 26 26 HIS CB C 26 31.838 27.141 4.697 1
1 284 . 9 1 1 A 26 26 HIS N N 26 117.648 112.521 5.127 1
1 285 . 9 1 1 A 27 27 LYS H H 27 7.540 7.618 -0.078 1
1 286 . 9 1 1 A 27 27 LYS HA H 27 4.766 4.943 -0.177 1
1 295 . 9 1 1 A 27 27 LYS C C 27 176.918 174.813 2.105 1
1 296 . 9 1 1 A 27 27 LYS CA C 27 55.877 54.907 0.970 1
1 297 . 9 1 1 A 27 27 LYS CB C 27 36.796 36.888 -0.092 1
1 301 . 9 1 1 A 27 27 LYS N N 27 116.451 117.917 -1.466 1
1 302 . 9 1 1 A 28 28 ILE H H 28 8.320 8.852 -0.532 1
1 303 . 9 1 1 A 28 28 ILE HA H 28 4.319 4.984 -0.665 1
1 310 . 9 1 1 A 28 28 ILE C C 28 176.921 175.924 0.997 1
1 311 . 9 1 1 A 28 28 ILE CA C 28 60.552 59.549 1.003 1
1 312 . 9 1 1 A 28 28 ILE CB C 28 38.843 41.206 -2.363 1
1 313 . 9 1 1 A 28 28 ILE N N 28 123.140 122.195 0.945 1
1 314 . 9 1 1 A 29 29 GLU H H 29 9.001 9.432 -0.431 1
1 315 . 9 1 1 A 29 29 GLU HA H 29 4.446 4.290 0.156 1
1 320 . 9 1 1 A 29 29 GLU C C 29 174.406 175.468 -1.062 1
1 321 . 9 1 1 A 29 29 GLU CA C 29 57.363 58.347 -0.984 1
1 322 . 9 1 1 A 29 29 GLU CB C 29 31.761 30.481 1.280 1
1 324 . 9 1 1 A 29 29 GLU N N 29 125.872 127.153 -1.281 1
1 325 . 9 1 1 A 30 30 ARG H H 30 7.654 7.254 0.400 1
1 326 . 9 1 1 A 30 30 ARG HA H 30 5.282 5.071 0.211 1
1 334 . 9 1 1 A 30 30 ARG C C 30 178.750 173.884 4.866 1
1 335 . 9 1 1 A 30 30 ARG CA C 30 55.558 54.557 1.001 1
1 336 . 9 1 1 A 30 30 ARG CB C 30 34.774 35.222 -0.448 1
1 338 . 9 1 1 A 30 30 ARG N N 30 119.436 117.226 2.210 1
1 340 . 9 1 1 A 31 31 VAL H H 31 9.234 8.959 0.275 1
1 341 . 9 1 1 A 31 31 VAL HA H 31 4.397 5.008 -0.611 1
1 349 . 9 1 1 A 31 31 VAL C C 31 178.662 173.466 5.196 1
1 350 . 9 1 1 A 31 31 VAL CA C 31 60.882 59.587 1.295 1
1 351 . 9 1 1 A 31 31 VAL CB C 31 34.494 35.361 -0.867 1
1 354 . 9 1 1 A 31 31 VAL N N 31 127.428 120.918 6.510 1
1 355 . 9 1 1 A 32 32 VAL H H 32 8.626 9.070 -0.444 1
1 356 . 9 1 1 A 32 32 VAL HA H 32 5.039 5.038 0.001 1
1 364 . 9 1 1 A 32 32 VAL C C 32 175.519 175.069 0.450 1
1 365 . 9 1 1 A 32 32 VAL CA C 32 60.917 60.718 0.199 1
1 366 . 9 1 1 A 32 32 VAL CB C 32 31.892 33.943 -2.051 1
1 368 . 9 1 1 A 32 32 VAL N N 32 126.581 127.715 -1.134 1
1 369 . 9 1 1 A 33 33 VAL H H 33 8.802 9.366 -0.564 1
1 370 . 9 1 1 A 33 33 VAL HA H 33 4.917 4.566 0.351 1
1 378 . 9 1 1 A 33 33 VAL C C 33 178.038 174.935 3.103 1
1 379 . 9 1 1 A 33 33 VAL CA C 33 58.975 60.772 -1.797 1
1 380 . 9 1 1 A 33 33 VAL CB C 33 35.109 35.409 -0.300 1
1 383 . 9 1 1 A 33 33 VAL N N 33 122.994 127.314 -4.320 1
1 384 . 9 1 1 A 34 34 GLY H H 34 9.535 9.283 0.252 1
1 385 . 9 1 1 A 34 34 GLY HA2 H 34 5.187 4.079 1.108 1
1 386 . 9 1 1 A 34 34 GLY HA3 H 34 3.404 4.085 -0.681 1
1 387 . 9 1 1 A 34 34 GLY C C 34 178.060 172.612 5.448 1
1 388 . 9 1 1 A 34 34 GLY CA C 34 44.108 44.870 -0.762 1
1 389 . 9 1 1 A 34 34 GLY N N 34 112.269 114.984 -2.715 1
1 390 . 9 1 1 A 35 35 ILE H H 35 8.761 9.707 -0.946 1
1 391 . 9 1 1 A 35 35 ILE HA H 35 4.340 4.658 -0.318 1
1 401 . 9 1 1 A 35 35 ILE C C 35 174.823 176.131 -1.308 1
1 402 . 9 1 1 A 35 35 ILE CA C 35 60.287 59.693 0.594 1
1 403 . 9 1 1 A 35 35 ILE CB C 35 39.357 40.454 -1.097 1
1 407 . 9 1 1 A 35 35 ILE N N 35 123.848 126.342 -2.494 1
1 408 . 9 1 1 A 36 36 GLY H H 36 8.439 8.564 -0.125 1
1 409 . 9 1 1 A 36 36 GLY HA2 H 36 3.321 4.091 -0.770 1
1 410 . 9 1 1 A 36 36 GLY HA3 H 36 4.444 4.098 0.346 1
1 411 . 9 1 1 A 36 36 GLY C C 36 175.743 174.914 0.829 1
1 412 . 9 1 1 A 36 36 GLY CA C 36 46.389 45.587 0.802 1
1 413 . 9 1 1 A 36 36 GLY N N 36 117.219 113.948 3.271 1
1 414 . 9 1 1 A 37 37 GLU H H 37 8.756 9.092 -0.336 1
1 415 . 9 1 1 A 37 37 GLU HA H 37 4.277 4.100 0.177 1
1 420 . 9 1 1 A 37 37 GLU C C 37 174.413 176.779 -2.366 1
1 421 . 9 1 1 A 37 37 GLU CA C 37 58.568 58.651 -0.083 1
1 422 . 9 1 1 A 37 37 GLU CB C 37 29.809 29.034 0.775 1
1 424 . 9 1 1 A 37 37 GLU N N 37 124.260 120.816 3.444 1
1 425 . 9 1 1 A 38 38 ARG H H 38 8.483 7.806 0.677 1
1 426 . 9 1 1 A 38 38 ARG HA H 38 4.594 4.561 0.033 1
1 434 . 9 1 1 A 38 38 ARG C C 38 175.250 176.579 -1.329 1
1 435 . 9 1 1 A 38 38 ARG CA C 38 54.916 55.425 -0.509 1
1 436 . 9 1 1 A 38 38 ARG CB C 38 29.706 30.723 -1.017 1
1 439 . 9 1 1 A 38 38 ARG N N 38 117.248 119.821 -2.573 1
1 441 . 9 1 1 A 39 39 SER H H 39 7.630 7.861 -0.231 1
1 442 . 9 1 1 A 39 39 SER HA H 39 4.139 4.384 -0.245 1
1 445 . 9 1 1 A 39 39 SER C C 39 176.694 173.878 2.816 1
1 446 . 9 1 1 A 39 39 SER CA C 39 59.524 60.416 -0.892 1
1 447 . 9 1 1 A 39 39 SER CB C 39 64.248 63.121 1.127 1
1 448 . 9 1 1 A 39 39 SER N N 39 115.086 115.282 -0.196 1
1 449 . 9 1 1 A 40 40 ALA H H 40 8.667 7.913 0.754 1
1 450 . 9 1 1 A 40 40 ALA HA H 40 4.267 3.988 0.279 1
1 454 . 9 1 1 A 40 40 ALA C C 40 174.406 176.303 -1.897 1
1 455 . 9 1 1 A 40 40 ALA CA C 40 52.641 53.904 -1.263 1
1 456 . 9 1 1 A 40 40 ALA CB C 40 17.976 18.258 -0.282 1
1 457 . 9 1 1 A 40 40 ALA N N 40 126.133 122.353 3.780 1
1 458 . 9 1 1 A 41 41 MET H H 41 7.793 7.827 -0.034 1
1 459 . 9 1 1 A 41 41 MET HA H 41 4.389 4.471 -0.082 1
1 467 . 9 1 1 A 41 41 MET C C 41 176.689 175.486 1.203 1
1 468 . 9 1 1 A 41 41 MET CA C 41 55.965 55.354 0.611 1
1 469 . 9 1 1 A 41 41 MET CB C 41 34.761 33.452 1.309 1
1 472 . 9 1 1 A 41 41 MET N N 41 117.758 116.346 1.412 1
1 473 . 9 1 1 A 42 42 ASP H H 42 9.667 9.023 0.644 1
1 474 . 9 1 1 A 42 42 ASP HA H 42 4.706 4.648 0.058 1
1 477 . 9 1 1 A 42 42 ASP C C 42 174.559 177.522 -2.963 1
1 478 . 9 1 1 A 42 42 ASP CA C 42 53.363 53.823 -0.460 1
1 479 . 9 1 1 A 42 42 ASP CB C 42 41.740 39.944 1.796 1
1 480 . 9 1 1 A 42 42 ASP N N 42 125.565 122.237 3.328 1
1 481 . 9 1 1 A 43 43 LYS H H 43 8.928 8.100 0.828 1
1 482 . 9 1 1 A 43 43 LYS HA H 43 3.752 4.173 -0.421 1
1 491 . 9 1 1 A 43 43 LYS C C 43 173.737 178.515 -4.778 1
1 492 . 9 1 1 A 43 43 LYS CA C 43 60.966 59.313 1.653 1
1 493 . 9 1 1 A 43 43 LYS CB C 43 32.585 31.994 0.591 1
1 497 . 9 1 1 A 43 43 LYS N N 43 127.256 124.791 2.465 1
1 498 . 9 1 1 A 44 44 SER H H 44 8.327 7.791 0.536 1
1 499 . 9 1 1 A 44 44 SER HA H 44 4.009 4.242 -0.233 1
1 502 . 9 1 1 A 44 44 SER C C 44 174.032 177.539 -3.507 1
1 503 . 9 1 1 A 44 44 SER CA C 44 62.461 61.549 0.912 1
1 504 . 9 1 1 A 44 44 SER CB C 44 62.281 63.170 -0.889 1
1 505 . 9 1 1 A 44 44 SER N N 44 114.797 115.147 -0.350 1
1 506 . 9 1 1 A 45 45 LEU H H 45 7.878 8.089 -0.211 1
1 507 . 9 1 1 A 45 45 LEU HA H 45 4.254 4.091 0.163 1
1 517 . 9 1 1 A 45 45 LEU C C 45 172.915 178.891 -5.976 1
1 518 . 9 1 1 A 45 45 LEU CA C 45 57.128 58.385 -1.257 1
1 519 . 9 1 1 A 45 45 LEU CB C 45 41.738 41.898 -0.160 1
1 523 . 9 1 1 A 45 45 LEU N N 45 124.570 122.085 2.485 1
1 524 . 9 1 1 A 46 46 PHE H H 46 8.343 8.568 -0.225 1
1 525 . 9 1 1 A 46 46 PHE HA H 46 3.882 4.166 -0.284 1
1 532 . 9 1 1 A 46 46 PHE C C 46 175.104 177.010 -1.906 1
1 533 . 9 1 1 A 46 46 PHE CA C 46 61.820 61.650 0.170 1
1 534 . 9 1 1 A 46 46 PHE CB C 46 40.047 39.271 0.776 1
1 537 . 9 1 1 A 46 46 PHE N N 46 121.059 119.410 1.649 1
1 538 . 9 1 1 A 47 47 VAL H H 47 8.370 8.100 0.270 1
1 539 . 9 1 1 A 47 47 VAL HA H 47 3.466 3.398 0.068 1
1 547 . 9 1 1 A 47 47 VAL C C 47 173.353 177.797 -4.444 1
1 548 . 9 1 1 A 47 47 VAL CA C 47 67.220 64.464 2.756 1
1 549 . 9 1 1 A 47 47 VAL CB C 47 31.927 31.188 0.739 1
1 552 . 9 1 1 A 47 47 VAL N N 47 118.023 119.161 -1.138 1
1 553 . 9 1 1 A 48 48 SER H H 48 7.967 8.335 -0.368 1
1 554 . 9 1 1 A 48 48 SER HA H 48 4.268 4.047 0.221 1
1 557 . 9 1 1 A 48 48 SER C C 48 174.187 177.065 -2.878 1
1 558 . 9 1 1 A 48 48 SER CA C 48 61.789 61.420 0.369 1
1 559 . 9 1 1 A 48 48 SER CB C 48 62.761 63.078 -0.317 1
1 560 . 9 1 1 A 48 48 SER N N 48 114.372 116.863 -2.491 1
1 561 . 9 1 1 A 49 49 ALA H H 49 8.489 7.886 0.603 1
1 562 . 9 1 1 A 49 49 ALA HA H 49 3.931 3.663 0.268 1
1 566 . 9 1 1 A 49 49 ALA C C 49 172.626 179.176 -6.550 1
1 567 . 9 1 1 A 49 49 ALA CA C 49 55.067 54.693 0.374 1
1 568 . 9 1 1 A 49 49 ALA CB C 49 17.587 18.355 -0.768 1
1 569 . 9 1 1 A 49 49 ALA N N 49 124.199 122.996 1.203 1
1 570 . 9 1 1 A 50 50 PHE H H 50 8.510 8.403 0.107 1
1 571 . 9 1 1 A 50 50 PHE HA H 50 3.763 3.980 -0.217 1
1 578 . 9 1 1 A 50 50 PHE C C 50 174.923 177.735 -2.812 1
1 579 . 9 1 1 A 50 50 PHE CA C 50 63.098 61.600 1.498 1
1 580 . 9 1 1 A 50 50 PHE CB C 50 39.465 38.881 0.584 1
1 583 . 9 1 1 A 50 50 PHE N N 50 120.967 119.546 1.421 1
1 584 . 9 1 1 A 51 51 GLU H H 51 8.561 8.830 -0.269 1
1 585 . 9 1 1 A 51 51 GLU HA H 51 3.717 3.736 -0.019 1
1 590 . 9 1 1 A 51 51 GLU C C 51 173.002 178.373 -5.371 1
1 591 . 9 1 1 A 51 51 GLU CA C 51 59.750 57.828 1.922 1
1 592 . 9 1 1 A 51 51 GLU CB C 51 29.330 28.229 1.101 1
1 594 . 9 1 1 A 51 51 GLU N N 51 116.915 117.361 -0.446 1
1 595 . 9 1 1 A 52 52 THR H H 52 7.759 7.330 0.429 1
1 596 . 9 1 1 A 52 52 THR HA H 52 4.090 4.023 0.067 1
1 601 . 9 1 1 A 52 52 THR C C 52 174.897 175.823 -0.926 1
1 602 . 9 1 1 A 52 52 THR CA C 52 65.899 65.908 -0.009 1
1 603 . 9 1 1 A 52 52 THR CB C 52 69.172 69.059 0.113 1
1 605 . 9 1 1 A 52 52 THR N N 52 114.348 116.471 -2.123 1
1 606 . 9 1 1 A 53 53 PHE H H 53 8.725 8.041 0.684 1
1 607 . 9 1 1 A 53 53 PHE HA H 53 4.335 4.484 -0.149 1
1 614 . 9 1 1 A 53 53 PHE C C 53 172.389 177.397 -5.008 1
1 615 . 9 1 1 A 53 53 PHE CA C 53 60.011 60.015 -0.004 1
1 616 . 9 1 1 A 53 53 PHE CB C 53 38.244 37.705 0.539 1
1 619 . 9 1 1 A 53 53 PHE N N 53 120.493 117.718 2.775 1
1 620 . 9 1 1 A 54 54 ARG H H 54 8.579 8.051 0.528 1
1 621 . 9 1 1 A 54 54 ARG HA H 54 3.626 3.964 -0.338 1
1 625 . 9 1 1 A 54 54 ARG C C 54 175.195 177.685 -2.490 1
1 626 . 9 1 1 A 54 54 ARG CA C 54 59.252 58.573 0.679 1
1 627 . 9 1 1 A 54 54 ARG CB C 54 26.544 29.355 -2.811 1
1 629 . 9 1 1 A 54 54 ARG N N 54 119.132 118.971 0.161 1
1 631 . 9 1 1 A 55 55 GLU H H 55 6.758 8.647 -1.889 1
1 632 . 9 1 1 A 55 55 GLU HA H 55 3.983 4.082 -0.099 1
1 637 . 9 1 1 A 55 55 GLU C C 55 174.356 179.171 -4.815 1
1 638 . 9 1 1 A 55 55 GLU CA C 55 58.002 59.078 -1.076 1
1 639 . 9 1 1 A 55 55 GLU CB C 55 29.865 29.332 0.533 1
1 641 . 9 1 1 A 55 55 GLU N N 55 115.466 118.406 -2.940 1
1 642 . 9 1 1 A 56 56 GLU H H 56 7.245 7.686 -0.441 1
1 643 . 9 1 1 A 56 56 GLU HA H 56 4.294 4.076 0.218 1
1 648 . 9 1 1 A 56 56 GLU C C 56 175.946 176.186 -0.240 1
1 649 . 9 1 1 A 56 56 GLU CA C 56 55.827 58.594 -2.767 1
1 650 . 9 1 1 A 56 56 GLU CB C 56 30.030 29.956 0.074 1
1 652 . 9 1 1 A 56 56 GLU N N 56 114.653 119.722 -5.069 1
1 653 . 9 1 1 A 57 57 SER H H 57 7.405 7.809 -0.404 1
1 654 . 9 1 1 A 57 57 SER HA H 57 4.707 4.857 -0.150 1
1 657 . 9 1 1 A 57 57 SER C C 57 176.895 174.216 2.679 1
1 658 . 9 1 1 A 57 57 SER CA C 57 55.456 57.631 -2.175 1
1 659 . 9 1 1 A 57 57 SER CB C 57 64.059 65.445 -1.386 1
1 660 . 9 1 1 A 57 57 SER N N 57 114.312 112.242 2.070 1
1 661 . 9 1 1 A 58 58 LEU H H 58 8.819 8.809 0.010 1
1 662 . 9 1 1 A 58 58 LEU HA H 58 4.120 4.116 0.004 1
1 672 . 9 1 1 A 58 58 LEU C C 58 172.006 178.214 -6.208 1
1 673 . 9 1 1 A 58 58 LEU CA C 58 58.438 58.083 0.355 1
1 674 . 9 1 1 A 58 58 LEU CB C 58 41.839 42.009 -0.170 1
1 678 . 9 1 1 A 58 58 LEU N N 58 129.477 129.120 0.357 1
1 679 . 9 1 1 A 59 59 VAL H H 59 7.929 7.920 0.009 1
1 680 . 9 1 1 A 59 59 VAL HA H 59 4.305 4.076 0.229 1
1 688 . 9 1 1 A 59 59 VAL C C 59 173.624 177.815 -4.191 1
1 689 . 9 1 1 A 59 59 VAL CA C 59 64.028 64.493 -0.465 1
1 690 . 9 1 1 A 59 59 VAL CB C 59 33.135 31.287 1.848 1
1 693 . 9 1 1 A 59 59 VAL N N 59 112.367 114.498 -2.131 1
1 694 . 9 1 1 A 60 60 CYS H H 60 7.786 8.110 -0.324 1
1 695 . 9 1 1 A 60 60 CYS HA H 60 4.589 4.379 0.210 1
1 698 . 9 1 1 A 60 60 CYS C C 60 176.508 176.975 -0.467 1
1 699 . 9 1 1 A 60 60 CYS CA C 60 59.907 61.670 -1.763 1
1 700 . 9 1 1 A 60 60 CYS CB C 60 28.211 27.196 1.015 1
1 701 . 9 1 1 A 60 60 CYS N N 60 115.412 120.609 -5.197 1
1 702 . 9 1 1 A 61 61 LYS H H 61 7.415 7.964 -0.549 1
1 703 . 9 1 1 A 61 61 LYS HA H 61 3.820 4.082 -0.262 1
1 712 . 9 1 1 A 61 61 LYS C C 61 175.812 177.236 -1.424 1
1 713 . 9 1 1 A 61 61 LYS CA C 61 60.389 58.346 2.043 1
1 714 . 9 1 1 A 61 61 LYS CB C 61 32.606 32.105 0.501 1
1 718 . 9 1 1 A 61 61 LYS N N 61 120.942 120.212 0.730 1
1 719 . 9 1 1 A 62 62 ASP C C 62 175.254 175.551 -0.297 1
1 720 . 9 1 1 A 62 62 ASP CA C 62 55.159 53.910 1.249 1
1 721 . 9 1 1 A 62 62 ASP CB C 62 42.358 42.487 -0.129 1
1 722 . 9 1 1 A 64 64 ILE H H 64 7.784 8.244 -0.460 1
1 723 . 9 1 1 A 64 64 ILE HA H 64 4.126 5.087 -0.961 1
1 733 . 9 1 1 A 64 64 ILE C C 64 177.456 174.135 3.321 1
1 734 . 9 1 1 A 64 64 ILE CA C 64 60.516 59.797 0.719 1
1 735 . 9 1 1 A 64 64 ILE CB C 64 39.990 42.205 -2.215 1
1 739 . 9 1 1 A 64 64 ILE N N 64 122.653 120.346 2.307 1
1 740 . 9 1 1 A 65 65 LEU H H 65 8.357 8.903 -0.546 1
1 741 . 9 1 1 A 65 65 LEU HA H 65 4.858 4.967 -0.109 1
1 751 . 9 1 1 A 65 65 LEU C C 65 176.625 174.127 2.498 1
1 752 . 9 1 1 A 65 65 LEU CA C 65 53.315 53.039 0.276 1
1 753 . 9 1 1 A 65 65 LEU CB C 65 43.307 44.699 -1.392 1
1 757 . 9 1 1 A 65 65 LEU N N 65 128.311 128.412 -0.101 1
1 758 . 9 1 1 A 66 66 ASP H H 66 9.088 9.215 -0.127 1
1 759 . 9 1 1 A 66 66 ASP HA H 66 5.009 5.066 -0.057 1
1 762 . 9 1 1 A 66 66 ASP C C 66 177.504 174.857 2.647 1
1 763 . 9 1 1 A 66 66 ASP CA C 66 53.137 52.992 0.145 1
1 764 . 9 1 1 A 66 66 ASP CB C 66 44.234 41.841 2.393 1
1 765 . 9 1 1 A 66 66 ASP N N 66 129.457 128.527 0.930 1
1 766 . 9 1 1 A 67 67 ILE H H 67 8.240 8.696 -0.456 1
1 767 . 9 1 1 A 67 67 ILE HA H 67 4.759 4.478 0.281 1
1 777 . 9 1 1 A 67 67 ILE C C 67 175.569 175.638 -0.069 1
1 778 . 9 1 1 A 67 67 ILE CA C 67 59.640 61.995 -2.355 1
1 779 . 9 1 1 A 67 67 ILE CB C 67 39.948 37.938 2.010 1
1 783 . 9 1 1 A 67 67 ILE N N 67 120.821 127.071 -6.250 1
1 784 . 9 1 1 A 68 68 VAL H H 68 9.310 9.129 0.181 1
1 785 . 9 1 1 A 68 68 VAL HA H 68 4.149 4.514 -0.365 1
1 793 . 9 1 1 A 68 68 VAL C C 68 176.697 174.823 1.874 1
1 794 . 9 1 1 A 68 68 VAL CA C 68 60.707 60.907 -0.200 1
1 795 . 9 1 1 A 68 68 VAL CB C 68 34.121 34.657 -0.536 1
1 798 . 9 1 1 A 68 68 VAL N N 68 130.182 128.271 1.911 1
1 799 . 9 1 1 A 69 69 ASP H H 69 8.577 8.851 -0.274 1
1 800 . 9 1 1 A 69 69 ASP HA H 69 4.847 4.954 -0.107 1
1 803 . 9 1 1 A 69 69 ASP C C 69 175.713 175.523 0.190 1
1 804 . 9 1 1 A 69 69 ASP CA C 69 54.357 54.225 0.132 1
1 805 . 9 1 1 A 69 69 ASP CB C 69 41.353 40.999 0.354 1
1 806 . 9 1 1 A 69 69 ASP N N 69 127.151 128.388 -1.237 1
1 807 . 9 1 1 A 70 70 GLU H H 70 7.857 8.799 -0.942 1
1 808 . 9 1 1 A 70 70 GLU HA H 70 4.563 4.463 0.100 1
1 813 . 9 1 1 A 70 70 GLU C C 70 176.179 176.396 -0.217 1
1 814 . 9 1 1 A 70 70 GLU CA C 70 56.333 55.828 0.505 1
1 815 . 9 1 1 A 70 70 GLU CB C 70 31.503 31.258 0.245 1
1 817 . 9 1 1 A 70 70 GLU N N 70 123.503 124.273 -0.770 1
1 818 . 9 1 1 A 71 71 LYS H H 71 8.517 8.346 0.171 1
1 819 . 9 1 1 A 71 71 LYS HA H 71 4.261 4.279 -0.018 1
1 828 . 9 1 1 A 71 71 LYS C C 71 175.084 176.022 -0.938 1
1 829 . 9 1 1 A 71 71 LYS CA C 71 55.210 56.007 -0.797 1
1 830 . 9 1 1 A 71 71 LYS CB C 71 33.019 33.188 -0.169 1
1 834 . 9 1 1 A 71 71 LYS N N 71 124.197 122.524 1.673 1
1 835 . 9 1 1 A 72 72 VAL H H 72 8.612 8.262 0.350 1
1 836 . 9 1 1 A 72 72 VAL HA H 72 4.277 4.919 -0.642 1
1 844 . 9 1 1 A 72 72 VAL C C 72 176.529 174.770 1.759 1
1 845 . 9 1 1 A 72 72 VAL CA C 72 63.133 60.774 2.359 1
1 846 . 9 1 1 A 72 72 VAL CB C 72 32.188 34.240 -2.052 1
1 849 . 9 1 1 A 72 72 VAL N N 72 119.616 121.672 -2.056 1
1 850 . 9 1 1 A 73 73 GLU H H 73 7.750 8.676 -0.926 1
1 851 . 9 1 1 A 73 73 GLU HA H 73 4.469 4.798 -0.329 1
1 856 . 9 1 1 A 73 73 GLU C C 73 178.456 174.394 4.062 1
1 857 . 9 1 1 A 73 73 GLU CA C 73 55.241 54.913 0.328 1
1 858 . 9 1 1 A 73 73 GLU CB C 73 34.536 33.397 1.139 1
1 860 . 9 1 1 A 73 73 GLU N N 73 126.126 125.424 0.702 1
1 861 . 9 1 1 A 74 74 LEU H H 74 8.495 9.428 -0.933 1
1 862 . 9 1 1 A 74 74 LEU HA H 74 5.207 4.899 0.308 1
1 869 . 9 1 1 A 74 74 LEU C C 74 176.827 174.900 1.927 1
1 870 . 9 1 1 A 74 74 LEU CA C 74 52.600 53.518 -0.918 1
1 871 . 9 1 1 A 74 74 LEU CB C 74 45.404 42.096 3.308 1
1 874 . 9 1 1 A 74 74 LEU N N 74 123.821 127.475 -3.654 1
1 875 . 9 1 1 A 75 75 GLU H H 75 8.770 8.745 0.025 1
1 876 . 9 1 1 A 75 75 GLU HA H 75 5.127 4.322 0.805 1
1 881 . 9 1 1 A 75 75 GLU C C 75 176.617 175.897 0.720 1
1 882 . 9 1 1 A 75 75 GLU CA C 75 53.748 56.374 -2.626 1
1 883 . 9 1 1 A 75 75 GLU CB C 75 33.910 30.476 3.434 1
1 885 . 9 1 1 A 75 75 GLU N N 75 118.723 125.275 -6.552 1
1 886 . 9 1 1 A 76 76 CYS H H 76 9.354 8.246 1.108 1
1 887 . 9 1 1 A 76 76 CYS HA H 76 4.665 4.678 -0.013 1
1 890 . 9 1 1 A 76 76 CYS C C 76 173.085 175.436 -2.351 1
1 891 . 9 1 1 A 76 76 CYS CA C 76 59.386 57.731 1.655 1
1 892 . 9 1 1 A 76 76 CYS CB C 76 32.476 29.319 3.157 1
1 893 . 9 1 1 A 76 76 CYS N N 76 128.378 124.293 4.085 1
1 894 . 9 1 1 A 77 77 LYS H H 77 9.328 8.885 0.443 1
1 895 . 9 1 1 A 77 77 LYS HA H 77 4.279 4.047 0.232 1
1 904 . 9 1 1 A 77 77 LYS C C 77 174.709 177.120 -2.411 1
1 905 . 9 1 1 A 77 77 LYS CA C 77 56.997 59.607 -2.610 1
1 906 . 9 1 1 A 77 77 LYS CB C 77 31.240 32.655 -1.415 1
1 910 . 9 1 1 A 77 77 LYS N N 77 129.264 126.250 3.014 1
1 911 . 9 1 1 A 78 78 ASP H H 78 9.182 8.203 0.979 1
1 912 . 9 1 1 A 78 78 ASP HA H 78 4.945 4.763 0.182 1
1 915 . 9 1 1 A 78 78 ASP C C 78 173.961 174.613 -0.652 1
1 916 . 9 1 1 A 78 78 ASP CA C 78 56.797 53.541 3.256 1
1 917 . 9 1 1 A 78 78 ASP CB C 78 42.214 40.663 1.551 1
1 918 . 9 1 1 A 78 78 ASP N N 78 122.206 117.831 4.375 1
1 919 . 9 1 1 A 79 79 CYS H H 79 9.871 7.829 2.042 1
1 920 . 9 1 1 A 79 79 CYS HA H 79 5.165 4.827 0.338 1
1 923 . 9 1 1 A 79 79 CYS C C 79 174.253 173.567 0.686 1
1 924 . 9 1 1 A 79 79 CYS CA C 79 59.123 57.633 1.490 1
1 925 . 9 1 1 A 79 79 CYS CB C 79 32.286 30.693 1.593 1
1 926 . 9 1 1 A 79 79 CYS N N 79 124.020 121.417 2.603 1
1 927 . 9 1 1 A 80 80 SER H H 80 7.667 8.606 -0.939 1
1 928 . 9 1 1 A 80 80 SER HA H 80 4.564 4.786 -0.222 1
1 931 . 9 1 1 A 80 80 SER C C 80 178.621 173.268 5.353 1
1 932 . 9 1 1 A 80 80 SER CA C 80 62.038 57.344 4.694 1
1 933 . 9 1 1 A 80 80 SER CB C 80 62.215 64.456 -2.241 1
1 934 . 9 1 1 A 80 80 SER N N 80 115.904 117.321 -1.417 1
1 935 . 9 1 1 A 81 81 HIS H H 81 8.916 7.539 1.377 1
1 936 . 9 1 1 A 81 81 HIS HA H 81 4.649 4.878 -0.229 1
1 941 . 9 1 1 A 81 81 HIS C C 81 178.299 172.947 5.352 1
1 942 . 9 1 1 A 81 81 HIS CA C 81 58.348 55.815 2.533 1
1 943 . 9 1 1 A 81 81 HIS CB C 81 33.016 33.254 -0.238 1
1 946 . 9 1 1 A 81 81 HIS N N 81 125.397 120.439 4.958 1
1 949 . 9 1 1 A 82 82 VAL H H 82 7.058 8.110 -1.052 1
1 950 . 9 1 1 A 82 82 VAL HA H 82 5.212 4.767 0.445 1
1 958 . 9 1 1 A 82 82 VAL C C 82 176.161 173.698 2.463 1
1 959 . 9 1 1 A 82 82 VAL CA C 82 60.567 59.350 1.217 1
1 960 . 9 1 1 A 82 82 VAL CB C 82 34.355 35.929 -1.574 1
1 963 . 9 1 1 A 82 82 VAL N N 82 125.314 119.709 5.605 1
1 964 . 9 1 1 A 83 83 PHE H H 83 8.883 8.494 0.389 1
1 965 . 9 1 1 A 83 83 PHE HA H 83 4.842 5.269 -0.427 1
1 972 . 9 1 1 A 83 83 PHE C C 83 179.687 172.279 7.408 1
1 973 . 9 1 1 A 83 83 PHE CA C 83 55.495 55.435 0.060 1
1 974 . 9 1 1 A 83 83 PHE CB C 83 40.651 41.545 -0.894 1
1 978 . 9 1 1 A 83 83 PHE N N 83 122.377 119.108 3.269 1
1 979 . 9 1 1 A 84 84 LYS H H 84 8.658 8.876 -0.218 1
1 980 . 9 1 1 A 84 84 LYS HA H 84 5.001 4.818 0.183 1
1 989 . 9 1 1 A 84 84 LYS C C 84 176.705 174.404 2.301 1
1 990 . 9 1 1 A 84 84 LYS CA C 84 52.738 52.884 -0.146 1
1 991 . 9 1 1 A 84 84 LYS CB C 84 32.660 34.222 -1.562 1
1 995 . 9 1 1 A 84 84 LYS N N 84 121.116 119.769 1.347 1
1 996 . 9 1 1 A 85 85 PRO HA H 85 4.663 4.790 -0.127 1
1 1003 . 9 1 1 A 85 85 PRO C C 85 174.722 176.075 -1.353 1
1 1004 . 9 1 1 A 85 85 PRO CA C 85 62.633 62.954 -0.321 1
1 1005 . 9 1 1 A 85 85 PRO CB C 85 32.712 31.999 0.713 1
1 1008 . 9 1 1 A 86 86 ASN H H 86 8.983 8.863 0.120 1
1 1009 . 9 1 1 A 86 86 ASN HA H 86 4.704 4.959 -0.255 1
1 1014 . 9 1 1 A 86 86 ASN C C 86 176.576 174.953 1.623 1
1 1015 . 9 1 1 A 86 86 ASN CA C 86 53.552 53.811 -0.259 1
1 1016 . 9 1 1 A 86 86 ASN CB C 86 39.208 40.624 -1.416 1
1 1017 . 9 1 1 A 86 86 ASN N N 86 119.549 117.927 1.622 1
1 1019 . 9 1 1 A 87 87 ALA H H 87 8.122 7.829 0.293 1
1 1020 . 9 1 1 A 87 87 ALA HA H 87 4.369 4.123 0.246 1
1 1024 . 9 1 1 A 87 87 ALA C C 87 174.154 177.078 -2.924 1
1 1025 . 9 1 1 A 87 87 ALA CA C 87 52.560 52.381 0.179 1
1 1026 . 9 1 1 A 87 87 ALA CB C 87 19.660 19.698 -0.038 1
1 1027 . 9 1 1 A 87 87 ALA N N 87 122.483 120.589 1.894 1
1 1028 . 9 1 1 A 88 88 LEU H H 88 8.195 8.089 0.106 1
1 1029 . 9 1 1 A 88 88 LEU HA H 88 4.192 4.362 -0.170 1
1 1039 . 9 1 1 A 88 88 LEU C C 88 174.871 177.440 -2.569 1
1 1040 . 9 1 1 A 88 88 LEU CA C 88 55.691 55.309 0.382 1
1 1041 . 9 1 1 A 88 88 LEU CB C 88 41.708 42.876 -1.168 1
1 1045 . 9 1 1 A 88 88 LEU N N 88 118.730 116.936 1.794 1
1 1046 . 9 1 1 A 89 89 ASP H H 89 7.902 8.024 -0.122 1
1 1047 . 9 1 1 A 89 89 ASP HA H 89 4.601 4.321 0.280 1
1 1050 . 9 1 1 A 89 89 ASP C C 89 175.940 177.090 -1.150 1
1 1051 . 9 1 1 A 89 89 ASP CA C 89 53.641 57.009 -3.368 1
1 1052 . 9 1 1 A 89 89 ASP CB C 89 40.953 40.953 0.000 1
1 1053 . 9 1 1 A 89 89 ASP N N 89 118.577 120.377 -1.800 1
1 1054 . 9 1 1 A 90 90 TYR H H 90 7.922 7.225 0.697 1
1 1055 . 9 1 1 A 90 90 TYR HA H 90 4.551 4.619 -0.068 1
1 1062 . 9 1 1 A 90 90 TYR C C 90 175.338 176.645 -1.307 1
1 1063 . 9 1 1 A 90 90 TYR CA C 90 57.505 57.581 -0.076 1
1 1064 . 9 1 1 A 90 90 TYR CB C 90 38.147 39.144 -0.997 1
1 1067 . 9 1 1 A 90 90 TYR N N 90 121.632 114.728 6.904 1
1 1068 . 9 1 1 A 91 91 GLY H H 91 8.313 7.927 0.386 1
1 1069 . 9 1 1 A 91 91 GLY HA2 H 91 3.966 3.816 0.150 1
1 1070 . 9 1 1 A 91 91 GLY HA3 H 91 3.784 3.833 -0.049 1
1 1071 . 9 1 1 A 91 91 GLY C C 91 178.622 174.208 4.414 1
1 1072 . 9 1 1 A 91 91 GLY CA C 91 45.916 45.309 0.607 1
1 1073 . 9 1 1 A 91 91 GLY N N 91 108.097 109.316 -1.219 1
1 1074 . 9 1 1 A 92 92 VAL H H 92 7.078 7.611 -0.533 1
1 1075 . 9 1 1 A 92 92 VAL HA H 92 4.810 4.184 0.626 1
1 1083 . 9 1 1 A 92 92 VAL C C 92 176.954 175.672 1.282 1
1 1084 . 9 1 1 A 92 92 VAL CA C 92 59.083 61.753 -2.670 1
1 1085 . 9 1 1 A 92 92 VAL CB C 92 35.602 33.206 2.396 1
1 1088 . 9 1 1 A 92 92 VAL N N 92 113.901 117.811 -3.910 1
1 1089 . 9 1 1 A 93 93 CYS H H 93 9.086 8.437 0.649 1
1 1090 . 9 1 1 A 93 93 CYS HA H 93 4.118 4.837 -0.719 1
1 1093 . 9 1 1 A 93 93 CYS C C 93 173.477 176.412 -2.935 1
1 1094 . 9 1 1 A 93 93 CYS CA C 93 60.511 59.333 1.178 1
1 1095 . 9 1 1 A 93 93 CYS CB C 93 31.124 28.862 2.262 1
1 1096 . 9 1 1 A 93 93 CYS N N 93 126.248 122.597 3.651 1
1 1097 . 9 1 1 A 94 94 GLU H H 94 5.667 9.023 -3.356 1
1 1098 . 9 1 1 A 94 94 GLU HA H 94 4.073 4.170 -0.097 1
1 1103 . 9 1 1 A 94 94 GLU C C 94 176.973 178.563 -1.590 1
1 1104 . 9 1 1 A 94 94 GLU CA C 94 57.434 58.588 -1.154 1
1 1105 . 9 1 1 A 94 94 GLU CB C 94 28.813 30.153 -1.340 1
1 1107 . 9 1 1 A 94 94 GLU N N 94 126.541 123.575 2.966 1
1 1108 . 9 1 1 A 95 95 LYS H H 95 9.002 7.507 1.495 1
1 1109 . 9 1 1 A 95 95 LYS HA H 95 4.076 4.287 -0.211 1
1 1118 . 9 1 1 A 95 95 LYS C C 95 174.890 176.517 -1.627 1
1 1119 . 9 1 1 A 95 95 LYS CA C 95 57.782 58.414 -0.632 1
1 1120 . 9 1 1 A 95 95 LYS CB C 95 34.056 33.118 0.938 1
1 1124 . 9 1 1 A 95 95 LYS N N 95 123.753 117.561 6.192 1
1 1125 . 9 1 1 A 96 96 CYS H H 96 9.063 7.701 1.362 1
1 1126 . 9 1 1 A 96 96 CYS HA H 96 4.755 4.098 0.657 1
1 1129 . 9 1 1 A 96 96 CYS C C 96 174.775 174.535 0.240 1
1 1130 . 9 1 1 A 96 96 CYS CA C 96 58.756 58.300 0.456 1
1 1131 . 9 1 1 A 96 96 CYS CB C 96 32.066 29.222 2.844 1
1 1132 . 9 1 1 A 96 96 CYS N N 96 120.699 116.409 4.290 1
1 1133 . 9 1 1 A 97 97 HIS H H 97 7.541 8.964 -1.423 1
1 1134 . 9 1 1 A 97 97 HIS HA H 97 4.474 4.903 -0.429 1
1 1139 . 9 1 1 A 97 97 HIS C C 97 178.193 173.895 4.298 1
1 1140 . 9 1 1 A 97 97 HIS CA C 97 57.481 55.057 2.424 1
1 1141 . 9 1 1 A 97 97 HIS CB C 97 27.126 29.017 -1.891 1
1 1144 . 9 1 1 A 97 97 HIS N N 97 116.676 120.096 -3.420 1
1 1147 . 9 1 1 A 98 98 SER H H 98 8.775 7.733 1.042 1
1 1148 . 9 1 1 A 98 98 SER HA H 98 4.322 5.051 -0.729 1
1 1151 . 9 1 1 A 98 98 SER C C 98 176.432 173.828 2.604 1
1 1152 . 9 1 1 A 98 98 SER CA C 98 58.923 57.370 1.553 1
1 1153 . 9 1 1 A 98 98 SER CB C 98 64.790 66.757 -1.967 1
1 1154 . 9 1 1 A 98 98 SER N N 98 116.989 115.698 1.291 1
1 1155 . 9 1 1 A 99 99 LYS H H 99 8.567 8.771 -0.204 1
1 1156 . 9 1 1 A 99 99 LYS HA H 99 4.935 4.491 0.444 1
1 1165 . 9 1 1 A 99 99 LYS C C 99 173.648 177.327 -3.679 1
1 1166 . 9 1 1 A 99 99 LYS CA C 99 56.417 56.744 -0.327 1
1 1167 . 9 1 1 A 99 99 LYS CB C 99 32.366 31.896 0.470 1
1 1171 . 9 1 1 A 99 99 LYS N N 99 122.510 124.794 -2.284 1
1 1172 . 9 1 1 A 100 100 ASN H H 100 9.426 8.201 1.225 1
1 1173 . 9 1 1 A 100 100 ASN HA H 100 4.916 4.573 0.343 1
1 1178 . 9 1 1 A 100 100 ASN C C 100 178.498 175.498 3.000 1
1 1179 . 9 1 1 A 100 100 ASN CA C 100 51.999 54.004 -2.005 1
1 1180 . 9 1 1 A 100 100 ASN CB C 100 36.539 37.673 -1.134 1
1 1181 . 9 1 1 A 100 100 ASN N N 100 124.489 117.544 6.945 1
1 1183 . 9 1 1 A 101 101 VAL H H 101 7.627 7.467 0.160 1
1 1184 . 9 1 1 A 101 101 VAL HA H 101 5.329 4.137 1.192 1
1 1192 . 9 1 1 A 101 101 VAL C C 101 175.484 175.818 -0.334 1
1 1193 . 9 1 1 A 101 101 VAL CA C 101 58.253 61.993 -3.740 1
1 1194 . 9 1 1 A 101 101 VAL CB C 101 34.692 32.498 2.194 1
1 1197 . 9 1 1 A 101 101 VAL N N 101 112.585 118.936 -6.351 1
1 1198 . 9 1 1 A 102 102 ILE H H 102 9.032 8.931 0.101 1
1 1199 . 9 1 1 A 102 102 ILE HA H 102 4.671 4.797 -0.126 1
1 1209 . 9 1 1 A 102 102 ILE C C 102 177.283 174.554 2.729 1
1 1210 . 9 1 1 A 102 102 ILE CA C 102 58.979 58.559 0.420 1
1 1211 . 9 1 1 A 102 102 ILE CB C 102 41.970 41.868 0.102 1
1 1215 . 9 1 1 A 102 102 ILE N N 102 119.819 120.231 -0.412 1
1 1216 . 9 1 1 A 103 103 ILE H H 103 8.364 8.900 -0.536 1
1 1217 . 9 1 1 A 103 103 ILE HA H 103 4.527 4.260 0.267 1
1 1227 . 9 1 1 A 103 103 ILE C C 103 174.186 176.371 -2.185 1
1 1228 . 9 1 1 A 103 103 ILE CA C 103 61.366 61.292 0.074 1
1 1229 . 9 1 1 A 103 103 ILE CB C 103 38.577 36.858 1.719 1
1 1233 . 9 1 1 A 103 103 ILE N N 103 123.325 124.944 -1.619 1
1 1234 . 9 1 1 A 104 104 THR H H 104 8.796 8.810 -0.014 1
1 1235 . 9 1 1 A 104 104 THR HA H 104 4.260 4.338 -0.078 1
1 1240 . 9 1 1 A 104 104 THR C C 104 176.317 173.868 2.449 1
1 1241 . 9 1 1 A 104 104 THR CA C 104 62.708 63.448 -0.740 1
1 1242 . 9 1 1 A 104 104 THR CB C 104 68.431 69.797 -1.366 1
1 1244 . 9 1 1 A 104 104 THR N N 104 120.825 123.175 -2.350 1
1 1245 . 9 1 1 A 105 105 GLN H H 105 7.705 7.686 0.019 1
1 1246 . 9 1 1 A 105 105 GLN HA H 105 4.482 4.601 -0.119 1
1 1253 . 9 1 1 A 105 105 GLN C C 105 177.316 175.129 2.187 1
1 1254 . 9 1 1 A 105 105 GLN CA C 105 55.621 55.510 0.111 1
1 1255 . 9 1 1 A 105 105 GLN CB C 105 31.897 31.704 0.193 1
1 1257 . 9 1 1 A 105 105 GLN N N 105 118.599 119.711 -1.112 1
1 1259 . 9 1 1 A 106 106 GLY H H 106 9.091 8.645 0.446 1
1 1260 . 9 1 1 A 106 106 GLY HA2 H 106 3.472 3.975 -0.503 1
1 1261 . 9 1 1 A 106 106 GLY HA3 H 106 4.255 3.977 0.278 1
1 1262 . 9 1 1 A 106 106 GLY C C 106 178.226 175.057 3.169 1
1 1263 . 9 1 1 A 106 106 GLY CA C 106 45.497 45.170 0.327 1
1 1264 . 9 1 1 A 106 106 GLY N N 106 106.938 115.020 -8.082 1
1 1265 . 9 1 1 A 107 107 ASN H H 107 8.542 7.943 0.599 1
1 1266 . 9 1 1 A 107 107 ASN HA H 107 4.670 4.429 0.241 1
1 1271 . 9 1 1 A 107 107 ASN C C 107 176.917 174.886 2.031 1
1 1272 . 9 1 1 A 107 107 ASN CA C 107 52.697 55.490 -2.793 1
1 1273 . 9 1 1 A 107 107 ASN CB C 107 39.745 39.163 0.582 1
1 1274 . 9 1 1 A 107 107 ASN N N 107 117.838 119.935 -2.097 1
1 1276 . 9 1 1 A 108 108 GLU H H 108 8.050 7.688 0.362 1
1 1277 . 9 1 1 A 108 108 GLU HA H 108 4.638 4.687 -0.049 1
1 1282 . 9 1 1 A 108 108 GLU C C 108 176.463 175.886 0.577 1
1 1283 . 9 1 1 A 108 108 GLU CA C 108 55.693 54.563 1.130 1
1 1284 . 9 1 1 A 108 108 GLU CB C 108 32.643 34.650 -2.007 1
1 1286 . 9 1 1 A 108 108 GLU N N 108 118.542 115.431 3.111 1
1 1287 . 9 1 1 A 109 109 MET H H 109 8.431 8.559 -0.128 1
1 1288 . 9 1 1 A 109 109 MET HA H 109 5.236 4.676 0.560 1
1 1296 . 9 1 1 A 109 109 MET C C 109 176.443 175.482 0.961 1
1 1297 . 9 1 1 A 109 109 MET CA C 109 54.801 54.781 0.020 1
1 1298 . 9 1 1 A 109 109 MET CB C 109 33.115 33.864 -0.749 1
1 1301 . 9 1 1 A 109 109 MET N N 109 121.401 119.855 1.546 1
1 1302 . 9 1 1 A 110 110 ARG H H 110 9.166 9.114 0.052 1
1 1303 . 9 1 1 A 110 110 ARG HA H 110 4.771 5.059 -0.288 1
1 1311 . 9 1 1 A 110 110 ARG C C 110 177.215 174.843 2.372 1
1 1312 . 9 1 1 A 110 110 ARG CA C 110 54.826 54.357 0.469 1
1 1313 . 9 1 1 A 110 110 ARG CB C 110 33.474 33.848 -0.374 1
1 1316 . 9 1 1 A 110 110 ARG N N 110 123.271 117.557 5.714 1
1 1318 . 9 1 1 A 111 111 LEU H H 111 8.874 8.780 0.094 1
1 1319 . 9 1 1 A 111 111 LEU HA H 111 4.335 4.446 -0.111 1
1 1329 . 9 1 1 A 111 111 LEU C C 111 175.976 176.533 -0.557 1
1 1330 . 9 1 1 A 111 111 LEU CA C 111 55.633 54.835 0.798 1
1 1331 . 9 1 1 A 111 111 LEU CB C 111 42.413 42.415 -0.002 1
1 1335 . 9 1 1 A 111 111 LEU N N 111 125.212 121.928 3.284 1
1 1336 . 9 1 1 A 112 112 LEU HA H 112 4.432 4.407 0.025 1
1 1346 . 9 1 1 A 112 112 LEU C C 112 173.898 176.510 -2.612 1
1 1347 . 9 1 1 A 112 112 LEU CA C 112 56.230 55.979 0.251 1
1 1348 . 9 1 1 A 112 112 LEU CB C 112 42.688 42.980 -0.292 1
1 1352 . 9 1 1 A 113 113 SER H H 113 7.895 7.193 0.702 1
1 1353 . 9 1 1 A 113 113 SER HA H 113 4.509 4.649 -0.140 1
1 1356 . 9 1 1 A 113 113 SER C C 113 180.240 172.064 8.176 1
1 1357 . 9 1 1 A 113 113 SER CA C 113 58.129 57.179 0.950 1
1 1358 . 9 1 1 A 113 113 SER CB C 113 64.473 64.969 -0.496 1
1 1359 . 9 1 1 A 113 113 SER N N 113 110.894 109.310 1.584 1
1 1360 . 9 1 1 A 114 114 LEU H H 114 8.151 8.364 -0.213 1
1 1361 . 9 1 1 A 114 114 LEU HA H 114 5.086 5.150 -0.064 1
1 1371 . 9 1 1 A 114 114 LEU C C 114 175.777 175.825 -0.048 1
1 1372 . 9 1 1 A 114 114 LEU CA C 114 53.830 53.699 0.131 1
1 1373 . 9 1 1 A 114 114 LEU CB C 114 46.471 46.251 0.220 1
1 1377 . 9 1 1 A 114 114 LEU N N 114 120.671 122.415 -1.744 1
1 1378 . 9 1 1 A 115 115 GLU H H 115 8.666 8.826 -0.160 1
1 1379 . 9 1 1 A 115 115 GLU HA H 115 4.823 5.208 -0.385 1
1 1384 . 9 1 1 A 115 115 GLU C C 115 175.727 175.129 0.598 1
1 1385 . 9 1 1 A 115 115 GLU CA C 115 55.127 54.451 0.676 1
1 1386 . 9 1 1 A 115 115 GLU CB C 115 31.063 33.879 -2.816 1
1 1388 . 9 1 1 A 115 115 GLU N N 115 122.105 119.592 2.513 1
1 1389 . 9 1 1 A 116 116 MET H H 116 9.159 8.683 0.476 1
1 1390 . 9 1 1 A 116 116 MET HA H 116 4.989 5.215 -0.226 1
1 1398 . 9 1 1 A 116 116 MET C C 116 177.447 174.800 2.647 1
1 1399 . 9 1 1 A 116 116 MET CA C 116 54.669 54.771 -0.102 1
1 1400 . 9 1 1 A 116 116 MET CB C 116 36.107 36.065 0.042 1
1 1403 . 9 1 1 A 116 116 MET N N 116 123.947 122.045 1.902 1
1 1404 . 9 1 1 A 117 117 LEU H H 117 8.573 8.889 -0.316 1
1 1405 . 9 1 1 A 117 117 LEU HA H 117 4.670 4.921 -0.251 1
1 1412 . 9 1 1 A 117 117 LEU C C 117 175.990 176.863 -0.873 1
1 1413 . 9 1 1 A 117 117 LEU CA C 117 54.549 53.414 1.135 1
1 1414 . 9 1 1 A 117 117 LEU CB C 117 44.045 45.825 -1.780 1
1 1417 . 9 1 1 A 117 117 LEU N N 117 122.478 124.922 -2.444 1
1 1418 . 9 1 1 A 118 118 ALA H H 118 8.714 8.726 -0.012 1
1 1419 . 9 1 1 A 118 118 ALA HA H 118 4.604 4.276 0.328 1
1 1423 . 9 1 1 A 118 118 ALA C C 118 175.279 177.215 -1.936 1
1 1424 . 9 1 1 A 118 118 ALA CA C 118 52.155 53.299 -1.144 1
1 1425 . 9 1 1 A 118 118 ALA CB C 118 20.444 19.543 0.901 1
1 1426 . 9 1 1 A 118 118 ALA N N 118 127.701 123.288 4.413 1
1 4 . 10 1 1 A 2 2 SER HA H 2 4.544 4.167 0.377 1
1 7 . 10 1 1 A 2 2 SER CA C 2 58.424 62.979 -4.555 1
1 8 . 10 1 1 A 2 2 SER CB C 2 64.017 63.732 0.285 1
1 13 . 10 1 1 A 4 4 HIS HA H 4 4.504 4.422 0.082 1
1 17 . 10 1 1 A 4 4 HIS C C 4 175.043 176.456 -1.413 1
1 18 . 10 1 1 A 4 4 HIS CA C 4 58.574 58.489 0.085 1
1 19 . 10 1 1 A 4 4 HIS CB C 4 30.859 28.508 2.351 1
1 20 . 10 1 1 A 5 5 GLU H H 5 10.002 8.505 1.497 1
1 21 . 10 1 1 A 5 5 GLU HA H 5 3.831 3.911 -0.080 1
1 26 . 10 1 1 A 5 5 GLU C C 5 173.758 176.996 -3.238 1
1 27 . 10 1 1 A 5 5 GLU CA C 5 61.822 58.520 3.302 1
1 28 . 10 1 1 A 5 5 GLU CB C 5 28.884 28.317 0.567 1
1 30 . 10 1 1 A 5 5 GLU N N 5 120.850 120.641 0.209 1
1 31 . 10 1 1 A 6 6 TYR H H 6 8.163 7.145 1.018 1
1 32 . 10 1 1 A 6 6 TYR HA H 6 4.066 4.461 -0.395 1
1 39 . 10 1 1 A 6 6 TYR C C 6 173.754 177.104 -3.350 1
1 40 . 10 1 1 A 6 6 TYR CA C 6 61.029 58.925 2.104 1
1 41 . 10 1 1 A 6 6 TYR CB C 6 37.391 38.743 -1.352 1
1 44 . 10 1 1 A 6 6 TYR N N 6 117.171 118.772 -1.601 1
1 45 . 10 1 1 A 7 7 SER H H 7 7.929 8.189 -0.260 1
1 46 . 10 1 1 A 7 7 SER HA H 7 4.265 4.167 0.098 1
1 49 . 10 1 1 A 7 7 SER C C 7 174.434 177.399 -2.965 1
1 50 . 10 1 1 A 7 7 SER CA C 7 61.471 61.769 -0.298 1
1 51 . 10 1 1 A 7 7 SER CB C 7 62.686 63.231 -0.545 1
1 52 . 10 1 1 A 7 7 SER N N 7 116.417 116.641 -0.224 1
1 53 . 10 1 1 A 8 8 VAL H H 8 8.088 8.240 -0.152 1
1 54 . 10 1 1 A 8 8 VAL HA H 8 3.795 3.793 0.002 1
1 62 . 10 1 1 A 8 8 VAL C C 8 172.652 178.053 -5.401 1
1 63 . 10 1 1 A 8 8 VAL CA C 8 66.036 65.604 0.432 1
1 64 . 10 1 1 A 8 8 VAL CB C 8 31.811 31.335 0.476 1
1 67 . 10 1 1 A 8 8 VAL N N 8 122.514 120.183 2.331 1
1 68 . 10 1 1 A 9 9 VAL H H 9 8.255 8.433 -0.178 1
1 69 . 10 1 1 A 9 9 VAL HA H 9 3.539 3.711 -0.172 1
1 77 . 10 1 1 A 9 9 VAL C C 9 174.142 178.040 -3.898 1
1 78 . 10 1 1 A 9 9 VAL CA C 9 67.201 67.066 0.135 1
1 79 . 10 1 1 A 9 9 VAL CB C 9 30.859 31.693 -0.834 1
1 82 . 10 1 1 A 9 9 VAL N N 9 120.829 122.224 -1.395 1
1 83 . 10 1 1 A 10 10 SER H H 10 8.179 8.248 -0.069 1
1 84 . 10 1 1 A 10 10 SER HA H 10 3.726 3.869 -0.143 1
1 87 . 10 1 1 A 10 10 SER C C 10 173.669 177.296 -3.627 1
1 88 . 10 1 1 A 10 10 SER CA C 10 62.397 61.482 0.915 1
1 89 . 10 1 1 A 10 10 SER CB C 10 62.470 62.851 -0.381 1
1 90 . 10 1 1 A 10 10 SER N N 10 115.937 115.421 0.516 1
1 91 . 10 1 1 A 11 11 SER H H 11 7.860 8.148 -0.288 1
1 92 . 10 1 1 A 11 11 SER HA H 11 4.312 4.127 0.185 1
1 95 . 10 1 1 A 11 11 SER C C 11 174.888 177.574 -2.686 1
1 96 . 10 1 1 A 11 11 SER CA C 11 61.863 61.743 0.120 1
1 97 . 10 1 1 A 11 11 SER CB C 11 62.638 63.232 -0.594 1
1 98 . 10 1 1 A 11 11 SER N N 11 117.940 115.657 2.283 1
1 99 . 10 1 1 A 12 12 LEU H H 12 8.197 8.267 -0.070 1
1 100 . 10 1 1 A 12 12 LEU HA H 12 4.331 3.957 0.374 1
1 110 . 10 1 1 A 12 12 LEU C C 12 172.791 179.206 -6.415 1
1 111 . 10 1 1 A 12 12 LEU CA C 12 58.035 58.302 -0.267 1
1 112 . 10 1 1 A 12 12 LEU CB C 12 42.062 42.318 -0.256 1
1 116 . 10 1 1 A 12 12 LEU N N 12 125.411 121.741 3.670 1
1 117 . 10 1 1 A 13 13 ILE H H 13 8.689 8.273 0.416 1
1 118 . 10 1 1 A 13 13 ILE HA H 13 3.654 3.705 -0.051 1
1 128 . 10 1 1 A 13 13 ILE C C 13 173.945 178.046 -4.101 1
1 129 . 10 1 1 A 13 13 ILE CA C 13 65.287 65.994 -0.707 1
1 130 . 10 1 1 A 13 13 ILE CB C 13 36.843 37.682 -0.839 1
1 134 . 10 1 1 A 13 13 ILE N N 13 121.352 118.902 2.450 1
1 135 . 10 1 1 A 14 14 ALA H H 14 7.692 8.387 -0.695 1
1 136 . 10 1 1 A 14 14 ALA HA H 14 4.218 4.103 0.115 1
1 140 . 10 1 1 A 14 14 ALA C C 14 170.805 179.905 -9.100 1
1 141 . 10 1 1 A 14 14 ALA CA C 14 55.484 55.347 0.137 1
1 142 . 10 1 1 A 14 14 ALA CB C 14 17.698 18.286 -0.588 1
1 143 . 10 1 1 A 14 14 ALA N N 14 121.374 122.957 -1.583 1
1 144 . 10 1 1 A 15 15 LEU H H 15 8.040 8.263 -0.223 1
1 145 . 10 1 1 A 15 15 LEU HA H 15 4.253 3.715 0.538 1
1 152 . 10 1 1 A 15 15 LEU C C 15 171.818 178.546 -6.728 1
1 153 . 10 1 1 A 15 15 LEU CA C 15 58.208 58.006 0.202 1
1 154 . 10 1 1 A 15 15 LEU CB C 15 42.286 42.012 0.274 1
1 157 . 10 1 1 A 15 15 LEU N N 15 121.328 118.308 3.020 1
1 158 . 10 1 1 A 16 16 CYS H H 16 8.587 8.773 -0.186 1
1 159 . 10 1 1 A 16 16 CYS HA H 16 3.954 4.345 -0.391 1
1 162 . 10 1 1 A 16 16 CYS C C 16 174.494 176.617 -2.123 1
1 163 . 10 1 1 A 16 16 CYS CA C 16 64.933 62.002 2.931 1
1 164 . 10 1 1 A 16 16 CYS CB C 16 26.960 27.366 -0.406 1
1 165 . 10 1 1 A 16 16 CYS N N 16 118.908 117.955 0.953 1
1 166 . 10 1 1 A 17 17 GLU H H 17 8.576 8.294 0.282 1
1 167 . 10 1 1 A 17 17 GLU HA H 17 3.806 4.054 -0.248 1
1 172 . 10 1 1 A 17 17 GLU C C 17 172.225 178.821 -6.596 1
1 173 . 10 1 1 A 17 17 GLU CA C 17 60.306 59.714 0.592 1
1 174 . 10 1 1 A 17 17 GLU CB C 17 29.130 29.179 -0.049 1
1 176 . 10 1 1 A 17 17 GLU N N 17 118.419 121.641 -3.222 1
1 177 . 10 1 1 A 18 18 GLU H H 18 8.156 7.814 0.342 1
1 178 . 10 1 1 A 18 18 GLU HA H 18 4.115 4.041 0.074 1
1 183 . 10 1 1 A 18 18 GLU C C 18 172.241 179.235 -6.994 1
1 184 . 10 1 1 A 18 18 GLU CA C 18 59.507 59.440 0.067 1
1 185 . 10 1 1 A 18 18 GLU CB C 18 29.335 29.384 -0.049 1
1 187 . 10 1 1 A 18 18 GLU N N 18 121.603 119.828 1.775 1
1 188 . 10 1 1 A 19 19 HIS H H 19 8.379 7.935 0.444 1
1 189 . 10 1 1 A 19 19 HIS HA H 19 4.174 4.422 -0.248 1
1 194 . 10 1 1 A 19 19 HIS C C 19 172.511 177.663 -5.152 1
1 195 . 10 1 1 A 19 19 HIS CA C 19 60.525 59.613 0.912 1
1 196 . 10 1 1 A 19 19 HIS CB C 19 31.354 30.069 1.285 1
1 198 . 10 1 1 A 19 19 HIS N N 19 119.634 119.141 0.493 1
1 201 . 10 1 1 A 20 20 ALA H H 20 8.568 8.375 0.193 1
1 202 . 10 1 1 A 20 20 ALA HA H 20 4.143 3.942 0.201 1
1 206 . 10 1 1 A 20 20 ALA C C 20 172.155 179.328 -7.173 1
1 207 . 10 1 1 A 20 20 ALA CA C 20 55.716 55.450 0.266 1
1 208 . 10 1 1 A 20 20 ALA CB C 20 17.682 18.399 -0.717 1
1 209 . 10 1 1 A 20 20 ALA N N 20 122.453 121.890 0.563 1
1 210 . 10 1 1 A 21 21 LYS H H 21 8.055 7.985 0.070 1
1 211 . 10 1 1 A 21 21 LYS HA H 21 4.128 4.103 0.025 1
1 220 . 10 1 1 A 21 21 LYS C C 21 170.753 178.867 -8.114 1
1 221 . 10 1 1 A 21 21 LYS CA C 21 59.469 59.278 0.191 1
1 222 . 10 1 1 A 21 21 LYS CB C 21 32.369 31.990 0.379 1
1 226 . 10 1 1 A 21 21 LYS N N 21 118.604 116.690 1.914 1
1 227 . 10 1 1 A 22 22 LYS H H 22 8.092 7.654 0.438 1
1 228 . 10 1 1 A 22 22 LYS HA H 22 4.100 4.039 0.061 1
1 237 . 10 1 1 A 22 22 LYS C C 22 174.300 178.247 -3.947 1
1 238 . 10 1 1 A 22 22 LYS CA C 22 58.920 59.395 -0.475 1
1 239 . 10 1 1 A 22 22 LYS CB C 22 32.406 32.381 0.025 1
1 243 . 10 1 1 A 22 22 LYS N N 22 119.468 119.690 -0.222 1
1 244 . 10 1 1 A 23 23 ASN H H 23 7.461 7.924 -0.463 1
1 245 . 10 1 1 A 23 23 ASN HA H 23 4.710 4.846 -0.136 1
1 248 . 10 1 1 A 23 23 ASN C C 23 178.526 174.850 3.676 1
1 249 . 10 1 1 A 23 23 ASN CA C 23 53.514 53.075 0.439 1
1 250 . 10 1 1 A 23 23 ASN CB C 23 40.124 38.872 1.252 1
1 251 . 10 1 1 A 23 23 ASN N N 23 115.166 116.972 -1.806 1
1 252 . 10 1 1 A 24 24 GLN H H 24 7.879 8.050 -0.171 1
1 253 . 10 1 1 A 24 24 GLN HA H 24 3.927 4.079 -0.152 1
1 260 . 10 1 1 A 24 24 GLN C C 24 177.284 175.878 1.406 1
1 261 . 10 1 1 A 24 24 GLN CA C 24 57.083 56.899 0.184 1
1 262 . 10 1 1 A 24 24 GLN CB C 24 26.400 25.889 0.511 1
1 264 . 10 1 1 A 24 24 GLN N N 24 116.046 116.510 -0.464 1
1 266 . 10 1 1 A 25 25 ALA H H 25 8.491 8.472 0.019 1
1 267 . 10 1 1 A 25 25 ALA HA H 25 4.600 4.285 0.315 1
1 271 . 10 1 1 A 25 25 ALA C C 25 174.729 178.019 -3.290 1
1 272 . 10 1 1 A 25 25 ALA CA C 25 51.416 54.021 -2.605 1
1 273 . 10 1 1 A 25 25 ALA CB C 25 21.350 19.575 1.775 1
1 274 . 10 1 1 A 25 25 ALA N N 25 120.372 121.064 -0.692 1
1 275 . 10 1 1 A 26 26 HIS H H 26 8.476 8.210 0.266 1
1 276 . 10 1 1 A 26 26 HIS HA H 26 4.736 4.161 0.575 1
1 280 . 10 1 1 A 26 26 HIS C C 26 176.751 173.913 2.838 1
1 281 . 10 1 1 A 26 26 HIS CA C 26 56.211 57.208 -0.997 1
1 282 . 10 1 1 A 26 26 HIS CB C 26 31.838 28.935 2.903 1
1 284 . 10 1 1 A 26 26 HIS N N 26 117.648 115.907 1.741 1
1 285 . 10 1 1 A 27 27 LYS H H 27 7.540 7.403 0.137 1
1 286 . 10 1 1 A 27 27 LYS HA H 27 4.766 4.484 0.282 1
1 295 . 10 1 1 A 27 27 LYS C C 27 176.918 173.862 3.056 1
1 296 . 10 1 1 A 27 27 LYS CA C 27 55.877 54.897 0.980 1
1 297 . 10 1 1 A 27 27 LYS CB C 27 36.796 35.099 1.697 1
1 301 . 10 1 1 A 27 27 LYS N N 27 116.451 115.135 1.316 1
1 302 . 10 1 1 A 28 28 ILE H H 28 8.320 8.711 -0.391 1
1 303 . 10 1 1 A 28 28 ILE HA H 28 4.319 4.905 -0.586 1
1 310 . 10 1 1 A 28 28 ILE C C 28 176.921 175.847 1.074 1
1 311 . 10 1 1 A 28 28 ILE CA C 28 60.552 59.518 1.034 1
1 312 . 10 1 1 A 28 28 ILE CB C 28 38.843 41.446 -2.603 1
1 313 . 10 1 1 A 28 28 ILE N N 28 123.140 121.172 1.968 1
1 314 . 10 1 1 A 29 29 GLU H H 29 9.001 9.317 -0.316 1
1 315 . 10 1 1 A 29 29 GLU HA H 29 4.446 4.302 0.144 1
1 320 . 10 1 1 A 29 29 GLU C C 29 174.406 175.793 -1.387 1
1 321 . 10 1 1 A 29 29 GLU CA C 29 57.363 58.020 -0.657 1
1 322 . 10 1 1 A 29 29 GLU CB C 29 31.761 30.870 0.891 1
1 324 . 10 1 1 A 29 29 GLU N N 29 125.872 127.324 -1.452 1
1 325 . 10 1 1 A 30 30 ARG H H 30 7.654 7.881 -0.227 1
1 326 . 10 1 1 A 30 30 ARG HA H 30 5.282 5.011 0.271 1
1 334 . 10 1 1 A 30 30 ARG C C 30 178.750 173.517 5.233 1
1 335 . 10 1 1 A 30 30 ARG CA C 30 55.558 55.423 0.135 1
1 336 . 10 1 1 A 30 30 ARG CB C 30 34.774 33.722 1.052 1
1 338 . 10 1 1 A 30 30 ARG N N 30 119.436 118.679 0.757 1
1 340 . 10 1 1 A 31 31 VAL H H 31 9.234 9.154 0.080 1
1 341 . 10 1 1 A 31 31 VAL HA H 31 4.397 5.044 -0.647 1
1 349 . 10 1 1 A 31 31 VAL C C 31 178.662 173.393 5.269 1
1 350 . 10 1 1 A 31 31 VAL CA C 31 60.882 59.814 1.068 1
1 351 . 10 1 1 A 31 31 VAL CB C 31 34.494 35.010 -0.516 1
1 354 . 10 1 1 A 31 31 VAL N N 31 127.428 121.803 5.625 1
1 355 . 10 1 1 A 32 32 VAL H H 32 8.626 9.041 -0.415 1
1 356 . 10 1 1 A 32 32 VAL HA H 32 5.039 5.051 -0.012 1
1 364 . 10 1 1 A 32 32 VAL C C 32 175.519 174.461 1.058 1
1 365 . 10 1 1 A 32 32 VAL CA C 32 60.917 60.823 0.094 1
1 366 . 10 1 1 A 32 32 VAL CB C 32 31.892 33.779 -1.887 1
1 368 . 10 1 1 A 32 32 VAL N N 32 126.581 128.120 -1.539 1
1 369 . 10 1 1 A 33 33 VAL H H 33 8.802 8.990 -0.188 1
1 370 . 10 1 1 A 33 33 VAL HA H 33 4.917 4.866 0.051 1
1 378 . 10 1 1 A 33 33 VAL C C 33 178.038 173.292 4.746 1
1 379 . 10 1 1 A 33 33 VAL CA C 33 58.975 59.522 -0.547 1
1 380 . 10 1 1 A 33 33 VAL CB C 33 35.109 36.024 -0.915 1
1 383 . 10 1 1 A 33 33 VAL N N 33 122.994 127.537 -4.543 1
1 384 . 10 1 1 A 34 34 GLY H H 34 9.535 8.928 0.607 1
1 385 . 10 1 1 A 34 34 GLY HA2 H 34 5.187 4.234 0.953 1
1 386 . 10 1 1 A 34 34 GLY HA3 H 34 3.404 4.240 -0.836 1
1 387 . 10 1 1 A 34 34 GLY C C 34 178.060 171.889 6.171 1
1 388 . 10 1 1 A 34 34 GLY CA C 34 44.108 44.438 -0.330 1
1 389 . 10 1 1 A 34 34 GLY N N 34 112.269 113.803 -1.534 1
1 390 . 10 1 1 A 35 35 ILE H H 35 8.761 9.260 -0.499 1
1 391 . 10 1 1 A 35 35 ILE HA H 35 4.340 4.695 -0.355 1
1 401 . 10 1 1 A 35 35 ILE C C 35 174.823 176.249 -1.426 1
1 402 . 10 1 1 A 35 35 ILE CA C 35 60.287 59.504 0.783 1
1 403 . 10 1 1 A 35 35 ILE CB C 35 39.357 41.170 -1.813 1
1 407 . 10 1 1 A 35 35 ILE N N 35 123.848 124.881 -1.033 1
1 408 . 10 1 1 A 36 36 GLY H H 36 8.439 8.638 -0.199 1
1 409 . 10 1 1 A 36 36 GLY HA2 H 36 3.321 4.099 -0.778 1
1 410 . 10 1 1 A 36 36 GLY HA3 H 36 4.444 4.104 0.340 1
1 411 . 10 1 1 A 36 36 GLY C C 36 175.743 174.848 0.895 1
1 412 . 10 1 1 A 36 36 GLY CA C 36 46.389 45.689 0.700 1
1 413 . 10 1 1 A 36 36 GLY N N 36 117.219 114.057 3.162 1
1 414 . 10 1 1 A 37 37 GLU H H 37 8.756 8.975 -0.219 1
1 415 . 10 1 1 A 37 37 GLU HA H 37 4.277 4.114 0.163 1
1 420 . 10 1 1 A 37 37 GLU C C 37 174.413 176.923 -2.510 1
1 421 . 10 1 1 A 37 37 GLU CA C 37 58.568 58.410 0.158 1
1 422 . 10 1 1 A 37 37 GLU CB C 37 29.809 29.014 0.795 1
1 424 . 10 1 1 A 37 37 GLU N N 37 124.260 120.752 3.508 1
1 425 . 10 1 1 A 38 38 ARG H H 38 8.483 7.795 0.688 1
1 426 . 10 1 1 A 38 38 ARG HA H 38 4.594 4.535 0.059 1
1 434 . 10 1 1 A 38 38 ARG C C 38 175.250 176.684 -1.434 1
1 435 . 10 1 1 A 38 38 ARG CA C 38 54.916 55.731 -0.815 1
1 436 . 10 1 1 A 38 38 ARG CB C 38 29.706 30.798 -1.092 1
1 439 . 10 1 1 A 38 38 ARG N N 38 117.248 119.862 -2.614 1
1 441 . 10 1 1 A 39 39 SER H H 39 7.630 7.855 -0.225 1
1 442 . 10 1 1 A 39 39 SER HA H 39 4.139 4.405 -0.266 1
1 445 . 10 1 1 A 39 39 SER C C 39 176.694 173.779 2.915 1
1 446 . 10 1 1 A 39 39 SER CA C 39 59.524 60.428 -0.904 1
1 447 . 10 1 1 A 39 39 SER CB C 39 64.248 63.088 1.160 1
1 448 . 10 1 1 A 39 39 SER N N 39 115.086 114.924 0.162 1
1 449 . 10 1 1 A 40 40 ALA H H 40 8.667 7.951 0.716 1
1 450 . 10 1 1 A 40 40 ALA HA H 40 4.267 3.965 0.302 1
1 454 . 10 1 1 A 40 40 ALA C C 40 174.406 176.293 -1.887 1
1 455 . 10 1 1 A 40 40 ALA CA C 40 52.641 53.501 -0.860 1
1 456 . 10 1 1 A 40 40 ALA CB C 40 17.976 17.821 0.155 1
1 457 . 10 1 1 A 40 40 ALA N N 40 126.133 122.443 3.690 1
1 458 . 10 1 1 A 41 41 MET H H 41 7.793 7.762 0.031 1
1 459 . 10 1 1 A 41 41 MET HA H 41 4.389 4.536 -0.147 1
1 467 . 10 1 1 A 41 41 MET C C 41 176.689 175.243 1.446 1
1 468 . 10 1 1 A 41 41 MET CA C 41 55.965 54.659 1.306 1
1 469 . 10 1 1 A 41 41 MET CB C 41 34.761 32.889 1.872 1
1 472 . 10 1 1 A 41 41 MET N N 41 117.758 116.838 0.920 1
1 473 . 10 1 1 A 42 42 ASP H H 42 9.667 8.870 0.797 1
1 474 . 10 1 1 A 42 42 ASP HA H 42 4.706 4.664 0.042 1
1 477 . 10 1 1 A 42 42 ASP C C 42 174.559 177.445 -2.886 1
1 478 . 10 1 1 A 42 42 ASP CA C 42 53.363 54.002 -0.639 1
1 479 . 10 1 1 A 42 42 ASP CB C 42 41.740 39.800 1.940 1
1 480 . 10 1 1 A 42 42 ASP N N 42 125.565 124.658 0.907 1
1 481 . 10 1 1 A 43 43 LYS H H 43 8.928 8.122 0.806 1
1 482 . 10 1 1 A 43 43 LYS HA H 43 3.752 4.191 -0.439 1
1 491 . 10 1 1 A 43 43 LYS C C 43 173.737 178.600 -4.863 1
1 492 . 10 1 1 A 43 43 LYS CA C 43 60.966 59.238 1.728 1
1 493 . 10 1 1 A 43 43 LYS CB C 43 32.585 32.082 0.503 1
1 497 . 10 1 1 A 43 43 LYS N N 43 127.256 124.495 2.761 1
1 498 . 10 1 1 A 44 44 SER H H 44 8.327 7.803 0.524 1
1 499 . 10 1 1 A 44 44 SER HA H 44 4.009 4.248 -0.239 1
1 502 . 10 1 1 A 44 44 SER C C 44 174.032 177.522 -3.490 1
1 503 . 10 1 1 A 44 44 SER CA C 44 62.461 61.556 0.905 1
1 504 . 10 1 1 A 44 44 SER CB C 44 62.281 63.165 -0.884 1
1 505 . 10 1 1 A 44 44 SER N N 44 114.797 115.228 -0.431 1
1 506 . 10 1 1 A 45 45 LEU H H 45 7.878 8.066 -0.188 1
1 507 . 10 1 1 A 45 45 LEU HA H 45 4.254 4.084 0.170 1
1 517 . 10 1 1 A 45 45 LEU C C 45 172.915 178.884 -5.969 1
1 518 . 10 1 1 A 45 45 LEU CA C 45 57.128 58.417 -1.289 1
1 519 . 10 1 1 A 45 45 LEU CB C 45 41.738 41.934 -0.196 1
1 523 . 10 1 1 A 45 45 LEU N N 45 124.570 122.111 2.459 1
1 524 . 10 1 1 A 46 46 PHE H H 46 8.343 8.562 -0.219 1
1 525 . 10 1 1 A 46 46 PHE HA H 46 3.882 4.191 -0.309 1
1 532 . 10 1 1 A 46 46 PHE C C 46 175.104 177.176 -2.072 1
1 533 . 10 1 1 A 46 46 PHE CA C 46 61.820 61.574 0.246 1
1 534 . 10 1 1 A 46 46 PHE CB C 46 40.047 39.228 0.819 1
1 537 . 10 1 1 A 46 46 PHE N N 46 121.059 119.407 1.652 1
1 538 . 10 1 1 A 47 47 VAL H H 47 8.370 8.314 0.056 1
1 539 . 10 1 1 A 47 47 VAL HA H 47 3.466 3.374 0.092 1
1 547 . 10 1 1 A 47 47 VAL C C 47 173.353 177.940 -4.587 1
1 548 . 10 1 1 A 47 47 VAL CA C 47 67.220 64.524 2.696 1
1 549 . 10 1 1 A 47 47 VAL CB C 47 31.927 31.096 0.831 1
1 552 . 10 1 1 A 47 47 VAL N N 47 118.023 119.170 -1.147 1
1 553 . 10 1 1 A 48 48 SER H H 48 7.967 8.265 -0.298 1
1 554 . 10 1 1 A 48 48 SER HA H 48 4.268 4.114 0.154 1
1 557 . 10 1 1 A 48 48 SER C C 48 174.187 177.169 -2.982 1
1 558 . 10 1 1 A 48 48 SER CA C 48 61.789 61.392 0.397 1
1 559 . 10 1 1 A 48 48 SER CB C 48 62.761 63.239 -0.478 1
1 560 . 10 1 1 A 48 48 SER N N 48 114.372 117.181 -2.809 1
1 561 . 10 1 1 A 49 49 ALA H H 49 8.489 7.921 0.568 1
1 562 . 10 1 1 A 49 49 ALA HA H 49 3.931 4.241 -0.310 1
1 566 . 10 1 1 A 49 49 ALA C C 49 172.626 179.657 -7.031 1
1 567 . 10 1 1 A 49 49 ALA CA C 49 55.067 55.143 -0.076 1
1 568 . 10 1 1 A 49 49 ALA CB C 49 17.587 18.718 -1.131 1
1 569 . 10 1 1 A 49 49 ALA N N 49 124.199 122.774 1.425 1
1 570 . 10 1 1 A 50 50 PHE H H 50 8.510 8.259 0.251 1
1 571 . 10 1 1 A 50 50 PHE HA H 50 3.763 4.079 -0.316 1
1 578 . 10 1 1 A 50 50 PHE C C 50 174.923 177.458 -2.535 1
1 579 . 10 1 1 A 50 50 PHE CA C 50 63.098 61.186 1.912 1
1 580 . 10 1 1 A 50 50 PHE CB C 50 39.465 38.965 0.500 1
1 583 . 10 1 1 A 50 50 PHE N N 50 120.967 119.809 1.158 1
1 584 . 10 1 1 A 51 51 GLU H H 51 8.561 8.775 -0.214 1
1 585 . 10 1 1 A 51 51 GLU HA H 51 3.717 3.853 -0.136 1
1 590 . 10 1 1 A 51 51 GLU C C 51 173.002 179.027 -6.025 1
1 591 . 10 1 1 A 51 51 GLU CA C 51 59.750 59.285 0.465 1
1 592 . 10 1 1 A 51 51 GLU CB C 51 29.330 29.184 0.146 1
1 594 . 10 1 1 A 51 51 GLU N N 51 116.915 117.762 -0.847 1
1 595 . 10 1 1 A 52 52 THR H H 52 7.759 7.698 0.061 1
1 596 . 10 1 1 A 52 52 THR HA H 52 4.090 3.907 0.183 1
1 601 . 10 1 1 A 52 52 THR C C 52 174.897 176.064 -1.167 1
1 602 . 10 1 1 A 52 52 THR CA C 52 65.899 66.434 -0.535 1
1 603 . 10 1 1 A 52 52 THR CB C 52 69.172 68.859 0.313 1
1 605 . 10 1 1 A 52 52 THR N N 52 114.348 117.225 -2.877 1
1 606 . 10 1 1 A 53 53 PHE H H 53 8.725 8.219 0.506 1
1 607 . 10 1 1 A 53 53 PHE HA H 53 4.335 4.370 -0.035 1
1 614 . 10 1 1 A 53 53 PHE C C 53 172.389 177.945 -5.556 1
1 615 . 10 1 1 A 53 53 PHE CA C 53 60.011 61.825 -1.814 1
1 616 . 10 1 1 A 53 53 PHE CB C 53 38.244 37.615 0.629 1
1 619 . 10 1 1 A 53 53 PHE N N 53 120.493 118.096 2.397 1
1 620 . 10 1 1 A 54 54 ARG H H 54 8.579 8.231 0.348 1
1 621 . 10 1 1 A 54 54 ARG HA H 54 3.626 3.801 -0.175 1
1 625 . 10 1 1 A 54 54 ARG C C 54 175.195 177.748 -2.553 1
1 626 . 10 1 1 A 54 54 ARG CA C 54 59.252 58.525 0.727 1
1 627 . 10 1 1 A 54 54 ARG CB C 54 26.544 29.484 -2.940 1
1 629 . 10 1 1 A 54 54 ARG N N 54 119.132 118.377 0.755 1
1 631 . 10 1 1 A 55 55 GLU H H 55 6.758 8.590 -1.832 1
1 632 . 10 1 1 A 55 55 GLU HA H 55 3.983 3.986 -0.003 1
1 637 . 10 1 1 A 55 55 GLU C C 55 174.356 179.342 -4.986 1
1 638 . 10 1 1 A 55 55 GLU CA C 55 58.002 59.471 -1.469 1
1 639 . 10 1 1 A 55 55 GLU CB C 55 29.865 29.203 0.662 1
1 641 . 10 1 1 A 55 55 GLU N N 55 115.466 118.213 -2.747 1
1 642 . 10 1 1 A 56 56 GLU H H 56 7.245 7.866 -0.621 1
1 643 . 10 1 1 A 56 56 GLU HA H 56 4.294 4.220 0.074 1
1 648 . 10 1 1 A 56 56 GLU C C 56 175.946 176.034 -0.088 1
1 649 . 10 1 1 A 56 56 GLU CA C 56 55.827 58.339 -2.512 1
1 650 . 10 1 1 A 56 56 GLU CB C 56 30.030 29.624 0.406 1
1 652 . 10 1 1 A 56 56 GLU N N 56 114.653 119.360 -4.707 1
1 653 . 10 1 1 A 57 57 SER H H 57 7.405 7.667 -0.262 1
1 654 . 10 1 1 A 57 57 SER HA H 57 4.707 4.878 -0.171 1
1 657 . 10 1 1 A 57 57 SER C C 57 176.895 173.655 3.240 1
1 658 . 10 1 1 A 57 57 SER CA C 57 55.456 57.560 -2.104 1
1 659 . 10 1 1 A 57 57 SER CB C 57 64.059 66.928 -2.869 1
1 660 . 10 1 1 A 57 57 SER N N 57 114.312 112.649 1.663 1
1 661 . 10 1 1 A 58 58 LEU H H 58 8.819 8.877 -0.058 1
1 662 . 10 1 1 A 58 58 LEU HA H 58 4.120 3.938 0.182 1
1 672 . 10 1 1 A 58 58 LEU C C 58 172.006 179.182 -7.176 1
1 673 . 10 1 1 A 58 58 LEU CA C 58 58.438 57.423 1.015 1
1 674 . 10 1 1 A 58 58 LEU CB C 58 41.839 42.031 -0.192 1
1 678 . 10 1 1 A 58 58 LEU N N 58 129.477 125.417 4.060 1
1 679 . 10 1 1 A 59 59 VAL H H 59 7.929 8.007 -0.078 1
1 680 . 10 1 1 A 59 59 VAL HA H 59 4.305 3.911 0.394 1
1 688 . 10 1 1 A 59 59 VAL C C 59 173.624 178.106 -4.482 1
1 689 . 10 1 1 A 59 59 VAL CA C 59 64.028 64.418 -0.390 1
1 690 . 10 1 1 A 59 59 VAL CB C 59 33.135 31.245 1.890 1
1 693 . 10 1 1 A 59 59 VAL N N 59 112.367 113.162 -0.795 1
1 694 . 10 1 1 A 60 60 CYS H H 60 7.786 8.144 -0.358 1
1 695 . 10 1 1 A 60 60 CYS HA H 60 4.589 4.355 0.234 1
1 698 . 10 1 1 A 60 60 CYS C C 60 176.508 177.111 -0.603 1
1 699 . 10 1 1 A 60 60 CYS CA C 60 59.907 62.383 -2.476 1
1 700 . 10 1 1 A 60 60 CYS CB C 60 28.211 26.293 1.918 1
1 701 . 10 1 1 A 60 60 CYS N N 60 115.412 120.044 -4.632 1
1 702 . 10 1 1 A 61 61 LYS H H 61 7.415 7.616 -0.201 1
1 703 . 10 1 1 A 61 61 LYS HA H 61 3.820 4.000 -0.180 1
1 712 . 10 1 1 A 61 61 LYS C C 61 175.812 177.584 -1.772 1
1 713 . 10 1 1 A 61 61 LYS CA C 61 60.389 58.387 2.002 1
1 714 . 10 1 1 A 61 61 LYS CB C 61 32.606 32.113 0.493 1
1 718 . 10 1 1 A 61 61 LYS N N 61 120.942 119.404 1.538 1
1 719 . 10 1 1 A 62 62 ASP C C 62 175.254 176.118 -0.864 1
1 720 . 10 1 1 A 62 62 ASP CA C 62 55.159 53.233 1.926 1
1 721 . 10 1 1 A 62 62 ASP CB C 62 42.358 41.359 0.999 1
1 722 . 10 1 1 A 64 64 ILE H H 64 7.784 8.521 -0.737 1
1 723 . 10 1 1 A 64 64 ILE HA H 64 4.126 4.861 -0.735 1
1 733 . 10 1 1 A 64 64 ILE C C 64 177.456 174.334 3.122 1
1 734 . 10 1 1 A 64 64 ILE CA C 64 60.516 60.124 0.392 1
1 735 . 10 1 1 A 64 64 ILE CB C 64 39.990 41.566 -1.576 1
1 739 . 10 1 1 A 64 64 ILE N N 64 122.653 119.738 2.915 1
1 740 . 10 1 1 A 65 65 LEU H H 65 8.357 9.018 -0.661 1
1 741 . 10 1 1 A 65 65 LEU HA H 65 4.858 5.087 -0.229 1
1 751 . 10 1 1 A 65 65 LEU C C 65 176.625 174.375 2.250 1
1 752 . 10 1 1 A 65 65 LEU CA C 65 53.315 53.326 -0.011 1
1 753 . 10 1 1 A 65 65 LEU CB C 65 43.307 44.426 -1.119 1
1 757 . 10 1 1 A 65 65 LEU N N 65 128.311 129.594 -1.283 1
1 758 . 10 1 1 A 66 66 ASP H H 66 9.088 9.264 -0.176 1
1 759 . 10 1 1 A 66 66 ASP HA H 66 5.009 5.118 -0.109 1
1 762 . 10 1 1 A 66 66 ASP C C 66 177.504 175.005 2.499 1
1 763 . 10 1 1 A 66 66 ASP CA C 66 53.137 53.456 -0.319 1
1 764 . 10 1 1 A 66 66 ASP CB C 66 44.234 41.970 2.264 1
1 765 . 10 1 1 A 66 66 ASP N N 66 129.457 126.501 2.956 1
1 766 . 10 1 1 A 67 67 ILE H H 67 8.240 9.361 -1.121 1
1 767 . 10 1 1 A 67 67 ILE HA H 67 4.759 4.624 0.135 1
1 777 . 10 1 1 A 67 67 ILE C C 67 175.569 175.344 0.225 1
1 778 . 10 1 1 A 67 67 ILE CA C 67 59.640 60.257 -0.617 1
1 779 . 10 1 1 A 67 67 ILE CB C 67 39.948 38.080 1.868 1
1 783 . 10 1 1 A 67 67 ILE N N 67 120.821 126.033 -5.212 1
1 784 . 10 1 1 A 68 68 VAL H H 68 9.310 8.926 0.384 1
1 785 . 10 1 1 A 68 68 VAL HA H 68 4.149 4.032 0.117 1
1 793 . 10 1 1 A 68 68 VAL C C 68 176.697 175.147 1.550 1
1 794 . 10 1 1 A 68 68 VAL CA C 68 60.707 62.904 -2.197 1
1 795 . 10 1 1 A 68 68 VAL CB C 68 34.121 31.928 2.193 1
1 798 . 10 1 1 A 68 68 VAL N N 68 130.182 128.339 1.843 1
1 799 . 10 1 1 A 69 69 ASP H H 69 8.577 8.793 -0.216 1
1 800 . 10 1 1 A 69 69 ASP HA H 69 4.847 4.743 0.104 1
1 803 . 10 1 1 A 69 69 ASP C C 69 175.713 175.159 0.554 1
1 804 . 10 1 1 A 69 69 ASP CA C 69 54.357 53.553 0.804 1
1 805 . 10 1 1 A 69 69 ASP CB C 69 41.353 41.062 0.291 1
1 806 . 10 1 1 A 69 69 ASP N N 69 127.151 128.650 -1.499 1
1 807 . 10 1 1 A 70 70 GLU H H 70 7.857 8.993 -1.136 1
1 808 . 10 1 1 A 70 70 GLU HA H 70 4.563 4.858 -0.295 1
1 813 . 10 1 1 A 70 70 GLU C C 70 176.179 176.384 -0.205 1
1 814 . 10 1 1 A 70 70 GLU CA C 70 56.333 55.465 0.868 1
1 815 . 10 1 1 A 70 70 GLU CB C 70 31.503 31.604 -0.101 1
1 817 . 10 1 1 A 70 70 GLU N N 70 123.503 127.604 -4.101 1
1 818 . 10 1 1 A 71 71 LYS H H 71 8.517 8.503 0.014 1
1 819 . 10 1 1 A 71 71 LYS HA H 71 4.261 4.502 -0.241 1
1 828 . 10 1 1 A 71 71 LYS C C 71 175.084 176.086 -1.002 1
1 829 . 10 1 1 A 71 71 LYS CA C 71 55.210 56.492 -1.282 1
1 830 . 10 1 1 A 71 71 LYS CB C 71 33.019 33.585 -0.566 1
1 834 . 10 1 1 A 71 71 LYS N N 71 124.197 125.275 -1.078 1
1 835 . 10 1 1 A 72 72 VAL H H 72 8.612 8.721 -0.109 1
1 836 . 10 1 1 A 72 72 VAL HA H 72 4.277 5.273 -0.996 1
1 844 . 10 1 1 A 72 72 VAL C C 72 176.529 173.919 2.610 1
1 845 . 10 1 1 A 72 72 VAL CA C 72 63.133 59.095 4.038 1
1 846 . 10 1 1 A 72 72 VAL CB C 72 32.188 35.467 -3.279 1
1 849 . 10 1 1 A 72 72 VAL N N 72 119.616 118.787 0.829 1
1 850 . 10 1 1 A 73 73 GLU H H 73 7.750 8.342 -0.592 1
1 851 . 10 1 1 A 73 73 GLU HA H 73 4.469 4.680 -0.211 1
1 856 . 10 1 1 A 73 73 GLU C C 73 178.456 174.126 4.330 1
1 857 . 10 1 1 A 73 73 GLU CA C 73 55.241 55.316 -0.075 1
1 858 . 10 1 1 A 73 73 GLU CB C 73 34.536 34.195 0.341 1
1 860 . 10 1 1 A 73 73 GLU N N 73 126.126 120.600 5.526 1
1 861 . 10 1 1 A 74 74 LEU H H 74 8.495 9.191 -0.696 1
1 862 . 10 1 1 A 74 74 LEU HA H 74 5.207 4.834 0.373 1
1 869 . 10 1 1 A 74 74 LEU C C 74 176.827 176.247 0.580 1
1 870 . 10 1 1 A 74 74 LEU CA C 74 52.600 53.297 -0.697 1
1 871 . 10 1 1 A 74 74 LEU CB C 74 45.404 42.592 2.812 1
1 874 . 10 1 1 A 74 74 LEU N N 74 123.821 126.840 -3.019 1
1 875 . 10 1 1 A 75 75 GLU H H 75 8.770 8.478 0.292 1
1 876 . 10 1 1 A 75 75 GLU HA H 75 5.127 4.278 0.849 1
1 881 . 10 1 1 A 75 75 GLU C C 75 176.617 175.766 0.851 1
1 882 . 10 1 1 A 75 75 GLU CA C 75 53.748 56.008 -2.260 1
1 883 . 10 1 1 A 75 75 GLU CB C 75 33.910 30.463 3.447 1
1 885 . 10 1 1 A 75 75 GLU N N 75 118.723 124.526 -5.803 1
1 886 . 10 1 1 A 76 76 CYS H H 76 9.354 8.518 0.836 1
1 887 . 10 1 1 A 76 76 CYS HA H 76 4.665 4.576 0.089 1
1 890 . 10 1 1 A 76 76 CYS C C 76 173.085 175.714 -2.629 1
1 891 . 10 1 1 A 76 76 CYS CA C 76 59.386 58.812 0.574 1
1 892 . 10 1 1 A 76 76 CYS CB C 76 32.476 28.539 3.937 1
1 893 . 10 1 1 A 76 76 CYS N N 76 128.378 121.368 7.010 1
1 894 . 10 1 1 A 77 77 LYS H H 77 9.328 8.686 0.642 1
1 895 . 10 1 1 A 77 77 LYS HA H 77 4.279 4.027 0.252 1
1 904 . 10 1 1 A 77 77 LYS C C 77 174.709 177.075 -2.366 1
1 905 . 10 1 1 A 77 77 LYS CA C 77 56.997 59.145 -2.148 1
1 906 . 10 1 1 A 77 77 LYS CB C 77 31.240 32.698 -1.458 1
1 910 . 10 1 1 A 77 77 LYS N N 77 129.264 125.951 3.313 1
1 911 . 10 1 1 A 78 78 ASP H H 78 9.182 8.133 1.049 1
1 912 . 10 1 1 A 78 78 ASP HA H 78 4.945 4.856 0.089 1
1 915 . 10 1 1 A 78 78 ASP C C 78 173.961 174.548 -0.587 1
1 916 . 10 1 1 A 78 78 ASP CA C 78 56.797 52.815 3.982 1
1 917 . 10 1 1 A 78 78 ASP CB C 78 42.214 41.258 0.956 1
1 918 . 10 1 1 A 78 78 ASP N N 78 122.206 117.050 5.156 1
1 919 . 10 1 1 A 79 79 CYS H H 79 9.871 7.947 1.924 1
1 920 . 10 1 1 A 79 79 CYS HA H 79 5.165 4.819 0.346 1
1 923 . 10 1 1 A 79 79 CYS C C 79 174.253 173.379 0.874 1
1 924 . 10 1 1 A 79 79 CYS CA C 79 59.123 57.816 1.307 1
1 925 . 10 1 1 A 79 79 CYS CB C 79 32.286 30.529 1.757 1
1 926 . 10 1 1 A 79 79 CYS N N 79 124.020 122.831 1.189 1
1 927 . 10 1 1 A 80 80 SER H H 80 7.667 8.579 -0.912 1
1 928 . 10 1 1 A 80 80 SER HA H 80 4.564 4.786 -0.222 1
1 931 . 10 1 1 A 80 80 SER C C 80 178.621 173.255 5.366 1
1 932 . 10 1 1 A 80 80 SER CA C 80 62.038 57.376 4.662 1
1 933 . 10 1 1 A 80 80 SER CB C 80 62.215 64.518 -2.303 1
1 934 . 10 1 1 A 80 80 SER N N 80 115.904 117.203 -1.299 1
1 935 . 10 1 1 A 81 81 HIS H H 81 8.916 7.589 1.327 1
1 936 . 10 1 1 A 81 81 HIS HA H 81 4.649 4.967 -0.318 1
1 941 . 10 1 1 A 81 81 HIS C C 81 178.299 173.065 5.234 1
1 942 . 10 1 1 A 81 81 HIS CA C 81 58.348 55.292 3.056 1
1 943 . 10 1 1 A 81 81 HIS CB C 81 33.016 33.537 -0.521 1
1 946 . 10 1 1 A 81 81 HIS N N 81 125.397 120.687 4.710 1
1 949 . 10 1 1 A 82 82 VAL H H 82 7.058 8.058 -1.000 1
1 950 . 10 1 1 A 82 82 VAL HA H 82 5.212 4.833 0.379 1
1 958 . 10 1 1 A 82 82 VAL C C 82 176.161 173.736 2.425 1
1 959 . 10 1 1 A 82 82 VAL CA C 82 60.567 59.347 1.220 1
1 960 . 10 1 1 A 82 82 VAL CB C 82 34.355 35.920 -1.565 1
1 963 . 10 1 1 A 82 82 VAL N N 82 125.314 119.499 5.815 1
1 964 . 10 1 1 A 83 83 PHE H H 83 8.883 8.622 0.261 1
1 965 . 10 1 1 A 83 83 PHE HA H 83 4.842 5.237 -0.395 1
1 972 . 10 1 1 A 83 83 PHE C C 83 179.687 172.847 6.840 1
1 973 . 10 1 1 A 83 83 PHE CA C 83 55.495 55.459 0.036 1
1 974 . 10 1 1 A 83 83 PHE CB C 83 40.651 41.372 -0.721 1
1 978 . 10 1 1 A 83 83 PHE N N 83 122.377 118.833 3.544 1
1 979 . 10 1 1 A 84 84 LYS H H 84 8.658 8.861 -0.203 1
1 980 . 10 1 1 A 84 84 LYS HA H 84 5.001 4.894 0.107 1
1 989 . 10 1 1 A 84 84 LYS C C 84 176.705 174.833 1.872 1
1 990 . 10 1 1 A 84 84 LYS CA C 84 52.738 54.122 -1.384 1
1 991 . 10 1 1 A 84 84 LYS CB C 84 32.660 33.704 -1.044 1
1 995 . 10 1 1 A 84 84 LYS N N 84 121.116 117.737 3.379 1
1 996 . 10 1 1 A 85 85 PRO HA H 85 4.663 4.810 -0.147 1
1 1003 . 10 1 1 A 85 85 PRO C C 85 174.722 176.181 -1.459 1
1 1004 . 10 1 1 A 85 85 PRO CA C 85 62.633 62.922 -0.289 1
1 1005 . 10 1 1 A 85 85 PRO CB C 85 32.712 31.904 0.808 1
1 1008 . 10 1 1 A 86 86 ASN H H 86 8.983 9.032 -0.049 1
1 1009 . 10 1 1 A 86 86 ASN HA H 86 4.704 4.899 -0.195 1
1 1014 . 10 1 1 A 86 86 ASN C C 86 176.576 174.912 1.664 1
1 1015 . 10 1 1 A 86 86 ASN CA C 86 53.552 54.812 -1.260 1
1 1016 . 10 1 1 A 86 86 ASN CB C 86 39.208 40.554 -1.346 1
1 1017 . 10 1 1 A 86 86 ASN N N 86 119.549 120.139 -0.590 1
1 1019 . 10 1 1 A 87 87 ALA H H 87 8.122 7.807 0.315 1
1 1020 . 10 1 1 A 87 87 ALA HA H 87 4.369 4.061 0.308 1
1 1024 . 10 1 1 A 87 87 ALA C C 87 174.154 177.174 -3.020 1
1 1025 . 10 1 1 A 87 87 ALA CA C 87 52.560 52.374 0.186 1
1 1026 . 10 1 1 A 87 87 ALA CB C 87 19.660 19.670 -0.010 1
1 1027 . 10 1 1 A 87 87 ALA N N 87 122.483 121.007 1.476 1
1 1028 . 10 1 1 A 88 88 LEU H H 88 8.195 8.021 0.174 1
1 1029 . 10 1 1 A 88 88 LEU HA H 88 4.192 4.366 -0.174 1
1 1039 . 10 1 1 A 88 88 LEU C C 88 174.871 177.463 -2.592 1
1 1040 . 10 1 1 A 88 88 LEU CA C 88 55.691 55.399 0.292 1
1 1041 . 10 1 1 A 88 88 LEU CB C 88 41.708 42.885 -1.177 1
1 1045 . 10 1 1 A 88 88 LEU N N 88 118.730 117.022 1.708 1
1 1046 . 10 1 1 A 89 89 ASP H H 89 7.902 8.066 -0.164 1
1 1047 . 10 1 1 A 89 89 ASP HA H 89 4.601 4.280 0.321 1
1 1050 . 10 1 1 A 89 89 ASP C C 89 175.940 177.406 -1.466 1
1 1051 . 10 1 1 A 89 89 ASP CA C 89 53.641 57.008 -3.367 1
1 1052 . 10 1 1 A 89 89 ASP CB C 89 40.953 41.087 -0.134 1
1 1053 . 10 1 1 A 89 89 ASP N N 89 118.577 120.431 -1.854 1
1 1054 . 10 1 1 A 90 90 TYR H H 90 7.922 7.360 0.562 1
1 1055 . 10 1 1 A 90 90 TYR HA H 90 4.551 4.578 -0.027 1
1 1062 . 10 1 1 A 90 90 TYR C C 90 175.338 176.580 -1.242 1
1 1063 . 10 1 1 A 90 90 TYR CA C 90 57.505 57.601 -0.096 1
1 1064 . 10 1 1 A 90 90 TYR CB C 90 38.147 38.929 -0.782 1
1 1067 . 10 1 1 A 90 90 TYR N N 90 121.632 116.904 4.728 1
1 1068 . 10 1 1 A 91 91 GLY H H 91 8.313 8.201 0.112 1
1 1069 . 10 1 1 A 91 91 GLY HA2 H 91 3.966 3.860 0.106 1
1 1070 . 10 1 1 A 91 91 GLY HA3 H 91 3.784 3.904 -0.120 1
1 1071 . 10 1 1 A 91 91 GLY C C 91 178.622 174.327 4.295 1
1 1072 . 10 1 1 A 91 91 GLY CA C 91 45.916 45.276 0.640 1
1 1073 . 10 1 1 A 91 91 GLY N N 91 108.097 109.372 -1.275 1
1 1074 . 10 1 1 A 92 92 VAL H H 92 7.078 7.571 -0.493 1
1 1075 . 10 1 1 A 92 92 VAL HA H 92 4.810 4.213 0.597 1
1 1083 . 10 1 1 A 92 92 VAL C C 92 176.954 175.642 1.312 1
1 1084 . 10 1 1 A 92 92 VAL CA C 92 59.083 61.766 -2.683 1
1 1085 . 10 1 1 A 92 92 VAL CB C 92 35.602 32.976 2.626 1
1 1088 . 10 1 1 A 92 92 VAL N N 92 113.901 117.479 -3.578 1
1 1089 . 10 1 1 A 93 93 CYS H H 93 9.086 8.749 0.337 1
1 1090 . 10 1 1 A 93 93 CYS HA H 93 4.118 4.834 -0.716 1
1 1093 . 10 1 1 A 93 93 CYS C C 93 173.477 175.838 -2.361 1
1 1094 . 10 1 1 A 93 93 CYS CA C 93 60.511 59.778 0.733 1
1 1095 . 10 1 1 A 93 93 CYS CB C 93 31.124 28.755 2.369 1
1 1096 . 10 1 1 A 93 93 CYS N N 93 126.248 123.026 3.222 1
1 1097 . 10 1 1 A 94 94 GLU H H 94 5.667 9.041 -3.374 1
1 1098 . 10 1 1 A 94 94 GLU HA H 94 4.073 3.967 0.106 1
1 1103 . 10 1 1 A 94 94 GLU C C 94 176.973 178.392 -1.419 1
1 1104 . 10 1 1 A 94 94 GLU CA C 94 57.434 59.702 -2.268 1
1 1105 . 10 1 1 A 94 94 GLU CB C 94 28.813 29.191 -0.378 1
1 1107 . 10 1 1 A 94 94 GLU N N 94 126.541 126.954 -0.413 1
1 1108 . 10 1 1 A 95 95 LYS H H 95 9.002 7.075 1.927 1
1 1109 . 10 1 1 A 95 95 LYS HA H 95 4.076 4.178 -0.102 1
1 1118 . 10 1 1 A 95 95 LYS C C 95 174.890 176.712 -1.822 1
1 1119 . 10 1 1 A 95 95 LYS CA C 95 57.782 58.330 -0.548 1
1 1120 . 10 1 1 A 95 95 LYS CB C 95 34.056 33.156 0.900 1
1 1124 . 10 1 1 A 95 95 LYS N N 95 123.753 117.935 5.818 1
1 1125 . 10 1 1 A 96 96 CYS H H 96 9.063 7.548 1.515 1
1 1126 . 10 1 1 A 96 96 CYS HA H 96 4.755 4.581 0.174 1
1 1129 . 10 1 1 A 96 96 CYS C C 96 174.775 174.261 0.514 1
1 1130 . 10 1 1 A 96 96 CYS CA C 96 58.756 57.269 1.487 1
1 1131 . 10 1 1 A 96 96 CYS CB C 96 32.066 29.369 2.697 1
1 1132 . 10 1 1 A 96 96 CYS N N 96 120.699 115.521 5.178 1
1 1133 . 10 1 1 A 97 97 HIS H H 97 7.541 8.683 -1.142 1
1 1134 . 10 1 1 A 97 97 HIS HA H 97 4.474 4.687 -0.213 1
1 1139 . 10 1 1 A 97 97 HIS C C 97 178.193 174.115 4.078 1
1 1140 . 10 1 1 A 97 97 HIS CA C 97 57.481 54.482 2.999 1
1 1141 . 10 1 1 A 97 97 HIS CB C 97 27.126 27.405 -0.279 1
1 1144 . 10 1 1 A 97 97 HIS N N 97 116.676 123.653 -6.977 1
1 1147 . 10 1 1 A 98 98 SER H H 98 8.775 7.824 0.951 1
1 1148 . 10 1 1 A 98 98 SER HA H 98 4.322 5.158 -0.836 1
1 1151 . 10 1 1 A 98 98 SER C C 98 176.432 173.580 2.852 1
1 1152 . 10 1 1 A 98 98 SER CA C 98 58.923 57.346 1.577 1
1 1153 . 10 1 1 A 98 98 SER CB C 98 64.790 66.673 -1.883 1
1 1154 . 10 1 1 A 98 98 SER N N 98 116.989 115.518 1.471 1
1 1155 . 10 1 1 A 99 99 LYS H H 99 8.567 8.691 -0.124 1
1 1156 . 10 1 1 A 99 99 LYS HA H 99 4.935 4.727 0.208 1
1 1165 . 10 1 1 A 99 99 LYS C C 99 173.648 177.086 -3.438 1
1 1166 . 10 1 1 A 99 99 LYS CA C 99 56.417 55.698 0.719 1
1 1167 . 10 1 1 A 99 99 LYS CB C 99 32.366 32.354 0.012 1
1 1171 . 10 1 1 A 99 99 LYS N N 99 122.510 120.713 1.797 1
1 1172 . 10 1 1 A 100 100 ASN H H 100 9.426 8.394 1.032 1
1 1173 . 10 1 1 A 100 100 ASN HA H 100 4.916 4.555 0.361 1
1 1178 . 10 1 1 A 100 100 ASN C C 100 178.498 175.538 2.960 1
1 1179 . 10 1 1 A 100 100 ASN CA C 100 51.999 53.796 -1.797 1
1 1180 . 10 1 1 A 100 100 ASN CB C 100 36.539 37.753 -1.214 1
1 1181 . 10 1 1 A 100 100 ASN N N 100 124.489 118.489 6.000 1
1 1183 . 10 1 1 A 101 101 VAL H H 101 7.627 7.443 0.184 1
1 1184 . 10 1 1 A 101 101 VAL HA H 101 5.329 4.134 1.195 1
1 1192 . 10 1 1 A 101 101 VAL C C 101 175.484 176.009 -0.525 1
1 1193 . 10 1 1 A 101 101 VAL CA C 101 58.253 62.250 -3.997 1
1 1194 . 10 1 1 A 101 101 VAL CB C 101 34.692 32.319 2.373 1
1 1197 . 10 1 1 A 101 101 VAL N N 101 112.585 119.456 -6.871 1
1 1198 . 10 1 1 A 102 102 ILE H H 102 9.032 8.816 0.216 1
1 1199 . 10 1 1 A 102 102 ILE HA H 102 4.671 4.822 -0.151 1
1 1209 . 10 1 1 A 102 102 ILE C C 102 177.283 174.456 2.827 1
1 1210 . 10 1 1 A 102 102 ILE CA C 102 58.979 58.572 0.407 1
1 1211 . 10 1 1 A 102 102 ILE CB C 102 41.970 41.871 0.099 1
1 1215 . 10 1 1 A 102 102 ILE N N 102 119.819 120.494 -0.675 1
1 1216 . 10 1 1 A 103 103 ILE H H 103 8.364 8.899 -0.535 1
1 1217 . 10 1 1 A 103 103 ILE HA H 103 4.527 4.252 0.275 1
1 1227 . 10 1 1 A 103 103 ILE C C 103 174.186 176.445 -2.259 1
1 1228 . 10 1 1 A 103 103 ILE CA C 103 61.366 61.305 0.061 1
1 1229 . 10 1 1 A 103 103 ILE CB C 103 38.577 36.893 1.684 1
1 1233 . 10 1 1 A 103 103 ILE N N 103 123.325 125.021 -1.696 1
1 1234 . 10 1 1 A 104 104 THR H H 104 8.796 8.886 -0.090 1
1 1235 . 10 1 1 A 104 104 THR HA H 104 4.260 4.334 -0.074 1
1 1240 . 10 1 1 A 104 104 THR C C 104 176.317 173.841 2.476 1
1 1241 . 10 1 1 A 104 104 THR CA C 104 62.708 63.533 -0.825 1
1 1242 . 10 1 1 A 104 104 THR CB C 104 68.431 69.555 -1.124 1
1 1244 . 10 1 1 A 104 104 THR N N 104 120.825 123.558 -2.733 1
1 1245 . 10 1 1 A 105 105 GLN H H 105 7.705 7.747 -0.042 1
1 1246 . 10 1 1 A 105 105 GLN HA H 105 4.482 4.554 -0.072 1
1 1253 . 10 1 1 A 105 105 GLN C C 105 177.316 175.209 2.107 1
1 1254 . 10 1 1 A 105 105 GLN CA C 105 55.621 55.514 0.107 1
1 1255 . 10 1 1 A 105 105 GLN CB C 105 31.897 31.481 0.416 1
1 1257 . 10 1 1 A 105 105 GLN N N 105 118.599 120.113 -1.514 1
1 1259 . 10 1 1 A 106 106 GLY H H 106 9.091 8.877 0.214 1
1 1260 . 10 1 1 A 106 106 GLY HA2 H 106 3.472 3.962 -0.490 1
1 1261 . 10 1 1 A 106 106 GLY HA3 H 106 4.255 3.963 0.292 1
1 1262 . 10 1 1 A 106 106 GLY C C 106 178.226 175.257 2.969 1
1 1263 . 10 1 1 A 106 106 GLY CA C 106 45.497 46.126 -0.629 1
1 1264 . 10 1 1 A 106 106 GLY N N 106 106.938 114.905 -7.967 1
1 1265 . 10 1 1 A 107 107 ASN H H 107 8.542 7.961 0.581 1
1 1266 . 10 1 1 A 107 107 ASN HA H 107 4.670 4.358 0.312 1
1 1271 . 10 1 1 A 107 107 ASN C C 107 176.917 175.035 1.882 1
1 1272 . 10 1 1 A 107 107 ASN CA C 107 52.697 55.825 -3.128 1
1 1273 . 10 1 1 A 107 107 ASN CB C 107 39.745 39.258 0.487 1
1 1274 . 10 1 1 A 107 107 ASN N N 107 117.838 120.046 -2.208 1
1 1276 . 10 1 1 A 108 108 GLU H H 108 8.050 7.636 0.414 1
1 1277 . 10 1 1 A 108 108 GLU HA H 108 4.638 4.584 0.054 1
1 1282 . 10 1 1 A 108 108 GLU C C 108 176.463 174.368 2.095 1
1 1283 . 10 1 1 A 108 108 GLU CA C 108 55.693 54.955 0.738 1
1 1284 . 10 1 1 A 108 108 GLU CB C 108 32.643 32.360 0.283 1
1 1286 . 10 1 1 A 108 108 GLU N N 108 118.542 114.467 4.075 1
1 1287 . 10 1 1 A 109 109 MET H H 109 8.431 8.559 -0.128 1
1 1288 . 10 1 1 A 109 109 MET HA H 109 5.236 4.512 0.724 1
1 1296 . 10 1 1 A 109 109 MET C C 109 176.443 175.466 0.977 1
1 1297 . 10 1 1 A 109 109 MET CA C 109 54.801 56.055 -1.254 1
1 1298 . 10 1 1 A 109 109 MET CB C 109 33.115 33.197 -0.082 1
1 1301 . 10 1 1 A 109 109 MET N N 109 121.401 121.499 -0.098 1
1 1302 . 10 1 1 A 110 110 ARG H H 110 9.166 8.860 0.306 1
1 1303 . 10 1 1 A 110 110 ARG HA H 110 4.771 5.001 -0.230 1
1 1311 . 10 1 1 A 110 110 ARG C C 110 177.215 174.924 2.291 1
1 1312 . 10 1 1 A 110 110 ARG CA C 110 54.826 54.285 0.541 1
1 1313 . 10 1 1 A 110 110 ARG CB C 110 33.474 33.860 -0.386 1
1 1316 . 10 1 1 A 110 110 ARG N N 110 123.271 121.529 1.742 1
1 1318 . 10 1 1 A 111 111 LEU H H 111 8.874 8.529 0.345 1
1 1319 . 10 1 1 A 111 111 LEU HA H 111 4.335 4.412 -0.077 1
1 1329 . 10 1 1 A 111 111 LEU C C 111 175.976 176.743 -0.767 1
1 1330 . 10 1 1 A 111 111 LEU CA C 111 55.633 54.858 0.775 1
1 1331 . 10 1 1 A 111 111 LEU CB C 111 42.413 43.029 -0.616 1
1 1335 . 10 1 1 A 111 111 LEU N N 111 125.212 118.984 6.228 1
1 1336 . 10 1 1 A 112 112 LEU HA H 112 4.432 4.401 0.031 1
1 1346 . 10 1 1 A 112 112 LEU C C 112 173.898 176.661 -2.763 1
1 1347 . 10 1 1 A 112 112 LEU CA C 112 56.230 55.980 0.250 1
1 1348 . 10 1 1 A 112 112 LEU CB C 112 42.688 42.941 -0.253 1
1 1352 . 10 1 1 A 113 113 SER H H 113 7.895 7.650 0.245 1
1 1353 . 10 1 1 A 113 113 SER HA H 113 4.509 4.857 -0.348 1
1 1356 . 10 1 1 A 113 113 SER C C 113 180.240 172.387 7.853 1
1 1357 . 10 1 1 A 113 113 SER CA C 113 58.129 57.640 0.489 1
1 1358 . 10 1 1 A 113 113 SER CB C 113 64.473 67.235 -2.762 1
1 1359 . 10 1 1 A 113 113 SER N N 113 110.894 111.033 -0.139 1
1 1360 . 10 1 1 A 114 114 LEU H H 114 8.151 8.679 -0.528 1
1 1361 . 10 1 1 A 114 114 LEU HA H 114 5.086 5.199 -0.113 1
1 1371 . 10 1 1 A 114 114 LEU C C 114 175.777 175.651 0.126 1
1 1372 . 10 1 1 A 114 114 LEU CA C 114 53.830 53.215 0.615 1
1 1373 . 10 1 1 A 114 114 LEU CB C 114 46.471 45.701 0.770 1
1 1377 . 10 1 1 A 114 114 LEU N N 114 120.671 122.316 -1.645 1
1 1378 . 10 1 1 A 115 115 GLU H H 115 8.666 8.863 -0.197 1
1 1379 . 10 1 1 A 115 115 GLU HA H 115 4.823 5.055 -0.232 1
1 1384 . 10 1 1 A 115 115 GLU C C 115 175.727 174.575 1.152 1
1 1385 . 10 1 1 A 115 115 GLU CA C 115 55.127 55.295 -0.168 1
1 1386 . 10 1 1 A 115 115 GLU CB C 115 31.063 32.693 -1.630 1
1 1388 . 10 1 1 A 115 115 GLU N N 115 122.105 121.428 0.677 1
1 1389 . 10 1 1 A 116 116 MET H H 116 9.159 8.887 0.272 1
1 1390 . 10 1 1 A 116 116 MET HA H 116 4.989 5.375 -0.386 1
1 1398 . 10 1 1 A 116 116 MET C C 116 177.447 175.220 2.227 1
1 1399 . 10 1 1 A 116 116 MET CA C 116 54.669 53.635 1.034 1
1 1400 . 10 1 1 A 116 116 MET CB C 116 36.107 34.721 1.386 1
1 1403 . 10 1 1 A 116 116 MET N N 116 123.947 125.153 -1.206 1
1 1404 . 10 1 1 A 117 117 LEU H H 117 8.573 8.659 -0.086 1
1 1405 . 10 1 1 A 117 117 LEU HA H 117 4.670 4.397 0.273 1
1 1412 . 10 1 1 A 117 117 LEU C C 117 175.990 175.942 0.048 1
1 1413 . 10 1 1 A 117 117 LEU CA C 117 54.549 54.106 0.443 1
1 1414 . 10 1 1 A 117 117 LEU CB C 117 44.045 43.424 0.621 1
1 1417 . 10 1 1 A 117 117 LEU N N 117 122.478 121.063 1.415 1
1 1418 . 10 1 1 A 118 118 ALA H H 118 8.714 8.590 0.124 1
1 1419 . 10 1 1 A 118 118 ALA HA H 118 4.604 4.466 0.138 1
1 1423 . 10 1 1 A 118 118 ALA C C 118 175.279 177.816 -2.537 1
1 1424 . 10 1 1 A 118 118 ALA CA C 118 52.155 53.263 -1.108 1
1 1425 . 10 1 1 A 118 118 ALA CB C 118 20.444 20.048 0.396 1
1 1426 . 10 1 1 A 118 118 ALA N N 118 127.701 121.455 6.246 1
1 4 . 11 1 1 A 2 2 SER HA H 2 4.544 4.567 -0.023 1
1 7 . 11 1 1 A 2 2 SER CA C 2 58.424 59.230 -0.806 1
1 8 . 11 1 1 A 2 2 SER CB C 2 64.017 62.304 1.713 1
1 13 . 11 1 1 A 4 4 HIS HA H 4 4.504 4.662 -0.158 1
1 17 . 11 1 1 A 4 4 HIS C C 4 175.043 176.948 -1.905 1
1 18 . 11 1 1 A 4 4 HIS CA C 4 58.574 57.374 1.200 1
1 19 . 11 1 1 A 4 4 HIS CB C 4 30.859 31.270 -0.411 1
1 20 . 11 1 1 A 5 5 GLU H H 5 10.002 8.483 1.519 1
1 21 . 11 1 1 A 5 5 GLU HA H 5 3.831 3.862 -0.031 1
1 26 . 11 1 1 A 5 5 GLU C C 5 173.758 177.078 -3.320 1
1 27 . 11 1 1 A 5 5 GLU CA C 5 61.822 58.942 2.880 1
1 28 . 11 1 1 A 5 5 GLU CB C 5 28.884 28.994 -0.110 1
1 30 . 11 1 1 A 5 5 GLU N N 5 120.850 117.876 2.974 1
1 31 . 11 1 1 A 6 6 TYR H H 6 8.163 7.475 0.688 1
1 32 . 11 1 1 A 6 6 TYR HA H 6 4.066 4.452 -0.386 1
1 39 . 11 1 1 A 6 6 TYR C C 6 173.754 177.446 -3.692 1
1 40 . 11 1 1 A 6 6 TYR CA C 6 61.029 59.878 1.151 1
1 41 . 11 1 1 A 6 6 TYR CB C 6 37.391 37.564 -0.173 1
1 44 . 11 1 1 A 6 6 TYR N N 6 117.171 118.829 -1.658 1
1 45 . 11 1 1 A 7 7 SER H H 7 7.929 7.774 0.155 1
1 46 . 11 1 1 A 7 7 SER HA H 7 4.265 4.155 0.110 1
1 49 . 11 1 1 A 7 7 SER C C 7 174.434 176.380 -1.946 1
1 50 . 11 1 1 A 7 7 SER CA C 7 61.471 62.113 -0.642 1
1 51 . 11 1 1 A 7 7 SER CB C 7 62.686 62.850 -0.164 1
1 52 . 11 1 1 A 7 7 SER N N 7 116.417 116.486 -0.069 1
1 53 . 11 1 1 A 8 8 VAL H H 8 8.088 7.969 0.119 1
1 54 . 11 1 1 A 8 8 VAL HA H 8 3.795 3.623 0.172 1
1 62 . 11 1 1 A 8 8 VAL C C 8 172.652 178.208 -5.556 1
1 63 . 11 1 1 A 8 8 VAL CA C 8 66.036 66.863 -0.827 1
1 64 . 11 1 1 A 8 8 VAL CB C 8 31.811 31.797 0.014 1
1 67 . 11 1 1 A 8 8 VAL N N 8 122.514 122.260 0.254 1
1 68 . 11 1 1 A 9 9 VAL H H 9 8.255 8.197 0.058 1
1 69 . 11 1 1 A 9 9 VAL HA H 9 3.539 3.752 -0.213 1
1 77 . 11 1 1 A 9 9 VAL C C 9 174.142 178.294 -4.152 1
1 78 . 11 1 1 A 9 9 VAL CA C 9 67.201 66.992 0.209 1
1 79 . 11 1 1 A 9 9 VAL CB C 9 30.859 31.553 -0.694 1
1 82 . 11 1 1 A 9 9 VAL N N 9 120.829 120.378 0.451 1
1 83 . 11 1 1 A 10 10 SER H H 10 8.179 8.064 0.115 1
1 84 . 11 1 1 A 10 10 SER HA H 10 3.726 3.919 -0.193 1
1 87 . 11 1 1 A 10 10 SER C C 10 173.669 176.209 -2.540 1
1 88 . 11 1 1 A 10 10 SER CA C 10 62.397 61.992 0.405 1
1 89 . 11 1 1 A 10 10 SER CB C 10 62.470 62.416 0.054 1
1 90 . 11 1 1 A 10 10 SER N N 10 115.937 115.498 0.439 1
1 91 . 11 1 1 A 11 11 SER H H 11 7.860 7.858 0.002 1
1 92 . 11 1 1 A 11 11 SER HA H 11 4.312 4.186 0.126 1
1 95 . 11 1 1 A 11 11 SER C C 11 174.888 177.603 -2.715 1
1 96 . 11 1 1 A 11 11 SER CA C 11 61.863 61.594 0.269 1
1 97 . 11 1 1 A 11 11 SER CB C 11 62.638 63.028 -0.390 1
1 98 . 11 1 1 A 11 11 SER N N 11 117.940 116.631 1.309 1
1 99 . 11 1 1 A 12 12 LEU H H 12 8.197 8.324 -0.127 1
1 100 . 11 1 1 A 12 12 LEU HA H 12 4.331 4.051 0.280 1
1 110 . 11 1 1 A 12 12 LEU C C 12 172.791 179.200 -6.409 1
1 111 . 11 1 1 A 12 12 LEU CA C 12 58.035 58.263 -0.228 1
1 112 . 11 1 1 A 12 12 LEU CB C 12 42.062 41.880 0.182 1
1 116 . 11 1 1 A 12 12 LEU N N 12 125.411 121.929 3.482 1
1 117 . 11 1 1 A 13 13 ILE H H 13 8.689 8.199 0.490 1
1 118 . 11 1 1 A 13 13 ILE HA H 13 3.654 3.594 0.060 1
1 128 . 11 1 1 A 13 13 ILE C C 13 173.945 177.570 -3.625 1
1 129 . 11 1 1 A 13 13 ILE CA C 13 65.287 65.932 -0.645 1
1 130 . 11 1 1 A 13 13 ILE CB C 13 36.843 37.664 -0.821 1
1 134 . 11 1 1 A 13 13 ILE N N 13 121.352 120.068 1.284 1
1 135 . 11 1 1 A 14 14 ALA H H 14 7.692 8.261 -0.569 1
1 136 . 11 1 1 A 14 14 ALA HA H 14 4.218 3.984 0.234 1
1 140 . 11 1 1 A 14 14 ALA C C 14 170.805 180.002 -9.197 1
1 141 . 11 1 1 A 14 14 ALA CA C 14 55.484 55.216 0.268 1
1 142 . 11 1 1 A 14 14 ALA CB C 14 17.698 18.151 -0.453 1
1 143 . 11 1 1 A 14 14 ALA N N 14 121.374 122.614 -1.240 1
1 144 . 11 1 1 A 15 15 LEU H H 15 8.040 8.328 -0.288 1
1 145 . 11 1 1 A 15 15 LEU HA H 15 4.253 4.110 0.143 1
1 152 . 11 1 1 A 15 15 LEU C C 15 171.818 178.334 -6.516 1
1 153 . 11 1 1 A 15 15 LEU CA C 15 58.208 57.802 0.406 1
1 154 . 11 1 1 A 15 15 LEU CB C 15 42.286 41.559 0.727 1
1 157 . 11 1 1 A 15 15 LEU N N 15 121.328 119.836 1.492 1
1 158 . 11 1 1 A 16 16 CYS H H 16 8.587 8.311 0.276 1
1 159 . 11 1 1 A 16 16 CYS HA H 16 3.954 2.947 1.007 1
1 162 . 11 1 1 A 16 16 CYS C C 16 174.494 176.868 -2.374 1
1 163 . 11 1 1 A 16 16 CYS CA C 16 64.933 63.179 1.754 1
1 164 . 11 1 1 A 16 16 CYS CB C 16 26.960 26.872 0.088 1
1 165 . 11 1 1 A 16 16 CYS N N 16 118.908 117.069 1.839 1
1 166 . 11 1 1 A 17 17 GLU H H 17 8.576 8.260 0.316 1
1 167 . 11 1 1 A 17 17 GLU HA H 17 3.806 3.981 -0.175 1
1 172 . 11 1 1 A 17 17 GLU C C 17 172.225 178.719 -6.494 1
1 173 . 11 1 1 A 17 17 GLU CA C 17 60.306 59.669 0.637 1
1 174 . 11 1 1 A 17 17 GLU CB C 17 29.130 29.126 0.004 1
1 176 . 11 1 1 A 17 17 GLU N N 17 118.419 121.835 -3.416 1
1 177 . 11 1 1 A 18 18 GLU H H 18 8.156 8.193 -0.037 1
1 178 . 11 1 1 A 18 18 GLU HA H 18 4.115 4.071 0.044 1
1 183 . 11 1 1 A 18 18 GLU C C 18 172.241 179.003 -6.762 1
1 184 . 11 1 1 A 18 18 GLU CA C 18 59.507 59.507 0.000 1
1 185 . 11 1 1 A 18 18 GLU CB C 18 29.335 29.570 -0.235 1
1 187 . 11 1 1 A 18 18 GLU N N 18 121.603 119.508 2.095 1
1 188 . 11 1 1 A 19 19 HIS H H 19 8.379 8.215 0.164 1
1 189 . 11 1 1 A 19 19 HIS HA H 19 4.174 4.381 -0.207 1
1 194 . 11 1 1 A 19 19 HIS C C 19 172.511 177.271 -4.760 1
1 195 . 11 1 1 A 19 19 HIS CA C 19 60.525 58.909 1.616 1
1 196 . 11 1 1 A 19 19 HIS CB C 19 31.354 28.730 2.624 1
1 198 . 11 1 1 A 19 19 HIS N N 19 119.634 117.722 1.912 1
1 201 . 11 1 1 A 20 20 ALA H H 20 8.568 8.050 0.518 1
1 202 . 11 1 1 A 20 20 ALA HA H 20 4.143 4.244 -0.101 1
1 206 . 11 1 1 A 20 20 ALA C C 20 172.155 179.923 -7.768 1
1 207 . 11 1 1 A 20 20 ALA CA C 20 55.716 54.877 0.839 1
1 208 . 11 1 1 A 20 20 ALA CB C 20 17.682 18.334 -0.652 1
1 209 . 11 1 1 A 20 20 ALA N N 20 122.453 123.581 -1.128 1
1 210 . 11 1 1 A 21 21 LYS H H 21 8.055 7.727 0.328 1
1 211 . 11 1 1 A 21 21 LYS HA H 21 4.128 4.200 -0.072 1
1 220 . 11 1 1 A 21 21 LYS C C 21 170.753 178.898 -8.145 1
1 221 . 11 1 1 A 21 21 LYS CA C 21 59.469 59.143 0.326 1
1 222 . 11 1 1 A 21 21 LYS CB C 21 32.369 32.200 0.169 1
1 226 . 11 1 1 A 21 21 LYS N N 21 118.604 116.450 2.154 1
1 227 . 11 1 1 A 22 22 LYS H H 22 8.092 7.676 0.416 1
1 228 . 11 1 1 A 22 22 LYS HA H 22 4.100 4.078 0.022 1
1 237 . 11 1 1 A 22 22 LYS C C 22 174.300 178.174 -3.874 1
1 238 . 11 1 1 A 22 22 LYS CA C 22 58.920 59.526 -0.606 1
1 239 . 11 1 1 A 22 22 LYS CB C 22 32.406 32.529 -0.123 1
1 243 . 11 1 1 A 22 22 LYS N N 22 119.468 119.779 -0.311 1
1 244 . 11 1 1 A 23 23 ASN H H 23 7.461 8.033 -0.572 1
1 245 . 11 1 1 A 23 23 ASN HA H 23 4.710 4.779 -0.069 1
1 248 . 11 1 1 A 23 23 ASN C C 23 178.526 174.782 3.744 1
1 249 . 11 1 1 A 23 23 ASN CA C 23 53.514 53.306 0.208 1
1 250 . 11 1 1 A 23 23 ASN CB C 23 40.124 39.001 1.123 1
1 251 . 11 1 1 A 23 23 ASN N N 23 115.166 116.819 -1.653 1
1 252 . 11 1 1 A 24 24 GLN H H 24 7.879 7.873 0.006 1
1 253 . 11 1 1 A 24 24 GLN HA H 24 3.927 3.632 0.295 1
1 260 . 11 1 1 A 24 24 GLN C C 24 177.284 175.127 2.157 1
1 261 . 11 1 1 A 24 24 GLN CA C 24 57.083 56.716 0.367 1
1 262 . 11 1 1 A 24 24 GLN CB C 24 26.400 25.958 0.442 1
1 264 . 11 1 1 A 24 24 GLN N N 24 116.046 116.439 -0.393 1
1 266 . 11 1 1 A 25 25 ALA H H 25 8.491 7.916 0.575 1
1 267 . 11 1 1 A 25 25 ALA HA H 25 4.600 4.083 0.517 1
1 271 . 11 1 1 A 25 25 ALA C C 25 174.729 178.121 -3.392 1
1 272 . 11 1 1 A 25 25 ALA CA C 25 51.416 54.266 -2.850 1
1 273 . 11 1 1 A 25 25 ALA CB C 25 21.350 19.430 1.920 1
1 274 . 11 1 1 A 25 25 ALA N N 25 120.372 120.573 -0.201 1
1 275 . 11 1 1 A 26 26 HIS H H 26 8.476 7.792 0.684 1
1 276 . 11 1 1 A 26 26 HIS HA H 26 4.736 4.220 0.516 1
1 280 . 11 1 1 A 26 26 HIS C C 26 176.751 173.988 2.763 1
1 281 . 11 1 1 A 26 26 HIS CA C 26 56.211 57.414 -1.203 1
1 282 . 11 1 1 A 26 26 HIS CB C 26 31.838 27.282 4.556 1
1 284 . 11 1 1 A 26 26 HIS N N 26 117.648 112.278 5.370 1
1 285 . 11 1 1 A 27 27 LYS H H 27 7.540 7.702 -0.162 1
1 286 . 11 1 1 A 27 27 LYS HA H 27 4.766 4.935 -0.169 1
1 295 . 11 1 1 A 27 27 LYS C C 27 176.918 174.619 2.299 1
1 296 . 11 1 1 A 27 27 LYS CA C 27 55.877 54.891 0.986 1
1 297 . 11 1 1 A 27 27 LYS CB C 27 36.796 36.917 -0.121 1
1 301 . 11 1 1 A 27 27 LYS N N 27 116.451 118.379 -1.928 1
1 302 . 11 1 1 A 28 28 ILE H H 28 8.320 8.922 -0.602 1
1 303 . 11 1 1 A 28 28 ILE HA H 28 4.319 5.032 -0.713 1
1 310 . 11 1 1 A 28 28 ILE C C 28 176.921 175.927 0.994 1
1 311 . 11 1 1 A 28 28 ILE CA C 28 60.552 59.634 0.918 1
1 312 . 11 1 1 A 28 28 ILE CB C 28 38.843 41.118 -2.275 1
1 313 . 11 1 1 A 28 28 ILE N N 28 123.140 121.872 1.268 1
1 314 . 11 1 1 A 29 29 GLU H H 29 9.001 9.501 -0.500 1
1 315 . 11 1 1 A 29 29 GLU HA H 29 4.446 4.533 -0.087 1
1 320 . 11 1 1 A 29 29 GLU C C 29 174.406 175.530 -1.124 1
1 321 . 11 1 1 A 29 29 GLU CA C 29 57.363 57.749 -0.386 1
1 322 . 11 1 1 A 29 29 GLU CB C 29 31.761 32.191 -0.430 1
1 324 . 11 1 1 A 29 29 GLU N N 29 125.872 126.172 -0.300 1
1 325 . 11 1 1 A 30 30 ARG H H 30 7.654 7.866 -0.212 1
1 326 . 11 1 1 A 30 30 ARG HA H 30 5.282 4.953 0.329 1
1 334 . 11 1 1 A 30 30 ARG C C 30 178.750 173.800 4.950 1
1 335 . 11 1 1 A 30 30 ARG CA C 30 55.558 55.452 0.106 1
1 336 . 11 1 1 A 30 30 ARG CB C 30 34.774 34.029 0.745 1
1 338 . 11 1 1 A 30 30 ARG N N 30 119.436 118.468 0.968 1
1 340 . 11 1 1 A 31 31 VAL H H 31 9.234 8.739 0.495 1
1 341 . 11 1 1 A 31 31 VAL HA H 31 4.397 4.972 -0.575 1
1 349 . 11 1 1 A 31 31 VAL C C 31 178.662 173.154 5.508 1
1 350 . 11 1 1 A 31 31 VAL CA C 31 60.882 59.605 1.277 1
1 351 . 11 1 1 A 31 31 VAL CB C 31 34.494 35.977 -1.483 1
1 354 . 11 1 1 A 31 31 VAL N N 31 127.428 121.241 6.187 1
1 355 . 11 1 1 A 32 32 VAL H H 32 8.626 8.899 -0.273 1
1 356 . 11 1 1 A 32 32 VAL HA H 32 5.039 4.893 0.146 1
1 364 . 11 1 1 A 32 32 VAL C C 32 175.519 173.995 1.524 1
1 365 . 11 1 1 A 32 32 VAL CA C 32 60.917 61.181 -0.264 1
1 366 . 11 1 1 A 32 32 VAL CB C 32 31.892 33.818 -1.926 1
1 368 . 11 1 1 A 32 32 VAL N N 32 126.581 126.928 -0.347 1
1 369 . 11 1 1 A 33 33 VAL H H 33 8.802 9.176 -0.374 1
1 370 . 11 1 1 A 33 33 VAL HA H 33 4.917 4.691 0.226 1
1 378 . 11 1 1 A 33 33 VAL C C 33 178.038 174.293 3.745 1
1 379 . 11 1 1 A 33 33 VAL CA C 33 58.975 60.277 -1.302 1
1 380 . 11 1 1 A 33 33 VAL CB C 33 35.109 33.919 1.190 1
1 383 . 11 1 1 A 33 33 VAL N N 33 122.994 128.693 -5.699 1
1 384 . 11 1 1 A 34 34 GLY H H 34 9.535 9.207 0.328 1
1 385 . 11 1 1 A 34 34 GLY HA2 H 34 5.187 4.181 1.006 1
1 386 . 11 1 1 A 34 34 GLY HA3 H 34 3.404 4.187 -0.783 1
1 387 . 11 1 1 A 34 34 GLY C C 34 178.060 172.093 5.967 1
1 388 . 11 1 1 A 34 34 GLY CA C 34 44.108 44.600 -0.492 1
1 389 . 11 1 1 A 34 34 GLY N N 34 112.269 114.477 -2.208 1
1 390 . 11 1 1 A 35 35 ILE H H 35 8.761 9.617 -0.856 1
1 391 . 11 1 1 A 35 35 ILE HA H 35 4.340 4.691 -0.351 1
1 401 . 11 1 1 A 35 35 ILE C C 35 174.823 176.296 -1.473 1
1 402 . 11 1 1 A 35 35 ILE CA C 35 60.287 59.325 0.962 1
1 403 . 11 1 1 A 35 35 ILE CB C 35 39.357 40.962 -1.605 1
1 407 . 11 1 1 A 35 35 ILE N N 35 123.848 126.031 -2.183 1
1 408 . 11 1 1 A 36 36 GLY H H 36 8.439 8.591 -0.152 1
1 409 . 11 1 1 A 36 36 GLY HA2 H 36 3.321 4.101 -0.780 1
1 410 . 11 1 1 A 36 36 GLY HA3 H 36 4.444 4.105 0.339 1
1 411 . 11 1 1 A 36 36 GLY C C 36 175.743 174.979 0.764 1
1 412 . 11 1 1 A 36 36 GLY CA C 36 46.389 45.923 0.466 1
1 413 . 11 1 1 A 36 36 GLY N N 36 117.219 114.002 3.217 1
1 414 . 11 1 1 A 37 37 GLU H H 37 8.756 8.741 0.015 1
1 415 . 11 1 1 A 37 37 GLU HA H 37 4.277 4.129 0.148 1
1 420 . 11 1 1 A 37 37 GLU C C 37 174.413 176.529 -2.116 1
1 421 . 11 1 1 A 37 37 GLU CA C 37 58.568 57.911 0.657 1
1 422 . 11 1 1 A 37 37 GLU CB C 37 29.809 28.770 1.039 1
1 424 . 11 1 1 A 37 37 GLU N N 37 124.260 120.544 3.716 1
1 425 . 11 1 1 A 38 38 ARG H H 38 8.483 7.854 0.629 1
1 426 . 11 1 1 A 38 38 ARG HA H 38 4.594 4.498 0.096 1
1 434 . 11 1 1 A 38 38 ARG C C 38 175.250 176.979 -1.729 1
1 435 . 11 1 1 A 38 38 ARG CA C 38 54.916 55.619 -0.703 1
1 436 . 11 1 1 A 38 38 ARG CB C 38 29.706 30.851 -1.145 1
1 439 . 11 1 1 A 38 38 ARG N N 38 117.248 120.047 -2.799 1
1 441 . 11 1 1 A 39 39 SER H H 39 7.630 7.609 0.021 1
1 442 . 11 1 1 A 39 39 SER HA H 39 4.139 4.456 -0.317 1
1 445 . 11 1 1 A 39 39 SER C C 39 176.694 173.628 3.066 1
1 446 . 11 1 1 A 39 39 SER CA C 39 59.524 59.762 -0.238 1
1 447 . 11 1 1 A 39 39 SER CB C 39 64.248 63.105 1.143 1
1 448 . 11 1 1 A 39 39 SER N N 39 115.086 114.816 0.270 1
1 449 . 11 1 1 A 40 40 ALA H H 40 8.667 7.989 0.678 1
1 450 . 11 1 1 A 40 40 ALA HA H 40 4.267 4.047 0.220 1
1 454 . 11 1 1 A 40 40 ALA C C 40 174.406 176.353 -1.947 1
1 455 . 11 1 1 A 40 40 ALA CA C 40 52.641 53.933 -1.292 1
1 456 . 11 1 1 A 40 40 ALA CB C 40 17.976 18.258 -0.282 1
1 457 . 11 1 1 A 40 40 ALA N N 40 126.133 122.589 3.544 1
1 458 . 11 1 1 A 41 41 MET H H 41 7.793 7.779 0.014 1
1 459 . 11 1 1 A 41 41 MET HA H 41 4.389 4.382 0.007 1
1 467 . 11 1 1 A 41 41 MET C C 41 176.689 175.229 1.460 1
1 468 . 11 1 1 A 41 41 MET CA C 41 55.965 53.960 2.005 1
1 469 . 11 1 1 A 41 41 MET CB C 41 34.761 32.694 2.067 1
1 472 . 11 1 1 A 41 41 MET N N 41 117.758 118.000 -0.242 1
1 473 . 11 1 1 A 42 42 ASP H H 42 9.667 8.651 1.016 1
1 474 . 11 1 1 A 42 42 ASP HA H 42 4.706 4.712 -0.006 1
1 477 . 11 1 1 A 42 42 ASP C C 42 174.559 177.300 -2.741 1
1 478 . 11 1 1 A 42 42 ASP CA C 42 53.363 54.113 -0.750 1
1 479 . 11 1 1 A 42 42 ASP CB C 42 41.740 41.572 0.168 1
1 480 . 11 1 1 A 42 42 ASP N N 42 125.565 125.750 -0.185 1
1 481 . 11 1 1 A 43 43 LYS H H 43 8.928 8.607 0.321 1
1 482 . 11 1 1 A 43 43 LYS HA H 43 3.752 4.177 -0.425 1
1 491 . 11 1 1 A 43 43 LYS C C 43 173.737 178.576 -4.839 1
1 492 . 11 1 1 A 43 43 LYS CA C 43 60.966 59.271 1.695 1
1 493 . 11 1 1 A 43 43 LYS CB C 43 32.585 31.983 0.602 1
1 497 . 11 1 1 A 43 43 LYS N N 43 127.256 125.883 1.373 1
1 498 . 11 1 1 A 44 44 SER H H 44 8.327 7.772 0.555 1
1 499 . 11 1 1 A 44 44 SER HA H 44 4.009 4.294 -0.285 1
1 502 . 11 1 1 A 44 44 SER C C 44 174.032 177.570 -3.538 1
1 503 . 11 1 1 A 44 44 SER CA C 44 62.461 61.162 1.299 1
1 504 . 11 1 1 A 44 44 SER CB C 44 62.281 62.858 -0.577 1
1 505 . 11 1 1 A 44 44 SER N N 44 114.797 115.216 -0.419 1
1 506 . 11 1 1 A 45 45 LEU H H 45 7.878 8.126 -0.248 1
1 507 . 11 1 1 A 45 45 LEU HA H 45 4.254 4.088 0.166 1
1 517 . 11 1 1 A 45 45 LEU C C 45 172.915 179.010 -6.095 1
1 518 . 11 1 1 A 45 45 LEU CA C 45 57.128 58.515 -1.387 1
1 519 . 11 1 1 A 45 45 LEU CB C 45 41.738 41.928 -0.190 1
1 523 . 11 1 1 A 45 45 LEU N N 45 124.570 122.748 1.822 1
1 524 . 11 1 1 A 46 46 PHE H H 46 8.343 8.437 -0.094 1
1 525 . 11 1 1 A 46 46 PHE HA H 46 3.882 4.125 -0.243 1
1 532 . 11 1 1 A 46 46 PHE C C 46 175.104 177.110 -2.006 1
1 533 . 11 1 1 A 46 46 PHE CA C 46 61.820 61.509 0.311 1
1 534 . 11 1 1 A 46 46 PHE CB C 46 40.047 39.322 0.725 1
1 537 . 11 1 1 A 46 46 PHE N N 46 121.059 119.665 1.394 1
1 538 . 11 1 1 A 47 47 VAL H H 47 8.370 8.244 0.126 1
1 539 . 11 1 1 A 47 47 VAL HA H 47 3.466 3.379 0.087 1
1 547 . 11 1 1 A 47 47 VAL C C 47 173.353 177.811 -4.458 1
1 548 . 11 1 1 A 47 47 VAL CA C 47 67.220 64.449 2.771 1
1 549 . 11 1 1 A 47 47 VAL CB C 47 31.927 31.183 0.744 1
1 552 . 11 1 1 A 47 47 VAL N N 47 118.023 119.167 -1.144 1
1 553 . 11 1 1 A 48 48 SER H H 48 7.967 8.105 -0.138 1
1 554 . 11 1 1 A 48 48 SER HA H 48 4.268 4.074 0.194 1
1 557 . 11 1 1 A 48 48 SER C C 48 174.187 177.120 -2.933 1
1 558 . 11 1 1 A 48 48 SER CA C 48 61.789 61.547 0.242 1
1 559 . 11 1 1 A 48 48 SER CB C 48 62.761 63.073 -0.312 1
1 560 . 11 1 1 A 48 48 SER N N 48 114.372 116.828 -2.456 1
1 561 . 11 1 1 A 49 49 ALA H H 49 8.489 7.825 0.664 1
1 562 . 11 1 1 A 49 49 ALA HA H 49 3.931 4.220 -0.289 1
1 566 . 11 1 1 A 49 49 ALA C C 49 172.626 179.415 -6.789 1
1 567 . 11 1 1 A 49 49 ALA CA C 49 55.067 55.030 0.037 1
1 568 . 11 1 1 A 49 49 ALA CB C 49 17.587 18.603 -1.016 1
1 569 . 11 1 1 A 49 49 ALA N N 49 124.199 123.390 0.809 1
1 570 . 11 1 1 A 50 50 PHE H H 50 8.510 8.176 0.334 1
1 571 . 11 1 1 A 50 50 PHE HA H 50 3.763 4.094 -0.331 1
1 578 . 11 1 1 A 50 50 PHE C C 50 174.923 177.725 -2.802 1
1 579 . 11 1 1 A 50 50 PHE CA C 50 63.098 61.601 1.497 1
1 580 . 11 1 1 A 50 50 PHE CB C 50 39.465 39.170 0.295 1
1 583 . 11 1 1 A 50 50 PHE N N 50 120.967 119.615 1.352 1
1 584 . 11 1 1 A 51 51 GLU H H 51 8.561 8.710 -0.149 1
1 585 . 11 1 1 A 51 51 GLU HA H 51 3.717 3.915 -0.198 1
1 590 . 11 1 1 A 51 51 GLU C C 51 173.002 179.182 -6.180 1
1 591 . 11 1 1 A 51 51 GLU CA C 51 59.750 59.332 0.418 1
1 592 . 11 1 1 A 51 51 GLU CB C 51 29.330 29.119 0.211 1
1 594 . 11 1 1 A 51 51 GLU N N 51 116.915 117.591 -0.676 1
1 595 . 11 1 1 A 52 52 THR H H 52 7.759 7.644 0.115 1
1 596 . 11 1 1 A 52 52 THR HA H 52 4.090 3.915 0.175 1
1 601 . 11 1 1 A 52 52 THR C C 52 174.897 176.529 -1.632 1
1 602 . 11 1 1 A 52 52 THR CA C 52 65.899 66.399 -0.500 1
1 603 . 11 1 1 A 52 52 THR CB C 52 69.172 68.917 0.255 1
1 605 . 11 1 1 A 52 52 THR N N 52 114.348 117.365 -3.017 1
1 606 . 11 1 1 A 53 53 PHE H H 53 8.725 8.296 0.429 1
1 607 . 11 1 1 A 53 53 PHE HA H 53 4.335 4.343 -0.008 1
1 614 . 11 1 1 A 53 53 PHE C C 53 172.389 178.140 -5.751 1
1 615 . 11 1 1 A 53 53 PHE CA C 53 60.011 61.455 -1.444 1
1 616 . 11 1 1 A 53 53 PHE CB C 53 38.244 37.838 0.406 1
1 619 . 11 1 1 A 53 53 PHE N N 53 120.493 118.918 1.575 1
1 620 . 11 1 1 A 54 54 ARG H H 54 8.579 8.200 0.379 1
1 621 . 11 1 1 A 54 54 ARG HA H 54 3.626 3.871 -0.245 1
1 625 . 11 1 1 A 54 54 ARG C C 54 175.195 177.607 -2.412 1
1 626 . 11 1 1 A 54 54 ARG CA C 54 59.252 58.256 0.996 1
1 627 . 11 1 1 A 54 54 ARG CB C 54 26.544 29.242 -2.698 1
1 629 . 11 1 1 A 54 54 ARG N N 54 119.132 118.137 0.995 1
1 631 . 11 1 1 A 55 55 GLU H H 55 6.758 7.902 -1.144 1
1 632 . 11 1 1 A 55 55 GLU HA H 55 3.983 4.024 -0.041 1
1 637 . 11 1 1 A 55 55 GLU C C 55 174.356 179.736 -5.380 1
1 638 . 11 1 1 A 55 55 GLU CA C 55 58.002 59.150 -1.148 1
1 639 . 11 1 1 A 55 55 GLU CB C 55 29.865 29.163 0.702 1
1 641 . 11 1 1 A 55 55 GLU N N 55 115.466 118.516 -3.050 1
1 642 . 11 1 1 A 56 56 GLU H H 56 7.245 8.003 -0.758 1
1 643 . 11 1 1 A 56 56 GLU HA H 56 4.294 4.038 0.256 1
1 648 . 11 1 1 A 56 56 GLU C C 56 175.946 177.148 -1.202 1
1 649 . 11 1 1 A 56 56 GLU CA C 56 55.827 59.252 -3.425 1
1 650 . 11 1 1 A 56 56 GLU CB C 56 30.030 29.329 0.701 1
1 652 . 11 1 1 A 56 56 GLU N N 56 114.653 120.275 -5.622 1
1 653 . 11 1 1 A 57 57 SER H H 57 7.405 7.459 -0.054 1
1 654 . 11 1 1 A 57 57 SER HA H 57 4.707 4.487 0.220 1
1 657 . 11 1 1 A 57 57 SER C C 57 176.895 174.084 2.811 1
1 658 . 11 1 1 A 57 57 SER CA C 57 55.456 57.010 -1.554 1
1 659 . 11 1 1 A 57 57 SER CB C 57 64.059 65.239 -1.180 1
1 660 . 11 1 1 A 57 57 SER N N 57 114.312 115.813 -1.501 1
1 661 . 11 1 1 A 58 58 LEU H H 58 8.819 8.624 0.195 1
1 662 . 11 1 1 A 58 58 LEU HA H 58 4.120 4.333 -0.213 1
1 672 . 11 1 1 A 58 58 LEU C C 58 172.006 178.832 -6.826 1
1 673 . 11 1 1 A 58 58 LEU CA C 58 58.438 56.642 1.796 1
1 674 . 11 1 1 A 58 58 LEU CB C 58 41.839 42.832 -0.993 1
1 678 . 11 1 1 A 58 58 LEU N N 58 129.477 125.670 3.807 1
1 679 . 11 1 1 A 59 59 VAL H H 59 7.929 7.597 0.332 1
1 680 . 11 1 1 A 59 59 VAL HA H 59 4.305 3.948 0.357 1
1 688 . 11 1 1 A 59 59 VAL C C 59 173.624 177.918 -4.294 1
1 689 . 11 1 1 A 59 59 VAL CA C 59 64.028 64.668 -0.640 1
1 690 . 11 1 1 A 59 59 VAL CB C 59 33.135 31.590 1.545 1
1 693 . 11 1 1 A 59 59 VAL N N 59 112.367 113.699 -1.332 1
1 694 . 11 1 1 A 60 60 CYS H H 60 7.786 8.056 -0.270 1
1 695 . 11 1 1 A 60 60 CYS HA H 60 4.589 4.331 0.258 1
1 698 . 11 1 1 A 60 60 CYS C C 60 176.508 176.840 -0.332 1
1 699 . 11 1 1 A 60 60 CYS CA C 60 59.907 61.657 -1.750 1
1 700 . 11 1 1 A 60 60 CYS CB C 60 28.211 27.346 0.865 1
1 701 . 11 1 1 A 60 60 CYS N N 60 115.412 120.605 -5.193 1
1 702 . 11 1 1 A 61 61 LYS H H 61 7.415 7.971 -0.556 1
1 703 . 11 1 1 A 61 61 LYS HA H 61 3.820 3.995 -0.175 1
1 712 . 11 1 1 A 61 61 LYS C C 61 175.812 177.250 -1.438 1
1 713 . 11 1 1 A 61 61 LYS CA C 61 60.389 59.641 0.748 1
1 714 . 11 1 1 A 61 61 LYS CB C 61 32.606 32.295 0.311 1
1 718 . 11 1 1 A 61 61 LYS N N 61 120.942 120.059 0.883 1
1 719 . 11 1 1 A 62 62 ASP C C 62 175.254 174.393 0.861 1
1 720 . 11 1 1 A 62 62 ASP CA C 62 55.159 53.323 1.836 1
1 721 . 11 1 1 A 62 62 ASP CB C 62 42.358 39.362 2.996 1
1 722 . 11 1 1 A 64 64 ILE H H 64 7.784 8.725 -0.941 1
1 723 . 11 1 1 A 64 64 ILE HA H 64 4.126 4.919 -0.793 1
1 733 . 11 1 1 A 64 64 ILE C C 64 177.456 174.430 3.026 1
1 734 . 11 1 1 A 64 64 ILE CA C 64 60.516 60.010 0.506 1
1 735 . 11 1 1 A 64 64 ILE CB C 64 39.990 42.508 -2.518 1
1 739 . 11 1 1 A 64 64 ILE N N 64 122.653 119.327 3.326 1
1 740 . 11 1 1 A 65 65 LEU H H 65 8.357 8.988 -0.631 1
1 741 . 11 1 1 A 65 65 LEU HA H 65 4.858 5.064 -0.206 1
1 751 . 11 1 1 A 65 65 LEU C C 65 176.625 174.807 1.818 1
1 752 . 11 1 1 A 65 65 LEU CA C 65 53.315 53.316 -0.001 1
1 753 . 11 1 1 A 65 65 LEU CB C 65 43.307 44.380 -1.073 1
1 757 . 11 1 1 A 65 65 LEU N N 65 128.311 128.808 -0.497 1
1 758 . 11 1 1 A 66 66 ASP H H 66 9.088 9.323 -0.235 1
1 759 . 11 1 1 A 66 66 ASP HA H 66 5.009 5.086 -0.077 1
1 762 . 11 1 1 A 66 66 ASP C C 66 177.504 175.322 2.182 1
1 763 . 11 1 1 A 66 66 ASP CA C 66 53.137 53.912 -0.775 1
1 764 . 11 1 1 A 66 66 ASP CB C 66 44.234 43.104 1.130 1
1 765 . 11 1 1 A 66 66 ASP N N 66 129.457 126.913 2.544 1
1 766 . 11 1 1 A 67 67 ILE H H 67 8.240 8.750 -0.510 1
1 767 . 11 1 1 A 67 67 ILE HA H 67 4.759 4.843 -0.084 1
1 777 . 11 1 1 A 67 67 ILE C C 67 175.569 175.488 0.081 1
1 778 . 11 1 1 A 67 67 ILE CA C 67 59.640 60.091 -0.451 1
1 779 . 11 1 1 A 67 67 ILE CB C 67 39.948 40.140 -0.192 1
1 783 . 11 1 1 A 67 67 ILE N N 67 120.821 122.952 -2.131 1
1 784 . 11 1 1 A 68 68 VAL H H 68 9.310 9.247 0.063 1
1 785 . 11 1 1 A 68 68 VAL HA H 68 4.149 4.545 -0.396 1
1 793 . 11 1 1 A 68 68 VAL C C 68 176.697 174.840 1.857 1
1 794 . 11 1 1 A 68 68 VAL CA C 68 60.707 60.885 -0.178 1
1 795 . 11 1 1 A 68 68 VAL CB C 68 34.121 35.115 -0.994 1
1 798 . 11 1 1 A 68 68 VAL N N 68 130.182 126.918 3.264 1
1 799 . 11 1 1 A 69 69 ASP H H 69 8.577 8.818 -0.241 1
1 800 . 11 1 1 A 69 69 ASP HA H 69 4.847 4.973 -0.126 1
1 803 . 11 1 1 A 69 69 ASP C C 69 175.713 175.483 0.230 1
1 804 . 11 1 1 A 69 69 ASP CA C 69 54.357 54.216 0.141 1
1 805 . 11 1 1 A 69 69 ASP CB C 69 41.353 40.514 0.839 1
1 806 . 11 1 1 A 69 69 ASP N N 69 127.151 128.501 -1.350 1
1 807 . 11 1 1 A 70 70 GLU H H 70 7.857 8.744 -0.887 1
1 808 . 11 1 1 A 70 70 GLU HA H 70 4.563 4.396 0.167 1
1 813 . 11 1 1 A 70 70 GLU C C 70 176.179 176.727 -0.548 1
1 814 . 11 1 1 A 70 70 GLU CA C 70 56.333 57.034 -0.701 1
1 815 . 11 1 1 A 70 70 GLU CB C 70 31.503 30.453 1.050 1
1 817 . 11 1 1 A 70 70 GLU N N 70 123.503 123.962 -0.459 1
1 818 . 11 1 1 A 71 71 LYS H H 71 8.517 8.429 0.088 1
1 819 . 11 1 1 A 71 71 LYS HA H 71 4.261 4.506 -0.245 1
1 828 . 11 1 1 A 71 71 LYS C C 71 175.084 176.374 -1.290 1
1 829 . 11 1 1 A 71 71 LYS CA C 71 55.210 56.837 -1.627 1
1 830 . 11 1 1 A 71 71 LYS CB C 71 33.019 33.190 -0.171 1
1 834 . 11 1 1 A 71 71 LYS N N 71 124.197 122.769 1.428 1
1 835 . 11 1 1 A 72 72 VAL H H 72 8.612 8.856 -0.244 1
1 836 . 11 1 1 A 72 72 VAL HA H 72 4.277 5.178 -0.901 1
1 844 . 11 1 1 A 72 72 VAL C C 72 176.529 173.906 2.623 1
1 845 . 11 1 1 A 72 72 VAL CA C 72 63.133 59.072 4.061 1
1 846 . 11 1 1 A 72 72 VAL CB C 72 32.188 35.318 -3.130 1
1 849 . 11 1 1 A 72 72 VAL N N 72 119.616 118.615 1.001 1
1 850 . 11 1 1 A 73 73 GLU H H 73 7.750 8.298 -0.548 1
1 851 . 11 1 1 A 73 73 GLU HA H 73 4.469 4.695 -0.226 1
1 856 . 11 1 1 A 73 73 GLU C C 73 178.456 174.192 4.264 1
1 857 . 11 1 1 A 73 73 GLU CA C 73 55.241 54.879 0.362 1
1 858 . 11 1 1 A 73 73 GLU CB C 73 34.536 34.038 0.498 1
1 860 . 11 1 1 A 73 73 GLU N N 73 126.126 120.701 5.425 1
1 861 . 11 1 1 A 74 74 LEU H H 74 8.495 9.175 -0.680 1
1 862 . 11 1 1 A 74 74 LEU HA H 74 5.207 5.013 0.194 1
1 869 . 11 1 1 A 74 74 LEU C C 74 176.827 176.475 0.352 1
1 870 . 11 1 1 A 74 74 LEU CA C 74 52.600 53.484 -0.884 1
1 871 . 11 1 1 A 74 74 LEU CB C 74 45.404 43.117 2.287 1
1 874 . 11 1 1 A 74 74 LEU N N 74 123.821 126.639 -2.818 1
1 875 . 11 1 1 A 75 75 GLU H H 75 8.770 8.451 0.319 1
1 876 . 11 1 1 A 75 75 GLU HA H 75 5.127 4.201 0.926 1
1 881 . 11 1 1 A 75 75 GLU C C 75 176.617 175.779 0.838 1
1 882 . 11 1 1 A 75 75 GLU CA C 75 53.748 56.021 -2.273 1
1 883 . 11 1 1 A 75 75 GLU CB C 75 33.910 30.441 3.469 1
1 885 . 11 1 1 A 75 75 GLU N N 75 118.723 124.823 -6.100 1
1 886 . 11 1 1 A 76 76 CYS H H 76 9.354 8.463 0.891 1
1 887 . 11 1 1 A 76 76 CYS HA H 76 4.665 4.590 0.075 1
1 890 . 11 1 1 A 76 76 CYS C C 76 173.085 175.650 -2.565 1
1 891 . 11 1 1 A 76 76 CYS CA C 76 59.386 58.501 0.885 1
1 892 . 11 1 1 A 76 76 CYS CB C 76 32.476 28.521 3.955 1
1 893 . 11 1 1 A 76 76 CYS N N 76 128.378 121.410 6.968 1
1 894 . 11 1 1 A 77 77 LYS H H 77 9.328 8.715 0.613 1
1 895 . 11 1 1 A 77 77 LYS HA H 77 4.279 4.132 0.147 1
1 904 . 11 1 1 A 77 77 LYS C C 77 174.709 177.067 -2.358 1
1 905 . 11 1 1 A 77 77 LYS CA C 77 56.997 59.067 -2.070 1
1 906 . 11 1 1 A 77 77 LYS CB C 77 31.240 32.646 -1.406 1
1 910 . 11 1 1 A 77 77 LYS N N 77 129.264 125.233 4.031 1
1 911 . 11 1 1 A 78 78 ASP H H 78 9.182 8.139 1.043 1
1 912 . 11 1 1 A 78 78 ASP HA H 78 4.945 4.869 0.076 1
1 915 . 11 1 1 A 78 78 ASP C C 78 173.961 174.519 -0.558 1
1 916 . 11 1 1 A 78 78 ASP CA C 78 56.797 52.861 3.936 1
1 917 . 11 1 1 A 78 78 ASP CB C 78 42.214 41.264 0.950 1
1 918 . 11 1 1 A 78 78 ASP N N 78 122.206 116.876 5.330 1
1 919 . 11 1 1 A 79 79 CYS H H 79 9.871 8.104 1.767 1
1 920 . 11 1 1 A 79 79 CYS HA H 79 5.165 4.825 0.340 1
1 923 . 11 1 1 A 79 79 CYS C C 79 174.253 173.373 0.880 1
1 924 . 11 1 1 A 79 79 CYS CA C 79 59.123 57.821 1.302 1
1 925 . 11 1 1 A 79 79 CYS CB C 79 32.286 30.436 1.850 1
1 926 . 11 1 1 A 79 79 CYS N N 79 124.020 122.878 1.142 1
1 927 . 11 1 1 A 80 80 SER H H 80 7.667 8.553 -0.886 1
1 928 . 11 1 1 A 80 80 SER HA H 80 4.564 4.804 -0.240 1
1 931 . 11 1 1 A 80 80 SER C C 80 178.621 173.189 5.432 1
1 932 . 11 1 1 A 80 80 SER CA C 80 62.038 57.224 4.814 1
1 933 . 11 1 1 A 80 80 SER CB C 80 62.215 64.171 -1.956 1
1 934 . 11 1 1 A 80 80 SER N N 80 115.904 117.410 -1.506 1
1 935 . 11 1 1 A 81 81 HIS H H 81 8.916 7.584 1.332 1
1 936 . 11 1 1 A 81 81 HIS HA H 81 4.649 4.911 -0.262 1
1 941 . 11 1 1 A 81 81 HIS C C 81 178.299 173.118 5.181 1
1 942 . 11 1 1 A 81 81 HIS CA C 81 58.348 55.795 2.553 1
1 943 . 11 1 1 A 81 81 HIS CB C 81 33.016 33.345 -0.329 1
1 946 . 11 1 1 A 81 81 HIS N N 81 125.397 121.287 4.110 1
1 949 . 11 1 1 A 82 82 VAL H H 82 7.058 8.055 -0.997 1
1 950 . 11 1 1 A 82 82 VAL HA H 82 5.212 4.900 0.312 1
1 958 . 11 1 1 A 82 82 VAL C C 82 176.161 173.914 2.247 1
1 959 . 11 1 1 A 82 82 VAL CA C 82 60.567 59.488 1.079 1
1 960 . 11 1 1 A 82 82 VAL CB C 82 34.355 35.966 -1.611 1
1 963 . 11 1 1 A 82 82 VAL N N 82 125.314 119.979 5.335 1
1 964 . 11 1 1 A 83 83 PHE H H 83 8.883 8.589 0.294 1
1 965 . 11 1 1 A 83 83 PHE HA H 83 4.842 5.196 -0.354 1
1 972 . 11 1 1 A 83 83 PHE C C 83 179.687 172.830 6.857 1
1 973 . 11 1 1 A 83 83 PHE CA C 83 55.495 55.696 -0.201 1
1 974 . 11 1 1 A 83 83 PHE CB C 83 40.651 41.493 -0.842 1
1 978 . 11 1 1 A 83 83 PHE N N 83 122.377 118.967 3.410 1
1 979 . 11 1 1 A 84 84 LYS H H 84 8.658 8.793 -0.135 1
1 980 . 11 1 1 A 84 84 LYS HA H 84 5.001 4.843 0.158 1
1 989 . 11 1 1 A 84 84 LYS C C 84 176.705 174.794 1.911 1
1 990 . 11 1 1 A 84 84 LYS CA C 84 52.738 53.812 -1.074 1
1 991 . 11 1 1 A 84 84 LYS CB C 84 32.660 33.819 -1.159 1
1 995 . 11 1 1 A 84 84 LYS N N 84 121.116 118.096 3.020 1
1 996 . 11 1 1 A 85 85 PRO HA H 85 4.663 4.806 -0.143 1
1 1003 . 11 1 1 A 85 85 PRO C C 85 174.722 176.228 -1.506 1
1 1004 . 11 1 1 A 85 85 PRO CA C 85 62.633 62.769 -0.136 1
1 1005 . 11 1 1 A 85 85 PRO CB C 85 32.712 31.947 0.765 1
1 1008 . 11 1 1 A 86 86 ASN H H 86 8.983 9.082 -0.099 1
1 1009 . 11 1 1 A 86 86 ASN HA H 86 4.704 4.929 -0.225 1
1 1014 . 11 1 1 A 86 86 ASN C C 86 176.576 175.016 1.560 1
1 1015 . 11 1 1 A 86 86 ASN CA C 86 53.552 54.709 -1.157 1
1 1016 . 11 1 1 A 86 86 ASN CB C 86 39.208 40.744 -1.536 1
1 1017 . 11 1 1 A 86 86 ASN N N 86 119.549 120.491 -0.942 1
1 1019 . 11 1 1 A 87 87 ALA H H 87 8.122 7.831 0.291 1
1 1020 . 11 1 1 A 87 87 ALA HA H 87 4.369 4.329 0.040 1
1 1024 . 11 1 1 A 87 87 ALA C C 87 174.154 177.811 -3.657 1
1 1025 . 11 1 1 A 87 87 ALA CA C 87 52.560 52.893 -0.333 1
1 1026 . 11 1 1 A 87 87 ALA CB C 87 19.660 19.656 0.004 1
1 1027 . 11 1 1 A 87 87 ALA N N 87 122.483 121.209 1.274 1
1 1028 . 11 1 1 A 88 88 LEU H H 88 8.195 8.537 -0.342 1
1 1029 . 11 1 1 A 88 88 LEU HA H 88 4.192 4.588 -0.396 1
1 1039 . 11 1 1 A 88 88 LEU C C 88 174.871 178.187 -3.316 1
1 1040 . 11 1 1 A 88 88 LEU CA C 88 55.691 55.545 0.146 1
1 1041 . 11 1 1 A 88 88 LEU CB C 88 41.708 43.743 -2.035 1
1 1045 . 11 1 1 A 88 88 LEU N N 88 118.730 117.498 1.232 1
1 1046 . 11 1 1 A 89 89 ASP H H 89 7.902 8.041 -0.139 1
1 1047 . 11 1 1 A 89 89 ASP HA H 89 4.601 4.257 0.344 1
1 1050 . 11 1 1 A 89 89 ASP C C 89 175.940 176.995 -1.055 1
1 1051 . 11 1 1 A 89 89 ASP CA C 89 53.641 56.756 -3.115 1
1 1052 . 11 1 1 A 89 89 ASP CB C 89 40.953 40.499 0.454 1
1 1053 . 11 1 1 A 89 89 ASP N N 89 118.577 120.212 -1.635 1
1 1054 . 11 1 1 A 90 90 TYR H H 90 7.922 7.708 0.214 1
1 1055 . 11 1 1 A 90 90 TYR HA H 90 4.551 4.527 0.024 1
1 1062 . 11 1 1 A 90 90 TYR C C 90 175.338 176.822 -1.484 1
1 1063 . 11 1 1 A 90 90 TYR CA C 90 57.505 60.556 -3.051 1
1 1064 . 11 1 1 A 90 90 TYR CB C 90 38.147 39.349 -1.202 1
1 1067 . 11 1 1 A 90 90 TYR N N 90 121.632 114.662 6.970 1
1 1068 . 11 1 1 A 91 91 GLY H H 91 8.313 8.280 0.033 1
1 1069 . 11 1 1 A 91 91 GLY HA2 H 91 3.966 4.025 -0.059 1
1 1070 . 11 1 1 A 91 91 GLY HA3 H 91 3.784 4.051 -0.267 1
1 1071 . 11 1 1 A 91 91 GLY C C 91 178.622 174.906 3.716 1
1 1072 . 11 1 1 A 91 91 GLY CA C 91 45.916 46.077 -0.161 1
1 1073 . 11 1 1 A 91 91 GLY N N 91 108.097 107.918 0.179 1
1 1074 . 11 1 1 A 92 92 VAL H H 92 7.078 7.876 -0.798 1
1 1075 . 11 1 1 A 92 92 VAL HA H 92 4.810 4.440 0.370 1
1 1083 . 11 1 1 A 92 92 VAL C C 92 176.954 175.394 1.560 1
1 1084 . 11 1 1 A 92 92 VAL CA C 92 59.083 61.914 -2.831 1
1 1085 . 11 1 1 A 92 92 VAL CB C 92 35.602 32.684 2.918 1
1 1088 . 11 1 1 A 92 92 VAL N N 92 113.901 119.229 -5.328 1
1 1089 . 11 1 1 A 93 93 CYS H H 93 9.086 8.651 0.435 1
1 1090 . 11 1 1 A 93 93 CYS HA H 93 4.118 4.780 -0.662 1
1 1093 . 11 1 1 A 93 93 CYS C C 93 173.477 175.865 -2.388 1
1 1094 . 11 1 1 A 93 93 CYS CA C 93 60.511 59.786 0.725 1
1 1095 . 11 1 1 A 93 93 CYS CB C 93 31.124 28.630 2.494 1
1 1096 . 11 1 1 A 93 93 CYS N N 93 126.248 122.862 3.386 1
1 1097 . 11 1 1 A 94 94 GLU H H 94 5.667 9.006 -3.339 1
1 1098 . 11 1 1 A 94 94 GLU HA H 94 4.073 3.866 0.207 1
1 1103 . 11 1 1 A 94 94 GLU C C 94 176.973 178.303 -1.330 1
1 1104 . 11 1 1 A 94 94 GLU CA C 94 57.434 59.652 -2.218 1
1 1105 . 11 1 1 A 94 94 GLU CB C 94 28.813 29.339 -0.526 1
1 1107 . 11 1 1 A 94 94 GLU N N 94 126.541 126.617 -0.076 1
1 1108 . 11 1 1 A 95 95 LYS H H 95 9.002 7.668 1.334 1
1 1109 . 11 1 1 A 95 95 LYS HA H 95 4.076 4.098 -0.022 1
1 1118 . 11 1 1 A 95 95 LYS C C 95 174.890 176.732 -1.842 1
1 1119 . 11 1 1 A 95 95 LYS CA C 95 57.782 58.791 -1.009 1
1 1120 . 11 1 1 A 95 95 LYS CB C 95 34.056 32.743 1.313 1
1 1124 . 11 1 1 A 95 95 LYS N N 95 123.753 118.860 4.893 1
1 1125 . 11 1 1 A 96 96 CYS H H 96 9.063 7.527 1.536 1
1 1126 . 11 1 1 A 96 96 CYS HA H 96 4.755 4.584 0.171 1
1 1129 . 11 1 1 A 96 96 CYS C C 96 174.775 174.069 0.706 1
1 1130 . 11 1 1 A 96 96 CYS CA C 96 58.756 57.224 1.532 1
1 1131 . 11 1 1 A 96 96 CYS CB C 96 32.066 29.415 2.651 1
1 1132 . 11 1 1 A 96 96 CYS N N 96 120.699 115.233 5.466 1
1 1133 . 11 1 1 A 97 97 HIS H H 97 7.541 8.604 -1.063 1
1 1134 . 11 1 1 A 97 97 HIS HA H 97 4.474 4.702 -0.228 1
1 1139 . 11 1 1 A 97 97 HIS C C 97 178.193 174.177 4.016 1
1 1140 . 11 1 1 A 97 97 HIS CA C 97 57.481 54.540 2.941 1
1 1141 . 11 1 1 A 97 97 HIS CB C 97 27.126 27.334 -0.208 1
1 1144 . 11 1 1 A 97 97 HIS N N 97 116.676 124.229 -7.553 1
1 1147 . 11 1 1 A 98 98 SER H H 98 8.775 7.866 0.909 1
1 1148 . 11 1 1 A 98 98 SER HA H 98 4.322 5.142 -0.820 1
1 1151 . 11 1 1 A 98 98 SER C C 98 176.432 173.741 2.691 1
1 1152 . 11 1 1 A 98 98 SER CA C 98 58.923 57.382 1.541 1
1 1153 . 11 1 1 A 98 98 SER CB C 98 64.790 66.807 -2.017 1
1 1154 . 11 1 1 A 98 98 SER N N 98 116.989 116.086 0.903 1
1 1155 . 11 1 1 A 99 99 LYS H H 99 8.567 8.897 -0.330 1
1 1156 . 11 1 1 A 99 99 LYS HA H 99 4.935 4.601 0.334 1
1 1165 . 11 1 1 A 99 99 LYS C C 99 173.648 177.371 -3.723 1
1 1166 . 11 1 1 A 99 99 LYS CA C 99 56.417 56.357 0.060 1
1 1167 . 11 1 1 A 99 99 LYS CB C 99 32.366 32.154 0.212 1
1 1171 . 11 1 1 A 99 99 LYS N N 99 122.510 124.295 -1.785 1
1 1172 . 11 1 1 A 100 100 ASN H H 100 9.426 8.342 1.084 1
1 1173 . 11 1 1 A 100 100 ASN HA H 100 4.916 4.585 0.331 1
1 1178 . 11 1 1 A 100 100 ASN C C 100 178.498 175.517 2.981 1
1 1179 . 11 1 1 A 100 100 ASN CA C 100 51.999 53.945 -1.946 1
1 1180 . 11 1 1 A 100 100 ASN CB C 100 36.539 37.662 -1.123 1
1 1181 . 11 1 1 A 100 100 ASN N N 100 124.489 117.388 7.101 1
1 1183 . 11 1 1 A 101 101 VAL H H 101 7.627 7.475 0.152 1
1 1184 . 11 1 1 A 101 101 VAL HA H 101 5.329 4.082 1.247 1
1 1192 . 11 1 1 A 101 101 VAL C C 101 175.484 175.863 -0.379 1
1 1193 . 11 1 1 A 101 101 VAL CA C 101 58.253 62.231 -3.978 1
1 1194 . 11 1 1 A 101 101 VAL CB C 101 34.692 32.455 2.237 1
1 1197 . 11 1 1 A 101 101 VAL N N 101 112.585 119.281 -6.696 1
1 1198 . 11 1 1 A 102 102 ILE H H 102 9.032 8.818 0.214 1
1 1199 . 11 1 1 A 102 102 ILE HA H 102 4.671 4.788 -0.117 1
1 1209 . 11 1 1 A 102 102 ILE C C 102 177.283 174.747 2.536 1
1 1210 . 11 1 1 A 102 102 ILE CA C 102 58.979 58.566 0.413 1
1 1211 . 11 1 1 A 102 102 ILE CB C 102 41.970 41.893 0.077 1
1 1215 . 11 1 1 A 102 102 ILE N N 102 119.819 120.309 -0.490 1
1 1216 . 11 1 1 A 103 103 ILE H H 103 8.364 8.913 -0.549 1
1 1217 . 11 1 1 A 103 103 ILE HA H 103 4.527 4.196 0.331 1
1 1227 . 11 1 1 A 103 103 ILE C C 103 174.186 176.467 -2.281 1
1 1228 . 11 1 1 A 103 103 ILE CA C 103 61.366 61.466 -0.100 1
1 1229 . 11 1 1 A 103 103 ILE CB C 103 38.577 36.838 1.739 1
1 1233 . 11 1 1 A 103 103 ILE N N 103 123.325 124.907 -1.582 1
1 1234 . 11 1 1 A 104 104 THR H H 104 8.796 9.018 -0.222 1
1 1235 . 11 1 1 A 104 104 THR HA H 104 4.260 4.358 -0.098 1
1 1240 . 11 1 1 A 104 104 THR C C 104 176.317 173.890 2.427 1
1 1241 . 11 1 1 A 104 104 THR CA C 104 62.708 63.148 -0.440 1
1 1242 . 11 1 1 A 104 104 THR CB C 104 68.431 69.877 -1.446 1
1 1244 . 11 1 1 A 104 104 THR N N 104 120.825 122.374 -1.549 1
1 1245 . 11 1 1 A 105 105 GLN H H 105 7.705 7.775 -0.070 1
1 1246 . 11 1 1 A 105 105 GLN HA H 105 4.482 4.534 -0.052 1
1 1253 . 11 1 1 A 105 105 GLN C C 105 177.316 175.208 2.108 1
1 1254 . 11 1 1 A 105 105 GLN CA C 105 55.621 55.512 0.109 1
1 1255 . 11 1 1 A 105 105 GLN CB C 105 31.897 31.490 0.407 1
1 1257 . 11 1 1 A 105 105 GLN N N 105 118.599 120.259 -1.660 1
1 1259 . 11 1 1 A 106 106 GLY H H 106 9.091 8.870 0.221 1
1 1260 . 11 1 1 A 106 106 GLY HA2 H 106 3.472 3.974 -0.502 1
1 1261 . 11 1 1 A 106 106 GLY HA3 H 106 4.255 3.977 0.278 1
1 1262 . 11 1 1 A 106 106 GLY C C 106 178.226 175.233 2.993 1
1 1263 . 11 1 1 A 106 106 GLY CA C 106 45.497 46.119 -0.622 1
1 1264 . 11 1 1 A 106 106 GLY N N 106 106.938 115.110 -8.172 1
1 1265 . 11 1 1 A 107 107 ASN H H 107 8.542 7.961 0.581 1
1 1266 . 11 1 1 A 107 107 ASN HA H 107 4.670 4.402 0.268 1
1 1271 . 11 1 1 A 107 107 ASN C C 107 176.917 175.138 1.779 1
1 1272 . 11 1 1 A 107 107 ASN CA C 107 52.697 55.599 -2.902 1
1 1273 . 11 1 1 A 107 107 ASN CB C 107 39.745 39.222 0.523 1
1 1274 . 11 1 1 A 107 107 ASN N N 107 117.838 120.020 -2.182 1
1 1276 . 11 1 1 A 108 108 GLU H H 108 8.050 7.608 0.442 1
1 1277 . 11 1 1 A 108 108 GLU HA H 108 4.638 4.755 -0.117 1
1 1282 . 11 1 1 A 108 108 GLU C C 108 176.463 175.330 1.133 1
1 1283 . 11 1 1 A 108 108 GLU CA C 108 55.693 54.928 0.765 1
1 1284 . 11 1 1 A 108 108 GLU CB C 108 32.643 32.623 0.020 1
1 1286 . 11 1 1 A 108 108 GLU N N 108 118.542 114.681 3.861 1
1 1287 . 11 1 1 A 109 109 MET H H 109 8.431 8.573 -0.142 1
1 1288 . 11 1 1 A 109 109 MET HA H 109 5.236 4.900 0.336 1
1 1296 . 11 1 1 A 109 109 MET C C 109 176.443 175.646 0.797 1
1 1297 . 11 1 1 A 109 109 MET CA C 109 54.801 54.791 0.010 1
1 1298 . 11 1 1 A 109 109 MET CB C 109 33.115 33.632 -0.517 1
1 1301 . 11 1 1 A 109 109 MET N N 109 121.401 119.147 2.254 1
1 1302 . 11 1 1 A 110 110 ARG H H 110 9.166 8.768 0.398 1
1 1303 . 11 1 1 A 110 110 ARG HA H 110 4.771 4.875 -0.104 1
1 1311 . 11 1 1 A 110 110 ARG C C 110 177.215 175.694 1.521 1
1 1312 . 11 1 1 A 110 110 ARG CA C 110 54.826 53.811 1.015 1
1 1313 . 11 1 1 A 110 110 ARG CB C 110 33.474 34.428 -0.954 1
1 1316 . 11 1 1 A 110 110 ARG N N 110 123.271 120.043 3.228 1
1 1318 . 11 1 1 A 111 111 LEU H H 111 8.874 8.517 0.357 1
1 1319 . 11 1 1 A 111 111 LEU HA H 111 4.335 4.383 -0.048 1
1 1329 . 11 1 1 A 111 111 LEU C C 111 175.976 176.636 -0.660 1
1 1330 . 11 1 1 A 111 111 LEU CA C 111 55.633 54.788 0.845 1
1 1331 . 11 1 1 A 111 111 LEU CB C 111 42.413 43.199 -0.786 1
1 1335 . 11 1 1 A 111 111 LEU N N 111 125.212 120.347 4.865 1
1 1336 . 11 1 1 A 112 112 LEU HA H 112 4.432 4.457 -0.025 1
1 1346 . 11 1 1 A 112 112 LEU C C 112 173.898 176.807 -2.909 1
1 1347 . 11 1 1 A 112 112 LEU CA C 112 56.230 55.931 0.299 1
1 1348 . 11 1 1 A 112 112 LEU CB C 112 42.688 43.076 -0.388 1
1 1352 . 11 1 1 A 113 113 SER H H 113 7.895 7.731 0.164 1
1 1353 . 11 1 1 A 113 113 SER HA H 113 4.509 4.984 -0.475 1
1 1356 . 11 1 1 A 113 113 SER C C 113 180.240 172.416 7.824 1
1 1357 . 11 1 1 A 113 113 SER CA C 113 58.129 57.284 0.845 1
1 1358 . 11 1 1 A 113 113 SER CB C 113 64.473 66.290 -1.817 1
1 1359 . 11 1 1 A 113 113 SER N N 113 110.894 110.198 0.696 1
1 1360 . 11 1 1 A 114 114 LEU H H 114 8.151 8.582 -0.431 1
1 1361 . 11 1 1 A 114 114 LEU HA H 114 5.086 5.115 -0.029 1
1 1371 . 11 1 1 A 114 114 LEU C C 114 175.777 175.506 0.271 1
1 1372 . 11 1 1 A 114 114 LEU CA C 114 53.830 53.815 0.015 1
1 1373 . 11 1 1 A 114 114 LEU CB C 114 46.471 46.767 -0.296 1
1 1377 . 11 1 1 A 114 114 LEU N N 114 120.671 121.928 -1.257 1
1 1378 . 11 1 1 A 115 115 GLU H H 115 8.666 8.955 -0.289 1
1 1379 . 11 1 1 A 115 115 GLU HA H 115 4.823 5.109 -0.286 1
1 1384 . 11 1 1 A 115 115 GLU C C 115 175.727 175.267 0.460 1
1 1385 . 11 1 1 A 115 115 GLU CA C 115 55.127 54.620 0.507 1
1 1386 . 11 1 1 A 115 115 GLU CB C 115 31.063 34.494 -3.431 1
1 1388 . 11 1 1 A 115 115 GLU N N 115 122.105 120.209 1.896 1
1 1389 . 11 1 1 A 116 116 MET H H 116 9.159 8.718 0.441 1
1 1390 . 11 1 1 A 116 116 MET HA H 116 4.989 5.392 -0.403 1
1 1398 . 11 1 1 A 116 116 MET C C 116 177.447 174.961 2.486 1
1 1399 . 11 1 1 A 116 116 MET CA C 116 54.669 53.779 0.890 1
1 1400 . 11 1 1 A 116 116 MET CB C 116 36.107 37.223 -1.116 1
1 1403 . 11 1 1 A 116 116 MET N N 116 123.947 121.498 2.449 1
1 1404 . 11 1 1 A 117 117 LEU H H 117 8.573 8.684 -0.111 1
1 1405 . 11 1 1 A 117 117 LEU HA H 117 4.670 5.307 -0.637 1
1 1412 . 11 1 1 A 117 117 LEU C C 117 175.990 175.888 0.102 1
1 1413 . 11 1 1 A 117 117 LEU CA C 117 54.549 53.082 1.467 1
1 1414 . 11 1 1 A 117 117 LEU CB C 117 44.045 46.264 -2.219 1
1 1417 . 11 1 1 A 117 117 LEU N N 117 122.478 116.986 5.492 1
1 1418 . 11 1 1 A 118 118 ALA H H 118 8.714 8.837 -0.123 1
1 1419 . 11 1 1 A 118 118 ALA HA H 118 4.604 4.456 0.148 1
1 1423 . 11 1 1 A 118 118 ALA C C 118 175.279 177.200 -1.921 1
1 1424 . 11 1 1 A 118 118 ALA CA C 118 52.155 53.275 -1.120 1
1 1425 . 11 1 1 A 118 118 ALA CB C 118 20.444 20.433 0.011 1
1 1426 . 11 1 1 A 118 118 ALA N N 118 127.701 121.496 6.205 1
1 4 . 12 1 1 A 2 2 SER HA H 2 4.544 5.366 -0.822 1
1 7 . 12 1 1 A 2 2 SER CA C 2 58.424 56.505 1.919 1
1 8 . 12 1 1 A 2 2 SER CB C 2 64.017 66.573 -2.556 1
1 13 . 12 1 1 A 4 4 HIS HA H 4 4.504 4.732 -0.228 1
1 17 . 12 1 1 A 4 4 HIS C C 4 175.043 177.034 -1.991 1
1 18 . 12 1 1 A 4 4 HIS CA C 4 58.574 57.431 1.143 1
1 19 . 12 1 1 A 4 4 HIS CB C 4 30.859 31.233 -0.374 1
1 20 . 12 1 1 A 5 5 GLU H H 5 10.002 8.400 1.602 1
1 21 . 12 1 1 A 5 5 GLU HA H 5 3.831 3.991 -0.160 1
1 26 . 12 1 1 A 5 5 GLU C C 5 173.758 177.265 -3.507 1
1 27 . 12 1 1 A 5 5 GLU CA C 5 61.822 58.989 2.833 1
1 28 . 12 1 1 A 5 5 GLU CB C 5 28.884 28.721 0.163 1
1 30 . 12 1 1 A 5 5 GLU N N 5 120.850 117.754 3.096 1
1 31 . 12 1 1 A 6 6 TYR H H 6 8.163 7.591 0.572 1
1 32 . 12 1 1 A 6 6 TYR HA H 6 4.066 4.667 -0.601 1
1 39 . 12 1 1 A 6 6 TYR C C 6 173.754 177.614 -3.860 1
1 40 . 12 1 1 A 6 6 TYR CA C 6 61.029 60.622 0.407 1
1 41 . 12 1 1 A 6 6 TYR CB C 6 37.391 37.235 0.156 1
1 44 . 12 1 1 A 6 6 TYR N N 6 117.171 119.293 -2.122 1
1 45 . 12 1 1 A 7 7 SER H H 7 7.929 8.242 -0.313 1
1 46 . 12 1 1 A 7 7 SER HA H 7 4.265 4.186 0.079 1
1 49 . 12 1 1 A 7 7 SER C C 7 174.434 177.536 -3.102 1
1 50 . 12 1 1 A 7 7 SER CA C 7 61.471 61.851 -0.380 1
1 51 . 12 1 1 A 7 7 SER CB C 7 62.686 63.235 -0.549 1
1 52 . 12 1 1 A 7 7 SER N N 7 116.417 116.998 -0.581 1
1 53 . 12 1 1 A 8 8 VAL H H 8 8.088 8.277 -0.189 1
1 54 . 12 1 1 A 8 8 VAL HA H 8 3.795 3.813 -0.018 1
1 62 . 12 1 1 A 8 8 VAL C C 8 172.652 177.960 -5.308 1
1 63 . 12 1 1 A 8 8 VAL CA C 8 66.036 65.525 0.511 1
1 64 . 12 1 1 A 8 8 VAL CB C 8 31.811 31.310 0.501 1
1 67 . 12 1 1 A 8 8 VAL N N 8 122.514 120.092 2.422 1
1 68 . 12 1 1 A 9 9 VAL H H 9 8.255 8.352 -0.097 1
1 69 . 12 1 1 A 9 9 VAL HA H 9 3.539 3.756 -0.217 1
1 77 . 12 1 1 A 9 9 VAL C C 9 174.142 178.078 -3.936 1
1 78 . 12 1 1 A 9 9 VAL CA C 9 67.201 67.114 0.087 1
1 79 . 12 1 1 A 9 9 VAL CB C 9 30.859 31.750 -0.891 1
1 82 . 12 1 1 A 9 9 VAL N N 9 120.829 122.245 -1.416 1
1 83 . 12 1 1 A 10 10 SER H H 10 8.179 8.404 -0.225 1
1 84 . 12 1 1 A 10 10 SER HA H 10 3.726 3.960 -0.234 1
1 87 . 12 1 1 A 10 10 SER C C 10 173.669 177.260 -3.591 1
1 88 . 12 1 1 A 10 10 SER CA C 10 62.397 61.565 0.832 1
1 89 . 12 1 1 A 10 10 SER CB C 10 62.470 63.009 -0.539 1
1 90 . 12 1 1 A 10 10 SER N N 10 115.937 115.707 0.230 1
1 91 . 12 1 1 A 11 11 SER H H 11 7.860 8.159 -0.299 1
1 92 . 12 1 1 A 11 11 SER HA H 11 4.312 4.158 0.154 1
1 95 . 12 1 1 A 11 11 SER C C 11 174.888 175.985 -1.097 1
1 96 . 12 1 1 A 11 11 SER CA C 11 61.863 62.489 -0.626 1
1 97 . 12 1 1 A 11 11 SER CB C 11 62.638 63.251 -0.613 1
1 98 . 12 1 1 A 11 11 SER N N 11 117.940 117.553 0.387 1
1 99 . 12 1 1 A 12 12 LEU H H 12 8.197 8.368 -0.171 1
1 100 . 12 1 1 A 12 12 LEU HA H 12 4.331 3.905 0.426 1
1 110 . 12 1 1 A 12 12 LEU C C 12 172.791 179.218 -6.427 1
1 111 . 12 1 1 A 12 12 LEU CA C 12 58.035 58.203 -0.168 1
1 112 . 12 1 1 A 12 12 LEU CB C 12 42.062 42.407 -0.345 1
1 116 . 12 1 1 A 12 12 LEU N N 12 125.411 120.315 5.096 1
1 117 . 12 1 1 A 13 13 ILE H H 13 8.689 8.175 0.514 1
1 118 . 12 1 1 A 13 13 ILE HA H 13 3.654 3.771 -0.117 1
1 128 . 12 1 1 A 13 13 ILE C C 13 173.945 178.083 -4.138 1
1 129 . 12 1 1 A 13 13 ILE CA C 13 65.287 66.040 -0.753 1
1 130 . 12 1 1 A 13 13 ILE CB C 13 36.843 38.037 -1.194 1
1 134 . 12 1 1 A 13 13 ILE N N 13 121.352 118.356 2.996 1
1 135 . 12 1 1 A 14 14 ALA H H 14 7.692 8.269 -0.577 1
1 136 . 12 1 1 A 14 14 ALA HA H 14 4.218 4.081 0.137 1
1 140 . 12 1 1 A 14 14 ALA C C 14 170.805 179.825 -9.020 1
1 141 . 12 1 1 A 14 14 ALA CA C 14 55.484 55.326 0.158 1
1 142 . 12 1 1 A 14 14 ALA CB C 14 17.698 18.357 -0.659 1
1 143 . 12 1 1 A 14 14 ALA N N 14 121.374 122.852 -1.478 1
1 144 . 12 1 1 A 15 15 LEU H H 15 8.040 8.388 -0.348 1
1 145 . 12 1 1 A 15 15 LEU HA H 15 4.253 3.621 0.632 1
1 152 . 12 1 1 A 15 15 LEU C C 15 171.818 178.617 -6.799 1
1 153 . 12 1 1 A 15 15 LEU CA C 15 58.208 57.937 0.271 1
1 154 . 12 1 1 A 15 15 LEU CB C 15 42.286 41.537 0.749 1
1 157 . 12 1 1 A 15 15 LEU N N 15 121.328 117.755 3.573 1
1 158 . 12 1 1 A 16 16 CYS H H 16 8.587 8.778 -0.191 1
1 159 . 12 1 1 A 16 16 CYS HA H 16 3.954 4.213 -0.259 1
1 162 . 12 1 1 A 16 16 CYS C C 16 174.494 176.398 -1.904 1
1 163 . 12 1 1 A 16 16 CYS CA C 16 64.933 62.036 2.897 1
1 164 . 12 1 1 A 16 16 CYS CB C 16 26.960 27.255 -0.295 1
1 165 . 12 1 1 A 16 16 CYS N N 16 118.908 117.568 1.340 1
1 166 . 12 1 1 A 17 17 GLU H H 17 8.576 8.261 0.315 1
1 167 . 12 1 1 A 17 17 GLU HA H 17 3.806 3.979 -0.173 1
1 172 . 12 1 1 A 17 17 GLU C C 17 172.225 179.047 -6.822 1
1 173 . 12 1 1 A 17 17 GLU CA C 17 60.306 59.734 0.572 1
1 174 . 12 1 1 A 17 17 GLU CB C 17 29.130 29.100 0.030 1
1 176 . 12 1 1 A 17 17 GLU N N 17 118.419 121.361 -2.942 1
1 177 . 12 1 1 A 18 18 GLU H H 18 8.156 8.063 0.093 1
1 178 . 12 1 1 A 18 18 GLU HA H 18 4.115 4.004 0.111 1
1 183 . 12 1 1 A 18 18 GLU C C 18 172.241 179.502 -7.261 1
1 184 . 12 1 1 A 18 18 GLU CA C 18 59.507 59.126 0.381 1
1 185 . 12 1 1 A 18 18 GLU CB C 18 29.335 29.329 0.006 1
1 187 . 12 1 1 A 18 18 GLU N N 18 121.603 118.932 2.671 1
1 188 . 12 1 1 A 19 19 HIS H H 19 8.379 7.914 0.465 1
1 189 . 12 1 1 A 19 19 HIS HA H 19 4.174 4.362 -0.188 1
1 194 . 12 1 1 A 19 19 HIS C C 19 172.511 177.699 -5.188 1
1 195 . 12 1 1 A 19 19 HIS CA C 19 60.525 59.596 0.929 1
1 196 . 12 1 1 A 19 19 HIS CB C 19 31.354 29.937 1.417 1
1 198 . 12 1 1 A 19 19 HIS N N 19 119.634 118.989 0.645 1
1 201 . 12 1 1 A 20 20 ALA H H 20 8.568 8.302 0.266 1
1 202 . 12 1 1 A 20 20 ALA HA H 20 4.143 3.874 0.269 1
1 206 . 12 1 1 A 20 20 ALA C C 20 172.155 179.193 -7.038 1
1 207 . 12 1 1 A 20 20 ALA CA C 20 55.716 55.353 0.363 1
1 208 . 12 1 1 A 20 20 ALA CB C 20 17.682 18.314 -0.632 1
1 209 . 12 1 1 A 20 20 ALA N N 20 122.453 121.782 0.671 1
1 210 . 12 1 1 A 21 21 LYS H H 21 8.055 7.824 0.231 1
1 211 . 12 1 1 A 21 21 LYS HA H 21 4.128 3.738 0.390 1
1 220 . 12 1 1 A 21 21 LYS C C 21 170.753 178.658 -7.905 1
1 221 . 12 1 1 A 21 21 LYS CA C 21 59.469 59.160 0.309 1
1 222 . 12 1 1 A 21 21 LYS CB C 21 32.369 31.888 0.481 1
1 226 . 12 1 1 A 21 21 LYS N N 21 118.604 116.532 2.072 1
1 227 . 12 1 1 A 22 22 LYS H H 22 8.092 7.486 0.606 1
1 228 . 12 1 1 A 22 22 LYS HA H 22 4.100 4.062 0.038 1
1 237 . 12 1 1 A 22 22 LYS C C 22 174.300 178.059 -3.759 1
1 238 . 12 1 1 A 22 22 LYS CA C 22 58.920 59.404 -0.484 1
1 239 . 12 1 1 A 22 22 LYS CB C 22 32.406 32.378 0.028 1
1 243 . 12 1 1 A 22 22 LYS N N 22 119.468 119.619 -0.151 1
1 244 . 12 1 1 A 23 23 ASN H H 23 7.461 7.987 -0.526 1
1 245 . 12 1 1 A 23 23 ASN HA H 23 4.710 4.793 -0.083 1
1 248 . 12 1 1 A 23 23 ASN C C 23 178.526 174.824 3.702 1
1 249 . 12 1 1 A 23 23 ASN CA C 23 53.514 53.590 -0.076 1
1 250 . 12 1 1 A 23 23 ASN CB C 23 40.124 38.973 1.151 1
1 251 . 12 1 1 A 23 23 ASN N N 23 115.166 117.057 -1.891 1
1 252 . 12 1 1 A 24 24 GLN H H 24 7.879 7.917 -0.038 1
1 253 . 12 1 1 A 24 24 GLN HA H 24 3.927 3.977 -0.050 1
1 260 . 12 1 1 A 24 24 GLN C C 24 177.284 175.582 1.702 1
1 261 . 12 1 1 A 24 24 GLN CA C 24 57.083 56.941 0.142 1
1 262 . 12 1 1 A 24 24 GLN CB C 24 26.400 26.165 0.235 1
1 264 . 12 1 1 A 24 24 GLN N N 24 116.046 116.514 -0.468 1
1 266 . 12 1 1 A 25 25 ALA H H 25 8.491 8.308 0.183 1
1 267 . 12 1 1 A 25 25 ALA HA H 25 4.600 4.114 0.486 1
1 271 . 12 1 1 A 25 25 ALA C C 25 174.729 177.917 -3.188 1
1 272 . 12 1 1 A 25 25 ALA CA C 25 51.416 54.927 -3.511 1
1 273 . 12 1 1 A 25 25 ALA CB C 25 21.350 18.875 2.475 1
1 274 . 12 1 1 A 25 25 ALA N N 25 120.372 121.055 -0.683 1
1 275 . 12 1 1 A 26 26 HIS H H 26 8.476 7.820 0.656 1
1 276 . 12 1 1 A 26 26 HIS HA H 26 4.736 4.175 0.561 1
1 280 . 12 1 1 A 26 26 HIS C C 26 176.751 173.876 2.875 1
1 281 . 12 1 1 A 26 26 HIS CA C 26 56.211 57.031 -0.820 1
1 282 . 12 1 1 A 26 26 HIS CB C 26 31.838 26.964 4.874 1
1 284 . 12 1 1 A 26 26 HIS N N 26 117.648 112.707 4.941 1
1 285 . 12 1 1 A 27 27 LYS H H 27 7.540 7.585 -0.045 1
1 286 . 12 1 1 A 27 27 LYS HA H 27 4.766 4.726 0.040 1
1 295 . 12 1 1 A 27 27 LYS C C 27 176.918 174.661 2.257 1
1 296 . 12 1 1 A 27 27 LYS CA C 27 55.877 55.666 0.211 1
1 297 . 12 1 1 A 27 27 LYS CB C 27 36.796 36.193 0.603 1
1 301 . 12 1 1 A 27 27 LYS N N 27 116.451 117.418 -0.967 1
1 302 . 12 1 1 A 28 28 ILE H H 28 8.320 8.623 -0.303 1
1 303 . 12 1 1 A 28 28 ILE HA H 28 4.319 5.020 -0.701 1
1 310 . 12 1 1 A 28 28 ILE C C 28 176.921 175.499 1.422 1
1 311 . 12 1 1 A 28 28 ILE CA C 28 60.552 59.675 0.877 1
1 312 . 12 1 1 A 28 28 ILE CB C 28 38.843 41.739 -2.896 1
1 313 . 12 1 1 A 28 28 ILE N N 28 123.140 121.768 1.372 1
1 314 . 12 1 1 A 29 29 GLU H H 29 9.001 9.477 -0.476 1
1 315 . 12 1 1 A 29 29 GLU HA H 29 4.446 4.412 0.034 1
1 320 . 12 1 1 A 29 29 GLU C C 29 174.406 175.291 -0.885 1
1 321 . 12 1 1 A 29 29 GLU CA C 29 57.363 58.174 -0.811 1
1 322 . 12 1 1 A 29 29 GLU CB C 29 31.761 30.691 1.070 1
1 324 . 12 1 1 A 29 29 GLU N N 29 125.872 127.059 -1.187 1
1 325 . 12 1 1 A 30 30 ARG H H 30 7.654 7.339 0.315 1
1 326 . 12 1 1 A 30 30 ARG HA H 30 5.282 5.107 0.175 1
1 334 . 12 1 1 A 30 30 ARG C C 30 178.750 174.438 4.312 1
1 335 . 12 1 1 A 30 30 ARG CA C 30 55.558 54.514 1.044 1
1 336 . 12 1 1 A 30 30 ARG CB C 30 34.774 35.205 -0.431 1
1 338 . 12 1 1 A 30 30 ARG N N 30 119.436 117.248 2.188 1
1 340 . 12 1 1 A 31 31 VAL H H 31 9.234 8.606 0.628 1
1 341 . 12 1 1 A 31 31 VAL HA H 31 4.397 4.898 -0.501 1
1 349 . 12 1 1 A 31 31 VAL C C 31 178.662 174.153 4.509 1
1 350 . 12 1 1 A 31 31 VAL CA C 31 60.882 60.046 0.836 1
1 351 . 12 1 1 A 31 31 VAL CB C 31 34.494 34.640 -0.146 1
1 354 . 12 1 1 A 31 31 VAL N N 31 127.428 118.082 9.346 1
1 355 . 12 1 1 A 32 32 VAL H H 32 8.626 9.224 -0.598 1
1 356 . 12 1 1 A 32 32 VAL HA H 32 5.039 4.797 0.242 1
1 364 . 12 1 1 A 32 32 VAL C C 32 175.519 175.351 0.168 1
1 365 . 12 1 1 A 32 32 VAL CA C 32 60.917 61.742 -0.825 1
1 366 . 12 1 1 A 32 32 VAL CB C 32 31.892 32.772 -0.880 1
1 368 . 12 1 1 A 32 32 VAL N N 32 126.581 127.162 -0.581 1
1 369 . 12 1 1 A 33 33 VAL H H 33 8.802 9.204 -0.402 1
1 370 . 12 1 1 A 33 33 VAL HA H 33 4.917 4.582 0.335 1
1 378 . 12 1 1 A 33 33 VAL C C 33 178.038 174.883 3.155 1
1 379 . 12 1 1 A 33 33 VAL CA C 33 58.975 60.745 -1.770 1
1 380 . 12 1 1 A 33 33 VAL CB C 33 35.109 35.162 -0.053 1
1 383 . 12 1 1 A 33 33 VAL N N 33 122.994 127.263 -4.269 1
1 384 . 12 1 1 A 34 34 GLY H H 34 9.535 9.344 0.191 1
1 385 . 12 1 1 A 34 34 GLY HA2 H 34 5.187 4.088 1.099 1
1 386 . 12 1 1 A 34 34 GLY HA3 H 34 3.404 4.094 -0.690 1
1 387 . 12 1 1 A 34 34 GLY C C 34 178.060 172.483 5.577 1
1 388 . 12 1 1 A 34 34 GLY CA C 34 44.108 44.766 -0.658 1
1 389 . 12 1 1 A 34 34 GLY N N 34 112.269 115.031 -2.762 1
1 390 . 12 1 1 A 35 35 ILE H H 35 8.761 9.768 -1.007 1
1 391 . 12 1 1 A 35 35 ILE HA H 35 4.340 4.664 -0.324 1
1 401 . 12 1 1 A 35 35 ILE C C 35 174.823 176.216 -1.393 1
1 402 . 12 1 1 A 35 35 ILE CA C 35 60.287 59.670 0.617 1
1 403 . 12 1 1 A 35 35 ILE CB C 35 39.357 40.357 -1.000 1
1 407 . 12 1 1 A 35 35 ILE N N 35 123.848 126.305 -2.457 1
1 408 . 12 1 1 A 36 36 GLY H H 36 8.439 8.567 -0.128 1
1 409 . 12 1 1 A 36 36 GLY HA2 H 36 3.321 4.113 -0.792 1
1 410 . 12 1 1 A 36 36 GLY HA3 H 36 4.444 4.116 0.328 1
1 411 . 12 1 1 A 36 36 GLY C C 36 175.743 175.008 0.735 1
1 412 . 12 1 1 A 36 36 GLY CA C 36 46.389 45.781 0.608 1
1 413 . 12 1 1 A 36 36 GLY N N 36 117.219 114.026 3.193 1
1 414 . 12 1 1 A 37 37 GLU H H 37 8.756 9.090 -0.334 1
1 415 . 12 1 1 A 37 37 GLU HA H 37 4.277 4.115 0.162 1
1 420 . 12 1 1 A 37 37 GLU C C 37 174.413 176.986 -2.573 1
1 421 . 12 1 1 A 37 37 GLU CA C 37 58.568 58.572 -0.004 1
1 422 . 12 1 1 A 37 37 GLU CB C 37 29.809 29.114 0.695 1
1 424 . 12 1 1 A 37 37 GLU N N 37 124.260 120.797 3.463 1
1 425 . 12 1 1 A 38 38 ARG H H 38 8.483 7.842 0.641 1
1 426 . 12 1 1 A 38 38 ARG HA H 38 4.594 4.536 0.058 1
1 434 . 12 1 1 A 38 38 ARG C C 38 175.250 177.018 -1.768 1
1 435 . 12 1 1 A 38 38 ARG CA C 38 54.916 55.801 -0.885 1
1 436 . 12 1 1 A 38 38 ARG CB C 38 29.706 30.811 -1.105 1
1 439 . 12 1 1 A 38 38 ARG N N 38 117.248 119.716 -2.468 1
1 441 . 12 1 1 A 39 39 SER H H 39 7.630 7.875 -0.245 1
1 442 . 12 1 1 A 39 39 SER HA H 39 4.139 4.182 -0.043 1
1 445 . 12 1 1 A 39 39 SER C C 39 176.694 174.150 2.544 1
1 446 . 12 1 1 A 39 39 SER CA C 39 59.524 61.534 -2.010 1
1 447 . 12 1 1 A 39 39 SER CB C 39 64.248 63.005 1.243 1
1 448 . 12 1 1 A 39 39 SER N N 39 115.086 115.204 -0.118 1
1 449 . 12 1 1 A 40 40 ALA H H 40 8.667 7.856 0.811 1
1 450 . 12 1 1 A 40 40 ALA HA H 40 4.267 3.989 0.278 1
1 454 . 12 1 1 A 40 40 ALA C C 40 174.406 176.414 -2.008 1
1 455 . 12 1 1 A 40 40 ALA CA C 40 52.641 53.697 -1.056 1
1 456 . 12 1 1 A 40 40 ALA CB C 40 17.976 18.195 -0.219 1
1 457 . 12 1 1 A 40 40 ALA N N 40 126.133 122.051 4.082 1
1 458 . 12 1 1 A 41 41 MET H H 41 7.793 7.711 0.082 1
1 459 . 12 1 1 A 41 41 MET HA H 41 4.389 4.554 -0.165 1
1 467 . 12 1 1 A 41 41 MET C C 41 176.689 175.305 1.384 1
1 468 . 12 1 1 A 41 41 MET CA C 41 55.965 54.947 1.018 1
1 469 . 12 1 1 A 41 41 MET CB C 41 34.761 33.283 1.478 1
1 472 . 12 1 1 A 41 41 MET N N 41 117.758 117.162 0.596 1
1 473 . 12 1 1 A 42 42 ASP H H 42 9.667 8.840 0.827 1
1 474 . 12 1 1 A 42 42 ASP HA H 42 4.706 4.678 0.028 1
1 477 . 12 1 1 A 42 42 ASP C C 42 174.559 177.505 -2.946 1
1 478 . 12 1 1 A 42 42 ASP CA C 42 53.363 53.938 -0.575 1
1 479 . 12 1 1 A 42 42 ASP CB C 42 41.740 39.670 2.070 1
1 480 . 12 1 1 A 42 42 ASP N N 42 125.565 123.043 2.522 1
1 481 . 12 1 1 A 43 43 LYS H H 43 8.928 8.202 0.726 1
1 482 . 12 1 1 A 43 43 LYS HA H 43 3.752 4.186 -0.434 1
1 491 . 12 1 1 A 43 43 LYS C C 43 173.737 178.701 -4.964 1
1 492 . 12 1 1 A 43 43 LYS CA C 43 60.966 59.116 1.850 1
1 493 . 12 1 1 A 43 43 LYS CB C 43 32.585 32.012 0.573 1
1 497 . 12 1 1 A 43 43 LYS N N 43 127.256 124.053 3.203 1
1 498 . 12 1 1 A 44 44 SER H H 44 8.327 7.883 0.444 1
1 499 . 12 1 1 A 44 44 SER HA H 44 4.009 4.267 -0.258 1
1 502 . 12 1 1 A 44 44 SER C C 44 174.032 177.455 -3.423 1
1 503 . 12 1 1 A 44 44 SER CA C 44 62.461 61.279 1.182 1
1 504 . 12 1 1 A 44 44 SER CB C 44 62.281 62.893 -0.612 1
1 505 . 12 1 1 A 44 44 SER N N 44 114.797 115.055 -0.258 1
1 506 . 12 1 1 A 45 45 LEU H H 45 7.878 8.237 -0.359 1
1 507 . 12 1 1 A 45 45 LEU HA H 45 4.254 4.057 0.197 1
1 517 . 12 1 1 A 45 45 LEU C C 45 172.915 179.441 -6.526 1
1 518 . 12 1 1 A 45 45 LEU CA C 45 57.128 57.761 -0.633 1
1 519 . 12 1 1 A 45 45 LEU CB C 45 41.738 42.243 -0.505 1
1 523 . 12 1 1 A 45 45 LEU N N 45 124.570 122.337 2.233 1
1 524 . 12 1 1 A 46 46 PHE H H 46 8.343 8.072 0.271 1
1 525 . 12 1 1 A 46 46 PHE HA H 46 3.882 4.227 -0.345 1
1 532 . 12 1 1 A 46 46 PHE C C 46 175.104 177.027 -1.923 1
1 533 . 12 1 1 A 46 46 PHE CA C 46 61.820 61.656 0.164 1
1 534 . 12 1 1 A 46 46 PHE CB C 46 40.047 39.228 0.819 1
1 537 . 12 1 1 A 46 46 PHE N N 46 121.059 118.999 2.060 1
1 538 . 12 1 1 A 47 47 VAL H H 47 8.370 8.133 0.237 1
1 539 . 12 1 1 A 47 47 VAL HA H 47 3.466 3.489 -0.023 1
1 547 . 12 1 1 A 47 47 VAL C C 47 173.353 177.790 -4.437 1
1 548 . 12 1 1 A 47 47 VAL CA C 47 67.220 64.554 2.666 1
1 549 . 12 1 1 A 47 47 VAL CB C 47 31.927 31.285 0.642 1
1 552 . 12 1 1 A 47 47 VAL N N 47 118.023 119.191 -1.168 1
1 553 . 12 1 1 A 48 48 SER H H 48 7.967 7.849 0.118 1
1 554 . 12 1 1 A 48 48 SER HA H 48 4.268 4.043 0.225 1
1 557 . 12 1 1 A 48 48 SER C C 48 174.187 177.138 -2.951 1
1 558 . 12 1 1 A 48 48 SER CA C 48 61.789 61.459 0.330 1
1 559 . 12 1 1 A 48 48 SER CB C 48 62.761 63.053 -0.292 1
1 560 . 12 1 1 A 48 48 SER N N 48 114.372 116.867 -2.495 1
1 561 . 12 1 1 A 49 49 ALA H H 49 8.489 7.996 0.493 1
1 562 . 12 1 1 A 49 49 ALA HA H 49 3.931 4.133 -0.202 1
1 566 . 12 1 1 A 49 49 ALA C C 49 172.626 179.514 -6.888 1
1 567 . 12 1 1 A 49 49 ALA CA C 49 55.067 54.998 0.069 1
1 568 . 12 1 1 A 49 49 ALA CB C 49 17.587 18.557 -0.970 1
1 569 . 12 1 1 A 49 49 ALA N N 49 124.199 123.229 0.970 1
1 570 . 12 1 1 A 50 50 PHE H H 50 8.510 8.593 -0.083 1
1 571 . 12 1 1 A 50 50 PHE HA H 50 3.763 4.017 -0.254 1
1 578 . 12 1 1 A 50 50 PHE C C 50 174.923 177.794 -2.871 1
1 579 . 12 1 1 A 50 50 PHE CA C 50 63.098 61.584 1.514 1
1 580 . 12 1 1 A 50 50 PHE CB C 50 39.465 38.922 0.543 1
1 583 . 12 1 1 A 50 50 PHE N N 50 120.967 119.921 1.046 1
1 584 . 12 1 1 A 51 51 GLU H H 51 8.561 8.468 0.093 1
1 585 . 12 1 1 A 51 51 GLU HA H 51 3.717 3.382 0.335 1
1 590 . 12 1 1 A 51 51 GLU C C 51 173.002 178.559 -5.557 1
1 591 . 12 1 1 A 51 51 GLU CA C 51 59.750 58.809 0.941 1
1 592 . 12 1 1 A 51 51 GLU CB C 51 29.330 28.505 0.825 1
1 594 . 12 1 1 A 51 51 GLU N N 51 116.915 117.361 -0.446 1
1 595 . 12 1 1 A 52 52 THR H H 52 7.759 7.767 -0.008 1
1 596 . 12 1 1 A 52 52 THR HA H 52 4.090 3.792 0.298 1
1 601 . 12 1 1 A 52 52 THR C C 52 174.897 175.739 -0.842 1
1 602 . 12 1 1 A 52 52 THR CA C 52 65.899 66.396 -0.497 1
1 603 . 12 1 1 A 52 52 THR CB C 52 69.172 68.584 0.588 1
1 605 . 12 1 1 A 52 52 THR N N 52 114.348 116.462 -2.114 1
1 606 . 12 1 1 A 53 53 PHE H H 53 8.725 7.328 1.397 1
1 607 . 12 1 1 A 53 53 PHE HA H 53 4.335 4.617 -0.282 1
1 614 . 12 1 1 A 53 53 PHE C C 53 172.389 176.400 -4.011 1
1 615 . 12 1 1 A 53 53 PHE CA C 53 60.011 58.348 1.663 1
1 616 . 12 1 1 A 53 53 PHE CB C 53 38.244 38.265 -0.021 1
1 619 . 12 1 1 A 53 53 PHE N N 53 120.493 117.060 3.433 1
1 620 . 12 1 1 A 54 54 ARG H H 54 8.579 8.133 0.446 1
1 621 . 12 1 1 A 54 54 ARG HA H 54 3.626 3.979 -0.353 1
1 625 . 12 1 1 A 54 54 ARG C C 54 175.195 177.735 -2.540 1
1 626 . 12 1 1 A 54 54 ARG CA C 54 59.252 58.738 0.514 1
1 627 . 12 1 1 A 54 54 ARG CB C 54 26.544 29.682 -3.138 1
1 629 . 12 1 1 A 54 54 ARG N N 54 119.132 119.542 -0.410 1
1 631 . 12 1 1 A 55 55 GLU H H 55 6.758 8.584 -1.826 1
1 632 . 12 1 1 A 55 55 GLU HA H 55 3.983 4.125 -0.142 1
1 637 . 12 1 1 A 55 55 GLU C C 55 174.356 179.391 -5.035 1
1 638 . 12 1 1 A 55 55 GLU CA C 55 58.002 59.013 -1.011 1
1 639 . 12 1 1 A 55 55 GLU CB C 55 29.865 29.305 0.560 1
1 641 . 12 1 1 A 55 55 GLU N N 55 115.466 118.577 -3.111 1
1 642 . 12 1 1 A 56 56 GLU H H 56 7.245 7.732 -0.487 1
1 643 . 12 1 1 A 56 56 GLU HA H 56 4.294 4.114 0.180 1
1 648 . 12 1 1 A 56 56 GLU C C 56 175.946 176.323 -0.377 1
1 649 . 12 1 1 A 56 56 GLU CA C 56 55.827 58.403 -2.576 1
1 650 . 12 1 1 A 56 56 GLU CB C 56 30.030 29.830 0.200 1
1 652 . 12 1 1 A 56 56 GLU N N 56 114.653 119.854 -5.201 1
1 653 . 12 1 1 A 57 57 SER H H 57 7.405 7.467 -0.062 1
1 654 . 12 1 1 A 57 57 SER HA H 57 4.707 4.806 -0.099 1
1 657 . 12 1 1 A 57 57 SER C C 57 176.895 174.500 2.395 1
1 658 . 12 1 1 A 57 57 SER CA C 57 55.456 56.541 -1.085 1
1 659 . 12 1 1 A 57 57 SER CB C 57 64.059 65.408 -1.349 1
1 660 . 12 1 1 A 57 57 SER N N 57 114.312 113.470 0.842 1
1 661 . 12 1 1 A 58 58 LEU H H 58 8.819 9.083 -0.264 1
1 662 . 12 1 1 A 58 58 LEU HA H 58 4.120 4.089 0.031 1
1 672 . 12 1 1 A 58 58 LEU C C 58 172.006 178.600 -6.594 1
1 673 . 12 1 1 A 58 58 LEU CA C 58 58.438 57.724 0.714 1
1 674 . 12 1 1 A 58 58 LEU CB C 58 41.839 41.488 0.351 1
1 678 . 12 1 1 A 58 58 LEU N N 58 129.477 130.087 -0.610 1
1 679 . 12 1 1 A 59 59 VAL H H 59 7.929 7.814 0.115 1
1 680 . 12 1 1 A 59 59 VAL HA H 59 4.305 4.113 0.192 1
1 688 . 12 1 1 A 59 59 VAL C C 59 173.624 177.893 -4.269 1
1 689 . 12 1 1 A 59 59 VAL CA C 59 64.028 64.367 -0.339 1
1 690 . 12 1 1 A 59 59 VAL CB C 59 33.135 31.323 1.812 1
1 693 . 12 1 1 A 59 59 VAL N N 59 112.367 114.612 -2.245 1
1 694 . 12 1 1 A 60 60 CYS H H 60 7.786 7.906 -0.120 1
1 695 . 12 1 1 A 60 60 CYS HA H 60 4.589 4.340 0.249 1
1 698 . 12 1 1 A 60 60 CYS C C 60 176.508 176.937 -0.429 1
1 699 . 12 1 1 A 60 60 CYS CA C 60 59.907 62.064 -2.157 1
1 700 . 12 1 1 A 60 60 CYS CB C 60 28.211 27.162 1.049 1
1 701 . 12 1 1 A 60 60 CYS N N 60 115.412 120.479 -5.067 1
1 702 . 12 1 1 A 61 61 LYS H H 61 7.415 7.556 -0.141 1
1 703 . 12 1 1 A 61 61 LYS HA H 61 3.820 4.080 -0.260 1
1 712 . 12 1 1 A 61 61 LYS C C 61 175.812 177.174 -1.362 1
1 713 . 12 1 1 A 61 61 LYS CA C 61 60.389 58.428 1.961 1
1 714 . 12 1 1 A 61 61 LYS CB C 61 32.606 32.299 0.307 1
1 718 . 12 1 1 A 61 61 LYS N N 61 120.942 120.308 0.634 1
1 719 . 12 1 1 A 62 62 ASP C C 62 175.254 175.806 -0.552 1
1 720 . 12 1 1 A 62 62 ASP CA C 62 55.159 54.042 1.117 1
1 721 . 12 1 1 A 62 62 ASP CB C 62 42.358 42.245 0.113 1
1 722 . 12 1 1 A 64 64 ILE H H 64 7.784 8.274 -0.490 1
1 723 . 12 1 1 A 64 64 ILE HA H 64 4.126 5.009 -0.883 1
1 733 . 12 1 1 A 64 64 ILE C C 64 177.456 174.139 3.317 1
1 734 . 12 1 1 A 64 64 ILE CA C 64 60.516 59.664 0.852 1
1 735 . 12 1 1 A 64 64 ILE CB C 64 39.990 41.907 -1.917 1
1 739 . 12 1 1 A 64 64 ILE N N 64 122.653 120.899 1.754 1
1 740 . 12 1 1 A 65 65 LEU H H 65 8.357 8.709 -0.352 1
1 741 . 12 1 1 A 65 65 LEU HA H 65 4.858 4.565 0.293 1
1 751 . 12 1 1 A 65 65 LEU C C 65 176.625 175.176 1.449 1
1 752 . 12 1 1 A 65 65 LEU CA C 65 53.315 54.578 -1.263 1
1 753 . 12 1 1 A 65 65 LEU CB C 65 43.307 43.871 -0.564 1
1 757 . 12 1 1 A 65 65 LEU N N 65 128.311 128.232 0.079 1
1 758 . 12 1 1 A 66 66 ASP H H 66 9.088 9.098 -0.010 1
1 759 . 12 1 1 A 66 66 ASP HA H 66 5.009 5.153 -0.144 1
1 762 . 12 1 1 A 66 66 ASP C C 66 177.504 174.691 2.813 1
1 763 . 12 1 1 A 66 66 ASP CA C 66 53.137 52.754 0.383 1
1 764 . 12 1 1 A 66 66 ASP CB C 66 44.234 41.744 2.490 1
1 765 . 12 1 1 A 66 66 ASP N N 66 129.457 127.489 1.968 1
1 766 . 12 1 1 A 67 67 ILE H H 67 8.240 8.549 -0.309 1
1 767 . 12 1 1 A 67 67 ILE HA H 67 4.759 4.411 0.348 1
1 777 . 12 1 1 A 67 67 ILE C C 67 175.569 175.538 0.031 1
1 778 . 12 1 1 A 67 67 ILE CA C 67 59.640 61.383 -1.743 1
1 779 . 12 1 1 A 67 67 ILE CB C 67 39.948 37.657 2.291 1
1 783 . 12 1 1 A 67 67 ILE N N 67 120.821 125.873 -5.052 1
1 784 . 12 1 1 A 68 68 VAL H H 68 9.310 9.396 -0.086 1
1 785 . 12 1 1 A 68 68 VAL HA H 68 4.149 4.528 -0.379 1
1 793 . 12 1 1 A 68 68 VAL C C 68 176.697 174.621 2.076 1
1 794 . 12 1 1 A 68 68 VAL CA C 68 60.707 60.981 -0.274 1
1 795 . 12 1 1 A 68 68 VAL CB C 68 34.121 33.717 0.404 1
1 798 . 12 1 1 A 68 68 VAL N N 68 130.182 128.753 1.429 1
1 799 . 12 1 1 A 69 69 ASP H H 69 8.577 8.808 -0.231 1
1 800 . 12 1 1 A 69 69 ASP HA H 69 4.847 4.813 0.034 1
1 803 . 12 1 1 A 69 69 ASP C C 69 175.713 175.983 -0.270 1
1 804 . 12 1 1 A 69 69 ASP CA C 69 54.357 53.601 0.756 1
1 805 . 12 1 1 A 69 69 ASP CB C 69 41.353 40.013 1.340 1
1 806 . 12 1 1 A 69 69 ASP N N 69 127.151 127.799 -0.648 1
1 807 . 12 1 1 A 70 70 GLU H H 70 7.857 8.685 -0.828 1
1 808 . 12 1 1 A 70 70 GLU HA H 70 4.563 4.418 0.145 1
1 813 . 12 1 1 A 70 70 GLU C C 70 176.179 176.636 -0.457 1
1 814 . 12 1 1 A 70 70 GLU CA C 70 56.333 56.757 -0.424 1
1 815 . 12 1 1 A 70 70 GLU CB C 70 31.503 30.344 1.159 1
1 817 . 12 1 1 A 70 70 GLU N N 70 123.503 125.295 -1.792 1
1 818 . 12 1 1 A 71 71 LYS H H 71 8.517 8.437 0.080 1
1 819 . 12 1 1 A 71 71 LYS HA H 71 4.261 4.331 -0.070 1
1 828 . 12 1 1 A 71 71 LYS C C 71 175.084 176.622 -1.538 1
1 829 . 12 1 1 A 71 71 LYS CA C 71 55.210 56.851 -1.641 1
1 830 . 12 1 1 A 71 71 LYS CB C 71 33.019 33.069 -0.050 1
1 834 . 12 1 1 A 71 71 LYS N N 71 124.197 122.981 1.216 1
1 835 . 12 1 1 A 72 72 VAL H H 72 8.612 8.333 0.279 1
1 836 . 12 1 1 A 72 72 VAL HA H 72 4.277 5.175 -0.898 1
1 844 . 12 1 1 A 72 72 VAL C C 72 176.529 174.230 2.299 1
1 845 . 12 1 1 A 72 72 VAL CA C 72 63.133 59.580 3.553 1
1 846 . 12 1 1 A 72 72 VAL CB C 72 32.188 34.595 -2.407 1
1 849 . 12 1 1 A 72 72 VAL N N 72 119.616 119.161 0.455 1
1 850 . 12 1 1 A 73 73 GLU H H 73 7.750 8.440 -0.690 1
1 851 . 12 1 1 A 73 73 GLU HA H 73 4.469 4.861 -0.392 1
1 856 . 12 1 1 A 73 73 GLU C C 73 178.456 174.420 4.036 1
1 857 . 12 1 1 A 73 73 GLU CA C 73 55.241 55.323 -0.082 1
1 858 . 12 1 1 A 73 73 GLU CB C 73 34.536 34.110 0.426 1
1 860 . 12 1 1 A 73 73 GLU N N 73 126.126 121.291 4.835 1
1 861 . 12 1 1 A 74 74 LEU H H 74 8.495 9.288 -0.793 1
1 862 . 12 1 1 A 74 74 LEU HA H 74 5.207 5.028 0.179 1
1 869 . 12 1 1 A 74 74 LEU C C 74 176.827 176.029 0.798 1
1 870 . 12 1 1 A 74 74 LEU CA C 74 52.600 54.133 -1.533 1
1 871 . 12 1 1 A 74 74 LEU CB C 74 45.404 43.401 2.003 1
1 874 . 12 1 1 A 74 74 LEU N N 74 123.821 126.008 -2.187 1
1 875 . 12 1 1 A 75 75 GLU H H 75 8.770 8.280 0.490 1
1 876 . 12 1 1 A 75 75 GLU HA H 75 5.127 4.084 1.043 1
1 881 . 12 1 1 A 75 75 GLU C C 75 176.617 176.281 0.336 1
1 882 . 12 1 1 A 75 75 GLU CA C 75 53.748 56.705 -2.957 1
1 883 . 12 1 1 A 75 75 GLU CB C 75 33.910 30.360 3.550 1
1 885 . 12 1 1 A 75 75 GLU N N 75 118.723 124.046 -5.323 1
1 886 . 12 1 1 A 76 76 CYS H H 76 9.354 8.435 0.919 1
1 887 . 12 1 1 A 76 76 CYS HA H 76 4.665 4.517 0.148 1
1 890 . 12 1 1 A 76 76 CYS C C 76 173.085 175.432 -2.347 1
1 891 . 12 1 1 A 76 76 CYS CA C 76 59.386 58.409 0.977 1
1 892 . 12 1 1 A 76 76 CYS CB C 76 32.476 28.774 3.702 1
1 893 . 12 1 1 A 76 76 CYS N N 76 128.378 121.134 7.244 1
1 894 . 12 1 1 A 77 77 LYS H H 77 9.328 8.658 0.670 1
1 895 . 12 1 1 A 77 77 LYS HA H 77 4.279 4.134 0.145 1
1 904 . 12 1 1 A 77 77 LYS C C 77 174.709 176.993 -2.284 1
1 905 . 12 1 1 A 77 77 LYS CA C 77 56.997 58.858 -1.861 1
1 906 . 12 1 1 A 77 77 LYS CB C 77 31.240 32.734 -1.494 1
1 910 . 12 1 1 A 77 77 LYS N N 77 129.264 125.151 4.113 1
1 911 . 12 1 1 A 78 78 ASP H H 78 9.182 8.143 1.039 1
1 912 . 12 1 1 A 78 78 ASP HA H 78 4.945 4.877 0.068 1
1 915 . 12 1 1 A 78 78 ASP C C 78 173.961 174.676 -0.715 1
1 916 . 12 1 1 A 78 78 ASP CA C 78 56.797 52.766 4.031 1
1 917 . 12 1 1 A 78 78 ASP CB C 78 42.214 41.315 0.899 1
1 918 . 12 1 1 A 78 78 ASP N N 78 122.206 116.334 5.872 1
1 919 . 12 1 1 A 79 79 CYS H H 79 9.871 8.045 1.826 1
1 920 . 12 1 1 A 79 79 CYS HA H 79 5.165 4.771 0.394 1
1 923 . 12 1 1 A 79 79 CYS C C 79 174.253 172.531 1.722 1
1 924 . 12 1 1 A 79 79 CYS CA C 79 59.123 57.747 1.376 1
1 925 . 12 1 1 A 79 79 CYS CB C 79 32.286 30.261 2.025 1
1 926 . 12 1 1 A 79 79 CYS N N 79 124.020 123.303 0.717 1
1 927 . 12 1 1 A 80 80 SER H H 80 7.667 8.551 -0.884 1
1 928 . 12 1 1 A 80 80 SER HA H 80 4.564 4.870 -0.306 1
1 931 . 12 1 1 A 80 80 SER C C 80 178.621 172.508 6.113 1
1 932 . 12 1 1 A 80 80 SER CA C 80 62.038 57.100 4.938 1
1 933 . 12 1 1 A 80 80 SER CB C 80 62.215 63.128 -0.913 1
1 934 . 12 1 1 A 80 80 SER N N 80 115.904 117.206 -1.302 1
1 935 . 12 1 1 A 81 81 HIS H H 81 8.916 8.039 0.877 1
1 936 . 12 1 1 A 81 81 HIS HA H 81 4.649 4.927 -0.278 1
1 941 . 12 1 1 A 81 81 HIS C C 81 178.299 172.999 5.300 1
1 942 . 12 1 1 A 81 81 HIS CA C 81 58.348 56.033 2.315 1
1 943 . 12 1 1 A 81 81 HIS CB C 81 33.016 33.053 -0.037 1
1 946 . 12 1 1 A 81 81 HIS N N 81 125.397 124.508 0.889 1
1 949 . 12 1 1 A 82 82 VAL H H 82 7.058 7.731 -0.673 1
1 950 . 12 1 1 A 82 82 VAL HA H 82 5.212 4.318 0.894 1
1 958 . 12 1 1 A 82 82 VAL C C 82 176.161 173.287 2.874 1
1 959 . 12 1 1 A 82 82 VAL CA C 82 60.567 59.780 0.787 1
1 960 . 12 1 1 A 82 82 VAL CB C 82 34.355 34.879 -0.524 1
1 963 . 12 1 1 A 82 82 VAL N N 82 125.314 123.242 2.072 1
1 964 . 12 1 1 A 83 83 PHE H H 83 8.883 8.512 0.371 1
1 965 . 12 1 1 A 83 83 PHE HA H 83 4.842 5.250 -0.408 1
1 972 . 12 1 1 A 83 83 PHE C C 83 179.687 173.079 6.608 1
1 973 . 12 1 1 A 83 83 PHE CA C 83 55.495 55.315 0.180 1
1 974 . 12 1 1 A 83 83 PHE CB C 83 40.651 41.435 -0.784 1
1 978 . 12 1 1 A 83 83 PHE N N 83 122.377 121.609 0.768 1
1 979 . 12 1 1 A 84 84 LYS H H 84 8.658 8.529 0.129 1
1 980 . 12 1 1 A 84 84 LYS HA H 84 5.001 4.799 0.202 1
1 989 . 12 1 1 A 84 84 LYS C C 84 176.705 176.024 0.681 1
1 990 . 12 1 1 A 84 84 LYS CA C 84 52.738 54.304 -1.566 1
1 991 . 12 1 1 A 84 84 LYS CB C 84 32.660 33.341 -0.681 1
1 995 . 12 1 1 A 84 84 LYS N N 84 121.116 117.474 3.642 1
1 996 . 12 1 1 A 85 85 PRO HA H 85 4.663 4.587 0.076 1
1 1003 . 12 1 1 A 85 85 PRO C C 85 174.722 177.176 -2.454 1
1 1004 . 12 1 1 A 85 85 PRO CA C 85 62.633 62.391 0.242 1
1 1005 . 12 1 1 A 85 85 PRO CB C 85 32.712 32.751 -0.039 1
1 1008 . 12 1 1 A 86 86 ASN H H 86 8.983 9.020 -0.037 1
1 1009 . 12 1 1 A 86 86 ASN HA H 86 4.704 4.289 0.415 1
1 1014 . 12 1 1 A 86 86 ASN C C 86 176.576 173.892 2.684 1
1 1015 . 12 1 1 A 86 86 ASN CA C 86 53.552 53.882 -0.330 1
1 1016 . 12 1 1 A 86 86 ASN CB C 86 39.208 36.974 2.234 1
1 1017 . 12 1 1 A 86 86 ASN N N 86 119.549 118.569 0.980 1
1 1019 . 12 1 1 A 87 87 ALA H H 87 8.122 7.814 0.308 1
1 1020 . 12 1 1 A 87 87 ALA HA H 87 4.369 4.820 -0.451 1
1 1024 . 12 1 1 A 87 87 ALA C C 87 174.154 176.068 -1.914 1
1 1025 . 12 1 1 A 87 87 ALA CA C 87 52.560 51.255 1.305 1
1 1026 . 12 1 1 A 87 87 ALA CB C 87 19.660 23.178 -3.518 1
1 1027 . 12 1 1 A 87 87 ALA N N 87 122.483 121.116 1.367 1
1 1028 . 12 1 1 A 88 88 LEU H H 88 8.195 8.503 -0.308 1
1 1029 . 12 1 1 A 88 88 LEU HA H 88 4.192 4.539 -0.347 1
1 1039 . 12 1 1 A 88 88 LEU C C 88 174.871 177.427 -2.556 1
1 1040 . 12 1 1 A 88 88 LEU CA C 88 55.691 55.365 0.326 1
1 1041 . 12 1 1 A 88 88 LEU CB C 88 41.708 43.410 -1.702 1
1 1045 . 12 1 1 A 88 88 LEU N N 88 118.730 117.840 0.890 1
1 1046 . 12 1 1 A 89 89 ASP H H 89 7.902 8.143 -0.241 1
1 1047 . 12 1 1 A 89 89 ASP HA H 89 4.601 4.453 0.148 1
1 1050 . 12 1 1 A 89 89 ASP C C 89 175.940 175.849 0.091 1
1 1051 . 12 1 1 A 89 89 ASP CA C 89 53.641 54.610 -0.969 1
1 1052 . 12 1 1 A 89 89 ASP CB C 89 40.953 41.256 -0.303 1
1 1053 . 12 1 1 A 89 89 ASP N N 89 118.577 118.303 0.274 1
1 1054 . 12 1 1 A 90 90 TYR H H 90 7.922 7.837 0.085 1
1 1055 . 12 1 1 A 90 90 TYR HA H 90 4.551 4.944 -0.393 1
1 1062 . 12 1 1 A 90 90 TYR C C 90 175.338 176.839 -1.501 1
1 1063 . 12 1 1 A 90 90 TYR CA C 90 57.505 56.580 0.925 1
1 1064 . 12 1 1 A 90 90 TYR CB C 90 38.147 37.601 0.546 1
1 1067 . 12 1 1 A 90 90 TYR N N 90 121.632 117.566 4.066 1
1 1068 . 12 1 1 A 91 91 GLY H H 91 8.313 8.402 -0.089 1
1 1069 . 12 1 1 A 91 91 GLY HA2 H 91 3.966 3.890 0.076 1
1 1070 . 12 1 1 A 91 91 GLY HA3 H 91 3.784 3.896 -0.112 1
1 1071 . 12 1 1 A 91 91 GLY C C 91 178.622 174.430 4.192 1
1 1072 . 12 1 1 A 91 91 GLY CA C 91 45.916 47.081 -1.165 1
1 1073 . 12 1 1 A 91 91 GLY N N 91 108.097 109.350 -1.253 1
1 1074 . 12 1 1 A 92 92 VAL H H 92 7.078 7.628 -0.550 1
1 1075 . 12 1 1 A 92 92 VAL HA H 92 4.810 4.335 0.475 1
1 1083 . 12 1 1 A 92 92 VAL C C 92 176.954 175.967 0.987 1
1 1084 . 12 1 1 A 92 92 VAL CA C 92 59.083 61.727 -2.644 1
1 1085 . 12 1 1 A 92 92 VAL CB C 92 35.602 33.200 2.402 1
1 1088 . 12 1 1 A 92 92 VAL N N 92 113.901 118.751 -4.850 1
1 1089 . 12 1 1 A 93 93 CYS H H 93 9.086 8.569 0.517 1
1 1090 . 12 1 1 A 93 93 CYS HA H 93 4.118 4.545 -0.427 1
1 1093 . 12 1 1 A 93 93 CYS C C 93 173.477 176.352 -2.875 1
1 1094 . 12 1 1 A 93 93 CYS CA C 93 60.511 60.247 0.264 1
1 1095 . 12 1 1 A 93 93 CYS CB C 93 31.124 28.564 2.560 1
1 1096 . 12 1 1 A 93 93 CYS N N 93 126.248 122.527 3.721 1
1 1097 . 12 1 1 A 94 94 GLU H H 94 5.667 9.194 -3.527 1
1 1098 . 12 1 1 A 94 94 GLU HA H 94 4.073 4.258 -0.185 1
1 1103 . 12 1 1 A 94 94 GLU C C 94 176.973 178.290 -1.317 1
1 1104 . 12 1 1 A 94 94 GLU CA C 94 57.434 58.972 -1.538 1
1 1105 . 12 1 1 A 94 94 GLU CB C 94 28.813 29.101 -0.288 1
1 1107 . 12 1 1 A 94 94 GLU N N 94 126.541 126.155 0.386 1
1 1108 . 12 1 1 A 95 95 LYS H H 95 9.002 6.969 2.033 1
1 1109 . 12 1 1 A 95 95 LYS HA H 95 4.076 4.163 -0.087 1
1 1118 . 12 1 1 A 95 95 LYS C C 95 174.890 176.565 -1.675 1
1 1119 . 12 1 1 A 95 95 LYS CA C 95 57.782 58.154 -0.372 1
1 1120 . 12 1 1 A 95 95 LYS CB C 95 34.056 33.262 0.794 1
1 1124 . 12 1 1 A 95 95 LYS N N 95 123.753 117.236 6.517 1
1 1125 . 12 1 1 A 96 96 CYS H H 96 9.063 7.637 1.426 1
1 1126 . 12 1 1 A 96 96 CYS HA H 96 4.755 4.555 0.200 1
1 1129 . 12 1 1 A 96 96 CYS C C 96 174.775 173.619 1.156 1
1 1130 . 12 1 1 A 96 96 CYS CA C 96 58.756 57.063 1.693 1
1 1131 . 12 1 1 A 96 96 CYS CB C 96 32.066 29.291 2.775 1
1 1132 . 12 1 1 A 96 96 CYS N N 96 120.699 115.513 5.186 1
1 1133 . 12 1 1 A 97 97 HIS H H 97 7.541 8.587 -1.046 1
1 1134 . 12 1 1 A 97 97 HIS HA H 97 4.474 4.837 -0.363 1
1 1139 . 12 1 1 A 97 97 HIS C C 97 178.193 174.418 3.775 1
1 1140 . 12 1 1 A 97 97 HIS CA C 97 57.481 54.778 2.703 1
1 1141 . 12 1 1 A 97 97 HIS CB C 97 27.126 27.625 -0.499 1
1 1144 . 12 1 1 A 97 97 HIS N N 97 116.676 125.335 -8.659 1
1 1147 . 12 1 1 A 98 98 SER H H 98 8.775 8.313 0.462 1
1 1148 . 12 1 1 A 98 98 SER HA H 98 4.322 5.023 -0.701 1
1 1151 . 12 1 1 A 98 98 SER C C 98 176.432 173.679 2.753 1
1 1152 . 12 1 1 A 98 98 SER CA C 98 58.923 57.397 1.526 1
1 1153 . 12 1 1 A 98 98 SER CB C 98 64.790 66.887 -2.097 1
1 1154 . 12 1 1 A 98 98 SER N N 98 116.989 117.578 -0.589 1
1 1155 . 12 1 1 A 99 99 LYS H H 99 8.567 8.766 -0.199 1
1 1156 . 12 1 1 A 99 99 LYS HA H 99 4.935 4.585 0.350 1
1 1165 . 12 1 1 A 99 99 LYS C C 99 173.648 177.267 -3.619 1
1 1166 . 12 1 1 A 99 99 LYS CA C 99 56.417 56.288 0.129 1
1 1167 . 12 1 1 A 99 99 LYS CB C 99 32.366 32.030 0.336 1
1 1171 . 12 1 1 A 99 99 LYS N N 99 122.510 124.374 -1.864 1
1 1172 . 12 1 1 A 100 100 ASN H H 100 9.426 8.389 1.037 1
1 1173 . 12 1 1 A 100 100 ASN HA H 100 4.916 4.587 0.329 1
1 1178 . 12 1 1 A 100 100 ASN C C 100 178.498 175.500 2.998 1
1 1179 . 12 1 1 A 100 100 ASN CA C 100 51.999 53.903 -1.904 1
1 1180 . 12 1 1 A 100 100 ASN CB C 100 36.539 37.581 -1.042 1
1 1181 . 12 1 1 A 100 100 ASN N N 100 124.489 117.708 6.781 1
1 1183 . 12 1 1 A 101 101 VAL H H 101 7.627 7.434 0.193 1
1 1184 . 12 1 1 A 101 101 VAL HA H 101 5.329 4.101 1.228 1
1 1192 . 12 1 1 A 101 101 VAL C C 101 175.484 176.112 -0.628 1
1 1193 . 12 1 1 A 101 101 VAL CA C 101 58.253 62.196 -3.943 1
1 1194 . 12 1 1 A 101 101 VAL CB C 101 34.692 32.360 2.332 1
1 1197 . 12 1 1 A 101 101 VAL N N 101 112.585 119.624 -7.039 1
1 1198 . 12 1 1 A 102 102 ILE H H 102 9.032 9.048 -0.016 1
1 1199 . 12 1 1 A 102 102 ILE HA H 102 4.671 4.817 -0.146 1
1 1209 . 12 1 1 A 102 102 ILE C C 102 177.283 174.468 2.815 1
1 1210 . 12 1 1 A 102 102 ILE CA C 102 58.979 58.492 0.487 1
1 1211 . 12 1 1 A 102 102 ILE CB C 102 41.970 41.559 0.411 1
1 1215 . 12 1 1 A 102 102 ILE N N 102 119.819 121.270 -1.451 1
1 1216 . 12 1 1 A 103 103 ILE H H 103 8.364 8.987 -0.623 1
1 1217 . 12 1 1 A 103 103 ILE HA H 103 4.527 4.316 0.211 1
1 1227 . 12 1 1 A 103 103 ILE C C 103 174.186 176.475 -2.289 1
1 1228 . 12 1 1 A 103 103 ILE CA C 103 61.366 61.408 -0.042 1
1 1229 . 12 1 1 A 103 103 ILE CB C 103 38.577 36.941 1.636 1
1 1233 . 12 1 1 A 103 103 ILE N N 103 123.325 125.447 -2.122 1
1 1234 . 12 1 1 A 104 104 THR H H 104 8.796 8.777 0.019 1
1 1235 . 12 1 1 A 104 104 THR HA H 104 4.260 4.399 -0.139 1
1 1240 . 12 1 1 A 104 104 THR C C 104 176.317 173.825 2.492 1
1 1241 . 12 1 1 A 104 104 THR CA C 104 62.708 63.556 -0.848 1
1 1242 . 12 1 1 A 104 104 THR CB C 104 68.431 69.598 -1.167 1
1 1244 . 12 1 1 A 104 104 THR N N 104 120.825 123.441 -2.616 1
1 1245 . 12 1 1 A 105 105 GLN H H 105 7.705 7.833 -0.128 1
1 1246 . 12 1 1 A 105 105 GLN HA H 105 4.482 4.625 -0.143 1
1 1253 . 12 1 1 A 105 105 GLN C C 105 177.316 175.346 1.970 1
1 1254 . 12 1 1 A 105 105 GLN CA C 105 55.621 55.200 0.421 1
1 1255 . 12 1 1 A 105 105 GLN CB C 105 31.897 31.442 0.455 1
1 1257 . 12 1 1 A 105 105 GLN N N 105 118.599 120.099 -1.500 1
1 1259 . 12 1 1 A 106 106 GLY H H 106 9.091 8.836 0.255 1
1 1260 . 12 1 1 A 106 106 GLY HA2 H 106 3.472 4.004 -0.532 1
1 1261 . 12 1 1 A 106 106 GLY HA3 H 106 4.255 4.012 0.243 1
1 1262 . 12 1 1 A 106 106 GLY C C 106 178.226 175.239 2.987 1
1 1263 . 12 1 1 A 106 106 GLY CA C 106 45.497 45.694 -0.197 1
1 1264 . 12 1 1 A 106 106 GLY N N 106 106.938 114.982 -8.044 1
1 1265 . 12 1 1 A 107 107 ASN H H 107 8.542 7.996 0.546 1
1 1266 . 12 1 1 A 107 107 ASN HA H 107 4.670 4.417 0.253 1
1 1271 . 12 1 1 A 107 107 ASN C C 107 176.917 174.922 1.995 1
1 1272 . 12 1 1 A 107 107 ASN CA C 107 52.697 55.790 -3.093 1
1 1273 . 12 1 1 A 107 107 ASN CB C 107 39.745 39.230 0.515 1
1 1274 . 12 1 1 A 107 107 ASN N N 107 117.838 120.186 -2.348 1
1 1276 . 12 1 1 A 108 108 GLU H H 108 8.050 7.747 0.303 1
1 1277 . 12 1 1 A 108 108 GLU HA H 108 4.638 4.712 -0.074 1
1 1282 . 12 1 1 A 108 108 GLU C C 108 176.463 175.850 0.613 1
1 1283 . 12 1 1 A 108 108 GLU CA C 108 55.693 54.497 1.196 1
1 1284 . 12 1 1 A 108 108 GLU CB C 108 32.643 34.663 -2.020 1
1 1286 . 12 1 1 A 108 108 GLU N N 108 118.542 115.650 2.892 1
1 1287 . 12 1 1 A 109 109 MET H H 109 8.431 8.525 -0.094 1
1 1288 . 12 1 1 A 109 109 MET HA H 109 5.236 4.658 0.578 1
1 1296 . 12 1 1 A 109 109 MET C C 109 176.443 175.631 0.812 1
1 1297 . 12 1 1 A 109 109 MET CA C 109 54.801 55.029 -0.228 1
1 1298 . 12 1 1 A 109 109 MET CB C 109 33.115 33.387 -0.272 1
1 1301 . 12 1 1 A 109 109 MET N N 109 121.401 120.530 0.871 1
1 1302 . 12 1 1 A 110 110 ARG H H 110 9.166 8.818 0.348 1
1 1303 . 12 1 1 A 110 110 ARG HA H 110 4.771 4.893 -0.122 1
1 1311 . 12 1 1 A 110 110 ARG C C 110 177.215 175.901 1.314 1
1 1312 . 12 1 1 A 110 110 ARG CA C 110 54.826 54.060 0.766 1
1 1313 . 12 1 1 A 110 110 ARG CB C 110 33.474 34.355 -0.881 1
1 1316 . 12 1 1 A 110 110 ARG N N 110 123.271 120.009 3.262 1
1 1318 . 12 1 1 A 111 111 LEU H H 111 8.874 8.448 0.426 1
1 1319 . 12 1 1 A 111 111 LEU HA H 111 4.335 4.391 -0.056 1
1 1329 . 12 1 1 A 111 111 LEU C C 111 175.976 176.433 -0.457 1
1 1330 . 12 1 1 A 111 111 LEU CA C 111 55.633 54.998 0.635 1
1 1331 . 12 1 1 A 111 111 LEU CB C 111 42.413 43.128 -0.715 1
1 1335 . 12 1 1 A 111 111 LEU N N 111 125.212 120.560 4.652 1
1 1336 . 12 1 1 A 112 112 LEU HA H 112 4.432 4.533 -0.101 1
1 1346 . 12 1 1 A 112 112 LEU C C 112 173.898 176.554 -2.656 1
1 1347 . 12 1 1 A 112 112 LEU CA C 112 56.230 55.944 0.286 1
1 1348 . 12 1 1 A 112 112 LEU CB C 112 42.688 43.710 -1.022 1
1 1352 . 12 1 1 A 113 113 SER H H 113 7.895 7.167 0.728 1
1 1353 . 12 1 1 A 113 113 SER HA H 113 4.509 4.674 -0.165 1
1 1356 . 12 1 1 A 113 113 SER C C 113 180.240 172.136 8.104 1
1 1357 . 12 1 1 A 113 113 SER CA C 113 58.129 56.734 1.395 1
1 1358 . 12 1 1 A 113 113 SER CB C 113 64.473 64.578 -0.105 1
1 1359 . 12 1 1 A 113 113 SER N N 113 110.894 109.379 1.515 1
1 1360 . 12 1 1 A 114 114 LEU H H 114 8.151 8.513 -0.362 1
1 1361 . 12 1 1 A 114 114 LEU HA H 114 5.086 5.088 -0.002 1
1 1371 . 12 1 1 A 114 114 LEU C C 114 175.777 175.497 0.280 1
1 1372 . 12 1 1 A 114 114 LEU CA C 114 53.830 53.728 0.102 1
1 1373 . 12 1 1 A 114 114 LEU CB C 114 46.471 46.922 -0.451 1
1 1377 . 12 1 1 A 114 114 LEU N N 114 120.671 122.654 -1.983 1
1 1378 . 12 1 1 A 115 115 GLU H H 115 8.666 8.925 -0.259 1
1 1379 . 12 1 1 A 115 115 GLU HA H 115 4.823 5.210 -0.387 1
1 1384 . 12 1 1 A 115 115 GLU C C 115 175.727 174.782 0.945 1
1 1385 . 12 1 1 A 115 115 GLU CA C 115 55.127 54.699 0.428 1
1 1386 . 12 1 1 A 115 115 GLU CB C 115 31.063 33.037 -1.974 1
1 1388 . 12 1 1 A 115 115 GLU N N 115 122.105 122.720 -0.615 1
1 1389 . 12 1 1 A 116 116 MET H H 116 9.159 9.100 0.059 1
1 1390 . 12 1 1 A 116 116 MET HA H 116 4.989 5.234 -0.245 1
1 1398 . 12 1 1 A 116 116 MET C C 116 177.447 175.684 1.763 1
1 1399 . 12 1 1 A 116 116 MET CA C 116 54.669 54.370 0.299 1
1 1400 . 12 1 1 A 116 116 MET CB C 116 36.107 34.837 1.270 1
1 1403 . 12 1 1 A 116 116 MET N N 116 123.947 124.972 -1.025 1
1 1404 . 12 1 1 A 117 117 LEU H H 117 8.573 8.727 -0.154 1
1 1405 . 12 1 1 A 117 117 LEU HA H 117 4.670 4.266 0.404 1
1 1412 . 12 1 1 A 117 117 LEU C C 117 175.990 177.062 -1.072 1
1 1413 . 12 1 1 A 117 117 LEU CA C 117 54.549 55.601 -1.052 1
1 1414 . 12 1 1 A 117 117 LEU CB C 117 44.045 41.144 2.901 1
1 1417 . 12 1 1 A 117 117 LEU N N 117 122.478 127.227 -4.749 1
1 1418 . 12 1 1 A 118 118 ALA H H 118 8.714 8.929 -0.215 1
1 1419 . 12 1 1 A 118 118 ALA HA H 118 4.604 4.170 0.434 1
1 1423 . 12 1 1 A 118 118 ALA C C 118 175.279 178.844 -3.565 1
1 1424 . 12 1 1 A 118 118 ALA CA C 118 52.155 54.309 -2.154 1
1 1425 . 12 1 1 A 118 118 ALA CB C 118 20.444 18.627 1.817 1
1 1426 . 12 1 1 A 118 118 ALA N N 118 127.701 128.435 -0.734 1
1 4 . 13 1 1 A 2 2 SER HA H 2 4.544 4.400 0.144 1
1 7 . 13 1 1 A 2 2 SER CA C 2 58.424 60.597 -2.173 1
1 8 . 13 1 1 A 2 2 SER CB C 2 64.017 63.405 0.612 1
1 13 . 13 1 1 A 4 4 HIS HA H 4 4.504 4.138 0.366 1
1 17 . 13 1 1 A 4 4 HIS C C 4 175.043 177.153 -2.110 1
1 18 . 13 1 1 A 4 4 HIS CA C 4 58.574 60.658 -2.084 1
1 19 . 13 1 1 A 4 4 HIS CB C 4 30.859 30.276 0.583 1
1 20 . 13 1 1 A 5 5 GLU H H 5 10.002 8.179 1.823 1
1 21 . 13 1 1 A 5 5 GLU HA H 5 3.831 3.920 -0.089 1
1 26 . 13 1 1 A 5 5 GLU C C 5 173.758 177.322 -3.564 1
1 27 . 13 1 1 A 5 5 GLU CA C 5 61.822 59.051 2.771 1
1 28 . 13 1 1 A 5 5 GLU CB C 5 28.884 29.369 -0.485 1
1 30 . 13 1 1 A 5 5 GLU N N 5 120.850 118.385 2.465 1
1 31 . 13 1 1 A 6 6 TYR H H 6 8.163 7.697 0.466 1
1 32 . 13 1 1 A 6 6 TYR HA H 6 4.066 4.724 -0.658 1
1 39 . 13 1 1 A 6 6 TYR C C 6 173.754 176.908 -3.154 1
1 40 . 13 1 1 A 6 6 TYR CA C 6 61.029 58.352 2.677 1
1 41 . 13 1 1 A 6 6 TYR CB C 6 37.391 40.167 -2.776 1
1 44 . 13 1 1 A 6 6 TYR N N 6 117.171 116.721 0.450 1
1 45 . 13 1 1 A 7 7 SER H H 7 7.929 8.214 -0.285 1
1 46 . 13 1 1 A 7 7 SER HA H 7 4.265 4.085 0.180 1
1 49 . 13 1 1 A 7 7 SER C C 7 174.434 177.335 -2.901 1
1 50 . 13 1 1 A 7 7 SER CA C 7 61.471 61.790 -0.319 1
1 51 . 13 1 1 A 7 7 SER CB C 7 62.686 63.084 -0.398 1
1 52 . 13 1 1 A 7 7 SER N N 7 116.417 116.318 0.099 1
1 53 . 13 1 1 A 8 8 VAL H H 8 8.088 7.767 0.321 1
1 54 . 13 1 1 A 8 8 VAL HA H 8 3.795 3.688 0.107 1
1 62 . 13 1 1 A 8 8 VAL C C 8 172.652 177.918 -5.266 1
1 63 . 13 1 1 A 8 8 VAL CA C 8 66.036 65.349 0.687 1
1 64 . 13 1 1 A 8 8 VAL CB C 8 31.811 31.313 0.498 1
1 67 . 13 1 1 A 8 8 VAL N N 8 122.514 119.828 2.686 1
1 68 . 13 1 1 A 9 9 VAL H H 9 8.255 8.402 -0.147 1
1 69 . 13 1 1 A 9 9 VAL HA H 9 3.539 3.777 -0.238 1
1 77 . 13 1 1 A 9 9 VAL C C 9 174.142 178.183 -4.041 1
1 78 . 13 1 1 A 9 9 VAL CA C 9 67.201 67.117 0.084 1
1 79 . 13 1 1 A 9 9 VAL CB C 9 30.859 31.769 -0.910 1
1 82 . 13 1 1 A 9 9 VAL N N 9 120.829 122.139 -1.310 1
1 83 . 13 1 1 A 10 10 SER H H 10 8.179 8.448 -0.269 1
1 84 . 13 1 1 A 10 10 SER HA H 10 3.726 3.976 -0.250 1
1 87 . 13 1 1 A 10 10 SER C C 10 173.669 177.384 -3.715 1
1 88 . 13 1 1 A 10 10 SER CA C 10 62.397 61.599 0.798 1
1 89 . 13 1 1 A 10 10 SER CB C 10 62.470 62.782 -0.312 1
1 90 . 13 1 1 A 10 10 SER N N 10 115.937 115.462 0.475 1
1 91 . 13 1 1 A 11 11 SER H H 11 7.860 8.053 -0.193 1
1 92 . 13 1 1 A 11 11 SER HA H 11 4.312 4.137 0.175 1
1 95 . 13 1 1 A 11 11 SER C C 11 174.888 177.505 -2.617 1
1 96 . 13 1 1 A 11 11 SER CA C 11 61.863 61.645 0.218 1
1 97 . 13 1 1 A 11 11 SER CB C 11 62.638 63.192 -0.554 1
1 98 . 13 1 1 A 11 11 SER N N 11 117.940 115.690 2.250 1
1 99 . 13 1 1 A 12 12 LEU H H 12 8.197 8.225 -0.028 1
1 100 . 13 1 1 A 12 12 LEU HA H 12 4.331 3.969 0.362 1
1 110 . 13 1 1 A 12 12 LEU C C 12 172.791 179.103 -6.312 1
1 111 . 13 1 1 A 12 12 LEU CA C 12 58.035 58.245 -0.210 1
1 112 . 13 1 1 A 12 12 LEU CB C 12 42.062 42.192 -0.130 1
1 116 . 13 1 1 A 12 12 LEU N N 12 125.411 121.685 3.726 1
1 117 . 13 1 1 A 13 13 ILE H H 13 8.689 8.507 0.182 1
1 118 . 13 1 1 A 13 13 ILE HA H 13 3.654 3.708 -0.054 1
1 128 . 13 1 1 A 13 13 ILE C C 13 173.945 177.952 -4.007 1
1 129 . 13 1 1 A 13 13 ILE CA C 13 65.287 65.942 -0.655 1
1 130 . 13 1 1 A 13 13 ILE CB C 13 36.843 37.573 -0.730 1
1 134 . 13 1 1 A 13 13 ILE N N 13 121.352 119.186 2.166 1
1 135 . 13 1 1 A 14 14 ALA H H 14 7.692 8.351 -0.659 1
1 136 . 13 1 1 A 14 14 ALA HA H 14 4.218 4.087 0.131 1
1 140 . 13 1 1 A 14 14 ALA C C 14 170.805 179.749 -8.944 1
1 141 . 13 1 1 A 14 14 ALA CA C 14 55.484 55.320 0.164 1
1 142 . 13 1 1 A 14 14 ALA CB C 14 17.698 18.218 -0.520 1
1 143 . 13 1 1 A 14 14 ALA N N 14 121.374 122.704 -1.330 1
1 144 . 13 1 1 A 15 15 LEU H H 15 8.040 8.360 -0.320 1
1 145 . 13 1 1 A 15 15 LEU HA H 15 4.253 3.641 0.612 1
1 152 . 13 1 1 A 15 15 LEU C C 15 171.818 178.239 -6.421 1
1 153 . 13 1 1 A 15 15 LEU CA C 15 58.208 57.861 0.347 1
1 154 . 13 1 1 A 15 15 LEU CB C 15 42.286 41.703 0.583 1
1 157 . 13 1 1 A 15 15 LEU N N 15 121.328 117.992 3.336 1
1 158 . 13 1 1 A 16 16 CYS H H 16 8.587 8.545 0.042 1
1 159 . 13 1 1 A 16 16 CYS HA H 16 3.954 4.143 -0.189 1
1 162 . 13 1 1 A 16 16 CYS C C 16 174.494 176.736 -2.242 1
1 163 . 13 1 1 A 16 16 CYS CA C 16 64.933 62.822 2.111 1
1 164 . 13 1 1 A 16 16 CYS CB C 16 26.960 26.988 -0.028 1
1 165 . 13 1 1 A 16 16 CYS N N 16 118.908 118.414 0.494 1
1 166 . 13 1 1 A 17 17 GLU H H 17 8.576 8.203 0.373 1
1 167 . 13 1 1 A 17 17 GLU HA H 17 3.806 3.964 -0.158 1
1 172 . 13 1 1 A 17 17 GLU C C 17 172.225 178.660 -6.435 1
1 173 . 13 1 1 A 17 17 GLU CA C 17 60.306 59.878 0.428 1
1 174 . 13 1 1 A 17 17 GLU CB C 17 29.130 28.987 0.143 1
1 176 . 13 1 1 A 17 17 GLU N N 17 118.419 120.681 -2.262 1
1 177 . 13 1 1 A 18 18 GLU H H 18 8.156 8.043 0.113 1
1 178 . 13 1 1 A 18 18 GLU HA H 18 4.115 4.006 0.109 1
1 183 . 13 1 1 A 18 18 GLU C C 18 172.241 179.322 -7.081 1
1 184 . 13 1 1 A 18 18 GLU CA C 18 59.507 59.432 0.075 1
1 185 . 13 1 1 A 18 18 GLU CB C 18 29.335 29.481 -0.146 1
1 187 . 13 1 1 A 18 18 GLU N N 18 121.603 119.212 2.391 1
1 188 . 13 1 1 A 19 19 HIS H H 19 8.379 8.096 0.283 1
1 189 . 13 1 1 A 19 19 HIS HA H 19 4.174 4.396 -0.222 1
1 194 . 13 1 1 A 19 19 HIS C C 19 172.511 177.623 -5.112 1
1 195 . 13 1 1 A 19 19 HIS CA C 19 60.525 59.440 1.085 1
1 196 . 13 1 1 A 19 19 HIS CB C 19 31.354 30.082 1.272 1
1 198 . 13 1 1 A 19 19 HIS N N 19 119.634 119.058 0.576 1
1 201 . 13 1 1 A 20 20 ALA H H 20 8.568 8.330 0.238 1
1 202 . 13 1 1 A 20 20 ALA HA H 20 4.143 3.873 0.270 1
1 206 . 13 1 1 A 20 20 ALA C C 20 172.155 179.213 -7.058 1
1 207 . 13 1 1 A 20 20 ALA CA C 20 55.716 55.362 0.354 1
1 208 . 13 1 1 A 20 20 ALA CB C 20 17.682 18.364 -0.682 1
1 209 . 13 1 1 A 20 20 ALA N N 20 122.453 121.669 0.784 1
1 210 . 13 1 1 A 21 21 LYS H H 21 8.055 7.912 0.143 1
1 211 . 13 1 1 A 21 21 LYS HA H 21 4.128 3.748 0.380 1
1 220 . 13 1 1 A 21 21 LYS C C 21 170.753 178.760 -8.007 1
1 221 . 13 1 1 A 21 21 LYS CA C 21 59.469 59.129 0.340 1
1 222 . 13 1 1 A 21 21 LYS CB C 21 32.369 31.958 0.411 1
1 226 . 13 1 1 A 21 21 LYS N N 21 118.604 116.508 2.096 1
1 227 . 13 1 1 A 22 22 LYS H H 22 8.092 7.582 0.510 1
1 228 . 13 1 1 A 22 22 LYS HA H 22 4.100 4.028 0.072 1
1 237 . 13 1 1 A 22 22 LYS C C 22 174.300 178.176 -3.876 1
1 238 . 13 1 1 A 22 22 LYS CA C 22 58.920 59.192 -0.272 1
1 239 . 13 1 1 A 22 22 LYS CB C 22 32.406 32.297 0.109 1
1 243 . 13 1 1 A 22 22 LYS N N 22 119.468 119.698 -0.230 1
1 244 . 13 1 1 A 23 23 ASN H H 23 7.461 7.857 -0.396 1
1 245 . 13 1 1 A 23 23 ASN HA H 23 4.710 4.778 -0.068 1
1 248 . 13 1 1 A 23 23 ASN C C 23 178.526 174.769 3.757 1
1 249 . 13 1 1 A 23 23 ASN CA C 23 53.514 53.307 0.207 1
1 250 . 13 1 1 A 23 23 ASN CB C 23 40.124 38.952 1.172 1
1 251 . 13 1 1 A 23 23 ASN N N 23 115.166 116.942 -1.776 1
1 252 . 13 1 1 A 24 24 GLN H H 24 7.879 7.877 0.002 1
1 253 . 13 1 1 A 24 24 GLN HA H 24 3.927 3.722 0.205 1
1 260 . 13 1 1 A 24 24 GLN C C 24 177.284 175.336 1.948 1
1 261 . 13 1 1 A 24 24 GLN CA C 24 57.083 56.796 0.287 1
1 262 . 13 1 1 A 24 24 GLN CB C 24 26.400 25.884 0.516 1
1 264 . 13 1 1 A 24 24 GLN N N 24 116.046 116.383 -0.337 1
1 266 . 13 1 1 A 25 25 ALA H H 25 8.491 8.190 0.301 1
1 267 . 13 1 1 A 25 25 ALA HA H 25 4.600 4.114 0.486 1
1 271 . 13 1 1 A 25 25 ALA C C 25 174.729 178.096 -3.367 1
1 272 . 13 1 1 A 25 25 ALA CA C 25 51.416 54.354 -2.938 1
1 273 . 13 1 1 A 25 25 ALA CB C 25 21.350 19.250 2.100 1
1 274 . 13 1 1 A 25 25 ALA N N 25 120.372 120.642 -0.270 1
1 275 . 13 1 1 A 26 26 HIS H H 26 8.476 7.764 0.712 1
1 276 . 13 1 1 A 26 26 HIS HA H 26 4.736 4.215 0.521 1
1 280 . 13 1 1 A 26 26 HIS C C 26 176.751 173.912 2.839 1
1 281 . 13 1 1 A 26 26 HIS CA C 26 56.211 57.313 -1.102 1
1 282 . 13 1 1 A 26 26 HIS CB C 26 31.838 27.221 4.617 1
1 284 . 13 1 1 A 26 26 HIS N N 26 117.648 112.352 5.296 1
1 285 . 13 1 1 A 27 27 LYS H H 27 7.540 7.678 -0.138 1
1 286 . 13 1 1 A 27 27 LYS HA H 27 4.766 4.904 -0.138 1
1 295 . 13 1 1 A 27 27 LYS C C 27 176.918 174.655 2.263 1
1 296 . 13 1 1 A 27 27 LYS CA C 27 55.877 54.787 1.090 1
1 297 . 13 1 1 A 27 27 LYS CB C 27 36.796 36.977 -0.181 1
1 301 . 13 1 1 A 27 27 LYS N N 27 116.451 118.329 -1.878 1
1 302 . 13 1 1 A 28 28 ILE H H 28 8.320 8.560 -0.240 1
1 303 . 13 1 1 A 28 28 ILE HA H 28 4.319 4.808 -0.489 1
1 310 . 13 1 1 A 28 28 ILE C C 28 176.921 176.457 0.464 1
1 311 . 13 1 1 A 28 28 ILE CA C 28 60.552 59.631 0.921 1
1 312 . 13 1 1 A 28 28 ILE CB C 28 38.843 40.303 -1.460 1
1 313 . 13 1 1 A 28 28 ILE N N 28 123.140 122.260 0.880 1
1 314 . 13 1 1 A 29 29 GLU H H 29 9.001 9.349 -0.348 1
1 315 . 13 1 1 A 29 29 GLU HA H 29 4.446 4.427 0.019 1
1 320 . 13 1 1 A 29 29 GLU C C 29 174.406 176.371 -1.965 1
1 321 . 13 1 1 A 29 29 GLU CA C 29 57.363 58.096 -0.733 1
1 322 . 13 1 1 A 29 29 GLU CB C 29 31.761 31.000 0.761 1
1 324 . 13 1 1 A 29 29 GLU N N 29 125.872 125.830 0.042 1
1 325 . 13 1 1 A 30 30 ARG H H 30 7.654 7.585 0.069 1
1 326 . 13 1 1 A 30 30 ARG HA H 30 5.282 5.001 0.281 1
1 334 . 13 1 1 A 30 30 ARG C C 30 178.750 174.031 4.719 1
1 335 . 13 1 1 A 30 30 ARG CA C 30 55.558 54.943 0.615 1
1 336 . 13 1 1 A 30 30 ARG CB C 30 34.774 33.725 1.049 1
1 338 . 13 1 1 A 30 30 ARG N N 30 119.436 115.687 3.749 1
1 340 . 13 1 1 A 31 31 VAL H H 31 9.234 8.910 0.324 1
1 341 . 13 1 1 A 31 31 VAL HA H 31 4.397 4.966 -0.569 1
1 349 . 13 1 1 A 31 31 VAL C C 31 178.662 174.427 4.235 1
1 350 . 13 1 1 A 31 31 VAL CA C 31 60.882 59.524 1.358 1
1 351 . 13 1 1 A 31 31 VAL CB C 31 34.494 34.538 -0.044 1
1 354 . 13 1 1 A 31 31 VAL N N 31 127.428 114.828 12.600 1
1 355 . 13 1 1 A 32 32 VAL H H 32 8.626 8.759 -0.133 1
1 356 . 13 1 1 A 32 32 VAL HA H 32 5.039 5.039 0.000 1
1 364 . 13 1 1 A 32 32 VAL C C 32 175.519 174.145 1.374 1
1 365 . 13 1 1 A 32 32 VAL CA C 32 60.917 60.559 0.358 1
1 366 . 13 1 1 A 32 32 VAL CB C 32 31.892 34.288 -2.396 1
1 368 . 13 1 1 A 32 32 VAL N N 32 126.581 121.797 4.784 1
1 369 . 13 1 1 A 33 33 VAL H H 33 8.802 9.376 -0.574 1
1 370 . 13 1 1 A 33 33 VAL HA H 33 4.917 4.949 -0.032 1
1 378 . 13 1 1 A 33 33 VAL C C 33 178.038 173.535 4.503 1
1 379 . 13 1 1 A 33 33 VAL CA C 33 58.975 59.745 -0.770 1
1 380 . 13 1 1 A 33 33 VAL CB C 33 35.109 34.989 0.120 1
1 383 . 13 1 1 A 33 33 VAL N N 33 122.994 128.619 -5.625 1
1 384 . 13 1 1 A 34 34 GLY H H 34 9.535 9.072 0.463 1
1 385 . 13 1 1 A 34 34 GLY HA2 H 34 5.187 4.120 1.067 1
1 386 . 13 1 1 A 34 34 GLY HA3 H 34 3.404 4.126 -0.722 1
1 387 . 13 1 1 A 34 34 GLY C C 34 178.060 172.097 5.963 1
1 388 . 13 1 1 A 34 34 GLY CA C 34 44.108 45.159 -1.051 1
1 389 . 13 1 1 A 34 34 GLY N N 34 112.269 113.994 -1.725 1
1 390 . 13 1 1 A 35 35 ILE H H 35 8.761 8.982 -0.221 1
1 391 . 13 1 1 A 35 35 ILE HA H 35 4.340 4.467 -0.127 1
1 401 . 13 1 1 A 35 35 ILE C C 35 174.823 176.385 -1.562 1
1 402 . 13 1 1 A 35 35 ILE CA C 35 60.287 59.931 0.356 1
1 403 . 13 1 1 A 35 35 ILE CB C 35 39.357 38.695 0.662 1
1 407 . 13 1 1 A 35 35 ILE N N 35 123.848 127.034 -3.186 1
1 408 . 13 1 1 A 36 36 GLY H H 36 8.439 8.491 -0.052 1
1 409 . 13 1 1 A 36 36 GLY HA2 H 36 3.321 4.080 -0.759 1
1 410 . 13 1 1 A 36 36 GLY HA3 H 36 4.444 4.084 0.360 1
1 411 . 13 1 1 A 36 36 GLY C C 36 175.743 175.240 0.503 1
1 412 . 13 1 1 A 36 36 GLY CA C 36 46.389 45.663 0.726 1
1 413 . 13 1 1 A 36 36 GLY N N 36 117.219 113.786 3.433 1
1 414 . 13 1 1 A 37 37 GLU H H 37 8.756 8.955 -0.199 1
1 415 . 13 1 1 A 37 37 GLU HA H 37 4.277 4.110 0.167 1
1 420 . 13 1 1 A 37 37 GLU C C 37 174.413 176.908 -2.495 1
1 421 . 13 1 1 A 37 37 GLU CA C 37 58.568 58.786 -0.218 1
1 422 . 13 1 1 A 37 37 GLU CB C 37 29.809 29.153 0.656 1
1 424 . 13 1 1 A 37 37 GLU N N 37 124.260 121.816 2.444 1
1 425 . 13 1 1 A 38 38 ARG H H 38 8.483 7.813 0.670 1
1 426 . 13 1 1 A 38 38 ARG HA H 38 4.594 4.508 0.086 1
1 434 . 13 1 1 A 38 38 ARG C C 38 175.250 176.588 -1.338 1
1 435 . 13 1 1 A 38 38 ARG CA C 38 54.916 55.721 -0.805 1
1 436 . 13 1 1 A 38 38 ARG CB C 38 29.706 30.856 -1.150 1
1 439 . 13 1 1 A 38 38 ARG N N 38 117.248 119.507 -2.259 1
1 441 . 13 1 1 A 39 39 SER H H 39 7.630 7.643 -0.013 1
1 442 . 13 1 1 A 39 39 SER HA H 39 4.139 4.242 -0.103 1
1 445 . 13 1 1 A 39 39 SER C C 39 176.694 174.003 2.691 1
1 446 . 13 1 1 A 39 39 SER CA C 39 59.524 61.644 -2.120 1
1 447 . 13 1 1 A 39 39 SER CB C 39 64.248 63.413 0.835 1
1 448 . 13 1 1 A 39 39 SER N N 39 115.086 115.163 -0.077 1
1 449 . 13 1 1 A 40 40 ALA H H 40 8.667 7.872 0.795 1
1 450 . 13 1 1 A 40 40 ALA HA H 40 4.267 4.012 0.255 1
1 454 . 13 1 1 A 40 40 ALA C C 40 174.406 176.310 -1.904 1
1 455 . 13 1 1 A 40 40 ALA CA C 40 52.641 53.699 -1.058 1
1 456 . 13 1 1 A 40 40 ALA CB C 40 17.976 18.231 -0.255 1
1 457 . 13 1 1 A 40 40 ALA N N 40 126.133 122.340 3.793 1
1 458 . 13 1 1 A 41 41 MET H H 41 7.793 7.758 0.035 1
1 459 . 13 1 1 A 41 41 MET HA H 41 4.389 4.447 -0.058 1
1 467 . 13 1 1 A 41 41 MET C C 41 176.689 175.238 1.451 1
1 468 . 13 1 1 A 41 41 MET CA C 41 55.965 54.449 1.516 1
1 469 . 13 1 1 A 41 41 MET CB C 41 34.761 32.882 1.879 1
1 472 . 13 1 1 A 41 41 MET N N 41 117.758 117.319 0.439 1
1 473 . 13 1 1 A 42 42 ASP H H 42 9.667 8.682 0.985 1
1 474 . 13 1 1 A 42 42 ASP HA H 42 4.706 4.628 0.078 1
1 477 . 13 1 1 A 42 42 ASP C C 42 174.559 178.032 -3.473 1
1 478 . 13 1 1 A 42 42 ASP CA C 42 53.363 54.433 -1.070 1
1 479 . 13 1 1 A 42 42 ASP CB C 42 41.740 40.276 1.464 1
1 480 . 13 1 1 A 42 42 ASP N N 42 125.565 124.042 1.523 1
1 481 . 13 1 1 A 43 43 LYS H H 43 8.928 8.575 0.353 1
1 482 . 13 1 1 A 43 43 LYS HA H 43 3.752 4.172 -0.420 1
1 491 . 13 1 1 A 43 43 LYS C C 43 173.737 178.599 -4.862 1
1 492 . 13 1 1 A 43 43 LYS CA C 43 60.966 59.210 1.756 1
1 493 . 13 1 1 A 43 43 LYS CB C 43 32.585 32.014 0.571 1
1 497 . 13 1 1 A 43 43 LYS N N 43 127.256 124.931 2.325 1
1 498 . 13 1 1 A 44 44 SER H H 44 8.327 7.802 0.525 1
1 499 . 13 1 1 A 44 44 SER HA H 44 4.009 4.290 -0.281 1
1 502 . 13 1 1 A 44 44 SER C C 44 174.032 177.547 -3.515 1
1 503 . 13 1 1 A 44 44 SER CA C 44 62.461 61.214 1.247 1
1 504 . 13 1 1 A 44 44 SER CB C 44 62.281 62.869 -0.588 1
1 505 . 13 1 1 A 44 44 SER N N 44 114.797 115.178 -0.381 1
1 506 . 13 1 1 A 45 45 LEU H H 45 7.878 8.119 -0.241 1
1 507 . 13 1 1 A 45 45 LEU HA H 45 4.254 4.080 0.174 1
1 517 . 13 1 1 A 45 45 LEU C C 45 172.915 178.999 -6.084 1
1 518 . 13 1 1 A 45 45 LEU CA C 45 57.128 58.512 -1.384 1
1 519 . 13 1 1 A 45 45 LEU CB C 45 41.738 41.929 -0.191 1
1 523 . 13 1 1 A 45 45 LEU N N 45 124.570 122.717 1.853 1
1 524 . 13 1 1 A 46 46 PHE H H 46 8.343 8.388 -0.045 1
1 525 . 13 1 1 A 46 46 PHE HA H 46 3.882 4.135 -0.253 1
1 532 . 13 1 1 A 46 46 PHE C C 46 175.104 177.167 -2.063 1
1 533 . 13 1 1 A 46 46 PHE CA C 46 61.820 61.675 0.145 1
1 534 . 13 1 1 A 46 46 PHE CB C 46 40.047 39.299 0.748 1
1 537 . 13 1 1 A 46 46 PHE N N 46 121.059 119.711 1.348 1
1 538 . 13 1 1 A 47 47 VAL H H 47 8.370 8.209 0.161 1
1 539 . 13 1 1 A 47 47 VAL HA H 47 3.466 3.429 0.037 1
1 547 . 13 1 1 A 47 47 VAL C C 47 173.353 177.844 -4.491 1
1 548 . 13 1 1 A 47 47 VAL CA C 47 67.220 64.608 2.612 1
1 549 . 13 1 1 A 47 47 VAL CB C 47 31.927 31.166 0.761 1
1 552 . 13 1 1 A 47 47 VAL N N 47 118.023 119.154 -1.131 1
1 553 . 13 1 1 A 48 48 SER H H 48 7.967 8.161 -0.194 1
1 554 . 13 1 1 A 48 48 SER HA H 48 4.268 4.051 0.217 1
1 557 . 13 1 1 A 48 48 SER C C 48 174.187 177.133 -2.946 1
1 558 . 13 1 1 A 48 48 SER CA C 48 61.789 61.448 0.341 1
1 559 . 13 1 1 A 48 48 SER CB C 48 62.761 63.089 -0.328 1
1 560 . 13 1 1 A 48 48 SER N N 48 114.372 117.172 -2.800 1
1 561 . 13 1 1 A 49 49 ALA H H 49 8.489 7.929 0.560 1
1 562 . 13 1 1 A 49 49 ALA HA H 49 3.931 4.073 -0.142 1
1 566 . 13 1 1 A 49 49 ALA C C 49 172.626 179.379 -6.753 1
1 567 . 13 1 1 A 49 49 ALA CA C 49 55.067 54.954 0.113 1
1 568 . 13 1 1 A 49 49 ALA CB C 49 17.587 18.527 -0.940 1
1 569 . 13 1 1 A 49 49 ALA N N 49 124.199 123.365 0.834 1
1 570 . 13 1 1 A 50 50 PHE H H 50 8.510 8.427 0.083 1
1 571 . 13 1 1 A 50 50 PHE HA H 50 3.763 4.050 -0.287 1
1 578 . 13 1 1 A 50 50 PHE C C 50 174.923 177.408 -2.485 1
1 579 . 13 1 1 A 50 50 PHE CA C 50 63.098 61.640 1.458 1
1 580 . 13 1 1 A 50 50 PHE CB C 50 39.465 39.047 0.418 1
1 583 . 13 1 1 A 50 50 PHE N N 50 120.967 119.658 1.309 1
1 584 . 13 1 1 A 51 51 GLU H H 51 8.561 8.609 -0.048 1
1 585 . 13 1 1 A 51 51 GLU HA H 51 3.717 3.827 -0.110 1
1 590 . 13 1 1 A 51 51 GLU C C 51 173.002 179.027 -6.025 1
1 591 . 13 1 1 A 51 51 GLU CA C 51 59.750 59.499 0.251 1
1 592 . 13 1 1 A 51 51 GLU CB C 51 29.330 29.183 0.147 1
1 594 . 13 1 1 A 51 51 GLU N N 51 116.915 117.738 -0.823 1
1 595 . 13 1 1 A 52 52 THR H H 52 7.759 8.302 -0.543 1
1 596 . 13 1 1 A 52 52 THR HA H 52 4.090 3.771 0.319 1
1 601 . 13 1 1 A 52 52 THR C C 52 174.897 175.705 -0.808 1
1 602 . 13 1 1 A 52 52 THR CA C 52 65.899 66.278 -0.379 1
1 603 . 13 1 1 A 52 52 THR CB C 52 69.172 68.540 0.632 1
1 605 . 13 1 1 A 52 52 THR N N 52 114.348 115.849 -1.501 1
1 606 . 13 1 1 A 53 53 PHE H H 53 8.725 7.609 1.116 1
1 607 . 13 1 1 A 53 53 PHE HA H 53 4.335 4.614 -0.279 1
1 614 . 13 1 1 A 53 53 PHE C C 53 172.389 176.413 -4.024 1
1 615 . 13 1 1 A 53 53 PHE CA C 53 60.011 58.199 1.812 1
1 616 . 13 1 1 A 53 53 PHE CB C 53 38.244 38.296 -0.052 1
1 619 . 13 1 1 A 53 53 PHE N N 53 120.493 116.951 3.542 1
1 620 . 13 1 1 A 54 54 ARG H H 54 8.579 8.143 0.436 1
1 621 . 13 1 1 A 54 54 ARG HA H 54 3.626 3.848 -0.222 1
1 625 . 13 1 1 A 54 54 ARG C C 54 175.195 177.270 -2.075 1
1 626 . 13 1 1 A 54 54 ARG CA C 54 59.252 58.654 0.598 1
1 627 . 13 1 1 A 54 54 ARG CB C 54 26.544 29.689 -3.145 1
1 629 . 13 1 1 A 54 54 ARG N N 54 119.132 119.638 -0.506 1
1 631 . 13 1 1 A 55 55 GLU H H 55 6.758 8.151 -1.393 1
1 632 . 13 1 1 A 55 55 GLU HA H 55 3.983 4.178 -0.195 1
1 637 . 13 1 1 A 55 55 GLU C C 55 174.356 177.994 -3.638 1
1 638 . 13 1 1 A 55 55 GLU CA C 55 58.002 58.372 -0.370 1
1 639 . 13 1 1 A 55 55 GLU CB C 55 29.865 29.461 0.404 1
1 641 . 13 1 1 A 55 55 GLU N N 55 115.466 118.211 -2.745 1
1 642 . 13 1 1 A 56 56 GLU H H 56 7.245 8.105 -0.860 1
1 643 . 13 1 1 A 56 56 GLU HA H 56 4.294 4.224 0.070 1
1 648 . 13 1 1 A 56 56 GLU C C 56 175.946 176.069 -0.123 1
1 649 . 13 1 1 A 56 56 GLU CA C 56 55.827 57.778 -1.951 1
1 650 . 13 1 1 A 56 56 GLU CB C 56 30.030 29.876 0.154 1
1 652 . 13 1 1 A 56 56 GLU N N 56 114.653 118.030 -3.377 1
1 653 . 13 1 1 A 57 57 SER H H 57 7.405 7.977 -0.572 1
1 654 . 13 1 1 A 57 57 SER HA H 57 4.707 4.927 -0.220 1
1 657 . 13 1 1 A 57 57 SER C C 57 176.895 174.105 2.790 1
1 658 . 13 1 1 A 57 57 SER CA C 57 55.456 57.571 -2.115 1
1 659 . 13 1 1 A 57 57 SER CB C 57 64.059 66.713 -2.654 1
1 660 . 13 1 1 A 57 57 SER N N 57 114.312 114.907 -0.595 1
1 661 . 13 1 1 A 58 58 LEU H H 58 8.819 8.618 0.201 1
1 662 . 13 1 1 A 58 58 LEU HA H 58 4.120 4.364 -0.244 1
1 672 . 13 1 1 A 58 58 LEU C C 58 172.006 178.508 -6.502 1
1 673 . 13 1 1 A 58 58 LEU CA C 58 58.438 56.516 1.922 1
1 674 . 13 1 1 A 58 58 LEU CB C 58 41.839 42.671 -0.832 1
1 678 . 13 1 1 A 58 58 LEU N N 58 129.477 126.648 2.829 1
1 679 . 13 1 1 A 59 59 VAL H H 59 7.929 7.956 -0.027 1
1 680 . 13 1 1 A 59 59 VAL HA H 59 4.305 4.086 0.219 1
1 688 . 13 1 1 A 59 59 VAL C C 59 173.624 177.950 -4.326 1
1 689 . 13 1 1 A 59 59 VAL CA C 59 64.028 64.370 -0.342 1
1 690 . 13 1 1 A 59 59 VAL CB C 59 33.135 31.266 1.869 1
1 693 . 13 1 1 A 59 59 VAL N N 59 112.367 114.385 -2.018 1
1 694 . 13 1 1 A 60 60 CYS H H 60 7.786 8.007 -0.221 1
1 695 . 13 1 1 A 60 60 CYS HA H 60 4.589 4.449 0.140 1
1 698 . 13 1 1 A 60 60 CYS C C 60 176.508 176.576 -0.068 1
1 699 . 13 1 1 A 60 60 CYS CA C 60 59.907 60.986 -1.079 1
1 700 . 13 1 1 A 60 60 CYS CB C 60 28.211 26.781 1.430 1
1 701 . 13 1 1 A 60 60 CYS N N 60 115.412 120.071 -4.659 1
1 702 . 13 1 1 A 61 61 LYS H H 61 7.415 7.894 -0.479 1
1 703 . 13 1 1 A 61 61 LYS HA H 61 3.820 4.104 -0.284 1
1 712 . 13 1 1 A 61 61 LYS C C 61 175.812 175.982 -0.170 1
1 713 . 13 1 1 A 61 61 LYS CA C 61 60.389 58.394 1.995 1
1 714 . 13 1 1 A 61 61 LYS CB C 61 32.606 32.329 0.277 1
1 718 . 13 1 1 A 61 61 LYS N N 61 120.942 118.454 2.488 1
1 719 . 13 1 1 A 62 62 ASP C C 62 175.254 174.793 0.461 1
1 720 . 13 1 1 A 62 62 ASP CA C 62 55.159 53.395 1.764 1
1 721 . 13 1 1 A 62 62 ASP CB C 62 42.358 41.648 0.710 1
1 722 . 13 1 1 A 64 64 ILE H H 64 7.784 8.665 -0.881 1
1 723 . 13 1 1 A 64 64 ILE HA H 64 4.126 4.979 -0.853 1
1 733 . 13 1 1 A 64 64 ILE C C 64 177.456 174.641 2.815 1
1 734 . 13 1 1 A 64 64 ILE CA C 64 60.516 59.640 0.876 1
1 735 . 13 1 1 A 64 64 ILE CB C 64 39.990 42.087 -2.097 1
1 739 . 13 1 1 A 64 64 ILE N N 64 122.653 119.182 3.471 1
1 740 . 13 1 1 A 65 65 LEU H H 65 8.357 8.941 -0.584 1
1 741 . 13 1 1 A 65 65 LEU HA H 65 4.858 4.893 -0.035 1
1 751 . 13 1 1 A 65 65 LEU C C 65 176.625 174.333 2.292 1
1 752 . 13 1 1 A 65 65 LEU CA C 65 53.315 53.477 -0.162 1
1 753 . 13 1 1 A 65 65 LEU CB C 65 43.307 44.101 -0.794 1
1 757 . 13 1 1 A 65 65 LEU N N 65 128.311 127.716 0.595 1
1 758 . 13 1 1 A 66 66 ASP H H 66 9.088 9.184 -0.096 1
1 759 . 13 1 1 A 66 66 ASP HA H 66 5.009 4.982 0.027 1
1 762 . 13 1 1 A 66 66 ASP C C 66 177.504 174.727 2.777 1
1 763 . 13 1 1 A 66 66 ASP CA C 66 53.137 53.848 -0.711 1
1 764 . 13 1 1 A 66 66 ASP CB C 66 44.234 42.452 1.782 1
1 765 . 13 1 1 A 66 66 ASP N N 66 129.457 128.170 1.287 1
1 766 . 13 1 1 A 67 67 ILE H H 67 8.240 9.040 -0.800 1
1 767 . 13 1 1 A 67 67 ILE HA H 67 4.759 4.552 0.207 1
1 777 . 13 1 1 A 67 67 ILE C C 67 175.569 175.216 0.353 1
1 778 . 13 1 1 A 67 67 ILE CA C 67 59.640 60.109 -0.469 1
1 779 . 13 1 1 A 67 67 ILE CB C 67 39.948 39.207 0.741 1
1 783 . 13 1 1 A 67 67 ILE N N 67 120.821 127.293 -6.472 1
1 784 . 13 1 1 A 68 68 VAL H H 68 9.310 9.005 0.305 1
1 785 . 13 1 1 A 68 68 VAL HA H 68 4.149 4.024 0.125 1
1 793 . 13 1 1 A 68 68 VAL C C 68 176.697 175.025 1.672 1
1 794 . 13 1 1 A 68 68 VAL CA C 68 60.707 62.612 -1.905 1
1 795 . 13 1 1 A 68 68 VAL CB C 68 34.121 32.257 1.864 1
1 798 . 13 1 1 A 68 68 VAL N N 68 130.182 128.475 1.707 1
1 799 . 13 1 1 A 69 69 ASP H H 69 8.577 8.677 -0.100 1
1 800 . 13 1 1 A 69 69 ASP HA H 69 4.847 4.744 0.103 1
1 803 . 13 1 1 A 69 69 ASP C C 69 175.713 176.137 -0.424 1
1 804 . 13 1 1 A 69 69 ASP CA C 69 54.357 54.179 0.178 1
1 805 . 13 1 1 A 69 69 ASP CB C 69 41.353 40.875 0.478 1
1 806 . 13 1 1 A 69 69 ASP N N 69 127.151 128.006 -0.855 1
1 807 . 13 1 1 A 70 70 GLU H H 70 7.857 8.463 -0.606 1
1 808 . 13 1 1 A 70 70 GLU HA H 70 4.563 4.449 0.114 1
1 813 . 13 1 1 A 70 70 GLU C C 70 176.179 175.869 0.310 1
1 814 . 13 1 1 A 70 70 GLU CA C 70 56.333 56.277 0.056 1
1 815 . 13 1 1 A 70 70 GLU CB C 70 31.503 30.891 0.612 1
1 817 . 13 1 1 A 70 70 GLU N N 70 123.503 124.126 -0.623 1
1 818 . 13 1 1 A 71 71 LYS H H 71 8.517 8.412 0.105 1
1 819 . 13 1 1 A 71 71 LYS HA H 71 4.261 4.954 -0.693 1
1 828 . 13 1 1 A 71 71 LYS C C 71 175.084 175.459 -0.375 1
1 829 . 13 1 1 A 71 71 LYS CA C 71 55.210 54.712 0.498 1
1 830 . 13 1 1 A 71 71 LYS CB C 71 33.019 35.473 -2.454 1
1 834 . 13 1 1 A 71 71 LYS N N 71 124.197 119.277 4.920 1
1 835 . 13 1 1 A 72 72 VAL H H 72 8.612 8.613 -0.001 1
1 836 . 13 1 1 A 72 72 VAL HA H 72 4.277 4.243 0.034 1
1 844 . 13 1 1 A 72 72 VAL C C 72 176.529 175.025 1.504 1
1 845 . 13 1 1 A 72 72 VAL CA C 72 63.133 62.572 0.561 1
1 846 . 13 1 1 A 72 72 VAL CB C 72 32.188 32.581 -0.393 1
1 849 . 13 1 1 A 72 72 VAL N N 72 119.616 124.331 -4.715 1
1 850 . 13 1 1 A 73 73 GLU H H 73 7.750 8.573 -0.823 1
1 851 . 13 1 1 A 73 73 GLU HA H 73 4.469 4.716 -0.247 1
1 856 . 13 1 1 A 73 73 GLU C C 73 178.456 174.127 4.329 1
1 857 . 13 1 1 A 73 73 GLU CA C 73 55.241 55.864 -0.623 1
1 858 . 13 1 1 A 73 73 GLU CB C 73 34.536 34.154 0.382 1
1 860 . 13 1 1 A 73 73 GLU N N 73 126.126 126.805 -0.679 1
1 861 . 13 1 1 A 74 74 LEU H H 74 8.495 8.997 -0.502 1
1 862 . 13 1 1 A 74 74 LEU HA H 74 5.207 4.935 0.272 1
1 869 . 13 1 1 A 74 74 LEU C C 74 176.827 176.109 0.718 1
1 870 . 13 1 1 A 74 74 LEU CA C 74 52.600 53.630 -1.030 1
1 871 . 13 1 1 A 74 74 LEU CB C 74 45.404 43.541 1.863 1
1 874 . 13 1 1 A 74 74 LEU N N 74 123.821 126.850 -3.029 1
1 875 . 13 1 1 A 75 75 GLU H H 75 8.770 8.515 0.255 1
1 876 . 13 1 1 A 75 75 GLU HA H 75 5.127 4.298 0.829 1
1 881 . 13 1 1 A 75 75 GLU C C 75 176.617 175.669 0.948 1
1 882 . 13 1 1 A 75 75 GLU CA C 75 53.748 56.114 -2.366 1
1 883 . 13 1 1 A 75 75 GLU CB C 75 33.910 30.463 3.447 1
1 885 . 13 1 1 A 75 75 GLU N N 75 118.723 125.117 -6.394 1
1 886 . 13 1 1 A 76 76 CYS H H 76 9.354 8.549 0.805 1
1 887 . 13 1 1 A 76 76 CYS HA H 76 4.665 4.532 0.133 1
1 890 . 13 1 1 A 76 76 CYS C C 76 173.085 175.707 -2.622 1
1 891 . 13 1 1 A 76 76 CYS CA C 76 59.386 58.631 0.755 1
1 892 . 13 1 1 A 76 76 CYS CB C 76 32.476 28.637 3.839 1
1 893 . 13 1 1 A 76 76 CYS N N 76 128.378 121.730 6.648 1
1 894 . 13 1 1 A 77 77 LYS H H 77 9.328 8.688 0.640 1
1 895 . 13 1 1 A 77 77 LYS HA H 77 4.279 4.045 0.234 1
1 904 . 13 1 1 A 77 77 LYS C C 77 174.709 177.017 -2.308 1
1 905 . 13 1 1 A 77 77 LYS CA C 77 56.997 59.083 -2.086 1
1 906 . 13 1 1 A 77 77 LYS CB C 77 31.240 32.628 -1.388 1
1 910 . 13 1 1 A 77 77 LYS N N 77 129.264 125.891 3.373 1
1 911 . 13 1 1 A 78 78 ASP H H 78 9.182 8.091 1.091 1
1 912 . 13 1 1 A 78 78 ASP HA H 78 4.945 4.881 0.064 1
1 915 . 13 1 1 A 78 78 ASP C C 78 173.961 174.577 -0.616 1
1 916 . 13 1 1 A 78 78 ASP CA C 78 56.797 52.727 4.070 1
1 917 . 13 1 1 A 78 78 ASP CB C 78 42.214 41.160 1.054 1
1 918 . 13 1 1 A 78 78 ASP N N 78 122.206 116.829 5.377 1
1 919 . 13 1 1 A 79 79 CYS H H 79 9.871 8.130 1.741 1
1 920 . 13 1 1 A 79 79 CYS HA H 79 5.165 4.794 0.371 1
1 923 . 13 1 1 A 79 79 CYS C C 79 174.253 173.381 0.872 1
1 924 . 13 1 1 A 79 79 CYS CA C 79 59.123 57.475 1.648 1
1 925 . 13 1 1 A 79 79 CYS CB C 79 32.286 30.029 2.257 1
1 926 . 13 1 1 A 79 79 CYS N N 79 124.020 123.459 0.561 1
1 927 . 13 1 1 A 80 80 SER H H 80 7.667 8.603 -0.936 1
1 928 . 13 1 1 A 80 80 SER HA H 80 4.564 4.795 -0.231 1
1 931 . 13 1 1 A 80 80 SER C C 80 178.621 173.368 5.253 1
1 932 . 13 1 1 A 80 80 SER CA C 80 62.038 57.399 4.639 1
1 933 . 13 1 1 A 80 80 SER CB C 80 62.215 64.627 -2.412 1
1 934 . 13 1 1 A 80 80 SER N N 80 115.904 117.196 -1.292 1
1 935 . 13 1 1 A 81 81 HIS H H 81 8.916 7.570 1.346 1
1 936 . 13 1 1 A 81 81 HIS HA H 81 4.649 5.008 -0.359 1
1 941 . 13 1 1 A 81 81 HIS C C 81 178.299 173.076 5.223 1
1 942 . 13 1 1 A 81 81 HIS CA C 81 58.348 55.403 2.945 1
1 943 . 13 1 1 A 81 81 HIS CB C 81 33.016 33.409 -0.393 1
1 946 . 13 1 1 A 81 81 HIS N N 81 125.397 120.406 4.991 1
1 949 . 13 1 1 A 82 82 VAL H H 82 7.058 8.064 -1.006 1
1 950 . 13 1 1 A 82 82 VAL HA H 82 5.212 4.836 0.376 1
1 958 . 13 1 1 A 82 82 VAL C C 82 176.161 173.911 2.250 1
1 959 . 13 1 1 A 82 82 VAL CA C 82 60.567 59.474 1.093 1
1 960 . 13 1 1 A 82 82 VAL CB C 82 34.355 35.965 -1.610 1
1 963 . 13 1 1 A 82 82 VAL N N 82 125.314 119.689 5.625 1
1 964 . 13 1 1 A 83 83 PHE H H 83 8.883 8.588 0.295 1
1 965 . 13 1 1 A 83 83 PHE HA H 83 4.842 5.257 -0.415 1
1 972 . 13 1 1 A 83 83 PHE C C 83 179.687 172.081 7.606 1
1 973 . 13 1 1 A 83 83 PHE CA C 83 55.495 55.558 -0.063 1
1 974 . 13 1 1 A 83 83 PHE CB C 83 40.651 41.508 -0.857 1
1 978 . 13 1 1 A 83 83 PHE N N 83 122.377 118.954 3.423 1
1 979 . 13 1 1 A 84 84 LYS H H 84 8.658 8.805 -0.147 1
1 980 . 13 1 1 A 84 84 LYS HA H 84 5.001 4.941 0.060 1
1 989 . 13 1 1 A 84 84 LYS C C 84 176.705 174.661 2.044 1
1 990 . 13 1 1 A 84 84 LYS CA C 84 52.738 52.323 0.415 1
1 991 . 13 1 1 A 84 84 LYS CB C 84 32.660 33.510 -0.850 1
1 995 . 13 1 1 A 84 84 LYS N N 84 121.116 120.264 0.852 1
1 996 . 13 1 1 A 85 85 PRO HA H 85 4.663 4.690 -0.027 1
1 1003 . 13 1 1 A 85 85 PRO C C 85 174.722 176.142 -1.420 1
1 1004 . 13 1 1 A 85 85 PRO CA C 85 62.633 63.144 -0.511 1
1 1005 . 13 1 1 A 85 85 PRO CB C 85 32.712 31.800 0.912 1
1 1008 . 13 1 1 A 86 86 ASN H H 86 8.983 8.872 0.111 1
1 1009 . 13 1 1 A 86 86 ASN HA H 86 4.704 4.928 -0.224 1
1 1014 . 13 1 1 A 86 86 ASN C C 86 176.576 174.946 1.630 1
1 1015 . 13 1 1 A 86 86 ASN CA C 86 53.552 53.749 -0.197 1
1 1016 . 13 1 1 A 86 86 ASN CB C 86 39.208 40.619 -1.411 1
1 1017 . 13 1 1 A 86 86 ASN N N 86 119.549 118.332 1.217 1
1 1019 . 13 1 1 A 87 87 ALA H H 87 8.122 7.586 0.536 1
1 1020 . 13 1 1 A 87 87 ALA HA H 87 4.369 3.869 0.500 1
1 1024 . 13 1 1 A 87 87 ALA C C 87 174.154 178.042 -3.888 1
1 1025 . 13 1 1 A 87 87 ALA CA C 87 52.560 52.771 -0.211 1
1 1026 . 13 1 1 A 87 87 ALA CB C 87 19.660 18.200 1.460 1
1 1027 . 13 1 1 A 87 87 ALA N N 87 122.483 120.519 1.964 1
1 1028 . 13 1 1 A 88 88 LEU H H 88 8.195 8.383 -0.188 1
1 1029 . 13 1 1 A 88 88 LEU HA H 88 4.192 3.895 0.297 1
1 1039 . 13 1 1 A 88 88 LEU C C 88 174.871 178.686 -3.815 1
1 1040 . 13 1 1 A 88 88 LEU CA C 88 55.691 57.566 -1.875 1
1 1041 . 13 1 1 A 88 88 LEU CB C 88 41.708 41.914 -0.206 1
1 1045 . 13 1 1 A 88 88 LEU N N 88 118.730 122.671 -3.941 1
1 1046 . 13 1 1 A 89 89 ASP H H 89 7.902 7.945 -0.043 1
1 1047 . 13 1 1 A 89 89 ASP HA H 89 4.601 4.381 0.220 1
1 1050 . 13 1 1 A 89 89 ASP C C 89 175.940 176.558 -0.618 1
1 1051 . 13 1 1 A 89 89 ASP CA C 89 53.641 56.331 -2.690 1
1 1052 . 13 1 1 A 89 89 ASP CB C 89 40.953 41.038 -0.085 1
1 1053 . 13 1 1 A 89 89 ASP N N 89 118.577 119.700 -1.123 1
1 1054 . 13 1 1 A 90 90 TYR H H 90 7.922 7.388 0.534 1
1 1055 . 13 1 1 A 90 90 TYR HA H 90 4.551 4.766 -0.215 1
1 1062 . 13 1 1 A 90 90 TYR C C 90 175.338 176.549 -1.211 1
1 1063 . 13 1 1 A 90 90 TYR CA C 90 57.505 57.132 0.373 1
1 1064 . 13 1 1 A 90 90 TYR CB C 90 38.147 39.087 -0.940 1
1 1067 . 13 1 1 A 90 90 TYR N N 90 121.632 112.827 8.805 1
1 1068 . 13 1 1 A 91 91 GLY H H 91 8.313 8.224 0.089 1
1 1069 . 13 1 1 A 91 91 GLY HA2 H 91 3.966 3.746 0.220 1
1 1070 . 13 1 1 A 91 91 GLY HA3 H 91 3.784 3.873 -0.089 1
1 1071 . 13 1 1 A 91 91 GLY C C 91 178.622 174.232 4.390 1
1 1072 . 13 1 1 A 91 91 GLY CA C 91 45.916 45.400 0.516 1
1 1073 . 13 1 1 A 91 91 GLY N N 91 108.097 109.306 -1.209 1
1 1074 . 13 1 1 A 92 92 VAL H H 92 7.078 7.641 -0.563 1
1 1075 . 13 1 1 A 92 92 VAL HA H 92 4.810 4.186 0.624 1
1 1083 . 13 1 1 A 92 92 VAL C C 92 176.954 175.719 1.235 1
1 1084 . 13 1 1 A 92 92 VAL CA C 92 59.083 61.818 -2.735 1
1 1085 . 13 1 1 A 92 92 VAL CB C 92 35.602 33.446 2.156 1
1 1088 . 13 1 1 A 92 92 VAL N N 92 113.901 117.672 -3.771 1
1 1089 . 13 1 1 A 93 93 CYS H H 93 9.086 8.268 0.818 1
1 1090 . 13 1 1 A 93 93 CYS HA H 93 4.118 4.853 -0.735 1
1 1093 . 13 1 1 A 93 93 CYS C C 93 173.477 176.095 -2.618 1
1 1094 . 13 1 1 A 93 93 CYS CA C 93 60.511 59.355 1.156 1
1 1095 . 13 1 1 A 93 93 CYS CB C 93 31.124 28.811 2.313 1
1 1096 . 13 1 1 A 93 93 CYS N N 93 126.248 122.242 4.006 1
1 1097 . 13 1 1 A 94 94 GLU H H 94 5.667 9.000 -3.333 1
1 1098 . 13 1 1 A 94 94 GLU HA H 94 4.073 3.925 0.148 1
1 1103 . 13 1 1 A 94 94 GLU C C 94 176.973 178.553 -1.580 1
1 1104 . 13 1 1 A 94 94 GLU CA C 94 57.434 59.449 -2.015 1
1 1105 . 13 1 1 A 94 94 GLU CB C 94 28.813 29.388 -0.575 1
1 1107 . 13 1 1 A 94 94 GLU N N 94 126.541 125.995 0.546 1
1 1108 . 13 1 1 A 95 95 LYS H H 95 9.002 7.142 1.860 1
1 1109 . 13 1 1 A 95 95 LYS HA H 95 4.076 4.141 -0.065 1
1 1118 . 13 1 1 A 95 95 LYS C C 95 174.890 177.466 -2.576 1
1 1119 . 13 1 1 A 95 95 LYS CA C 95 57.782 58.917 -1.135 1
1 1120 . 13 1 1 A 95 95 LYS CB C 95 34.056 32.800 1.256 1
1 1124 . 13 1 1 A 95 95 LYS N N 95 123.753 118.748 5.005 1
1 1125 . 13 1 1 A 96 96 CYS H H 96 9.063 7.562 1.501 1
1 1126 . 13 1 1 A 96 96 CYS HA H 96 4.755 4.327 0.428 1
1 1129 . 13 1 1 A 96 96 CYS C C 96 174.775 174.144 0.631 1
1 1130 . 13 1 1 A 96 96 CYS CA C 96 58.756 58.566 0.190 1
1 1131 . 13 1 1 A 96 96 CYS CB C 96 32.066 28.796 3.270 1
1 1132 . 13 1 1 A 96 96 CYS N N 96 120.699 117.546 3.153 1
1 1133 . 13 1 1 A 97 97 HIS H H 97 7.541 8.765 -1.224 1
1 1134 . 13 1 1 A 97 97 HIS HA H 97 4.474 4.934 -0.460 1
1 1139 . 13 1 1 A 97 97 HIS C C 97 178.193 174.077 4.116 1
1 1140 . 13 1 1 A 97 97 HIS CA C 97 57.481 55.344 2.137 1
1 1141 . 13 1 1 A 97 97 HIS CB C 97 27.126 29.720 -2.594 1
1 1144 . 13 1 1 A 97 97 HIS N N 97 116.676 118.936 -2.260 1
1 1147 . 13 1 1 A 98 98 SER H H 98 8.775 7.793 0.982 1
1 1148 . 13 1 1 A 98 98 SER HA H 98 4.322 5.012 -0.690 1
1 1151 . 13 1 1 A 98 98 SER C C 98 176.432 173.829 2.603 1
1 1152 . 13 1 1 A 98 98 SER CA C 98 58.923 57.384 1.539 1
1 1153 . 13 1 1 A 98 98 SER CB C 98 64.790 66.519 -1.729 1
1 1154 . 13 1 1 A 98 98 SER N N 98 116.989 115.704 1.285 1
1 1155 . 13 1 1 A 99 99 LYS H H 99 8.567 8.850 -0.283 1
1 1156 . 13 1 1 A 99 99 LYS HA H 99 4.935 4.624 0.311 1
1 1165 . 13 1 1 A 99 99 LYS C C 99 173.648 177.200 -3.552 1
1 1166 . 13 1 1 A 99 99 LYS CA C 99 56.417 56.130 0.287 1
1 1167 . 13 1 1 A 99 99 LYS CB C 99 32.366 32.337 0.029 1
1 1171 . 13 1 1 A 99 99 LYS N N 99 122.510 124.331 -1.821 1
1 1172 . 13 1 1 A 100 100 ASN H H 100 9.426 8.370 1.056 1
1 1173 . 13 1 1 A 100 100 ASN HA H 100 4.916 4.573 0.343 1
1 1178 . 13 1 1 A 100 100 ASN C C 100 178.498 175.575 2.923 1
1 1179 . 13 1 1 A 100 100 ASN CA C 100 51.999 54.031 -2.032 1
1 1180 . 13 1 1 A 100 100 ASN CB C 100 36.539 37.573 -1.034 1
1 1181 . 13 1 1 A 100 100 ASN N N 100 124.489 117.371 7.118 1
1 1183 . 13 1 1 A 101 101 VAL H H 101 7.627 7.448 0.179 1
1 1184 . 13 1 1 A 101 101 VAL HA H 101 5.329 4.096 1.233 1
1 1192 . 13 1 1 A 101 101 VAL C C 101 175.484 175.819 -0.335 1
1 1193 . 13 1 1 A 101 101 VAL CA C 101 58.253 62.056 -3.803 1
1 1194 . 13 1 1 A 101 101 VAL CB C 101 34.692 32.274 2.418 1
1 1197 . 13 1 1 A 101 101 VAL N N 101 112.585 119.392 -6.807 1
1 1198 . 13 1 1 A 102 102 ILE H H 102 9.032 8.816 0.216 1
1 1199 . 13 1 1 A 102 102 ILE HA H 102 4.671 4.792 -0.121 1
1 1209 . 13 1 1 A 102 102 ILE C C 102 177.283 174.836 2.447 1
1 1210 . 13 1 1 A 102 102 ILE CA C 102 58.979 58.464 0.515 1
1 1211 . 13 1 1 A 102 102 ILE CB C 102 41.970 41.763 0.207 1
1 1215 . 13 1 1 A 102 102 ILE N N 102 119.819 118.911 0.908 1
1 1216 . 13 1 1 A 103 103 ILE H H 103 8.364 8.858 -0.494 1
1 1217 . 13 1 1 A 103 103 ILE HA H 103 4.527 4.100 0.427 1
1 1227 . 13 1 1 A 103 103 ILE C C 103 174.186 176.372 -2.186 1
1 1228 . 13 1 1 A 103 103 ILE CA C 103 61.366 61.777 -0.411 1
1 1229 . 13 1 1 A 103 103 ILE CB C 103 38.577 37.063 1.514 1
1 1233 . 13 1 1 A 103 103 ILE N N 103 123.325 125.002 -1.677 1
1 1234 . 13 1 1 A 104 104 THR H H 104 8.796 9.020 -0.224 1
1 1235 . 13 1 1 A 104 104 THR HA H 104 4.260 4.413 -0.153 1
1 1240 . 13 1 1 A 104 104 THR C C 104 176.317 173.832 2.485 1
1 1241 . 13 1 1 A 104 104 THR CA C 104 62.708 63.107 -0.399 1
1 1242 . 13 1 1 A 104 104 THR CB C 104 68.431 70.085 -1.654 1
1 1244 . 13 1 1 A 104 104 THR N N 104 120.825 122.105 -1.280 1
1 1245 . 13 1 1 A 105 105 GLN H H 105 7.705 7.340 0.365 1
1 1246 . 13 1 1 A 105 105 GLN HA H 105 4.482 4.614 -0.132 1
1 1253 . 13 1 1 A 105 105 GLN C C 105 177.316 175.128 2.188 1
1 1254 . 13 1 1 A 105 105 GLN CA C 105 55.621 55.438 0.183 1
1 1255 . 13 1 1 A 105 105 GLN CB C 105 31.897 31.718 0.179 1
1 1257 . 13 1 1 A 105 105 GLN N N 105 118.599 119.629 -1.030 1
1 1259 . 13 1 1 A 106 106 GLY H H 106 9.091 8.662 0.429 1
1 1260 . 13 1 1 A 106 106 GLY HA2 H 106 3.472 3.990 -0.518 1
1 1261 . 13 1 1 A 106 106 GLY HA3 H 106 4.255 3.990 0.265 1
1 1262 . 13 1 1 A 106 106 GLY C C 106 178.226 175.123 3.103 1
1 1263 . 13 1 1 A 106 106 GLY CA C 106 45.497 45.202 0.295 1
1 1264 . 13 1 1 A 106 106 GLY N N 106 106.938 115.281 -8.343 1
1 1265 . 13 1 1 A 107 107 ASN H H 107 8.542 8.300 0.242 1
1 1266 . 13 1 1 A 107 107 ASN HA H 107 4.670 4.447 0.223 1
1 1271 . 13 1 1 A 107 107 ASN C C 107 176.917 174.341 2.576 1
1 1272 . 13 1 1 A 107 107 ASN CA C 107 52.697 55.921 -3.224 1
1 1273 . 13 1 1 A 107 107 ASN CB C 107 39.745 38.201 1.544 1
1 1274 . 13 1 1 A 107 107 ASN N N 107 117.838 118.150 -0.312 1
1 1276 . 13 1 1 A 108 108 GLU H H 108 8.050 7.855 0.195 1
1 1277 . 13 1 1 A 108 108 GLU HA H 108 4.638 4.704 -0.066 1
1 1282 . 13 1 1 A 108 108 GLU C C 108 176.463 175.894 0.569 1
1 1283 . 13 1 1 A 108 108 GLU CA C 108 55.693 54.637 1.056 1
1 1284 . 13 1 1 A 108 108 GLU CB C 108 32.643 34.543 -1.900 1
1 1286 . 13 1 1 A 108 108 GLU N N 108 118.542 116.877 1.665 1
1 1287 . 13 1 1 A 109 109 MET H H 109 8.431 8.541 -0.110 1
1 1288 . 13 1 1 A 109 109 MET HA H 109 5.236 4.882 0.354 1
1 1296 . 13 1 1 A 109 109 MET C C 109 176.443 175.697 0.746 1
1 1297 . 13 1 1 A 109 109 MET CA C 109 54.801 54.866 -0.065 1
1 1298 . 13 1 1 A 109 109 MET CB C 109 33.115 33.592 -0.477 1
1 1301 . 13 1 1 A 109 109 MET N N 109 121.401 120.336 1.065 1
1 1302 . 13 1 1 A 110 110 ARG H H 110 9.166 8.688 0.478 1
1 1303 . 13 1 1 A 110 110 ARG HA H 110 4.771 4.916 -0.145 1
1 1311 . 13 1 1 A 110 110 ARG C C 110 177.215 175.753 1.462 1
1 1312 . 13 1 1 A 110 110 ARG CA C 110 54.826 53.945 0.881 1
1 1313 . 13 1 1 A 110 110 ARG CB C 110 33.474 34.288 -0.814 1
1 1316 . 13 1 1 A 110 110 ARG N N 110 123.271 118.804 4.467 1
1 1318 . 13 1 1 A 111 111 LEU H H 111 8.874 8.531 0.343 1
1 1319 . 13 1 1 A 111 111 LEU HA H 111 4.335 4.408 -0.073 1
1 1329 . 13 1 1 A 111 111 LEU C C 111 175.976 176.516 -0.540 1
1 1330 . 13 1 1 A 111 111 LEU CA C 111 55.633 55.010 0.623 1
1 1331 . 13 1 1 A 111 111 LEU CB C 111 42.413 42.981 -0.568 1
1 1335 . 13 1 1 A 111 111 LEU N N 111 125.212 120.529 4.683 1
1 1336 . 13 1 1 A 112 112 LEU HA H 112 4.432 4.533 -0.101 1
1 1346 . 13 1 1 A 112 112 LEU C C 112 173.898 176.517 -2.619 1
1 1347 . 13 1 1 A 112 112 LEU CA C 112 56.230 55.805 0.425 1
1 1348 . 13 1 1 A 112 112 LEU CB C 112 42.688 43.289 -0.601 1
1 1352 . 13 1 1 A 113 113 SER H H 113 7.895 7.414 0.481 1
1 1353 . 13 1 1 A 113 113 SER HA H 113 4.509 4.810 -0.301 1
1 1356 . 13 1 1 A 113 113 SER C C 113 180.240 172.308 7.932 1
1 1357 . 13 1 1 A 113 113 SER CA C 113 58.129 57.679 0.450 1
1 1358 . 13 1 1 A 113 113 SER CB C 113 64.473 66.987 -2.514 1
1 1359 . 13 1 1 A 113 113 SER N N 113 110.894 111.193 -0.299 1
1 1360 . 13 1 1 A 114 114 LEU H H 114 8.151 8.345 -0.194 1
1 1361 . 13 1 1 A 114 114 LEU HA H 114 5.086 5.160 -0.074 1
1 1371 . 13 1 1 A 114 114 LEU C C 114 175.777 175.219 0.558 1
1 1372 . 13 1 1 A 114 114 LEU CA C 114 53.830 53.828 0.002 1
1 1373 . 13 1 1 A 114 114 LEU CB C 114 46.471 46.494 -0.023 1
1 1377 . 13 1 1 A 114 114 LEU N N 114 120.671 121.911 -1.240 1
1 1378 . 13 1 1 A 115 115 GLU H H 115 8.666 9.092 -0.426 1
1 1379 . 13 1 1 A 115 115 GLU HA H 115 4.823 5.042 -0.219 1
1 1384 . 13 1 1 A 115 115 GLU C C 115 175.727 174.832 0.895 1
1 1385 . 13 1 1 A 115 115 GLU CA C 115 55.127 54.932 0.195 1
1 1386 . 13 1 1 A 115 115 GLU CB C 115 31.063 33.616 -2.553 1
1 1388 . 13 1 1 A 115 115 GLU N N 115 122.105 122.057 0.048 1
1 1389 . 13 1 1 A 116 116 MET H H 116 9.159 8.734 0.425 1
1 1390 . 13 1 1 A 116 116 MET HA H 116 4.989 5.369 -0.380 1
1 1398 . 13 1 1 A 116 116 MET C C 116 177.447 175.199 2.248 1
1 1399 . 13 1 1 A 116 116 MET CA C 116 54.669 54.042 0.627 1
1 1400 . 13 1 1 A 116 116 MET CB C 116 36.107 37.210 -1.103 1
1 1403 . 13 1 1 A 116 116 MET N N 116 123.947 123.324 0.623 1
1 1404 . 13 1 1 A 117 117 LEU H H 117 8.573 8.735 -0.162 1
1 1405 . 13 1 1 A 117 117 LEU HA H 117 4.670 5.155 -0.485 1
1 1412 . 13 1 1 A 117 117 LEU C C 117 175.990 176.056 -0.066 1
1 1413 . 13 1 1 A 117 117 LEU CA C 117 54.549 53.125 1.424 1
1 1414 . 13 1 1 A 117 117 LEU CB C 117 44.045 45.949 -1.904 1
1 1417 . 13 1 1 A 117 117 LEU N N 117 122.478 116.558 5.920 1
1 1418 . 13 1 1 A 118 118 ALA H H 118 8.714 8.766 -0.052 1
1 1419 . 13 1 1 A 118 118 ALA HA H 118 4.604 4.546 0.058 1
1 1423 . 13 1 1 A 118 118 ALA C C 118 175.279 176.964 -1.685 1
1 1424 . 13 1 1 A 118 118 ALA CA C 118 52.155 53.239 -1.084 1
1 1425 . 13 1 1 A 118 118 ALA CB C 118 20.444 21.358 -0.914 1
1 1426 . 13 1 1 A 118 118 ALA N N 118 127.701 121.300 6.401 1
1 4 . 14 1 1 A 2 2 SER HA H 2 4.544 4.487 0.057 1
1 7 . 14 1 1 A 2 2 SER CA C 2 58.424 59.948 -1.524 1
1 8 . 14 1 1 A 2 2 SER CB C 2 64.017 63.550 0.467 1
1 13 . 14 1 1 A 4 4 HIS HA H 4 4.504 4.059 0.445 1
1 17 . 14 1 1 A 4 4 HIS C C 4 175.043 176.997 -1.954 1
1 18 . 14 1 1 A 4 4 HIS CA C 4 58.574 60.452 -1.878 1
1 19 . 14 1 1 A 4 4 HIS CB C 4 30.859 30.158 0.701 1
1 20 . 14 1 1 A 5 5 GLU H H 5 10.002 9.038 0.964 1
1 21 . 14 1 1 A 5 5 GLU HA H 5 3.831 3.994 -0.163 1
1 26 . 14 1 1 A 5 5 GLU C C 5 173.758 176.765 -3.007 1
1 27 . 14 1 1 A 5 5 GLU CA C 5 61.822 58.362 3.460 1
1 28 . 14 1 1 A 5 5 GLU CB C 5 28.884 28.131 0.753 1
1 30 . 14 1 1 A 5 5 GLU N N 5 120.850 116.000 4.850 1
1 31 . 14 1 1 A 6 6 TYR H H 6 8.163 7.727 0.436 1
1 32 . 14 1 1 A 6 6 TYR HA H 6 4.066 4.794 -0.728 1
1 39 . 14 1 1 A 6 6 TYR C C 6 173.754 176.490 -2.736 1
1 40 . 14 1 1 A 6 6 TYR CA C 6 61.029 57.656 3.373 1
1 41 . 14 1 1 A 6 6 TYR CB C 6 37.391 39.279 -1.888 1
1 44 . 14 1 1 A 6 6 TYR N N 6 117.171 118.667 -1.496 1
1 45 . 14 1 1 A 7 7 SER H H 7 7.929 7.854 0.075 1
1 46 . 14 1 1 A 7 7 SER HA H 7 4.265 4.090 0.175 1
1 49 . 14 1 1 A 7 7 SER C C 7 174.434 177.317 -2.883 1
1 50 . 14 1 1 A 7 7 SER CA C 7 61.471 61.739 -0.268 1
1 51 . 14 1 1 A 7 7 SER CB C 7 62.686 63.058 -0.372 1
1 52 . 14 1 1 A 7 7 SER N N 7 116.417 116.706 -0.289 1
1 53 . 14 1 1 A 8 8 VAL H H 8 8.088 8.120 -0.032 1
1 54 . 14 1 1 A 8 8 VAL HA H 8 3.795 3.711 0.084 1
1 62 . 14 1 1 A 8 8 VAL C C 8 172.652 177.900 -5.248 1
1 63 . 14 1 1 A 8 8 VAL CA C 8 66.036 65.443 0.593 1
1 64 . 14 1 1 A 8 8 VAL CB C 8 31.811 31.192 0.619 1
1 67 . 14 1 1 A 8 8 VAL N N 8 122.514 119.977 2.537 1
1 68 . 14 1 1 A 9 9 VAL H H 9 8.255 8.390 -0.135 1
1 69 . 14 1 1 A 9 9 VAL HA H 9 3.539 3.713 -0.174 1
1 77 . 14 1 1 A 9 9 VAL C C 9 174.142 178.091 -3.949 1
1 78 . 14 1 1 A 9 9 VAL CA C 9 67.201 67.011 0.190 1
1 79 . 14 1 1 A 9 9 VAL CB C 9 30.859 31.642 -0.783 1
1 82 . 14 1 1 A 9 9 VAL N N 9 120.829 122.277 -1.448 1
1 83 . 14 1 1 A 10 10 SER H H 10 8.179 8.207 -0.028 1
1 84 . 14 1 1 A 10 10 SER HA H 10 3.726 3.877 -0.151 1
1 87 . 14 1 1 A 10 10 SER C C 10 173.669 177.327 -3.658 1
1 88 . 14 1 1 A 10 10 SER CA C 10 62.397 61.498 0.899 1
1 89 . 14 1 1 A 10 10 SER CB C 10 62.470 62.676 -0.206 1
1 90 . 14 1 1 A 10 10 SER N N 10 115.937 115.229 0.708 1
1 91 . 14 1 1 A 11 11 SER H H 11 7.860 7.996 -0.136 1
1 92 . 14 1 1 A 11 11 SER HA H 11 4.312 4.124 0.188 1
1 95 . 14 1 1 A 11 11 SER C C 11 174.888 177.503 -2.615 1
1 96 . 14 1 1 A 11 11 SER CA C 11 61.863 61.633 0.230 1
1 97 . 14 1 1 A 11 11 SER CB C 11 62.638 63.148 -0.510 1
1 98 . 14 1 1 A 11 11 SER N N 11 117.940 115.600 2.340 1
1 99 . 14 1 1 A 12 12 LEU H H 12 8.197 8.184 0.013 1
1 100 . 14 1 1 A 12 12 LEU HA H 12 4.331 3.933 0.398 1
1 110 . 14 1 1 A 12 12 LEU C C 12 172.791 179.179 -6.388 1
1 111 . 14 1 1 A 12 12 LEU CA C 12 58.035 58.286 -0.251 1
1 112 . 14 1 1 A 12 12 LEU CB C 12 42.062 42.302 -0.240 1
1 116 . 14 1 1 A 12 12 LEU N N 12 125.411 121.492 3.919 1
1 117 . 14 1 1 A 13 13 ILE H H 13 8.689 8.147 0.542 1
1 118 . 14 1 1 A 13 13 ILE HA H 13 3.654 3.678 -0.024 1
1 128 . 14 1 1 A 13 13 ILE C C 13 173.945 178.131 -4.186 1
1 129 . 14 1 1 A 13 13 ILE CA C 13 65.287 65.844 -0.557 1
1 130 . 14 1 1 A 13 13 ILE CB C 13 36.843 37.883 -1.040 1
1 134 . 14 1 1 A 13 13 ILE N N 13 121.352 118.835 2.517 1
1 135 . 14 1 1 A 14 14 ALA H H 14 7.692 8.075 -0.383 1
1 136 . 14 1 1 A 14 14 ALA HA H 14 4.218 4.098 0.120 1
1 140 . 14 1 1 A 14 14 ALA C C 14 170.805 179.864 -9.059 1
1 141 . 14 1 1 A 14 14 ALA CA C 14 55.484 55.398 0.086 1
1 142 . 14 1 1 A 14 14 ALA CB C 14 17.698 18.459 -0.761 1
1 143 . 14 1 1 A 14 14 ALA N N 14 121.374 122.992 -1.618 1
1 144 . 14 1 1 A 15 15 LEU H H 15 8.040 8.321 -0.281 1
1 145 . 14 1 1 A 15 15 LEU HA H 15 4.253 3.693 0.560 1
1 152 . 14 1 1 A 15 15 LEU C C 15 171.818 178.855 -7.037 1
1 153 . 14 1 1 A 15 15 LEU CA C 15 58.208 58.019 0.189 1
1 154 . 14 1 1 A 15 15 LEU CB C 15 42.286 41.577 0.709 1
1 157 . 14 1 1 A 15 15 LEU N N 15 121.328 117.992 3.336 1
1 158 . 14 1 1 A 16 16 CYS H H 16 8.587 8.598 -0.011 1
1 159 . 14 1 1 A 16 16 CYS HA H 16 3.954 4.168 -0.214 1
1 162 . 14 1 1 A 16 16 CYS C C 16 174.494 176.977 -2.483 1
1 163 . 14 1 1 A 16 16 CYS CA C 16 64.933 62.987 1.946 1
1 164 . 14 1 1 A 16 16 CYS CB C 16 26.960 26.974 -0.014 1
1 165 . 14 1 1 A 16 16 CYS N N 16 118.908 116.648 2.260 1
1 166 . 14 1 1 A 17 17 GLU H H 17 8.576 8.395 0.181 1
1 167 . 14 1 1 A 17 17 GLU HA H 17 3.806 3.972 -0.166 1
1 172 . 14 1 1 A 17 17 GLU C C 17 172.225 178.872 -6.647 1
1 173 . 14 1 1 A 17 17 GLU CA C 17 60.306 59.788 0.518 1
1 174 . 14 1 1 A 17 17 GLU CB C 17 29.130 29.062 0.068 1
1 176 . 14 1 1 A 17 17 GLU N N 17 118.419 121.288 -2.869 1
1 177 . 14 1 1 A 18 18 GLU H H 18 8.156 8.190 -0.034 1
1 178 . 14 1 1 A 18 18 GLU HA H 18 4.115 4.013 0.102 1
1 183 . 14 1 1 A 18 18 GLU C C 18 172.241 179.339 -7.098 1
1 184 . 14 1 1 A 18 18 GLU CA C 18 59.507 59.427 0.080 1
1 185 . 14 1 1 A 18 18 GLU CB C 18 29.335 29.439 -0.104 1
1 187 . 14 1 1 A 18 18 GLU N N 18 121.603 119.367 2.236 1
1 188 . 14 1 1 A 19 19 HIS H H 19 8.379 8.131 0.248 1
1 189 . 14 1 1 A 19 19 HIS HA H 19 4.174 4.395 -0.221 1
1 194 . 14 1 1 A 19 19 HIS C C 19 172.511 177.731 -5.220 1
1 195 . 14 1 1 A 19 19 HIS CA C 19 60.525 59.485 1.040 1
1 196 . 14 1 1 A 19 19 HIS CB C 19 31.354 30.013 1.341 1
1 198 . 14 1 1 A 19 19 HIS N N 19 119.634 119.077 0.557 1
1 201 . 14 1 1 A 20 20 ALA H H 20 8.568 8.153 0.415 1
1 202 . 14 1 1 A 20 20 ALA HA H 20 4.143 3.866 0.277 1
1 206 . 14 1 1 A 20 20 ALA C C 20 172.155 179.080 -6.925 1
1 207 . 14 1 1 A 20 20 ALA CA C 20 55.716 55.346 0.370 1
1 208 . 14 1 1 A 20 20 ALA CB C 20 17.682 18.272 -0.590 1
1 209 . 14 1 1 A 20 20 ALA N N 20 122.453 121.612 0.841 1
1 210 . 14 1 1 A 21 21 LYS H H 21 8.055 7.897 0.158 1
1 211 . 14 1 1 A 21 21 LYS HA H 21 4.128 3.821 0.307 1
1 220 . 14 1 1 A 21 21 LYS C C 21 170.753 178.768 -8.015 1
1 221 . 14 1 1 A 21 21 LYS CA C 21 59.469 59.144 0.325 1
1 222 . 14 1 1 A 21 21 LYS CB C 21 32.369 31.899 0.470 1
1 226 . 14 1 1 A 21 21 LYS N N 21 118.604 116.471 2.133 1
1 227 . 14 1 1 A 22 22 LYS H H 22 8.092 7.658 0.434 1
1 228 . 14 1 1 A 22 22 LYS HA H 22 4.100 4.035 0.065 1
1 237 . 14 1 1 A 22 22 LYS C C 22 174.300 178.178 -3.878 1
1 238 . 14 1 1 A 22 22 LYS CA C 22 58.920 59.485 -0.565 1
1 239 . 14 1 1 A 22 22 LYS CB C 22 32.406 32.406 0.000 1
1 243 . 14 1 1 A 22 22 LYS N N 22 119.468 119.625 -0.157 1
1 244 . 14 1 1 A 23 23 ASN H H 23 7.461 7.893 -0.432 1
1 245 . 14 1 1 A 23 23 ASN HA H 23 4.710 4.779 -0.069 1
1 248 . 14 1 1 A 23 23 ASN C C 23 178.526 174.756 3.770 1
1 249 . 14 1 1 A 23 23 ASN CA C 23 53.514 53.326 0.188 1
1 250 . 14 1 1 A 23 23 ASN CB C 23 40.124 38.965 1.159 1
1 251 . 14 1 1 A 23 23 ASN N N 23 115.166 116.832 -1.666 1
1 252 . 14 1 1 A 24 24 GLN H H 24 7.879 7.827 0.052 1
1 253 . 14 1 1 A 24 24 GLN HA H 24 3.927 3.720 0.207 1
1 260 . 14 1 1 A 24 24 GLN C C 24 177.284 175.358 1.926 1
1 261 . 14 1 1 A 24 24 GLN CA C 24 57.083 56.792 0.291 1
1 262 . 14 1 1 A 24 24 GLN CB C 24 26.400 25.988 0.412 1
1 264 . 14 1 1 A 24 24 GLN N N 24 116.046 116.416 -0.370 1
1 266 . 14 1 1 A 25 25 ALA H H 25 8.491 8.176 0.315 1
1 267 . 14 1 1 A 25 25 ALA HA H 25 4.600 4.191 0.409 1
1 271 . 14 1 1 A 25 25 ALA C C 25 174.729 178.002 -3.273 1
1 272 . 14 1 1 A 25 25 ALA CA C 25 51.416 54.331 -2.915 1
1 273 . 14 1 1 A 25 25 ALA CB C 25 21.350 19.517 1.833 1
1 274 . 14 1 1 A 25 25 ALA N N 25 120.372 120.405 -0.033 1
1 275 . 14 1 1 A 26 26 HIS H H 26 8.476 7.740 0.736 1
1 276 . 14 1 1 A 26 26 HIS HA H 26 4.736 4.218 0.518 1
1 280 . 14 1 1 A 26 26 HIS C C 26 176.751 173.949 2.802 1
1 281 . 14 1 1 A 26 26 HIS CA C 26 56.211 57.309 -1.098 1
1 282 . 14 1 1 A 26 26 HIS CB C 26 31.838 27.137 4.701 1
1 284 . 14 1 1 A 26 26 HIS N N 26 117.648 112.483 5.165 1
1 285 . 14 1 1 A 27 27 LYS H H 27 7.540 7.584 -0.044 1
1 286 . 14 1 1 A 27 27 LYS HA H 27 4.766 4.933 -0.167 1
1 295 . 14 1 1 A 27 27 LYS C C 27 176.918 174.821 2.097 1
1 296 . 14 1 1 A 27 27 LYS CA C 27 55.877 55.009 0.868 1
1 297 . 14 1 1 A 27 27 LYS CB C 27 36.796 36.583 0.213 1
1 301 . 14 1 1 A 27 27 LYS N N 27 116.451 118.002 -1.551 1
1 302 . 14 1 1 A 28 28 ILE H H 28 8.320 8.625 -0.305 1
1 303 . 14 1 1 A 28 28 ILE HA H 28 4.319 4.902 -0.583 1
1 310 . 14 1 1 A 28 28 ILE C C 28 176.921 175.556 1.365 1
1 311 . 14 1 1 A 28 28 ILE CA C 28 60.552 60.215 0.337 1
1 312 . 14 1 1 A 28 28 ILE CB C 28 38.843 42.053 -3.210 1
1 313 . 14 1 1 A 28 28 ILE N N 28 123.140 121.917 1.223 1
1 314 . 14 1 1 A 29 29 GLU H H 29 9.001 9.346 -0.345 1
1 315 . 14 1 1 A 29 29 GLU HA H 29 4.446 4.323 0.123 1
1 320 . 14 1 1 A 29 29 GLU C C 29 174.406 176.325 -1.919 1
1 321 . 14 1 1 A 29 29 GLU CA C 29 57.363 58.206 -0.843 1
1 322 . 14 1 1 A 29 29 GLU CB C 29 31.761 30.828 0.933 1
1 324 . 14 1 1 A 29 29 GLU N N 29 125.872 128.225 -2.353 1
1 325 . 14 1 1 A 30 30 ARG H H 30 7.654 7.413 0.241 1
1 326 . 14 1 1 A 30 30 ARG HA H 30 5.282 5.064 0.218 1
1 334 . 14 1 1 A 30 30 ARG C C 30 178.750 173.250 5.500 1
1 335 . 14 1 1 A 30 30 ARG CA C 30 55.558 54.959 0.599 1
1 336 . 14 1 1 A 30 30 ARG CB C 30 34.774 33.238 1.536 1
1 338 . 14 1 1 A 30 30 ARG N N 30 119.436 115.407 4.029 1
1 340 . 14 1 1 A 31 31 VAL H H 31 9.234 8.777 0.457 1
1 341 . 14 1 1 A 31 31 VAL HA H 31 4.397 4.980 -0.583 1
1 349 . 14 1 1 A 31 31 VAL C C 31 178.662 173.887 4.775 1
1 350 . 14 1 1 A 31 31 VAL CA C 31 60.882 60.135 0.747 1
1 351 . 14 1 1 A 31 31 VAL CB C 31 34.494 34.669 -0.175 1
1 354 . 14 1 1 A 31 31 VAL N N 31 127.428 120.006 7.422 1
1 355 . 14 1 1 A 32 32 VAL H H 32 8.626 9.158 -0.532 1
1 356 . 14 1 1 A 32 32 VAL HA H 32 5.039 4.563 0.476 1
1 364 . 14 1 1 A 32 32 VAL C C 32 175.519 175.286 0.233 1
1 365 . 14 1 1 A 32 32 VAL CA C 32 60.917 62.550 -1.633 1
1 366 . 14 1 1 A 32 32 VAL CB C 32 31.892 31.546 0.346 1
1 368 . 14 1 1 A 32 32 VAL N N 32 126.581 129.685 -3.104 1
1 369 . 14 1 1 A 33 33 VAL H H 33 8.802 9.155 -0.353 1
1 370 . 14 1 1 A 33 33 VAL HA H 33 4.917 4.488 0.429 1
1 378 . 14 1 1 A 33 33 VAL C C 33 178.038 175.061 2.977 1
1 379 . 14 1 1 A 33 33 VAL CA C 33 58.975 60.794 -1.819 1
1 380 . 14 1 1 A 33 33 VAL CB C 33 35.109 35.198 -0.089 1
1 383 . 14 1 1 A 33 33 VAL N N 33 122.994 126.983 -3.989 1
1 384 . 14 1 1 A 34 34 GLY H H 34 9.535 9.158 0.377 1
1 385 . 14 1 1 A 34 34 GLY HA2 H 34 5.187 4.055 1.132 1
1 386 . 14 1 1 A 34 34 GLY HA3 H 34 3.404 4.059 -0.655 1
1 387 . 14 1 1 A 34 34 GLY C C 34 178.060 172.599 5.461 1
1 388 . 14 1 1 A 34 34 GLY CA C 34 44.108 44.942 -0.834 1
1 389 . 14 1 1 A 34 34 GLY N N 34 112.269 114.945 -2.676 1
1 390 . 14 1 1 A 35 35 ILE H H 35 8.761 9.706 -0.945 1
1 391 . 14 1 1 A 35 35 ILE HA H 35 4.340 4.634 -0.294 1
1 401 . 14 1 1 A 35 35 ILE C C 35 174.823 176.122 -1.299 1
1 402 . 14 1 1 A 35 35 ILE CA C 35 60.287 59.640 0.647 1
1 403 . 14 1 1 A 35 35 ILE CB C 35 39.357 40.355 -0.998 1
1 407 . 14 1 1 A 35 35 ILE N N 35 123.848 125.953 -2.105 1
1 408 . 14 1 1 A 36 36 GLY H H 36 8.439 8.573 -0.134 1
1 409 . 14 1 1 A 36 36 GLY HA2 H 36 3.321 4.109 -0.788 1
1 410 . 14 1 1 A 36 36 GLY HA3 H 36 4.444 4.111 0.333 1
1 411 . 14 1 1 A 36 36 GLY C C 36 175.743 175.044 0.699 1
1 412 . 14 1 1 A 36 36 GLY CA C 36 46.389 45.746 0.643 1
1 413 . 14 1 1 A 36 36 GLY N N 36 117.219 114.050 3.169 1
1 414 . 14 1 1 A 37 37 GLU H H 37 8.756 9.061 -0.305 1
1 415 . 14 1 1 A 37 37 GLU HA H 37 4.277 4.115 0.162 1
1 420 . 14 1 1 A 37 37 GLU C C 37 174.413 176.789 -2.376 1
1 421 . 14 1 1 A 37 37 GLU CA C 37 58.568 58.477 0.091 1
1 422 . 14 1 1 A 37 37 GLU CB C 37 29.809 29.111 0.698 1
1 424 . 14 1 1 A 37 37 GLU N N 37 124.260 120.825 3.435 1
1 425 . 14 1 1 A 38 38 ARG H H 38 8.483 7.823 0.660 1
1 426 . 14 1 1 A 38 38 ARG HA H 38 4.594 4.578 0.016 1
1 434 . 14 1 1 A 38 38 ARG C C 38 175.250 176.431 -1.181 1
1 435 . 14 1 1 A 38 38 ARG CA C 38 54.916 55.326 -0.410 1
1 436 . 14 1 1 A 38 38 ARG CB C 38 29.706 30.526 -0.820 1
1 439 . 14 1 1 A 38 38 ARG N N 38 117.248 119.863 -2.615 1
1 441 . 14 1 1 A 39 39 SER H H 39 7.630 7.640 -0.010 1
1 442 . 14 1 1 A 39 39 SER HA H 39 4.139 4.236 -0.097 1
1 445 . 14 1 1 A 39 39 SER C C 39 176.694 174.707 1.987 1
1 446 . 14 1 1 A 39 39 SER CA C 39 59.524 60.394 -0.870 1
1 447 . 14 1 1 A 39 39 SER CB C 39 64.248 64.201 0.047 1
1 448 . 14 1 1 A 39 39 SER N N 39 115.086 114.792 0.294 1
1 449 . 14 1 1 A 40 40 ALA H H 40 8.667 7.924 0.743 1
1 450 . 14 1 1 A 40 40 ALA HA H 40 4.267 3.997 0.270 1
1 454 . 14 1 1 A 40 40 ALA C C 40 174.406 176.293 -1.887 1
1 455 . 14 1 1 A 40 40 ALA CA C 40 52.641 53.678 -1.037 1
1 456 . 14 1 1 A 40 40 ALA CB C 40 17.976 17.867 0.109 1
1 457 . 14 1 1 A 40 40 ALA N N 40 126.133 121.282 4.851 1
1 458 . 14 1 1 A 41 41 MET H H 41 7.793 7.636 0.157 1
1 459 . 14 1 1 A 41 41 MET HA H 41 4.389 4.598 -0.209 1
1 467 . 14 1 1 A 41 41 MET C C 41 176.689 175.527 1.162 1
1 468 . 14 1 1 A 41 41 MET CA C 41 55.965 54.558 1.407 1
1 469 . 14 1 1 A 41 41 MET CB C 41 34.761 33.513 1.248 1
1 472 . 14 1 1 A 41 41 MET N N 41 117.758 116.881 0.877 1
1 473 . 14 1 1 A 42 42 ASP H H 42 9.667 8.971 0.696 1
1 474 . 14 1 1 A 42 42 ASP HA H 42 4.706 4.731 -0.025 1
1 477 . 14 1 1 A 42 42 ASP C C 42 174.559 177.336 -2.777 1
1 478 . 14 1 1 A 42 42 ASP CA C 42 53.363 53.767 -0.404 1
1 479 . 14 1 1 A 42 42 ASP CB C 42 41.740 39.448 2.292 1
1 480 . 14 1 1 A 42 42 ASP N N 42 125.565 123.169 2.396 1
1 481 . 14 1 1 A 43 43 LYS H H 43 8.928 8.187 0.741 1
1 482 . 14 1 1 A 43 43 LYS HA H 43 3.752 4.188 -0.436 1
1 491 . 14 1 1 A 43 43 LYS C C 43 173.737 178.566 -4.829 1
1 492 . 14 1 1 A 43 43 LYS CA C 43 60.966 59.325 1.641 1
1 493 . 14 1 1 A 43 43 LYS CB C 43 32.585 32.002 0.583 1
1 497 . 14 1 1 A 43 43 LYS N N 43 127.256 123.780 3.476 1
1 498 . 14 1 1 A 44 44 SER H H 44 8.327 7.801 0.526 1
1 499 . 14 1 1 A 44 44 SER HA H 44 4.009 4.286 -0.277 1
1 502 . 14 1 1 A 44 44 SER C C 44 174.032 177.558 -3.526 1
1 503 . 14 1 1 A 44 44 SER CA C 44 62.461 61.513 0.948 1
1 504 . 14 1 1 A 44 44 SER CB C 44 62.281 63.148 -0.867 1
1 505 . 14 1 1 A 44 44 SER N N 44 114.797 115.187 -0.390 1
1 506 . 14 1 1 A 45 45 LEU H H 45 7.878 8.115 -0.237 1
1 507 . 14 1 1 A 45 45 LEU HA H 45 4.254 4.148 0.106 1
1 517 . 14 1 1 A 45 45 LEU C C 45 172.915 178.967 -6.052 1
1 518 . 14 1 1 A 45 45 LEU CA C 45 57.128 58.383 -1.255 1
1 519 . 14 1 1 A 45 45 LEU CB C 45 41.738 41.902 -0.164 1
1 523 . 14 1 1 A 45 45 LEU N N 45 124.570 122.118 2.452 1
1 524 . 14 1 1 A 46 46 PHE H H 46 8.343 8.573 -0.230 1
1 525 . 14 1 1 A 46 46 PHE HA H 46 3.882 4.225 -0.343 1
1 532 . 14 1 1 A 46 46 PHE C C 46 175.104 176.937 -1.833 1
1 533 . 14 1 1 A 46 46 PHE CA C 46 61.820 61.547 0.273 1
1 534 . 14 1 1 A 46 46 PHE CB C 46 40.047 39.321 0.726 1
1 537 . 14 1 1 A 46 46 PHE N N 46 121.059 119.450 1.609 1
1 538 . 14 1 1 A 47 47 VAL H H 47 8.370 8.003 0.367 1
1 539 . 14 1 1 A 47 47 VAL HA H 47 3.466 3.300 0.166 1
1 547 . 14 1 1 A 47 47 VAL C C 47 173.353 177.884 -4.531 1
1 548 . 14 1 1 A 47 47 VAL CA C 47 67.220 64.474 2.746 1
1 549 . 14 1 1 A 47 47 VAL CB C 47 31.927 31.212 0.715 1
1 552 . 14 1 1 A 47 47 VAL N N 47 118.023 119.084 -1.061 1
1 553 . 14 1 1 A 48 48 SER H H 48 7.967 8.372 -0.405 1
1 554 . 14 1 1 A 48 48 SER HA H 48 4.268 4.253 0.015 1
1 557 . 14 1 1 A 48 48 SER C C 48 174.187 177.260 -3.073 1
1 558 . 14 1 1 A 48 48 SER CA C 48 61.789 61.312 0.477 1
1 559 . 14 1 1 A 48 48 SER CB C 48 62.761 62.560 0.201 1
1 560 . 14 1 1 A 48 48 SER N N 48 114.372 116.852 -2.480 1
1 561 . 14 1 1 A 49 49 ALA H H 49 8.489 8.074 0.415 1
1 562 . 14 1 1 A 49 49 ALA HA H 49 3.931 4.087 -0.156 1
1 566 . 14 1 1 A 49 49 ALA C C 49 172.626 179.467 -6.841 1
1 567 . 14 1 1 A 49 49 ALA CA C 49 55.067 55.023 0.044 1
1 568 . 14 1 1 A 49 49 ALA CB C 49 17.587 18.566 -0.979 1
1 569 . 14 1 1 A 49 49 ALA N N 49 124.199 123.826 0.373 1
1 570 . 14 1 1 A 50 50 PHE H H 50 8.510 8.560 -0.050 1
1 571 . 14 1 1 A 50 50 PHE HA H 50 3.763 4.030 -0.267 1
1 578 . 14 1 1 A 50 50 PHE C C 50 174.923 177.762 -2.839 1
1 579 . 14 1 1 A 50 50 PHE CA C 50 63.098 61.969 1.129 1
1 580 . 14 1 1 A 50 50 PHE CB C 50 39.465 39.027 0.438 1
1 583 . 14 1 1 A 50 50 PHE N N 50 120.967 119.691 1.276 1
1 584 . 14 1 1 A 51 51 GLU H H 51 8.561 8.747 -0.186 1
1 585 . 14 1 1 A 51 51 GLU HA H 51 3.717 3.531 0.186 1
1 590 . 14 1 1 A 51 51 GLU C C 51 173.002 178.557 -5.555 1
1 591 . 14 1 1 A 51 51 GLU CA C 51 59.750 58.739 1.011 1
1 592 . 14 1 1 A 51 51 GLU CB C 51 29.330 27.952 1.378 1
1 594 . 14 1 1 A 51 51 GLU N N 51 116.915 117.592 -0.677 1
1 595 . 14 1 1 A 52 52 THR H H 52 7.759 7.358 0.401 1
1 596 . 14 1 1 A 52 52 THR HA H 52 4.090 3.787 0.303 1
1 601 . 14 1 1 A 52 52 THR C C 52 174.897 176.424 -1.527 1
1 602 . 14 1 1 A 52 52 THR CA C 52 65.899 66.463 -0.564 1
1 603 . 14 1 1 A 52 52 THR CB C 52 69.172 68.570 0.602 1
1 605 . 14 1 1 A 52 52 THR N N 52 114.348 117.005 -2.657 1
1 606 . 14 1 1 A 53 53 PHE H H 53 8.725 8.130 0.595 1
1 607 . 14 1 1 A 53 53 PHE HA H 53 4.335 4.352 -0.017 1
1 614 . 14 1 1 A 53 53 PHE C C 53 172.389 177.882 -5.493 1
1 615 . 14 1 1 A 53 53 PHE CA C 53 60.011 61.875 -1.864 1
1 616 . 14 1 1 A 53 53 PHE CB C 53 38.244 37.476 0.768 1
1 619 . 14 1 1 A 53 53 PHE N N 53 120.493 118.228 2.265 1
1 620 . 14 1 1 A 54 54 ARG H H 54 8.579 8.260 0.319 1
1 621 . 14 1 1 A 54 54 ARG HA H 54 3.626 3.829 -0.203 1
1 625 . 14 1 1 A 54 54 ARG C C 54 175.195 178.781 -3.586 1
1 626 . 14 1 1 A 54 54 ARG CA C 54 59.252 59.198 0.054 1
1 627 . 14 1 1 A 54 54 ARG CB C 54 26.544 29.650 -3.106 1
1 629 . 14 1 1 A 54 54 ARG N N 54 119.132 120.607 -1.475 1
1 631 . 14 1 1 A 55 55 GLU H H 55 6.758 8.119 -1.361 1
1 632 . 14 1 1 A 55 55 GLU HA H 55 3.983 4.235 -0.252 1
1 637 . 14 1 1 A 55 55 GLU C C 55 174.356 179.276 -4.920 1
1 638 . 14 1 1 A 55 55 GLU CA C 55 58.002 58.512 -0.510 1
1 639 . 14 1 1 A 55 55 GLU CB C 55 29.865 29.345 0.520 1
1 641 . 14 1 1 A 55 55 GLU N N 55 115.466 118.965 -3.499 1
1 642 . 14 1 1 A 56 56 GLU H H 56 7.245 7.757 -0.512 1
1 643 . 14 1 1 A 56 56 GLU HA H 56 4.294 4.127 0.167 1
1 648 . 14 1 1 A 56 56 GLU C C 56 175.946 175.954 -0.008 1
1 649 . 14 1 1 A 56 56 GLU CA C 56 55.827 58.789 -2.962 1
1 650 . 14 1 1 A 56 56 GLU CB C 56 30.030 29.767 0.263 1
1 652 . 14 1 1 A 56 56 GLU N N 56 114.653 119.399 -4.746 1
1 653 . 14 1 1 A 57 57 SER H H 57 7.405 7.881 -0.476 1
1 654 . 14 1 1 A 57 57 SER HA H 57 4.707 4.883 -0.176 1
1 657 . 14 1 1 A 57 57 SER C C 57 176.895 173.940 2.955 1
1 658 . 14 1 1 A 57 57 SER CA C 57 55.456 57.618 -2.162 1
1 659 . 14 1 1 A 57 57 SER CB C 57 64.059 65.476 -1.417 1
1 660 . 14 1 1 A 57 57 SER N N 57 114.312 112.912 1.400 1
1 661 . 14 1 1 A 58 58 LEU H H 58 8.819 9.019 -0.200 1
1 662 . 14 1 1 A 58 58 LEU HA H 58 4.120 4.010 0.110 1
1 672 . 14 1 1 A 58 58 LEU C C 58 172.006 179.076 -7.070 1
1 673 . 14 1 1 A 58 58 LEU CA C 58 58.438 58.141 0.297 1
1 674 . 14 1 1 A 58 58 LEU CB C 58 41.839 41.408 0.431 1
1 678 . 14 1 1 A 58 58 LEU N N 58 129.477 126.045 3.432 1
1 679 . 14 1 1 A 59 59 VAL H H 59 7.929 7.967 -0.038 1
1 680 . 14 1 1 A 59 59 VAL HA H 59 4.305 4.169 0.136 1
1 688 . 14 1 1 A 59 59 VAL C C 59 173.624 178.034 -4.410 1
1 689 . 14 1 1 A 59 59 VAL CA C 59 64.028 63.936 0.092 1
1 690 . 14 1 1 A 59 59 VAL CB C 59 33.135 31.188 1.947 1
1 693 . 14 1 1 A 59 59 VAL N N 59 112.367 113.629 -1.262 1
1 694 . 14 1 1 A 60 60 CYS H H 60 7.786 8.065 -0.279 1
1 695 . 14 1 1 A 60 60 CYS HA H 60 4.589 4.410 0.179 1
1 698 . 14 1 1 A 60 60 CYS C C 60 176.508 176.949 -0.441 1
1 699 . 14 1 1 A 60 60 CYS CA C 60 59.907 61.757 -1.850 1
1 700 . 14 1 1 A 60 60 CYS CB C 60 28.211 26.409 1.802 1
1 701 . 14 1 1 A 60 60 CYS N N 60 115.412 120.106 -4.694 1
1 702 . 14 1 1 A 61 61 LYS H H 61 7.415 7.446 -0.031 1
1 703 . 14 1 1 A 61 61 LYS HA H 61 3.820 4.012 -0.192 1
1 712 . 14 1 1 A 61 61 LYS C C 61 175.812 177.394 -1.582 1
1 713 . 14 1 1 A 61 61 LYS CA C 61 60.389 58.400 1.989 1
1 714 . 14 1 1 A 61 61 LYS CB C 61 32.606 32.349 0.257 1
1 718 . 14 1 1 A 61 61 LYS N N 61 120.942 120.063 0.879 1
1 719 . 14 1 1 A 62 62 ASP C C 62 175.254 176.092 -0.838 1
1 720 . 14 1 1 A 62 62 ASP CA C 62 55.159 55.095 0.064 1
1 721 . 14 1 1 A 62 62 ASP CB C 62 42.358 41.637 0.721 1
1 722 . 14 1 1 A 64 64 ILE H H 64 7.784 8.585 -0.801 1
1 723 . 14 1 1 A 64 64 ILE HA H 64 4.126 5.027 -0.901 1
1 733 . 14 1 1 A 64 64 ILE C C 64 177.456 174.199 3.257 1
1 734 . 14 1 1 A 64 64 ILE CA C 64 60.516 59.844 0.672 1
1 735 . 14 1 1 A 64 64 ILE CB C 64 39.990 41.727 -1.737 1
1 739 . 14 1 1 A 64 64 ILE N N 64 122.653 120.614 2.039 1
1 740 . 14 1 1 A 65 65 LEU H H 65 8.357 8.592 -0.235 1
1 741 . 14 1 1 A 65 65 LEU HA H 65 4.858 4.594 0.264 1
1 751 . 14 1 1 A 65 65 LEU C C 65 176.625 174.251 2.374 1
1 752 . 14 1 1 A 65 65 LEU CA C 65 53.315 53.703 -0.388 1
1 753 . 14 1 1 A 65 65 LEU CB C 65 43.307 43.685 -0.378 1
1 757 . 14 1 1 A 65 65 LEU N N 65 128.311 127.642 0.669 1
1 758 . 14 1 1 A 66 66 ASP H H 66 9.088 9.053 0.035 1
1 759 . 14 1 1 A 66 66 ASP HA H 66 5.009 5.015 -0.006 1
1 762 . 14 1 1 A 66 66 ASP C C 66 177.504 175.113 2.391 1
1 763 . 14 1 1 A 66 66 ASP CA C 66 53.137 52.989 0.148 1
1 764 . 14 1 1 A 66 66 ASP CB C 66 44.234 40.645 3.589 1
1 765 . 14 1 1 A 66 66 ASP N N 66 129.457 125.958 3.499 1
1 766 . 14 1 1 A 67 67 ILE H H 67 8.240 8.423 -0.183 1
1 767 . 14 1 1 A 67 67 ILE HA H 67 4.759 4.389 0.370 1
1 777 . 14 1 1 A 67 67 ILE C C 67 175.569 175.604 -0.035 1
1 778 . 14 1 1 A 67 67 ILE CA C 67 59.640 61.924 -2.284 1
1 779 . 14 1 1 A 67 67 ILE CB C 67 39.948 38.007 1.941 1
1 783 . 14 1 1 A 67 67 ILE N N 67 120.821 124.961 -4.140 1
1 784 . 14 1 1 A 68 68 VAL H H 68 9.310 9.011 0.299 1
1 785 . 14 1 1 A 68 68 VAL HA H 68 4.149 4.489 -0.340 1
1 793 . 14 1 1 A 68 68 VAL C C 68 176.697 174.740 1.957 1
1 794 . 14 1 1 A 68 68 VAL CA C 68 60.707 60.911 -0.204 1
1 795 . 14 1 1 A 68 68 VAL CB C 68 34.121 34.712 -0.591 1
1 798 . 14 1 1 A 68 68 VAL N N 68 130.182 128.812 1.370 1
1 799 . 14 1 1 A 69 69 ASP H H 69 8.577 8.779 -0.202 1
1 800 . 14 1 1 A 69 69 ASP HA H 69 4.847 4.791 0.056 1
1 803 . 14 1 1 A 69 69 ASP C C 69 175.713 174.483 1.230 1
1 804 . 14 1 1 A 69 69 ASP CA C 69 54.357 53.651 0.706 1
1 805 . 14 1 1 A 69 69 ASP CB C 69 41.353 41.037 0.316 1
1 806 . 14 1 1 A 69 69 ASP N N 69 127.151 127.923 -0.772 1
1 807 . 14 1 1 A 70 70 GLU H H 70 7.857 8.796 -0.939 1
1 808 . 14 1 1 A 70 70 GLU HA H 70 4.563 4.588 -0.025 1
1 813 . 14 1 1 A 70 70 GLU C C 70 176.179 176.264 -0.085 1
1 814 . 14 1 1 A 70 70 GLU CA C 70 56.333 56.044 0.289 1
1 815 . 14 1 1 A 70 70 GLU CB C 70 31.503 30.464 1.039 1
1 817 . 14 1 1 A 70 70 GLU N N 70 123.503 126.994 -3.491 1
1 818 . 14 1 1 A 71 71 LYS H H 71 8.517 8.415 0.102 1
1 819 . 14 1 1 A 71 71 LYS HA H 71 4.261 4.517 -0.256 1
1 828 . 14 1 1 A 71 71 LYS C C 71 175.084 176.499 -1.415 1
1 829 . 14 1 1 A 71 71 LYS CA C 71 55.210 56.959 -1.749 1
1 830 . 14 1 1 A 71 71 LYS CB C 71 33.019 32.750 0.269 1
1 834 . 14 1 1 A 71 71 LYS N N 71 124.197 123.803 0.394 1
1 835 . 14 1 1 A 72 72 VAL H H 72 8.612 8.639 -0.027 1
1 836 . 14 1 1 A 72 72 VAL HA H 72 4.277 4.414 -0.137 1
1 844 . 14 1 1 A 72 72 VAL C C 72 176.529 175.069 1.460 1
1 845 . 14 1 1 A 72 72 VAL CA C 72 63.133 62.289 0.844 1
1 846 . 14 1 1 A 72 72 VAL CB C 72 32.188 32.857 -0.669 1
1 849 . 14 1 1 A 72 72 VAL N N 72 119.616 124.087 -4.471 1
1 850 . 14 1 1 A 73 73 GLU H H 73 7.750 8.808 -1.058 1
1 851 . 14 1 1 A 73 73 GLU HA H 73 4.469 4.848 -0.379 1
1 856 . 14 1 1 A 73 73 GLU C C 73 178.456 174.321 4.135 1
1 857 . 14 1 1 A 73 73 GLU CA C 73 55.241 55.287 -0.046 1
1 858 . 14 1 1 A 73 73 GLU CB C 73 34.536 34.138 0.398 1
1 860 . 14 1 1 A 73 73 GLU N N 73 126.126 126.812 -0.686 1
1 861 . 14 1 1 A 74 74 LEU H H 74 8.495 9.508 -1.013 1
1 862 . 14 1 1 A 74 74 LEU HA H 74 5.207 4.933 0.274 1
1 869 . 14 1 1 A 74 74 LEU C C 74 176.827 175.355 1.472 1
1 870 . 14 1 1 A 74 74 LEU CA C 74 52.600 53.823 -1.223 1
1 871 . 14 1 1 A 74 74 LEU CB C 74 45.404 42.851 2.553 1
1 874 . 14 1 1 A 74 74 LEU N N 74 123.821 127.293 -3.472 1
1 875 . 14 1 1 A 75 75 GLU H H 75 8.770 8.547 0.223 1
1 876 . 14 1 1 A 75 75 GLU HA H 75 5.127 4.295 0.832 1
1 881 . 14 1 1 A 75 75 GLU C C 75 176.617 175.567 1.050 1
1 882 . 14 1 1 A 75 75 GLU CA C 75 53.748 55.976 -2.228 1
1 883 . 14 1 1 A 75 75 GLU CB C 75 33.910 30.612 3.298 1
1 885 . 14 1 1 A 75 75 GLU N N 75 118.723 125.236 -6.513 1
1 886 . 14 1 1 A 76 76 CYS H H 76 9.354 8.255 1.099 1
1 887 . 14 1 1 A 76 76 CYS HA H 76 4.665 4.745 -0.080 1
1 890 . 14 1 1 A 76 76 CYS C C 76 173.085 175.213 -2.128 1
1 891 . 14 1 1 A 76 76 CYS CA C 76 59.386 57.136 2.250 1
1 892 . 14 1 1 A 76 76 CYS CB C 76 32.476 29.660 2.816 1
1 893 . 14 1 1 A 76 76 CYS N N 76 128.378 123.085 5.293 1
1 894 . 14 1 1 A 77 77 LYS H H 77 9.328 8.477 0.851 1
1 895 . 14 1 1 A 77 77 LYS HA H 77 4.279 3.988 0.291 1
1 904 . 14 1 1 A 77 77 LYS C C 77 174.709 177.024 -2.315 1
1 905 . 14 1 1 A 77 77 LYS CA C 77 56.997 59.279 -2.282 1
1 906 . 14 1 1 A 77 77 LYS CB C 77 31.240 32.685 -1.445 1
1 910 . 14 1 1 A 77 77 LYS N N 77 129.264 124.742 4.522 1
1 911 . 14 1 1 A 78 78 ASP H H 78 9.182 8.181 1.001 1
1 912 . 14 1 1 A 78 78 ASP HA H 78 4.945 4.855 0.090 1
1 915 . 14 1 1 A 78 78 ASP C C 78 173.961 174.508 -0.547 1
1 916 . 14 1 1 A 78 78 ASP CA C 78 56.797 52.772 4.025 1
1 917 . 14 1 1 A 78 78 ASP CB C 78 42.214 41.108 1.106 1
1 918 . 14 1 1 A 78 78 ASP N N 78 122.206 116.743 5.463 1
1 919 . 14 1 1 A 79 79 CYS H H 79 9.871 7.965 1.906 1
1 920 . 14 1 1 A 79 79 CYS HA H 79 5.165 4.792 0.373 1
1 923 . 14 1 1 A 79 79 CYS C C 79 174.253 172.693 1.560 1
1 924 . 14 1 1 A 79 79 CYS CA C 79 59.123 57.783 1.340 1
1 925 . 14 1 1 A 79 79 CYS CB C 79 32.286 30.279 2.007 1
1 926 . 14 1 1 A 79 79 CYS N N 79 124.020 122.881 1.139 1
1 927 . 14 1 1 A 80 80 SER H H 80 7.667 8.572 -0.905 1
1 928 . 14 1 1 A 80 80 SER HA H 80 4.564 4.862 -0.298 1
1 931 . 14 1 1 A 80 80 SER C C 80 178.621 173.802 4.819 1
1 932 . 14 1 1 A 80 80 SER CA C 80 62.038 57.305 4.733 1
1 933 . 14 1 1 A 80 80 SER CB C 80 62.215 64.553 -2.338 1
1 934 . 14 1 1 A 80 80 SER N N 80 115.904 115.818 0.086 1
1 935 . 14 1 1 A 81 81 HIS H H 81 8.916 7.538 1.378 1
1 936 . 14 1 1 A 81 81 HIS HA H 81 4.649 4.927 -0.278 1
1 941 . 14 1 1 A 81 81 HIS C C 81 178.299 173.077 5.222 1
1 942 . 14 1 1 A 81 81 HIS CA C 81 58.348 54.535 3.813 1
1 943 . 14 1 1 A 81 81 HIS CB C 81 33.016 33.336 -0.320 1
1 946 . 14 1 1 A 81 81 HIS N N 81 125.397 120.665 4.732 1
1 949 . 14 1 1 A 82 82 VAL H H 82 7.058 8.352 -1.294 1
1 950 . 14 1 1 A 82 82 VAL HA H 82 5.212 4.465 0.747 1
1 958 . 14 1 1 A 82 82 VAL C C 82 176.161 173.668 2.493 1
1 959 . 14 1 1 A 82 82 VAL CA C 82 60.567 59.389 1.178 1
1 960 . 14 1 1 A 82 82 VAL CB C 82 34.355 35.476 -1.121 1
1 963 . 14 1 1 A 82 82 VAL N N 82 125.314 124.592 0.722 1
1 964 . 14 1 1 A 83 83 PHE H H 83 8.883 8.543 0.340 1
1 965 . 14 1 1 A 83 83 PHE HA H 83 4.842 5.283 -0.441 1
1 972 . 14 1 1 A 83 83 PHE C C 83 179.687 172.873 6.814 1
1 973 . 14 1 1 A 83 83 PHE CA C 83 55.495 55.297 0.198 1
1 974 . 14 1 1 A 83 83 PHE CB C 83 40.651 41.513 -0.862 1
1 978 . 14 1 1 A 83 83 PHE N N 83 122.377 121.923 0.454 1
1 979 . 14 1 1 A 84 84 LYS H H 84 8.658 8.714 -0.056 1
1 980 . 14 1 1 A 84 84 LYS HA H 84 5.001 5.005 -0.004 1
1 989 . 14 1 1 A 84 84 LYS C C 84 176.705 175.003 1.702 1
1 990 . 14 1 1 A 84 84 LYS CA C 84 52.738 53.859 -1.121 1
1 991 . 14 1 1 A 84 84 LYS CB C 84 32.660 33.654 -0.994 1
1 995 . 14 1 1 A 84 84 LYS N N 84 121.116 117.682 3.434 1
1 996 . 14 1 1 A 85 85 PRO HA H 85 4.663 4.868 -0.205 1
1 1003 . 14 1 1 A 85 85 PRO C C 85 174.722 175.400 -0.678 1
1 1004 . 14 1 1 A 85 85 PRO CA C 85 62.633 62.677 -0.044 1
1 1005 . 14 1 1 A 85 85 PRO CB C 85 32.712 32.998 -0.286 1
1 1008 . 14 1 1 A 86 86 ASN H H 86 8.983 8.547 0.436 1
1 1009 . 14 1 1 A 86 86 ASN HA H 86 4.704 5.103 -0.399 1
1 1014 . 14 1 1 A 86 86 ASN C C 86 176.576 174.314 2.262 1
1 1015 . 14 1 1 A 86 86 ASN CA C 86 53.552 51.388 2.164 1
1 1016 . 14 1 1 A 86 86 ASN CB C 86 39.208 42.555 -3.347 1
1 1017 . 14 1 1 A 86 86 ASN N N 86 119.549 118.114 1.435 1
1 1019 . 14 1 1 A 87 87 ALA H H 87 8.122 8.532 -0.410 1
1 1020 . 14 1 1 A 87 87 ALA HA H 87 4.369 4.437 -0.068 1
1 1024 . 14 1 1 A 87 87 ALA C C 87 174.154 179.080 -4.926 1
1 1025 . 14 1 1 A 87 87 ALA CA C 87 52.560 52.413 0.147 1
1 1026 . 14 1 1 A 87 87 ALA CB C 87 19.660 19.669 -0.009 1
1 1027 . 14 1 1 A 87 87 ALA N N 87 122.483 123.117 -0.634 1
1 1028 . 14 1 1 A 88 88 LEU H H 88 8.195 8.866 -0.671 1
1 1029 . 14 1 1 A 88 88 LEU HA H 88 4.192 3.942 0.250 1
1 1039 . 14 1 1 A 88 88 LEU C C 88 174.871 178.553 -3.682 1
1 1040 . 14 1 1 A 88 88 LEU CA C 88 55.691 57.880 -2.189 1
1 1041 . 14 1 1 A 88 88 LEU CB C 88 41.708 41.478 0.230 1
1 1045 . 14 1 1 A 88 88 LEU N N 88 118.730 120.197 -1.467 1
1 1046 . 14 1 1 A 89 89 ASP H H 89 7.902 7.989 -0.087 1
1 1047 . 14 1 1 A 89 89 ASP HA H 89 4.601 4.239 0.362 1
1 1050 . 14 1 1 A 89 89 ASP C C 89 175.940 176.366 -0.426 1
1 1051 . 14 1 1 A 89 89 ASP CA C 89 53.641 55.893 -2.252 1
1 1052 . 14 1 1 A 89 89 ASP CB C 89 40.953 40.093 0.860 1
1 1053 . 14 1 1 A 89 89 ASP N N 89 118.577 119.400 -0.823 1
1 1054 . 14 1 1 A 90 90 TYR H H 90 7.922 8.021 -0.099 1
1 1055 . 14 1 1 A 90 90 TYR HA H 90 4.551 4.818 -0.267 1
1 1062 . 14 1 1 A 90 90 TYR C C 90 175.338 176.747 -1.409 1
1 1063 . 14 1 1 A 90 90 TYR CA C 90 57.505 57.922 -0.417 1
1 1064 . 14 1 1 A 90 90 TYR CB C 90 38.147 39.402 -1.255 1
1 1067 . 14 1 1 A 90 90 TYR N N 90 121.632 116.739 4.893 1
1 1068 . 14 1 1 A 91 91 GLY H H 91 8.313 8.041 0.272 1
1 1069 . 14 1 1 A 91 91 GLY HA2 H 91 3.966 4.042 -0.076 1
1 1070 . 14 1 1 A 91 91 GLY HA3 H 91 3.784 4.077 -0.293 1
1 1071 . 14 1 1 A 91 91 GLY C C 91 178.622 174.355 4.267 1
1 1072 . 14 1 1 A 91 91 GLY CA C 91 45.916 45.811 0.105 1
1 1073 . 14 1 1 A 91 91 GLY N N 91 108.097 109.032 -0.935 1
1 1074 . 14 1 1 A 92 92 VAL H H 92 7.078 7.651 -0.573 1
1 1075 . 14 1 1 A 92 92 VAL HA H 92 4.810 4.336 0.474 1
1 1083 . 14 1 1 A 92 92 VAL C C 92 176.954 175.918 1.036 1
1 1084 . 14 1 1 A 92 92 VAL CA C 92 59.083 61.823 -2.740 1
1 1085 . 14 1 1 A 92 92 VAL CB C 92 35.602 32.960 2.642 1
1 1088 . 14 1 1 A 92 92 VAL N N 92 113.901 118.640 -4.739 1
1 1089 . 14 1 1 A 93 93 CYS H H 93 9.086 8.712 0.374 1
1 1090 . 14 1 1 A 93 93 CYS HA H 93 4.118 4.727 -0.609 1
1 1093 . 14 1 1 A 93 93 CYS C C 93 173.477 176.855 -3.378 1
1 1094 . 14 1 1 A 93 93 CYS CA C 93 60.511 60.160 0.351 1
1 1095 . 14 1 1 A 93 93 CYS CB C 93 31.124 28.405 2.719 1
1 1096 . 14 1 1 A 93 93 CYS N N 93 126.248 123.186 3.062 1
1 1097 . 14 1 1 A 94 94 GLU H H 94 5.667 9.320 -3.653 1
1 1098 . 14 1 1 A 94 94 GLU HA H 94 4.073 4.333 -0.260 1
1 1103 . 14 1 1 A 94 94 GLU C C 94 176.973 178.663 -1.690 1
1 1104 . 14 1 1 A 94 94 GLU CA C 94 57.434 58.585 -1.151 1
1 1105 . 14 1 1 A 94 94 GLU CB C 94 28.813 29.141 -0.328 1
1 1107 . 14 1 1 A 94 94 GLU N N 94 126.541 126.254 0.287 1
1 1108 . 14 1 1 A 95 95 LYS H H 95 9.002 7.297 1.705 1
1 1109 . 14 1 1 A 95 95 LYS HA H 95 4.076 4.139 -0.063 1
1 1118 . 14 1 1 A 95 95 LYS C C 95 174.890 176.804 -1.914 1
1 1119 . 14 1 1 A 95 95 LYS CA C 95 57.782 58.433 -0.651 1
1 1120 . 14 1 1 A 95 95 LYS CB C 95 34.056 33.010 1.046 1
1 1124 . 14 1 1 A 95 95 LYS N N 95 123.753 117.787 5.966 1
1 1125 . 14 1 1 A 96 96 CYS H H 96 9.063 7.578 1.485 1
1 1126 . 14 1 1 A 96 96 CYS HA H 96 4.755 4.543 0.212 1
1 1129 . 14 1 1 A 96 96 CYS C C 96 174.775 173.269 1.506 1
1 1130 . 14 1 1 A 96 96 CYS CA C 96 58.756 57.330 1.426 1
1 1131 . 14 1 1 A 96 96 CYS CB C 96 32.066 29.035 3.031 1
1 1132 . 14 1 1 A 96 96 CYS N N 96 120.699 115.266 5.433 1
1 1133 . 14 1 1 A 97 97 HIS H H 97 7.541 8.546 -1.005 1
1 1134 . 14 1 1 A 97 97 HIS HA H 97 4.474 4.903 -0.429 1
1 1139 . 14 1 1 A 97 97 HIS C C 97 178.193 174.538 3.655 1
1 1140 . 14 1 1 A 97 97 HIS CA C 97 57.481 54.797 2.684 1
1 1141 . 14 1 1 A 97 97 HIS CB C 97 27.126 27.632 -0.506 1
1 1144 . 14 1 1 A 97 97 HIS N N 97 116.676 125.491 -8.815 1
1 1147 . 14 1 1 A 98 98 SER H H 98 8.775 8.329 0.446 1
1 1148 . 14 1 1 A 98 98 SER HA H 98 4.322 4.984 -0.662 1
1 1151 . 14 1 1 A 98 98 SER C C 98 176.432 173.802 2.630 1
1 1152 . 14 1 1 A 98 98 SER CA C 98 58.923 57.396 1.527 1
1 1153 . 14 1 1 A 98 98 SER CB C 98 64.790 66.980 -2.190 1
1 1154 . 14 1 1 A 98 98 SER N N 98 116.989 117.115 -0.126 1
1 1155 . 14 1 1 A 99 99 LYS H H 99 8.567 8.830 -0.263 1
1 1156 . 14 1 1 A 99 99 LYS HA H 99 4.935 4.472 0.463 1
1 1165 . 14 1 1 A 99 99 LYS C C 99 173.648 177.325 -3.677 1
1 1166 . 14 1 1 A 99 99 LYS CA C 99 56.417 56.823 -0.406 1
1 1167 . 14 1 1 A 99 99 LYS CB C 99 32.366 31.877 0.489 1
1 1171 . 14 1 1 A 99 99 LYS N N 99 122.510 124.926 -2.416 1
1 1172 . 14 1 1 A 100 100 ASN H H 100 9.426 8.154 1.272 1
1 1173 . 14 1 1 A 100 100 ASN HA H 100 4.916 4.586 0.330 1
1 1178 . 14 1 1 A 100 100 ASN C C 100 178.498 175.519 2.979 1
1 1179 . 14 1 1 A 100 100 ASN CA C 100 51.999 53.879 -1.880 1
1 1180 . 14 1 1 A 100 100 ASN CB C 100 36.539 37.538 -0.999 1
1 1181 . 14 1 1 A 100 100 ASN N N 100 124.489 117.284 7.205 1
1 1183 . 14 1 1 A 101 101 VAL H H 101 7.627 7.419 0.208 1
1 1184 . 14 1 1 A 101 101 VAL HA H 101 5.329 4.090 1.239 1
1 1192 . 14 1 1 A 101 101 VAL C C 101 175.484 176.085 -0.601 1
1 1193 . 14 1 1 A 101 101 VAL CA C 101 58.253 62.259 -4.006 1
1 1194 . 14 1 1 A 101 101 VAL CB C 101 34.692 32.326 2.366 1
1 1197 . 14 1 1 A 101 101 VAL N N 101 112.585 119.623 -7.038 1
1 1198 . 14 1 1 A 102 102 ILE H H 102 9.032 9.036 -0.004 1
1 1199 . 14 1 1 A 102 102 ILE HA H 102 4.671 4.805 -0.134 1
1 1209 . 14 1 1 A 102 102 ILE C C 102 177.283 174.451 2.832 1
1 1210 . 14 1 1 A 102 102 ILE CA C 102 58.979 58.406 0.573 1
1 1211 . 14 1 1 A 102 102 ILE CB C 102 41.970 41.770 0.200 1
1 1215 . 14 1 1 A 102 102 ILE N N 102 119.819 121.123 -1.304 1
1 1216 . 14 1 1 A 103 103 ILE H H 103 8.364 8.971 -0.607 1
1 1217 . 14 1 1 A 103 103 ILE HA H 103 4.527 4.299 0.228 1
1 1227 . 14 1 1 A 103 103 ILE C C 103 174.186 176.458 -2.272 1
1 1228 . 14 1 1 A 103 103 ILE CA C 103 61.366 61.242 0.124 1
1 1229 . 14 1 1 A 103 103 ILE CB C 103 38.577 37.018 1.559 1
1 1233 . 14 1 1 A 103 103 ILE N N 103 123.325 125.417 -2.092 1
1 1234 . 14 1 1 A 104 104 THR H H 104 8.796 8.700 0.096 1
1 1235 . 14 1 1 A 104 104 THR HA H 104 4.260 4.357 -0.097 1
1 1240 . 14 1 1 A 104 104 THR C C 104 176.317 173.848 2.469 1
1 1241 . 14 1 1 A 104 104 THR CA C 104 62.708 63.508 -0.800 1
1 1242 . 14 1 1 A 104 104 THR CB C 104 68.431 69.743 -1.312 1
1 1244 . 14 1 1 A 104 104 THR N N 104 120.825 123.566 -2.741 1
1 1245 . 14 1 1 A 105 105 GLN H H 105 7.705 7.757 -0.052 1
1 1246 . 14 1 1 A 105 105 GLN HA H 105 4.482 4.627 -0.145 1
1 1253 . 14 1 1 A 105 105 GLN C C 105 177.316 175.322 1.994 1
1 1254 . 14 1 1 A 105 105 GLN CA C 105 55.621 55.457 0.164 1
1 1255 . 14 1 1 A 105 105 GLN CB C 105 31.897 31.404 0.493 1
1 1257 . 14 1 1 A 105 105 GLN N N 105 118.599 120.061 -1.462 1
1 1259 . 14 1 1 A 106 106 GLY H H 106 9.091 8.811 0.280 1
1 1260 . 14 1 1 A 106 106 GLY HA2 H 106 3.472 3.998 -0.526 1
1 1261 . 14 1 1 A 106 106 GLY HA3 H 106 4.255 4.005 0.250 1
1 1262 . 14 1 1 A 106 106 GLY C C 106 178.226 175.266 2.960 1
1 1263 . 14 1 1 A 106 106 GLY CA C 106 45.497 45.672 -0.175 1
1 1264 . 14 1 1 A 106 106 GLY N N 106 106.938 114.641 -7.703 1
1 1265 . 14 1 1 A 107 107 ASN H H 107 8.542 8.008 0.534 1
1 1266 . 14 1 1 A 107 107 ASN HA H 107 4.670 4.384 0.286 1
1 1271 . 14 1 1 A 107 107 ASN C C 107 176.917 174.572 2.345 1
1 1272 . 14 1 1 A 107 107 ASN CA C 107 52.697 55.847 -3.150 1
1 1273 . 14 1 1 A 107 107 ASN CB C 107 39.745 39.539 0.206 1
1 1274 . 14 1 1 A 107 107 ASN N N 107 117.838 120.201 -2.363 1
1 1276 . 14 1 1 A 108 108 GLU H H 108 8.050 7.854 0.196 1
1 1277 . 14 1 1 A 108 108 GLU HA H 108 4.638 4.754 -0.116 1
1 1282 . 14 1 1 A 108 108 GLU C C 108 176.463 175.553 0.910 1
1 1283 . 14 1 1 A 108 108 GLU CA C 108 55.693 54.607 1.086 1
1 1284 . 14 1 1 A 108 108 GLU CB C 108 32.643 34.270 -1.627 1
1 1286 . 14 1 1 A 108 108 GLU N N 108 118.542 115.381 3.161 1
1 1287 . 14 1 1 A 109 109 MET H H 109 8.431 8.571 -0.140 1
1 1288 . 14 1 1 A 109 109 MET HA H 109 5.236 5.036 0.200 1
1 1296 . 14 1 1 A 109 109 MET C C 109 176.443 175.362 1.081 1
1 1297 . 14 1 1 A 109 109 MET CA C 109 54.801 54.052 0.749 1
1 1298 . 14 1 1 A 109 109 MET CB C 109 33.115 34.187 -1.072 1
1 1301 . 14 1 1 A 109 109 MET N N 109 121.401 119.671 1.730 1
1 1302 . 14 1 1 A 110 110 ARG H H 110 9.166 8.817 0.349 1
1 1303 . 14 1 1 A 110 110 ARG HA H 110 4.771 4.883 -0.112 1
1 1311 . 14 1 1 A 110 110 ARG C C 110 177.215 175.866 1.349 1
1 1312 . 14 1 1 A 110 110 ARG CA C 110 54.826 53.925 0.901 1
1 1313 . 14 1 1 A 110 110 ARG CB C 110 33.474 34.193 -0.719 1
1 1316 . 14 1 1 A 110 110 ARG N N 110 123.271 119.269 4.002 1
1 1318 . 14 1 1 A 111 111 LEU H H 111 8.874 8.529 0.345 1
1 1319 . 14 1 1 A 111 111 LEU HA H 111 4.335 4.413 -0.078 1
1 1329 . 14 1 1 A 111 111 LEU C C 111 175.976 176.455 -0.479 1
1 1330 . 14 1 1 A 111 111 LEU CA C 111 55.633 54.845 0.788 1
1 1331 . 14 1 1 A 111 111 LEU CB C 111 42.413 43.034 -0.621 1
1 1335 . 14 1 1 A 111 111 LEU N N 111 125.212 120.605 4.607 1
1 1336 . 14 1 1 A 112 112 LEU HA H 112 4.432 4.387 0.045 1
1 1346 . 14 1 1 A 112 112 LEU C C 112 173.898 176.578 -2.680 1
1 1347 . 14 1 1 A 112 112 LEU CA C 112 56.230 56.001 0.229 1
1 1348 . 14 1 1 A 112 112 LEU CB C 112 42.688 42.903 -0.215 1
1 1352 . 14 1 1 A 113 113 SER H H 113 7.895 7.384 0.511 1
1 1353 . 14 1 1 A 113 113 SER HA H 113 4.509 4.866 -0.357 1
1 1356 . 14 1 1 A 113 113 SER C C 113 180.240 172.376 7.864 1
1 1357 . 14 1 1 A 113 113 SER CA C 113 58.129 57.630 0.499 1
1 1358 . 14 1 1 A 113 113 SER CB C 113 64.473 67.416 -2.943 1
1 1359 . 14 1 1 A 113 113 SER N N 113 110.894 110.374 0.520 1
1 1360 . 14 1 1 A 114 114 LEU H H 114 8.151 8.696 -0.545 1
1 1361 . 14 1 1 A 114 114 LEU HA H 114 5.086 5.212 -0.126 1
1 1371 . 14 1 1 A 114 114 LEU C C 114 175.777 175.940 -0.163 1
1 1372 . 14 1 1 A 114 114 LEU CA C 114 53.830 53.718 0.112 1
1 1373 . 14 1 1 A 114 114 LEU CB C 114 46.471 46.600 -0.129 1
1 1377 . 14 1 1 A 114 114 LEU N N 114 120.671 122.318 -1.647 1
1 1378 . 14 1 1 A 115 115 GLU H H 115 8.666 8.850 -0.184 1
1 1379 . 14 1 1 A 115 115 GLU HA H 115 4.823 5.232 -0.409 1
1 1384 . 14 1 1 A 115 115 GLU C C 115 175.727 175.138 0.589 1
1 1385 . 14 1 1 A 115 115 GLU CA C 115 55.127 54.438 0.689 1
1 1386 . 14 1 1 A 115 115 GLU CB C 115 31.063 33.894 -2.831 1
1 1388 . 14 1 1 A 115 115 GLU N N 115 122.105 119.673 2.432 1
1 1389 . 14 1 1 A 116 116 MET H H 116 9.159 9.015 0.144 1
1 1390 . 14 1 1 A 116 116 MET HA H 116 4.989 5.202 -0.213 1
1 1398 . 14 1 1 A 116 116 MET C C 116 177.447 174.778 2.669 1
1 1399 . 14 1 1 A 116 116 MET CA C 116 54.669 54.572 0.097 1
1 1400 . 14 1 1 A 116 116 MET CB C 116 36.107 35.754 0.353 1
1 1403 . 14 1 1 A 116 116 MET N N 116 123.947 122.895 1.052 1
1 1404 . 14 1 1 A 117 117 LEU H H 117 8.573 8.634 -0.061 1
1 1405 . 14 1 1 A 117 117 LEU HA H 117 4.670 4.395 0.275 1
1 1412 . 14 1 1 A 117 117 LEU C C 117 175.990 178.101 -2.111 1
1 1413 . 14 1 1 A 117 117 LEU CA C 117 54.549 55.821 -1.272 1
1 1414 . 14 1 1 A 117 117 LEU CB C 117 44.045 42.695 1.350 1
1 1417 . 14 1 1 A 117 117 LEU N N 117 122.478 126.340 -3.862 1
1 1418 . 14 1 1 A 118 118 ALA H H 118 8.714 8.815 -0.101 1
1 1419 . 14 1 1 A 118 118 ALA HA H 118 4.604 4.105 0.499 1
1 1423 . 14 1 1 A 118 118 ALA C C 118 175.279 177.445 -2.166 1
1 1424 . 14 1 1 A 118 118 ALA CA C 118 52.155 54.348 -2.193 1
1 1425 . 14 1 1 A 118 118 ALA CB C 118 20.444 18.676 1.768 1
1 1426 . 14 1 1 A 118 118 ALA N N 118 127.701 129.494 -1.793 1
1 4 . 15 1 1 A 2 2 SER HA H 2 4.544 4.716 -0.172 1
1 7 . 15 1 1 A 2 2 SER CA C 2 58.424 57.369 1.055 1
1 8 . 15 1 1 A 2 2 SER CB C 2 64.017 64.530 -0.513 1
1 13 . 15 1 1 A 4 4 HIS HA H 4 4.504 4.896 -0.392 1
1 17 . 15 1 1 A 4 4 HIS C C 4 175.043 175.635 -0.592 1
1 18 . 15 1 1 A 4 4 HIS CA C 4 58.574 55.660 2.914 1
1 19 . 15 1 1 A 4 4 HIS CB C 4 30.859 31.551 -0.692 1
1 20 . 15 1 1 A 5 5 GLU H H 5 10.002 7.994 2.008 1
1 21 . 15 1 1 A 5 5 GLU HA H 5 3.831 3.857 -0.026 1
1 26 . 15 1 1 A 5 5 GLU C C 5 173.758 178.106 -4.348 1
1 27 . 15 1 1 A 5 5 GLU CA C 5 61.822 59.399 2.423 1
1 28 . 15 1 1 A 5 5 GLU CB C 5 28.884 29.330 -0.446 1
1 30 . 15 1 1 A 5 5 GLU N N 5 120.850 122.294 -1.444 1
1 31 . 15 1 1 A 6 6 TYR H H 6 8.163 7.677 0.486 1
1 32 . 15 1 1 A 6 6 TYR HA H 6 4.066 4.562 -0.496 1
1 39 . 15 1 1 A 6 6 TYR C C 6 173.754 177.088 -3.334 1
1 40 . 15 1 1 A 6 6 TYR CA C 6 61.029 59.520 1.509 1
1 41 . 15 1 1 A 6 6 TYR CB C 6 37.391 37.248 0.143 1
1 44 . 15 1 1 A 6 6 TYR N N 6 117.171 119.147 -1.976 1
1 45 . 15 1 1 A 7 7 SER H H 7 7.929 8.160 -0.231 1
1 46 . 15 1 1 A 7 7 SER HA H 7 4.265 4.142 0.123 1
1 49 . 15 1 1 A 7 7 SER C C 7 174.434 177.426 -2.992 1
1 50 . 15 1 1 A 7 7 SER CA C 7 61.471 61.849 -0.378 1
1 51 . 15 1 1 A 7 7 SER CB C 7 62.686 63.202 -0.516 1
1 52 . 15 1 1 A 7 7 SER N N 7 116.417 117.110 -0.693 1
1 53 . 15 1 1 A 8 8 VAL H H 8 8.088 8.050 0.038 1
1 54 . 15 1 1 A 8 8 VAL HA H 8 3.795 3.744 0.051 1
1 62 . 15 1 1 A 8 8 VAL C C 8 172.652 178.349 -5.697 1
1 63 . 15 1 1 A 8 8 VAL CA C 8 66.036 67.028 -0.992 1
1 64 . 15 1 1 A 8 8 VAL CB C 8 31.811 31.573 0.238 1
1 67 . 15 1 1 A 8 8 VAL N N 8 122.514 120.492 2.022 1
1 68 . 15 1 1 A 9 9 VAL H H 9 8.255 8.393 -0.138 1
1 69 . 15 1 1 A 9 9 VAL HA H 9 3.539 3.732 -0.193 1
1 77 . 15 1 1 A 9 9 VAL C C 9 174.142 178.102 -3.960 1
1 78 . 15 1 1 A 9 9 VAL CA C 9 67.201 67.063 0.138 1
1 79 . 15 1 1 A 9 9 VAL CB C 9 30.859 31.569 -0.710 1
1 82 . 15 1 1 A 9 9 VAL N N 9 120.829 120.856 -0.027 1
1 83 . 15 1 1 A 10 10 SER H H 10 8.179 8.215 -0.036 1
1 84 . 15 1 1 A 10 10 SER HA H 10 3.726 3.877 -0.151 1
1 87 . 15 1 1 A 10 10 SER C C 10 173.669 177.284 -3.615 1
1 88 . 15 1 1 A 10 10 SER CA C 10 62.397 61.486 0.911 1
1 89 . 15 1 1 A 10 10 SER CB C 10 62.470 62.734 -0.264 1
1 90 . 15 1 1 A 10 10 SER N N 10 115.937 115.343 0.594 1
1 91 . 15 1 1 A 11 11 SER H H 11 7.860 7.941 -0.081 1
1 92 . 15 1 1 A 11 11 SER HA H 11 4.312 4.173 0.139 1
1 95 . 15 1 1 A 11 11 SER C C 11 174.888 177.430 -2.542 1
1 96 . 15 1 1 A 11 11 SER CA C 11 61.863 61.661 0.202 1
1 97 . 15 1 1 A 11 11 SER CB C 11 62.638 62.968 -0.330 1
1 98 . 15 1 1 A 11 11 SER N N 11 117.940 115.633 2.307 1
1 99 . 15 1 1 A 12 12 LEU H H 12 8.197 8.385 -0.188 1
1 100 . 15 1 1 A 12 12 LEU HA H 12 4.331 4.089 0.242 1
1 110 . 15 1 1 A 12 12 LEU C C 12 172.791 179.173 -6.382 1
1 111 . 15 1 1 A 12 12 LEU CA C 12 58.035 58.323 -0.288 1
1 112 . 15 1 1 A 12 12 LEU CB C 12 42.062 42.250 -0.188 1
1 116 . 15 1 1 A 12 12 LEU N N 12 125.411 121.961 3.450 1
1 117 . 15 1 1 A 13 13 ILE H H 13 8.689 8.219 0.470 1
1 118 . 15 1 1 A 13 13 ILE HA H 13 3.654 3.645 0.009 1
1 128 . 15 1 1 A 13 13 ILE C C 13 173.945 177.875 -3.930 1
1 129 . 15 1 1 A 13 13 ILE CA C 13 65.287 65.945 -0.658 1
1 130 . 15 1 1 A 13 13 ILE CB C 13 36.843 37.585 -0.742 1
1 134 . 15 1 1 A 13 13 ILE N N 13 121.352 119.373 1.979 1
1 135 . 15 1 1 A 14 14 ALA H H 14 7.692 8.312 -0.620 1
1 136 . 15 1 1 A 14 14 ALA HA H 14 4.218 4.119 0.099 1
1 140 . 15 1 1 A 14 14 ALA C C 14 170.805 179.762 -8.957 1
1 141 . 15 1 1 A 14 14 ALA CA C 14 55.484 55.306 0.178 1
1 142 . 15 1 1 A 14 14 ALA CB C 14 17.698 18.167 -0.469 1
1 143 . 15 1 1 A 14 14 ALA N N 14 121.374 122.635 -1.261 1
1 144 . 15 1 1 A 15 15 LEU H H 15 8.040 8.512 -0.472 1
1 145 . 15 1 1 A 15 15 LEU HA H 15 4.253 3.683 0.570 1
1 152 . 15 1 1 A 15 15 LEU C C 15 171.818 179.052 -7.234 1
1 153 . 15 1 1 A 15 15 LEU CA C 15 58.208 58.059 0.149 1
1 154 . 15 1 1 A 15 15 LEU CB C 15 42.286 41.885 0.401 1
1 157 . 15 1 1 A 15 15 LEU N N 15 121.328 118.221 3.107 1
1 158 . 15 1 1 A 16 16 CYS H H 16 8.587 8.570 0.017 1
1 159 . 15 1 1 A 16 16 CYS HA H 16 3.954 4.165 -0.211 1
1 162 . 15 1 1 A 16 16 CYS C C 16 174.494 176.877 -2.383 1
1 163 . 15 1 1 A 16 16 CYS CA C 16 64.933 63.485 1.448 1
1 164 . 15 1 1 A 16 16 CYS CB C 16 26.960 26.828 0.132 1
1 165 . 15 1 1 A 16 16 CYS N N 16 118.908 116.548 2.360 1
1 166 . 15 1 1 A 17 17 GLU H H 17 8.576 8.267 0.309 1
1 167 . 15 1 1 A 17 17 GLU HA H 17 3.806 3.974 -0.168 1
1 172 . 15 1 1 A 17 17 GLU C C 17 172.225 178.667 -6.442 1
1 173 . 15 1 1 A 17 17 GLU CA C 17 60.306 59.910 0.396 1
1 174 . 15 1 1 A 17 17 GLU CB C 17 29.130 28.977 0.153 1
1 176 . 15 1 1 A 17 17 GLU N N 17 118.419 121.098 -2.679 1
1 177 . 15 1 1 A 18 18 GLU H H 18 8.156 8.198 -0.042 1
1 178 . 15 1 1 A 18 18 GLU HA H 18 4.115 3.987 0.128 1
1 183 . 15 1 1 A 18 18 GLU C C 18 172.241 179.286 -7.045 1
1 184 . 15 1 1 A 18 18 GLU CA C 18 59.507 59.468 0.039 1
1 185 . 15 1 1 A 18 18 GLU CB C 18 29.335 29.325 0.010 1
1 187 . 15 1 1 A 18 18 GLU N N 18 121.603 119.208 2.395 1
1 188 . 15 1 1 A 19 19 HIS H H 19 8.379 8.194 0.185 1
1 189 . 15 1 1 A 19 19 HIS HA H 19 4.174 4.386 -0.212 1
1 194 . 15 1 1 A 19 19 HIS C C 19 172.511 177.915 -5.404 1
1 195 . 15 1 1 A 19 19 HIS CA C 19 60.525 59.659 0.866 1
1 196 . 15 1 1 A 19 19 HIS CB C 19 31.354 29.479 1.875 1
1 198 . 15 1 1 A 19 19 HIS N N 19 119.634 118.982 0.652 1
1 201 . 15 1 1 A 20 20 ALA H H 20 8.568 8.408 0.160 1
1 202 . 15 1 1 A 20 20 ALA HA H 20 4.143 3.891 0.252 1
1 206 . 15 1 1 A 20 20 ALA C C 20 172.155 179.349 -7.194 1
1 207 . 15 1 1 A 20 20 ALA CA C 20 55.716 55.185 0.531 1
1 208 . 15 1 1 A 20 20 ALA CB C 20 17.682 18.322 -0.640 1
1 209 . 15 1 1 A 20 20 ALA N N 20 122.453 122.994 -0.541 1
1 210 . 15 1 1 A 21 21 LYS H H 21 8.055 7.800 0.255 1
1 211 . 15 1 1 A 21 21 LYS HA H 21 4.128 3.511 0.617 1
1 220 . 15 1 1 A 21 21 LYS C C 21 170.753 178.645 -7.892 1
1 221 . 15 1 1 A 21 21 LYS CA C 21 59.469 59.074 0.395 1
1 222 . 15 1 1 A 21 21 LYS CB C 21 32.369 31.797 0.572 1
1 226 . 15 1 1 A 21 21 LYS N N 21 118.604 116.192 2.412 1
1 227 . 15 1 1 A 22 22 LYS H H 22 8.092 7.617 0.475 1
1 228 . 15 1 1 A 22 22 LYS HA H 22 4.100 4.056 0.044 1
1 237 . 15 1 1 A 22 22 LYS C C 22 174.300 178.054 -3.754 1
1 238 . 15 1 1 A 22 22 LYS CA C 22 58.920 59.381 -0.461 1
1 239 . 15 1 1 A 22 22 LYS CB C 22 32.406 32.343 0.063 1
1 243 . 15 1 1 A 22 22 LYS N N 22 119.468 119.695 -0.227 1
1 244 . 15 1 1 A 23 23 ASN H H 23 7.461 8.009 -0.548 1
1 245 . 15 1 1 A 23 23 ASN HA H 23 4.710 4.788 -0.078 1
1 248 . 15 1 1 A 23 23 ASN C C 23 178.526 174.798 3.728 1
1 249 . 15 1 1 A 23 23 ASN CA C 23 53.514 53.440 0.074 1
1 250 . 15 1 1 A 23 23 ASN CB C 23 40.124 38.976 1.148 1
1 251 . 15 1 1 A 23 23 ASN N N 23 115.166 116.958 -1.792 1
1 252 . 15 1 1 A 24 24 GLN H H 24 7.879 7.868 0.011 1
1 253 . 15 1 1 A 24 24 GLN HA H 24 3.927 3.958 -0.031 1
1 260 . 15 1 1 A 24 24 GLN C C 24 177.284 175.569 1.715 1
1 261 . 15 1 1 A 24 24 GLN CA C 24 57.083 56.853 0.230 1
1 262 . 15 1 1 A 24 24 GLN CB C 24 26.400 25.842 0.558 1
1 264 . 15 1 1 A 24 24 GLN N N 24 116.046 116.453 -0.407 1
1 266 . 15 1 1 A 25 25 ALA H H 25 8.491 8.196 0.295 1
1 267 . 15 1 1 A 25 25 ALA HA H 25 4.600 4.265 0.335 1
1 271 . 15 1 1 A 25 25 ALA C C 25 174.729 177.640 -2.911 1
1 272 . 15 1 1 A 25 25 ALA CA C 25 51.416 54.432 -3.016 1
1 273 . 15 1 1 A 25 25 ALA CB C 25 21.350 19.428 1.922 1
1 274 . 15 1 1 A 25 25 ALA N N 25 120.372 120.489 -0.117 1
1 275 . 15 1 1 A 26 26 HIS H H 26 8.476 7.596 0.880 1
1 276 . 15 1 1 A 26 26 HIS HA H 26 4.736 4.189 0.547 1
1 280 . 15 1 1 A 26 26 HIS C C 26 176.751 173.863 2.888 1
1 281 . 15 1 1 A 26 26 HIS CA C 26 56.211 56.912 -0.701 1
1 282 . 15 1 1 A 26 26 HIS CB C 26 31.838 26.891 4.947 1
1 284 . 15 1 1 A 26 26 HIS N N 26 117.648 112.762 4.886 1
1 285 . 15 1 1 A 27 27 LYS H H 27 7.540 7.562 -0.022 1
1 286 . 15 1 1 A 27 27 LYS HA H 27 4.766 4.548 0.218 1
1 295 . 15 1 1 A 27 27 LYS C C 27 176.918 174.669 2.249 1
1 296 . 15 1 1 A 27 27 LYS CA C 27 55.877 55.346 0.531 1
1 297 . 15 1 1 A 27 27 LYS CB C 27 36.796 35.834 0.962 1
1 301 . 15 1 1 A 27 27 LYS N N 27 116.451 117.231 -0.780 1
1 302 . 15 1 1 A 28 28 ILE H H 28 8.320 8.626 -0.306 1
1 303 . 15 1 1 A 28 28 ILE HA H 28 4.319 4.929 -0.610 1
1 310 . 15 1 1 A 28 28 ILE C C 28 176.921 175.703 1.218 1
1 311 . 15 1 1 A 28 28 ILE CA C 28 60.552 59.871 0.681 1
1 312 . 15 1 1 A 28 28 ILE CB C 28 38.843 41.938 -3.095 1
1 313 . 15 1 1 A 28 28 ILE N N 28 123.140 121.102 2.038 1
1 314 . 15 1 1 A 29 29 GLU H H 29 9.001 9.465 -0.464 1
1 315 . 15 1 1 A 29 29 GLU HA H 29 4.446 4.540 -0.094 1
1 320 . 15 1 1 A 29 29 GLU C C 29 174.406 175.683 -1.277 1
1 321 . 15 1 1 A 29 29 GLU CA C 29 57.363 57.942 -0.579 1
1 322 . 15 1 1 A 29 29 GLU CB C 29 31.761 32.442 -0.681 1
1 324 . 15 1 1 A 29 29 GLU N N 29 125.872 125.239 0.633 1
1 325 . 15 1 1 A 30 30 ARG H H 30 7.654 7.549 0.105 1
1 326 . 15 1 1 A 30 30 ARG HA H 30 5.282 4.956 0.326 1
1 334 . 15 1 1 A 30 30 ARG C C 30 178.750 174.308 4.442 1
1 335 . 15 1 1 A 30 30 ARG CA C 30 55.558 55.590 -0.032 1
1 336 . 15 1 1 A 30 30 ARG CB C 30 34.774 33.480 1.294 1
1 338 . 15 1 1 A 30 30 ARG N N 30 119.436 118.843 0.593 1
1 340 . 15 1 1 A 31 31 VAL H H 31 9.234 9.012 0.222 1
1 341 . 15 1 1 A 31 31 VAL HA H 31 4.397 4.741 -0.344 1
1 349 . 15 1 1 A 31 31 VAL C C 31 178.662 174.972 3.690 1
1 350 . 15 1 1 A 31 31 VAL CA C 31 60.882 61.126 -0.244 1
1 351 . 15 1 1 A 31 31 VAL CB C 31 34.494 32.788 1.706 1
1 354 . 15 1 1 A 31 31 VAL N N 31 127.428 123.445 3.983 1
1 355 . 15 1 1 A 32 32 VAL H H 32 8.626 9.030 -0.404 1
1 356 . 15 1 1 A 32 32 VAL HA H 32 5.039 4.538 0.501 1
1 364 . 15 1 1 A 32 32 VAL C C 32 175.519 175.289 0.230 1
1 365 . 15 1 1 A 32 32 VAL CA C 32 60.917 62.441 -1.524 1
1 366 . 15 1 1 A 32 32 VAL CB C 32 31.892 31.622 0.270 1
1 368 . 15 1 1 A 32 32 VAL N N 32 126.581 128.124 -1.543 1
1 369 . 15 1 1 A 33 33 VAL H H 33 8.802 9.196 -0.394 1
1 370 . 15 1 1 A 33 33 VAL HA H 33 4.917 4.509 0.408 1
1 378 . 15 1 1 A 33 33 VAL C C 33 178.038 174.741 3.297 1
1 379 . 15 1 1 A 33 33 VAL CA C 33 58.975 60.706 -1.731 1
1 380 . 15 1 1 A 33 33 VAL CB C 33 35.109 35.320 -0.211 1
1 383 . 15 1 1 A 33 33 VAL N N 33 122.994 127.492 -4.498 1
1 384 . 15 1 1 A 34 34 GLY H H 34 9.535 9.161 0.374 1
1 385 . 15 1 1 A 34 34 GLY HA2 H 34 5.187 4.109 1.078 1
1 386 . 15 1 1 A 34 34 GLY HA3 H 34 3.404 4.113 -0.709 1
1 387 . 15 1 1 A 34 34 GLY C C 34 178.060 172.272 5.788 1
1 388 . 15 1 1 A 34 34 GLY CA C 34 44.108 44.737 -0.629 1
1 389 . 15 1 1 A 34 34 GLY N N 34 112.269 115.002 -2.733 1
1 390 . 15 1 1 A 35 35 ILE H H 35 8.761 9.649 -0.888 1
1 391 . 15 1 1 A 35 35 ILE HA H 35 4.340 4.631 -0.291 1
1 401 . 15 1 1 A 35 35 ILE C C 35 174.823 176.182 -1.359 1
1 402 . 15 1 1 A 35 35 ILE CA C 35 60.287 59.531 0.756 1
1 403 . 15 1 1 A 35 35 ILE CB C 35 39.357 39.842 -0.485 1
1 407 . 15 1 1 A 35 35 ILE N N 35 123.848 125.848 -2.000 1
1 408 . 15 1 1 A 36 36 GLY H H 36 8.439 8.624 -0.185 1
1 409 . 15 1 1 A 36 36 GLY HA2 H 36 3.321 4.103 -0.782 1
1 410 . 15 1 1 A 36 36 GLY HA3 H 36 4.444 4.107 0.337 1
1 411 . 15 1 1 A 36 36 GLY C C 36 175.743 174.803 0.940 1
1 412 . 15 1 1 A 36 36 GLY CA C 36 46.389 45.702 0.687 1
1 413 . 15 1 1 A 36 36 GLY N N 36 117.219 114.663 2.556 1
1 414 . 15 1 1 A 37 37 GLU H H 37 8.756 8.984 -0.228 1
1 415 . 15 1 1 A 37 37 GLU HA H 37 4.277 4.114 0.163 1
1 420 . 15 1 1 A 37 37 GLU C C 37 174.413 176.814 -2.401 1
1 421 . 15 1 1 A 37 37 GLU CA C 37 58.568 58.345 0.223 1
1 422 . 15 1 1 A 37 37 GLU CB C 37 29.809 28.969 0.840 1
1 424 . 15 1 1 A 37 37 GLU N N 37 124.260 120.755 3.505 1
1 425 . 15 1 1 A 38 38 ARG H H 38 8.483 7.798 0.685 1
1 426 . 15 1 1 A 38 38 ARG HA H 38 4.594 4.575 0.019 1
1 434 . 15 1 1 A 38 38 ARG C C 38 175.250 176.767 -1.517 1
1 435 . 15 1 1 A 38 38 ARG CA C 38 54.916 55.906 -0.990 1
1 436 . 15 1 1 A 38 38 ARG CB C 38 29.706 30.641 -0.935 1
1 439 . 15 1 1 A 38 38 ARG N N 38 117.248 119.757 -2.509 1
1 441 . 15 1 1 A 39 39 SER H H 39 7.630 7.713 -0.083 1
1 442 . 15 1 1 A 39 39 SER HA H 39 4.139 4.221 -0.082 1
1 445 . 15 1 1 A 39 39 SER C C 39 176.694 174.768 1.926 1
1 446 . 15 1 1 A 39 39 SER CA C 39 59.524 60.903 -1.379 1
1 447 . 15 1 1 A 39 39 SER CB C 39 64.248 64.137 0.111 1
1 448 . 15 1 1 A 39 39 SER N N 39 115.086 114.612 0.474 1
1 449 . 15 1 1 A 40 40 ALA H H 40 8.667 7.991 0.676 1
1 450 . 15 1 1 A 40 40 ALA HA H 40 4.267 3.952 0.315 1
1 454 . 15 1 1 A 40 40 ALA C C 40 174.406 175.823 -1.417 1
1 455 . 15 1 1 A 40 40 ALA CA C 40 52.641 53.533 -0.892 1
1 456 . 15 1 1 A 40 40 ALA CB C 40 17.976 17.852 0.124 1
1 457 . 15 1 1 A 40 40 ALA N N 40 126.133 121.204 4.929 1
1 458 . 15 1 1 A 41 41 MET H H 41 7.793 7.641 0.152 1
1 459 . 15 1 1 A 41 41 MET HA H 41 4.389 4.863 -0.474 1
1 467 . 15 1 1 A 41 41 MET C C 41 176.689 175.261 1.428 1
1 468 . 15 1 1 A 41 41 MET CA C 41 55.965 54.066 1.899 1
1 469 . 15 1 1 A 41 41 MET CB C 41 34.761 34.090 0.671 1
1 472 . 15 1 1 A 41 41 MET N N 41 117.758 117.028 0.730 1
1 473 . 15 1 1 A 42 42 ASP H H 42 9.667 9.015 0.652 1
1 474 . 15 1 1 A 42 42 ASP HA H 42 4.706 4.669 0.037 1
1 477 . 15 1 1 A 42 42 ASP C C 42 174.559 177.524 -2.965 1
1 478 . 15 1 1 A 42 42 ASP CA C 42 53.363 54.539 -1.176 1
1 479 . 15 1 1 A 42 42 ASP CB C 42 41.740 40.830 0.910 1
1 480 . 15 1 1 A 42 42 ASP N N 42 125.565 121.548 4.017 1
1 481 . 15 1 1 A 43 43 LYS H H 43 8.928 8.657 0.271 1
1 482 . 15 1 1 A 43 43 LYS HA H 43 3.752 4.171 -0.419 1
1 491 . 15 1 1 A 43 43 LYS C C 43 173.737 178.580 -4.843 1
1 492 . 15 1 1 A 43 43 LYS CA C 43 60.966 59.282 1.684 1
1 493 . 15 1 1 A 43 43 LYS CB C 43 32.585 32.059 0.526 1
1 497 . 15 1 1 A 43 43 LYS N N 43 127.256 125.455 1.801 1
1 498 . 15 1 1 A 44 44 SER H H 44 8.327 7.806 0.521 1
1 499 . 15 1 1 A 44 44 SER HA H 44 4.009 4.305 -0.296 1
1 502 . 15 1 1 A 44 44 SER C C 44 174.032 177.522 -3.490 1
1 503 . 15 1 1 A 44 44 SER CA C 44 62.461 61.286 1.175 1
1 504 . 15 1 1 A 44 44 SER CB C 44 62.281 62.970 -0.689 1
1 505 . 15 1 1 A 44 44 SER N N 44 114.797 115.213 -0.416 1
1 506 . 15 1 1 A 45 45 LEU H H 45 7.878 8.113 -0.235 1
1 507 . 15 1 1 A 45 45 LEU HA H 45 4.254 4.114 0.140 1
1 517 . 15 1 1 A 45 45 LEU C C 45 172.915 178.850 -5.935 1
1 518 . 15 1 1 A 45 45 LEU CA C 45 57.128 58.372 -1.244 1
1 519 . 15 1 1 A 45 45 LEU CB C 45 41.738 41.962 -0.224 1
1 523 . 15 1 1 A 45 45 LEU N N 45 124.570 122.184 2.386 1
1 524 . 15 1 1 A 46 46 PHE H H 46 8.343 8.464 -0.121 1
1 525 . 15 1 1 A 46 46 PHE HA H 46 3.882 4.267 -0.385 1
1 532 . 15 1 1 A 46 46 PHE C C 46 175.104 177.021 -1.917 1
1 533 . 15 1 1 A 46 46 PHE CA C 46 61.820 61.606 0.214 1
1 534 . 15 1 1 A 46 46 PHE CB C 46 40.047 39.220 0.827 1
1 537 . 15 1 1 A 46 46 PHE N N 46 121.059 119.403 1.656 1
1 538 . 15 1 1 A 47 47 VAL H H 47 8.370 8.245 0.125 1
1 539 . 15 1 1 A 47 47 VAL HA H 47 3.466 3.509 -0.043 1
1 547 . 15 1 1 A 47 47 VAL C C 47 173.353 177.711 -4.358 1
1 548 . 15 1 1 A 47 47 VAL CA C 47 67.220 64.577 2.643 1
1 549 . 15 1 1 A 47 47 VAL CB C 47 31.927 31.309 0.618 1
1 552 . 15 1 1 A 47 47 VAL N N 47 118.023 119.285 -1.262 1
1 553 . 15 1 1 A 48 48 SER H H 48 7.967 8.200 -0.233 1
1 554 . 15 1 1 A 48 48 SER HA H 48 4.268 4.066 0.202 1
1 557 . 15 1 1 A 48 48 SER C C 48 174.187 177.092 -2.905 1
1 558 . 15 1 1 A 48 48 SER CA C 48 61.789 61.541 0.248 1
1 559 . 15 1 1 A 48 48 SER CB C 48 62.761 63.072 -0.311 1
1 560 . 15 1 1 A 48 48 SER N N 48 114.372 116.927 -2.555 1
1 561 . 15 1 1 A 49 49 ALA H H 49 8.489 7.758 0.731 1
1 562 . 15 1 1 A 49 49 ALA HA H 49 3.931 4.172 -0.241 1
1 566 . 15 1 1 A 49 49 ALA C C 49 172.626 179.425 -6.799 1
1 567 . 15 1 1 A 49 49 ALA CA C 49 55.067 55.003 0.064 1
1 568 . 15 1 1 A 49 49 ALA CB C 49 17.587 18.596 -1.009 1
1 569 . 15 1 1 A 49 49 ALA N N 49 124.199 123.374 0.825 1
1 570 . 15 1 1 A 50 50 PHE H H 50 8.510 8.304 0.206 1
1 571 . 15 1 1 A 50 50 PHE HA H 50 3.763 4.069 -0.306 1
1 578 . 15 1 1 A 50 50 PHE C C 50 174.923 177.794 -2.871 1
1 579 . 15 1 1 A 50 50 PHE CA C 50 63.098 61.254 1.844 1
1 580 . 15 1 1 A 50 50 PHE CB C 50 39.465 38.995 0.470 1
1 583 . 15 1 1 A 50 50 PHE N N 50 120.967 119.604 1.363 1
1 584 . 15 1 1 A 51 51 GLU H H 51 8.561 8.662 -0.101 1
1 585 . 15 1 1 A 51 51 GLU HA H 51 3.717 3.868 -0.151 1
1 590 . 15 1 1 A 51 51 GLU C C 51 173.002 179.212 -6.210 1
1 591 . 15 1 1 A 51 51 GLU CA C 51 59.750 59.101 0.649 1
1 592 . 15 1 1 A 51 51 GLU CB C 51 29.330 29.274 0.056 1
1 594 . 15 1 1 A 51 51 GLU N N 51 116.915 117.989 -1.074 1
1 595 . 15 1 1 A 52 52 THR H H 52 7.759 7.918 -0.159 1
1 596 . 15 1 1 A 52 52 THR HA H 52 4.090 3.760 0.330 1
1 601 . 15 1 1 A 52 52 THR C C 52 174.897 176.079 -1.182 1
1 602 . 15 1 1 A 52 52 THR CA C 52 65.899 66.523 -0.624 1
1 603 . 15 1 1 A 52 52 THR CB C 52 69.172 68.409 0.763 1
1 605 . 15 1 1 A 52 52 THR N N 52 114.348 117.556 -3.208 1
1 606 . 15 1 1 A 53 53 PHE H H 53 8.725 8.015 0.710 1
1 607 . 15 1 1 A 53 53 PHE HA H 53 4.335 4.366 -0.031 1
1 614 . 15 1 1 A 53 53 PHE C C 53 172.389 177.944 -5.555 1
1 615 . 15 1 1 A 53 53 PHE CA C 53 60.011 61.728 -1.717 1
1 616 . 15 1 1 A 53 53 PHE CB C 53 38.244 37.653 0.591 1
1 619 . 15 1 1 A 53 53 PHE N N 53 120.493 118.417 2.076 1
1 620 . 15 1 1 A 54 54 ARG H H 54 8.579 8.033 0.546 1
1 621 . 15 1 1 A 54 54 ARG HA H 54 3.626 3.792 -0.166 1
1 625 . 15 1 1 A 54 54 ARG C C 54 175.195 177.945 -2.750 1
1 626 . 15 1 1 A 54 54 ARG CA C 54 59.252 58.620 0.632 1
1 627 . 15 1 1 A 54 54 ARG CB C 54 26.544 29.728 -3.184 1
1 629 . 15 1 1 A 54 54 ARG N N 54 119.132 118.397 0.735 1
1 631 . 15 1 1 A 55 55 GLU H H 55 6.758 8.590 -1.832 1
1 632 . 15 1 1 A 55 55 GLU HA H 55 3.983 3.934 0.049 1
1 637 . 15 1 1 A 55 55 GLU C C 55 174.356 179.662 -5.306 1
1 638 . 15 1 1 A 55 55 GLU CA C 55 58.002 59.485 -1.483 1
1 639 . 15 1 1 A 55 55 GLU CB C 55 29.865 29.111 0.754 1
1 641 . 15 1 1 A 55 55 GLU N N 55 115.466 118.120 -2.654 1
1 642 . 15 1 1 A 56 56 GLU H H 56 7.245 7.583 -0.338 1
1 643 . 15 1 1 A 56 56 GLU HA H 56 4.294 4.120 0.174 1
1 648 . 15 1 1 A 56 56 GLU C C 56 175.946 175.798 0.148 1
1 649 . 15 1 1 A 56 56 GLU CA C 56 55.827 58.564 -2.737 1
1 650 . 15 1 1 A 56 56 GLU CB C 56 30.030 29.738 0.292 1
1 652 . 15 1 1 A 56 56 GLU N N 56 114.653 119.562 -4.909 1
1 653 . 15 1 1 A 57 57 SER H H 57 7.405 7.777 -0.372 1
1 654 . 15 1 1 A 57 57 SER HA H 57 4.707 4.922 -0.215 1
1 657 . 15 1 1 A 57 57 SER C C 57 176.895 174.260 2.635 1
1 658 . 15 1 1 A 57 57 SER CA C 57 55.456 57.485 -2.029 1
1 659 . 15 1 1 A 57 57 SER CB C 57 64.059 65.409 -1.350 1
1 660 . 15 1 1 A 57 57 SER N N 57 114.312 112.385 1.927 1
1 661 . 15 1 1 A 58 58 LEU H H 58 8.819 8.805 0.014 1
1 662 . 15 1 1 A 58 58 LEU HA H 58 4.120 4.047 0.073 1
1 672 . 15 1 1 A 58 58 LEU C C 58 172.006 178.254 -6.248 1
1 673 . 15 1 1 A 58 58 LEU CA C 58 58.438 58.653 -0.215 1
1 674 . 15 1 1 A 58 58 LEU CB C 58 41.839 41.559 0.280 1
1 678 . 15 1 1 A 58 58 LEU N N 58 129.477 129.146 0.331 1
1 679 . 15 1 1 A 59 59 VAL H H 59 7.929 7.941 -0.012 1
1 680 . 15 1 1 A 59 59 VAL HA H 59 4.305 4.008 0.297 1
1 688 . 15 1 1 A 59 59 VAL C C 59 173.624 178.007 -4.383 1
1 689 . 15 1 1 A 59 59 VAL CA C 59 64.028 64.576 -0.548 1
1 690 . 15 1 1 A 59 59 VAL CB C 59 33.135 31.369 1.766 1
1 693 . 15 1 1 A 59 59 VAL N N 59 112.367 114.405 -2.038 1
1 694 . 15 1 1 A 60 60 CYS H H 60 7.786 7.846 -0.060 1
1 695 . 15 1 1 A 60 60 CYS HA H 60 4.589 4.451 0.138 1
1 698 . 15 1 1 A 60 60 CYS C C 60 176.508 176.333 0.175 1
1 699 . 15 1 1 A 60 60 CYS CA C 60 59.907 61.666 -1.759 1
1 700 . 15 1 1 A 60 60 CYS CB C 60 28.211 26.340 1.871 1
1 701 . 15 1 1 A 60 60 CYS N N 60 115.412 120.007 -4.595 1
1 702 . 15 1 1 A 61 61 LYS H H 61 7.415 7.568 -0.153 1
1 703 . 15 1 1 A 61 61 LYS HA H 61 3.820 4.159 -0.339 1
1 712 . 15 1 1 A 61 61 LYS C C 61 175.812 176.508 -0.696 1
1 713 . 15 1 1 A 61 61 LYS CA C 61 60.389 58.106 2.283 1
1 714 . 15 1 1 A 61 61 LYS CB C 61 32.606 31.987 0.619 1
1 718 . 15 1 1 A 61 61 LYS N N 61 120.942 118.699 2.243 1
1 719 . 15 1 1 A 62 62 ASP C C 62 175.254 174.577 0.677 1
1 720 . 15 1 1 A 62 62 ASP CA C 62 55.159 53.104 2.055 1
1 721 . 15 1 1 A 62 62 ASP CB C 62 42.358 41.477 0.881 1
1 722 . 15 1 1 A 64 64 ILE H H 64 7.784 8.807 -1.023 1
1 723 . 15 1 1 A 64 64 ILE HA H 64 4.126 4.733 -0.607 1
1 733 . 15 1 1 A 64 64 ILE C C 64 177.456 174.637 2.819 1
1 734 . 15 1 1 A 64 64 ILE CA C 64 60.516 59.948 0.568 1
1 735 . 15 1 1 A 64 64 ILE CB C 64 39.990 42.355 -2.365 1
1 739 . 15 1 1 A 64 64 ILE N N 64 122.653 119.607 3.046 1
1 740 . 15 1 1 A 65 65 LEU H H 65 8.357 8.568 -0.211 1
1 741 . 15 1 1 A 65 65 LEU HA H 65 4.858 4.221 0.637 1
1 751 . 15 1 1 A 65 65 LEU C C 65 176.625 175.102 1.523 1
1 752 . 15 1 1 A 65 65 LEU CA C 65 53.315 54.906 -1.591 1
1 753 . 15 1 1 A 65 65 LEU CB C 65 43.307 42.963 0.344 1
1 757 . 15 1 1 A 65 65 LEU N N 65 128.311 128.446 -0.135 1
1 758 . 15 1 1 A 66 66 ASP H H 66 9.088 8.602 0.486 1
1 759 . 15 1 1 A 66 66 ASP HA H 66 5.009 4.979 0.030 1
1 762 . 15 1 1 A 66 66 ASP C C 66 177.504 174.585 2.919 1
1 763 . 15 1 1 A 66 66 ASP CA C 66 53.137 53.219 -0.082 1
1 764 . 15 1 1 A 66 66 ASP CB C 66 44.234 41.510 2.724 1
1 765 . 15 1 1 A 66 66 ASP N N 66 129.457 121.469 7.988 1
1 766 . 15 1 1 A 67 67 ILE H H 67 8.240 8.741 -0.501 1
1 767 . 15 1 1 A 67 67 ILE HA H 67 4.759 4.618 0.141 1
1 777 . 15 1 1 A 67 67 ILE C C 67 175.569 175.452 0.117 1
1 778 . 15 1 1 A 67 67 ILE CA C 67 59.640 60.718 -1.078 1
1 779 . 15 1 1 A 67 67 ILE CB C 67 39.948 37.265 2.683 1
1 783 . 15 1 1 A 67 67 ILE N N 67 120.821 125.952 -5.131 1
1 784 . 15 1 1 A 68 68 VAL H H 68 9.310 8.837 0.473 1
1 785 . 15 1 1 A 68 68 VAL HA H 68 4.149 4.097 0.052 1
1 793 . 15 1 1 A 68 68 VAL C C 68 176.697 175.440 1.257 1
1 794 . 15 1 1 A 68 68 VAL CA C 68 60.707 62.492 -1.785 1
1 795 . 15 1 1 A 68 68 VAL CB C 68 34.121 32.295 1.826 1
1 798 . 15 1 1 A 68 68 VAL N N 68 130.182 128.529 1.653 1
1 799 . 15 1 1 A 69 69 ASP H H 69 8.577 8.660 -0.083 1
1 800 . 15 1 1 A 69 69 ASP HA H 69 4.847 4.820 0.027 1
1 803 . 15 1 1 A 69 69 ASP C C 69 175.713 175.560 0.153 1
1 804 . 15 1 1 A 69 69 ASP CA C 69 54.357 54.315 0.042 1
1 805 . 15 1 1 A 69 69 ASP CB C 69 41.353 41.045 0.308 1
1 806 . 15 1 1 A 69 69 ASP N N 69 127.151 128.069 -0.918 1
1 807 . 15 1 1 A 70 70 GLU H H 70 7.857 8.935 -1.078 1
1 808 . 15 1 1 A 70 70 GLU HA H 70 4.563 4.690 -0.127 1
1 813 . 15 1 1 A 70 70 GLU C C 70 176.179 176.548 -0.369 1
1 814 . 15 1 1 A 70 70 GLU CA C 70 56.333 54.758 1.575 1
1 815 . 15 1 1 A 70 70 GLU CB C 70 31.503 31.813 -0.310 1
1 817 . 15 1 1 A 70 70 GLU N N 70 123.503 124.120 -0.617 1
1 818 . 15 1 1 A 71 71 LYS H H 71 8.517 8.516 0.001 1
1 819 . 15 1 1 A 71 71 LYS HA H 71 4.261 4.425 -0.164 1
1 828 . 15 1 1 A 71 71 LYS C C 71 175.084 176.233 -1.149 1
1 829 . 15 1 1 A 71 71 LYS CA C 71 55.210 56.648 -1.438 1
1 830 . 15 1 1 A 71 71 LYS CB C 71 33.019 33.546 -0.527 1
1 834 . 15 1 1 A 71 71 LYS N N 71 124.197 123.004 1.193 1
1 835 . 15 1 1 A 72 72 VAL H H 72 8.612 8.725 -0.113 1
1 836 . 15 1 1 A 72 72 VAL HA H 72 4.277 5.037 -0.760 1
1 844 . 15 1 1 A 72 72 VAL C C 72 176.529 173.621 2.908 1
1 845 . 15 1 1 A 72 72 VAL CA C 72 63.133 58.896 4.237 1
1 846 . 15 1 1 A 72 72 VAL CB C 72 32.188 35.385 -3.197 1
1 849 . 15 1 1 A 72 72 VAL N N 72 119.616 118.833 0.783 1
1 850 . 15 1 1 A 73 73 GLU H H 73 7.750 8.699 -0.949 1
1 851 . 15 1 1 A 73 73 GLU HA H 73 4.469 4.780 -0.311 1
1 856 . 15 1 1 A 73 73 GLU C C 73 178.456 174.256 4.200 1
1 857 . 15 1 1 A 73 73 GLU CA C 73 55.241 54.985 0.256 1
1 858 . 15 1 1 A 73 73 GLU CB C 73 34.536 33.532 1.004 1
1 860 . 15 1 1 A 73 73 GLU N N 73 126.126 120.823 5.303 1
1 861 . 15 1 1 A 74 74 LEU H H 74 8.495 9.211 -0.716 1
1 862 . 15 1 1 A 74 74 LEU HA H 74 5.207 4.770 0.437 1
1 869 . 15 1 1 A 74 74 LEU C C 74 176.827 175.377 1.450 1
1 870 . 15 1 1 A 74 74 LEU CA C 74 52.600 53.659 -1.059 1
1 871 . 15 1 1 A 74 74 LEU CB C 74 45.404 41.914 3.490 1
1 874 . 15 1 1 A 74 74 LEU N N 74 123.821 127.789 -3.968 1
1 875 . 15 1 1 A 75 75 GLU H H 75 8.770 8.558 0.212 1
1 876 . 15 1 1 A 75 75 GLU HA H 75 5.127 4.213 0.914 1
1 881 . 15 1 1 A 75 75 GLU C C 75 176.617 176.029 0.588 1
1 882 . 15 1 1 A 75 75 GLU CA C 75 53.748 56.774 -3.026 1
1 883 . 15 1 1 A 75 75 GLU CB C 75 33.910 30.024 3.886 1
1 885 . 15 1 1 A 75 75 GLU N N 75 118.723 125.369 -6.646 1
1 886 . 15 1 1 A 76 76 CYS H H 76 9.354 8.426 0.928 1
1 887 . 15 1 1 A 76 76 CYS HA H 76 4.665 4.486 0.179 1
1 890 . 15 1 1 A 76 76 CYS C C 76 173.085 175.426 -2.341 1
1 891 . 15 1 1 A 76 76 CYS CA C 76 59.386 58.575 0.811 1
1 892 . 15 1 1 A 76 76 CYS CB C 76 32.476 28.546 3.930 1
1 893 . 15 1 1 A 76 76 CYS N N 76 128.378 124.331 4.047 1
1 894 . 15 1 1 A 77 77 LYS H H 77 9.328 8.732 0.596 1
1 895 . 15 1 1 A 77 77 LYS HA H 77 4.279 4.043 0.236 1
1 904 . 15 1 1 A 77 77 LYS C C 77 174.709 176.854 -2.145 1
1 905 . 15 1 1 A 77 77 LYS CA C 77 56.997 59.264 -2.267 1
1 906 . 15 1 1 A 77 77 LYS CB C 77 31.240 32.473 -1.233 1
1 910 . 15 1 1 A 77 77 LYS N N 77 129.264 125.565 3.699 1
1 911 . 15 1 1 A 78 78 ASP H H 78 9.182 8.267 0.915 1
1 912 . 15 1 1 A 78 78 ASP HA H 78 4.945 4.794 0.151 1
1 915 . 15 1 1 A 78 78 ASP C C 78 173.961 174.479 -0.518 1
1 916 . 15 1 1 A 78 78 ASP CA C 78 56.797 53.123 3.674 1
1 917 . 15 1 1 A 78 78 ASP CB C 78 42.214 41.154 1.060 1
1 918 . 15 1 1 A 78 78 ASP N N 78 122.206 117.905 4.301 1
1 919 . 15 1 1 A 79 79 CYS H H 79 9.871 8.006 1.865 1
1 920 . 15 1 1 A 79 79 CYS HA H 79 5.165 4.823 0.342 1
1 923 . 15 1 1 A 79 79 CYS C C 79 174.253 172.950 1.303 1
1 924 . 15 1 1 A 79 79 CYS CA C 79 59.123 57.705 1.418 1
1 925 . 15 1 1 A 79 79 CYS CB C 79 32.286 30.010 2.276 1
1 926 . 15 1 1 A 79 79 CYS N N 79 124.020 121.393 2.627 1
1 927 . 15 1 1 A 80 80 SER H H 80 7.667 8.473 -0.806 1
1 928 . 15 1 1 A 80 80 SER HA H 80 4.564 4.831 -0.267 1
1 931 . 15 1 1 A 80 80 SER C C 80 178.621 173.647 4.974 1
1 932 . 15 1 1 A 80 80 SER CA C 80 62.038 57.141 4.897 1
1 933 . 15 1 1 A 80 80 SER CB C 80 62.215 64.857 -2.642 1
1 934 . 15 1 1 A 80 80 SER N N 80 115.904 115.613 0.291 1
1 935 . 15 1 1 A 81 81 HIS H H 81 8.916 7.660 1.256 1
1 936 . 15 1 1 A 81 81 HIS HA H 81 4.649 4.929 -0.280 1
1 941 . 15 1 1 A 81 81 HIS C C 81 178.299 173.203 5.096 1
1 942 . 15 1 1 A 81 81 HIS CA C 81 58.348 54.847 3.501 1
1 943 . 15 1 1 A 81 81 HIS CB C 81 33.016 33.495 -0.479 1
1 946 . 15 1 1 A 81 81 HIS N N 81 125.397 120.452 4.945 1
1 949 . 15 1 1 A 82 82 VAL H H 82 7.058 8.218 -1.160 1
1 950 . 15 1 1 A 82 82 VAL HA H 82 5.212 4.835 0.377 1
1 958 . 15 1 1 A 82 82 VAL C C 82 176.161 173.814 2.347 1
1 959 . 15 1 1 A 82 82 VAL CA C 82 60.567 59.256 1.311 1
1 960 . 15 1 1 A 82 82 VAL CB C 82 34.355 35.833 -1.478 1
1 963 . 15 1 1 A 82 82 VAL N N 82 125.314 119.175 6.139 1
1 964 . 15 1 1 A 83 83 PHE H H 83 8.883 8.632 0.251 1
1 965 . 15 1 1 A 83 83 PHE HA H 83 4.842 5.307 -0.465 1
1 972 . 15 1 1 A 83 83 PHE C C 83 179.687 172.812 6.875 1
1 973 . 15 1 1 A 83 83 PHE CA C 83 55.495 55.338 0.157 1
1 974 . 15 1 1 A 83 83 PHE CB C 83 40.651 41.631 -0.980 1
1 978 . 15 1 1 A 83 83 PHE N N 83 122.377 118.649 3.728 1
1 979 . 15 1 1 A 84 84 LYS H H 84 8.658 8.901 -0.243 1
1 980 . 15 1 1 A 84 84 LYS HA H 84 5.001 5.002 -0.001 1
1 989 . 15 1 1 A 84 84 LYS C C 84 176.705 174.891 1.814 1
1 990 . 15 1 1 A 84 84 LYS CA C 84 52.738 53.966 -1.228 1
1 991 . 15 1 1 A 84 84 LYS CB C 84 32.660 34.429 -1.769 1
1 995 . 15 1 1 A 84 84 LYS N N 84 121.116 117.858 3.258 1
1 996 . 15 1 1 A 85 85 PRO HA H 85 4.663 4.838 -0.175 1
1 1003 . 15 1 1 A 85 85 PRO C C 85 174.722 176.102 -1.380 1
1 1004 . 15 1 1 A 85 85 PRO CA C 85 62.633 62.706 -0.073 1
1 1005 . 15 1 1 A 85 85 PRO CB C 85 32.712 32.013 0.699 1
1 1008 . 15 1 1 A 86 86 ASN H H 86 8.983 9.064 -0.081 1
1 1009 . 15 1 1 A 86 86 ASN HA H 86 4.704 4.908 -0.204 1
1 1014 . 15 1 1 A 86 86 ASN C C 86 176.576 174.927 1.649 1
1 1015 . 15 1 1 A 86 86 ASN CA C 86 53.552 54.756 -1.204 1
1 1016 . 15 1 1 A 86 86 ASN CB C 86 39.208 40.351 -1.143 1
1 1017 . 15 1 1 A 86 86 ASN N N 86 119.549 120.100 -0.551 1
1 1019 . 15 1 1 A 87 87 ALA H H 87 8.122 7.845 0.277 1
1 1020 . 15 1 1 A 87 87 ALA HA H 87 4.369 4.352 0.017 1
1 1024 . 15 1 1 A 87 87 ALA C C 87 174.154 177.435 -3.281 1
1 1025 . 15 1 1 A 87 87 ALA CA C 87 52.560 52.522 0.038 1
1 1026 . 15 1 1 A 87 87 ALA CB C 87 19.660 20.007 -0.347 1
1 1027 . 15 1 1 A 87 87 ALA N N 87 122.483 121.103 1.380 1
1 1028 . 15 1 1 A 88 88 LEU H H 88 8.195 8.494 -0.299 1
1 1029 . 15 1 1 A 88 88 LEU HA H 88 4.192 4.482 -0.290 1
1 1039 . 15 1 1 A 88 88 LEU C C 88 174.871 177.774 -2.903 1
1 1040 . 15 1 1 A 88 88 LEU CA C 88 55.691 55.779 -0.088 1
1 1041 . 15 1 1 A 88 88 LEU CB C 88 41.708 42.930 -1.222 1
1 1045 . 15 1 1 A 88 88 LEU N N 88 118.730 116.970 1.760 1
1 1046 . 15 1 1 A 89 89 ASP H H 89 7.902 8.270 -0.368 1
1 1047 . 15 1 1 A 89 89 ASP HA H 89 4.601 4.247 0.354 1
1 1050 . 15 1 1 A 89 89 ASP C C 89 175.940 177.750 -1.810 1
1 1051 . 15 1 1 A 89 89 ASP CA C 89 53.641 57.044 -3.403 1
1 1052 . 15 1 1 A 89 89 ASP CB C 89 40.953 40.635 0.318 1
1 1053 . 15 1 1 A 89 89 ASP N N 89 118.577 120.449 -1.872 1
1 1054 . 15 1 1 A 90 90 TYR H H 90 7.922 7.804 0.118 1
1 1055 . 15 1 1 A 90 90 TYR HA H 90 4.551 4.574 -0.023 1
1 1062 . 15 1 1 A 90 90 TYR C C 90 175.338 177.181 -1.843 1
1 1063 . 15 1 1 A 90 90 TYR CA C 90 57.505 59.035 -1.530 1
1 1064 . 15 1 1 A 90 90 TYR CB C 90 38.147 37.612 0.535 1
1 1067 . 15 1 1 A 90 90 TYR N N 90 121.632 116.845 4.787 1
1 1068 . 15 1 1 A 91 91 GLY H H 91 8.313 7.833 0.480 1
1 1069 . 15 1 1 A 91 91 GLY HA2 H 91 3.966 3.769 0.197 1
1 1070 . 15 1 1 A 91 91 GLY HA3 H 91 3.784 3.909 -0.125 1
1 1071 . 15 1 1 A 91 91 GLY C C 91 178.622 174.316 4.306 1
1 1072 . 15 1 1 A 91 91 GLY CA C 91 45.916 45.339 0.577 1
1 1073 . 15 1 1 A 91 91 GLY N N 91 108.097 108.224 -0.127 1
1 1074 . 15 1 1 A 92 92 VAL H H 92 7.078 7.566 -0.488 1
1 1075 . 15 1 1 A 92 92 VAL HA H 92 4.810 4.384 0.426 1
1 1083 . 15 1 1 A 92 92 VAL C C 92 176.954 175.899 1.055 1
1 1084 . 15 1 1 A 92 92 VAL CA C 92 59.083 61.553 -2.470 1
1 1085 . 15 1 1 A 92 92 VAL CB C 92 35.602 33.252 2.350 1
1 1088 . 15 1 1 A 92 92 VAL N N 92 113.901 117.657 -3.756 1
1 1089 . 15 1 1 A 93 93 CYS H H 93 9.086 8.358 0.728 1
1 1090 . 15 1 1 A 93 93 CYS HA H 93 4.118 4.739 -0.621 1
1 1093 . 15 1 1 A 93 93 CYS C C 93 173.477 176.547 -3.070 1
1 1094 . 15 1 1 A 93 93 CYS CA C 93 60.511 60.404 0.107 1
1 1095 . 15 1 1 A 93 93 CYS CB C 93 31.124 29.094 2.030 1
1 1096 . 15 1 1 A 93 93 CYS N N 93 126.248 122.952 3.296 1
1 1097 . 15 1 1 A 94 94 GLU H H 94 5.667 9.141 -3.474 1
1 1098 . 15 1 1 A 94 94 GLU HA H 94 4.073 4.072 0.001 1
1 1103 . 15 1 1 A 94 94 GLU C C 94 176.973 178.320 -1.347 1
1 1104 . 15 1 1 A 94 94 GLU CA C 94 57.434 59.108 -1.674 1
1 1105 . 15 1 1 A 94 94 GLU CB C 94 28.813 29.315 -0.502 1
1 1107 . 15 1 1 A 94 94 GLU N N 94 126.541 127.883 -1.342 1
1 1108 . 15 1 1 A 95 95 LYS H H 95 9.002 7.324 1.678 1
1 1109 . 15 1 1 A 95 95 LYS HA H 95 4.076 4.210 -0.134 1
1 1118 . 15 1 1 A 95 95 LYS C C 95 174.890 177.009 -2.119 1
1 1119 . 15 1 1 A 95 95 LYS CA C 95 57.782 58.127 -0.345 1
1 1120 . 15 1 1 A 95 95 LYS CB C 95 34.056 33.410 0.646 1
1 1124 . 15 1 1 A 95 95 LYS N N 95 123.753 117.752 6.001 1
1 1125 . 15 1 1 A 96 96 CYS H H 96 9.063 7.732 1.331 1
1 1126 . 15 1 1 A 96 96 CYS HA H 96 4.755 4.860 -0.105 1
1 1129 . 15 1 1 A 96 96 CYS C C 96 174.775 173.889 0.886 1
1 1130 . 15 1 1 A 96 96 CYS CA C 96 58.756 57.635 1.121 1
1 1131 . 15 1 1 A 96 96 CYS CB C 96 32.066 29.143 2.923 1
1 1132 . 15 1 1 A 96 96 CYS N N 96 120.699 115.395 5.304 1
1 1133 . 15 1 1 A 97 97 HIS H H 97 7.541 8.881 -1.340 1
1 1134 . 15 1 1 A 97 97 HIS HA H 97 4.474 4.566 -0.092 1
1 1139 . 15 1 1 A 97 97 HIS C C 97 178.193 174.733 3.460 1
1 1140 . 15 1 1 A 97 97 HIS CA C 97 57.481 55.684 1.797 1
1 1141 . 15 1 1 A 97 97 HIS CB C 97 27.126 28.873 -1.747 1
1 1144 . 15 1 1 A 97 97 HIS N N 97 116.676 122.247 -5.571 1
1 1147 . 15 1 1 A 98 98 SER H H 98 8.775 8.244 0.531 1
1 1148 . 15 1 1 A 98 98 SER HA H 98 4.322 4.926 -0.604 1
1 1151 . 15 1 1 A 98 98 SER C C 98 176.432 173.877 2.555 1
1 1152 . 15 1 1 A 98 98 SER CA C 98 58.923 57.584 1.339 1
1 1153 . 15 1 1 A 98 98 SER CB C 98 64.790 67.054 -2.264 1
1 1154 . 15 1 1 A 98 98 SER N N 98 116.989 115.001 1.988 1
1 1155 . 15 1 1 A 99 99 LYS H H 99 8.567 8.807 -0.240 1
1 1156 . 15 1 1 A 99 99 LYS HA H 99 4.935 4.440 0.495 1
1 1165 . 15 1 1 A 99 99 LYS C C 99 173.648 177.541 -3.893 1
1 1166 . 15 1 1 A 99 99 LYS CA C 99 56.417 57.115 -0.698 1
1 1167 . 15 1 1 A 99 99 LYS CB C 99 32.366 31.935 0.431 1
1 1171 . 15 1 1 A 99 99 LYS N N 99 122.510 125.072 -2.562 1
1 1172 . 15 1 1 A 100 100 ASN H H 100 9.426 8.181 1.245 1
1 1173 . 15 1 1 A 100 100 ASN HA H 100 4.916 4.594 0.322 1
1 1178 . 15 1 1 A 100 100 ASN C C 100 178.498 175.503 2.995 1
1 1179 . 15 1 1 A 100 100 ASN CA C 100 51.999 54.165 -2.166 1
1 1180 . 15 1 1 A 100 100 ASN CB C 100 36.539 37.502 -0.963 1
1 1181 . 15 1 1 A 100 100 ASN N N 100 124.489 117.415 7.074 1
1 1183 . 15 1 1 A 101 101 VAL H H 101 7.627 7.464 0.163 1
1 1184 . 15 1 1 A 101 101 VAL HA H 101 5.329 4.141 1.188 1
1 1192 . 15 1 1 A 101 101 VAL C C 101 175.484 175.933 -0.449 1
1 1193 . 15 1 1 A 101 101 VAL CA C 101 58.253 62.255 -4.002 1
1 1194 . 15 1 1 A 101 101 VAL CB C 101 34.692 32.364 2.328 1
1 1197 . 15 1 1 A 101 101 VAL N N 101 112.585 119.684 -7.099 1
1 1198 . 15 1 1 A 102 102 ILE H H 102 9.032 8.856 0.176 1
1 1199 . 15 1 1 A 102 102 ILE HA H 102 4.671 4.778 -0.107 1
1 1209 . 15 1 1 A 102 102 ILE C C 102 177.283 174.518 2.765 1
1 1210 . 15 1 1 A 102 102 ILE CA C 102 58.979 58.630 0.349 1
1 1211 . 15 1 1 A 102 102 ILE CB C 102 41.970 41.864 0.106 1
1 1215 . 15 1 1 A 102 102 ILE N N 102 119.819 120.343 -0.524 1
1 1216 . 15 1 1 A 103 103 ILE H H 103 8.364 8.921 -0.557 1
1 1217 . 15 1 1 A 103 103 ILE HA H 103 4.527 4.268 0.259 1
1 1227 . 15 1 1 A 103 103 ILE C C 103 174.186 176.407 -2.221 1
1 1228 . 15 1 1 A 103 103 ILE CA C 103 61.366 61.351 0.015 1
1 1229 . 15 1 1 A 103 103 ILE CB C 103 38.577 36.862 1.715 1
1 1233 . 15 1 1 A 103 103 ILE N N 103 123.325 125.054 -1.729 1
1 1234 . 15 1 1 A 104 104 THR H H 104 8.796 8.925 -0.129 1
1 1235 . 15 1 1 A 104 104 THR HA H 104 4.260 4.372 -0.112 1
1 1240 . 15 1 1 A 104 104 THR C C 104 176.317 173.891 2.426 1
1 1241 . 15 1 1 A 104 104 THR CA C 104 62.708 63.204 -0.496 1
1 1242 . 15 1 1 A 104 104 THR CB C 104 68.431 69.853 -1.422 1
1 1244 . 15 1 1 A 104 104 THR N N 104 120.825 122.617 -1.792 1
1 1245 . 15 1 1 A 105 105 GLN H H 105 7.705 7.742 -0.037 1
1 1246 . 15 1 1 A 105 105 GLN HA H 105 4.482 4.658 -0.176 1
1 1253 . 15 1 1 A 105 105 GLN C C 105 177.316 175.153 2.163 1
1 1254 . 15 1 1 A 105 105 GLN CA C 105 55.621 55.391 0.230 1
1 1255 . 15 1 1 A 105 105 GLN CB C 105 31.897 31.750 0.147 1
1 1257 . 15 1 1 A 105 105 GLN N N 105 118.599 119.664 -1.065 1
1 1259 . 15 1 1 A 106 106 GLY H H 106 9.091 8.650 0.441 1
1 1260 . 15 1 1 A 106 106 GLY HA2 H 106 3.472 3.953 -0.481 1
1 1261 . 15 1 1 A 106 106 GLY HA3 H 106 4.255 3.956 0.299 1
1 1262 . 15 1 1 A 106 106 GLY C C 106 178.226 176.021 2.205 1
1 1263 . 15 1 1 A 106 106 GLY CA C 106 45.497 45.252 0.245 1
1 1264 . 15 1 1 A 106 106 GLY N N 106 106.938 115.147 -8.209 1
1 1265 . 15 1 1 A 107 107 ASN H H 107 8.542 8.315 0.227 1
1 1266 . 15 1 1 A 107 107 ASN HA H 107 4.670 4.494 0.176 1
1 1271 . 15 1 1 A 107 107 ASN C C 107 176.917 175.403 1.514 1
1 1272 . 15 1 1 A 107 107 ASN CA C 107 52.697 55.176 -2.479 1
1 1273 . 15 1 1 A 107 107 ASN CB C 107 39.745 38.868 0.877 1
1 1274 . 15 1 1 A 107 107 ASN N N 107 117.838 117.414 0.424 1
1 1276 . 15 1 1 A 108 108 GLU H H 108 8.050 7.713 0.337 1
1 1277 . 15 1 1 A 108 108 GLU HA H 108 4.638 4.784 -0.146 1
1 1282 . 15 1 1 A 108 108 GLU C C 108 176.463 174.749 1.714 1
1 1283 . 15 1 1 A 108 108 GLU CA C 108 55.693 54.629 1.064 1
1 1284 . 15 1 1 A 108 108 GLU CB C 108 32.643 34.357 -1.714 1
1 1286 . 15 1 1 A 108 108 GLU N N 108 118.542 116.923 1.619 1
1 1287 . 15 1 1 A 109 109 MET H H 109 8.431 8.918 -0.487 1
1 1288 . 15 1 1 A 109 109 MET HA H 109 5.236 5.418 -0.182 1
1 1296 . 15 1 1 A 109 109 MET C C 109 176.443 175.099 1.344 1
1 1297 . 15 1 1 A 109 109 MET CA C 109 54.801 53.194 1.607 1
1 1298 . 15 1 1 A 109 109 MET CB C 109 33.115 34.936 -1.821 1
1 1301 . 15 1 1 A 109 109 MET N N 109 121.401 119.100 2.301 1
1 1302 . 15 1 1 A 110 110 ARG H H 110 9.166 8.646 0.520 1
1 1303 . 15 1 1 A 110 110 ARG HA H 110 4.771 4.859 -0.088 1
1 1311 . 15 1 1 A 110 110 ARG C C 110 177.215 175.991 1.224 1
1 1312 . 15 1 1 A 110 110 ARG CA C 110 54.826 54.019 0.807 1
1 1313 . 15 1 1 A 110 110 ARG CB C 110 33.474 34.123 -0.649 1
1 1316 . 15 1 1 A 110 110 ARG N N 110 123.271 119.718 3.553 1
1 1318 . 15 1 1 A 111 111 LEU H H 111 8.874 8.480 0.394 1
1 1319 . 15 1 1 A 111 111 LEU HA H 111 4.335 4.373 -0.038 1
1 1329 . 15 1 1 A 111 111 LEU C C 111 175.976 176.350 -0.374 1
1 1330 . 15 1 1 A 111 111 LEU CA C 111 55.633 54.592 1.041 1
1 1331 . 15 1 1 A 111 111 LEU CB C 111 42.413 43.288 -0.875 1
1 1335 . 15 1 1 A 111 111 LEU N N 111 125.212 120.781 4.431 1
1 1336 . 15 1 1 A 112 112 LEU HA H 112 4.432 4.503 -0.071 1
1 1346 . 15 1 1 A 112 112 LEU C C 112 173.898 176.475 -2.577 1
1 1347 . 15 1 1 A 112 112 LEU CA C 112 56.230 55.837 0.393 1
1 1348 . 15 1 1 A 112 112 LEU CB C 112 42.688 43.559 -0.871 1
1 1352 . 15 1 1 A 113 113 SER H H 113 7.895 7.560 0.335 1
1 1353 . 15 1 1 A 113 113 SER HA H 113 4.509 4.874 -0.365 1
1 1356 . 15 1 1 A 113 113 SER C C 113 180.240 172.408 7.832 1
1 1357 . 15 1 1 A 113 113 SER CA C 113 58.129 57.622 0.507 1
1 1358 . 15 1 1 A 113 113 SER CB C 113 64.473 67.615 -3.142 1
1 1359 . 15 1 1 A 113 113 SER N N 113 110.894 110.798 0.096 1
1 1360 . 15 1 1 A 114 114 LEU H H 114 8.151 8.529 -0.378 1
1 1361 . 15 1 1 A 114 114 LEU HA H 114 5.086 5.353 -0.267 1
1 1371 . 15 1 1 A 114 114 LEU C C 114 175.777 175.097 0.680 1
1 1372 . 15 1 1 A 114 114 LEU CA C 114 53.830 53.107 0.723 1
1 1373 . 15 1 1 A 114 114 LEU CB C 114 46.471 44.740 1.731 1
1 1377 . 15 1 1 A 114 114 LEU N N 114 120.671 118.223 2.448 1
1 1378 . 15 1 1 A 115 115 GLU H H 115 8.666 8.935 -0.269 1
1 1379 . 15 1 1 A 115 115 GLU HA H 115 4.823 4.562 0.261 1
1 1384 . 15 1 1 A 115 115 GLU C C 115 175.727 176.403 -0.676 1
1 1385 . 15 1 1 A 115 115 GLU CA C 115 55.127 56.904 -1.777 1
1 1386 . 15 1 1 A 115 115 GLU CB C 115 31.063 30.273 0.790 1
1 1388 . 15 1 1 A 115 115 GLU N N 115 122.105 124.578 -2.473 1
1 1389 . 15 1 1 A 116 116 MET H H 116 9.159 8.910 0.249 1
1 1390 . 15 1 1 A 116 116 MET HA H 116 4.989 5.121 -0.132 1
1 1398 . 15 1 1 A 116 116 MET C C 116 177.447 174.709 2.738 1
1 1399 . 15 1 1 A 116 116 MET CA C 116 54.669 54.514 0.155 1
1 1400 . 15 1 1 A 116 116 MET CB C 116 36.107 37.262 -1.155 1
1 1403 . 15 1 1 A 116 116 MET N N 116 123.947 121.393 2.554 1
1 1404 . 15 1 1 A 117 117 LEU H H 117 8.573 9.039 -0.466 1
1 1405 . 15 1 1 A 117 117 LEU HA H 117 4.670 5.048 -0.378 1
1 1412 . 15 1 1 A 117 117 LEU C C 117 175.990 176.025 -0.035 1
1 1413 . 15 1 1 A 117 117 LEU CA C 117 54.549 53.553 0.996 1
1 1414 . 15 1 1 A 117 117 LEU CB C 117 44.045 46.499 -2.454 1
1 1417 . 15 1 1 A 117 117 LEU N N 117 122.478 123.450 -0.972 1
1 1418 . 15 1 1 A 118 118 ALA H H 118 8.714 8.611 0.103 1
1 1419 . 15 1 1 A 118 118 ALA HA H 118 4.604 4.657 -0.053 1
1 1423 . 15 1 1 A 118 118 ALA C C 118 175.279 177.334 -2.055 1
1 1424 . 15 1 1 A 118 118 ALA CA C 118 52.155 52.209 -0.054 1
1 1425 . 15 1 1 A 118 118 ALA CB C 118 20.444 21.540 -1.096 1
1 1426 . 15 1 1 A 118 118 ALA N N 118 127.701 124.119 3.582 1
1 4 . 16 1 1 A 2 2 SER HA H 2 4.544 4.525 0.019 1
1 7 . 16 1 1 A 2 2 SER CA C 2 58.424 58.613 -0.189 1
1 8 . 16 1 1 A 2 2 SER CB C 2 64.017 64.124 -0.107 1
1 13 . 16 1 1 A 4 4 HIS HA H 4 4.504 4.176 0.328 1
1 17 . 16 1 1 A 4 4 HIS C C 4 175.043 177.489 -2.446 1
1 18 . 16 1 1 A 4 4 HIS CA C 4 58.574 60.125 -1.551 1
1 19 . 16 1 1 A 4 4 HIS CB C 4 30.859 29.431 1.428 1
1 20 . 16 1 1 A 5 5 GLU H H 5 10.002 8.945 1.057 1
1 21 . 16 1 1 A 5 5 GLU HA H 5 3.831 4.049 -0.218 1
1 26 . 16 1 1 A 5 5 GLU C C 5 173.758 176.799 -3.041 1
1 27 . 16 1 1 A 5 5 GLU CA C 5 61.822 58.262 3.560 1
1 28 . 16 1 1 A 5 5 GLU CB C 5 28.884 27.816 1.068 1
1 30 . 16 1 1 A 5 5 GLU N N 5 120.850 116.338 4.512 1
1 31 . 16 1 1 A 6 6 TYR H H 6 8.163 7.397 0.766 1
1 32 . 16 1 1 A 6 6 TYR HA H 6 4.066 4.551 -0.485 1
1 39 . 16 1 1 A 6 6 TYR C C 6 173.754 176.877 -3.123 1
1 40 . 16 1 1 A 6 6 TYR CA C 6 61.029 58.531 2.498 1
1 41 . 16 1 1 A 6 6 TYR CB C 6 37.391 38.865 -1.474 1
1 44 . 16 1 1 A 6 6 TYR N N 6 117.171 119.026 -1.855 1
1 45 . 16 1 1 A 7 7 SER H H 7 7.929 7.932 -0.003 1
1 46 . 16 1 1 A 7 7 SER HA H 7 4.265 4.204 0.061 1
1 49 . 16 1 1 A 7 7 SER C C 7 174.434 176.641 -2.207 1
1 50 . 16 1 1 A 7 7 SER CA C 7 61.471 61.306 0.165 1
1 51 . 16 1 1 A 7 7 SER CB C 7 62.686 62.363 0.323 1
1 52 . 16 1 1 A 7 7 SER N N 7 116.417 116.228 0.189 1
1 53 . 16 1 1 A 8 8 VAL H H 8 8.088 8.202 -0.114 1
1 54 . 16 1 1 A 8 8 VAL HA H 8 3.795 3.804 -0.009 1
1 62 . 16 1 1 A 8 8 VAL C C 8 172.652 177.895 -5.243 1
1 63 . 16 1 1 A 8 8 VAL CA C 8 66.036 65.451 0.585 1
1 64 . 16 1 1 A 8 8 VAL CB C 8 31.811 31.558 0.253 1
1 67 . 16 1 1 A 8 8 VAL N N 8 122.514 120.349 2.165 1
1 68 . 16 1 1 A 9 9 VAL H H 9 8.255 8.422 -0.167 1
1 69 . 16 1 1 A 9 9 VAL HA H 9 3.539 3.639 -0.100 1
1 77 . 16 1 1 A 9 9 VAL C C 9 174.142 177.911 -3.769 1
1 78 . 16 1 1 A 9 9 VAL CA C 9 67.201 67.132 0.069 1
1 79 . 16 1 1 A 9 9 VAL CB C 9 30.859 31.814 -0.955 1
1 82 . 16 1 1 A 9 9 VAL N N 9 120.829 122.116 -1.287 1
1 83 . 16 1 1 A 10 10 SER H H 10 8.179 8.428 -0.249 1
1 84 . 16 1 1 A 10 10 SER HA H 10 3.726 3.961 -0.235 1
1 87 . 16 1 1 A 10 10 SER C C 10 173.669 177.379 -3.710 1
1 88 . 16 1 1 A 10 10 SER CA C 10 62.397 61.578 0.819 1
1 89 . 16 1 1 A 10 10 SER CB C 10 62.470 62.917 -0.447 1
1 90 . 16 1 1 A 10 10 SER N N 10 115.937 115.439 0.498 1
1 91 . 16 1 1 A 11 11 SER H H 11 7.860 7.961 -0.101 1
1 92 . 16 1 1 A 11 11 SER HA H 11 4.312 4.184 0.128 1
1 95 . 16 1 1 A 11 11 SER C C 11 174.888 177.528 -2.640 1
1 96 . 16 1 1 A 11 11 SER CA C 11 61.863 61.638 0.225 1
1 97 . 16 1 1 A 11 11 SER CB C 11 62.638 63.099 -0.461 1
1 98 . 16 1 1 A 11 11 SER N N 11 117.940 115.435 2.505 1
1 99 . 16 1 1 A 12 12 LEU H H 12 8.197 8.395 -0.198 1
1 100 . 16 1 1 A 12 12 LEU HA H 12 4.331 4.112 0.219 1
1 110 . 16 1 1 A 12 12 LEU C C 12 172.791 178.582 -5.791 1
1 111 . 16 1 1 A 12 12 LEU CA C 12 58.035 58.671 -0.636 1
1 112 . 16 1 1 A 12 12 LEU CB C 12 42.062 41.756 0.306 1
1 116 . 16 1 1 A 12 12 LEU N N 12 125.411 122.177 3.234 1
1 117 . 16 1 1 A 13 13 ILE H H 13 8.689 8.136 0.553 1
1 118 . 16 1 1 A 13 13 ILE HA H 13 3.654 3.798 -0.144 1
1 128 . 16 1 1 A 13 13 ILE C C 13 173.945 177.845 -3.900 1
1 129 . 16 1 1 A 13 13 ILE CA C 13 65.287 65.924 -0.637 1
1 130 . 16 1 1 A 13 13 ILE CB C 13 36.843 37.843 -1.000 1
1 134 . 16 1 1 A 13 13 ILE N N 13 121.352 119.768 1.584 1
1 135 . 16 1 1 A 14 14 ALA H H 14 7.692 8.243 -0.551 1
1 136 . 16 1 1 A 14 14 ALA HA H 14 4.218 4.024 0.194 1
1 140 . 16 1 1 A 14 14 ALA C C 14 170.805 180.245 -9.440 1
1 141 . 16 1 1 A 14 14 ALA CA C 14 55.484 55.252 0.232 1
1 142 . 16 1 1 A 14 14 ALA CB C 14 17.698 18.028 -0.330 1
1 143 . 16 1 1 A 14 14 ALA N N 14 121.374 122.707 -1.333 1
1 144 . 16 1 1 A 15 15 LEU H H 15 8.040 8.226 -0.186 1
1 145 . 16 1 1 A 15 15 LEU HA H 15 4.253 3.664 0.589 1
1 152 . 16 1 1 A 15 15 LEU C C 15 171.818 178.868 -7.050 1
1 153 . 16 1 1 A 15 15 LEU CA C 15 58.208 57.947 0.261 1
1 154 . 16 1 1 A 15 15 LEU CB C 15 42.286 41.630 0.656 1
1 157 . 16 1 1 A 15 15 LEU N N 15 121.328 118.254 3.074 1
1 158 . 16 1 1 A 16 16 CYS H H 16 8.587 8.458 0.129 1
1 159 . 16 1 1 A 16 16 CYS HA H 16 3.954 4.102 -0.148 1
1 162 . 16 1 1 A 16 16 CYS C C 16 174.494 176.857 -2.363 1
1 163 . 16 1 1 A 16 16 CYS CA C 16 64.933 63.131 1.802 1
1 164 . 16 1 1 A 16 16 CYS CB C 16 26.960 26.957 0.003 1
1 165 . 16 1 1 A 16 16 CYS N N 16 118.908 117.034 1.874 1
1 166 . 16 1 1 A 17 17 GLU H H 17 8.576 8.535 0.041 1
1 167 . 16 1 1 A 17 17 GLU HA H 17 3.806 3.968 -0.162 1
1 172 . 16 1 1 A 17 17 GLU C C 17 172.225 178.670 -6.445 1
1 173 . 16 1 1 A 17 17 GLU CA C 17 60.306 59.958 0.348 1
1 174 . 16 1 1 A 17 17 GLU CB C 17 29.130 29.305 -0.175 1
1 176 . 16 1 1 A 17 17 GLU N N 17 118.419 120.910 -2.491 1
1 177 . 16 1 1 A 18 18 GLU H H 18 8.156 8.123 0.033 1
1 178 . 16 1 1 A 18 18 GLU HA H 18 4.115 3.996 0.119 1
1 183 . 16 1 1 A 18 18 GLU C C 18 172.241 179.232 -6.991 1
1 184 . 16 1 1 A 18 18 GLU CA C 18 59.507 59.439 0.068 1
1 185 . 16 1 1 A 18 18 GLU CB C 18 29.335 29.323 0.012 1
1 187 . 16 1 1 A 18 18 GLU N N 18 121.603 118.872 2.731 1
1 188 . 16 1 1 A 19 19 HIS H H 19 8.379 7.942 0.437 1
1 189 . 16 1 1 A 19 19 HIS HA H 19 4.174 4.360 -0.186 1
1 194 . 16 1 1 A 19 19 HIS C C 19 172.511 177.625 -5.114 1
1 195 . 16 1 1 A 19 19 HIS CA C 19 60.525 59.721 0.804 1
1 196 . 16 1 1 A 19 19 HIS CB C 19 31.354 29.416 1.938 1
1 198 . 16 1 1 A 19 19 HIS N N 19 119.634 118.941 0.693 1
1 201 . 16 1 1 A 20 20 ALA H H 20 8.568 8.281 0.287 1
1 202 . 16 1 1 A 20 20 ALA HA H 20 4.143 3.851 0.292 1
1 206 . 16 1 1 A 20 20 ALA C C 20 172.155 179.241 -7.086 1
1 207 . 16 1 1 A 20 20 ALA CA C 20 55.716 55.285 0.431 1
1 208 . 16 1 1 A 20 20 ALA CB C 20 17.682 18.352 -0.670 1
1 209 . 16 1 1 A 20 20 ALA N N 20 122.453 122.700 -0.247 1
1 210 . 16 1 1 A 21 21 LYS H H 21 8.055 7.916 0.139 1
1 211 . 16 1 1 A 21 21 LYS HA H 21 4.128 3.791 0.337 1
1 220 . 16 1 1 A 21 21 LYS C C 21 170.753 178.663 -7.910 1
1 221 . 16 1 1 A 21 21 LYS CA C 21 59.469 59.136 0.333 1
1 222 . 16 1 1 A 21 21 LYS CB C 21 32.369 31.931 0.438 1
1 226 . 16 1 1 A 21 21 LYS N N 21 118.604 116.452 2.152 1
1 227 . 16 1 1 A 22 22 LYS H H 22 8.092 7.670 0.422 1
1 228 . 16 1 1 A 22 22 LYS HA H 22 4.100 4.061 0.039 1
1 237 . 16 1 1 A 22 22 LYS C C 22 174.300 178.178 -3.878 1
1 238 . 16 1 1 A 22 22 LYS CA C 22 58.920 59.249 -0.329 1
1 239 . 16 1 1 A 22 22 LYS CB C 22 32.406 32.310 0.096 1
1 243 . 16 1 1 A 22 22 LYS N N 22 119.468 119.630 -0.162 1
1 244 . 16 1 1 A 23 23 ASN H H 23 7.461 7.895 -0.434 1
1 245 . 16 1 1 A 23 23 ASN HA H 23 4.710 4.781 -0.071 1
1 248 . 16 1 1 A 23 23 ASN C C 23 178.526 174.761 3.765 1
1 249 . 16 1 1 A 23 23 ASN CA C 23 53.514 53.312 0.202 1
1 250 . 16 1 1 A 23 23 ASN CB C 23 40.124 38.970 1.154 1
1 251 . 16 1 1 A 23 23 ASN N N 23 115.166 116.962 -1.796 1
1 252 . 16 1 1 A 24 24 GLN H H 24 7.879 7.849 0.030 1
1 253 . 16 1 1 A 24 24 GLN HA H 24 3.927 3.769 0.158 1
1 260 . 16 1 1 A 24 24 GLN C C 24 177.284 175.391 1.893 1
1 261 . 16 1 1 A 24 24 GLN CA C 24 57.083 56.726 0.357 1
1 262 . 16 1 1 A 24 24 GLN CB C 24 26.400 25.968 0.432 1
1 264 . 16 1 1 A 24 24 GLN N N 24 116.046 116.418 -0.372 1
1 266 . 16 1 1 A 25 25 ALA H H 25 8.491 8.201 0.290 1
1 267 . 16 1 1 A 25 25 ALA HA H 25 4.600 4.243 0.357 1
1 271 . 16 1 1 A 25 25 ALA C C 25 174.729 177.902 -3.173 1
1 272 . 16 1 1 A 25 25 ALA CA C 25 51.416 54.193 -2.777 1
1 273 . 16 1 1 A 25 25 ALA CB C 25 21.350 19.656 1.694 1
1 274 . 16 1 1 A 25 25 ALA N N 25 120.372 120.423 -0.051 1
1 275 . 16 1 1 A 26 26 HIS H H 26 8.476 7.787 0.689 1
1 276 . 16 1 1 A 26 26 HIS HA H 26 4.736 4.185 0.551 1
1 280 . 16 1 1 A 26 26 HIS C C 26 176.751 173.553 3.198 1
1 281 . 16 1 1 A 26 26 HIS CA C 26 56.211 57.321 -1.110 1
1 282 . 16 1 1 A 26 26 HIS CB C 26 31.838 27.248 4.590 1
1 284 . 16 1 1 A 26 26 HIS N N 26 117.648 112.325 5.323 1
1 285 . 16 1 1 A 27 27 LYS H H 27 7.540 7.396 0.144 1
1 286 . 16 1 1 A 27 27 LYS HA H 27 4.766 4.666 0.100 1
1 295 . 16 1 1 A 27 27 LYS C C 27 176.918 173.883 3.035 1
1 296 . 16 1 1 A 27 27 LYS CA C 27 55.877 55.058 0.819 1
1 297 . 16 1 1 A 27 27 LYS CB C 27 36.796 35.491 1.305 1
1 301 . 16 1 1 A 27 27 LYS N N 27 116.451 113.415 3.036 1
1 302 . 16 1 1 A 28 28 ILE H H 28 8.320 8.803 -0.483 1
1 303 . 16 1 1 A 28 28 ILE HA H 28 4.319 4.916 -0.597 1
1 310 . 16 1 1 A 28 28 ILE C C 28 176.921 175.971 0.950 1
1 311 . 16 1 1 A 28 28 ILE CA C 28 60.552 59.675 0.877 1
1 312 . 16 1 1 A 28 28 ILE CB C 28 38.843 41.484 -2.641 1
1 313 . 16 1 1 A 28 28 ILE N N 28 123.140 121.085 2.055 1
1 314 . 16 1 1 A 29 29 GLU H H 29 9.001 9.310 -0.309 1
1 315 . 16 1 1 A 29 29 GLU HA H 29 4.446 4.298 0.148 1
1 320 . 16 1 1 A 29 29 GLU C C 29 174.406 175.514 -1.108 1
1 321 . 16 1 1 A 29 29 GLU CA C 29 57.363 58.410 -1.047 1
1 322 . 16 1 1 A 29 29 GLU CB C 29 31.761 30.426 1.335 1
1 324 . 16 1 1 A 29 29 GLU N N 29 125.872 126.667 -0.795 1
1 325 . 16 1 1 A 30 30 ARG H H 30 7.654 7.572 0.082 1
1 326 . 16 1 1 A 30 30 ARG HA H 30 5.282 4.958 0.324 1
1 334 . 16 1 1 A 30 30 ARG C C 30 178.750 175.226 3.524 1
1 335 . 16 1 1 A 30 30 ARG CA C 30 55.558 54.527 1.031 1
1 336 . 16 1 1 A 30 30 ARG CB C 30 34.774 32.709 2.065 1
1 338 . 16 1 1 A 30 30 ARG N N 30 119.436 117.611 1.825 1
1 340 . 16 1 1 A 31 31 VAL H H 31 9.234 8.801 0.433 1
1 341 . 16 1 1 A 31 31 VAL HA H 31 4.397 4.176 0.221 1
1 349 . 16 1 1 A 31 31 VAL C C 31 178.662 175.382 3.280 1
1 350 . 16 1 1 A 31 31 VAL CA C 31 60.882 62.955 -2.073 1
1 351 . 16 1 1 A 31 31 VAL CB C 31 34.494 31.901 2.593 1
1 354 . 16 1 1 A 31 31 VAL N N 31 127.428 124.582 2.846 1
1 355 . 16 1 1 A 32 32 VAL H H 32 8.626 9.202 -0.576 1
1 356 . 16 1 1 A 32 32 VAL HA H 32 5.039 4.678 0.361 1
1 364 . 16 1 1 A 32 32 VAL C C 32 175.519 175.291 0.228 1
1 365 . 16 1 1 A 32 32 VAL CA C 32 60.917 61.404 -0.487 1
1 366 . 16 1 1 A 32 32 VAL CB C 32 31.892 33.242 -1.350 1
1 368 . 16 1 1 A 32 32 VAL N N 32 126.581 127.767 -1.186 1
1 369 . 16 1 1 A 33 33 VAL H H 33 8.802 9.158 -0.356 1
1 370 . 16 1 1 A 33 33 VAL HA H 33 4.917 4.532 0.385 1
1 378 . 16 1 1 A 33 33 VAL C C 33 178.038 174.760 3.278 1
1 379 . 16 1 1 A 33 33 VAL CA C 33 58.975 60.723 -1.748 1
1 380 . 16 1 1 A 33 33 VAL CB C 33 35.109 35.524 -0.415 1
1 383 . 16 1 1 A 33 33 VAL N N 33 122.994 127.081 -4.087 1
1 384 . 16 1 1 A 34 34 GLY H H 34 9.535 9.292 0.243 1
1 385 . 16 1 1 A 34 34 GLY HA2 H 34 5.187 4.183 1.004 1
1 386 . 16 1 1 A 34 34 GLY HA3 H 34 3.404 4.189 -0.785 1
1 387 . 16 1 1 A 34 34 GLY C C 34 178.060 172.136 5.924 1
1 388 . 16 1 1 A 34 34 GLY CA C 34 44.108 44.373 -0.265 1
1 389 . 16 1 1 A 34 34 GLY N N 34 112.269 115.071 -2.802 1
1 390 . 16 1 1 A 35 35 ILE H H 35 8.761 9.404 -0.643 1
1 391 . 16 1 1 A 35 35 ILE HA H 35 4.340 4.757 -0.417 1
1 401 . 16 1 1 A 35 35 ILE C C 35 174.823 176.273 -1.450 1
1 402 . 16 1 1 A 35 35 ILE CA C 35 60.287 59.399 0.888 1
1 403 . 16 1 1 A 35 35 ILE CB C 35 39.357 41.157 -1.800 1
1 407 . 16 1 1 A 35 35 ILE N N 35 123.848 124.651 -0.803 1
1 408 . 16 1 1 A 36 36 GLY H H 36 8.439 8.305 0.134 1
1 409 . 16 1 1 A 36 36 GLY HA2 H 36 3.321 4.093 -0.772 1
1 410 . 16 1 1 A 36 36 GLY HA3 H 36 4.444 4.096 0.348 1
1 411 . 16 1 1 A 36 36 GLY C C 36 175.743 174.705 1.038 1
1 412 . 16 1 1 A 36 36 GLY CA C 36 46.389 45.500 0.889 1
1 413 . 16 1 1 A 36 36 GLY N N 36 117.219 114.086 3.133 1
1 414 . 16 1 1 A 37 37 GLU H H 37 8.756 9.037 -0.281 1
1 415 . 16 1 1 A 37 37 GLU HA H 37 4.277 4.118 0.159 1
1 420 . 16 1 1 A 37 37 GLU C C 37 174.413 176.810 -2.397 1
1 421 . 16 1 1 A 37 37 GLU CA C 37 58.568 58.356 0.212 1
1 422 . 16 1 1 A 37 37 GLU CB C 37 29.809 29.020 0.789 1
1 424 . 16 1 1 A 37 37 GLU N N 37 124.260 120.778 3.482 1
1 425 . 16 1 1 A 38 38 ARG H H 38 8.483 7.807 0.676 1
1 426 . 16 1 1 A 38 38 ARG HA H 38 4.594 4.575 0.019 1
1 434 . 16 1 1 A 38 38 ARG C C 38 175.250 176.553 -1.303 1
1 435 . 16 1 1 A 38 38 ARG CA C 38 54.916 55.430 -0.514 1
1 436 . 16 1 1 A 38 38 ARG CB C 38 29.706 30.723 -1.017 1
1 439 . 16 1 1 A 38 38 ARG N N 38 117.248 119.958 -2.710 1
1 441 . 16 1 1 A 39 39 SER H H 39 7.630 7.864 -0.234 1
1 442 . 16 1 1 A 39 39 SER HA H 39 4.139 4.428 -0.289 1
1 445 . 16 1 1 A 39 39 SER C C 39 176.694 173.893 2.801 1
1 446 . 16 1 1 A 39 39 SER CA C 39 59.524 60.065 -0.541 1
1 447 . 16 1 1 A 39 39 SER CB C 39 64.248 63.092 1.156 1
1 448 . 16 1 1 A 39 39 SER N N 39 115.086 115.549 -0.463 1
1 449 . 16 1 1 A 40 40 ALA H H 40 8.667 7.935 0.732 1
1 450 . 16 1 1 A 40 40 ALA HA H 40 4.267 4.010 0.257 1
1 454 . 16 1 1 A 40 40 ALA C C 40 174.406 176.426 -2.020 1
1 455 . 16 1 1 A 40 40 ALA CA C 40 52.641 54.087 -1.446 1
1 456 . 16 1 1 A 40 40 ALA CB C 40 17.976 18.079 -0.103 1
1 457 . 16 1 1 A 40 40 ALA N N 40 126.133 122.238 3.895 1
1 458 . 16 1 1 A 41 41 MET H H 41 7.793 7.812 -0.019 1
1 459 . 16 1 1 A 41 41 MET HA H 41 4.389 4.494 -0.105 1
1 467 . 16 1 1 A 41 41 MET C C 41 176.689 175.377 1.312 1
1 468 . 16 1 1 A 41 41 MET CA C 41 55.965 54.539 1.426 1
1 469 . 16 1 1 A 41 41 MET CB C 41 34.761 33.063 1.698 1
1 472 . 16 1 1 A 41 41 MET N N 41 117.758 117.966 -0.208 1
1 473 . 16 1 1 A 42 42 ASP H H 42 9.667 8.824 0.843 1
1 474 . 16 1 1 A 42 42 ASP HA H 42 4.706 4.644 0.062 1
1 477 . 16 1 1 A 42 42 ASP C C 42 174.559 178.232 -3.673 1
1 478 . 16 1 1 A 42 42 ASP CA C 42 53.363 54.653 -1.290 1
1 479 . 16 1 1 A 42 42 ASP CB C 42 41.740 40.659 1.081 1
1 480 . 16 1 1 A 42 42 ASP N N 42 125.565 123.537 2.028 1
1 481 . 16 1 1 A 43 43 LYS H H 43 8.928 8.655 0.273 1
1 482 . 16 1 1 A 43 43 LYS HA H 43 3.752 4.127 -0.375 1
1 491 . 16 1 1 A 43 43 LYS C C 43 173.737 178.524 -4.787 1
1 492 . 16 1 1 A 43 43 LYS CA C 43 60.966 59.301 1.665 1
1 493 . 16 1 1 A 43 43 LYS CB C 43 32.585 32.058 0.527 1
1 497 . 16 1 1 A 43 43 LYS N N 43 127.256 125.397 1.859 1
1 498 . 16 1 1 A 44 44 SER H H 44 8.327 7.830 0.497 1
1 499 . 16 1 1 A 44 44 SER HA H 44 4.009 4.338 -0.329 1
1 502 . 16 1 1 A 44 44 SER C C 44 174.032 177.421 -3.389 1
1 503 . 16 1 1 A 44 44 SER CA C 44 62.461 61.001 1.460 1
1 504 . 16 1 1 A 44 44 SER CB C 44 62.281 62.858 -0.577 1
1 505 . 16 1 1 A 44 44 SER N N 44 114.797 115.140 -0.343 1
1 506 . 16 1 1 A 45 45 LEU H H 45 7.878 7.833 0.045 1
1 507 . 16 1 1 A 45 45 LEU HA H 45 4.254 4.089 0.165 1
1 517 . 16 1 1 A 45 45 LEU C C 45 172.915 178.738 -5.823 1
1 518 . 16 1 1 A 45 45 LEU CA C 45 57.128 58.107 -0.979 1
1 519 . 16 1 1 A 45 45 LEU CB C 45 41.738 41.872 -0.134 1
1 523 . 16 1 1 A 45 45 LEU N N 45 124.570 122.574 1.996 1
1 524 . 16 1 1 A 46 46 PHE H H 46 8.343 8.386 -0.043 1
1 525 . 16 1 1 A 46 46 PHE HA H 46 3.882 4.249 -0.367 1
1 532 . 16 1 1 A 46 46 PHE C C 46 175.104 177.012 -1.908 1
1 533 . 16 1 1 A 46 46 PHE CA C 46 61.820 61.615 0.205 1
1 534 . 16 1 1 A 46 46 PHE CB C 46 40.047 39.263 0.784 1
1 537 . 16 1 1 A 46 46 PHE N N 46 121.059 119.345 1.714 1
1 538 . 16 1 1 A 47 47 VAL H H 47 8.370 8.035 0.335 1
1 539 . 16 1 1 A 47 47 VAL HA H 47 3.466 3.574 -0.108 1
1 547 . 16 1 1 A 47 47 VAL C C 47 173.353 177.727 -4.374 1
1 548 . 16 1 1 A 47 47 VAL CA C 47 67.220 64.604 2.616 1
1 549 . 16 1 1 A 47 47 VAL CB C 47 31.927 31.351 0.576 1
1 552 . 16 1 1 A 47 47 VAL N N 47 118.023 119.299 -1.276 1
1 553 . 16 1 1 A 48 48 SER H H 48 7.967 8.263 -0.296 1
1 554 . 16 1 1 A 48 48 SER HA H 48 4.268 4.065 0.203 1
1 557 . 16 1 1 A 48 48 SER C C 48 174.187 177.059 -2.872 1
1 558 . 16 1 1 A 48 48 SER CA C 48 61.789 61.446 0.343 1
1 559 . 16 1 1 A 48 48 SER CB C 48 62.761 63.102 -0.341 1
1 560 . 16 1 1 A 48 48 SER N N 48 114.372 116.901 -2.529 1
1 561 . 16 1 1 A 49 49 ALA H H 49 8.489 7.893 0.596 1
1 562 . 16 1 1 A 49 49 ALA HA H 49 3.931 4.046 -0.115 1
1 566 . 16 1 1 A 49 49 ALA C C 49 172.626 179.419 -6.793 1
1 567 . 16 1 1 A 49 49 ALA CA C 49 55.067 54.952 0.115 1
1 568 . 16 1 1 A 49 49 ALA CB C 49 17.587 18.618 -1.031 1
1 569 . 16 1 1 A 49 49 ALA N N 49 124.199 122.992 1.207 1
1 570 . 16 1 1 A 50 50 PHE H H 50 8.510 8.365 0.145 1
1 571 . 16 1 1 A 50 50 PHE HA H 50 3.763 3.971 -0.208 1
1 578 . 16 1 1 A 50 50 PHE C C 50 174.923 177.902 -2.979 1
1 579 . 16 1 1 A 50 50 PHE CA C 50 63.098 61.629 1.469 1
1 580 . 16 1 1 A 50 50 PHE CB C 50 39.465 38.868 0.597 1
1 583 . 16 1 1 A 50 50 PHE N N 50 120.967 119.550 1.417 1
1 584 . 16 1 1 A 51 51 GLU H H 51 8.561 8.578 -0.017 1
1 585 . 16 1 1 A 51 51 GLU HA H 51 3.717 3.686 0.031 1
1 590 . 16 1 1 A 51 51 GLU C C 51 173.002 178.574 -5.572 1
1 591 . 16 1 1 A 51 51 GLU CA C 51 59.750 58.326 1.424 1
1 592 . 16 1 1 A 51 51 GLU CB C 51 29.330 28.256 1.074 1
1 594 . 16 1 1 A 51 51 GLU N N 51 116.915 117.507 -0.592 1
1 595 . 16 1 1 A 52 52 THR H H 52 7.759 7.776 -0.017 1
1 596 . 16 1 1 A 52 52 THR HA H 52 4.090 3.721 0.369 1
1 601 . 16 1 1 A 52 52 THR C C 52 174.897 175.680 -0.783 1
1 602 . 16 1 1 A 52 52 THR CA C 52 65.899 66.526 -0.627 1
1 603 . 16 1 1 A 52 52 THR CB C 52 69.172 68.274 0.898 1
1 605 . 16 1 1 A 52 52 THR N N 52 114.348 116.674 -2.326 1
1 606 . 16 1 1 A 53 53 PHE H H 53 8.725 7.615 1.110 1
1 607 . 16 1 1 A 53 53 PHE HA H 53 4.335 4.498 -0.163 1
1 614 . 16 1 1 A 53 53 PHE C C 53 172.389 176.678 -4.289 1
1 615 . 16 1 1 A 53 53 PHE CA C 53 60.011 58.762 1.249 1
1 616 . 16 1 1 A 53 53 PHE CB C 53 38.244 37.935 0.309 1
1 619 . 16 1 1 A 53 53 PHE N N 53 120.493 117.434 3.059 1
1 620 . 16 1 1 A 54 54 ARG H H 54 8.579 8.231 0.348 1
1 621 . 16 1 1 A 54 54 ARG HA H 54 3.626 3.893 -0.267 1
1 625 . 16 1 1 A 54 54 ARG C C 54 175.195 177.732 -2.537 1
1 626 . 16 1 1 A 54 54 ARG CA C 54 59.252 58.602 0.650 1
1 627 . 16 1 1 A 54 54 ARG CB C 54 26.544 29.486 -2.942 1
1 629 . 16 1 1 A 54 54 ARG N N 54 119.132 119.264 -0.132 1
1 631 . 16 1 1 A 55 55 GLU H H 55 6.758 8.609 -1.851 1
1 632 . 16 1 1 A 55 55 GLU HA H 55 3.983 4.052 -0.069 1
1 637 . 16 1 1 A 55 55 GLU C C 55 174.356 179.270 -4.914 1
1 638 . 16 1 1 A 55 55 GLU CA C 55 58.002 59.090 -1.088 1
1 639 . 16 1 1 A 55 55 GLU CB C 55 29.865 29.283 0.582 1
1 641 . 16 1 1 A 55 55 GLU N N 55 115.466 118.313 -2.847 1
1 642 . 16 1 1 A 56 56 GLU H H 56 7.245 7.645 -0.400 1
1 643 . 16 1 1 A 56 56 GLU HA H 56 4.294 4.115 0.179 1
1 648 . 16 1 1 A 56 56 GLU C C 56 175.946 175.922 0.024 1
1 649 . 16 1 1 A 56 56 GLU CA C 56 55.827 58.649 -2.822 1
1 650 . 16 1 1 A 56 56 GLU CB C 56 30.030 30.079 -0.049 1
1 652 . 16 1 1 A 56 56 GLU N N 56 114.653 119.761 -5.108 1
1 653 . 16 1 1 A 57 57 SER H H 57 7.405 7.808 -0.403 1
1 654 . 16 1 1 A 57 57 SER HA H 57 4.707 4.872 -0.165 1
1 657 . 16 1 1 A 57 57 SER C C 57 176.895 174.084 2.811 1
1 658 . 16 1 1 A 57 57 SER CA C 57 55.456 57.558 -2.102 1
1 659 . 16 1 1 A 57 57 SER CB C 57 64.059 66.261 -2.202 1
1 660 . 16 1 1 A 57 57 SER N N 57 114.312 112.198 2.114 1
1 661 . 16 1 1 A 58 58 LEU H H 58 8.819 9.064 -0.245 1
1 662 . 16 1 1 A 58 58 LEU HA H 58 4.120 4.075 0.045 1
1 672 . 16 1 1 A 58 58 LEU C C 58 172.006 178.981 -6.975 1
1 673 . 16 1 1 A 58 58 LEU CA C 58 58.438 57.697 0.741 1
1 674 . 16 1 1 A 58 58 LEU CB C 58 41.839 41.356 0.483 1
1 678 . 16 1 1 A 58 58 LEU N N 58 129.477 126.594 2.883 1
1 679 . 16 1 1 A 59 59 VAL H H 59 7.929 7.934 -0.005 1
1 680 . 16 1 1 A 59 59 VAL HA H 59 4.305 4.020 0.285 1
1 688 . 16 1 1 A 59 59 VAL C C 59 173.624 177.928 -4.304 1
1 689 . 16 1 1 A 59 59 VAL CA C 59 64.028 64.644 -0.616 1
1 690 . 16 1 1 A 59 59 VAL CB C 59 33.135 31.362 1.773 1
1 693 . 16 1 1 A 59 59 VAL N N 59 112.367 114.911 -2.544 1
1 694 . 16 1 1 A 60 60 CYS H H 60 7.786 7.909 -0.123 1
1 695 . 16 1 1 A 60 60 CYS HA H 60 4.589 4.487 0.102 1
1 698 . 16 1 1 A 60 60 CYS C C 60 176.508 176.802 -0.294 1
1 699 . 16 1 1 A 60 60 CYS CA C 60 59.907 62.573 -2.666 1
1 700 . 16 1 1 A 60 60 CYS CB C 60 28.211 27.642 0.569 1
1 701 . 16 1 1 A 60 60 CYS N N 60 115.412 120.278 -4.866 1
1 702 . 16 1 1 A 61 61 LYS H H 61 7.415 8.017 -0.602 1
1 703 . 16 1 1 A 61 61 LYS HA H 61 3.820 4.049 -0.229 1
1 712 . 16 1 1 A 61 61 LYS C C 61 175.812 177.265 -1.453 1
1 713 . 16 1 1 A 61 61 LYS CA C 61 60.389 58.517 1.872 1
1 714 . 16 1 1 A 61 61 LYS CB C 61 32.606 32.144 0.462 1
1 718 . 16 1 1 A 61 61 LYS N N 61 120.942 119.758 1.184 1
1 719 . 16 1 1 A 62 62 ASP C C 62 175.254 175.930 -0.676 1
1 720 . 16 1 1 A 62 62 ASP CA C 62 55.159 53.920 1.239 1
1 721 . 16 1 1 A 62 62 ASP CB C 62 42.358 42.263 0.095 1
1 722 . 16 1 1 A 64 64 ILE H H 64 7.784 8.457 -0.673 1
1 723 . 16 1 1 A 64 64 ILE HA H 64 4.126 4.995 -0.869 1
1 733 . 16 1 1 A 64 64 ILE C C 64 177.456 174.513 2.943 1
1 734 . 16 1 1 A 64 64 ILE CA C 64 60.516 59.718 0.798 1
1 735 . 16 1 1 A 64 64 ILE CB C 64 39.990 41.702 -1.712 1
1 739 . 16 1 1 A 64 64 ILE N N 64 122.653 118.673 3.980 1
1 740 . 16 1 1 A 65 65 LEU H H 65 8.357 8.838 -0.481 1
1 741 . 16 1 1 A 65 65 LEU HA H 65 4.858 4.768 0.090 1
1 751 . 16 1 1 A 65 65 LEU C C 65 176.625 174.502 2.123 1
1 752 . 16 1 1 A 65 65 LEU CA C 65 53.315 53.301 0.014 1
1 753 . 16 1 1 A 65 65 LEU CB C 65 43.307 43.999 -0.692 1
1 757 . 16 1 1 A 65 65 LEU N N 65 128.311 127.308 1.003 1
1 758 . 16 1 1 A 66 66 ASP H H 66 9.088 9.265 -0.177 1
1 759 . 16 1 1 A 66 66 ASP HA H 66 5.009 4.857 0.152 1
1 762 . 16 1 1 A 66 66 ASP C C 66 177.504 174.767 2.737 1
1 763 . 16 1 1 A 66 66 ASP CA C 66 53.137 53.383 -0.246 1
1 764 . 16 1 1 A 66 66 ASP CB C 66 44.234 40.865 3.369 1
1 765 . 16 1 1 A 66 66 ASP N N 66 129.457 128.317 1.140 1
1 766 . 16 1 1 A 67 67 ILE H H 67 8.240 8.587 -0.347 1
1 767 . 16 1 1 A 67 67 ILE HA H 67 4.759 4.564 0.195 1
1 777 . 16 1 1 A 67 67 ILE C C 67 175.569 175.653 -0.084 1
1 778 . 16 1 1 A 67 67 ILE CA C 67 59.640 61.257 -1.617 1
1 779 . 16 1 1 A 67 67 ILE CB C 67 39.948 37.487 2.461 1
1 783 . 16 1 1 A 67 67 ILE N N 67 120.821 126.865 -6.044 1
1 784 . 16 1 1 A 68 68 VAL H H 68 9.310 9.185 0.125 1
1 785 . 16 1 1 A 68 68 VAL HA H 68 4.149 4.490 -0.341 1
1 793 . 16 1 1 A 68 68 VAL C C 68 176.697 175.071 1.626 1
1 794 . 16 1 1 A 68 68 VAL CA C 68 60.707 60.725 -0.018 1
1 795 . 16 1 1 A 68 68 VAL CB C 68 34.121 34.544 -0.423 1
1 798 . 16 1 1 A 68 68 VAL N N 68 130.182 128.232 1.950 1
1 799 . 16 1 1 A 69 69 ASP H H 69 8.577 8.829 -0.252 1
1 800 . 16 1 1 A 69 69 ASP HA H 69 4.847 4.771 0.076 1
1 803 . 16 1 1 A 69 69 ASP C C 69 175.713 174.606 1.107 1
1 804 . 16 1 1 A 69 69 ASP CA C 69 54.357 53.870 0.487 1
1 805 . 16 1 1 A 69 69 ASP CB C 69 41.353 41.334 0.019 1
1 806 . 16 1 1 A 69 69 ASP N N 69 127.151 127.800 -0.649 1
1 807 . 16 1 1 A 70 70 GLU H H 70 7.857 8.993 -1.136 1
1 808 . 16 1 1 A 70 70 GLU HA H 70 4.563 4.614 -0.051 1
1 813 . 16 1 1 A 70 70 GLU C C 70 176.179 176.469 -0.290 1
1 814 . 16 1 1 A 70 70 GLU CA C 70 56.333 55.150 1.183 1
1 815 . 16 1 1 A 70 70 GLU CB C 70 31.503 31.546 -0.043 1
1 817 . 16 1 1 A 70 70 GLU N N 70 123.503 126.808 -3.305 1
1 818 . 16 1 1 A 71 71 LYS H H 71 8.517 8.551 -0.034 1
1 819 . 16 1 1 A 71 71 LYS HA H 71 4.261 4.539 -0.278 1
1 828 . 16 1 1 A 71 71 LYS C C 71 175.084 175.847 -0.763 1
1 829 . 16 1 1 A 71 71 LYS CA C 71 55.210 56.392 -1.182 1
1 830 . 16 1 1 A 71 71 LYS CB C 71 33.019 33.971 -0.952 1
1 834 . 16 1 1 A 71 71 LYS N N 71 124.197 122.884 1.313 1
1 835 . 16 1 1 A 72 72 VAL H H 72 8.612 8.201 0.411 1
1 836 . 16 1 1 A 72 72 VAL HA H 72 4.277 5.068 -0.791 1
1 844 . 16 1 1 A 72 72 VAL C C 72 176.529 174.864 1.665 1
1 845 . 16 1 1 A 72 72 VAL CA C 72 63.133 60.669 2.464 1
1 846 . 16 1 1 A 72 72 VAL CB C 72 32.188 34.589 -2.401 1
1 849 . 16 1 1 A 72 72 VAL N N 72 119.616 119.778 -0.162 1
1 850 . 16 1 1 A 73 73 GLU H H 73 7.750 8.998 -1.248 1
1 851 . 16 1 1 A 73 73 GLU HA H 73 4.469 4.963 -0.494 1
1 856 . 16 1 1 A 73 73 GLU C C 73 178.456 174.405 4.051 1
1 857 . 16 1 1 A 73 73 GLU CA C 73 55.241 54.626 0.615 1
1 858 . 16 1 1 A 73 73 GLU CB C 73 34.536 33.442 1.094 1
1 860 . 16 1 1 A 73 73 GLU N N 73 126.126 127.695 -1.569 1
1 861 . 16 1 1 A 74 74 LEU H H 74 8.495 9.234 -0.739 1
1 862 . 16 1 1 A 74 74 LEU HA H 74 5.207 4.938 0.269 1
1 869 . 16 1 1 A 74 74 LEU C C 74 176.827 176.509 0.318 1
1 870 . 16 1 1 A 74 74 LEU CA C 74 52.600 53.658 -1.058 1
1 871 . 16 1 1 A 74 74 LEU CB C 74 45.404 41.998 3.406 1
1 874 . 16 1 1 A 74 74 LEU N N 74 123.821 127.769 -3.948 1
1 875 . 16 1 1 A 75 75 GLU H H 75 8.770 8.304 0.466 1
1 876 . 16 1 1 A 75 75 GLU HA H 75 5.127 4.188 0.939 1
1 881 . 16 1 1 A 75 75 GLU C C 75 176.617 175.750 0.867 1
1 882 . 16 1 1 A 75 75 GLU CA C 75 53.748 56.242 -2.494 1
1 883 . 16 1 1 A 75 75 GLU CB C 75 33.910 30.419 3.491 1
1 885 . 16 1 1 A 75 75 GLU N N 75 118.723 124.842 -6.119 1
1 886 . 16 1 1 A 76 76 CYS H H 76 9.354 8.394 0.960 1
1 887 . 16 1 1 A 76 76 CYS HA H 76 4.665 4.550 0.115 1
1 890 . 16 1 1 A 76 76 CYS C C 76 173.085 175.810 -2.725 1
1 891 . 16 1 1 A 76 76 CYS CA C 76 59.386 58.971 0.415 1
1 892 . 16 1 1 A 76 76 CYS CB C 76 32.476 28.894 3.582 1
1 893 . 16 1 1 A 76 76 CYS N N 76 128.378 121.766 6.612 1
1 894 . 16 1 1 A 77 77 LYS H H 77 9.328 8.821 0.507 1
1 895 . 16 1 1 A 77 77 LYS HA H 77 4.279 3.998 0.281 1
1 904 . 16 1 1 A 77 77 LYS C C 77 174.709 177.017 -2.308 1
1 905 . 16 1 1 A 77 77 LYS CA C 77 56.997 59.399 -2.402 1
1 906 . 16 1 1 A 77 77 LYS CB C 77 31.240 32.596 -1.356 1
1 910 . 16 1 1 A 77 77 LYS N N 77 129.264 126.825 2.439 1
1 911 . 16 1 1 A 78 78 ASP H H 78 9.182 8.163 1.019 1
1 912 . 16 1 1 A 78 78 ASP HA H 78 4.945 4.884 0.061 1
1 915 . 16 1 1 A 78 78 ASP C C 78 173.961 174.541 -0.580 1
1 916 . 16 1 1 A 78 78 ASP CA C 78 56.797 52.757 4.040 1
1 917 . 16 1 1 A 78 78 ASP CB C 78 42.214 41.199 1.015 1
1 918 . 16 1 1 A 78 78 ASP N N 78 122.206 117.099 5.107 1
1 919 . 16 1 1 A 79 79 CYS H H 79 9.871 7.958 1.913 1
1 920 . 16 1 1 A 79 79 CYS HA H 79 5.165 4.819 0.346 1
1 923 . 16 1 1 A 79 79 CYS C C 79 174.253 172.680 1.573 1
1 924 . 16 1 1 A 79 79 CYS CA C 79 59.123 57.661 1.462 1
1 925 . 16 1 1 A 79 79 CYS CB C 79 32.286 30.649 1.637 1
1 926 . 16 1 1 A 79 79 CYS N N 79 124.020 122.854 1.166 1
1 927 . 16 1 1 A 80 80 SER H H 80 7.667 8.675 -1.008 1
1 928 . 16 1 1 A 80 80 SER HA H 80 4.564 4.877 -0.313 1
1 931 . 16 1 1 A 80 80 SER C C 80 178.621 173.673 4.948 1
1 932 . 16 1 1 A 80 80 SER CA C 80 62.038 57.322 4.716 1
1 933 . 16 1 1 A 80 80 SER CB C 80 62.215 64.482 -2.267 1
1 934 . 16 1 1 A 80 80 SER N N 80 115.904 115.496 0.408 1
1 935 . 16 1 1 A 81 81 HIS H H 81 8.916 7.593 1.323 1
1 936 . 16 1 1 A 81 81 HIS HA H 81 4.649 5.016 -0.367 1
1 941 . 16 1 1 A 81 81 HIS C C 81 178.299 173.203 5.096 1
1 942 . 16 1 1 A 81 81 HIS CA C 81 58.348 54.953 3.395 1
1 943 . 16 1 1 A 81 81 HIS CB C 81 33.016 33.462 -0.446 1
1 946 . 16 1 1 A 81 81 HIS N N 81 125.397 120.751 4.646 1
1 949 . 16 1 1 A 82 82 VAL H H 82 7.058 8.052 -0.994 1
1 950 . 16 1 1 A 82 82 VAL HA H 82 5.212 4.854 0.358 1
1 958 . 16 1 1 A 82 82 VAL C C 82 176.161 173.966 2.195 1
1 959 . 16 1 1 A 82 82 VAL CA C 82 60.567 59.481 1.086 1
1 960 . 16 1 1 A 82 82 VAL CB C 82 34.355 35.941 -1.586 1
1 963 . 16 1 1 A 82 82 VAL N N 82 125.314 119.560 5.754 1
1 964 . 16 1 1 A 83 83 PHE H H 83 8.883 8.440 0.443 1
1 965 . 16 1 1 A 83 83 PHE HA H 83 4.842 5.201 -0.359 1
1 972 . 16 1 1 A 83 83 PHE C C 83 179.687 172.915 6.772 1
1 973 . 16 1 1 A 83 83 PHE CA C 83 55.495 55.402 0.093 1
1 974 . 16 1 1 A 83 83 PHE CB C 83 40.651 41.401 -0.750 1
1 978 . 16 1 1 A 83 83 PHE N N 83 122.377 118.999 3.378 1
1 979 . 16 1 1 A 84 84 LYS H H 84 8.658 8.745 -0.087 1
1 980 . 16 1 1 A 84 84 LYS HA H 84 5.001 4.918 0.083 1
1 989 . 16 1 1 A 84 84 LYS C C 84 176.705 174.979 1.726 1
1 990 . 16 1 1 A 84 84 LYS CA C 84 52.738 54.039 -1.301 1
1 991 . 16 1 1 A 84 84 LYS CB C 84 32.660 33.616 -0.956 1
1 995 . 16 1 1 A 84 84 LYS N N 84 121.116 117.738 3.378 1
1 996 . 16 1 1 A 85 85 PRO HA H 85 4.663 4.837 -0.174 1
1 1003 . 16 1 1 A 85 85 PRO C C 85 174.722 176.007 -1.285 1
1 1004 . 16 1 1 A 85 85 PRO CA C 85 62.633 63.066 -0.433 1
1 1005 . 16 1 1 A 85 85 PRO CB C 85 32.712 31.972 0.740 1
1 1008 . 16 1 1 A 86 86 ASN H H 86 8.983 8.783 0.200 1
1 1009 . 16 1 1 A 86 86 ASN HA H 86 4.704 5.295 -0.591 1
1 1014 . 16 1 1 A 86 86 ASN C C 86 176.576 174.581 1.995 1
1 1015 . 16 1 1 A 86 86 ASN CA C 86 53.552 51.386 2.166 1
1 1016 . 16 1 1 A 86 86 ASN CB C 86 39.208 42.657 -3.449 1
1 1017 . 16 1 1 A 86 86 ASN N N 86 119.549 120.014 -0.465 1
1 1019 . 16 1 1 A 87 87 ALA H H 87 8.122 8.510 -0.388 1
1 1020 . 16 1 1 A 87 87 ALA HA H 87 4.369 4.456 -0.087 1
1 1024 . 16 1 1 A 87 87 ALA C C 87 174.154 178.882 -4.728 1
1 1025 . 16 1 1 A 87 87 ALA CA C 87 52.560 52.730 -0.170 1
1 1026 . 16 1 1 A 87 87 ALA CB C 87 19.660 19.071 0.589 1
1 1027 . 16 1 1 A 87 87 ALA N N 87 122.483 123.277 -0.794 1
1 1028 . 16 1 1 A 88 88 LEU H H 88 8.195 8.677 -0.482 1
1 1029 . 16 1 1 A 88 88 LEU HA H 88 4.192 3.944 0.248 1
1 1039 . 16 1 1 A 88 88 LEU C C 88 174.871 178.600 -3.729 1
1 1040 . 16 1 1 A 88 88 LEU CA C 88 55.691 57.984 -2.293 1
1 1041 . 16 1 1 A 88 88 LEU CB C 88 41.708 41.448 0.260 1
1 1045 . 16 1 1 A 88 88 LEU N N 88 118.730 123.442 -4.712 1
1 1046 . 16 1 1 A 89 89 ASP H H 89 7.902 8.016 -0.114 1
1 1047 . 16 1 1 A 89 89 ASP HA H 89 4.601 4.263 0.338 1
1 1050 . 16 1 1 A 89 89 ASP C C 89 175.940 176.513 -0.573 1
1 1051 . 16 1 1 A 89 89 ASP CA C 89 53.641 56.005 -2.364 1
1 1052 . 16 1 1 A 89 89 ASP CB C 89 40.953 40.316 0.637 1
1 1053 . 16 1 1 A 89 89 ASP N N 89 118.577 119.424 -0.847 1
1 1054 . 16 1 1 A 90 90 TYR H H 90 7.922 7.947 -0.025 1
1 1055 . 16 1 1 A 90 90 TYR HA H 90 4.551 4.847 -0.296 1
1 1062 . 16 1 1 A 90 90 TYR C C 90 175.338 176.701 -1.363 1
1 1063 . 16 1 1 A 90 90 TYR CA C 90 57.505 57.899 -0.394 1
1 1064 . 16 1 1 A 90 90 TYR CB C 90 38.147 38.895 -0.748 1
1 1067 . 16 1 1 A 90 90 TYR N N 90 121.632 116.608 5.024 1
1 1068 . 16 1 1 A 91 91 GLY H H 91 8.313 8.040 0.273 1
1 1069 . 16 1 1 A 91 91 GLY HA2 H 91 3.966 4.016 -0.050 1
1 1070 . 16 1 1 A 91 91 GLY HA3 H 91 3.784 4.019 -0.235 1
1 1071 . 16 1 1 A 91 91 GLY C C 91 178.622 174.360 4.262 1
1 1072 . 16 1 1 A 91 91 GLY CA C 91 45.916 45.624 0.292 1
1 1073 . 16 1 1 A 91 91 GLY N N 91 108.097 109.031 -0.934 1
1 1074 . 16 1 1 A 92 92 VAL H H 92 7.078 7.525 -0.447 1
1 1075 . 16 1 1 A 92 92 VAL HA H 92 4.810 4.259 0.551 1
1 1083 . 16 1 1 A 92 92 VAL C C 92 176.954 175.602 1.352 1
1 1084 . 16 1 1 A 92 92 VAL CA C 92 59.083 61.762 -2.679 1
1 1085 . 16 1 1 A 92 92 VAL CB C 92 35.602 32.777 2.825 1
1 1088 . 16 1 1 A 92 92 VAL N N 92 113.901 118.410 -4.509 1
1 1089 . 16 1 1 A 93 93 CYS H H 93 9.086 8.804 0.282 1
1 1090 . 16 1 1 A 93 93 CYS HA H 93 4.118 4.798 -0.680 1
1 1093 . 16 1 1 A 93 93 CYS C C 93 173.477 175.906 -2.429 1
1 1094 . 16 1 1 A 93 93 CYS CA C 93 60.511 59.886 0.625 1
1 1095 . 16 1 1 A 93 93 CYS CB C 93 31.124 28.781 2.343 1
1 1096 . 16 1 1 A 93 93 CYS N N 93 126.248 123.059 3.189 1
1 1097 . 16 1 1 A 94 94 GLU H H 94 5.667 8.950 -3.283 1
1 1098 . 16 1 1 A 94 94 GLU HA H 94 4.073 3.946 0.127 1
1 1103 . 16 1 1 A 94 94 GLU C C 94 176.973 178.443 -1.470 1
1 1104 . 16 1 1 A 94 94 GLU CA C 94 57.434 59.734 -2.300 1
1 1105 . 16 1 1 A 94 94 GLU CB C 94 28.813 29.232 -0.419 1
1 1107 . 16 1 1 A 94 94 GLU N N 94 126.541 127.322 -0.781 1
1 1108 . 16 1 1 A 95 95 LYS H H 95 9.002 7.157 1.845 1
1 1109 . 16 1 1 A 95 95 LYS HA H 95 4.076 4.155 -0.079 1
1 1118 . 16 1 1 A 95 95 LYS C C 95 174.890 176.624 -1.734 1
1 1119 . 16 1 1 A 95 95 LYS CA C 95 57.782 58.701 -0.919 1
1 1120 . 16 1 1 A 95 95 LYS CB C 95 34.056 32.768 1.288 1
1 1124 . 16 1 1 A 95 95 LYS N N 95 123.753 118.662 5.091 1
1 1125 . 16 1 1 A 96 96 CYS H H 96 9.063 7.460 1.603 1
1 1126 . 16 1 1 A 96 96 CYS HA H 96 4.755 4.572 0.183 1
1 1129 . 16 1 1 A 96 96 CYS C C 96 174.775 173.931 0.844 1
1 1130 . 16 1 1 A 96 96 CYS CA C 96 58.756 57.370 1.386 1
1 1131 . 16 1 1 A 96 96 CYS CB C 96 32.066 29.721 2.345 1
1 1132 . 16 1 1 A 96 96 CYS N N 96 120.699 115.628 5.071 1
1 1133 . 16 1 1 A 97 97 HIS H H 97 7.541 8.569 -1.028 1
1 1134 . 16 1 1 A 97 97 HIS HA H 97 4.474 4.726 -0.252 1
1 1139 . 16 1 1 A 97 97 HIS C C 97 178.193 173.743 4.450 1
1 1140 . 16 1 1 A 97 97 HIS CA C 97 57.481 54.560 2.921 1
1 1141 . 16 1 1 A 97 97 HIS CB C 97 27.126 27.275 -0.149 1
1 1144 . 16 1 1 A 97 97 HIS N N 97 116.676 123.937 -7.261 1
1 1147 . 16 1 1 A 98 98 SER H H 98 8.775 8.225 0.550 1
1 1148 . 16 1 1 A 98 98 SER HA H 98 4.322 5.050 -0.728 1
1 1151 . 16 1 1 A 98 98 SER C C 98 176.432 172.953 3.479 1
1 1152 . 16 1 1 A 98 98 SER CA C 98 58.923 56.337 2.586 1
1 1153 . 16 1 1 A 98 98 SER CB C 98 64.790 65.539 -0.749 1
1 1154 . 16 1 1 A 98 98 SER N N 98 116.989 118.044 -1.055 1
1 1155 . 16 1 1 A 99 99 LYS H H 99 8.567 8.679 -0.112 1
1 1156 . 16 1 1 A 99 99 LYS HA H 99 4.935 4.755 0.180 1
1 1165 . 16 1 1 A 99 99 LYS C C 99 173.648 177.168 -3.520 1
1 1166 . 16 1 1 A 99 99 LYS CA C 99 56.417 55.573 0.844 1
1 1167 . 16 1 1 A 99 99 LYS CB C 99 32.366 32.409 -0.043 1
1 1171 . 16 1 1 A 99 99 LYS N N 99 122.510 124.198 -1.688 1
1 1172 . 16 1 1 A 100 100 ASN H H 100 9.426 8.435 0.991 1
1 1173 . 16 1 1 A 100 100 ASN HA H 100 4.916 4.568 0.348 1
1 1178 . 16 1 1 A 100 100 ASN C C 100 178.498 175.552 2.946 1
1 1179 . 16 1 1 A 100 100 ASN CA C 100 51.999 54.012 -2.013 1
1 1180 . 16 1 1 A 100 100 ASN CB C 100 36.539 37.710 -1.171 1
1 1181 . 16 1 1 A 100 100 ASN N N 100 124.489 118.701 5.788 1
1 1183 . 16 1 1 A 101 101 VAL H H 101 7.627 7.503 0.124 1
1 1184 . 16 1 1 A 101 101 VAL HA H 101 5.329 4.128 1.201 1
1 1192 . 16 1 1 A 101 101 VAL C C 101 175.484 175.795 -0.311 1
1 1193 . 16 1 1 A 101 101 VAL CA C 101 58.253 61.881 -3.628 1
1 1194 . 16 1 1 A 101 101 VAL CB C 101 34.692 32.425 2.267 1
1 1197 . 16 1 1 A 101 101 VAL N N 101 112.585 118.944 -6.359 1
1 1198 . 16 1 1 A 102 102 ILE H H 102 9.032 8.709 0.323 1
1 1199 . 16 1 1 A 102 102 ILE HA H 102 4.671 4.790 -0.119 1
1 1209 . 16 1 1 A 102 102 ILE C C 102 177.283 174.738 2.545 1
1 1210 . 16 1 1 A 102 102 ILE CA C 102 58.979 58.679 0.300 1
1 1211 . 16 1 1 A 102 102 ILE CB C 102 41.970 41.863 0.107 1
1 1215 . 16 1 1 A 102 102 ILE N N 102 119.819 117.935 1.884 1
1 1216 . 16 1 1 A 103 103 ILE H H 103 8.364 8.929 -0.565 1
1 1217 . 16 1 1 A 103 103 ILE HA H 103 4.527 4.132 0.395 1
1 1227 . 16 1 1 A 103 103 ILE C C 103 174.186 176.373 -2.187 1
1 1228 . 16 1 1 A 103 103 ILE CA C 103 61.366 61.397 -0.031 1
1 1229 . 16 1 1 A 103 103 ILE CB C 103 38.577 36.936 1.641 1
1 1233 . 16 1 1 A 103 103 ILE N N 103 123.325 125.232 -1.907 1
1 1234 . 16 1 1 A 104 104 THR H H 104 8.796 8.855 -0.059 1
1 1235 . 16 1 1 A 104 104 THR HA H 104 4.260 4.404 -0.144 1
1 1240 . 16 1 1 A 104 104 THR C C 104 176.317 173.847 2.470 1
1 1241 . 16 1 1 A 104 104 THR CA C 104 62.708 62.880 -0.172 1
1 1242 . 16 1 1 A 104 104 THR CB C 104 68.431 69.943 -1.512 1
1 1244 . 16 1 1 A 104 104 THR N N 104 120.825 122.706 -1.881 1
1 1245 . 16 1 1 A 105 105 GLN H H 105 7.705 7.712 -0.007 1
1 1246 . 16 1 1 A 105 105 GLN HA H 105 4.482 4.577 -0.095 1
1 1253 . 16 1 1 A 105 105 GLN C C 105 177.316 175.300 2.016 1
1 1254 . 16 1 1 A 105 105 GLN CA C 105 55.621 55.525 0.096 1
1 1255 . 16 1 1 A 105 105 GLN CB C 105 31.897 31.525 0.372 1
1 1257 . 16 1 1 A 105 105 GLN N N 105 118.599 120.202 -1.603 1
1 1259 . 16 1 1 A 106 106 GLY H H 106 9.091 8.725 0.366 1
1 1260 . 16 1 1 A 106 106 GLY HA2 H 106 3.472 4.016 -0.544 1
1 1261 . 16 1 1 A 106 106 GLY HA3 H 106 4.255 4.019 0.236 1
1 1262 . 16 1 1 A 106 106 GLY C C 106 178.226 175.499 2.727 1
1 1263 . 16 1 1 A 106 106 GLY CA C 106 45.497 45.662 -0.165 1
1 1264 . 16 1 1 A 106 106 GLY N N 106 106.938 114.706 -7.768 1
1 1265 . 16 1 1 A 107 107 ASN H H 107 8.542 8.241 0.301 1
1 1266 . 16 1 1 A 107 107 ASN HA H 107 4.670 4.433 0.237 1
1 1271 . 16 1 1 A 107 107 ASN C C 107 176.917 175.695 1.222 1
1 1272 . 16 1 1 A 107 107 ASN CA C 107 52.697 55.777 -3.080 1
1 1273 . 16 1 1 A 107 107 ASN CB C 107 39.745 38.965 0.780 1
1 1274 . 16 1 1 A 107 107 ASN N N 107 117.838 117.327 0.511 1
1 1276 . 16 1 1 A 108 108 GLU H H 108 8.050 7.583 0.467 1
1 1277 . 16 1 1 A 108 108 GLU HA H 108 4.638 4.637 0.001 1
1 1282 . 16 1 1 A 108 108 GLU C C 108 176.463 175.334 1.129 1
1 1283 . 16 1 1 A 108 108 GLU CA C 108 55.693 55.104 0.589 1
1 1284 . 16 1 1 A 108 108 GLU CB C 108 32.643 31.970 0.673 1
1 1286 . 16 1 1 A 108 108 GLU N N 108 118.542 113.541 5.001 1
1 1287 . 16 1 1 A 109 109 MET H H 109 8.431 8.522 -0.091 1
1 1288 . 16 1 1 A 109 109 MET HA H 109 5.236 4.402 0.834 1
1 1296 . 16 1 1 A 109 109 MET C C 109 176.443 175.539 0.904 1
1 1297 . 16 1 1 A 109 109 MET CA C 109 54.801 55.186 -0.385 1
1 1298 . 16 1 1 A 109 109 MET CB C 109 33.115 33.853 -0.738 1
1 1301 . 16 1 1 A 109 109 MET N N 109 121.401 119.147 2.254 1
1 1302 . 16 1 1 A 110 110 ARG H H 110 9.166 8.974 0.192 1
1 1303 . 16 1 1 A 110 110 ARG HA H 110 4.771 4.974 -0.203 1
1 1311 . 16 1 1 A 110 110 ARG C C 110 177.215 174.776 2.439 1
1 1312 . 16 1 1 A 110 110 ARG CA C 110 54.826 54.584 0.242 1
1 1313 . 16 1 1 A 110 110 ARG CB C 110 33.474 34.041 -0.567 1
1 1316 . 16 1 1 A 110 110 ARG N N 110 123.271 118.069 5.202 1
1 1318 . 16 1 1 A 111 111 LEU H H 111 8.874 8.528 0.346 1
1 1319 . 16 1 1 A 111 111 LEU HA H 111 4.335 4.436 -0.101 1
1 1329 . 16 1 1 A 111 111 LEU C C 111 175.976 176.925 -0.949 1
1 1330 . 16 1 1 A 111 111 LEU CA C 111 55.633 54.948 0.685 1
1 1331 . 16 1 1 A 111 111 LEU CB C 111 42.413 43.110 -0.697 1
1 1335 . 16 1 1 A 111 111 LEU N N 111 125.212 118.901 6.311 1
1 1336 . 16 1 1 A 112 112 LEU HA H 112 4.432 4.369 0.063 1
1 1346 . 16 1 1 A 112 112 LEU C C 112 173.898 176.676 -2.778 1
1 1347 . 16 1 1 A 112 112 LEU CA C 112 56.230 55.984 0.246 1
1 1348 . 16 1 1 A 112 112 LEU CB C 112 42.688 42.786 -0.098 1
1 1352 . 16 1 1 A 113 113 SER H H 113 7.895 7.581 0.314 1
1 1353 . 16 1 1 A 113 113 SER HA H 113 4.509 4.812 -0.303 1
1 1356 . 16 1 1 A 113 113 SER C C 113 180.240 172.256 7.984 1
1 1357 . 16 1 1 A 113 113 SER CA C 113 58.129 57.693 0.436 1
1 1358 . 16 1 1 A 113 113 SER CB C 113 64.473 67.654 -3.181 1
1 1359 . 16 1 1 A 113 113 SER N N 113 110.894 110.375 0.519 1
1 1360 . 16 1 1 A 114 114 LEU H H 114 8.151 8.585 -0.434 1
1 1361 . 16 1 1 A 114 114 LEU HA H 114 5.086 5.143 -0.057 1
1 1371 . 16 1 1 A 114 114 LEU C C 114 175.777 175.632 0.145 1
1 1372 . 16 1 1 A 114 114 LEU CA C 114 53.830 53.221 0.609 1
1 1373 . 16 1 1 A 114 114 LEU CB C 114 46.471 45.534 0.937 1
1 1377 . 16 1 1 A 114 114 LEU N N 114 120.671 122.747 -2.076 1
1 1378 . 16 1 1 A 115 115 GLU H H 115 8.666 8.480 0.186 1
1 1379 . 16 1 1 A 115 115 GLU HA H 115 4.823 5.184 -0.361 1
1 1384 . 16 1 1 A 115 115 GLU C C 115 175.727 174.714 1.013 1
1 1385 . 16 1 1 A 115 115 GLU CA C 115 55.127 54.807 0.320 1
1 1386 . 16 1 1 A 115 115 GLU CB C 115 31.063 33.319 -2.256 1
1 1388 . 16 1 1 A 115 115 GLU N N 115 122.105 122.000 0.105 1
1 1389 . 16 1 1 A 116 116 MET H H 116 9.159 8.705 0.454 1
1 1390 . 16 1 1 A 116 116 MET HA H 116 4.989 5.244 -0.255 1
1 1398 . 16 1 1 A 116 116 MET C C 116 177.447 174.600 2.847 1
1 1399 . 16 1 1 A 116 116 MET CA C 116 54.669 54.712 -0.043 1
1 1400 . 16 1 1 A 116 116 MET CB C 116 36.107 36.289 -0.182 1
1 1403 . 16 1 1 A 116 116 MET N N 116 123.947 124.422 -0.475 1
1 1404 . 16 1 1 A 117 117 LEU H H 117 8.573 8.796 -0.223 1
1 1405 . 16 1 1 A 117 117 LEU HA H 117 4.670 4.874 -0.204 1
1 1412 . 16 1 1 A 117 117 LEU C C 117 175.990 176.965 -0.975 1
1 1413 . 16 1 1 A 117 117 LEU CA C 117 54.549 53.529 1.020 1
1 1414 . 16 1 1 A 117 117 LEU CB C 117 44.045 45.259 -1.214 1
1 1417 . 16 1 1 A 117 117 LEU N N 117 122.478 124.709 -2.231 1
1 1418 . 16 1 1 A 118 118 ALA H H 118 8.714 8.949 -0.235 1
1 1419 . 16 1 1 A 118 118 ALA HA H 118 4.604 4.095 0.509 1
1 1423 . 16 1 1 A 118 118 ALA C C 118 175.279 179.602 -4.323 1
1 1424 . 16 1 1 A 118 118 ALA CA C 118 52.155 55.468 -3.313 1
1 1425 . 16 1 1 A 118 118 ALA CB C 118 20.444 18.645 1.799 1
1 1426 . 16 1 1 A 118 118 ALA N N 118 127.701 124.019 3.682 1
1 4 . 17 1 1 A 2 2 SER HA H 2 4.544 4.592 -0.048 1
1 7 . 17 1 1 A 2 2 SER CA C 2 58.424 57.964 0.460 1
1 8 . 17 1 1 A 2 2 SER CB C 2 64.017 61.404 2.613 1
1 13 . 17 1 1 A 4 4 HIS HA H 4 4.504 4.096 0.408 1
1 17 . 17 1 1 A 4 4 HIS C C 4 175.043 176.749 -1.706 1
1 18 . 17 1 1 A 4 4 HIS CA C 4 58.574 60.678 -2.104 1
1 19 . 17 1 1 A 4 4 HIS CB C 4 30.859 30.339 0.520 1
1 20 . 17 1 1 A 5 5 GLU H H 5 10.002 9.019 0.983 1
1 21 . 17 1 1 A 5 5 GLU HA H 5 3.831 3.987 -0.156 1
1 26 . 17 1 1 A 5 5 GLU C C 5 173.758 176.717 -2.959 1
1 27 . 17 1 1 A 5 5 GLU CA C 5 61.822 58.315 3.507 1
1 28 . 17 1 1 A 5 5 GLU CB C 5 28.884 28.039 0.845 1
1 30 . 17 1 1 A 5 5 GLU N N 5 120.850 116.908 3.942 1
1 31 . 17 1 1 A 6 6 TYR H H 6 8.163 7.420 0.743 1
1 32 . 17 1 1 A 6 6 TYR HA H 6 4.066 4.690 -0.624 1
1 39 . 17 1 1 A 6 6 TYR C C 6 173.754 176.436 -2.682 1
1 40 . 17 1 1 A 6 6 TYR CA C 6 61.029 57.645 3.384 1
1 41 . 17 1 1 A 6 6 TYR CB C 6 37.391 38.684 -1.293 1
1 44 . 17 1 1 A 6 6 TYR N N 6 117.171 118.885 -1.714 1
1 45 . 17 1 1 A 7 7 SER H H 7 7.929 7.928 0.001 1
1 46 . 17 1 1 A 7 7 SER HA H 7 4.265 4.110 0.155 1
1 49 . 17 1 1 A 7 7 SER C C 7 174.434 177.221 -2.787 1
1 50 . 17 1 1 A 7 7 SER CA C 7 61.471 61.762 -0.291 1
1 51 . 17 1 1 A 7 7 SER CB C 7 62.686 63.114 -0.428 1
1 52 . 17 1 1 A 7 7 SER N N 7 116.417 117.676 -1.259 1
1 53 . 17 1 1 A 8 8 VAL H H 8 8.088 7.959 0.129 1
1 54 . 17 1 1 A 8 8 VAL HA H 8 3.795 3.742 0.053 1
1 62 . 17 1 1 A 8 8 VAL C C 8 172.652 178.273 -5.621 1
1 63 . 17 1 1 A 8 8 VAL CA C 8 66.036 67.003 -0.967 1
1 64 . 17 1 1 A 8 8 VAL CB C 8 31.811 31.497 0.314 1
1 67 . 17 1 1 A 8 8 VAL N N 8 122.514 120.239 2.275 1
1 68 . 17 1 1 A 9 9 VAL H H 9 8.255 8.327 -0.072 1
1 69 . 17 1 1 A 9 9 VAL HA H 9 3.539 3.626 -0.087 1
1 77 . 17 1 1 A 9 9 VAL C C 9 174.142 178.083 -3.941 1
1 78 . 17 1 1 A 9 9 VAL CA C 9 67.201 67.074 0.127 1
1 79 . 17 1 1 A 9 9 VAL CB C 9 30.859 31.689 -0.830 1
1 82 . 17 1 1 A 9 9 VAL N N 9 120.829 120.592 0.237 1
1 83 . 17 1 1 A 10 10 SER H H 10 8.179 8.215 -0.036 1
1 84 . 17 1 1 A 10 10 SER HA H 10 3.726 3.919 -0.193 1
1 87 . 17 1 1 A 10 10 SER C C 10 173.669 177.285 -3.616 1
1 88 . 17 1 1 A 10 10 SER CA C 10 62.397 61.526 0.871 1
1 89 . 17 1 1 A 10 10 SER CB C 10 62.470 62.756 -0.286 1
1 90 . 17 1 1 A 10 10 SER N N 10 115.937 115.288 0.649 1
1 91 . 17 1 1 A 11 11 SER H H 11 7.860 8.155 -0.295 1
1 92 . 17 1 1 A 11 11 SER HA H 11 4.312 4.106 0.206 1
1 95 . 17 1 1 A 11 11 SER C C 11 174.888 176.042 -1.154 1
1 96 . 17 1 1 A 11 11 SER CA C 11 61.863 62.416 -0.553 1
1 97 . 17 1 1 A 11 11 SER CB C 11 62.638 62.911 -0.273 1
1 98 . 17 1 1 A 11 11 SER N N 11 117.940 117.070 0.870 1
1 99 . 17 1 1 A 12 12 LEU H H 12 8.197 8.426 -0.229 1
1 100 . 17 1 1 A 12 12 LEU HA H 12 4.331 3.947 0.384 1
1 110 . 17 1 1 A 12 12 LEU C C 12 172.791 179.015 -6.224 1
1 111 . 17 1 1 A 12 12 LEU CA C 12 58.035 58.369 -0.334 1
1 112 . 17 1 1 A 12 12 LEU CB C 12 42.062 42.181 -0.119 1
1 116 . 17 1 1 A 12 12 LEU N N 12 125.411 120.817 4.594 1
1 117 . 17 1 1 A 13 13 ILE H H 13 8.689 8.047 0.642 1
1 118 . 17 1 1 A 13 13 ILE HA H 13 3.654 3.686 -0.032 1
1 128 . 17 1 1 A 13 13 ILE C C 13 173.945 178.026 -4.081 1
1 129 . 17 1 1 A 13 13 ILE CA C 13 65.287 65.827 -0.540 1
1 130 . 17 1 1 A 13 13 ILE CB C 13 36.843 37.795 -0.952 1
1 134 . 17 1 1 A 13 13 ILE N N 13 121.352 118.694 2.658 1
1 135 . 17 1 1 A 14 14 ALA H H 14 7.692 8.606 -0.914 1
1 136 . 17 1 1 A 14 14 ALA HA H 14 4.218 4.018 0.200 1
1 140 . 17 1 1 A 14 14 ALA C C 14 170.805 180.124 -9.319 1
1 141 . 17 1 1 A 14 14 ALA CA C 14 55.484 55.165 0.319 1
1 142 . 17 1 1 A 14 14 ALA CB C 14 17.698 18.070 -0.372 1
1 143 . 17 1 1 A 14 14 ALA N N 14 121.374 122.595 -1.221 1
1 144 . 17 1 1 A 15 15 LEU H H 15 8.040 8.194 -0.154 1
1 145 . 17 1 1 A 15 15 LEU HA H 15 4.253 3.935 0.318 1
1 152 . 17 1 1 A 15 15 LEU C C 15 171.818 178.600 -6.782 1
1 153 . 17 1 1 A 15 15 LEU CA C 15 58.208 57.657 0.551 1
1 154 . 17 1 1 A 15 15 LEU CB C 15 42.286 41.410 0.876 1
1 157 . 17 1 1 A 15 15 LEU N N 15 121.328 119.776 1.552 1
1 158 . 17 1 1 A 16 16 CYS H H 16 8.587 8.485 0.102 1
1 159 . 17 1 1 A 16 16 CYS HA H 16 3.954 4.110 -0.156 1
1 162 . 17 1 1 A 16 16 CYS C C 16 174.494 177.124 -2.630 1
1 163 . 17 1 1 A 16 16 CYS CA C 16 64.933 63.539 1.394 1
1 164 . 17 1 1 A 16 16 CYS CB C 16 26.960 26.688 0.272 1
1 165 . 17 1 1 A 16 16 CYS N N 16 118.908 117.922 0.986 1
1 166 . 17 1 1 A 17 17 GLU H H 17 8.576 8.259 0.317 1
1 167 . 17 1 1 A 17 17 GLU HA H 17 3.806 3.973 -0.167 1
1 172 . 17 1 1 A 17 17 GLU C C 17 172.225 179.094 -6.869 1
1 173 . 17 1 1 A 17 17 GLU CA C 17 60.306 59.838 0.468 1
1 174 . 17 1 1 A 17 17 GLU CB C 17 29.130 29.081 0.049 1
1 176 . 17 1 1 A 17 17 GLU N N 17 118.419 121.209 -2.790 1
1 177 . 17 1 1 A 18 18 GLU H H 18 8.156 8.282 -0.126 1
1 178 . 17 1 1 A 18 18 GLU HA H 18 4.115 4.059 0.056 1
1 183 . 17 1 1 A 18 18 GLU C C 18 172.241 179.200 -6.959 1
1 184 . 17 1 1 A 18 18 GLU CA C 18 59.507 59.268 0.239 1
1 185 . 17 1 1 A 18 18 GLU CB C 18 29.335 29.248 0.087 1
1 187 . 17 1 1 A 18 18 GLU N N 18 121.603 119.447 2.156 1
1 188 . 17 1 1 A 19 19 HIS H H 19 8.379 7.675 0.704 1
1 189 . 17 1 1 A 19 19 HIS HA H 19 4.174 4.299 -0.125 1
1 194 . 17 1 1 A 19 19 HIS C C 19 172.511 177.905 -5.394 1
1 195 . 17 1 1 A 19 19 HIS CA C 19 60.525 59.860 0.665 1
1 196 . 17 1 1 A 19 19 HIS CB C 19 31.354 29.948 1.406 1
1 198 . 17 1 1 A 19 19 HIS N N 19 119.634 118.624 1.010 1
1 201 . 17 1 1 A 20 20 ALA H H 20 8.568 8.582 -0.014 1
1 202 . 17 1 1 A 20 20 ALA HA H 20 4.143 3.879 0.264 1
1 206 . 17 1 1 A 20 20 ALA C C 20 172.155 179.353 -7.198 1
1 207 . 17 1 1 A 20 20 ALA CA C 20 55.716 55.228 0.488 1
1 208 . 17 1 1 A 20 20 ALA CB C 20 17.682 18.353 -0.671 1
1 209 . 17 1 1 A 20 20 ALA N N 20 122.453 122.868 -0.415 1
1 210 . 17 1 1 A 21 21 LYS H H 21 8.055 7.915 0.140 1
1 211 . 17 1 1 A 21 21 LYS HA H 21 4.128 3.600 0.528 1
1 220 . 17 1 1 A 21 21 LYS C C 21 170.753 178.591 -7.838 1
1 221 . 17 1 1 A 21 21 LYS CA C 21 59.469 59.100 0.369 1
1 222 . 17 1 1 A 21 21 LYS CB C 21 32.369 32.031 0.338 1
1 226 . 17 1 1 A 21 21 LYS N N 21 118.604 116.119 2.485 1
1 227 . 17 1 1 A 22 22 LYS H H 22 8.092 7.329 0.763 1
1 228 . 17 1 1 A 22 22 LYS HA H 22 4.100 4.093 0.007 1
1 237 . 17 1 1 A 22 22 LYS C C 22 174.300 178.087 -3.787 1
1 238 . 17 1 1 A 22 22 LYS CA C 22 58.920 59.194 -0.274 1
1 239 . 17 1 1 A 22 22 LYS CB C 22 32.406 32.186 0.220 1
1 243 . 17 1 1 A 22 22 LYS N N 22 119.468 119.449 0.019 1
1 244 . 17 1 1 A 23 23 ASN H H 23 7.461 8.045 -0.584 1
1 245 . 17 1 1 A 23 23 ASN HA H 23 4.710 4.774 -0.064 1
1 248 . 17 1 1 A 23 23 ASN C C 23 178.526 174.781 3.745 1
1 249 . 17 1 1 A 23 23 ASN CA C 23 53.514 53.323 0.191 1
1 250 . 17 1 1 A 23 23 ASN CB C 23 40.124 38.957 1.167 1
1 251 . 17 1 1 A 23 23 ASN N N 23 115.166 116.977 -1.811 1
1 252 . 17 1 1 A 24 24 GLN H H 24 7.879 7.856 0.023 1
1 253 . 17 1 1 A 24 24 GLN HA H 24 3.927 3.929 -0.002 1
1 260 . 17 1 1 A 24 24 GLN C C 24 177.284 175.464 1.820 1
1 261 . 17 1 1 A 24 24 GLN CA C 24 57.083 56.844 0.239 1
1 262 . 17 1 1 A 24 24 GLN CB C 24 26.400 26.009 0.391 1
1 264 . 17 1 1 A 24 24 GLN N N 24 116.046 116.429 -0.383 1
1 266 . 17 1 1 A 25 25 ALA H H 25 8.491 8.143 0.348 1
1 267 . 17 1 1 A 25 25 ALA HA H 25 4.600 4.267 0.333 1
1 271 . 17 1 1 A 25 25 ALA C C 25 174.729 177.705 -2.976 1
1 272 . 17 1 1 A 25 25 ALA CA C 25 51.416 54.409 -2.993 1
1 273 . 17 1 1 A 25 25 ALA CB C 25 21.350 19.493 1.857 1
1 274 . 17 1 1 A 25 25 ALA N N 25 120.372 120.457 -0.085 1
1 275 . 17 1 1 A 26 26 HIS H H 26 8.476 7.546 0.930 1
1 276 . 17 1 1 A 26 26 HIS HA H 26 4.736 4.187 0.549 1
1 280 . 17 1 1 A 26 26 HIS C C 26 176.751 173.825 2.926 1
1 281 . 17 1 1 A 26 26 HIS CA C 26 56.211 57.015 -0.804 1
1 282 . 17 1 1 A 26 26 HIS CB C 26 31.838 26.947 4.891 1
1 284 . 17 1 1 A 26 26 HIS N N 26 117.648 112.750 4.898 1
1 285 . 17 1 1 A 27 27 LYS H H 27 7.540 7.499 0.041 1
1 286 . 17 1 1 A 27 27 LYS HA H 27 4.766 4.907 -0.141 1
1 295 . 17 1 1 A 27 27 LYS C C 27 176.918 174.765 2.153 1
1 296 . 17 1 1 A 27 27 LYS CA C 27 55.877 54.832 1.045 1
1 297 . 17 1 1 A 27 27 LYS CB C 27 36.796 37.088 -0.292 1
1 301 . 17 1 1 A 27 27 LYS N N 27 116.451 117.356 -0.905 1
1 302 . 17 1 1 A 28 28 ILE H H 28 8.320 8.804 -0.484 1
1 303 . 17 1 1 A 28 28 ILE HA H 28 4.319 4.933 -0.614 1
1 310 . 17 1 1 A 28 28 ILE C C 28 176.921 175.603 1.318 1
1 311 . 17 1 1 A 28 28 ILE CA C 28 60.552 59.614 0.938 1
1 312 . 17 1 1 A 28 28 ILE CB C 28 38.843 41.616 -2.773 1
1 313 . 17 1 1 A 28 28 ILE N N 28 123.140 122.092 1.048 1
1 314 . 17 1 1 A 29 29 GLU H H 29 9.001 9.472 -0.471 1
1 315 . 17 1 1 A 29 29 GLU HA H 29 4.446 4.484 -0.038 1
1 320 . 17 1 1 A 29 29 GLU C C 29 174.406 176.412 -2.006 1
1 321 . 17 1 1 A 29 29 GLU CA C 29 57.363 57.998 -0.635 1
1 322 . 17 1 1 A 29 29 GLU CB C 29 31.761 31.132 0.629 1
1 324 . 17 1 1 A 29 29 GLU N N 29 125.872 126.117 -0.245 1
1 325 . 17 1 1 A 30 30 ARG H H 30 7.654 7.427 0.227 1
1 326 . 17 1 1 A 30 30 ARG HA H 30 5.282 4.995 0.287 1
1 334 . 17 1 1 A 30 30 ARG C C 30 178.750 173.474 5.276 1
1 335 . 17 1 1 A 30 30 ARG CA C 30 55.558 54.880 0.678 1
1 336 . 17 1 1 A 30 30 ARG CB C 30 34.774 33.365 1.409 1
1 338 . 17 1 1 A 30 30 ARG N N 30 119.436 115.756 3.680 1
1 340 . 17 1 1 A 31 31 VAL H H 31 9.234 8.674 0.560 1
1 341 . 17 1 1 A 31 31 VAL HA H 31 4.397 4.620 -0.223 1
1 349 . 17 1 1 A 31 31 VAL C C 31 178.662 174.931 3.731 1
1 350 . 17 1 1 A 31 31 VAL CA C 31 60.882 61.335 -0.453 1
1 351 . 17 1 1 A 31 31 VAL CB C 31 34.494 34.139 0.355 1
1 354 . 17 1 1 A 31 31 VAL N N 31 127.428 120.180 7.248 1
1 355 . 17 1 1 A 32 32 VAL H H 32 8.626 9.333 -0.707 1
1 356 . 17 1 1 A 32 32 VAL HA H 32 5.039 4.586 0.453 1
1 364 . 17 1 1 A 32 32 VAL C C 32 175.519 175.284 0.235 1
1 365 . 17 1 1 A 32 32 VAL CA C 32 60.917 62.362 -1.445 1
1 366 . 17 1 1 A 32 32 VAL CB C 32 31.892 31.588 0.304 1
1 368 . 17 1 1 A 32 32 VAL N N 32 126.581 128.445 -1.864 1
1 369 . 17 1 1 A 33 33 VAL H H 33 8.802 9.157 -0.355 1
1 370 . 17 1 1 A 33 33 VAL HA H 33 4.917 4.631 0.286 1
1 378 . 17 1 1 A 33 33 VAL C C 33 178.038 174.963 3.075 1
1 379 . 17 1 1 A 33 33 VAL CA C 33 58.975 60.706 -1.731 1
1 380 . 17 1 1 A 33 33 VAL CB C 33 35.109 35.216 -0.107 1
1 383 . 17 1 1 A 33 33 VAL N N 33 122.994 127.943 -4.949 1
1 384 . 17 1 1 A 34 34 GLY H H 34 9.535 9.294 0.241 1
1 385 . 17 1 1 A 34 34 GLY HA2 H 34 5.187 4.173 1.014 1
1 386 . 17 1 1 A 34 34 GLY HA3 H 34 3.404 4.178 -0.774 1
1 387 . 17 1 1 A 34 34 GLY C C 34 178.060 172.155 5.905 1
1 388 . 17 1 1 A 34 34 GLY CA C 34 44.108 44.550 -0.442 1
1 389 . 17 1 1 A 34 34 GLY N N 34 112.269 115.340 -3.071 1
1 390 . 17 1 1 A 35 35 ILE H H 35 8.761 9.569 -0.808 1
1 391 . 17 1 1 A 35 35 ILE HA H 35 4.340 4.661 -0.321 1
1 401 . 17 1 1 A 35 35 ILE C C 35 174.823 176.116 -1.293 1
1 402 . 17 1 1 A 35 35 ILE CA C 35 60.287 59.385 0.902 1
1 403 . 17 1 1 A 35 35 ILE CB C 35 39.357 40.993 -1.636 1
1 407 . 17 1 1 A 35 35 ILE N N 35 123.848 125.558 -1.710 1
1 408 . 17 1 1 A 36 36 GLY H H 36 8.439 8.663 -0.224 1
1 409 . 17 1 1 A 36 36 GLY HA2 H 36 3.321 4.095 -0.774 1
1 410 . 17 1 1 A 36 36 GLY HA3 H 36 4.444 4.098 0.346 1
1 411 . 17 1 1 A 36 36 GLY C C 36 175.743 174.813 0.930 1
1 412 . 17 1 1 A 36 36 GLY CA C 36 46.389 45.635 0.754 1
1 413 . 17 1 1 A 36 36 GLY N N 36 117.219 114.456 2.763 1
1 414 . 17 1 1 A 37 37 GLU H H 37 8.756 8.874 -0.118 1
1 415 . 17 1 1 A 37 37 GLU HA H 37 4.277 4.117 0.160 1
1 420 . 17 1 1 A 37 37 GLU C C 37 174.413 176.888 -2.475 1
1 421 . 17 1 1 A 37 37 GLU CA C 37 58.568 58.414 0.154 1
1 422 . 17 1 1 A 37 37 GLU CB C 37 29.809 29.023 0.786 1
1 424 . 17 1 1 A 37 37 GLU N N 37 124.260 120.769 3.491 1
1 425 . 17 1 1 A 38 38 ARG H H 38 8.483 7.797 0.686 1
1 426 . 17 1 1 A 38 38 ARG HA H 38 4.594 4.597 -0.003 1
1 434 . 17 1 1 A 38 38 ARG C C 38 175.250 176.589 -1.339 1
1 435 . 17 1 1 A 38 38 ARG CA C 38 54.916 55.691 -0.775 1
1 436 . 17 1 1 A 38 38 ARG CB C 38 29.706 30.659 -0.953 1
1 439 . 17 1 1 A 38 38 ARG N N 38 117.248 119.843 -2.595 1
1 441 . 17 1 1 A 39 39 SER H H 39 7.630 7.676 -0.046 1
1 442 . 17 1 1 A 39 39 SER HA H 39 4.139 4.218 -0.079 1
1 445 . 17 1 1 A 39 39 SER C C 39 176.694 174.839 1.855 1
1 446 . 17 1 1 A 39 39 SER CA C 39 59.524 60.921 -1.397 1
1 447 . 17 1 1 A 39 39 SER CB C 39 64.248 64.111 0.137 1
1 448 . 17 1 1 A 39 39 SER N N 39 115.086 114.627 0.459 1
1 449 . 17 1 1 A 40 40 ALA H H 40 8.667 7.945 0.722 1
1 450 . 17 1 1 A 40 40 ALA HA H 40 4.267 3.999 0.268 1
1 454 . 17 1 1 A 40 40 ALA C C 40 174.406 176.217 -1.811 1
1 455 . 17 1 1 A 40 40 ALA CA C 40 52.641 53.699 -1.058 1
1 456 . 17 1 1 A 40 40 ALA CB C 40 17.976 18.119 -0.143 1
1 457 . 17 1 1 A 40 40 ALA N N 40 126.133 121.152 4.981 1
1 458 . 17 1 1 A 41 41 MET H H 41 7.793 7.611 0.182 1
1 459 . 17 1 1 A 41 41 MET HA H 41 4.389 4.677 -0.288 1
1 467 . 17 1 1 A 41 41 MET C C 41 176.689 175.259 1.430 1
1 468 . 17 1 1 A 41 41 MET CA C 41 55.965 54.386 1.579 1
1 469 . 17 1 1 A 41 41 MET CB C 41 34.761 33.173 1.588 1
1 472 . 17 1 1 A 41 41 MET N N 41 117.758 117.117 0.641 1
1 473 . 17 1 1 A 42 42 ASP H H 42 9.667 8.610 1.057 1
1 474 . 17 1 1 A 42 42 ASP HA H 42 4.706 4.683 0.023 1
1 477 . 17 1 1 A 42 42 ASP C C 42 174.559 176.861 -2.302 1
1 478 . 17 1 1 A 42 42 ASP CA C 42 53.363 53.516 -0.153 1
1 479 . 17 1 1 A 42 42 ASP CB C 42 41.740 40.519 1.221 1
1 480 . 17 1 1 A 42 42 ASP N N 42 125.565 123.111 2.454 1
1 481 . 17 1 1 A 43 43 LYS H H 43 8.928 8.584 0.344 1
1 482 . 17 1 1 A 43 43 LYS HA H 43 3.752 4.116 -0.364 1
1 491 . 17 1 1 A 43 43 LYS C C 43 173.737 178.667 -4.930 1
1 492 . 17 1 1 A 43 43 LYS CA C 43 60.966 59.213 1.753 1
1 493 . 17 1 1 A 43 43 LYS CB C 43 32.585 32.054 0.531 1
1 497 . 17 1 1 A 43 43 LYS N N 43 127.256 125.781 1.475 1
1 498 . 17 1 1 A 44 44 SER H H 44 8.327 7.533 0.794 1
1 499 . 17 1 1 A 44 44 SER HA H 44 4.009 4.312 -0.303 1
1 502 . 17 1 1 A 44 44 SER C C 44 174.032 177.562 -3.530 1
1 503 . 17 1 1 A 44 44 SER CA C 44 62.461 61.172 1.289 1
1 504 . 17 1 1 A 44 44 SER CB C 44 62.281 62.819 -0.538 1
1 505 . 17 1 1 A 44 44 SER N N 44 114.797 115.221 -0.424 1
1 506 . 17 1 1 A 45 45 LEU H H 45 7.878 8.303 -0.425 1
1 507 . 17 1 1 A 45 45 LEU HA H 45 4.254 4.109 0.145 1
1 517 . 17 1 1 A 45 45 LEU C C 45 172.915 179.006 -6.091 1
1 518 . 17 1 1 A 45 45 LEU CA C 45 57.128 58.486 -1.358 1
1 519 . 17 1 1 A 45 45 LEU CB C 45 41.738 41.888 -0.150 1
1 523 . 17 1 1 A 45 45 LEU N N 45 124.570 122.838 1.732 1
1 524 . 17 1 1 A 46 46 PHE H H 46 8.343 8.443 -0.100 1
1 525 . 17 1 1 A 46 46 PHE HA H 46 3.882 4.199 -0.317 1
1 532 . 17 1 1 A 46 46 PHE C C 46 175.104 177.347 -2.243 1
1 533 . 17 1 1 A 46 46 PHE CA C 46 61.820 61.781 0.039 1
1 534 . 17 1 1 A 46 46 PHE CB C 46 40.047 39.242 0.805 1
1 537 . 17 1 1 A 46 46 PHE N N 46 121.059 119.422 1.637 1
1 538 . 17 1 1 A 47 47 VAL H H 47 8.370 8.080 0.290 1
1 539 . 17 1 1 A 47 47 VAL HA H 47 3.466 3.630 -0.164 1
1 547 . 17 1 1 A 47 47 VAL C C 47 173.353 177.827 -4.474 1
1 548 . 17 1 1 A 47 47 VAL CA C 47 67.220 64.730 2.490 1
1 549 . 17 1 1 A 47 47 VAL CB C 47 31.927 31.233 0.694 1
1 552 . 17 1 1 A 47 47 VAL N N 47 118.023 119.338 -1.315 1
1 553 . 17 1 1 A 48 48 SER H H 48 7.967 8.160 -0.193 1
1 554 . 17 1 1 A 48 48 SER HA H 48 4.268 4.098 0.170 1
1 557 . 17 1 1 A 48 48 SER C C 48 174.187 177.092 -2.905 1
1 558 . 17 1 1 A 48 48 SER CA C 48 61.789 61.384 0.405 1
1 559 . 17 1 1 A 48 48 SER CB C 48 62.761 63.198 -0.437 1
1 560 . 17 1 1 A 48 48 SER N N 48 114.372 117.075 -2.703 1
1 561 . 17 1 1 A 49 49 ALA H H 49 8.489 8.053 0.436 1
1 562 . 17 1 1 A 49 49 ALA HA H 49 3.931 4.035 -0.104 1
1 566 . 17 1 1 A 49 49 ALA C C 49 172.626 179.429 -6.803 1
1 567 . 17 1 1 A 49 49 ALA CA C 49 55.067 54.941 0.126 1
1 568 . 17 1 1 A 49 49 ALA CB C 49 17.587 18.416 -0.829 1
1 569 . 17 1 1 A 49 49 ALA N N 49 124.199 122.884 1.315 1
1 570 . 17 1 1 A 50 50 PHE H H 50 8.510 8.354 0.156 1
1 571 . 17 1 1 A 50 50 PHE HA H 50 3.763 3.979 -0.216 1
1 578 . 17 1 1 A 50 50 PHE C C 50 174.923 177.437 -2.514 1
1 579 . 17 1 1 A 50 50 PHE CA C 50 63.098 61.383 1.715 1
1 580 . 17 1 1 A 50 50 PHE CB C 50 39.465 39.000 0.465 1
1 583 . 17 1 1 A 50 50 PHE N N 50 120.967 119.669 1.298 1
1 584 . 17 1 1 A 51 51 GLU H H 51 8.561 8.721 -0.160 1
1 585 . 17 1 1 A 51 51 GLU HA H 51 3.717 3.808 -0.091 1
1 590 . 17 1 1 A 51 51 GLU C C 51 173.002 179.227 -6.225 1
1 591 . 17 1 1 A 51 51 GLU CA C 51 59.750 59.407 0.343 1
1 592 . 17 1 1 A 51 51 GLU CB C 51 29.330 29.312 0.018 1
1 594 . 17 1 1 A 51 51 GLU N N 51 116.915 117.742 -0.827 1
1 595 . 17 1 1 A 52 52 THR H H 52 7.759 8.064 -0.305 1
1 596 . 17 1 1 A 52 52 THR HA H 52 4.090 3.689 0.401 1
1 601 . 17 1 1 A 52 52 THR C C 52 174.897 175.764 -0.867 1
1 602 . 17 1 1 A 52 52 THR CA C 52 65.899 66.421 -0.522 1
1 603 . 17 1 1 A 52 52 THR CB C 52 69.172 68.276 0.896 1
1 605 . 17 1 1 A 52 52 THR N N 52 114.348 116.803 -2.455 1
1 606 . 17 1 1 A 53 53 PHE H H 53 8.725 7.683 1.042 1
1 607 . 17 1 1 A 53 53 PHE HA H 53 4.335 4.419 -0.084 1
1 614 . 17 1 1 A 53 53 PHE C C 53 172.389 177.122 -4.733 1
1 615 . 17 1 1 A 53 53 PHE CA C 53 60.011 59.365 0.646 1
1 616 . 17 1 1 A 53 53 PHE CB C 53 38.244 37.750 0.494 1
1 619 . 17 1 1 A 53 53 PHE N N 53 120.493 117.646 2.847 1
1 620 . 17 1 1 A 54 54 ARG H H 54 8.579 8.309 0.270 1
1 621 . 17 1 1 A 54 54 ARG HA H 54 3.626 3.791 -0.165 1
1 625 . 17 1 1 A 54 54 ARG C C 54 175.195 177.632 -2.437 1
1 626 . 17 1 1 A 54 54 ARG CA C 54 59.252 58.503 0.749 1
1 627 . 17 1 1 A 54 54 ARG CB C 54 26.544 29.549 -3.005 1
1 629 . 17 1 1 A 54 54 ARG N N 54 119.132 118.932 0.200 1
1 631 . 17 1 1 A 55 55 GLU H H 55 6.758 8.560 -1.802 1
1 632 . 17 1 1 A 55 55 GLU HA H 55 3.983 4.050 -0.067 1
1 637 . 17 1 1 A 55 55 GLU C C 55 174.356 179.227 -4.871 1
1 638 . 17 1 1 A 55 55 GLU CA C 55 58.002 59.038 -1.036 1
1 639 . 17 1 1 A 55 55 GLU CB C 55 29.865 29.285 0.580 1
1 641 . 17 1 1 A 55 55 GLU N N 55 115.466 118.353 -2.887 1
1 642 . 17 1 1 A 56 56 GLU H H 56 7.245 7.739 -0.494 1
1 643 . 17 1 1 A 56 56 GLU HA H 56 4.294 4.093 0.201 1
1 648 . 17 1 1 A 56 56 GLU C C 56 175.946 176.132 -0.186 1
1 649 . 17 1 1 A 56 56 GLU CA C 56 55.827 58.570 -2.743 1
1 650 . 17 1 1 A 56 56 GLU CB C 56 30.030 29.927 0.103 1
1 652 . 17 1 1 A 56 56 GLU N N 56 114.653 119.818 -5.165 1
1 653 . 17 1 1 A 57 57 SER H H 57 7.405 7.614 -0.209 1
1 654 . 17 1 1 A 57 57 SER HA H 57 4.707 4.861 -0.154 1
1 657 . 17 1 1 A 57 57 SER C C 57 176.895 174.352 2.543 1
1 658 . 17 1 1 A 57 57 SER CA C 57 55.456 57.646 -2.190 1
1 659 . 17 1 1 A 57 57 SER CB C 57 64.059 65.379 -1.320 1
1 660 . 17 1 1 A 57 57 SER N N 57 114.312 112.219 2.093 1
1 661 . 17 1 1 A 58 58 LEU H H 58 8.819 8.961 -0.142 1
1 662 . 17 1 1 A 58 58 LEU HA H 58 4.120 4.099 0.021 1
1 672 . 17 1 1 A 58 58 LEU C C 58 172.006 178.544 -6.538 1
1 673 . 17 1 1 A 58 58 LEU CA C 58 58.438 57.521 0.917 1
1 674 . 17 1 1 A 58 58 LEU CB C 58 41.839 41.611 0.228 1
1 678 . 17 1 1 A 58 58 LEU N N 58 129.477 126.601 2.876 1
1 679 . 17 1 1 A 59 59 VAL H H 59 7.929 7.688 0.241 1
1 680 . 17 1 1 A 59 59 VAL HA H 59 4.305 4.216 0.089 1
1 688 . 17 1 1 A 59 59 VAL C C 59 173.624 177.464 -3.840 1
1 689 . 17 1 1 A 59 59 VAL CA C 59 64.028 64.151 -0.123 1
1 690 . 17 1 1 A 59 59 VAL CB C 59 33.135 31.258 1.877 1
1 693 . 17 1 1 A 59 59 VAL N N 59 112.367 114.403 -2.036 1
1 694 . 17 1 1 A 60 60 CYS H H 60 7.786 7.823 -0.037 1
1 695 . 17 1 1 A 60 60 CYS HA H 60 4.589 4.491 0.098 1
1 698 . 17 1 1 A 60 60 CYS C C 60 176.508 176.311 0.197 1
1 699 . 17 1 1 A 60 60 CYS CA C 60 59.907 60.150 -0.243 1
1 700 . 17 1 1 A 60 60 CYS CB C 60 28.211 27.816 0.395 1
1 701 . 17 1 1 A 60 60 CYS N N 60 115.412 119.870 -4.458 1
1 702 . 17 1 1 A 61 61 LYS H H 61 7.415 7.312 0.103 1
1 703 . 17 1 1 A 61 61 LYS HA H 61 3.820 4.164 -0.344 1
1 712 . 17 1 1 A 61 61 LYS C C 61 175.812 176.102 -0.290 1
1 713 . 17 1 1 A 61 61 LYS CA C 61 60.389 58.122 2.267 1
1 714 . 17 1 1 A 61 61 LYS CB C 61 32.606 32.102 0.504 1
1 718 . 17 1 1 A 61 61 LYS N N 61 120.942 118.588 2.354 1
1 719 . 17 1 1 A 62 62 ASP C C 62 175.254 174.228 1.026 1
1 720 . 17 1 1 A 62 62 ASP CA C 62 55.159 53.009 2.150 1
1 721 . 17 1 1 A 62 62 ASP CB C 62 42.358 40.952 1.406 1
1 722 . 17 1 1 A 64 64 ILE H H 64 7.784 8.732 -0.948 1
1 723 . 17 1 1 A 64 64 ILE HA H 64 4.126 4.906 -0.780 1
1 733 . 17 1 1 A 64 64 ILE C C 64 177.456 174.311 3.145 1
1 734 . 17 1 1 A 64 64 ILE CA C 64 60.516 59.676 0.840 1
1 735 . 17 1 1 A 64 64 ILE CB C 64 39.990 42.123 -2.133 1
1 739 . 17 1 1 A 64 64 ILE N N 64 122.653 118.653 4.000 1
1 740 . 17 1 1 A 65 65 LEU H H 65 8.357 8.959 -0.602 1
1 741 . 17 1 1 A 65 65 LEU HA H 65 4.858 4.965 -0.107 1
1 751 . 17 1 1 A 65 65 LEU C C 65 176.625 174.629 1.996 1
1 752 . 17 1 1 A 65 65 LEU CA C 65 53.315 53.319 -0.004 1
1 753 . 17 1 1 A 65 65 LEU CB C 65 43.307 44.171 -0.864 1
1 757 . 17 1 1 A 65 65 LEU N N 65 128.311 127.950 0.361 1
1 758 . 17 1 1 A 66 66 ASP H H 66 9.088 9.109 -0.021 1
1 759 . 17 1 1 A 66 66 ASP HA H 66 5.009 4.739 0.270 1
1 762 . 17 1 1 A 66 66 ASP C C 66 177.504 174.538 2.966 1
1 763 . 17 1 1 A 66 66 ASP CA C 66 53.137 53.215 -0.078 1
1 764 . 17 1 1 A 66 66 ASP CB C 66 44.234 40.225 4.009 1
1 765 . 17 1 1 A 66 66 ASP N N 66 129.457 127.878 1.579 1
1 766 . 17 1 1 A 67 67 ILE H H 67 8.240 8.353 -0.113 1
1 767 . 17 1 1 A 67 67 ILE HA H 67 4.759 4.503 0.256 1
1 777 . 17 1 1 A 67 67 ILE C C 67 175.569 175.449 0.120 1
1 778 . 17 1 1 A 67 67 ILE CA C 67 59.640 60.917 -1.277 1
1 779 . 17 1 1 A 67 67 ILE CB C 67 39.948 37.274 2.674 1
1 783 . 17 1 1 A 67 67 ILE N N 67 120.821 126.651 -5.830 1
1 784 . 17 1 1 A 68 68 VAL H H 68 9.310 8.879 0.431 1
1 785 . 17 1 1 A 68 68 VAL HA H 68 4.149 4.149 0.000 1
1 793 . 17 1 1 A 68 68 VAL C C 68 176.697 175.331 1.366 1
1 794 . 17 1 1 A 68 68 VAL CA C 68 60.707 62.495 -1.788 1
1 795 . 17 1 1 A 68 68 VAL CB C 68 34.121 32.297 1.824 1
1 798 . 17 1 1 A 68 68 VAL N N 68 130.182 128.430 1.752 1
1 799 . 17 1 1 A 69 69 ASP H H 69 8.577 8.681 -0.104 1
1 800 . 17 1 1 A 69 69 ASP HA H 69 4.847 4.932 -0.085 1
1 803 . 17 1 1 A 69 69 ASP C C 69 175.713 175.413 0.300 1
1 804 . 17 1 1 A 69 69 ASP CA C 69 54.357 54.131 0.226 1
1 805 . 17 1 1 A 69 69 ASP CB C 69 41.353 40.843 0.510 1
1 806 . 17 1 1 A 69 69 ASP N N 69 127.151 128.596 -1.445 1
1 807 . 17 1 1 A 70 70 GLU H H 70 7.857 8.782 -0.925 1
1 808 . 17 1 1 A 70 70 GLU HA H 70 4.563 4.408 0.155 1
1 813 . 17 1 1 A 70 70 GLU C C 70 176.179 177.161 -0.982 1
1 814 . 17 1 1 A 70 70 GLU CA C 70 56.333 56.030 0.303 1
1 815 . 17 1 1 A 70 70 GLU CB C 70 31.503 30.585 0.918 1
1 817 . 17 1 1 A 70 70 GLU N N 70 123.503 124.418 -0.915 1
1 818 . 17 1 1 A 71 71 LYS H H 71 8.517 8.493 0.024 1
1 819 . 17 1 1 A 71 71 LYS HA H 71 4.261 4.437 -0.176 1
1 828 . 17 1 1 A 71 71 LYS C C 71 175.084 175.536 -0.452 1
1 829 . 17 1 1 A 71 71 LYS CA C 71 55.210 56.711 -1.501 1
1 830 . 17 1 1 A 71 71 LYS CB C 71 33.019 33.340 -0.321 1
1 834 . 17 1 1 A 71 71 LYS N N 71 124.197 122.312 1.885 1
1 835 . 17 1 1 A 72 72 VAL H H 72 8.612 8.251 0.361 1
1 836 . 17 1 1 A 72 72 VAL HA H 72 4.277 5.125 -0.848 1
1 844 . 17 1 1 A 72 72 VAL C C 72 176.529 174.669 1.860 1
1 845 . 17 1 1 A 72 72 VAL CA C 72 63.133 60.477 2.656 1
1 846 . 17 1 1 A 72 72 VAL CB C 72 32.188 34.965 -2.777 1
1 849 . 17 1 1 A 72 72 VAL N N 72 119.616 120.126 -0.510 1
1 850 . 17 1 1 A 73 73 GLU H H 73 7.750 8.472 -0.722 1
1 851 . 17 1 1 A 73 73 GLU HA H 73 4.469 4.777 -0.308 1
1 856 . 17 1 1 A 73 73 GLU C C 73 178.456 174.509 3.947 1
1 857 . 17 1 1 A 73 73 GLU CA C 73 55.241 54.921 0.320 1
1 858 . 17 1 1 A 73 73 GLU CB C 73 34.536 33.690 0.846 1
1 860 . 17 1 1 A 73 73 GLU N N 73 126.126 126.936 -0.810 1
1 861 . 17 1 1 A 74 74 LEU H H 74 8.495 9.347 -0.852 1
1 862 . 17 1 1 A 74 74 LEU HA H 74 5.207 4.923 0.284 1
1 869 . 17 1 1 A 74 74 LEU C C 74 176.827 176.129 0.698 1
1 870 . 17 1 1 A 74 74 LEU CA C 74 52.600 53.285 -0.685 1
1 871 . 17 1 1 A 74 74 LEU CB C 74 45.404 42.536 2.868 1
1 874 . 17 1 1 A 74 74 LEU N N 74 123.821 127.016 -3.195 1
1 875 . 17 1 1 A 75 75 GLU H H 75 8.770 8.346 0.424 1
1 876 . 17 1 1 A 75 75 GLU HA H 75 5.127 4.246 0.881 1
1 881 . 17 1 1 A 75 75 GLU C C 75 176.617 175.752 0.865 1
1 882 . 17 1 1 A 75 75 GLU CA C 75 53.748 56.154 -2.406 1
1 883 . 17 1 1 A 75 75 GLU CB C 75 33.910 30.448 3.462 1
1 885 . 17 1 1 A 75 75 GLU N N 75 118.723 124.571 -5.848 1
1 886 . 17 1 1 A 76 76 CYS H H 76 9.354 8.510 0.844 1
1 887 . 17 1 1 A 76 76 CYS HA H 76 4.665 4.577 0.088 1
1 890 . 17 1 1 A 76 76 CYS C C 76 173.085 175.731 -2.646 1
1 891 . 17 1 1 A 76 76 CYS CA C 76 59.386 58.857 0.529 1
1 892 . 17 1 1 A 76 76 CYS CB C 76 32.476 28.618 3.858 1
1 893 . 17 1 1 A 76 76 CYS N N 76 128.378 121.748 6.630 1
1 894 . 17 1 1 A 77 77 LYS H H 77 9.328 8.796 0.532 1
1 895 . 17 1 1 A 77 77 LYS HA H 77 4.279 4.033 0.246 1
1 904 . 17 1 1 A 77 77 LYS C C 77 174.709 177.083 -2.374 1
1 905 . 17 1 1 A 77 77 LYS CA C 77 56.997 59.282 -2.285 1
1 906 . 17 1 1 A 77 77 LYS CB C 77 31.240 32.662 -1.422 1
1 910 . 17 1 1 A 77 77 LYS N N 77 129.264 126.195 3.069 1
1 911 . 17 1 1 A 78 78 ASP H H 78 9.182 8.137 1.045 1
1 912 . 17 1 1 A 78 78 ASP HA H 78 4.945 4.862 0.083 1
1 915 . 17 1 1 A 78 78 ASP C C 78 173.961 174.576 -0.615 1
1 916 . 17 1 1 A 78 78 ASP CA C 78 56.797 52.821 3.976 1
1 917 . 17 1 1 A 78 78 ASP CB C 78 42.214 41.262 0.952 1
1 918 . 17 1 1 A 78 78 ASP N N 78 122.206 117.053 5.153 1
1 919 . 17 1 1 A 79 79 CYS H H 79 9.871 7.962 1.909 1
1 920 . 17 1 1 A 79 79 CYS HA H 79 5.165 4.840 0.325 1
1 923 . 17 1 1 A 79 79 CYS C C 79 174.253 173.269 0.984 1
1 924 . 17 1 1 A 79 79 CYS CA C 79 59.123 57.833 1.290 1
1 925 . 17 1 1 A 79 79 CYS CB C 79 32.286 30.547 1.739 1
1 926 . 17 1 1 A 79 79 CYS N N 79 124.020 122.843 1.177 1
1 927 . 17 1 1 A 80 80 SER H H 80 7.667 8.613 -0.946 1
1 928 . 17 1 1 A 80 80 SER HA H 80 4.564 4.807 -0.243 1
1 931 . 17 1 1 A 80 80 SER C C 80 178.621 173.204 5.417 1
1 932 . 17 1 1 A 80 80 SER CA C 80 62.038 57.306 4.732 1
1 933 . 17 1 1 A 80 80 SER CB C 80 62.215 64.327 -2.112 1
1 934 . 17 1 1 A 80 80 SER N N 80 115.904 117.226 -1.322 1
1 935 . 17 1 1 A 81 81 HIS H H 81 8.916 7.593 1.323 1
1 936 . 17 1 1 A 81 81 HIS HA H 81 4.649 4.936 -0.287 1
1 941 . 17 1 1 A 81 81 HIS C C 81 178.299 173.082 5.217 1
1 942 . 17 1 1 A 81 81 HIS CA C 81 58.348 55.578 2.770 1
1 943 . 17 1 1 A 81 81 HIS CB C 81 33.016 33.447 -0.431 1
1 946 . 17 1 1 A 81 81 HIS N N 81 125.397 121.261 4.136 1
1 949 . 17 1 1 A 82 82 VAL H H 82 7.058 8.071 -1.013 1
1 950 . 17 1 1 A 82 82 VAL HA H 82 5.212 4.883 0.329 1
1 958 . 17 1 1 A 82 82 VAL C C 82 176.161 173.895 2.266 1
1 959 . 17 1 1 A 82 82 VAL CA C 82 60.567 59.364 1.203 1
1 960 . 17 1 1 A 82 82 VAL CB C 82 34.355 35.928 -1.573 1
1 963 . 17 1 1 A 82 82 VAL N N 82 125.314 119.503 5.811 1
1 964 . 17 1 1 A 83 83 PHE H H 83 8.883 8.527 0.356 1
1 965 . 17 1 1 A 83 83 PHE HA H 83 4.842 5.317 -0.475 1
1 972 . 17 1 1 A 83 83 PHE C C 83 179.687 172.768 6.919 1
1 973 . 17 1 1 A 83 83 PHE CA C 83 55.495 55.485 0.010 1
1 974 . 17 1 1 A 83 83 PHE CB C 83 40.651 41.622 -0.971 1
1 978 . 17 1 1 A 83 83 PHE N N 83 122.377 118.664 3.713 1
1 979 . 17 1 1 A 84 84 LYS H H 84 8.658 8.843 -0.185 1
1 980 . 17 1 1 A 84 84 LYS HA H 84 5.001 4.891 0.110 1
1 989 . 17 1 1 A 84 84 LYS C C 84 176.705 174.847 1.858 1
1 990 . 17 1 1 A 84 84 LYS CA C 84 52.738 53.927 -1.189 1
1 991 . 17 1 1 A 84 84 LYS CB C 84 32.660 34.077 -1.417 1
1 995 . 17 1 1 A 84 84 LYS N N 84 121.116 117.819 3.297 1
1 996 . 17 1 1 A 85 85 PRO HA H 85 4.663 4.826 -0.163 1
1 1003 . 17 1 1 A 85 85 PRO C C 85 174.722 176.219 -1.497 1
1 1004 . 17 1 1 A 85 85 PRO CA C 85 62.633 62.916 -0.283 1
1 1005 . 17 1 1 A 85 85 PRO CB C 85 32.712 31.996 0.716 1
1 1008 . 17 1 1 A 86 86 ASN H H 86 8.983 9.082 -0.099 1
1 1009 . 17 1 1 A 86 86 ASN HA H 86 4.704 4.934 -0.230 1
1 1014 . 17 1 1 A 86 86 ASN C C 86 176.576 174.961 1.615 1
1 1015 . 17 1 1 A 86 86 ASN CA C 86 53.552 54.855 -1.303 1
1 1016 . 17 1 1 A 86 86 ASN CB C 86 39.208 40.594 -1.386 1
1 1017 . 17 1 1 A 86 86 ASN N N 86 119.549 120.006 -0.457 1
1 1019 . 17 1 1 A 87 87 ALA H H 87 8.122 7.873 0.249 1
1 1020 . 17 1 1 A 87 87 ALA HA H 87 4.369 4.373 -0.004 1
1 1024 . 17 1 1 A 87 87 ALA C C 87 174.154 177.507 -3.353 1
1 1025 . 17 1 1 A 87 87 ALA CA C 87 52.560 52.597 -0.037 1
1 1026 . 17 1 1 A 87 87 ALA CB C 87 19.660 20.047 -0.387 1
1 1027 . 17 1 1 A 87 87 ALA N N 87 122.483 121.152 1.331 1
1 1028 . 17 1 1 A 88 88 LEU H H 88 8.195 8.575 -0.380 1
1 1029 . 17 1 1 A 88 88 LEU HA H 88 4.192 4.495 -0.303 1
1 1039 . 17 1 1 A 88 88 LEU C C 88 174.871 177.703 -2.832 1
1 1040 . 17 1 1 A 88 88 LEU CA C 88 55.691 55.705 -0.014 1
1 1041 . 17 1 1 A 88 88 LEU CB C 88 41.708 42.998 -1.290 1
1 1045 . 17 1 1 A 88 88 LEU N N 88 118.730 117.351 1.379 1
1 1046 . 17 1 1 A 89 89 ASP H H 89 7.902 8.273 -0.371 1
1 1047 . 17 1 1 A 89 89 ASP HA H 89 4.601 4.216 0.385 1
1 1050 . 17 1 1 A 89 89 ASP C C 89 175.940 177.290 -1.350 1
1 1051 . 17 1 1 A 89 89 ASP CA C 89 53.641 56.872 -3.231 1
1 1052 . 17 1 1 A 89 89 ASP CB C 89 40.953 40.525 0.428 1
1 1053 . 17 1 1 A 89 89 ASP N N 89 118.577 120.523 -1.946 1
1 1054 . 17 1 1 A 90 90 TYR H H 90 7.922 7.620 0.302 1
1 1055 . 17 1 1 A 90 90 TYR HA H 90 4.551 4.665 -0.114 1
1 1062 . 17 1 1 A 90 90 TYR C C 90 175.338 176.629 -1.291 1
1 1063 . 17 1 1 A 90 90 TYR CA C 90 57.505 58.175 -0.670 1
1 1064 . 17 1 1 A 90 90 TYR CB C 90 38.147 37.908 0.239 1
1 1067 . 17 1 1 A 90 90 TYR N N 90 121.632 115.290 6.342 1
1 1068 . 17 1 1 A 91 91 GLY H H 91 8.313 7.904 0.409 1
1 1069 . 17 1 1 A 91 91 GLY HA2 H 91 3.966 3.961 0.005 1
1 1070 . 17 1 1 A 91 91 GLY HA3 H 91 3.784 3.996 -0.212 1
1 1071 . 17 1 1 A 91 91 GLY C C 91 178.622 174.356 4.266 1
1 1072 . 17 1 1 A 91 91 GLY CA C 91 45.916 45.449 0.467 1
1 1073 . 17 1 1 A 91 91 GLY N N 91 108.097 109.021 -0.924 1
1 1074 . 17 1 1 A 92 92 VAL H H 92 7.078 7.578 -0.500 1
1 1075 . 17 1 1 A 92 92 VAL HA H 92 4.810 4.181 0.629 1
1 1083 . 17 1 1 A 92 92 VAL C C 92 176.954 175.629 1.325 1
1 1084 . 17 1 1 A 92 92 VAL CA C 92 59.083 61.750 -2.667 1
1 1085 . 17 1 1 A 92 92 VAL CB C 92 35.602 32.954 2.648 1
1 1088 . 17 1 1 A 92 92 VAL N N 92 113.901 117.462 -3.561 1
1 1089 . 17 1 1 A 93 93 CYS H H 93 9.086 8.797 0.289 1
1 1090 . 17 1 1 A 93 93 CYS HA H 93 4.118 4.804 -0.686 1
1 1093 . 17 1 1 A 93 93 CYS C C 93 173.477 175.900 -2.423 1
1 1094 . 17 1 1 A 93 93 CYS CA C 93 60.511 59.890 0.621 1
1 1095 . 17 1 1 A 93 93 CYS CB C 93 31.124 28.691 2.433 1
1 1096 . 17 1 1 A 93 93 CYS N N 93 126.248 123.066 3.182 1
1 1097 . 17 1 1 A 94 94 GLU H H 94 5.667 8.956 -3.289 1
1 1098 . 17 1 1 A 94 94 GLU HA H 94 4.073 3.878 0.195 1
1 1103 . 17 1 1 A 94 94 GLU C C 94 176.973 178.386 -1.413 1
1 1104 . 17 1 1 A 94 94 GLU CA C 94 57.434 59.545 -2.111 1
1 1105 . 17 1 1 A 94 94 GLU CB C 94 28.813 29.269 -0.456 1
1 1107 . 17 1 1 A 94 94 GLU N N 94 126.541 126.962 -0.421 1
1 1108 . 17 1 1 A 95 95 LYS H H 95 9.002 7.703 1.299 1
1 1109 . 17 1 1 A 95 95 LYS HA H 95 4.076 4.192 -0.116 1
1 1118 . 17 1 1 A 95 95 LYS C C 95 174.890 176.936 -2.046 1
1 1119 . 17 1 1 A 95 95 LYS CA C 95 57.782 58.871 -1.089 1
1 1120 . 17 1 1 A 95 95 LYS CB C 95 34.056 32.823 1.233 1
1 1124 . 17 1 1 A 95 95 LYS N N 95 123.753 118.869 4.884 1
1 1125 . 17 1 1 A 96 96 CYS H H 96 9.063 7.666 1.397 1
1 1126 . 17 1 1 A 96 96 CYS HA H 96 4.755 4.931 -0.176 1
1 1129 . 17 1 1 A 96 96 CYS C C 96 174.775 174.511 0.264 1
1 1130 . 17 1 1 A 96 96 CYS CA C 96 58.756 57.438 1.318 1
1 1131 . 17 1 1 A 96 96 CYS CB C 96 32.066 29.724 2.342 1
1 1132 . 17 1 1 A 96 96 CYS N N 96 120.699 115.412 5.287 1
1 1133 . 17 1 1 A 97 97 HIS H H 97 7.541 8.783 -1.242 1
1 1134 . 17 1 1 A 97 97 HIS HA H 97 4.474 4.458 0.016 1
1 1139 . 17 1 1 A 97 97 HIS C C 97 178.193 174.159 4.034 1
1 1140 . 17 1 1 A 97 97 HIS CA C 97 57.481 55.799 1.682 1
1 1141 . 17 1 1 A 97 97 HIS CB C 97 27.126 29.140 -2.014 1
1 1144 . 17 1 1 A 97 97 HIS N N 97 116.676 121.428 -4.752 1
1 1147 . 17 1 1 A 98 98 SER H H 98 8.775 8.164 0.611 1
1 1148 . 17 1 1 A 98 98 SER HA H 98 4.322 4.935 -0.613 1
1 1151 . 17 1 1 A 98 98 SER C C 98 176.432 173.188 3.244 1
1 1152 . 17 1 1 A 98 98 SER CA C 98 58.923 56.343 2.580 1
1 1153 . 17 1 1 A 98 98 SER CB C 98 64.790 65.536 -0.746 1
1 1154 . 17 1 1 A 98 98 SER N N 98 116.989 114.588 2.401 1
1 1155 . 17 1 1 A 99 99 LYS H H 99 8.567 8.638 -0.071 1
1 1156 . 17 1 1 A 99 99 LYS HA H 99 4.935 4.717 0.218 1
1 1165 . 17 1 1 A 99 99 LYS C C 99 173.648 177.133 -3.485 1
1 1166 . 17 1 1 A 99 99 LYS CA C 99 56.417 55.797 0.620 1
1 1167 . 17 1 1 A 99 99 LYS CB C 99 32.366 32.224 0.142 1
1 1171 . 17 1 1 A 99 99 LYS N N 99 122.510 124.153 -1.643 1
1 1172 . 17 1 1 A 100 100 ASN H H 100 9.426 8.424 1.002 1
1 1173 . 17 1 1 A 100 100 ASN HA H 100 4.916 4.546 0.370 1
1 1178 . 17 1 1 A 100 100 ASN C C 100 178.498 175.541 2.957 1
1 1179 . 17 1 1 A 100 100 ASN CA C 100 51.999 54.007 -2.008 1
1 1180 . 17 1 1 A 100 100 ASN CB C 100 36.539 37.694 -1.155 1
1 1181 . 17 1 1 A 100 100 ASN N N 100 124.489 118.682 5.807 1
1 1183 . 17 1 1 A 101 101 VAL H H 101 7.627 7.486 0.141 1
1 1184 . 17 1 1 A 101 101 VAL HA H 101 5.329 4.128 1.201 1
1 1192 . 17 1 1 A 101 101 VAL C C 101 175.484 175.821 -0.337 1
1 1193 . 17 1 1 A 101 101 VAL CA C 101 58.253 61.898 -3.645 1
1 1194 . 17 1 1 A 101 101 VAL CB C 101 34.692 32.469 2.223 1
1 1197 . 17 1 1 A 101 101 VAL N N 101 112.585 118.947 -6.362 1
1 1198 . 17 1 1 A 102 102 ILE H H 102 9.032 8.755 0.277 1
1 1199 . 17 1 1 A 102 102 ILE HA H 102 4.671 4.779 -0.108 1
1 1209 . 17 1 1 A 102 102 ILE C C 102 177.283 174.543 2.740 1
1 1210 . 17 1 1 A 102 102 ILE CA C 102 58.979 58.628 0.351 1
1 1211 . 17 1 1 A 102 102 ILE CB C 102 41.970 41.859 0.111 1
1 1215 . 17 1 1 A 102 102 ILE N N 102 119.819 118.726 1.093 1
1 1216 . 17 1 1 A 103 103 ILE H H 103 8.364 8.940 -0.576 1
1 1217 . 17 1 1 A 103 103 ILE HA H 103 4.527 4.213 0.314 1
1 1227 . 17 1 1 A 103 103 ILE C C 103 174.186 176.414 -2.228 1
1 1228 . 17 1 1 A 103 103 ILE CA C 103 61.366 61.314 0.052 1
1 1229 . 17 1 1 A 103 103 ILE CB C 103 38.577 37.009 1.568 1
1 1233 . 17 1 1 A 103 103 ILE N N 103 123.325 125.025 -1.700 1
1 1234 . 17 1 1 A 104 104 THR H H 104 8.796 8.849 -0.053 1
1 1235 . 17 1 1 A 104 104 THR HA H 104 4.260 4.379 -0.119 1
1 1240 . 17 1 1 A 104 104 THR C C 104 176.317 173.979 2.338 1
1 1241 . 17 1 1 A 104 104 THR CA C 104 62.708 63.012 -0.304 1
1 1242 . 17 1 1 A 104 104 THR CB C 104 68.431 69.688 -1.257 1
1 1244 . 17 1 1 A 104 104 THR N N 104 120.825 122.806 -1.981 1
1 1245 . 17 1 1 A 105 105 GLN H H 105 7.705 7.789 -0.084 1
1 1246 . 17 1 1 A 105 105 GLN HA H 105 4.482 4.564 -0.082 1
1 1253 . 17 1 1 A 105 105 GLN C C 105 177.316 175.245 2.071 1
1 1254 . 17 1 1 A 105 105 GLN CA C 105 55.621 55.483 0.138 1
1 1255 . 17 1 1 A 105 105 GLN CB C 105 31.897 31.572 0.325 1
1 1257 . 17 1 1 A 105 105 GLN N N 105 118.599 120.285 -1.686 1
1 1259 . 17 1 1 A 106 106 GLY H H 106 9.091 8.903 0.188 1
1 1260 . 17 1 1 A 106 106 GLY HA2 H 106 3.472 3.975 -0.503 1
1 1261 . 17 1 1 A 106 106 GLY HA3 H 106 4.255 3.977 0.278 1
1 1262 . 17 1 1 A 106 106 GLY C C 106 178.226 175.272 2.954 1
1 1263 . 17 1 1 A 106 106 GLY CA C 106 45.497 46.115 -0.618 1
1 1264 . 17 1 1 A 106 106 GLY N N 106 106.938 114.666 -7.728 1
1 1265 . 17 1 1 A 107 107 ASN H H 107 8.542 8.007 0.535 1
1 1266 . 17 1 1 A 107 107 ASN HA H 107 4.670 4.352 0.318 1
1 1271 . 17 1 1 A 107 107 ASN C C 107 176.917 174.832 2.085 1
1 1272 . 17 1 1 A 107 107 ASN CA C 107 52.697 55.951 -3.254 1
1 1273 . 17 1 1 A 107 107 ASN CB C 107 39.745 39.300 0.445 1
1 1274 . 17 1 1 A 107 107 ASN N N 107 117.838 120.061 -2.223 1
1 1276 . 17 1 1 A 108 108 GLU H H 108 8.050 7.785 0.265 1
1 1277 . 17 1 1 A 108 108 GLU HA H 108 4.638 4.714 -0.076 1
1 1282 . 17 1 1 A 108 108 GLU C C 108 176.463 174.823 1.640 1
1 1283 . 17 1 1 A 108 108 GLU CA C 108 55.693 54.583 1.110 1
1 1284 . 17 1 1 A 108 108 GLU CB C 108 32.643 34.686 -2.043 1
1 1286 . 17 1 1 A 108 108 GLU N N 108 118.542 115.001 3.541 1
1 1287 . 17 1 1 A 109 109 MET H H 109 8.431 8.680 -0.249 1
1 1288 . 17 1 1 A 109 109 MET HA H 109 5.236 4.602 0.634 1
1 1296 . 17 1 1 A 109 109 MET C C 109 176.443 175.786 0.657 1
1 1297 . 17 1 1 A 109 109 MET CA C 109 54.801 55.848 -1.047 1
1 1298 . 17 1 1 A 109 109 MET CB C 109 33.115 33.072 0.043 1
1 1301 . 17 1 1 A 109 109 MET N N 109 121.401 122.456 -1.055 1
1 1302 . 17 1 1 A 110 110 ARG H H 110 9.166 8.865 0.301 1
1 1303 . 17 1 1 A 110 110 ARG HA H 110 4.771 4.904 -0.133 1
1 1311 . 17 1 1 A 110 110 ARG C C 110 177.215 175.561 1.654 1
1 1312 . 17 1 1 A 110 110 ARG CA C 110 54.826 53.911 0.915 1
1 1313 . 17 1 1 A 110 110 ARG CB C 110 33.474 34.352 -0.878 1
1 1316 . 17 1 1 A 110 110 ARG N N 110 123.271 125.020 -1.749 1
1 1318 . 17 1 1 A 111 111 LEU H H 111 8.874 8.778 0.096 1
1 1319 . 17 1 1 A 111 111 LEU HA H 111 4.335 4.387 -0.052 1
1 1329 . 17 1 1 A 111 111 LEU C C 111 175.976 176.587 -0.611 1
1 1330 . 17 1 1 A 111 111 LEU CA C 111 55.633 55.238 0.395 1
1 1331 . 17 1 1 A 111 111 LEU CB C 111 42.413 42.272 0.141 1
1 1335 . 17 1 1 A 111 111 LEU N N 111 125.212 122.320 2.892 1
1 1336 . 17 1 1 A 112 112 LEU HA H 112 4.432 4.468 -0.036 1
1 1346 . 17 1 1 A 112 112 LEU C C 112 173.898 176.683 -2.785 1
1 1347 . 17 1 1 A 112 112 LEU CA C 112 56.230 55.936 0.294 1
1 1348 . 17 1 1 A 112 112 LEU CB C 112 42.688 43.080 -0.392 1
1 1352 . 17 1 1 A 113 113 SER H H 113 7.895 7.687 0.208 1
1 1353 . 17 1 1 A 113 113 SER HA H 113 4.509 4.808 -0.299 1
1 1356 . 17 1 1 A 113 113 SER C C 113 180.240 171.980 8.260 1
1 1357 . 17 1 1 A 113 113 SER CA C 113 58.129 57.638 0.491 1
1 1358 . 17 1 1 A 113 113 SER CB C 113 64.473 65.552 -1.079 1
1 1359 . 17 1 1 A 113 113 SER N N 113 110.894 109.945 0.949 1
1 1360 . 17 1 1 A 114 114 LEU H H 114 8.151 8.328 -0.177 1
1 1361 . 17 1 1 A 114 114 LEU HA H 114 5.086 5.183 -0.097 1
1 1371 . 17 1 1 A 114 114 LEU C C 114 175.777 175.612 0.165 1
1 1372 . 17 1 1 A 114 114 LEU CA C 114 53.830 53.645 0.185 1
1 1373 . 17 1 1 A 114 114 LEU CB C 114 46.471 46.269 0.202 1
1 1377 . 17 1 1 A 114 114 LEU N N 114 120.671 120.411 0.260 1
1 1378 . 17 1 1 A 115 115 GLU H H 115 8.666 8.945 -0.279 1
1 1379 . 17 1 1 A 115 115 GLU HA H 115 4.823 5.206 -0.383 1
1 1384 . 17 1 1 A 115 115 GLU C C 115 175.727 175.403 0.324 1
1 1385 . 17 1 1 A 115 115 GLU CA C 115 55.127 54.548 0.579 1
1 1386 . 17 1 1 A 115 115 GLU CB C 115 31.063 33.796 -2.733 1
1 1388 . 17 1 1 A 115 115 GLU N N 115 122.105 119.350 2.755 1
1 1389 . 17 1 1 A 116 116 MET H H 116 9.159 9.073 0.086 1
1 1390 . 17 1 1 A 116 116 MET HA H 116 4.989 5.068 -0.079 1
1 1398 . 17 1 1 A 116 116 MET C C 116 177.447 174.514 2.933 1
1 1399 . 17 1 1 A 116 116 MET CA C 116 54.669 54.343 0.326 1
1 1400 . 17 1 1 A 116 116 MET CB C 116 36.107 36.991 -0.884 1
1 1403 . 17 1 1 A 116 116 MET N N 116 123.947 121.441 2.506 1
1 1404 . 17 1 1 A 117 117 LEU H H 117 8.573 8.653 -0.080 1
1 1405 . 17 1 1 A 117 117 LEU HA H 117 4.670 4.359 0.311 1
1 1412 . 17 1 1 A 117 117 LEU C C 117 175.990 175.775 0.215 1
1 1413 . 17 1 1 A 117 117 LEU CA C 117 54.549 54.582 -0.033 1
1 1414 . 17 1 1 A 117 117 LEU CB C 117 44.045 41.668 2.377 1
1 1417 . 17 1 1 A 117 117 LEU N N 117 122.478 123.716 -1.238 1
1 1418 . 17 1 1 A 118 118 ALA H H 118 8.714 8.699 0.015 1
1 1419 . 17 1 1 A 118 118 ALA HA H 118 4.604 4.309 0.295 1
1 1423 . 17 1 1 A 118 118 ALA C C 118 175.279 177.569 -2.290 1
1 1424 . 17 1 1 A 118 118 ALA CA C 118 52.155 52.458 -0.303 1
1 1425 . 17 1 1 A 118 118 ALA CB C 118 20.444 19.808 0.636 1
1 1426 . 17 1 1 A 118 118 ALA N N 118 127.701 130.085 -2.384 1
1 4 . 18 1 1 A 2 2 SER HA H 2 4.544 4.465 0.079 1
1 7 . 18 1 1 A 2 2 SER CA C 2 58.424 59.194 -0.770 1
1 8 . 18 1 1 A 2 2 SER CB C 2 64.017 62.800 1.217 1
1 13 . 18 1 1 A 4 4 HIS HA H 4 4.504 4.257 0.247 1
1 17 . 18 1 1 A 4 4 HIS C C 4 175.043 177.096 -2.053 1
1 18 . 18 1 1 A 4 4 HIS CA C 4 58.574 59.622 -1.048 1
1 19 . 18 1 1 A 4 4 HIS CB C 4 30.859 29.884 0.975 1
1 20 . 18 1 1 A 5 5 GLU H H 5 10.002 9.097 0.905 1
1 21 . 18 1 1 A 5 5 GLU HA H 5 3.831 4.007 -0.176 1
1 26 . 18 1 1 A 5 5 GLU C C 5 173.758 176.879 -3.121 1
1 27 . 18 1 1 A 5 5 GLU CA C 5 61.822 58.584 3.238 1
1 28 . 18 1 1 A 5 5 GLU CB C 5 28.884 28.519 0.365 1
1 30 . 18 1 1 A 5 5 GLU N N 5 120.850 116.361 4.489 1
1 31 . 18 1 1 A 6 6 TYR H H 6 8.163 7.755 0.408 1
1 32 . 18 1 1 A 6 6 TYR HA H 6 4.066 4.704 -0.638 1
1 39 . 18 1 1 A 6 6 TYR C C 6 173.754 176.475 -2.721 1
1 40 . 18 1 1 A 6 6 TYR CA C 6 61.029 57.736 3.293 1
1 41 . 18 1 1 A 6 6 TYR CB C 6 37.391 38.906 -1.515 1
1 44 . 18 1 1 A 6 6 TYR N N 6 117.171 118.909 -1.738 1
1 45 . 18 1 1 A 7 7 SER H H 7 7.929 7.981 -0.052 1
1 46 . 18 1 1 A 7 7 SER HA H 7 4.265 4.091 0.174 1
1 49 . 18 1 1 A 7 7 SER C C 7 174.434 177.382 -2.948 1
1 50 . 18 1 1 A 7 7 SER CA C 7 61.471 61.660 -0.189 1
1 51 . 18 1 1 A 7 7 SER CB C 7 62.686 62.932 -0.246 1
1 52 . 18 1 1 A 7 7 SER N N 7 116.417 116.726 -0.309 1
1 53 . 18 1 1 A 8 8 VAL H H 8 8.088 7.885 0.203 1
1 54 . 18 1 1 A 8 8 VAL HA H 8 3.795 3.696 0.099 1
1 62 . 18 1 1 A 8 8 VAL C C 8 172.652 178.271 -5.619 1
1 63 . 18 1 1 A 8 8 VAL CA C 8 66.036 67.045 -1.009 1
1 64 . 18 1 1 A 8 8 VAL CB C 8 31.811 31.461 0.350 1
1 67 . 18 1 1 A 8 8 VAL N N 8 122.514 120.473 2.041 1
1 68 . 18 1 1 A 9 9 VAL H H 9 8.255 8.354 -0.099 1
1 69 . 18 1 1 A 9 9 VAL HA H 9 3.539 3.760 -0.221 1
1 77 . 18 1 1 A 9 9 VAL C C 9 174.142 178.084 -3.942 1
1 78 . 18 1 1 A 9 9 VAL CA C 9 67.201 67.076 0.125 1
1 79 . 18 1 1 A 9 9 VAL CB C 9 30.859 31.759 -0.900 1
1 82 . 18 1 1 A 9 9 VAL N N 9 120.829 120.629 0.200 1
1 83 . 18 1 1 A 10 10 SER H H 10 8.179 8.388 -0.209 1
1 84 . 18 1 1 A 10 10 SER HA H 10 3.726 4.023 -0.297 1
1 87 . 18 1 1 A 10 10 SER C C 10 173.669 177.352 -3.683 1
1 88 . 18 1 1 A 10 10 SER CA C 10 62.397 61.666 0.731 1
1 89 . 18 1 1 A 10 10 SER CB C 10 62.470 62.890 -0.420 1
1 90 . 18 1 1 A 10 10 SER N N 10 115.937 115.489 0.448 1
1 91 . 18 1 1 A 11 11 SER H H 11 7.860 8.111 -0.251 1
1 92 . 18 1 1 A 11 11 SER HA H 11 4.312 4.140 0.172 1
1 95 . 18 1 1 A 11 11 SER C C 11 174.888 175.994 -1.106 1
1 96 . 18 1 1 A 11 11 SER CA C 11 61.863 62.444 -0.581 1
1 97 . 18 1 1 A 11 11 SER CB C 11 62.638 62.943 -0.305 1
1 98 . 18 1 1 A 11 11 SER N N 11 117.940 117.111 0.829 1
1 99 . 18 1 1 A 12 12 LEU H H 12 8.197 8.326 -0.129 1
1 100 . 18 1 1 A 12 12 LEU HA H 12 4.331 4.196 0.135 1
1 110 . 18 1 1 A 12 12 LEU C C 12 172.791 178.785 -5.994 1
1 111 . 18 1 1 A 12 12 LEU CA C 12 58.035 58.164 -0.129 1
1 112 . 18 1 1 A 12 12 LEU CB C 12 42.062 41.718 0.344 1
1 116 . 18 1 1 A 12 12 LEU N N 12 125.411 123.019 2.392 1
1 117 . 18 1 1 A 13 13 ILE H H 13 8.689 8.233 0.456 1
1 118 . 18 1 1 A 13 13 ILE HA H 13 3.654 3.706 -0.052 1
1 128 . 18 1 1 A 13 13 ILE C C 13 173.945 177.810 -3.865 1
1 129 . 18 1 1 A 13 13 ILE CA C 13 65.287 66.050 -0.763 1
1 130 . 18 1 1 A 13 13 ILE CB C 13 36.843 38.052 -1.209 1
1 134 . 18 1 1 A 13 13 ILE N N 13 121.352 120.164 1.188 1
1 135 . 18 1 1 A 14 14 ALA H H 14 7.692 8.379 -0.687 1
1 136 . 18 1 1 A 14 14 ALA HA H 14 4.218 4.111 0.107 1
1 140 . 18 1 1 A 14 14 ALA C C 14 170.805 179.969 -9.164 1
1 141 . 18 1 1 A 14 14 ALA CA C 14 55.484 55.267 0.217 1
1 142 . 18 1 1 A 14 14 ALA CB C 14 17.698 17.997 -0.299 1
1 143 . 18 1 1 A 14 14 ALA N N 14 121.374 122.849 -1.475 1
1 144 . 18 1 1 A 15 15 LEU H H 15 8.040 8.515 -0.475 1
1 145 . 18 1 1 A 15 15 LEU HA H 15 4.253 3.709 0.544 1
1 152 . 18 1 1 A 15 15 LEU C C 15 171.818 179.007 -7.189 1
1 153 . 18 1 1 A 15 15 LEU CA C 15 58.208 58.129 0.079 1
1 154 . 18 1 1 A 15 15 LEU CB C 15 42.286 41.578 0.708 1
1 157 . 18 1 1 A 15 15 LEU N N 15 121.328 117.886 3.442 1
1 158 . 18 1 1 A 16 16 CYS H H 16 8.587 8.527 0.060 1
1 159 . 18 1 1 A 16 16 CYS HA H 16 3.954 4.166 -0.212 1
1 162 . 18 1 1 A 16 16 CYS C C 16 174.494 177.217 -2.723 1
1 163 . 18 1 1 A 16 16 CYS CA C 16 64.933 63.890 1.043 1
1 164 . 18 1 1 A 16 16 CYS CB C 16 26.960 26.628 0.332 1
1 165 . 18 1 1 A 16 16 CYS N N 16 118.908 116.961 1.947 1
1 166 . 18 1 1 A 17 17 GLU H H 17 8.576 8.394 0.182 1
1 167 . 18 1 1 A 17 17 GLU HA H 17 3.806 3.993 -0.187 1
1 172 . 18 1 1 A 17 17 GLU C C 17 172.225 178.889 -6.664 1
1 173 . 18 1 1 A 17 17 GLU CA C 17 60.306 59.835 0.471 1
1 174 . 18 1 1 A 17 17 GLU CB C 17 29.130 28.902 0.228 1
1 176 . 18 1 1 A 17 17 GLU N N 17 118.419 121.509 -3.090 1
1 177 . 18 1 1 A 18 18 GLU H H 18 8.156 8.242 -0.086 1
1 178 . 18 1 1 A 18 18 GLU HA H 18 4.115 3.998 0.117 1
1 183 . 18 1 1 A 18 18 GLU C C 18 172.241 179.480 -7.239 1
1 184 . 18 1 1 A 18 18 GLU CA C 18 59.507 59.309 0.198 1
1 185 . 18 1 1 A 18 18 GLU CB C 18 29.335 29.183 0.152 1
1 187 . 18 1 1 A 18 18 GLU N N 18 121.603 118.263 3.340 1
1 188 . 18 1 1 A 19 19 HIS H H 19 8.379 8.109 0.270 1
1 189 . 18 1 1 A 19 19 HIS HA H 19 4.174 4.394 -0.220 1
1 194 . 18 1 1 A 19 19 HIS C C 19 172.511 177.844 -5.333 1
1 195 . 18 1 1 A 19 19 HIS CA C 19 60.525 59.688 0.837 1
1 196 . 18 1 1 A 19 19 HIS CB C 19 31.354 29.390 1.964 1
1 198 . 18 1 1 A 19 19 HIS N N 19 119.634 118.785 0.849 1
1 201 . 18 1 1 A 20 20 ALA H H 20 8.568 8.352 0.216 1
1 202 . 18 1 1 A 20 20 ALA HA H 20 4.143 3.882 0.261 1
1 206 . 18 1 1 A 20 20 ALA C C 20 172.155 179.293 -7.138 1
1 207 . 18 1 1 A 20 20 ALA CA C 20 55.716 55.255 0.461 1
1 208 . 18 1 1 A 20 20 ALA CB C 20 17.682 18.182 -0.500 1
1 209 . 18 1 1 A 20 20 ALA N N 20 122.453 123.035 -0.582 1
1 210 . 18 1 1 A 21 21 LYS H H 21 8.055 7.805 0.250 1
1 211 . 18 1 1 A 21 21 LYS HA H 21 4.128 3.657 0.471 1
1 220 . 18 1 1 A 21 21 LYS C C 21 170.753 178.806 -8.053 1
1 221 . 18 1 1 A 21 21 LYS CA C 21 59.469 59.057 0.412 1
1 222 . 18 1 1 A 21 21 LYS CB C 21 32.369 31.881 0.488 1
1 226 . 18 1 1 A 21 21 LYS N N 21 118.604 116.285 2.319 1
1 227 . 18 1 1 A 22 22 LYS H H 22 8.092 7.638 0.454 1
1 228 . 18 1 1 A 22 22 LYS HA H 22 4.100 4.042 0.058 1
1 237 . 18 1 1 A 22 22 LYS C C 22 174.300 178.117 -3.817 1
1 238 . 18 1 1 A 22 22 LYS CA C 22 58.920 59.142 -0.222 1
1 239 . 18 1 1 A 22 22 LYS CB C 22 32.406 32.105 0.301 1
1 243 . 18 1 1 A 22 22 LYS N N 22 119.468 119.697 -0.229 1
1 244 . 18 1 1 A 23 23 ASN H H 23 7.461 7.795 -0.334 1
1 245 . 18 1 1 A 23 23 ASN HA H 23 4.710 4.785 -0.075 1
1 248 . 18 1 1 A 23 23 ASN C C 23 178.526 174.786 3.740 1
1 249 . 18 1 1 A 23 23 ASN CA C 23 53.514 53.313 0.201 1
1 250 . 18 1 1 A 23 23 ASN CB C 23 40.124 38.971 1.153 1
1 251 . 18 1 1 A 23 23 ASN N N 23 115.166 117.130 -1.964 1
1 252 . 18 1 1 A 24 24 GLN H H 24 7.879 7.889 -0.010 1
1 253 . 18 1 1 A 24 24 GLN HA H 24 3.927 3.714 0.213 1
1 260 . 18 1 1 A 24 24 GLN C C 24 177.284 175.487 1.797 1
1 261 . 18 1 1 A 24 24 GLN CA C 24 57.083 56.724 0.359 1
1 262 . 18 1 1 A 24 24 GLN CB C 24 26.400 25.874 0.526 1
1 264 . 18 1 1 A 24 24 GLN N N 24 116.046 116.417 -0.371 1
1 266 . 18 1 1 A 25 25 ALA H H 25 8.491 8.249 0.242 1
1 267 . 18 1 1 A 25 25 ALA HA H 25 4.600 4.169 0.431 1
1 271 . 18 1 1 A 25 25 ALA C C 25 174.729 177.879 -3.150 1
1 272 . 18 1 1 A 25 25 ALA CA C 25 51.416 54.351 -2.935 1
1 273 . 18 1 1 A 25 25 ALA CB C 25 21.350 19.375 1.975 1
1 274 . 18 1 1 A 25 25 ALA N N 25 120.372 120.636 -0.264 1
1 275 . 18 1 1 A 26 26 HIS H H 26 8.476 7.571 0.905 1
1 276 . 18 1 1 A 26 26 HIS HA H 26 4.736 4.189 0.547 1
1 280 . 18 1 1 A 26 26 HIS C C 26 176.751 173.929 2.822 1
1 281 . 18 1 1 A 26 26 HIS CA C 26 56.211 57.110 -0.899 1
1 282 . 18 1 1 A 26 26 HIS CB C 26 31.838 27.128 4.710 1
1 284 . 18 1 1 A 26 26 HIS N N 26 117.648 112.452 5.196 1
1 285 . 18 1 1 A 27 27 LYS H H 27 7.540 7.558 -0.018 1
1 286 . 18 1 1 A 27 27 LYS HA H 27 4.766 4.852 -0.086 1
1 295 . 18 1 1 A 27 27 LYS C C 27 176.918 174.724 2.194 1
1 296 . 18 1 1 A 27 27 LYS CA C 27 55.877 54.869 1.008 1
1 297 . 18 1 1 A 27 27 LYS CB C 27 36.796 37.150 -0.354 1
1 301 . 18 1 1 A 27 27 LYS N N 27 116.451 117.667 -1.216 1
1 302 . 18 1 1 A 28 28 ILE H H 28 8.320 8.918 -0.598 1
1 303 . 18 1 1 A 28 28 ILE HA H 28 4.319 4.997 -0.678 1
1 310 . 18 1 1 A 28 28 ILE C C 28 176.921 175.826 1.095 1
1 311 . 18 1 1 A 28 28 ILE CA C 28 60.552 59.704 0.848 1
1 312 . 18 1 1 A 28 28 ILE CB C 28 38.843 40.980 -2.137 1
1 313 . 18 1 1 A 28 28 ILE N N 28 123.140 121.572 1.568 1
1 314 . 18 1 1 A 29 29 GLU H H 29 9.001 9.448 -0.447 1
1 315 . 18 1 1 A 29 29 GLU HA H 29 4.446 4.529 -0.083 1
1 320 . 18 1 1 A 29 29 GLU C C 29 174.406 174.956 -0.550 1
1 321 . 18 1 1 A 29 29 GLU CA C 29 57.363 57.928 -0.565 1
1 322 . 18 1 1 A 29 29 GLU CB C 29 31.761 32.036 -0.275 1
1 324 . 18 1 1 A 29 29 GLU N N 29 125.872 125.233 0.639 1
1 325 . 18 1 1 A 30 30 ARG H H 30 7.654 7.382 0.272 1
1 326 . 18 1 1 A 30 30 ARG HA H 30 5.282 5.009 0.273 1
1 334 . 18 1 1 A 30 30 ARG C C 30 178.750 174.082 4.668 1
1 335 . 18 1 1 A 30 30 ARG CA C 30 55.558 54.615 0.943 1
1 336 . 18 1 1 A 30 30 ARG CB C 30 34.774 35.318 -0.544 1
1 338 . 18 1 1 A 30 30 ARG N N 30 119.436 117.313 2.123 1
1 340 . 18 1 1 A 31 31 VAL H H 31 9.234 8.939 0.295 1
1 341 . 18 1 1 A 31 31 VAL HA H 31 4.397 4.761 -0.364 1
1 349 . 18 1 1 A 31 31 VAL C C 31 178.662 174.154 4.508 1
1 350 . 18 1 1 A 31 31 VAL CA C 31 60.882 60.383 0.499 1
1 351 . 18 1 1 A 31 31 VAL CB C 31 34.494 34.556 -0.062 1
1 354 . 18 1 1 A 31 31 VAL N N 31 127.428 121.114 6.314 1
1 355 . 18 1 1 A 32 32 VAL H H 32 8.626 9.271 -0.645 1
1 356 . 18 1 1 A 32 32 VAL HA H 32 5.039 4.598 0.441 1
1 364 . 18 1 1 A 32 32 VAL C C 32 175.519 175.124 0.395 1
1 365 . 18 1 1 A 32 32 VAL CA C 32 60.917 62.233 -1.316 1
1 366 . 18 1 1 A 32 32 VAL CB C 32 31.892 31.684 0.208 1
1 368 . 18 1 1 A 32 32 VAL N N 32 126.581 130.668 -4.087 1
1 369 . 18 1 1 A 33 33 VAL H H 33 8.802 9.173 -0.371 1
1 370 . 18 1 1 A 33 33 VAL HA H 33 4.917 4.549 0.368 1
1 378 . 18 1 1 A 33 33 VAL C C 33 178.038 174.761 3.277 1
1 379 . 18 1 1 A 33 33 VAL CA C 33 58.975 60.753 -1.778 1
1 380 . 18 1 1 A 33 33 VAL CB C 33 35.109 35.200 -0.091 1
1 383 . 18 1 1 A 33 33 VAL N N 33 122.994 127.598 -4.604 1
1 384 . 18 1 1 A 34 34 GLY H H 34 9.535 9.364 0.171 1
1 385 . 18 1 1 A 34 34 GLY HA2 H 34 5.187 4.119 1.068 1
1 386 . 18 1 1 A 34 34 GLY HA3 H 34 3.404 4.125 -0.721 1
1 387 . 18 1 1 A 34 34 GLY C C 34 178.060 172.363 5.697 1
1 388 . 18 1 1 A 34 34 GLY CA C 34 44.108 44.700 -0.592 1
1 389 . 18 1 1 A 34 34 GLY N N 34 112.269 115.112 -2.843 1
1 390 . 18 1 1 A 35 35 ILE H H 35 8.761 9.677 -0.916 1
1 391 . 18 1 1 A 35 35 ILE HA H 35 4.340 4.620 -0.280 1
1 401 . 18 1 1 A 35 35 ILE C C 35 174.823 176.198 -1.375 1
1 402 . 18 1 1 A 35 35 ILE CA C 35 60.287 59.544 0.743 1
1 403 . 18 1 1 A 35 35 ILE CB C 35 39.357 39.938 -0.581 1
1 407 . 18 1 1 A 35 35 ILE N N 35 123.848 126.096 -2.248 1
1 408 . 18 1 1 A 36 36 GLY H H 36 8.439 8.623 -0.184 1
1 409 . 18 1 1 A 36 36 GLY HA2 H 36 3.321 4.108 -0.787 1
1 410 . 18 1 1 A 36 36 GLY HA3 H 36 4.444 4.110 0.334 1
1 411 . 18 1 1 A 36 36 GLY C C 36 175.743 174.660 1.083 1
1 412 . 18 1 1 A 36 36 GLY CA C 36 46.389 45.541 0.848 1
1 413 . 18 1 1 A 36 36 GLY N N 36 117.219 114.634 2.585 1
1 414 . 18 1 1 A 37 37 GLU H H 37 8.756 8.690 0.066 1
1 415 . 18 1 1 A 37 37 GLU HA H 37 4.277 4.140 0.137 1
1 420 . 18 1 1 A 37 37 GLU C C 37 174.413 176.514 -2.101 1
1 421 . 18 1 1 A 37 37 GLU CA C 37 58.568 57.775 0.793 1
1 422 . 18 1 1 A 37 37 GLU CB C 37 29.809 28.685 1.124 1
1 424 . 18 1 1 A 37 37 GLU N N 37 124.260 119.791 4.469 1
1 425 . 18 1 1 A 38 38 ARG H H 38 8.483 7.872 0.611 1
1 426 . 18 1 1 A 38 38 ARG HA H 38 4.594 4.585 0.009 1
1 434 . 18 1 1 A 38 38 ARG C C 38 175.250 176.461 -1.211 1
1 435 . 18 1 1 A 38 38 ARG CA C 38 54.916 55.382 -0.466 1
1 436 . 18 1 1 A 38 38 ARG CB C 38 29.706 31.235 -1.529 1
1 439 . 18 1 1 A 38 38 ARG N N 38 117.248 119.977 -2.729 1
1 441 . 18 1 1 A 39 39 SER H H 39 7.630 7.754 -0.124 1
1 442 . 18 1 1 A 39 39 SER HA H 39 4.139 4.412 -0.273 1
1 445 . 18 1 1 A 39 39 SER C C 39 176.694 173.899 2.795 1
1 446 . 18 1 1 A 39 39 SER CA C 39 59.524 60.406 -0.882 1
1 447 . 18 1 1 A 39 39 SER CB C 39 64.248 63.092 1.156 1
1 448 . 18 1 1 A 39 39 SER N N 39 115.086 115.969 -0.883 1
1 449 . 18 1 1 A 40 40 ALA H H 40 8.667 7.966 0.701 1
1 450 . 18 1 1 A 40 40 ALA HA H 40 4.267 4.024 0.243 1
1 454 . 18 1 1 A 40 40 ALA C C 40 174.406 176.389 -1.983 1
1 455 . 18 1 1 A 40 40 ALA CA C 40 52.641 53.869 -1.228 1
1 456 . 18 1 1 A 40 40 ALA CB C 40 17.976 18.224 -0.248 1
1 457 . 18 1 1 A 40 40 ALA N N 40 126.133 122.383 3.750 1
1 458 . 18 1 1 A 41 41 MET H H 41 7.793 7.782 0.011 1
1 459 . 18 1 1 A 41 41 MET HA H 41 4.389 4.635 -0.246 1
1 467 . 18 1 1 A 41 41 MET C C 41 176.689 175.621 1.068 1
1 468 . 18 1 1 A 41 41 MET CA C 41 55.965 54.619 1.346 1
1 469 . 18 1 1 A 41 41 MET CB C 41 34.761 33.550 1.211 1
1 472 . 18 1 1 A 41 41 MET N N 41 117.758 117.437 0.321 1
1 473 . 18 1 1 A 42 42 ASP H H 42 9.667 8.974 0.693 1
1 474 . 18 1 1 A 42 42 ASP HA H 42 4.706 4.672 0.034 1
1 477 . 18 1 1 A 42 42 ASP C C 42 174.559 177.444 -2.885 1
1 478 . 18 1 1 A 42 42 ASP CA C 42 53.363 54.040 -0.677 1
1 479 . 18 1 1 A 42 42 ASP CB C 42 41.740 40.140 1.600 1
1 480 . 18 1 1 A 42 42 ASP N N 42 125.565 122.397 3.168 1
1 481 . 18 1 1 A 43 43 LYS H H 43 8.928 8.570 0.358 1
1 482 . 18 1 1 A 43 43 LYS HA H 43 3.752 4.119 -0.367 1
1 491 . 18 1 1 A 43 43 LYS C C 43 173.737 178.333 -4.596 1
1 492 . 18 1 1 A 43 43 LYS CA C 43 60.966 59.207 1.759 1
1 493 . 18 1 1 A 43 43 LYS CB C 43 32.585 32.118 0.467 1
1 497 . 18 1 1 A 43 43 LYS N N 43 127.256 124.695 2.561 1
1 498 . 18 1 1 A 44 44 SER H H 44 8.327 8.046 0.281 1
1 499 . 18 1 1 A 44 44 SER HA H 44 4.009 4.095 -0.086 1
1 502 . 18 1 1 A 44 44 SER C C 44 174.032 175.948 -1.916 1
1 503 . 18 1 1 A 44 44 SER CA C 44 62.461 62.541 -0.080 1
1 504 . 18 1 1 A 44 44 SER CB C 44 62.281 63.111 -0.830 1
1 505 . 18 1 1 A 44 44 SER N N 44 114.797 117.557 -2.760 1
1 506 . 18 1 1 A 45 45 LEU H H 45 7.878 8.072 -0.194 1
1 507 . 18 1 1 A 45 45 LEU HA H 45 4.254 4.072 0.182 1
1 517 . 18 1 1 A 45 45 LEU C C 45 172.915 178.738 -5.823 1
1 518 . 18 1 1 A 45 45 LEU CA C 45 57.128 58.035 -0.907 1
1 519 . 18 1 1 A 45 45 LEU CB C 45 41.738 41.825 -0.087 1
1 523 . 18 1 1 A 45 45 LEU N N 45 124.570 122.801 1.769 1
1 524 . 18 1 1 A 46 46 PHE H H 46 8.343 8.450 -0.107 1
1 525 . 18 1 1 A 46 46 PHE HA H 46 3.882 4.230 -0.348 1
1 532 . 18 1 1 A 46 46 PHE C C 46 175.104 177.162 -2.058 1
1 533 . 18 1 1 A 46 46 PHE CA C 46 61.820 61.711 0.109 1
1 534 . 18 1 1 A 46 46 PHE CB C 46 40.047 39.335 0.712 1
1 537 . 18 1 1 A 46 46 PHE N N 46 121.059 119.327 1.732 1
1 538 . 18 1 1 A 47 47 VAL H H 47 8.370 8.026 0.344 1
1 539 . 18 1 1 A 47 47 VAL HA H 47 3.466 3.598 -0.132 1
1 547 . 18 1 1 A 47 47 VAL C C 47 173.353 177.776 -4.423 1
1 548 . 18 1 1 A 47 47 VAL CA C 47 67.220 64.621 2.599 1
1 549 . 18 1 1 A 47 47 VAL CB C 47 31.927 31.289 0.638 1
1 552 . 18 1 1 A 47 47 VAL N N 47 118.023 119.239 -1.216 1
1 553 . 18 1 1 A 48 48 SER H H 48 7.967 8.261 -0.294 1
1 554 . 18 1 1 A 48 48 SER HA H 48 4.268 4.031 0.237 1
1 557 . 18 1 1 A 48 48 SER C C 48 174.187 177.073 -2.886 1
1 558 . 18 1 1 A 48 48 SER CA C 48 61.789 61.488 0.301 1
1 559 . 18 1 1 A 48 48 SER CB C 48 62.761 63.040 -0.279 1
1 560 . 18 1 1 A 48 48 SER N N 48 114.372 116.722 -2.350 1
1 561 . 18 1 1 A 49 49 ALA H H 49 8.489 7.851 0.638 1
1 562 . 18 1 1 A 49 49 ALA HA H 49 3.931 3.886 0.045 1
1 566 . 18 1 1 A 49 49 ALA C C 49 172.626 179.375 -6.749 1
1 567 . 18 1 1 A 49 49 ALA CA C 49 55.067 54.870 0.197 1
1 568 . 18 1 1 A 49 49 ALA CB C 49 17.587 18.414 -0.827 1
1 569 . 18 1 1 A 49 49 ALA N N 49 124.199 123.228 0.971 1
1 570 . 18 1 1 A 50 50 PHE H H 50 8.510 8.436 0.074 1
1 571 . 18 1 1 A 50 50 PHE HA H 50 3.763 3.944 -0.181 1
1 578 . 18 1 1 A 50 50 PHE C C 50 174.923 177.080 -2.157 1
1 579 . 18 1 1 A 50 50 PHE CA C 50 63.098 61.520 1.578 1
1 580 . 18 1 1 A 50 50 PHE CB C 50 39.465 39.003 0.462 1
1 583 . 18 1 1 A 50 50 PHE N N 50 120.967 119.587 1.380 1
1 584 . 18 1 1 A 51 51 GLU H H 51 8.561 8.812 -0.251 1
1 585 . 18 1 1 A 51 51 GLU HA H 51 3.717 3.789 -0.072 1
1 590 . 18 1 1 A 51 51 GLU C C 51 173.002 179.234 -6.232 1
1 591 . 18 1 1 A 51 51 GLU CA C 51 59.750 59.274 0.476 1
1 592 . 18 1 1 A 51 51 GLU CB C 51 29.330 29.107 0.223 1
1 594 . 18 1 1 A 51 51 GLU N N 51 116.915 117.513 -0.598 1
1 595 . 18 1 1 A 52 52 THR H H 52 7.759 7.711 0.048 1
1 596 . 18 1 1 A 52 52 THR HA H 52 4.090 3.703 0.387 1
1 601 . 18 1 1 A 52 52 THR C C 52 174.897 175.896 -0.999 1
1 602 . 18 1 1 A 52 52 THR CA C 52 65.899 66.471 -0.572 1
1 603 . 18 1 1 A 52 52 THR CB C 52 69.172 68.262 0.910 1
1 605 . 18 1 1 A 52 52 THR N N 52 114.348 117.065 -2.717 1
1 606 . 18 1 1 A 53 53 PHE H H 53 8.725 7.555 1.170 1
1 607 . 18 1 1 A 53 53 PHE HA H 53 4.335 4.370 -0.035 1
1 614 . 18 1 1 A 53 53 PHE C C 53 172.389 177.537 -5.148 1
1 615 . 18 1 1 A 53 53 PHE CA C 53 60.011 61.457 -1.446 1
1 616 . 18 1 1 A 53 53 PHE CB C 53 38.244 37.745 0.499 1
1 619 . 18 1 1 A 53 53 PHE N N 53 120.493 118.146 2.347 1
1 620 . 18 1 1 A 54 54 ARG H H 54 8.579 7.806 0.773 1
1 621 . 18 1 1 A 54 54 ARG HA H 54 3.626 3.700 -0.074 1
1 625 . 18 1 1 A 54 54 ARG C C 54 175.195 178.920 -3.725 1
1 626 . 18 1 1 A 54 54 ARG CA C 54 59.252 59.219 0.033 1
1 627 . 18 1 1 A 54 54 ARG CB C 54 26.544 29.606 -3.062 1
1 629 . 18 1 1 A 54 54 ARG N N 54 119.132 121.821 -2.689 1
1 631 . 18 1 1 A 55 55 GLU H H 55 6.758 8.575 -1.817 1
1 632 . 18 1 1 A 55 55 GLU HA H 55 3.983 4.149 -0.166 1
1 637 . 18 1 1 A 55 55 GLU C C 55 174.356 179.285 -4.929 1
1 638 . 18 1 1 A 55 55 GLU CA C 55 58.002 58.609 -0.607 1
1 639 . 18 1 1 A 55 55 GLU CB C 55 29.865 29.311 0.554 1
1 641 . 18 1 1 A 55 55 GLU N N 55 115.466 118.151 -2.685 1
1 642 . 18 1 1 A 56 56 GLU H H 56 7.245 7.757 -0.512 1
1 643 . 18 1 1 A 56 56 GLU HA H 56 4.294 4.081 0.213 1
1 648 . 18 1 1 A 56 56 GLU C C 56 175.946 176.048 -0.102 1
1 649 . 18 1 1 A 56 56 GLU CA C 56 55.827 58.655 -2.828 1
1 650 . 18 1 1 A 56 56 GLU CB C 56 30.030 29.716 0.314 1
1 652 . 18 1 1 A 56 56 GLU N N 56 114.653 120.206 -5.553 1
1 653 . 18 1 1 A 57 57 SER H H 57 7.405 7.623 -0.218 1
1 654 . 18 1 1 A 57 57 SER HA H 57 4.707 4.873 -0.166 1
1 657 . 18 1 1 A 57 57 SER C C 57 176.895 174.175 2.720 1
1 658 . 18 1 1 A 57 57 SER CA C 57 55.456 57.650 -2.194 1
1 659 . 18 1 1 A 57 57 SER CB C 57 64.059 65.317 -1.258 1
1 660 . 18 1 1 A 57 57 SER N N 57 114.312 112.192 2.120 1
1 661 . 18 1 1 A 58 58 LEU H H 58 8.819 8.951 -0.132 1
1 662 . 18 1 1 A 58 58 LEU HA H 58 4.120 4.059 0.061 1
1 672 . 18 1 1 A 58 58 LEU C C 58 172.006 178.821 -6.815 1
1 673 . 18 1 1 A 58 58 LEU CA C 58 58.438 57.895 0.543 1
1 674 . 18 1 1 A 58 58 LEU CB C 58 41.839 41.343 0.496 1
1 678 . 18 1 1 A 58 58 LEU N N 58 129.477 127.039 2.438 1
1 679 . 18 1 1 A 59 59 VAL H H 59 7.929 7.871 0.058 1
1 680 . 18 1 1 A 59 59 VAL HA H 59 4.305 4.343 -0.038 1
1 688 . 18 1 1 A 59 59 VAL C C 59 173.624 178.007 -4.383 1
1 689 . 18 1 1 A 59 59 VAL CA C 59 64.028 63.699 0.329 1
1 690 . 18 1 1 A 59 59 VAL CB C 59 33.135 31.113 2.022 1
1 693 . 18 1 1 A 59 59 VAL N N 59 112.367 114.448 -2.081 1
1 694 . 18 1 1 A 60 60 CYS H H 60 7.786 7.755 0.031 1
1 695 . 18 1 1 A 60 60 CYS HA H 60 4.589 4.470 0.119 1
1 698 . 18 1 1 A 60 60 CYS C C 60 176.508 176.478 0.030 1
1 699 . 18 1 1 A 60 60 CYS CA C 60 59.907 62.158 -2.251 1
1 700 . 18 1 1 A 60 60 CYS CB C 60 28.211 27.156 1.055 1
1 701 . 18 1 1 A 60 60 CYS N N 60 115.412 120.011 -4.599 1
1 702 . 18 1 1 A 61 61 LYS H H 61 7.415 7.468 -0.053 1
1 703 . 18 1 1 A 61 61 LYS HA H 61 3.820 4.156 -0.336 1
1 712 . 18 1 1 A 61 61 LYS C C 61 175.812 176.031 -0.219 1
1 713 . 18 1 1 A 61 61 LYS CA C 61 60.389 58.131 2.258 1
1 714 . 18 1 1 A 61 61 LYS CB C 61 32.606 31.886 0.720 1
1 718 . 18 1 1 A 61 61 LYS N N 61 120.942 118.883 2.059 1
1 719 . 18 1 1 A 62 62 ASP C C 62 175.254 174.376 0.878 1
1 720 . 18 1 1 A 62 62 ASP CA C 62 55.159 52.954 2.205 1
1 721 . 18 1 1 A 62 62 ASP CB C 62 42.358 40.901 1.457 1
1 722 . 18 1 1 A 64 64 ILE H H 64 7.784 8.246 -0.462 1
1 723 . 18 1 1 A 64 64 ILE HA H 64 4.126 4.844 -0.718 1
1 733 . 18 1 1 A 64 64 ILE C C 64 177.456 174.624 2.832 1
1 734 . 18 1 1 A 64 64 ILE CA C 64 60.516 60.412 0.104 1
1 735 . 18 1 1 A 64 64 ILE CB C 64 39.990 42.308 -2.318 1
1 739 . 18 1 1 A 64 64 ILE N N 64 122.653 119.378 3.275 1
1 740 . 18 1 1 A 65 65 LEU H H 65 8.357 8.893 -0.536 1
1 741 . 18 1 1 A 65 65 LEU HA H 65 4.858 4.883 -0.025 1
1 751 . 18 1 1 A 65 65 LEU C C 65 176.625 174.702 1.923 1
1 752 . 18 1 1 A 65 65 LEU CA C 65 53.315 53.795 -0.480 1
1 753 . 18 1 1 A 65 65 LEU CB C 65 43.307 43.806 -0.499 1
1 757 . 18 1 1 A 65 65 LEU N N 65 128.311 130.023 -1.712 1
1 758 . 18 1 1 A 66 66 ASP H H 66 9.088 8.942 0.146 1
1 759 . 18 1 1 A 66 66 ASP HA H 66 5.009 4.885 0.124 1
1 762 . 18 1 1 A 66 66 ASP C C 66 177.504 175.158 2.346 1
1 763 . 18 1 1 A 66 66 ASP CA C 66 53.137 53.696 -0.559 1
1 764 . 18 1 1 A 66 66 ASP CB C 66 44.234 39.910 4.324 1
1 765 . 18 1 1 A 66 66 ASP N N 66 129.457 127.400 2.057 1
1 766 . 18 1 1 A 67 67 ILE H H 67 8.240 7.940 0.300 1
1 767 . 18 1 1 A 67 67 ILE HA H 67 4.759 4.345 0.414 1
1 777 . 18 1 1 A 67 67 ILE C C 67 175.569 175.488 0.081 1
1 778 . 18 1 1 A 67 67 ILE CA C 67 59.640 61.350 -1.710 1
1 779 . 18 1 1 A 67 67 ILE CB C 67 39.948 37.126 2.822 1
1 783 . 18 1 1 A 67 67 ILE N N 67 120.821 125.327 -4.506 1
1 784 . 18 1 1 A 68 68 VAL H H 68 9.310 9.012 0.298 1
1 785 . 18 1 1 A 68 68 VAL HA H 68 4.149 4.158 -0.009 1
1 793 . 18 1 1 A 68 68 VAL C C 68 176.697 175.435 1.262 1
1 794 . 18 1 1 A 68 68 VAL CA C 68 60.707 62.505 -1.798 1
1 795 . 18 1 1 A 68 68 VAL CB C 68 34.121 32.465 1.656 1
1 798 . 18 1 1 A 68 68 VAL N N 68 130.182 128.584 1.598 1
1 799 . 18 1 1 A 69 69 ASP H H 69 8.577 8.667 -0.090 1
1 800 . 18 1 1 A 69 69 ASP HA H 69 4.847 4.765 0.082 1
1 803 . 18 1 1 A 69 69 ASP C C 69 175.713 175.493 0.220 1
1 804 . 18 1 1 A 69 69 ASP CA C 69 54.357 54.084 0.273 1
1 805 . 18 1 1 A 69 69 ASP CB C 69 41.353 40.312 1.041 1
1 806 . 18 1 1 A 69 69 ASP N N 69 127.151 128.319 -1.168 1
1 807 . 18 1 1 A 70 70 GLU H H 70 7.857 8.777 -0.920 1
1 808 . 18 1 1 A 70 70 GLU HA H 70 4.563 4.350 0.213 1
1 813 . 18 1 1 A 70 70 GLU C C 70 176.179 176.386 -0.207 1
1 814 . 18 1 1 A 70 70 GLU CA C 70 56.333 56.421 -0.088 1
1 815 . 18 1 1 A 70 70 GLU CB C 70 31.503 30.278 1.225 1
1 817 . 18 1 1 A 70 70 GLU N N 70 123.503 124.149 -0.646 1
1 818 . 18 1 1 A 71 71 LYS H H 71 8.517 8.317 0.200 1
1 819 . 18 1 1 A 71 71 LYS HA H 71 4.261 4.418 -0.157 1
1 828 . 18 1 1 A 71 71 LYS C C 71 175.084 175.789 -0.705 1
1 829 . 18 1 1 A 71 71 LYS CA C 71 55.210 55.918 -0.708 1
1 830 . 18 1 1 A 71 71 LYS CB C 71 33.019 33.233 -0.214 1
1 834 . 18 1 1 A 71 71 LYS N N 71 124.197 120.808 3.389 1
1 835 . 18 1 1 A 72 72 VAL H H 72 8.612 7.985 0.627 1
1 836 . 18 1 1 A 72 72 VAL HA H 72 4.277 5.101 -0.824 1
1 844 . 18 1 1 A 72 72 VAL C C 72 176.529 174.787 1.742 1
1 845 . 18 1 1 A 72 72 VAL CA C 72 63.133 60.499 2.634 1
1 846 . 18 1 1 A 72 72 VAL CB C 72 32.188 34.916 -2.728 1
1 849 . 18 1 1 A 72 72 VAL N N 72 119.616 120.210 -0.594 1
1 850 . 18 1 1 A 73 73 GLU H H 73 7.750 8.635 -0.885 1
1 851 . 18 1 1 A 73 73 GLU HA H 73 4.469 4.827 -0.358 1
1 856 . 18 1 1 A 73 73 GLU C C 73 178.456 174.484 3.972 1
1 857 . 18 1 1 A 73 73 GLU CA C 73 55.241 54.877 0.364 1
1 858 . 18 1 1 A 73 73 GLU CB C 73 34.536 33.879 0.657 1
1 860 . 18 1 1 A 73 73 GLU N N 73 126.126 126.953 -0.827 1
1 861 . 18 1 1 A 74 74 LEU H H 74 8.495 9.202 -0.707 1
1 862 . 18 1 1 A 74 74 LEU HA H 74 5.207 4.917 0.290 1
1 869 . 18 1 1 A 74 74 LEU C C 74 176.827 176.250 0.577 1
1 870 . 18 1 1 A 74 74 LEU CA C 74 52.600 53.539 -0.939 1
1 871 . 18 1 1 A 74 74 LEU CB C 74 45.404 43.397 2.007 1
1 874 . 18 1 1 A 74 74 LEU N N 74 123.821 125.804 -1.983 1
1 875 . 18 1 1 A 75 75 GLU H H 75 8.770 8.464 0.306 1
1 876 . 18 1 1 A 75 75 GLU HA H 75 5.127 4.262 0.865 1
1 881 . 18 1 1 A 75 75 GLU C C 75 176.617 175.834 0.783 1
1 882 . 18 1 1 A 75 75 GLU CA C 75 53.748 56.010 -2.262 1
1 883 . 18 1 1 A 75 75 GLU CB C 75 33.910 30.465 3.445 1
1 885 . 18 1 1 A 75 75 GLU N N 75 118.723 125.286 -6.563 1
1 886 . 18 1 1 A 76 76 CYS H H 76 9.354 8.516 0.838 1
1 887 . 18 1 1 A 76 76 CYS HA H 76 4.665 4.547 0.118 1
1 890 . 18 1 1 A 76 76 CYS C C 76 173.085 175.552 -2.467 1
1 891 . 18 1 1 A 76 76 CYS CA C 76 59.386 58.580 0.806 1
1 892 . 18 1 1 A 76 76 CYS CB C 76 32.476 28.595 3.881 1
1 893 . 18 1 1 A 76 76 CYS N N 76 128.378 121.179 7.199 1
1 894 . 18 1 1 A 77 77 LYS H H 77 9.328 8.759 0.569 1
1 895 . 18 1 1 A 77 77 LYS HA H 77 4.279 4.093 0.186 1
1 904 . 18 1 1 A 77 77 LYS C C 77 174.709 176.872 -2.163 1
1 905 . 18 1 1 A 77 77 LYS CA C 77 56.997 59.186 -2.189 1
1 906 . 18 1 1 A 77 77 LYS CB C 77 31.240 32.633 -1.393 1
1 910 . 18 1 1 A 77 77 LYS N N 77 129.264 125.219 4.045 1
1 911 . 18 1 1 A 78 78 ASP H H 78 9.182 8.301 0.881 1
1 912 . 18 1 1 A 78 78 ASP HA H 78 4.945 4.729 0.216 1
1 915 . 18 1 1 A 78 78 ASP C C 78 173.961 174.536 -0.575 1
1 916 . 18 1 1 A 78 78 ASP CA C 78 56.797 53.304 3.493 1
1 917 . 18 1 1 A 78 78 ASP CB C 78 42.214 41.017 1.197 1
1 918 . 18 1 1 A 78 78 ASP N N 78 122.206 118.396 3.810 1
1 919 . 18 1 1 A 79 79 CYS H H 79 9.871 7.985 1.886 1
1 920 . 18 1 1 A 79 79 CYS HA H 79 5.165 4.848 0.317 1
1 923 . 18 1 1 A 79 79 CYS C C 79 174.253 172.526 1.727 1
1 924 . 18 1 1 A 79 79 CYS CA C 79 59.123 57.739 1.384 1
1 925 . 18 1 1 A 79 79 CYS CB C 79 32.286 30.697 1.589 1
1 926 . 18 1 1 A 79 79 CYS N N 79 124.020 120.328 3.692 1
1 927 . 18 1 1 A 80 80 SER H H 80 7.667 8.714 -1.047 1
1 928 . 18 1 1 A 80 80 SER HA H 80 4.564 4.887 -0.323 1
1 931 . 18 1 1 A 80 80 SER C C 80 178.621 173.564 5.057 1
1 932 . 18 1 1 A 80 80 SER CA C 80 62.038 57.215 4.823 1
1 933 . 18 1 1 A 80 80 SER CB C 80 62.215 64.150 -1.935 1
1 934 . 18 1 1 A 80 80 SER N N 80 115.904 115.757 0.147 1
1 935 . 18 1 1 A 81 81 HIS H H 81 8.916 7.516 1.400 1
1 936 . 18 1 1 A 81 81 HIS HA H 81 4.649 5.050 -0.401 1
1 941 . 18 1 1 A 81 81 HIS C C 81 178.299 173.168 5.131 1
1 942 . 18 1 1 A 81 81 HIS CA C 81 58.348 55.027 3.321 1
1 943 . 18 1 1 A 81 81 HIS CB C 81 33.016 33.706 -0.690 1
1 946 . 18 1 1 A 81 81 HIS N N 81 125.397 120.812 4.585 1
1 949 . 18 1 1 A 82 82 VAL H H 82 7.058 8.192 -1.134 1
1 950 . 18 1 1 A 82 82 VAL HA H 82 5.212 4.933 0.279 1
1 958 . 18 1 1 A 82 82 VAL C C 82 176.161 173.930 2.231 1
1 959 . 18 1 1 A 82 82 VAL CA C 82 60.567 59.432 1.135 1
1 960 . 18 1 1 A 82 82 VAL CB C 82 34.355 35.852 -1.497 1
1 963 . 18 1 1 A 82 82 VAL N N 82 125.314 119.851 5.463 1
1 964 . 18 1 1 A 83 83 PHE H H 83 8.883 8.567 0.316 1
1 965 . 18 1 1 A 83 83 PHE HA H 83 4.842 5.243 -0.401 1
1 972 . 18 1 1 A 83 83 PHE C C 83 179.687 172.799 6.888 1
1 973 . 18 1 1 A 83 83 PHE CA C 83 55.495 55.461 0.034 1
1 974 . 18 1 1 A 83 83 PHE CB C 83 40.651 41.540 -0.889 1
1 978 . 18 1 1 A 83 83 PHE N N 83 122.377 118.985 3.392 1
1 979 . 18 1 1 A 84 84 LYS H H 84 8.658 8.805 -0.147 1
1 980 . 18 1 1 A 84 84 LYS HA H 84 5.001 4.894 0.107 1
1 989 . 18 1 1 A 84 84 LYS C C 84 176.705 175.189 1.516 1
1 990 . 18 1 1 A 84 84 LYS CA C 84 52.738 53.810 -1.072 1
1 991 . 18 1 1 A 84 84 LYS CB C 84 32.660 33.825 -1.165 1
1 995 . 18 1 1 A 84 84 LYS N N 84 121.116 117.828 3.288 1
1 996 . 18 1 1 A 85 85 PRO HA H 85 4.663 4.614 0.049 1
1 1003 . 18 1 1 A 85 85 PRO C C 85 174.722 177.228 -2.506 1
1 1004 . 18 1 1 A 85 85 PRO CA C 85 62.633 63.525 -0.892 1
1 1005 . 18 1 1 A 85 85 PRO CB C 85 32.712 32.522 0.190 1
1 1008 . 18 1 1 A 86 86 ASN H H 86 8.983 9.031 -0.048 1
1 1009 . 18 1 1 A 86 86 ASN HA H 86 4.704 4.653 0.051 1
1 1014 . 18 1 1 A 86 86 ASN C C 86 176.576 175.016 1.560 1
1 1015 . 18 1 1 A 86 86 ASN CA C 86 53.552 54.755 -1.203 1
1 1016 . 18 1 1 A 86 86 ASN CB C 86 39.208 38.157 1.051 1
1 1017 . 18 1 1 A 86 86 ASN N N 86 119.549 119.542 0.007 1
1 1019 . 18 1 1 A 87 87 ALA H H 87 8.122 7.917 0.205 1
1 1020 . 18 1 1 A 87 87 ALA HA H 87 4.369 4.332 0.037 1
1 1024 . 18 1 1 A 87 87 ALA C C 87 174.154 178.473 -4.319 1
1 1025 . 18 1 1 A 87 87 ALA CA C 87 52.560 52.666 -0.106 1
1 1026 . 18 1 1 A 87 87 ALA CB C 87 19.660 19.041 0.619 1
1 1027 . 18 1 1 A 87 87 ALA N N 87 122.483 123.022 -0.539 1
1 1028 . 18 1 1 A 88 88 LEU H H 88 8.195 8.459 -0.264 1
1 1029 . 18 1 1 A 88 88 LEU HA H 88 4.192 4.169 0.023 1
1 1039 . 18 1 1 A 88 88 LEU C C 88 174.871 178.662 -3.791 1
1 1040 . 18 1 1 A 88 88 LEU CA C 88 55.691 57.577 -1.886 1
1 1041 . 18 1 1 A 88 88 LEU CB C 88 41.708 42.116 -0.408 1
1 1045 . 18 1 1 A 88 88 LEU N N 88 118.730 121.023 -2.293 1
1 1046 . 18 1 1 A 89 89 ASP H H 89 7.902 7.936 -0.034 1
1 1047 . 18 1 1 A 89 89 ASP HA H 89 4.601 4.203 0.398 1
1 1050 . 18 1 1 A 89 89 ASP C C 89 175.940 176.042 -0.102 1
1 1051 . 18 1 1 A 89 89 ASP CA C 89 53.641 55.874 -2.233 1
1 1052 . 18 1 1 A 89 89 ASP CB C 89 40.953 40.342 0.611 1
1 1053 . 18 1 1 A 89 89 ASP N N 89 118.577 119.322 -0.745 1
1 1054 . 18 1 1 A 90 90 TYR H H 90 7.922 7.844 0.078 1
1 1055 . 18 1 1 A 90 90 TYR HA H 90 4.551 4.871 -0.320 1
1 1062 . 18 1 1 A 90 90 TYR C C 90 175.338 176.737 -1.399 1
1 1063 . 18 1 1 A 90 90 TYR CA C 90 57.505 56.537 0.968 1
1 1064 . 18 1 1 A 90 90 TYR CB C 90 38.147 37.492 0.655 1
1 1067 . 18 1 1 A 90 90 TYR N N 90 121.632 117.471 4.161 1
1 1068 . 18 1 1 A 91 91 GLY H H 91 8.313 8.343 -0.030 1
1 1069 . 18 1 1 A 91 91 GLY HA2 H 91 3.966 4.001 -0.035 1
1 1070 . 18 1 1 A 91 91 GLY HA3 H 91 3.784 4.019 -0.235 1
1 1071 . 18 1 1 A 91 91 GLY C C 91 178.622 174.362 4.260 1
1 1072 . 18 1 1 A 91 91 GLY CA C 91 45.916 45.825 0.091 1
1 1073 . 18 1 1 A 91 91 GLY N N 91 108.097 109.193 -1.096 1
1 1074 . 18 1 1 A 92 92 VAL H H 92 7.078 7.599 -0.521 1
1 1075 . 18 1 1 A 92 92 VAL HA H 92 4.810 4.292 0.518 1
1 1083 . 18 1 1 A 92 92 VAL C C 92 176.954 175.765 1.189 1
1 1084 . 18 1 1 A 92 92 VAL CA C 92 59.083 61.653 -2.570 1
1 1085 . 18 1 1 A 92 92 VAL CB C 92 35.602 33.143 2.459 1
1 1088 . 18 1 1 A 92 92 VAL N N 92 113.901 118.325 -4.424 1
1 1089 . 18 1 1 A 93 93 CYS H H 93 9.086 8.598 0.488 1
1 1090 . 18 1 1 A 93 93 CYS HA H 93 4.118 4.811 -0.693 1
1 1093 . 18 1 1 A 93 93 CYS C C 93 173.477 175.939 -2.462 1
1 1094 . 18 1 1 A 93 93 CYS CA C 93 60.511 59.890 0.621 1
1 1095 . 18 1 1 A 93 93 CYS CB C 93 31.124 28.800 2.324 1
1 1096 . 18 1 1 A 93 93 CYS N N 93 126.248 122.526 3.722 1
1 1097 . 18 1 1 A 94 94 GLU H H 94 5.667 8.961 -3.294 1
1 1098 . 18 1 1 A 94 94 GLU HA H 94 4.073 3.971 0.102 1
1 1103 . 18 1 1 A 94 94 GLU C C 94 176.973 178.356 -1.383 1
1 1104 . 18 1 1 A 94 94 GLU CA C 94 57.434 59.645 -2.211 1
1 1105 . 18 1 1 A 94 94 GLU CB C 94 28.813 29.236 -0.423 1
1 1107 . 18 1 1 A 94 94 GLU N N 94 126.541 127.302 -0.761 1
1 1108 . 18 1 1 A 95 95 LYS H H 95 9.002 7.094 1.908 1
1 1109 . 18 1 1 A 95 95 LYS HA H 95 4.076 4.134 -0.058 1
1 1118 . 18 1 1 A 95 95 LYS C C 95 174.890 176.720 -1.830 1
1 1119 . 18 1 1 A 95 95 LYS CA C 95 57.782 58.529 -0.747 1
1 1120 . 18 1 1 A 95 95 LYS CB C 95 34.056 32.880 1.176 1
1 1124 . 18 1 1 A 95 95 LYS N N 95 123.753 118.385 5.368 1
1 1125 . 18 1 1 A 96 96 CYS H H 96 9.063 7.573 1.490 1
1 1126 . 18 1 1 A 96 96 CYS HA H 96 4.755 4.553 0.202 1
1 1129 . 18 1 1 A 96 96 CYS C C 96 174.775 174.019 0.756 1
1 1130 . 18 1 1 A 96 96 CYS CA C 96 58.756 57.170 1.586 1
1 1131 . 18 1 1 A 96 96 CYS CB C 96 32.066 29.432 2.634 1
1 1132 . 18 1 1 A 96 96 CYS N N 96 120.699 115.261 5.438 1
1 1133 . 18 1 1 A 97 97 HIS H H 97 7.541 8.614 -1.073 1
1 1134 . 18 1 1 A 97 97 HIS HA H 97 4.474 4.748 -0.274 1
1 1139 . 18 1 1 A 97 97 HIS C C 97 178.193 174.227 3.966 1
1 1140 . 18 1 1 A 97 97 HIS CA C 97 57.481 54.549 2.932 1
1 1141 . 18 1 1 A 97 97 HIS CB C 97 27.126 27.339 -0.213 1
1 1144 . 18 1 1 A 97 97 HIS N N 97 116.676 123.930 -7.254 1
1 1147 . 18 1 1 A 98 98 SER H H 98 8.775 7.882 0.893 1
1 1148 . 18 1 1 A 98 98 SER HA H 98 4.322 5.051 -0.729 1
1 1151 . 18 1 1 A 98 98 SER C C 98 176.432 173.607 2.825 1
1 1152 . 18 1 1 A 98 98 SER CA C 98 58.923 57.381 1.542 1
1 1153 . 18 1 1 A 98 98 SER CB C 98 64.790 66.773 -1.983 1
1 1154 . 18 1 1 A 98 98 SER N N 98 116.989 116.352 0.637 1
1 1155 . 18 1 1 A 99 99 LYS H H 99 8.567 8.853 -0.286 1
1 1156 . 18 1 1 A 99 99 LYS HA H 99 4.935 4.625 0.310 1
1 1165 . 18 1 1 A 99 99 LYS C C 99 173.648 177.217 -3.569 1
1 1166 . 18 1 1 A 99 99 LYS CA C 99 56.417 56.288 0.129 1
1 1167 . 18 1 1 A 99 99 LYS CB C 99 32.366 32.147 0.219 1
1 1171 . 18 1 1 A 99 99 LYS N N 99 122.510 122.866 -0.356 1
1 1172 . 18 1 1 A 100 100 ASN H H 100 9.426 8.420 1.006 1
1 1173 . 18 1 1 A 100 100 ASN HA H 100 4.916 4.593 0.323 1
1 1178 . 18 1 1 A 100 100 ASN C C 100 178.498 175.510 2.988 1
1 1179 . 18 1 1 A 100 100 ASN CA C 100 51.999 53.896 -1.897 1
1 1180 . 18 1 1 A 100 100 ASN CB C 100 36.539 37.624 -1.085 1
1 1181 . 18 1 1 A 100 100 ASN N N 100 124.489 117.694 6.795 1
1 1183 . 18 1 1 A 101 101 VAL H H 101 7.627 7.468 0.159 1
1 1184 . 18 1 1 A 101 101 VAL HA H 101 5.329 4.122 1.207 1
1 1192 . 18 1 1 A 101 101 VAL C C 101 175.484 176.021 -0.537 1
1 1193 . 18 1 1 A 101 101 VAL CA C 101 58.253 62.259 -4.006 1
1 1194 . 18 1 1 A 101 101 VAL CB C 101 34.692 32.395 2.297 1
1 1197 . 18 1 1 A 101 101 VAL N N 101 112.585 119.268 -6.683 1
1 1198 . 18 1 1 A 102 102 ILE H H 102 9.032 8.863 0.169 1
1 1199 . 18 1 1 A 102 102 ILE HA H 102 4.671 4.807 -0.136 1
1 1209 . 18 1 1 A 102 102 ILE C C 102 177.283 174.875 2.408 1
1 1210 . 18 1 1 A 102 102 ILE CA C 102 58.979 58.448 0.531 1
1 1211 . 18 1 1 A 102 102 ILE CB C 102 41.970 41.964 0.006 1
1 1215 . 18 1 1 A 102 102 ILE N N 102 119.819 120.136 -0.317 1
1 1216 . 18 1 1 A 103 103 ILE H H 103 8.364 8.865 -0.501 1
1 1217 . 18 1 1 A 103 103 ILE HA H 103 4.527 4.076 0.451 1
1 1227 . 18 1 1 A 103 103 ILE C C 103 174.186 176.400 -2.214 1
1 1228 . 18 1 1 A 103 103 ILE CA C 103 61.366 61.655 -0.289 1
1 1229 . 18 1 1 A 103 103 ILE CB C 103 38.577 36.988 1.589 1
1 1233 . 18 1 1 A 103 103 ILE N N 103 123.325 124.714 -1.389 1
1 1234 . 18 1 1 A 104 104 THR H H 104 8.796 8.729 0.067 1
1 1235 . 18 1 1 A 104 104 THR HA H 104 4.260 4.319 -0.059 1
1 1240 . 18 1 1 A 104 104 THR C C 104 176.317 173.870 2.447 1
1 1241 . 18 1 1 A 104 104 THR CA C 104 62.708 63.494 -0.786 1
1 1242 . 18 1 1 A 104 104 THR CB C 104 68.431 69.713 -1.282 1
1 1244 . 18 1 1 A 104 104 THR N N 104 120.825 123.603 -2.778 1
1 1245 . 18 1 1 A 105 105 GLN H H 105 7.705 7.703 0.002 1
1 1246 . 18 1 1 A 105 105 GLN HA H 105 4.482 4.500 -0.018 1
1 1253 . 18 1 1 A 105 105 GLN C C 105 177.316 175.233 2.083 1
1 1254 . 18 1 1 A 105 105 GLN CA C 105 55.621 55.565 0.056 1
1 1255 . 18 1 1 A 105 105 GLN CB C 105 31.897 31.480 0.417 1
1 1257 . 18 1 1 A 105 105 GLN N N 105 118.599 119.892 -1.293 1
1 1259 . 18 1 1 A 106 106 GLY H H 106 9.091 8.789 0.302 1
1 1260 . 18 1 1 A 106 106 GLY HA2 H 106 3.472 4.016 -0.544 1
1 1261 . 18 1 1 A 106 106 GLY HA3 H 106 4.255 4.018 0.237 1
1 1262 . 18 1 1 A 106 106 GLY C C 106 178.226 175.249 2.977 1
1 1263 . 18 1 1 A 106 106 GLY CA C 106 45.497 45.919 -0.422 1
1 1264 . 18 1 1 A 106 106 GLY N N 106 106.938 114.978 -8.040 1
1 1265 . 18 1 1 A 107 107 ASN H H 107 8.542 7.981 0.561 1
1 1266 . 18 1 1 A 107 107 ASN HA H 107 4.670 4.361 0.309 1
1 1271 . 18 1 1 A 107 107 ASN C C 107 176.917 174.754 2.163 1
1 1272 . 18 1 1 A 107 107 ASN CA C 107 52.697 55.826 -3.129 1
1 1273 . 18 1 1 A 107 107 ASN CB C 107 39.745 39.150 0.595 1
1 1274 . 18 1 1 A 107 107 ASN N N 107 117.838 120.048 -2.210 1
1 1276 . 18 1 1 A 108 108 GLU H H 108 8.050 7.765 0.285 1
1 1277 . 18 1 1 A 108 108 GLU HA H 108 4.638 4.747 -0.109 1
1 1282 . 18 1 1 A 108 108 GLU C C 108 176.463 174.905 1.558 1
1 1283 . 18 1 1 A 108 108 GLU CA C 108 55.693 54.547 1.146 1
1 1284 . 18 1 1 A 108 108 GLU CB C 108 32.643 34.640 -1.997 1
1 1286 . 18 1 1 A 108 108 GLU N N 108 118.542 115.442 3.100 1
1 1287 . 18 1 1 A 109 109 MET H H 109 8.431 8.594 -0.163 1
1 1288 . 18 1 1 A 109 109 MET HA H 109 5.236 4.525 0.711 1
1 1296 . 18 1 1 A 109 109 MET C C 109 176.443 175.523 0.920 1
1 1297 . 18 1 1 A 109 109 MET CA C 109 54.801 55.906 -1.105 1
1 1298 . 18 1 1 A 109 109 MET CB C 109 33.115 33.266 -0.151 1
1 1301 . 18 1 1 A 109 109 MET N N 109 121.401 122.686 -1.285 1
1 1302 . 18 1 1 A 110 110 ARG H H 110 9.166 8.870 0.296 1
1 1303 . 18 1 1 A 110 110 ARG HA H 110 4.771 4.961 -0.190 1
1 1311 . 18 1 1 A 110 110 ARG C C 110 177.215 174.842 2.373 1
1 1312 . 18 1 1 A 110 110 ARG CA C 110 54.826 54.158 0.668 1
1 1313 . 18 1 1 A 110 110 ARG CB C 110 33.474 33.856 -0.382 1
1 1316 . 18 1 1 A 110 110 ARG N N 110 123.271 121.000 2.271 1
1 1318 . 18 1 1 A 111 111 LEU H H 111 8.874 8.498 0.376 1
1 1319 . 18 1 1 A 111 111 LEU HA H 111 4.335 4.408 -0.073 1
1 1329 . 18 1 1 A 111 111 LEU C C 111 175.976 176.642 -0.666 1
1 1330 . 18 1 1 A 111 111 LEU CA C 111 55.633 54.695 0.938 1
1 1331 . 18 1 1 A 111 111 LEU CB C 111 42.413 43.068 -0.655 1
1 1335 . 18 1 1 A 111 111 LEU N N 111 125.212 118.255 6.957 1
1 1336 . 18 1 1 A 112 112 LEU HA H 112 4.432 4.414 0.018 1
1 1346 . 18 1 1 A 112 112 LEU C C 112 173.898 176.514 -2.616 1
1 1347 . 18 1 1 A 112 112 LEU CA C 112 56.230 55.927 0.303 1
1 1348 . 18 1 1 A 112 112 LEU CB C 112 42.688 43.074 -0.386 1
1 1352 . 18 1 1 A 113 113 SER H H 113 7.895 7.086 0.809 1
1 1353 . 18 1 1 A 113 113 SER HA H 113 4.509 4.630 -0.121 1
1 1356 . 18 1 1 A 113 113 SER C C 113 180.240 172.038 8.202 1
1 1357 . 18 1 1 A 113 113 SER CA C 113 58.129 57.190 0.939 1
1 1358 . 18 1 1 A 113 113 SER CB C 113 64.473 64.963 -0.490 1
1 1359 . 18 1 1 A 113 113 SER N N 113 110.894 109.312 1.582 1
1 1360 . 18 1 1 A 114 114 LEU H H 114 8.151 8.476 -0.325 1
1 1361 . 18 1 1 A 114 114 LEU HA H 114 5.086 5.188 -0.102 1
1 1371 . 18 1 1 A 114 114 LEU C C 114 175.777 175.560 0.217 1
1 1372 . 18 1 1 A 114 114 LEU CA C 114 53.830 53.584 0.246 1
1 1373 . 18 1 1 A 114 114 LEU CB C 114 46.471 46.156 0.315 1
1 1377 . 18 1 1 A 114 114 LEU N N 114 120.671 122.754 -2.083 1
1 1378 . 18 1 1 A 115 115 GLU H H 115 8.666 8.755 -0.089 1
1 1379 . 18 1 1 A 115 115 GLU HA H 115 4.823 5.188 -0.365 1
1 1384 . 18 1 1 A 115 115 GLU C C 115 175.727 175.416 0.311 1
1 1385 . 18 1 1 A 115 115 GLU CA C 115 55.127 54.541 0.586 1
1 1386 . 18 1 1 A 115 115 GLU CB C 115 31.063 33.759 -2.696 1
1 1388 . 18 1 1 A 115 115 GLU N N 115 122.105 119.325 2.780 1
1 1389 . 18 1 1 A 116 116 MET H H 116 9.159 8.563 0.596 1
1 1390 . 18 1 1 A 116 116 MET HA H 116 4.989 5.176 -0.187 1
1 1398 . 18 1 1 A 116 116 MET C C 116 177.447 174.830 2.617 1
1 1399 . 18 1 1 A 116 116 MET CA C 116 54.669 54.762 -0.093 1
1 1400 . 18 1 1 A 116 116 MET CB C 116 36.107 36.567 -0.460 1
1 1403 . 18 1 1 A 116 116 MET N N 116 123.947 121.553 2.394 1
1 1404 . 18 1 1 A 117 117 LEU H H 117 8.573 8.836 -0.263 1
1 1405 . 18 1 1 A 117 117 LEU HA H 117 4.670 4.966 -0.296 1
1 1412 . 18 1 1 A 117 117 LEU C C 117 175.990 176.119 -0.129 1
1 1413 . 18 1 1 A 117 117 LEU CA C 117 54.549 53.316 1.233 1
1 1414 . 18 1 1 A 117 117 LEU CB C 117 44.045 46.460 -2.415 1
1 1417 . 18 1 1 A 117 117 LEU N N 117 122.478 124.242 -1.764 1
1 1418 . 18 1 1 A 118 118 ALA H H 118 8.714 8.356 0.358 1
1 1419 . 18 1 1 A 118 118 ALA HA H 118 4.604 4.404 0.200 1
1 1423 . 18 1 1 A 118 118 ALA C C 118 175.279 178.128 -2.849 1
1 1424 . 18 1 1 A 118 118 ALA CA C 118 52.155 52.919 -0.764 1
1 1425 . 18 1 1 A 118 118 ALA CB C 118 20.444 20.902 -0.458 1
1 1426 . 18 1 1 A 118 118 ALA N N 118 127.701 123.327 4.374 1
1 4 . 19 1 1 A 2 2 SER HA H 2 4.544 5.178 -0.634 1
1 7 . 19 1 1 A 2 2 SER CA C 2 58.424 56.847 1.577 1
1 8 . 19 1 1 A 2 2 SER CB C 2 64.017 64.817 -0.800 1
1 13 . 19 1 1 A 4 4 HIS HA H 4 4.504 4.613 -0.109 1
1 17 . 19 1 1 A 4 4 HIS C C 4 175.043 176.356 -1.313 1
1 18 . 19 1 1 A 4 4 HIS CA C 4 58.574 57.224 1.350 1
1 19 . 19 1 1 A 4 4 HIS CB C 4 30.859 30.850 0.009 1
1 20 . 19 1 1 A 5 5 GLU H H 5 10.002 8.194 1.808 1
1 21 . 19 1 1 A 5 5 GLU HA H 5 3.831 3.903 -0.072 1
1 26 . 19 1 1 A 5 5 GLU C C 5 173.758 178.055 -4.297 1
1 27 . 19 1 1 A 5 5 GLU CA C 5 61.822 59.417 2.405 1
1 28 . 19 1 1 A 5 5 GLU CB C 5 28.884 29.315 -0.431 1
1 30 . 19 1 1 A 5 5 GLU N N 5 120.850 121.190 -0.340 1
1 31 . 19 1 1 A 6 6 TYR H H 6 8.163 7.664 0.499 1
1 32 . 19 1 1 A 6 6 TYR HA H 6 4.066 4.575 -0.509 1
1 39 . 19 1 1 A 6 6 TYR C C 6 173.754 177.081 -3.327 1
1 40 . 19 1 1 A 6 6 TYR CA C 6 61.029 59.310 1.719 1
1 41 . 19 1 1 A 6 6 TYR CB C 6 37.391 37.752 -0.361 1
1 44 . 19 1 1 A 6 6 TYR N N 6 117.171 118.930 -1.759 1
1 45 . 19 1 1 A 7 7 SER H H 7 7.929 8.098 -0.169 1
1 46 . 19 1 1 A 7 7 SER HA H 7 4.265 4.166 0.099 1
1 49 . 19 1 1 A 7 7 SER C C 7 174.434 177.309 -2.875 1
1 50 . 19 1 1 A 7 7 SER CA C 7 61.471 61.770 -0.299 1
1 51 . 19 1 1 A 7 7 SER CB C 7 62.686 63.233 -0.547 1
1 52 . 19 1 1 A 7 7 SER N N 7 116.417 116.674 -0.257 1
1 53 . 19 1 1 A 8 8 VAL H H 8 8.088 8.242 -0.154 1
1 54 . 19 1 1 A 8 8 VAL HA H 8 3.795 3.823 -0.028 1
1 62 . 19 1 1 A 8 8 VAL C C 8 172.652 177.985 -5.333 1
1 63 . 19 1 1 A 8 8 VAL CA C 8 66.036 65.657 0.379 1
1 64 . 19 1 1 A 8 8 VAL CB C 8 31.811 31.260 0.551 1
1 67 . 19 1 1 A 8 8 VAL N N 8 122.514 120.096 2.418 1
1 68 . 19 1 1 A 9 9 VAL H H 9 8.255 8.340 -0.085 1
1 69 . 19 1 1 A 9 9 VAL HA H 9 3.539 3.756 -0.217 1
1 77 . 19 1 1 A 9 9 VAL C C 9 174.142 178.032 -3.890 1
1 78 . 19 1 1 A 9 9 VAL CA C 9 67.201 67.108 0.093 1
1 79 . 19 1 1 A 9 9 VAL CB C 9 30.859 31.694 -0.835 1
1 82 . 19 1 1 A 9 9 VAL N N 9 120.829 122.097 -1.268 1
1 83 . 19 1 1 A 10 10 SER H H 10 8.179 8.225 -0.046 1
1 84 . 19 1 1 A 10 10 SER HA H 10 3.726 3.886 -0.160 1
1 87 . 19 1 1 A 10 10 SER C C 10 173.669 177.280 -3.611 1
1 88 . 19 1 1 A 10 10 SER CA C 10 62.397 61.498 0.899 1
1 89 . 19 1 1 A 10 10 SER CB C 10 62.470 62.900 -0.430 1
1 90 . 19 1 1 A 10 10 SER N N 10 115.937 115.446 0.491 1
1 91 . 19 1 1 A 11 11 SER H H 11 7.860 8.165 -0.305 1
1 92 . 19 1 1 A 11 11 SER HA H 11 4.312 4.148 0.164 1
1 95 . 19 1 1 A 11 11 SER C C 11 174.888 177.456 -2.568 1
1 96 . 19 1 1 A 11 11 SER CA C 11 61.863 61.747 0.116 1
1 97 . 19 1 1 A 11 11 SER CB C 11 62.638 63.261 -0.623 1
1 98 . 19 1 1 A 11 11 SER N N 11 117.940 115.537 2.403 1
1 99 . 19 1 1 A 12 12 LEU H H 12 8.197 8.448 -0.251 1
1 100 . 19 1 1 A 12 12 LEU HA H 12 4.331 3.951 0.380 1
1 110 . 19 1 1 A 12 12 LEU C C 12 172.791 179.242 -6.451 1
1 111 . 19 1 1 A 12 12 LEU CA C 12 58.035 58.263 -0.228 1
1 112 . 19 1 1 A 12 12 LEU CB C 12 42.062 42.458 -0.396 1
1 116 . 19 1 1 A 12 12 LEU N N 12 125.411 121.709 3.702 1
1 117 . 19 1 1 A 13 13 ILE H H 13 8.689 8.357 0.332 1
1 118 . 19 1 1 A 13 13 ILE HA H 13 3.654 3.683 -0.029 1
1 128 . 19 1 1 A 13 13 ILE C C 13 173.945 178.091 -4.146 1
1 129 . 19 1 1 A 13 13 ILE CA C 13 65.287 65.846 -0.559 1
1 130 . 19 1 1 A 13 13 ILE CB C 13 36.843 37.790 -0.947 1
1 134 . 19 1 1 A 13 13 ILE N N 13 121.352 118.524 2.828 1
1 135 . 19 1 1 A 14 14 ALA H H 14 7.692 8.245 -0.553 1
1 136 . 19 1 1 A 14 14 ALA HA H 14 4.218 4.100 0.118 1
1 140 . 19 1 1 A 14 14 ALA C C 14 170.805 179.822 -9.017 1
1 141 . 19 1 1 A 14 14 ALA CA C 14 55.484 55.440 0.044 1
1 142 . 19 1 1 A 14 14 ALA CB C 14 17.698 18.418 -0.720 1
1 143 . 19 1 1 A 14 14 ALA N N 14 121.374 122.882 -1.508 1
1 144 . 19 1 1 A 15 15 LEU H H 15 8.040 8.220 -0.180 1
1 145 . 19 1 1 A 15 15 LEU HA H 15 4.253 4.040 0.213 1
1 152 . 19 1 1 A 15 15 LEU C C 15 171.818 178.465 -6.647 1
1 153 . 19 1 1 A 15 15 LEU CA C 15 58.208 57.824 0.384 1
1 154 . 19 1 1 A 15 15 LEU CB C 15 42.286 41.491 0.795 1
1 157 . 19 1 1 A 15 15 LEU N N 15 121.328 119.382 1.946 1
1 158 . 19 1 1 A 16 16 CYS H H 16 8.587 8.750 -0.163 1
1 159 . 19 1 1 A 16 16 CYS HA H 16 3.954 4.222 -0.268 1
1 162 . 19 1 1 A 16 16 CYS C C 16 174.494 177.291 -2.797 1
1 163 . 19 1 1 A 16 16 CYS CA C 16 64.933 63.762 1.171 1
1 164 . 19 1 1 A 16 16 CYS CB C 16 26.960 26.827 0.133 1
1 165 . 19 1 1 A 16 16 CYS N N 16 118.908 117.458 1.450 1
1 166 . 19 1 1 A 17 17 GLU H H 17 8.576 8.228 0.348 1
1 167 . 19 1 1 A 17 17 GLU HA H 17 3.806 4.027 -0.221 1
1 172 . 19 1 1 A 17 17 GLU C C 17 172.225 178.805 -6.580 1
1 173 . 19 1 1 A 17 17 GLU CA C 17 60.306 59.779 0.527 1
1 174 . 19 1 1 A 17 17 GLU CB C 17 29.130 29.112 0.018 1
1 176 . 19 1 1 A 17 17 GLU N N 17 118.419 121.988 -3.569 1
1 177 . 19 1 1 A 18 18 GLU H H 18 8.156 8.213 -0.057 1
1 178 . 19 1 1 A 18 18 GLU HA H 18 4.115 4.019 0.096 1
1 183 . 19 1 1 A 18 18 GLU C C 18 172.241 179.208 -6.967 1
1 184 . 19 1 1 A 18 18 GLU CA C 18 59.507 59.390 0.117 1
1 185 . 19 1 1 A 18 18 GLU CB C 18 29.335 29.400 -0.065 1
1 187 . 19 1 1 A 18 18 GLU N N 18 121.603 119.594 2.009 1
1 188 . 19 1 1 A 19 19 HIS H H 19 8.379 8.002 0.377 1
1 189 . 19 1 1 A 19 19 HIS HA H 19 4.174 4.381 -0.207 1
1 194 . 19 1 1 A 19 19 HIS C C 19 172.511 177.956 -5.445 1
1 195 . 19 1 1 A 19 19 HIS CA C 19 60.525 59.543 0.982 1
1 196 . 19 1 1 A 19 19 HIS CB C 19 31.354 29.915 1.439 1
1 198 . 19 1 1 A 19 19 HIS N N 19 119.634 119.030 0.604 1
1 201 . 19 1 1 A 20 20 ALA H H 20 8.568 8.418 0.150 1
1 202 . 19 1 1 A 20 20 ALA HA H 20 4.143 3.891 0.252 1
1 206 . 19 1 1 A 20 20 ALA C C 20 172.155 179.296 -7.141 1
1 207 . 19 1 1 A 20 20 ALA CA C 20 55.716 55.374 0.342 1
1 208 . 19 1 1 A 20 20 ALA CB C 20 17.682 18.473 -0.791 1
1 209 . 19 1 1 A 20 20 ALA N N 20 122.453 122.191 0.262 1
1 210 . 19 1 1 A 21 21 LYS H H 21 8.055 7.890 0.165 1
1 211 . 19 1 1 A 21 21 LYS HA H 21 4.128 3.776 0.352 1
1 220 . 19 1 1 A 21 21 LYS C C 21 170.753 178.653 -7.900 1
1 221 . 19 1 1 A 21 21 LYS CA C 21 59.469 59.062 0.407 1
1 222 . 19 1 1 A 21 21 LYS CB C 21 32.369 31.820 0.549 1
1 226 . 19 1 1 A 21 21 LYS N N 21 118.604 116.248 2.356 1
1 227 . 19 1 1 A 22 22 LYS H H 22 8.092 7.485 0.607 1
1 228 . 19 1 1 A 22 22 LYS HA H 22 4.100 4.049 0.051 1
1 237 . 19 1 1 A 22 22 LYS C C 22 174.300 178.066 -3.766 1
1 238 . 19 1 1 A 22 22 LYS CA C 22 58.920 59.390 -0.470 1
1 239 . 19 1 1 A 22 22 LYS CB C 22 32.406 32.353 0.053 1
1 243 . 19 1 1 A 22 22 LYS N N 22 119.468 119.621 -0.153 1
1 244 . 19 1 1 A 23 23 ASN H H 23 7.461 8.022 -0.561 1
1 245 . 19 1 1 A 23 23 ASN HA H 23 4.710 4.788 -0.078 1
1 248 . 19 1 1 A 23 23 ASN C C 23 178.526 174.706 3.820 1
1 249 . 19 1 1 A 23 23 ASN CA C 23 53.514 53.786 -0.272 1
1 250 . 19 1 1 A 23 23 ASN CB C 23 40.124 38.893 1.231 1
1 251 . 19 1 1 A 23 23 ASN N N 23 115.166 117.073 -1.907 1
1 252 . 19 1 1 A 24 24 GLN H H 24 7.879 7.859 0.020 1
1 253 . 19 1 1 A 24 24 GLN HA H 24 3.927 3.750 0.177 1
1 260 . 19 1 1 A 24 24 GLN C C 24 177.284 175.672 1.612 1
1 261 . 19 1 1 A 24 24 GLN CA C 24 57.083 56.809 0.274 1
1 262 . 19 1 1 A 24 24 GLN CB C 24 26.400 26.029 0.371 1
1 264 . 19 1 1 A 24 24 GLN N N 24 116.046 116.488 -0.442 1
1 266 . 19 1 1 A 25 25 ALA H H 25 8.491 8.260 0.231 1
1 267 . 19 1 1 A 25 25 ALA HA H 25 4.600 4.188 0.412 1
1 271 . 19 1 1 A 25 25 ALA C C 25 174.729 178.162 -3.433 1
1 272 . 19 1 1 A 25 25 ALA CA C 25 51.416 54.383 -2.967 1
1 273 . 19 1 1 A 25 25 ALA CB C 25 21.350 19.394 1.956 1
1 274 . 19 1 1 A 25 25 ALA N N 25 120.372 121.026 -0.654 1
1 275 . 19 1 1 A 26 26 HIS H H 26 8.476 7.414 1.062 1
1 276 . 19 1 1 A 26 26 HIS HA H 26 4.736 4.181 0.555 1
1 280 . 19 1 1 A 26 26 HIS C C 26 176.751 173.597 3.154 1
1 281 . 19 1 1 A 26 26 HIS CA C 26 56.211 57.332 -1.121 1
1 282 . 19 1 1 A 26 26 HIS CB C 26 31.838 27.207 4.631 1
1 284 . 19 1 1 A 26 26 HIS N N 26 117.648 112.270 5.378 1
1 285 . 19 1 1 A 27 27 LYS H H 27 7.540 7.355 0.185 1
1 286 . 19 1 1 A 27 27 LYS HA H 27 4.766 4.541 0.225 1
1 295 . 19 1 1 A 27 27 LYS C C 27 176.918 173.904 3.014 1
1 296 . 19 1 1 A 27 27 LYS CA C 27 55.877 55.040 0.837 1
1 297 . 19 1 1 A 27 27 LYS CB C 27 36.796 34.628 2.168 1
1 301 . 19 1 1 A 27 27 LYS N N 27 116.451 113.500 2.951 1
1 302 . 19 1 1 A 28 28 ILE H H 28 8.320 8.757 -0.437 1
1 303 . 19 1 1 A 28 28 ILE HA H 28 4.319 5.023 -0.704 1
1 310 . 19 1 1 A 28 28 ILE C C 28 176.921 175.839 1.082 1
1 311 . 19 1 1 A 28 28 ILE CA C 28 60.552 59.755 0.797 1
1 312 . 19 1 1 A 28 28 ILE CB C 28 38.843 41.442 -2.599 1
1 313 . 19 1 1 A 28 28 ILE N N 28 123.140 121.533 1.607 1
1 314 . 19 1 1 A 29 29 GLU H H 29 9.001 9.446 -0.445 1
1 315 . 19 1 1 A 29 29 GLU HA H 29 4.446 4.494 -0.048 1
1 320 . 19 1 1 A 29 29 GLU C C 29 174.406 175.746 -1.340 1
1 321 . 19 1 1 A 29 29 GLU CA C 29 57.363 57.876 -0.513 1
1 322 . 19 1 1 A 29 29 GLU CB C 29 31.761 31.447 0.314 1
1 324 . 19 1 1 A 29 29 GLU N N 29 125.872 125.180 0.692 1
1 325 . 19 1 1 A 30 30 ARG H H 30 7.654 7.700 -0.046 1
1 326 . 19 1 1 A 30 30 ARG HA H 30 5.282 4.885 0.397 1
1 334 . 19 1 1 A 30 30 ARG C C 30 178.750 174.400 4.350 1
1 335 . 19 1 1 A 30 30 ARG CA C 30 55.558 55.507 0.051 1
1 336 . 19 1 1 A 30 30 ARG CB C 30 34.774 33.222 1.552 1
1 338 . 19 1 1 A 30 30 ARG N N 30 119.436 118.924 0.512 1
1 340 . 19 1 1 A 31 31 VAL H H 31 9.234 8.830 0.404 1
1 341 . 19 1 1 A 31 31 VAL HA H 31 4.397 4.340 0.057 1
1 349 . 19 1 1 A 31 31 VAL C C 31 178.662 175.686 2.976 1
1 350 . 19 1 1 A 31 31 VAL CA C 31 60.882 61.855 -0.973 1
1 351 . 19 1 1 A 31 31 VAL CB C 31 34.494 32.764 1.730 1
1 354 . 19 1 1 A 31 31 VAL N N 31 127.428 124.504 2.924 1
1 355 . 19 1 1 A 32 32 VAL H H 32 8.626 8.632 -0.006 1
1 356 . 19 1 1 A 32 32 VAL HA H 32 5.039 5.028 0.011 1
1 364 . 19 1 1 A 32 32 VAL C C 32 175.519 174.797 0.722 1
1 365 . 19 1 1 A 32 32 VAL CA C 32 60.917 60.605 0.312 1
1 366 . 19 1 1 A 32 32 VAL CB C 32 31.892 34.121 -2.229 1
1 368 . 19 1 1 A 32 32 VAL N N 32 126.581 123.681 2.900 1
1 369 . 19 1 1 A 33 33 VAL H H 33 8.802 9.243 -0.441 1
1 370 . 19 1 1 A 33 33 VAL HA H 33 4.917 4.655 0.262 1
1 378 . 19 1 1 A 33 33 VAL C C 33 178.038 174.727 3.311 1
1 379 . 19 1 1 A 33 33 VAL CA C 33 58.975 60.675 -1.700 1
1 380 . 19 1 1 A 33 33 VAL CB C 33 35.109 36.137 -1.028 1
1 383 . 19 1 1 A 33 33 VAL N N 33 122.994 127.012 -4.018 1
1 384 . 19 1 1 A 34 34 GLY H H 34 9.535 9.307 0.228 1
1 385 . 19 1 1 A 34 34 GLY HA2 H 34 5.187 4.217 0.970 1
1 386 . 19 1 1 A 34 34 GLY HA3 H 34 3.404 4.225 -0.821 1
1 387 . 19 1 1 A 34 34 GLY C C 34 178.060 171.849 6.211 1
1 388 . 19 1 1 A 34 34 GLY CA C 34 44.108 44.478 -0.370 1
1 389 . 19 1 1 A 34 34 GLY N N 34 112.269 114.516 -2.247 1
1 390 . 19 1 1 A 35 35 ILE H H 35 8.761 9.575 -0.814 1
1 391 . 19 1 1 A 35 35 ILE HA H 35 4.340 4.671 -0.331 1
1 401 . 19 1 1 A 35 35 ILE C C 35 174.823 176.171 -1.348 1
1 402 . 19 1 1 A 35 35 ILE CA C 35 60.287 59.429 0.858 1
1 403 . 19 1 1 A 35 35 ILE CB C 35 39.357 40.391 -1.034 1
1 407 . 19 1 1 A 35 35 ILE N N 35 123.848 125.516 -1.668 1
1 408 . 19 1 1 A 36 36 GLY H H 36 8.439 8.607 -0.168 1
1 409 . 19 1 1 A 36 36 GLY HA2 H 36 3.321 4.108 -0.787 1
1 410 . 19 1 1 A 36 36 GLY HA3 H 36 4.444 4.114 0.330 1
1 411 . 19 1 1 A 36 36 GLY C C 36 175.743 174.942 0.801 1
1 412 . 19 1 1 A 36 36 GLY CA C 36 46.389 45.842 0.547 1
1 413 . 19 1 1 A 36 36 GLY N N 36 117.219 114.336 2.883 1
1 414 . 19 1 1 A 37 37 GLU H H 37 8.756 9.020 -0.264 1
1 415 . 19 1 1 A 37 37 GLU HA H 37 4.277 4.120 0.157 1
1 420 . 19 1 1 A 37 37 GLU C C 37 174.413 176.497 -2.084 1
1 421 . 19 1 1 A 37 37 GLU CA C 37 58.568 58.066 0.502 1
1 422 . 19 1 1 A 37 37 GLU CB C 37 29.809 28.797 1.012 1
1 424 . 19 1 1 A 37 37 GLU N N 37 124.260 120.614 3.646 1
1 425 . 19 1 1 A 38 38 ARG H H 38 8.483 7.843 0.640 1
1 426 . 19 1 1 A 38 38 ARG HA H 38 4.594 4.574 0.020 1
1 434 . 19 1 1 A 38 38 ARG C C 38 175.250 176.843 -1.593 1
1 435 . 19 1 1 A 38 38 ARG CA C 38 54.916 55.317 -0.401 1
1 436 . 19 1 1 A 38 38 ARG CB C 38 29.706 30.965 -1.259 1
1 439 . 19 1 1 A 38 38 ARG N N 38 117.248 120.242 -2.994 1
1 441 . 19 1 1 A 39 39 SER H H 39 7.630 7.858 -0.228 1
1 442 . 19 1 1 A 39 39 SER HA H 39 4.139 4.302 -0.163 1
1 445 . 19 1 1 A 39 39 SER C C 39 176.694 174.019 2.675 1
1 446 . 19 1 1 A 39 39 SER CA C 39 59.524 60.035 -0.511 1
1 447 . 19 1 1 A 39 39 SER CB C 39 64.248 63.567 0.681 1
1 448 . 19 1 1 A 39 39 SER N N 39 115.086 115.661 -0.575 1
1 449 . 19 1 1 A 40 40 ALA H H 40 8.667 7.928 0.739 1
1 450 . 19 1 1 A 40 40 ALA HA H 40 4.267 4.005 0.262 1
1 454 . 19 1 1 A 40 40 ALA C C 40 174.406 176.191 -1.785 1
1 455 . 19 1 1 A 40 40 ALA CA C 40 52.641 53.915 -1.274 1
1 456 . 19 1 1 A 40 40 ALA CB C 40 17.976 18.215 -0.239 1
1 457 . 19 1 1 A 40 40 ALA N N 40 126.133 122.026 4.107 1
1 458 . 19 1 1 A 41 41 MET H H 41 7.793 7.942 -0.149 1
1 459 . 19 1 1 A 41 41 MET HA H 41 4.389 4.547 -0.158 1
1 467 . 19 1 1 A 41 41 MET C C 41 176.689 175.400 1.289 1
1 468 . 19 1 1 A 41 41 MET CA C 41 55.965 54.919 1.046 1
1 469 . 19 1 1 A 41 41 MET CB C 41 34.761 33.879 0.882 1
1 472 . 19 1 1 A 41 41 MET N N 41 117.758 116.583 1.175 1
1 473 . 19 1 1 A 42 42 ASP H H 42 9.667 8.948 0.719 1
1 474 . 19 1 1 A 42 42 ASP HA H 42 4.706 4.701 0.005 1
1 477 . 19 1 1 A 42 42 ASP C C 42 174.559 177.296 -2.737 1
1 478 . 19 1 1 A 42 42 ASP CA C 42 53.363 53.900 -0.537 1
1 479 . 19 1 1 A 42 42 ASP CB C 42 41.740 40.507 1.233 1
1 480 . 19 1 1 A 42 42 ASP N N 42 125.565 122.664 2.901 1
1 481 . 19 1 1 A 43 43 LYS H H 43 8.928 8.569 0.359 1
1 482 . 19 1 1 A 43 43 LYS HA H 43 3.752 4.183 -0.431 1
1 491 . 19 1 1 A 43 43 LYS C C 43 173.737 178.533 -4.796 1
1 492 . 19 1 1 A 43 43 LYS CA C 43 60.966 59.324 1.642 1
1 493 . 19 1 1 A 43 43 LYS CB C 43 32.585 32.011 0.574 1
1 497 . 19 1 1 A 43 43 LYS N N 43 127.256 125.241 2.015 1
1 498 . 19 1 1 A 44 44 SER H H 44 8.327 7.788 0.539 1
1 499 . 19 1 1 A 44 44 SER HA H 44 4.009 4.278 -0.269 1
1 502 . 19 1 1 A 44 44 SER C C 44 174.032 177.568 -3.536 1
1 503 . 19 1 1 A 44 44 SER CA C 44 62.461 61.484 0.977 1
1 504 . 19 1 1 A 44 44 SER CB C 44 62.281 63.101 -0.820 1
1 505 . 19 1 1 A 44 44 SER N N 44 114.797 115.169 -0.372 1
1 506 . 19 1 1 A 45 45 LEU H H 45 7.878 8.091 -0.213 1
1 507 . 19 1 1 A 45 45 LEU HA H 45 4.254 4.141 0.113 1
1 517 . 19 1 1 A 45 45 LEU C C 45 172.915 178.826 -5.911 1
1 518 . 19 1 1 A 45 45 LEU CA C 45 57.128 58.175 -1.047 1
1 519 . 19 1 1 A 45 45 LEU CB C 45 41.738 41.879 -0.141 1
1 523 . 19 1 1 A 45 45 LEU N N 45 124.570 122.127 2.443 1
1 524 . 19 1 1 A 46 46 PHE H H 46 8.343 8.559 -0.216 1
1 525 . 19 1 1 A 46 46 PHE HA H 46 3.882 4.204 -0.322 1
1 532 . 19 1 1 A 46 46 PHE C C 46 175.104 176.899 -1.795 1
1 533 . 19 1 1 A 46 46 PHE CA C 46 61.820 61.485 0.335 1
1 534 . 19 1 1 A 46 46 PHE CB C 46 40.047 39.304 0.743 1
1 537 . 19 1 1 A 46 46 PHE N N 46 121.059 119.333 1.726 1
1 538 . 19 1 1 A 47 47 VAL H H 47 8.370 8.109 0.261 1
1 539 . 19 1 1 A 47 47 VAL HA H 47 3.466 3.345 0.121 1
1 547 . 19 1 1 A 47 47 VAL C C 47 173.353 177.779 -4.426 1
1 548 . 19 1 1 A 47 47 VAL CA C 47 67.220 64.472 2.748 1
1 549 . 19 1 1 A 47 47 VAL CB C 47 31.927 31.221 0.706 1
1 552 . 19 1 1 A 47 47 VAL N N 47 118.023 119.166 -1.143 1
1 553 . 19 1 1 A 48 48 SER H H 48 7.967 8.364 -0.397 1
1 554 . 19 1 1 A 48 48 SER HA H 48 4.268 4.242 0.026 1
1 557 . 19 1 1 A 48 48 SER C C 48 174.187 177.353 -3.166 1
1 558 . 19 1 1 A 48 48 SER CA C 48 61.789 61.289 0.500 1
1 559 . 19 1 1 A 48 48 SER CB C 48 62.761 62.587 0.174 1
1 560 . 19 1 1 A 48 48 SER N N 48 114.372 116.812 -2.440 1
1 561 . 19 1 1 A 49 49 ALA H H 49 8.489 8.073 0.416 1
1 562 . 19 1 1 A 49 49 ALA HA H 49 3.931 4.231 -0.300 1
1 566 . 19 1 1 A 49 49 ALA C C 49 172.626 179.577 -6.951 1
1 567 . 19 1 1 A 49 49 ALA CA C 49 55.067 55.104 -0.037 1
1 568 . 19 1 1 A 49 49 ALA CB C 49 17.587 18.670 -1.083 1
1 569 . 19 1 1 A 49 49 ALA N N 49 124.199 123.816 0.383 1
1 570 . 19 1 1 A 50 50 PHE H H 50 8.510 8.495 0.015 1
1 571 . 19 1 1 A 50 50 PHE HA H 50 3.763 4.088 -0.325 1
1 578 . 19 1 1 A 50 50 PHE C C 50 174.923 177.687 -2.764 1
1 579 . 19 1 1 A 50 50 PHE CA C 50 63.098 61.482 1.616 1
1 580 . 19 1 1 A 50 50 PHE CB C 50 39.465 39.019 0.446 1
1 583 . 19 1 1 A 50 50 PHE N N 50 120.967 119.725 1.242 1
1 584 . 19 1 1 A 51 51 GLU H H 51 8.561 8.731 -0.170 1
1 585 . 19 1 1 A 51 51 GLU HA H 51 3.717 3.886 -0.169 1
1 590 . 19 1 1 A 51 51 GLU C C 51 173.002 179.345 -6.343 1
1 591 . 19 1 1 A 51 51 GLU CA C 51 59.750 59.301 0.449 1
1 592 . 19 1 1 A 51 51 GLU CB C 51 29.330 29.440 -0.110 1
1 594 . 19 1 1 A 51 51 GLU N N 51 116.915 118.005 -1.090 1
1 595 . 19 1 1 A 52 52 THR H H 52 7.759 8.150 -0.391 1
1 596 . 19 1 1 A 52 52 THR HA H 52 4.090 3.794 0.296 1
1 601 . 19 1 1 A 52 52 THR C C 52 174.897 175.994 -1.097 1
1 602 . 19 1 1 A 52 52 THR CA C 52 65.899 66.519 -0.620 1
1 603 . 19 1 1 A 52 52 THR CB C 52 69.172 68.540 0.632 1
1 605 . 19 1 1 A 52 52 THR N N 52 114.348 117.137 -2.789 1
1 606 . 19 1 1 A 53 53 PHE H H 53 8.725 7.889 0.836 1
1 607 . 19 1 1 A 53 53 PHE HA H 53 4.335 4.426 -0.091 1
1 614 . 19 1 1 A 53 53 PHE C C 53 172.389 177.515 -5.126 1
1 615 . 19 1 1 A 53 53 PHE CA C 53 60.011 59.939 0.072 1
1 616 . 19 1 1 A 53 53 PHE CB C 53 38.244 37.803 0.441 1
1 619 . 19 1 1 A 53 53 PHE N N 53 120.493 117.857 2.636 1
1 620 . 19 1 1 A 54 54 ARG H H 54 8.579 8.083 0.496 1
1 621 . 19 1 1 A 54 54 ARG HA H 54 3.626 3.858 -0.232 1
1 625 . 19 1 1 A 54 54 ARG C C 54 175.195 177.700 -2.505 1
1 626 . 19 1 1 A 54 54 ARG CA C 54 59.252 58.626 0.626 1
1 627 . 19 1 1 A 54 54 ARG CB C 54 26.544 29.710 -3.166 1
1 629 . 19 1 1 A 54 54 ARG N N 54 119.132 118.951 0.181 1
1 631 . 19 1 1 A 55 55 GLU H H 55 6.758 8.538 -1.780 1
1 632 . 19 1 1 A 55 55 GLU HA H 55 3.983 4.042 -0.059 1
1 637 . 19 1 1 A 55 55 GLU C C 55 174.356 179.085 -4.729 1
1 638 . 19 1 1 A 55 55 GLU CA C 55 58.002 59.151 -1.149 1
1 639 . 19 1 1 A 55 55 GLU CB C 55 29.865 29.283 0.582 1
1 641 . 19 1 1 A 55 55 GLU N N 55 115.466 118.364 -2.898 1
1 642 . 19 1 1 A 56 56 GLU H H 56 7.245 7.732 -0.487 1
1 643 . 19 1 1 A 56 56 GLU HA H 56 4.294 4.110 0.184 1
1 648 . 19 1 1 A 56 56 GLU C C 56 175.946 175.915 0.031 1
1 649 . 19 1 1 A 56 56 GLU CA C 56 55.827 58.978 -3.151 1
1 650 . 19 1 1 A 56 56 GLU CB C 56 30.030 29.934 0.096 1
1 652 . 19 1 1 A 56 56 GLU N N 56 114.653 119.840 -5.187 1
1 653 . 19 1 1 A 57 57 SER H H 57 7.405 7.796 -0.391 1
1 654 . 19 1 1 A 57 57 SER HA H 57 4.707 4.874 -0.167 1
1 657 . 19 1 1 A 57 57 SER C C 57 176.895 174.222 2.673 1
1 658 . 19 1 1 A 57 57 SER CA C 57 55.456 57.509 -2.053 1
1 659 . 19 1 1 A 57 57 SER CB C 57 64.059 65.506 -1.447 1
1 660 . 19 1 1 A 57 57 SER N N 57 114.312 112.012 2.300 1
1 661 . 19 1 1 A 58 58 LEU H H 58 8.819 8.884 -0.065 1
1 662 . 19 1 1 A 58 58 LEU HA H 58 4.120 4.046 0.074 1
1 672 . 19 1 1 A 58 58 LEU C C 58 172.006 178.299 -6.293 1
1 673 . 19 1 1 A 58 58 LEU CA C 58 58.438 58.150 0.288 1
1 674 . 19 1 1 A 58 58 LEU CB C 58 41.839 41.414 0.425 1
1 678 . 19 1 1 A 58 58 LEU N N 58 129.477 128.997 0.480 1
1 679 . 19 1 1 A 59 59 VAL H H 59 7.929 7.917 0.012 1
1 680 . 19 1 1 A 59 59 VAL HA H 59 4.305 4.013 0.292 1
1 688 . 19 1 1 A 59 59 VAL C C 59 173.624 177.776 -4.152 1
1 689 . 19 1 1 A 59 59 VAL CA C 59 64.028 64.618 -0.590 1
1 690 . 19 1 1 A 59 59 VAL CB C 59 33.135 31.298 1.837 1
1 693 . 19 1 1 A 59 59 VAL N N 59 112.367 114.022 -1.655 1
1 694 . 19 1 1 A 60 60 CYS H H 60 7.786 7.946 -0.160 1
1 695 . 19 1 1 A 60 60 CYS HA H 60 4.589 4.351 0.238 1
1 698 . 19 1 1 A 60 60 CYS C C 60 176.508 176.803 -0.295 1
1 699 . 19 1 1 A 60 60 CYS CA C 60 59.907 61.671 -1.764 1
1 700 . 19 1 1 A 60 60 CYS CB C 60 28.211 27.376 0.835 1
1 701 . 19 1 1 A 60 60 CYS N N 60 115.412 120.767 -5.355 1
1 702 . 19 1 1 A 61 61 LYS H H 61 7.415 7.443 -0.028 1
1 703 . 19 1 1 A 61 61 LYS HA H 61 3.820 4.170 -0.350 1
1 712 . 19 1 1 A 61 61 LYS C C 61 175.812 176.083 -0.271 1
1 713 . 19 1 1 A 61 61 LYS CA C 61 60.389 58.067 2.322 1
1 714 . 19 1 1 A 61 61 LYS CB C 61 32.606 31.971 0.635 1
1 718 . 19 1 1 A 61 61 LYS N N 61 120.942 119.789 1.153 1
1 719 . 19 1 1 A 62 62 ASP C C 62 175.254 174.111 1.143 1
1 720 . 19 1 1 A 62 62 ASP CA C 62 55.159 52.794 2.365 1
1 721 . 19 1 1 A 62 62 ASP CB C 62 42.358 41.101 1.257 1
1 722 . 19 1 1 A 64 64 ILE H H 64 7.784 8.725 -0.941 1
1 723 . 19 1 1 A 64 64 ILE HA H 64 4.126 4.950 -0.824 1
1 733 . 19 1 1 A 64 64 ILE C C 64 177.456 174.582 2.874 1
1 734 . 19 1 1 A 64 64 ILE CA C 64 60.516 59.754 0.762 1
1 735 . 19 1 1 A 64 64 ILE CB C 64 39.990 42.388 -2.398 1
1 739 . 19 1 1 A 64 64 ILE N N 64 122.653 118.766 3.887 1
1 740 . 19 1 1 A 65 65 LEU H H 65 8.357 8.961 -0.604 1
1 741 . 19 1 1 A 65 65 LEU HA H 65 4.858 4.944 -0.086 1
1 751 . 19 1 1 A 65 65 LEU C C 65 176.625 174.335 2.290 1
1 752 . 19 1 1 A 65 65 LEU CA C 65 53.315 53.324 -0.009 1
1 753 . 19 1 1 A 65 65 LEU CB C 65 43.307 44.438 -1.131 1
1 757 . 19 1 1 A 65 65 LEU N N 65 128.311 127.783 0.528 1
1 758 . 19 1 1 A 66 66 ASP H H 66 9.088 9.152 -0.064 1
1 759 . 19 1 1 A 66 66 ASP HA H 66 5.009 4.886 0.123 1
1 762 . 19 1 1 A 66 66 ASP C C 66 177.504 174.643 2.861 1
1 763 . 19 1 1 A 66 66 ASP CA C 66 53.137 53.106 0.031 1
1 764 . 19 1 1 A 66 66 ASP CB C 66 44.234 41.786 2.448 1
1 765 . 19 1 1 A 66 66 ASP N N 66 129.457 127.898 1.559 1
1 766 . 19 1 1 A 67 67 ILE H H 67 8.240 8.633 -0.393 1
1 767 . 19 1 1 A 67 67 ILE HA H 67 4.759 4.594 0.165 1
1 777 . 19 1 1 A 67 67 ILE C C 67 175.569 175.572 -0.003 1
1 778 . 19 1 1 A 67 67 ILE CA C 67 59.640 60.879 -1.239 1
1 779 . 19 1 1 A 67 67 ILE CB C 67 39.948 37.864 2.084 1
1 783 . 19 1 1 A 67 67 ILE N N 67 120.821 126.999 -6.178 1
1 784 . 19 1 1 A 68 68 VAL H H 68 9.310 9.389 -0.079 1
1 785 . 19 1 1 A 68 68 VAL HA H 68 4.149 4.437 -0.288 1
1 793 . 19 1 1 A 68 68 VAL C C 68 176.697 175.376 1.321 1
1 794 . 19 1 1 A 68 68 VAL CA C 68 60.707 61.981 -1.274 1
1 795 . 19 1 1 A 68 68 VAL CB C 68 34.121 33.185 0.936 1
1 798 . 19 1 1 A 68 68 VAL N N 68 130.182 128.376 1.806 1
1 799 . 19 1 1 A 69 69 ASP H H 69 8.577 8.859 -0.282 1
1 800 . 19 1 1 A 69 69 ASP HA H 69 4.847 4.855 -0.008 1
1 803 . 19 1 1 A 69 69 ASP C C 69 175.713 175.330 0.383 1
1 804 . 19 1 1 A 69 69 ASP CA C 69 54.357 54.148 0.209 1
1 805 . 19 1 1 A 69 69 ASP CB C 69 41.353 40.674 0.679 1
1 806 . 19 1 1 A 69 69 ASP N N 69 127.151 128.621 -1.470 1
1 807 . 19 1 1 A 70 70 GLU H H 70 7.857 8.798 -0.941 1
1 808 . 19 1 1 A 70 70 GLU HA H 70 4.563 4.391 0.172 1
1 813 . 19 1 1 A 70 70 GLU C C 70 176.179 177.093 -0.914 1
1 814 . 19 1 1 A 70 70 GLU CA C 70 56.333 56.472 -0.139 1
1 815 . 19 1 1 A 70 70 GLU CB C 70 31.503 30.537 0.966 1
1 817 . 19 1 1 A 70 70 GLU N N 70 123.503 124.020 -0.517 1
1 818 . 19 1 1 A 71 71 LYS H H 71 8.517 8.509 0.008 1
1 819 . 19 1 1 A 71 71 LYS HA H 71 4.261 4.372 -0.111 1
1 828 . 19 1 1 A 71 71 LYS C C 71 175.084 175.569 -0.485 1
1 829 . 19 1 1 A 71 71 LYS CA C 71 55.210 56.803 -1.593 1
1 830 . 19 1 1 A 71 71 LYS CB C 71 33.019 33.354 -0.335 1
1 834 . 19 1 1 A 71 71 LYS N N 71 124.197 123.175 1.022 1
1 835 . 19 1 1 A 72 72 VAL H H 72 8.612 8.328 0.284 1
1 836 . 19 1 1 A 72 72 VAL HA H 72 4.277 5.157 -0.880 1
1 844 . 19 1 1 A 72 72 VAL C C 72 176.529 174.789 1.740 1
1 845 . 19 1 1 A 72 72 VAL CA C 72 63.133 60.480 2.653 1
1 846 . 19 1 1 A 72 72 VAL CB C 72 32.188 35.014 -2.826 1
1 849 . 19 1 1 A 72 72 VAL N N 72 119.616 120.616 -1.000 1
1 850 . 19 1 1 A 73 73 GLU H H 73 7.750 8.467 -0.717 1
1 851 . 19 1 1 A 73 73 GLU HA H 73 4.469 4.793 -0.324 1
1 856 . 19 1 1 A 73 73 GLU C C 73 178.456 174.333 4.123 1
1 857 . 19 1 1 A 73 73 GLU CA C 73 55.241 54.927 0.314 1
1 858 . 19 1 1 A 73 73 GLU CB C 73 34.536 33.940 0.596 1
1 860 . 19 1 1 A 73 73 GLU N N 73 126.126 126.733 -0.607 1
1 861 . 19 1 1 A 74 74 LEU H H 74 8.495 9.353 -0.858 1
1 862 . 19 1 1 A 74 74 LEU HA H 74 5.207 4.828 0.379 1
1 869 . 19 1 1 A 74 74 LEU C C 74 176.827 176.103 0.724 1
1 870 . 19 1 1 A 74 74 LEU CA C 74 52.600 53.396 -0.796 1
1 871 . 19 1 1 A 74 74 LEU CB C 74 45.404 42.907 2.497 1
1 874 . 19 1 1 A 74 74 LEU N N 74 123.821 126.717 -2.896 1
1 875 . 19 1 1 A 75 75 GLU H H 75 8.770 8.514 0.256 1
1 876 . 19 1 1 A 75 75 GLU HA H 75 5.127 4.283 0.844 1
1 881 . 19 1 1 A 75 75 GLU C C 75 176.617 175.702 0.915 1
1 882 . 19 1 1 A 75 75 GLU CA C 75 53.748 55.924 -2.176 1
1 883 . 19 1 1 A 75 75 GLU CB C 75 33.910 30.499 3.411 1
1 885 . 19 1 1 A 75 75 GLU N N 75 118.723 124.462 -5.739 1
1 886 . 19 1 1 A 76 76 CYS H H 76 9.354 8.449 0.905 1
1 887 . 19 1 1 A 76 76 CYS HA H 76 4.665 4.513 0.152 1
1 890 . 19 1 1 A 76 76 CYS C C 76 173.085 175.546 -2.461 1
1 891 . 19 1 1 A 76 76 CYS CA C 76 59.386 58.728 0.658 1
1 892 . 19 1 1 A 76 76 CYS CB C 76 32.476 28.551 3.925 1
1 893 . 19 1 1 A 76 76 CYS N N 76 128.378 121.648 6.730 1
1 894 . 19 1 1 A 77 77 LYS H H 77 9.328 8.723 0.605 1
1 895 . 19 1 1 A 77 77 LYS HA H 77 4.279 4.007 0.272 1
1 904 . 19 1 1 A 77 77 LYS C C 77 174.709 177.068 -2.359 1
1 905 . 19 1 1 A 77 77 LYS CA C 77 56.997 59.193 -2.196 1
1 906 . 19 1 1 A 77 77 LYS CB C 77 31.240 32.687 -1.447 1
1 910 . 19 1 1 A 77 77 LYS N N 77 129.264 126.115 3.149 1
1 911 . 19 1 1 A 78 78 ASP H H 78 9.182 8.129 1.053 1
1 912 . 19 1 1 A 78 78 ASP HA H 78 4.945 4.859 0.086 1
1 915 . 19 1 1 A 78 78 ASP C C 78 173.961 174.554 -0.593 1
1 916 . 19 1 1 A 78 78 ASP CA C 78 56.797 52.817 3.980 1
1 917 . 19 1 1 A 78 78 ASP CB C 78 42.214 41.288 0.926 1
1 918 . 19 1 1 A 78 78 ASP N N 78 122.206 117.085 5.121 1
1 919 . 19 1 1 A 79 79 CYS H H 79 9.871 7.844 2.027 1
1 920 . 19 1 1 A 79 79 CYS HA H 79 5.165 4.892 0.273 1
1 923 . 19 1 1 A 79 79 CYS C C 79 174.253 172.649 1.604 1
1 924 . 19 1 1 A 79 79 CYS CA C 79 59.123 57.655 1.468 1
1 925 . 19 1 1 A 79 79 CYS CB C 79 32.286 30.745 1.541 1
1 926 . 19 1 1 A 79 79 CYS N N 79 124.020 121.858 2.162 1
1 927 . 19 1 1 A 80 80 SER H H 80 7.667 8.647 -0.980 1
1 928 . 19 1 1 A 80 80 SER HA H 80 4.564 4.886 -0.322 1
1 931 . 19 1 1 A 80 80 SER C C 80 178.621 173.629 4.992 1
1 932 . 19 1 1 A 80 80 SER CA C 80 62.038 57.177 4.861 1
1 933 . 19 1 1 A 80 80 SER CB C 80 62.215 64.440 -2.225 1
1 934 . 19 1 1 A 80 80 SER N N 80 115.904 115.380 0.524 1
1 935 . 19 1 1 A 81 81 HIS H H 81 8.916 7.568 1.348 1
1 936 . 19 1 1 A 81 81 HIS HA H 81 4.649 5.038 -0.389 1
1 941 . 19 1 1 A 81 81 HIS C C 81 178.299 173.156 5.143 1
1 942 . 19 1 1 A 81 81 HIS CA C 81 58.348 54.792 3.556 1
1 943 . 19 1 1 A 81 81 HIS CB C 81 33.016 33.498 -0.482 1
1 946 . 19 1 1 A 81 81 HIS N N 81 125.397 121.043 4.354 1
1 949 . 19 1 1 A 82 82 VAL H H 82 7.058 8.199 -1.141 1
1 950 . 19 1 1 A 82 82 VAL HA H 82 5.212 4.781 0.431 1
1 958 . 19 1 1 A 82 82 VAL C C 82 176.161 173.816 2.345 1
1 959 . 19 1 1 A 82 82 VAL CA C 82 60.567 59.302 1.265 1
1 960 . 19 1 1 A 82 82 VAL CB C 82 34.355 35.759 -1.404 1
1 963 . 19 1 1 A 82 82 VAL N N 82 125.314 119.824 5.490 1
1 964 . 19 1 1 A 83 83 PHE H H 83 8.883 8.695 0.188 1
1 965 . 19 1 1 A 83 83 PHE HA H 83 4.842 5.271 -0.429 1
1 972 . 19 1 1 A 83 83 PHE C C 83 179.687 172.386 7.301 1
1 973 . 19 1 1 A 83 83 PHE CA C 83 55.495 55.259 0.236 1
1 974 . 19 1 1 A 83 83 PHE CB C 83 40.651 41.604 -0.953 1
1 978 . 19 1 1 A 83 83 PHE N N 83 122.377 118.857 3.520 1
1 979 . 19 1 1 A 84 84 LYS H H 84 8.658 8.672 -0.014 1
1 980 . 19 1 1 A 84 84 LYS HA H 84 5.001 4.896 0.105 1
1 989 . 19 1 1 A 84 84 LYS C C 84 176.705 174.662 2.043 1
1 990 . 19 1 1 A 84 84 LYS CA C 84 52.738 53.470 -0.732 1
1 991 . 19 1 1 A 84 84 LYS CB C 84 32.660 32.605 0.055 1
1 995 . 19 1 1 A 84 84 LYS N N 84 121.116 120.287 0.829 1
1 996 . 19 1 1 A 85 85 PRO HA H 85 4.663 4.534 0.129 1
1 1003 . 19 1 1 A 85 85 PRO C C 85 174.722 177.091 -2.369 1
1 1004 . 19 1 1 A 85 85 PRO CA C 85 62.633 63.249 -0.616 1
1 1005 . 19 1 1 A 85 85 PRO CB C 85 32.712 32.518 0.194 1
1 1008 . 19 1 1 A 86 86 ASN H H 86 8.983 8.924 0.059 1
1 1009 . 19 1 1 A 86 86 ASN HA H 86 4.704 4.571 0.133 1
1 1014 . 19 1 1 A 86 86 ASN C C 86 176.576 174.734 1.842 1
1 1015 . 19 1 1 A 86 86 ASN CA C 86 53.552 54.695 -1.143 1
1 1016 . 19 1 1 A 86 86 ASN CB C 86 39.208 38.077 1.131 1
1 1017 . 19 1 1 A 86 86 ASN N N 86 119.549 118.583 0.966 1
1 1019 . 19 1 1 A 87 87 ALA H H 87 8.122 7.677 0.445 1
1 1020 . 19 1 1 A 87 87 ALA HA H 87 4.369 3.879 0.490 1
1 1024 . 19 1 1 A 87 87 ALA C C 87 174.154 177.501 -3.347 1
1 1025 . 19 1 1 A 87 87 ALA CA C 87 52.560 52.639 -0.079 1
1 1026 . 19 1 1 A 87 87 ALA CB C 87 19.660 18.735 0.925 1
1 1027 . 19 1 1 A 87 87 ALA N N 87 122.483 122.290 0.193 1
1 1028 . 19 1 1 A 88 88 LEU H H 88 8.195 8.146 0.049 1
1 1029 . 19 1 1 A 88 88 LEU HA H 88 4.192 4.452 -0.260 1
1 1039 . 19 1 1 A 88 88 LEU C C 88 174.871 177.904 -3.033 1
1 1040 . 19 1 1 A 88 88 LEU CA C 88 55.691 55.331 0.360 1
1 1041 . 19 1 1 A 88 88 LEU CB C 88 41.708 43.245 -1.537 1
1 1045 . 19 1 1 A 88 88 LEU N N 88 118.730 119.478 -0.748 1
1 1046 . 19 1 1 A 89 89 ASP H H 89 7.902 7.635 0.267 1
1 1047 . 19 1 1 A 89 89 ASP HA H 89 4.601 4.376 0.225 1
1 1050 . 19 1 1 A 89 89 ASP C C 89 175.940 176.380 -0.440 1
1 1051 . 19 1 1 A 89 89 ASP CA C 89 53.641 56.072 -2.431 1
1 1052 . 19 1 1 A 89 89 ASP CB C 89 40.953 41.197 -0.244 1
1 1053 . 19 1 1 A 89 89 ASP N N 89 118.577 118.849 -0.272 1
1 1054 . 19 1 1 A 90 90 TYR H H 90 7.922 7.233 0.689 1
1 1055 . 19 1 1 A 90 90 TYR HA H 90 4.551 4.762 -0.211 1
1 1062 . 19 1 1 A 90 90 TYR C C 90 175.338 176.668 -1.330 1
1 1063 . 19 1 1 A 90 90 TYR CA C 90 57.505 56.825 0.680 1
1 1064 . 19 1 1 A 90 90 TYR CB C 90 38.147 39.004 -0.857 1
1 1067 . 19 1 1 A 90 90 TYR N N 90 121.632 112.974 8.658 1
1 1068 . 19 1 1 A 91 91 GLY H H 91 8.313 8.167 0.146 1
1 1069 . 19 1 1 A 91 91 GLY HA2 H 91 3.966 3.673 0.293 1
1 1070 . 19 1 1 A 91 91 GLY HA3 H 91 3.784 3.838 -0.054 1
1 1071 . 19 1 1 A 91 91 GLY C C 91 178.622 174.135 4.487 1
1 1072 . 19 1 1 A 91 91 GLY CA C 91 45.916 45.452 0.464 1
1 1073 . 19 1 1 A 91 91 GLY N N 91 108.097 109.273 -1.176 1
1 1074 . 19 1 1 A 92 92 VAL H H 92 7.078 7.572 -0.494 1
1 1075 . 19 1 1 A 92 92 VAL HA H 92 4.810 4.364 0.446 1
1 1083 . 19 1 1 A 92 92 VAL C C 92 176.954 175.796 1.158 1
1 1084 . 19 1 1 A 92 92 VAL CA C 92 59.083 61.634 -2.551 1
1 1085 . 19 1 1 A 92 92 VAL CB C 92 35.602 33.162 2.440 1
1 1088 . 19 1 1 A 92 92 VAL N N 92 113.901 117.958 -4.057 1
1 1089 . 19 1 1 A 93 93 CYS H H 93 9.086 8.615 0.471 1
1 1090 . 19 1 1 A 93 93 CYS HA H 93 4.118 4.742 -0.624 1
1 1093 . 19 1 1 A 93 93 CYS C C 93 173.477 176.431 -2.954 1
1 1094 . 19 1 1 A 93 93 CYS CA C 93 60.511 60.369 0.142 1
1 1095 . 19 1 1 A 93 93 CYS CB C 93 31.124 29.150 1.974 1
1 1096 . 19 1 1 A 93 93 CYS N N 93 126.248 122.555 3.693 1
1 1097 . 19 1 1 A 94 94 GLU H H 94 5.667 9.132 -3.465 1
1 1098 . 19 1 1 A 94 94 GLU HA H 94 4.073 4.063 0.010 1
1 1103 . 19 1 1 A 94 94 GLU C C 94 176.973 178.162 -1.189 1
1 1104 . 19 1 1 A 94 94 GLU CA C 94 57.434 59.121 -1.687 1
1 1105 . 19 1 1 A 94 94 GLU CB C 94 28.813 29.107 -0.294 1
1 1107 . 19 1 1 A 94 94 GLU N N 94 126.541 127.750 -1.209 1
1 1108 . 19 1 1 A 95 95 LYS H H 95 9.002 7.203 1.799 1
1 1109 . 19 1 1 A 95 95 LYS HA H 95 4.076 4.250 -0.174 1
1 1118 . 19 1 1 A 95 95 LYS C C 95 174.890 177.003 -2.113 1
1 1119 . 19 1 1 A 95 95 LYS CA C 95 57.782 58.144 -0.362 1
1 1120 . 19 1 1 A 95 95 LYS CB C 95 34.056 33.432 0.624 1
1 1124 . 19 1 1 A 95 95 LYS N N 95 123.753 117.829 5.924 1
1 1125 . 19 1 1 A 96 96 CYS H H 96 9.063 7.636 1.427 1
1 1126 . 19 1 1 A 96 96 CYS HA H 96 4.755 4.864 -0.109 1
1 1129 . 19 1 1 A 96 96 CYS C C 96 174.775 174.006 0.769 1
1 1130 . 19 1 1 A 96 96 CYS CA C 96 58.756 57.603 1.153 1
1 1131 . 19 1 1 A 96 96 CYS CB C 96 32.066 29.405 2.661 1
1 1132 . 19 1 1 A 96 96 CYS N N 96 120.699 115.428 5.271 1
1 1133 . 19 1 1 A 97 97 HIS H H 97 7.541 8.809 -1.268 1
1 1134 . 19 1 1 A 97 97 HIS HA H 97 4.474 4.482 -0.008 1
1 1139 . 19 1 1 A 97 97 HIS C C 97 178.193 174.044 4.149 1
1 1140 . 19 1 1 A 97 97 HIS CA C 97 57.481 55.927 1.554 1
1 1141 . 19 1 1 A 97 97 HIS CB C 97 27.126 29.016 -1.890 1
1 1144 . 19 1 1 A 97 97 HIS N N 97 116.676 121.675 -4.999 1
1 1147 . 19 1 1 A 98 98 SER H H 98 8.775 8.035 0.740 1
1 1148 . 19 1 1 A 98 98 SER HA H 98 4.322 5.091 -0.769 1
1 1151 . 19 1 1 A 98 98 SER C C 98 176.432 173.724 2.708 1
1 1152 . 19 1 1 A 98 98 SER CA C 98 58.923 57.518 1.405 1
1 1153 . 19 1 1 A 98 98 SER CB C 98 64.790 66.887 -2.097 1
1 1154 . 19 1 1 A 98 98 SER N N 98 116.989 114.907 2.082 1
1 1155 . 19 1 1 A 99 99 LYS H H 99 8.567 8.787 -0.220 1
1 1156 . 19 1 1 A 99 99 LYS HA H 99 4.935 4.656 0.279 1
1 1165 . 19 1 1 A 99 99 LYS C C 99 173.648 177.014 -3.366 1
1 1166 . 19 1 1 A 99 99 LYS CA C 99 56.417 55.794 0.623 1
1 1167 . 19 1 1 A 99 99 LYS CB C 99 32.366 32.308 0.058 1
1 1171 . 19 1 1 A 99 99 LYS N N 99 122.510 121.752 0.758 1
1 1172 . 19 1 1 A 100 100 ASN H H 100 9.426 8.370 1.056 1
1 1173 . 19 1 1 A 100 100 ASN HA H 100 4.916 4.557 0.359 1
1 1178 . 19 1 1 A 100 100 ASN C C 100 178.498 175.561 2.937 1
1 1179 . 19 1 1 A 100 100 ASN CA C 100 51.999 53.880 -1.881 1
1 1180 . 19 1 1 A 100 100 ASN CB C 100 36.539 37.691 -1.152 1
1 1181 . 19 1 1 A 100 100 ASN N N 100 124.489 117.629 6.860 1
1 1183 . 19 1 1 A 101 101 VAL H H 101 7.627 7.443 0.184 1
1 1184 . 19 1 1 A 101 101 VAL HA H 101 5.329 4.101 1.228 1
1 1192 . 19 1 1 A 101 101 VAL C C 101 175.484 175.856 -0.372 1
1 1193 . 19 1 1 A 101 101 VAL CA C 101 58.253 62.087 -3.834 1
1 1194 . 19 1 1 A 101 101 VAL CB C 101 34.692 32.360 2.332 1
1 1197 . 19 1 1 A 101 101 VAL N N 101 112.585 119.603 -7.018 1
1 1198 . 19 1 1 A 102 102 ILE H H 102 9.032 8.797 0.235 1
1 1199 . 19 1 1 A 102 102 ILE HA H 102 4.671 4.790 -0.119 1
1 1209 . 19 1 1 A 102 102 ILE C C 102 177.283 174.556 2.727 1
1 1210 . 19 1 1 A 102 102 ILE CA C 102 58.979 58.575 0.404 1
1 1211 . 19 1 1 A 102 102 ILE CB C 102 41.970 41.869 0.101 1
1 1215 . 19 1 1 A 102 102 ILE N N 102 119.819 119.005 0.814 1
1 1216 . 19 1 1 A 103 103 ILE H H 103 8.364 8.901 -0.537 1
1 1217 . 19 1 1 A 103 103 ILE HA H 103 4.527 4.227 0.300 1
1 1227 . 19 1 1 A 103 103 ILE C C 103 174.186 176.434 -2.248 1
1 1228 . 19 1 1 A 103 103 ILE CA C 103 61.366 61.334 0.032 1
1 1229 . 19 1 1 A 103 103 ILE CB C 103 38.577 36.855 1.722 1
1 1233 . 19 1 1 A 103 103 ILE N N 103 123.325 124.890 -1.565 1
1 1234 . 19 1 1 A 104 104 THR H H 104 8.796 8.867 -0.071 1
1 1235 . 19 1 1 A 104 104 THR HA H 104 4.260 4.341 -0.081 1
1 1240 . 19 1 1 A 104 104 THR C C 104 176.317 173.842 2.475 1
1 1241 . 19 1 1 A 104 104 THR CA C 104 62.708 63.468 -0.760 1
1 1242 . 19 1 1 A 104 104 THR CB C 104 68.431 69.528 -1.097 1
1 1244 . 19 1 1 A 104 104 THR N N 104 120.825 123.160 -2.335 1
1 1245 . 19 1 1 A 105 105 GLN H H 105 7.705 7.760 -0.055 1
1 1246 . 19 1 1 A 105 105 GLN HA H 105 4.482 4.553 -0.071 1
1 1253 . 19 1 1 A 105 105 GLN C C 105 177.316 175.238 2.078 1
1 1254 . 19 1 1 A 105 105 GLN CA C 105 55.621 55.526 0.095 1
1 1255 . 19 1 1 A 105 105 GLN CB C 105 31.897 31.504 0.393 1
1 1257 . 19 1 1 A 105 105 GLN N N 105 118.599 120.103 -1.504 1
1 1259 . 19 1 1 A 106 106 GLY H H 106 9.091 8.872 0.219 1
1 1260 . 19 1 1 A 106 106 GLY HA2 H 106 3.472 3.985 -0.513 1
1 1261 . 19 1 1 A 106 106 GLY HA3 H 106 4.255 3.990 0.265 1
1 1262 . 19 1 1 A 106 106 GLY C C 106 178.226 175.223 3.003 1
1 1263 . 19 1 1 A 106 106 GLY CA C 106 45.497 45.992 -0.495 1
1 1264 . 19 1 1 A 106 106 GLY N N 106 106.938 115.188 -8.250 1
1 1265 . 19 1 1 A 107 107 ASN H H 107 8.542 7.961 0.581 1
1 1266 . 19 1 1 A 107 107 ASN HA H 107 4.670 4.419 0.251 1
1 1271 . 19 1 1 A 107 107 ASN C C 107 176.917 175.111 1.806 1
1 1272 . 19 1 1 A 107 107 ASN CA C 107 52.697 55.531 -2.834 1
1 1273 . 19 1 1 A 107 107 ASN CB C 107 39.745 39.259 0.486 1
1 1274 . 19 1 1 A 107 107 ASN N N 107 117.838 120.052 -2.214 1
1 1276 . 19 1 1 A 108 108 GLU H H 108 8.050 7.573 0.477 1
1 1277 . 19 1 1 A 108 108 GLU HA H 108 4.638 4.681 -0.043 1
1 1282 . 19 1 1 A 108 108 GLU C C 108 176.463 175.330 1.133 1
1 1283 . 19 1 1 A 108 108 GLU CA C 108 55.693 54.911 0.782 1
1 1284 . 19 1 1 A 108 108 GLU CB C 108 32.643 32.197 0.446 1
1 1286 . 19 1 1 A 108 108 GLU N N 108 118.542 114.673 3.869 1
1 1287 . 19 1 1 A 109 109 MET H H 109 8.431 8.468 -0.037 1
1 1288 . 19 1 1 A 109 109 MET HA H 109 5.236 4.533 0.703 1
1 1296 . 19 1 1 A 109 109 MET C C 109 176.443 175.543 0.900 1
1 1297 . 19 1 1 A 109 109 MET CA C 109 54.801 55.093 -0.292 1
1 1298 . 19 1 1 A 109 109 MET CB C 109 33.115 33.646 -0.531 1
1 1301 . 19 1 1 A 109 109 MET N N 109 121.401 118.973 2.428 1
1 1302 . 19 1 1 A 110 110 ARG H H 110 9.166 9.000 0.166 1
1 1303 . 19 1 1 A 110 110 ARG HA H 110 4.771 5.019 -0.248 1
1 1311 . 19 1 1 A 110 110 ARG C C 110 177.215 174.776 2.439 1
1 1312 . 19 1 1 A 110 110 ARG CA C 110 54.826 54.483 0.343 1
1 1313 . 19 1 1 A 110 110 ARG CB C 110 33.474 33.897 -0.423 1
1 1316 . 19 1 1 A 110 110 ARG N N 110 123.271 117.896 5.375 1
1 1318 . 19 1 1 A 111 111 LEU H H 111 8.874 8.601 0.273 1
1 1319 . 19 1 1 A 111 111 LEU HA H 111 4.335 4.495 -0.160 1
1 1329 . 19 1 1 A 111 111 LEU C C 111 175.976 176.815 -0.839 1
1 1330 . 19 1 1 A 111 111 LEU CA C 111 55.633 54.327 1.306 1
1 1331 . 19 1 1 A 111 111 LEU CB C 111 42.413 43.384 -0.971 1
1 1335 . 19 1 1 A 111 111 LEU N N 111 125.212 118.956 6.256 1
1 1336 . 19 1 1 A 112 112 LEU HA H 112 4.432 4.402 0.030 1
1 1346 . 19 1 1 A 112 112 LEU C C 112 173.898 176.498 -2.600 1
1 1347 . 19 1 1 A 112 112 LEU CA C 112 56.230 55.984 0.246 1
1 1348 . 19 1 1 A 112 112 LEU CB C 112 42.688 42.970 -0.282 1
1 1352 . 19 1 1 A 113 113 SER H H 113 7.895 7.256 0.639 1
1 1353 . 19 1 1 A 113 113 SER HA H 113 4.509 4.613 -0.104 1
1 1356 . 19 1 1 A 113 113 SER C C 113 180.240 172.074 8.166 1
1 1357 . 19 1 1 A 113 113 SER CA C 113 58.129 57.206 0.923 1
1 1358 . 19 1 1 A 113 113 SER CB C 113 64.473 64.845 -0.372 1
1 1359 . 19 1 1 A 113 113 SER N N 113 110.894 109.439 1.455 1
1 1360 . 19 1 1 A 114 114 LEU H H 114 8.151 8.698 -0.547 1
1 1361 . 19 1 1 A 114 114 LEU HA H 114 5.086 4.900 0.186 1
1 1371 . 19 1 1 A 114 114 LEU C C 114 175.777 175.875 -0.098 1
1 1372 . 19 1 1 A 114 114 LEU CA C 114 53.830 54.041 -0.211 1
1 1373 . 19 1 1 A 114 114 LEU CB C 114 46.471 44.005 2.466 1
1 1377 . 19 1 1 A 114 114 LEU N N 114 120.671 122.395 -1.724 1
1 1378 . 19 1 1 A 115 115 GLU H H 115 8.666 9.173 -0.507 1
1 1379 . 19 1 1 A 115 115 GLU HA H 115 4.823 4.578 0.245 1
1 1384 . 19 1 1 A 115 115 GLU C C 115 175.727 176.469 -0.742 1
1 1385 . 19 1 1 A 115 115 GLU CA C 115 55.127 56.426 -1.299 1
1 1386 . 19 1 1 A 115 115 GLU CB C 115 31.063 30.396 0.667 1
1 1388 . 19 1 1 A 115 115 GLU N N 115 122.105 124.614 -2.509 1
1 1389 . 19 1 1 A 116 116 MET H H 116 9.159 8.869 0.290 1
1 1390 . 19 1 1 A 116 116 MET HA H 116 4.989 5.088 -0.099 1
1 1398 . 19 1 1 A 116 116 MET C C 116 177.447 175.781 1.666 1
1 1399 . 19 1 1 A 116 116 MET CA C 116 54.669 54.382 0.287 1
1 1400 . 19 1 1 A 116 116 MET CB C 116 36.107 36.151 -0.044 1
1 1403 . 19 1 1 A 116 116 MET N N 116 123.947 122.746 1.201 1
1 1404 . 19 1 1 A 117 117 LEU H H 117 8.573 8.572 0.001 1
1 1405 . 19 1 1 A 117 117 LEU HA H 117 4.670 4.273 0.397 1
1 1412 . 19 1 1 A 117 117 LEU C C 117 175.990 177.599 -1.609 1
1 1413 . 19 1 1 A 117 117 LEU CA C 117 54.549 54.902 -0.353 1
1 1414 . 19 1 1 A 117 117 LEU CB C 117 44.045 42.959 1.086 1
1 1417 . 19 1 1 A 117 117 LEU N N 117 122.478 123.713 -1.235 1
1 1418 . 19 1 1 A 118 118 ALA H H 118 8.714 8.774 -0.060 1
1 1419 . 19 1 1 A 118 118 ALA HA H 118 4.604 3.954 0.650 1
1 1423 . 19 1 1 A 118 118 ALA C C 118 175.279 176.832 -1.553 1
1 1424 . 19 1 1 A 118 118 ALA CA C 118 52.155 54.421 -2.266 1
1 1425 . 19 1 1 A 118 118 ALA CB C 118 20.444 17.095 3.349 1
1 1426 . 19 1 1 A 118 118 ALA N N 118 127.701 120.766 6.935 1
1 4 . 20 1 1 A 2 2 SER HA H 2 4.544 4.725 -0.181 1
1 7 . 20 1 1 A 2 2 SER CA C 2 58.424 57.797 0.627 1
1 8 . 20 1 1 A 2 2 SER CB C 2 64.017 62.483 1.534 1
1 13 . 20 1 1 A 4 4 HIS HA H 4 4.504 4.798 -0.294 1
1 17 . 20 1 1 A 4 4 HIS C C 4 175.043 176.082 -1.039 1
1 18 . 20 1 1 A 4 4 HIS CA C 4 58.574 55.691 2.883 1
1 19 . 20 1 1 A 4 4 HIS CB C 4 30.859 32.408 -1.549 1
1 20 . 20 1 1 A 5 5 GLU H H 5 10.002 7.957 2.045 1
1 21 . 20 1 1 A 5 5 GLU HA H 5 3.831 3.838 -0.007 1
1 26 . 20 1 1 A 5 5 GLU C C 5 173.758 177.666 -3.908 1
1 27 . 20 1 1 A 5 5 GLU CA C 5 61.822 59.473 2.349 1
1 28 . 20 1 1 A 5 5 GLU CB C 5 28.884 29.116 -0.232 1
1 30 . 20 1 1 A 5 5 GLU N N 5 120.850 118.927 1.923 1
1 31 . 20 1 1 A 6 6 TYR H H 6 8.163 7.466 0.697 1
1 32 . 20 1 1 A 6 6 TYR HA H 6 4.066 4.320 -0.254 1
1 39 . 20 1 1 A 6 6 TYR C C 6 173.754 176.705 -2.951 1
1 40 . 20 1 1 A 6 6 TYR CA C 6 61.029 59.196 1.833 1
1 41 . 20 1 1 A 6 6 TYR CB C 6 37.391 37.168 0.223 1
1 44 . 20 1 1 A 6 6 TYR N N 6 117.171 118.805 -1.634 1
1 45 . 20 1 1 A 7 7 SER H H 7 7.929 7.897 0.032 1
1 46 . 20 1 1 A 7 7 SER HA H 7 4.265 4.088 0.177 1
1 49 . 20 1 1 A 7 7 SER C C 7 174.434 176.730 -2.296 1
1 50 . 20 1 1 A 7 7 SER CA C 7 61.471 61.122 0.349 1
1 51 . 20 1 1 A 7 7 SER CB C 7 62.686 61.995 0.691 1
1 52 . 20 1 1 A 7 7 SER N N 7 116.417 115.799 0.618 1
1 53 . 20 1 1 A 8 8 VAL H H 8 8.088 7.932 0.156 1
1 54 . 20 1 1 A 8 8 VAL HA H 8 3.795 3.730 0.065 1
1 62 . 20 1 1 A 8 8 VAL C C 8 172.652 178.212 -5.560 1
1 63 . 20 1 1 A 8 8 VAL CA C 8 66.036 66.966 -0.930 1
1 64 . 20 1 1 A 8 8 VAL CB C 8 31.811 31.620 0.191 1
1 67 . 20 1 1 A 8 8 VAL N N 8 122.514 121.371 1.143 1
1 68 . 20 1 1 A 9 9 VAL H H 9 8.255 8.097 0.158 1
1 69 . 20 1 1 A 9 9 VAL HA H 9 3.539 3.546 -0.007 1
1 77 . 20 1 1 A 9 9 VAL C C 9 174.142 177.866 -3.724 1
1 78 . 20 1 1 A 9 9 VAL CA C 9 67.201 66.846 0.355 1
1 79 . 20 1 1 A 9 9 VAL CB C 9 30.859 31.247 -0.388 1
1 82 . 20 1 1 A 9 9 VAL N N 9 120.829 120.362 0.467 1
1 83 . 20 1 1 A 10 10 SER H H 10 8.179 8.169 0.010 1
1 84 . 20 1 1 A 10 10 SER HA H 10 3.726 4.025 -0.299 1
1 87 . 20 1 1 A 10 10 SER C C 10 173.669 177.380 -3.711 1
1 88 . 20 1 1 A 10 10 SER CA C 10 62.397 61.624 0.773 1
1 89 . 20 1 1 A 10 10 SER CB C 10 62.470 62.829 -0.359 1
1 90 . 20 1 1 A 10 10 SER N N 10 115.937 115.331 0.606 1
1 91 . 20 1 1 A 11 11 SER H H 11 7.860 8.009 -0.149 1
1 92 . 20 1 1 A 11 11 SER HA H 11 4.312 4.159 0.153 1
1 95 . 20 1 1 A 11 11 SER C C 11 174.888 177.612 -2.724 1
1 96 . 20 1 1 A 11 11 SER CA C 11 61.863 61.647 0.216 1
1 97 . 20 1 1 A 11 11 SER CB C 11 62.638 63.210 -0.572 1
1 98 . 20 1 1 A 11 11 SER N N 11 117.940 115.563 2.377 1
1 99 . 20 1 1 A 12 12 LEU H H 12 8.197 8.364 -0.167 1
1 100 . 20 1 1 A 12 12 LEU HA H 12 4.331 4.192 0.139 1
1 110 . 20 1 1 A 12 12 LEU C C 12 172.791 178.783 -5.992 1
1 111 . 20 1 1 A 12 12 LEU CA C 12 58.035 58.374 -0.339 1
1 112 . 20 1 1 A 12 12 LEU CB C 12 42.062 41.733 0.329 1
1 116 . 20 1 1 A 12 12 LEU N N 12 125.411 121.868 3.543 1
1 117 . 20 1 1 A 13 13 ILE H H 13 8.689 8.218 0.471 1
1 118 . 20 1 1 A 13 13 ILE HA H 13 3.654 3.680 -0.026 1
1 128 . 20 1 1 A 13 13 ILE C C 13 173.945 177.683 -3.738 1
1 129 . 20 1 1 A 13 13 ILE CA C 13 65.287 66.014 -0.727 1
1 130 . 20 1 1 A 13 13 ILE CB C 13 36.843 37.817 -0.974 1
1 134 . 20 1 1 A 13 13 ILE N N 13 121.352 119.841 1.511 1
1 135 . 20 1 1 A 14 14 ALA H H 14 7.692 8.508 -0.816 1
1 136 . 20 1 1 A 14 14 ALA HA H 14 4.218 3.965 0.253 1
1 140 . 20 1 1 A 14 14 ALA C C 14 170.805 180.295 -9.490 1
1 141 . 20 1 1 A 14 14 ALA CA C 14 55.484 55.156 0.328 1
1 142 . 20 1 1 A 14 14 ALA CB C 14 17.698 17.985 -0.287 1
1 143 . 20 1 1 A 14 14 ALA N N 14 121.374 123.114 -1.740 1
1 144 . 20 1 1 A 15 15 LEU H H 15 8.040 8.181 -0.141 1
1 145 . 20 1 1 A 15 15 LEU HA H 15 4.253 3.781 0.472 1
1 152 . 20 1 1 A 15 15 LEU C C 15 171.818 179.007 -7.189 1
1 153 . 20 1 1 A 15 15 LEU CA C 15 58.208 58.013 0.195 1
1 154 . 20 1 1 A 15 15 LEU CB C 15 42.286 41.591 0.695 1
1 157 . 20 1 1 A 15 15 LEU N N 15 121.328 118.089 3.239 1
1 158 . 20 1 1 A 16 16 CYS H H 16 8.587 8.542 0.045 1
1 159 . 20 1 1 A 16 16 CYS HA H 16 3.954 4.194 -0.240 1
1 162 . 20 1 1 A 16 16 CYS C C 16 174.494 177.049 -2.555 1
1 163 . 20 1 1 A 16 16 CYS CA C 16 64.933 63.078 1.855 1
1 164 . 20 1 1 A 16 16 CYS CB C 16 26.960 26.970 -0.010 1
1 165 . 20 1 1 A 16 16 CYS N N 16 118.908 118.055 0.853 1
1 166 . 20 1 1 A 17 17 GLU H H 17 8.576 8.465 0.111 1
1 167 . 20 1 1 A 17 17 GLU HA H 17 3.806 3.982 -0.176 1
1 172 . 20 1 1 A 17 17 GLU C C 17 172.225 178.760 -6.535 1
1 173 . 20 1 1 A 17 17 GLU CA C 17 60.306 59.802 0.504 1
1 174 . 20 1 1 A 17 17 GLU CB C 17 29.130 28.966 0.164 1
1 176 . 20 1 1 A 17 17 GLU N N 17 118.419 121.221 -2.802 1
1 177 . 20 1 1 A 18 18 GLU H H 18 8.156 8.300 -0.144 1
1 178 . 20 1 1 A 18 18 GLU HA H 18 4.115 4.008 0.107 1
1 183 . 20 1 1 A 18 18 GLU C C 18 172.241 179.159 -6.918 1
1 184 . 20 1 1 A 18 18 GLU CA C 18 59.507 59.468 0.039 1
1 185 . 20 1 1 A 18 18 GLU CB C 18 29.335 29.480 -0.145 1
1 187 . 20 1 1 A 18 18 GLU N N 18 121.603 119.470 2.133 1
1 188 . 20 1 1 A 19 19 HIS H H 19 8.379 8.089 0.290 1
1 189 . 20 1 1 A 19 19 HIS HA H 19 4.174 4.426 -0.252 1
1 194 . 20 1 1 A 19 19 HIS C C 19 172.511 177.776 -5.265 1
1 195 . 20 1 1 A 19 19 HIS CA C 19 60.525 59.389 1.136 1
1 196 . 20 1 1 A 19 19 HIS CB C 19 31.354 29.585 1.769 1
1 198 . 20 1 1 A 19 19 HIS N N 19 119.634 118.955 0.679 1
1 201 . 20 1 1 A 20 20 ALA H H 20 8.568 8.441 0.127 1
1 202 . 20 1 1 A 20 20 ALA HA H 20 4.143 3.882 0.261 1
1 206 . 20 1 1 A 20 20 ALA C C 20 172.155 179.286 -7.131 1
1 207 . 20 1 1 A 20 20 ALA CA C 20 55.716 55.279 0.437 1
1 208 . 20 1 1 A 20 20 ALA CB C 20 17.682 18.175 -0.493 1
1 209 . 20 1 1 A 20 20 ALA N N 20 122.453 122.391 0.062 1
1 210 . 20 1 1 A 21 21 LYS H H 21 8.055 7.939 0.116 1
1 211 . 20 1 1 A 21 21 LYS HA H 21 4.128 3.826 0.302 1
1 220 . 20 1 1 A 21 21 LYS C C 21 170.753 178.802 -8.049 1
1 221 . 20 1 1 A 21 21 LYS CA C 21 59.469 59.138 0.331 1
1 222 . 20 1 1 A 21 21 LYS CB C 21 32.369 31.871 0.498 1
1 226 . 20 1 1 A 21 21 LYS N N 21 118.604 116.325 2.279 1
1 227 . 20 1 1 A 22 22 LYS H H 22 8.092 7.633 0.459 1
1 228 . 20 1 1 A 22 22 LYS HA H 22 4.100 3.978 0.122 1
1 237 . 20 1 1 A 22 22 LYS C C 22 174.300 178.270 -3.970 1
1 238 . 20 1 1 A 22 22 LYS CA C 22 58.920 59.407 -0.487 1
1 239 . 20 1 1 A 22 22 LYS CB C 22 32.406 32.328 0.078 1
1 243 . 20 1 1 A 22 22 LYS N N 22 119.468 119.678 -0.210 1
1 244 . 20 1 1 A 23 23 ASN H H 23 7.461 7.826 -0.365 1
1 245 . 20 1 1 A 23 23 ASN HA H 23 4.710 4.795 -0.085 1
1 248 . 20 1 1 A 23 23 ASN C C 23 178.526 174.760 3.766 1
1 249 . 20 1 1 A 23 23 ASN CA C 23 53.514 53.100 0.414 1
1 250 . 20 1 1 A 23 23 ASN CB C 23 40.124 38.823 1.301 1
1 251 . 20 1 1 A 23 23 ASN N N 23 115.166 116.783 -1.617 1
1 252 . 20 1 1 A 24 24 GLN H H 24 7.879 7.837 0.042 1
1 253 . 20 1 1 A 24 24 GLN HA H 24 3.927 3.719 0.208 1
1 260 . 20 1 1 A 24 24 GLN C C 24 177.284 175.367 1.917 1
1 261 . 20 1 1 A 24 24 GLN CA C 24 57.083 56.891 0.192 1
1 262 . 20 1 1 A 24 24 GLN CB C 24 26.400 26.099 0.301 1
1 264 . 20 1 1 A 24 24 GLN N N 24 116.046 116.406 -0.360 1
1 266 . 20 1 1 A 25 25 ALA H H 25 8.491 8.220 0.271 1
1 267 . 20 1 1 A 25 25 ALA HA H 25 4.600 4.236 0.364 1
1 271 . 20 1 1 A 25 25 ALA C C 25 174.729 177.998 -3.269 1
1 272 . 20 1 1 A 25 25 ALA CA C 25 51.416 54.320 -2.904 1
1 273 . 20 1 1 A 25 25 ALA CB C 25 21.350 19.513 1.837 1
1 274 . 20 1 1 A 25 25 ALA N N 25 120.372 120.403 -0.031 1
1 275 . 20 1 1 A 26 26 HIS H H 26 8.476 7.757 0.719 1
1 276 . 20 1 1 A 26 26 HIS HA H 26 4.736 4.181 0.555 1
1 280 . 20 1 1 A 26 26 HIS C C 26 176.751 173.570 3.181 1
1 281 . 20 1 1 A 26 26 HIS CA C 26 56.211 57.331 -1.120 1
1 282 . 20 1 1 A 26 26 HIS CB C 26 31.838 27.209 4.629 1
1 284 . 20 1 1 A 26 26 HIS N N 26 117.648 112.185 5.463 1
1 285 . 20 1 1 A 27 27 LYS H H 27 7.540 7.360 0.180 1
1 286 . 20 1 1 A 27 27 LYS HA H 27 4.766 4.540 0.226 1
1 295 . 20 1 1 A 27 27 LYS C C 27 176.918 173.864 3.054 1
1 296 . 20 1 1 A 27 27 LYS CA C 27 55.877 54.961 0.916 1
1 297 . 20 1 1 A 27 27 LYS CB C 27 36.796 35.083 1.713 1
1 301 . 20 1 1 A 27 27 LYS N N 27 116.451 113.628 2.823 1
1 302 . 20 1 1 A 28 28 ILE H H 28 8.320 8.806 -0.486 1
1 303 . 20 1 1 A 28 28 ILE HA H 28 4.319 4.945 -0.626 1
1 310 . 20 1 1 A 28 28 ILE C C 28 176.921 175.845 1.076 1
1 311 . 20 1 1 A 28 28 ILE CA C 28 60.552 59.669 0.883 1
1 312 . 20 1 1 A 28 28 ILE CB C 28 38.843 40.948 -2.105 1
1 313 . 20 1 1 A 28 28 ILE N N 28 123.140 121.701 1.439 1
1 314 . 20 1 1 A 29 29 GLU H H 29 9.001 9.409 -0.408 1
1 315 . 20 1 1 A 29 29 GLU HA H 29 4.446 4.501 -0.055 1
1 320 . 20 1 1 A 29 29 GLU C C 29 174.406 175.687 -1.281 1
1 321 . 20 1 1 A 29 29 GLU CA C 29 57.363 57.836 -0.473 1
1 322 . 20 1 1 A 29 29 GLU CB C 29 31.761 31.595 0.166 1
1 324 . 20 1 1 A 29 29 GLU N N 29 125.872 124.940 0.932 1
1 325 . 20 1 1 A 30 30 ARG H H 30 7.654 7.718 -0.064 1
1 326 . 20 1 1 A 30 30 ARG HA H 30 5.282 4.756 0.526 1
1 334 . 20 1 1 A 30 30 ARG C C 30 178.750 174.553 4.197 1
1 335 . 20 1 1 A 30 30 ARG CA C 30 55.558 55.355 0.203 1
1 336 . 20 1 1 A 30 30 ARG CB C 30 34.774 33.145 1.629 1
1 338 . 20 1 1 A 30 30 ARG N N 30 119.436 118.954 0.482 1
1 340 . 20 1 1 A 31 31 VAL H H 31 9.234 9.094 0.140 1
1 341 . 20 1 1 A 31 31 VAL HA H 31 4.397 4.229 0.168 1
1 349 . 20 1 1 A 31 31 VAL C C 31 178.662 175.242 3.420 1
1 350 . 20 1 1 A 31 31 VAL CA C 31 60.882 62.995 -2.113 1
1 351 . 20 1 1 A 31 31 VAL CB C 31 34.494 32.259 2.235 1
1 354 . 20 1 1 A 31 31 VAL N N 31 127.428 126.288 1.140 1
1 355 . 20 1 1 A 32 32 VAL H H 32 8.626 8.736 -0.110 1
1 356 . 20 1 1 A 32 32 VAL HA H 32 5.039 5.021 0.018 1
1 364 . 20 1 1 A 32 32 VAL C C 32 175.519 174.164 1.355 1
1 365 . 20 1 1 A 32 32 VAL CA C 32 60.917 60.613 0.304 1
1 366 . 20 1 1 A 32 32 VAL CB C 32 31.892 34.168 -2.276 1
1 368 . 20 1 1 A 32 32 VAL N N 32 126.581 127.151 -0.570 1
1 369 . 20 1 1 A 33 33 VAL H H 33 8.802 9.267 -0.465 1
1 370 . 20 1 1 A 33 33 VAL HA H 33 4.917 5.034 -0.117 1
1 378 . 20 1 1 A 33 33 VAL C C 33 178.038 173.347 4.691 1
1 379 . 20 1 1 A 33 33 VAL CA C 33 58.975 59.433 -0.458 1
1 380 . 20 1 1 A 33 33 VAL CB C 33 35.109 35.452 -0.343 1
1 383 . 20 1 1 A 33 33 VAL N N 33 122.994 128.225 -5.231 1
1 384 . 20 1 1 A 34 34 GLY H H 34 9.535 9.186 0.349 1
1 385 . 20 1 1 A 34 34 GLY HA2 H 34 5.187 4.195 0.992 1
1 386 . 20 1 1 A 34 34 GLY HA3 H 34 3.404 4.197 -0.793 1
1 387 . 20 1 1 A 34 34 GLY C C 34 178.060 172.050 6.010 1
1 388 . 20 1 1 A 34 34 GLY CA C 34 44.108 44.495 -0.387 1
1 389 . 20 1 1 A 34 34 GLY N N 34 112.269 114.247 -1.978 1
1 390 . 20 1 1 A 35 35 ILE H H 35 8.761 9.391 -0.630 1
1 391 . 20 1 1 A 35 35 ILE HA H 35 4.340 4.707 -0.367 1
1 401 . 20 1 1 A 35 35 ILE C C 35 174.823 176.280 -1.457 1
1 402 . 20 1 1 A 35 35 ILE CA C 35 60.287 59.318 0.969 1
1 403 . 20 1 1 A 35 35 ILE CB C 35 39.357 41.159 -1.802 1
1 407 . 20 1 1 A 35 35 ILE N N 35 123.848 125.450 -1.602 1
1 408 . 20 1 1 A 36 36 GLY H H 36 8.439 8.610 -0.171 1
1 409 . 20 1 1 A 36 36 GLY HA2 H 36 3.321 4.090 -0.769 1
1 410 . 20 1 1 A 36 36 GLY HA3 H 36 4.444 4.094 0.350 1
1 411 . 20 1 1 A 36 36 GLY C C 36 175.743 174.883 0.860 1
1 412 . 20 1 1 A 36 36 GLY CA C 36 46.389 45.750 0.639 1
1 413 . 20 1 1 A 36 36 GLY N N 36 117.219 113.888 3.331 1
1 414 . 20 1 1 A 37 37 GLU H H 37 8.756 9.047 -0.291 1
1 415 . 20 1 1 A 37 37 GLU HA H 37 4.277 4.106 0.171 1
1 420 . 20 1 1 A 37 37 GLU C C 37 174.413 176.870 -2.457 1
1 421 . 20 1 1 A 37 37 GLU CA C 37 58.568 58.412 0.156 1
1 422 . 20 1 1 A 37 37 GLU CB C 37 29.809 29.025 0.784 1
1 424 . 20 1 1 A 37 37 GLU N N 37 124.260 120.787 3.473 1
1 425 . 20 1 1 A 38 38 ARG H H 38 8.483 7.792 0.691 1
1 426 . 20 1 1 A 38 38 ARG HA H 38 4.594 4.525 0.069 1
1 434 . 20 1 1 A 38 38 ARG C C 38 175.250 176.606 -1.356 1
1 435 . 20 1 1 A 38 38 ARG CA C 38 54.916 55.580 -0.664 1
1 436 . 20 1 1 A 38 38 ARG CB C 38 29.706 30.799 -1.093 1
1 439 . 20 1 1 A 38 38 ARG N N 38 117.248 119.998 -2.750 1
1 441 . 20 1 1 A 39 39 SER H H 39 7.630 7.793 -0.163 1
1 442 . 20 1 1 A 39 39 SER HA H 39 4.139 4.330 -0.191 1
1 445 . 20 1 1 A 39 39 SER C C 39 176.694 173.910 2.784 1
1 446 . 20 1 1 A 39 39 SER CA C 39 59.524 60.775 -1.251 1
1 447 . 20 1 1 A 39 39 SER CB C 39 64.248 63.159 1.089 1
1 448 . 20 1 1 A 39 39 SER N N 39 115.086 115.170 -0.084 1
1 449 . 20 1 1 A 40 40 ALA H H 40 8.667 7.939 0.728 1
1 450 . 20 1 1 A 40 40 ALA HA H 40 4.267 3.983 0.284 1
1 454 . 20 1 1 A 40 40 ALA C C 40 174.406 176.302 -1.896 1
1 455 . 20 1 1 A 40 40 ALA CA C 40 52.641 53.604 -0.963 1
1 456 . 20 1 1 A 40 40 ALA CB C 40 17.976 17.866 0.110 1
1 457 . 20 1 1 A 40 40 ALA N N 40 126.133 122.381 3.752 1
1 458 . 20 1 1 A 41 41 MET H H 41 7.793 7.788 0.005 1
1 459 . 20 1 1 A 41 41 MET HA H 41 4.389 4.550 -0.161 1
1 467 . 20 1 1 A 41 41 MET C C 41 176.689 175.312 1.377 1
1 468 . 20 1 1 A 41 41 MET CA C 41 55.965 54.715 1.250 1
1 469 . 20 1 1 A 41 41 MET CB C 41 34.761 33.179 1.582 1
1 472 . 20 1 1 A 41 41 MET N N 41 117.758 116.832 0.926 1
1 473 . 20 1 1 A 42 42 ASP H H 42 9.667 8.875 0.792 1
1 474 . 20 1 1 A 42 42 ASP HA H 42 4.706 4.655 0.051 1
1 477 . 20 1 1 A 42 42 ASP C C 42 174.559 177.566 -3.007 1
1 478 . 20 1 1 A 42 42 ASP CA C 42 53.363 54.026 -0.663 1
1 479 . 20 1 1 A 42 42 ASP CB C 42 41.740 39.879 1.861 1
1 480 . 20 1 1 A 42 42 ASP N N 42 125.565 123.368 2.197 1
1 481 . 20 1 1 A 43 43 LYS H H 43 8.928 8.145 0.783 1
1 482 . 20 1 1 A 43 43 LYS HA H 43 3.752 4.125 -0.373 1
1 491 . 20 1 1 A 43 43 LYS C C 43 173.737 178.571 -4.834 1
1 492 . 20 1 1 A 43 43 LYS CA C 43 60.966 59.294 1.672 1
1 493 . 20 1 1 A 43 43 LYS CB C 43 32.585 31.942 0.643 1
1 497 . 20 1 1 A 43 43 LYS N N 43 127.256 124.490 2.766 1
1 498 . 20 1 1 A 44 44 SER H H 44 8.327 7.801 0.526 1
1 499 . 20 1 1 A 44 44 SER HA H 44 4.009 4.311 -0.302 1
1 502 . 20 1 1 A 44 44 SER C C 44 174.032 177.465 -3.433 1
1 503 . 20 1 1 A 44 44 SER CA C 44 62.461 61.033 1.428 1
1 504 . 20 1 1 A 44 44 SER CB C 44 62.281 62.887 -0.606 1
1 505 . 20 1 1 A 44 44 SER N N 44 114.797 115.186 -0.389 1
1 506 . 20 1 1 A 45 45 LEU H H 45 7.878 7.877 0.001 1
1 507 . 20 1 1 A 45 45 LEU HA H 45 4.254 4.108 0.146 1
1 517 . 20 1 1 A 45 45 LEU C C 45 172.915 178.881 -5.966 1
1 518 . 20 1 1 A 45 45 LEU CA C 45 57.128 58.408 -1.280 1
1 519 . 20 1 1 A 45 45 LEU CB C 45 41.738 41.995 -0.257 1
1 523 . 20 1 1 A 45 45 LEU N N 45 124.570 122.760 1.810 1
1 524 . 20 1 1 A 46 46 PHE H H 46 8.343 8.430 -0.087 1
1 525 . 20 1 1 A 46 46 PHE HA H 46 3.882 4.106 -0.224 1
1 532 . 20 1 1 A 46 46 PHE C C 46 175.104 177.142 -2.038 1
1 533 . 20 1 1 A 46 46 PHE CA C 46 61.820 61.669 0.151 1
1 534 . 20 1 1 A 46 46 PHE CB C 46 40.047 39.316 0.731 1
1 537 . 20 1 1 A 46 46 PHE N N 46 121.059 119.555 1.504 1
1 538 . 20 1 1 A 47 47 VAL H H 47 8.370 8.120 0.250 1
1 539 . 20 1 1 A 47 47 VAL HA H 47 3.466 3.510 -0.044 1
1 547 . 20 1 1 A 47 47 VAL C C 47 173.353 177.940 -4.587 1
1 548 . 20 1 1 A 47 47 VAL CA C 47 67.220 64.510 2.710 1
1 549 . 20 1 1 A 47 47 VAL CB C 47 31.927 31.211 0.716 1
1 552 . 20 1 1 A 47 47 VAL N N 47 118.023 119.248 -1.225 1
1 553 . 20 1 1 A 48 48 SER H H 48 7.967 8.077 -0.110 1
1 554 . 20 1 1 A 48 48 SER HA H 48 4.268 4.103 0.165 1
1 557 . 20 1 1 A 48 48 SER C C 48 174.187 177.242 -3.055 1
1 558 . 20 1 1 A 48 48 SER CA C 48 61.789 61.473 0.316 1
1 559 . 20 1 1 A 48 48 SER CB C 48 62.761 63.142 -0.381 1
1 560 . 20 1 1 A 48 48 SER N N 48 114.372 116.747 -2.375 1
1 561 . 20 1 1 A 49 49 ALA H H 49 8.489 7.921 0.568 1
1 562 . 20 1 1 A 49 49 ALA HA H 49 3.931 4.213 -0.282 1
1 566 . 20 1 1 A 49 49 ALA C C 49 172.626 179.474 -6.848 1
1 567 . 20 1 1 A 49 49 ALA CA C 49 55.067 55.004 0.063 1
1 568 . 20 1 1 A 49 49 ALA CB C 49 17.587 18.375 -0.788 1
1 569 . 20 1 1 A 49 49 ALA N N 49 124.199 122.990 1.209 1
1 570 . 20 1 1 A 50 50 PHE H H 50 8.510 8.408 0.102 1
1 571 . 20 1 1 A 50 50 PHE HA H 50 3.763 3.912 -0.149 1
1 578 . 20 1 1 A 50 50 PHE C C 50 174.923 177.378 -2.455 1
1 579 . 20 1 1 A 50 50 PHE CA C 50 63.098 61.389 1.709 1
1 580 . 20 1 1 A 50 50 PHE CB C 50 39.465 38.935 0.530 1
1 583 . 20 1 1 A 50 50 PHE N N 50 120.967 119.635 1.332 1
1 584 . 20 1 1 A 51 51 GLU H H 51 8.561 8.744 -0.183 1
1 585 . 20 1 1 A 51 51 GLU HA H 51 3.717 3.882 -0.165 1
1 590 . 20 1 1 A 51 51 GLU C C 51 173.002 179.483 -6.481 1
1 591 . 20 1 1 A 51 51 GLU CA C 51 59.750 59.525 0.225 1
1 592 . 20 1 1 A 51 51 GLU CB C 51 29.330 29.523 -0.193 1
1 594 . 20 1 1 A 51 51 GLU N N 51 116.915 117.868 -0.953 1
1 595 . 20 1 1 A 52 52 THR H H 52 7.759 8.330 -0.571 1
1 596 . 20 1 1 A 52 52 THR HA H 52 4.090 3.923 0.167 1
1 601 . 20 1 1 A 52 52 THR C C 52 174.897 176.013 -1.116 1
1 602 . 20 1 1 A 52 52 THR CA C 52 65.899 66.538 -0.639 1
1 603 . 20 1 1 A 52 52 THR CB C 52 69.172 68.906 0.266 1
1 605 . 20 1 1 A 52 52 THR N N 52 114.348 117.119 -2.771 1
1 606 . 20 1 1 A 53 53 PHE H H 53 8.725 7.781 0.944 1
1 607 . 20 1 1 A 53 53 PHE HA H 53 4.335 4.448 -0.113 1
1 614 . 20 1 1 A 53 53 PHE C C 53 172.389 177.239 -4.850 1
1 615 . 20 1 1 A 53 53 PHE CA C 53 60.011 59.260 0.751 1
1 616 . 20 1 1 A 53 53 PHE CB C 53 38.244 37.847 0.397 1
1 619 . 20 1 1 A 53 53 PHE N N 53 120.493 117.305 3.188 1
1 620 . 20 1 1 A 54 54 ARG H H 54 8.579 8.515 0.064 1
1 621 . 20 1 1 A 54 54 ARG HA H 54 3.626 3.858 -0.232 1
1 625 . 20 1 1 A 54 54 ARG C C 54 175.195 177.419 -2.224 1
1 626 . 20 1 1 A 54 54 ARG CA C 54 59.252 58.564 0.688 1
1 627 . 20 1 1 A 54 54 ARG CB C 54 26.544 29.702 -3.158 1
1 629 . 20 1 1 A 54 54 ARG N N 54 119.132 119.163 -0.031 1
1 631 . 20 1 1 A 55 55 GLU H H 55 6.758 8.178 -1.420 1
1 632 . 20 1 1 A 55 55 GLU HA H 55 3.983 4.132 -0.149 1
1 637 . 20 1 1 A 55 55 GLU C C 55 174.356 177.978 -3.622 1
1 638 . 20 1 1 A 55 55 GLU CA C 55 58.002 58.486 -0.484 1
1 639 . 20 1 1 A 55 55 GLU CB C 55 29.865 29.198 0.667 1
1 641 . 20 1 1 A 55 55 GLU N N 55 115.466 118.481 -3.015 1
1 642 . 20 1 1 A 56 56 GLU H H 56 7.245 7.757 -0.512 1
1 643 . 20 1 1 A 56 56 GLU HA H 56 4.294 4.261 0.033 1
1 648 . 20 1 1 A 56 56 GLU C C 56 175.946 176.088 -0.142 1
1 649 . 20 1 1 A 56 56 GLU CA C 56 55.827 57.069 -1.242 1
1 650 . 20 1 1 A 56 56 GLU CB C 56 30.030 29.911 0.119 1
1 652 . 20 1 1 A 56 56 GLU N N 56 114.653 118.039 -3.386 1
1 653 . 20 1 1 A 57 57 SER H H 57 7.405 7.910 -0.505 1
1 654 . 20 1 1 A 57 57 SER HA H 57 4.707 4.897 -0.190 1
1 657 . 20 1 1 A 57 57 SER C C 57 176.895 174.267 2.628 1
1 658 . 20 1 1 A 57 57 SER CA C 57 55.456 57.562 -2.106 1
1 659 . 20 1 1 A 57 57 SER CB C 57 64.059 66.924 -2.865 1
1 660 . 20 1 1 A 57 57 SER N N 57 114.312 114.993 -0.681 1
1 661 . 20 1 1 A 58 58 LEU H H 58 8.819 8.777 0.042 1
1 662 . 20 1 1 A 58 58 LEU HA H 58 4.120 4.112 0.008 1
1 672 . 20 1 1 A 58 58 LEU C C 58 172.006 178.598 -6.592 1
1 673 . 20 1 1 A 58 58 LEU CA C 58 58.438 57.498 0.940 1
1 674 . 20 1 1 A 58 58 LEU CB C 58 41.839 42.175 -0.336 1
1 678 . 20 1 1 A 58 58 LEU N N 58 129.477 126.808 2.669 1
1 679 . 20 1 1 A 59 59 VAL H H 59 7.929 7.687 0.242 1
1 680 . 20 1 1 A 59 59 VAL HA H 59 4.305 4.075 0.230 1
1 688 . 20 1 1 A 59 59 VAL C C 59 173.624 177.712 -4.088 1
1 689 . 20 1 1 A 59 59 VAL CA C 59 64.028 64.015 0.013 1
1 690 . 20 1 1 A 59 59 VAL CB C 59 33.135 31.130 2.005 1
1 693 . 20 1 1 A 59 59 VAL N N 59 112.367 115.265 -2.898 1
1 694 . 20 1 1 A 60 60 CYS H H 60 7.786 7.918 -0.132 1
1 695 . 20 1 1 A 60 60 CYS HA H 60 4.589 4.306 0.283 1
1 698 . 20 1 1 A 60 60 CYS C C 60 176.508 176.746 -0.238 1
1 699 . 20 1 1 A 60 60 CYS CA C 60 59.907 61.585 -1.678 1
1 700 . 20 1 1 A 60 60 CYS CB C 60 28.211 27.253 0.958 1
1 701 . 20 1 1 A 60 60 CYS N N 60 115.412 120.746 -5.334 1
1 702 . 20 1 1 A 61 61 LYS H H 61 7.415 7.627 -0.212 1
1 703 . 20 1 1 A 61 61 LYS HA H 61 3.820 4.081 -0.261 1
1 712 . 20 1 1 A 61 61 LYS C C 61 175.812 176.091 -0.279 1
1 713 . 20 1 1 A 61 61 LYS CA C 61 60.389 58.633 1.756 1
1 714 . 20 1 1 A 61 61 LYS CB C 61 32.606 32.151 0.455 1
1 718 . 20 1 1 A 61 61 LYS N N 61 120.942 119.658 1.284 1
1 719 . 20 1 1 A 62 62 ASP C C 62 175.254 174.642 0.612 1
1 720 . 20 1 1 A 62 62 ASP CA C 62 55.159 53.256 1.903 1
1 721 . 20 1 1 A 62 62 ASP CB C 62 42.358 41.302 1.056 1
1 722 . 20 1 1 A 64 64 ILE H H 64 7.784 8.723 -0.939 1
1 723 . 20 1 1 A 64 64 ILE HA H 64 4.126 4.906 -0.780 1
1 733 . 20 1 1 A 64 64 ILE C C 64 177.456 174.453 3.003 1
1 734 . 20 1 1 A 64 64 ILE CA C 64 60.516 59.614 0.902 1
1 735 . 20 1 1 A 64 64 ILE CB C 64 39.990 42.315 -2.325 1
1 739 . 20 1 1 A 64 64 ILE N N 64 122.653 119.075 3.578 1
1 740 . 20 1 1 A 65 65 LEU H H 65 8.357 8.875 -0.518 1
1 741 . 20 1 1 A 65 65 LEU HA H 65 4.858 5.033 -0.175 1
1 751 . 20 1 1 A 65 65 LEU C C 65 176.625 173.622 3.003 1
1 752 . 20 1 1 A 65 65 LEU CA C 65 53.315 53.584 -0.269 1
1 753 . 20 1 1 A 65 65 LEU CB C 65 43.307 45.726 -2.419 1
1 757 . 20 1 1 A 65 65 LEU N N 65 128.311 126.976 1.335 1
1 758 . 20 1 1 A 66 66 ASP H H 66 9.088 9.213 -0.125 1
1 759 . 20 1 1 A 66 66 ASP HA H 66 5.009 5.284 -0.275 1
1 762 . 20 1 1 A 66 66 ASP C C 66 177.504 174.611 2.893 1
1 763 . 20 1 1 A 66 66 ASP CA C 66 53.137 52.759 0.378 1
1 764 . 20 1 1 A 66 66 ASP CB C 66 44.234 42.641 1.593 1
1 765 . 20 1 1 A 66 66 ASP N N 66 129.457 127.932 1.525 1
1 766 . 20 1 1 A 67 67 ILE H H 67 8.240 8.876 -0.636 1
1 767 . 20 1 1 A 67 67 ILE HA H 67 4.759 4.531 0.228 1
1 777 . 20 1 1 A 67 67 ILE C C 67 175.569 175.631 -0.062 1
1 778 . 20 1 1 A 67 67 ILE CA C 67 59.640 60.818 -1.178 1
1 779 . 20 1 1 A 67 67 ILE CB C 67 39.948 37.411 2.537 1
1 783 . 20 1 1 A 67 67 ILE N N 67 120.821 127.166 -6.345 1
1 784 . 20 1 1 A 68 68 VAL H H 68 9.310 8.818 0.492 1
1 785 . 20 1 1 A 68 68 VAL HA H 68 4.149 3.985 0.164 1
1 793 . 20 1 1 A 68 68 VAL C C 68 176.697 175.091 1.606 1
1 794 . 20 1 1 A 68 68 VAL CA C 68 60.707 62.956 -2.249 1
1 795 . 20 1 1 A 68 68 VAL CB C 68 34.121 31.923 2.198 1
1 798 . 20 1 1 A 68 68 VAL N N 68 130.182 128.211 1.971 1
1 799 . 20 1 1 A 69 69 ASP H H 69 8.577 8.783 -0.206 1
1 800 . 20 1 1 A 69 69 ASP HA H 69 4.847 4.732 0.115 1
1 803 . 20 1 1 A 69 69 ASP C C 69 175.713 174.766 0.947 1
1 804 . 20 1 1 A 69 69 ASP CA C 69 54.357 53.436 0.921 1
1 805 . 20 1 1 A 69 69 ASP CB C 69 41.353 40.875 0.478 1
1 806 . 20 1 1 A 69 69 ASP N N 69 127.151 128.561 -1.410 1
1 807 . 20 1 1 A 70 70 GLU H H 70 7.857 8.737 -0.880 1
1 808 . 20 1 1 A 70 70 GLU HA H 70 4.563 4.431 0.132 1
1 813 . 20 1 1 A 70 70 GLU C C 70 176.179 176.802 -0.623 1
1 814 . 20 1 1 A 70 70 GLU CA C 70 56.333 56.250 0.083 1
1 815 . 20 1 1 A 70 70 GLU CB C 70 31.503 30.427 1.076 1
1 817 . 20 1 1 A 70 70 GLU N N 70 123.503 126.713 -3.210 1
1 818 . 20 1 1 A 71 71 LYS H H 71 8.517 8.465 0.052 1
1 819 . 20 1 1 A 71 71 LYS HA H 71 4.261 4.439 -0.178 1
1 828 . 20 1 1 A 71 71 LYS C C 71 175.084 176.362 -1.278 1
1 829 . 20 1 1 A 71 71 LYS CA C 71 55.210 56.715 -1.505 1
1 830 . 20 1 1 A 71 71 LYS CB C 71 33.019 33.245 -0.226 1
1 834 . 20 1 1 A 71 71 LYS N N 71 124.197 123.070 1.127 1
1 835 . 20 1 1 A 72 72 VAL H H 72 8.612 8.783 -0.171 1
1 836 . 20 1 1 A 72 72 VAL HA H 72 4.277 5.199 -0.922 1
1 844 . 20 1 1 A 72 72 VAL C C 72 176.529 173.981 2.548 1
1 845 . 20 1 1 A 72 72 VAL CA C 72 63.133 59.417 3.716 1
1 846 . 20 1 1 A 72 72 VAL CB C 72 32.188 34.827 -2.639 1
1 849 . 20 1 1 A 72 72 VAL N N 72 119.616 118.926 0.690 1
1 850 . 20 1 1 A 73 73 GLU H H 73 7.750 8.423 -0.673 1
1 851 . 20 1 1 A 73 73 GLU HA H 73 4.469 4.754 -0.285 1
1 856 . 20 1 1 A 73 73 GLU C C 73 178.456 174.327 4.129 1
1 857 . 20 1 1 A 73 73 GLU CA C 73 55.241 55.028 0.213 1
1 858 . 20 1 1 A 73 73 GLU CB C 73 34.536 34.081 0.455 1
1 860 . 20 1 1 A 73 73 GLU N N 73 126.126 121.451 4.675 1
1 861 . 20 1 1 A 74 74 LEU H H 74 8.495 9.219 -0.724 1
1 862 . 20 1 1 A 74 74 LEU HA H 74 5.207 4.937 0.270 1
1 869 . 20 1 1 A 74 74 LEU C C 74 176.827 176.125 0.702 1
1 870 . 20 1 1 A 74 74 LEU CA C 74 52.600 53.524 -0.924 1
1 871 . 20 1 1 A 74 74 LEU CB C 74 45.404 43.208 2.196 1
1 874 . 20 1 1 A 74 74 LEU N N 74 123.821 126.362 -2.541 1
1 875 . 20 1 1 A 75 75 GLU H H 75 8.770 8.605 0.165 1
1 876 . 20 1 1 A 75 75 GLU HA H 75 5.127 4.402 0.725 1
1 881 . 20 1 1 A 75 75 GLU C C 75 176.617 175.583 1.034 1
1 882 . 20 1 1 A 75 75 GLU CA C 75 53.748 55.583 -1.835 1
1 883 . 20 1 1 A 75 75 GLU CB C 75 33.910 30.838 3.072 1
1 885 . 20 1 1 A 75 75 GLU N N 75 118.723 124.646 -5.923 1
1 886 . 20 1 1 A 76 76 CYS H H 76 9.354 8.542 0.812 1
1 887 . 20 1 1 A 76 76 CYS HA H 76 4.665 4.527 0.138 1
1 890 . 20 1 1 A 76 76 CYS C C 76 173.085 175.742 -2.657 1
1 891 . 20 1 1 A 76 76 CYS CA C 76 59.386 58.825 0.561 1
1 892 . 20 1 1 A 76 76 CYS CB C 76 32.476 28.398 4.078 1
1 893 . 20 1 1 A 76 76 CYS N N 76 128.378 121.184 7.194 1
1 894 . 20 1 1 A 77 77 LYS H H 77 9.328 8.768 0.560 1
1 895 . 20 1 1 A 77 77 LYS HA H 77 4.279 3.996 0.283 1
1 904 . 20 1 1 A 77 77 LYS C C 77 174.709 176.802 -2.093 1
1 905 . 20 1 1 A 77 77 LYS CA C 77 56.997 59.683 -2.686 1
1 906 . 20 1 1 A 77 77 LYS CB C 77 31.240 32.505 -1.265 1
1 910 . 20 1 1 A 77 77 LYS N N 77 129.264 126.163 3.101 1
1 911 . 20 1 1 A 78 78 ASP H H 78 9.182 8.284 0.898 1
1 912 . 20 1 1 A 78 78 ASP HA H 78 4.945 4.783 0.162 1
1 915 . 20 1 1 A 78 78 ASP C C 78 173.961 174.447 -0.486 1
1 916 . 20 1 1 A 78 78 ASP CA C 78 56.797 53.323 3.474 1
1 917 . 20 1 1 A 78 78 ASP CB C 78 42.214 41.121 1.093 1
1 918 . 20 1 1 A 78 78 ASP N N 78 122.206 117.859 4.347 1
1 919 . 20 1 1 A 79 79 CYS H H 79 9.871 7.890 1.981 1
1 920 . 20 1 1 A 79 79 CYS HA H 79 5.165 4.822 0.343 1
1 923 . 20 1 1 A 79 79 CYS C C 79 174.253 173.736 0.517 1
1 924 . 20 1 1 A 79 79 CYS CA C 79 59.123 57.632 1.491 1
1 925 . 20 1 1 A 79 79 CYS CB C 79 32.286 30.561 1.725 1
1 926 . 20 1 1 A 79 79 CYS N N 79 124.020 120.826 3.194 1
1 927 . 20 1 1 A 80 80 SER H H 80 7.667 8.669 -1.002 1
1 928 . 20 1 1 A 80 80 SER HA H 80 4.564 4.722 -0.158 1
1 931 . 20 1 1 A 80 80 SER C C 80 178.621 173.821 4.800 1
1 932 . 20 1 1 A 80 80 SER CA C 80 62.038 57.498 4.540 1
1 933 . 20 1 1 A 80 80 SER CB C 80 62.215 65.359 -3.144 1
1 934 . 20 1 1 A 80 80 SER N N 80 115.904 117.864 -1.960 1
1 935 . 20 1 1 A 81 81 HIS H H 81 8.916 7.819 1.097 1
1 936 . 20 1 1 A 81 81 HIS HA H 81 4.649 5.010 -0.361 1
1 941 . 20 1 1 A 81 81 HIS C C 81 178.299 173.293 5.006 1
1 942 . 20 1 1 A 81 81 HIS CA C 81 58.348 54.737 3.611 1
1 943 . 20 1 1 A 81 81 HIS CB C 81 33.016 33.236 -0.220 1
1 946 . 20 1 1 A 81 81 HIS N N 81 125.397 121.079 4.318 1
1 949 . 20 1 1 A 82 82 VAL H H 82 7.058 7.936 -0.878 1
1 950 . 20 1 1 A 82 82 VAL HA H 82 5.212 4.637 0.575 1
1 958 . 20 1 1 A 82 82 VAL C C 82 176.161 174.360 1.801 1
1 959 . 20 1 1 A 82 82 VAL CA C 82 60.567 60.606 -0.039 1
1 960 . 20 1 1 A 82 82 VAL CB C 82 34.355 35.562 -1.207 1
1 963 . 20 1 1 A 82 82 VAL N N 82 125.314 124.037 1.277 1
1 964 . 20 1 1 A 83 83 PHE H H 83 8.883 8.613 0.270 1
1 965 . 20 1 1 A 83 83 PHE HA H 83 4.842 5.285 -0.443 1
1 972 . 20 1 1 A 83 83 PHE C C 83 179.687 173.001 6.686 1
1 973 . 20 1 1 A 83 83 PHE CA C 83 55.495 55.263 0.232 1
1 974 . 20 1 1 A 83 83 PHE CB C 83 40.651 41.622 -0.971 1
1 978 . 20 1 1 A 83 83 PHE N N 83 122.377 122.618 -0.241 1
1 979 . 20 1 1 A 84 84 LYS H H 84 8.658 8.832 -0.174 1
1 980 . 20 1 1 A 84 84 LYS HA H 84 5.001 4.907 0.094 1
1 989 . 20 1 1 A 84 84 LYS C C 84 176.705 175.803 0.902 1
1 990 . 20 1 1 A 84 84 LYS CA C 84 52.738 54.115 -1.377 1
1 991 . 20 1 1 A 84 84 LYS CB C 84 32.660 33.614 -0.954 1
1 995 . 20 1 1 A 84 84 LYS N N 84 121.116 117.888 3.228 1
1 996 . 20 1 1 A 85 85 PRO HA H 85 4.663 4.593 0.070 1
1 1003 . 20 1 1 A 85 85 PRO C C 85 174.722 177.084 -2.362 1
1 1004 . 20 1 1 A 85 85 PRO CA C 85 62.633 63.161 -0.528 1
1 1005 . 20 1 1 A 85 85 PRO CB C 85 32.712 32.502 0.210 1
1 1008 . 20 1 1 A 86 86 ASN H H 86 8.983 8.976 0.007 1
1 1009 . 20 1 1 A 86 86 ASN HA H 86 4.704 4.586 0.118 1
1 1014 . 20 1 1 A 86 86 ASN C C 86 176.576 174.819 1.757 1
1 1015 . 20 1 1 A 86 86 ASN CA C 86 53.552 54.714 -1.162 1
1 1016 . 20 1 1 A 86 86 ASN CB C 86 39.208 38.158 1.050 1
1 1017 . 20 1 1 A 86 86 ASN N N 86 119.549 119.131 0.418 1
1 1019 . 20 1 1 A 87 87 ALA H H 87 8.122 7.676 0.446 1
1 1020 . 20 1 1 A 87 87 ALA HA H 87 4.369 3.826 0.543 1
1 1024 . 20 1 1 A 87 87 ALA C C 87 174.154 177.506 -3.352 1
1 1025 . 20 1 1 A 87 87 ALA CA C 87 52.560 52.917 -0.357 1
1 1026 . 20 1 1 A 87 87 ALA CB C 87 19.660 18.766 0.894 1
1 1027 . 20 1 1 A 87 87 ALA N N 87 122.483 122.501 -0.018 1
1 1028 . 20 1 1 A 88 88 LEU H H 88 8.195 8.163 0.032 1
1 1029 . 20 1 1 A 88 88 LEU HA H 88 4.192 4.488 -0.296 1
1 1039 . 20 1 1 A 88 88 LEU C C 88 174.871 178.180 -3.309 1
1 1040 . 20 1 1 A 88 88 LEU CA C 88 55.691 55.337 0.354 1
1 1041 . 20 1 1 A 88 88 LEU CB C 88 41.708 43.267 -1.559 1
1 1045 . 20 1 1 A 88 88 LEU N N 88 118.730 119.498 -0.768 1
1 1046 . 20 1 1 A 89 89 ASP H H 89 7.902 7.695 0.207 1
1 1047 . 20 1 1 A 89 89 ASP HA H 89 4.601 4.375 0.226 1
1 1050 . 20 1 1 A 89 89 ASP C C 89 175.940 176.376 -0.436 1
1 1051 . 20 1 1 A 89 89 ASP CA C 89 53.641 56.185 -2.544 1
1 1052 . 20 1 1 A 89 89 ASP CB C 89 40.953 41.225 -0.272 1
1 1053 . 20 1 1 A 89 89 ASP N N 89 118.577 119.047 -0.470 1
1 1054 . 20 1 1 A 90 90 TYR H H 90 7.922 7.278 0.644 1
1 1055 . 20 1 1 A 90 90 TYR HA H 90 4.551 4.765 -0.214 1
1 1062 . 20 1 1 A 90 90 TYR C C 90 175.338 176.714 -1.376 1
1 1063 . 20 1 1 A 90 90 TYR CA C 90 57.505 56.705 0.800 1
1 1064 . 20 1 1 A 90 90 TYR CB C 90 38.147 38.639 -0.492 1
1 1067 . 20 1 1 A 90 90 TYR N N 90 121.632 112.974 8.658 1
1 1068 . 20 1 1 A 91 91 GLY H H 91 8.313 8.186 0.127 1
1 1069 . 20 1 1 A 91 91 GLY HA2 H 91 3.966 3.746 0.220 1
1 1070 . 20 1 1 A 91 91 GLY HA3 H 91 3.784 3.884 -0.100 1
1 1071 . 20 1 1 A 91 91 GLY C C 91 178.622 174.169 4.453 1
1 1072 . 20 1 1 A 91 91 GLY CA C 91 45.916 45.565 0.351 1
1 1073 . 20 1 1 A 91 91 GLY N N 91 108.097 109.456 -1.359 1
1 1074 . 20 1 1 A 92 92 VAL H H 92 7.078 7.597 -0.519 1
1 1075 . 20 1 1 A 92 92 VAL HA H 92 4.810 4.262 0.548 1
1 1083 . 20 1 1 A 92 92 VAL C C 92 176.954 175.855 1.099 1
1 1084 . 20 1 1 A 92 92 VAL CA C 92 59.083 61.664 -2.581 1
1 1085 . 20 1 1 A 92 92 VAL CB C 92 35.602 33.168 2.434 1
1 1088 . 20 1 1 A 92 92 VAL N N 92 113.901 118.078 -4.177 1
1 1089 . 20 1 1 A 93 93 CYS H H 93 9.086 8.661 0.425 1
1 1090 . 20 1 1 A 93 93 CYS HA H 93 4.118 4.756 -0.638 1
1 1093 . 20 1 1 A 93 93 CYS C C 93 173.477 176.337 -2.860 1
1 1094 . 20 1 1 A 93 93 CYS CA C 93 60.511 60.343 0.168 1
1 1095 . 20 1 1 A 93 93 CYS CB C 93 31.124 29.067 2.057 1
1 1096 . 20 1 1 A 93 93 CYS N N 93 126.248 122.909 3.339 1
1 1097 . 20 1 1 A 94 94 GLU H H 94 5.667 9.031 -3.364 1
1 1098 . 20 1 1 A 94 94 GLU HA H 94 4.073 3.988 0.085 1
1 1103 . 20 1 1 A 94 94 GLU C C 94 176.973 178.422 -1.449 1
1 1104 . 20 1 1 A 94 94 GLU CA C 94 57.434 59.553 -2.119 1
1 1105 . 20 1 1 A 94 94 GLU CB C 94 28.813 29.139 -0.326 1
1 1107 . 20 1 1 A 94 94 GLU N N 94 126.541 127.738 -1.197 1
1 1108 . 20 1 1 A 95 95 LYS H H 95 9.002 7.244 1.758 1
1 1109 . 20 1 1 A 95 95 LYS HA H 95 4.076 4.203 -0.127 1
1 1118 . 20 1 1 A 95 95 LYS C C 95 174.890 176.910 -2.020 1
1 1119 . 20 1 1 A 95 95 LYS CA C 95 57.782 58.457 -0.675 1
1 1120 . 20 1 1 A 95 95 LYS CB C 95 34.056 33.225 0.831 1
1 1124 . 20 1 1 A 95 95 LYS N N 95 123.753 118.529 5.224 1
1 1125 . 20 1 1 A 96 96 CYS H H 96 9.063 7.658 1.405 1
1 1126 . 20 1 1 A 96 96 CYS HA H 96 4.755 4.928 -0.173 1
1 1129 . 20 1 1 A 96 96 CYS C C 96 174.775 173.947 0.828 1
1 1130 . 20 1 1 A 96 96 CYS CA C 96 58.756 57.721 1.035 1
1 1131 . 20 1 1 A 96 96 CYS CB C 96 32.066 29.823 2.243 1
1 1132 . 20 1 1 A 96 96 CYS N N 96 120.699 115.182 5.517 1
1 1133 . 20 1 1 A 97 97 HIS H H 97 7.541 8.766 -1.225 1
1 1134 . 20 1 1 A 97 97 HIS HA H 97 4.474 4.483 -0.009 1
1 1139 . 20 1 1 A 97 97 HIS C C 97 178.193 174.019 4.174 1
1 1140 . 20 1 1 A 97 97 HIS CA C 97 57.481 55.923 1.558 1
1 1141 . 20 1 1 A 97 97 HIS CB C 97 27.126 29.001 -1.875 1
1 1144 . 20 1 1 A 97 97 HIS N N 97 116.676 121.647 -4.971 1
1 1147 . 20 1 1 A 98 98 SER H H 98 8.775 8.101 0.674 1
1 1148 . 20 1 1 A 98 98 SER HA H 98 4.322 5.071 -0.749 1
1 1151 . 20 1 1 A 98 98 SER C C 98 176.432 173.529 2.903 1
1 1152 . 20 1 1 A 98 98 SER CA C 98 58.923 57.247 1.676 1
1 1153 . 20 1 1 A 98 98 SER CB C 98 64.790 66.750 -1.960 1
1 1154 . 20 1 1 A 98 98 SER N N 98 116.989 115.137 1.852 1
1 1155 . 20 1 1 A 99 99 LYS H H 99 8.567 8.786 -0.219 1
1 1156 . 20 1 1 A 99 99 LYS HA H 99 4.935 4.628 0.307 1
1 1165 . 20 1 1 A 99 99 LYS C C 99 173.648 177.245 -3.597 1
1 1166 . 20 1 1 A 99 99 LYS CA C 99 56.417 56.313 0.104 1
1 1167 . 20 1 1 A 99 99 LYS CB C 99 32.366 32.139 0.227 1
1 1171 . 20 1 1 A 99 99 LYS N N 99 122.510 124.115 -1.605 1
1 1172 . 20 1 1 A 100 100 ASN H H 100 9.426 8.389 1.037 1
1 1173 . 20 1 1 A 100 100 ASN HA H 100 4.916 4.574 0.342 1
1 1178 . 20 1 1 A 100 100 ASN C C 100 178.498 175.489 3.009 1
1 1179 . 20 1 1 A 100 100 ASN CA C 100 51.999 53.858 -1.859 1
1 1180 . 20 1 1 A 100 100 ASN CB C 100 36.539 37.545 -1.006 1
1 1181 . 20 1 1 A 100 100 ASN N N 100 124.489 117.660 6.829 1
1 1183 . 20 1 1 A 101 101 VAL H H 101 7.627 7.446 0.181 1
1 1184 . 20 1 1 A 101 101 VAL HA H 101 5.329 4.123 1.206 1
1 1192 . 20 1 1 A 101 101 VAL C C 101 175.484 175.852 -0.368 1
1 1193 . 20 1 1 A 101 101 VAL CA C 101 58.253 62.051 -3.798 1
1 1194 . 20 1 1 A 101 101 VAL CB C 101 34.692 32.362 2.330 1
1 1197 . 20 1 1 A 101 101 VAL N N 101 112.585 119.248 -6.663 1
1 1198 . 20 1 1 A 102 102 ILE H H 102 9.032 8.855 0.177 1
1 1199 . 20 1 1 A 102 102 ILE HA H 102 4.671 4.800 -0.129 1
1 1209 . 20 1 1 A 102 102 ILE C C 102 177.283 174.470 2.813 1
1 1210 . 20 1 1 A 102 102 ILE CA C 102 58.979 58.563 0.416 1
1 1211 . 20 1 1 A 102 102 ILE CB C 102 41.970 41.872 0.098 1
1 1215 . 20 1 1 A 102 102 ILE N N 102 119.819 119.281 0.538 1
1 1216 . 20 1 1 A 103 103 ILE H H 103 8.364 8.929 -0.565 1
1 1217 . 20 1 1 A 103 103 ILE HA H 103 4.527 4.234 0.293 1
1 1227 . 20 1 1 A 103 103 ILE C C 103 174.186 176.363 -2.177 1
1 1228 . 20 1 1 A 103 103 ILE CA C 103 61.366 61.283 0.083 1
1 1229 . 20 1 1 A 103 103 ILE CB C 103 38.577 36.883 1.694 1
1 1233 . 20 1 1 A 103 103 ILE N N 103 123.325 125.037 -1.712 1
1 1234 . 20 1 1 A 104 104 THR H H 104 8.796 8.852 -0.056 1
1 1235 . 20 1 1 A 104 104 THR HA H 104 4.260 4.361 -0.101 1
1 1240 . 20 1 1 A 104 104 THR C C 104 176.317 173.858 2.459 1
1 1241 . 20 1 1 A 104 104 THR CA C 104 62.708 63.335 -0.627 1
1 1242 . 20 1 1 A 104 104 THR CB C 104 68.431 69.660 -1.229 1
1 1244 . 20 1 1 A 104 104 THR N N 104 120.825 123.108 -2.283 1
1 1245 . 20 1 1 A 105 105 GLN H H 105 7.705 7.777 -0.072 1
1 1246 . 20 1 1 A 105 105 GLN HA H 105 4.482 4.570 -0.088 1
1 1253 . 20 1 1 A 105 105 GLN C C 105 177.316 175.245 2.071 1
1 1254 . 20 1 1 A 105 105 GLN CA C 105 55.621 55.526 0.095 1
1 1255 . 20 1 1 A 105 105 GLN CB C 105 31.897 31.590 0.307 1
1 1257 . 20 1 1 A 105 105 GLN N N 105 118.599 120.123 -1.524 1
1 1259 . 20 1 1 A 106 106 GLY H H 106 9.091 8.842 0.249 1
1 1260 . 20 1 1 A 106 106 GLY HA2 H 106 3.472 3.967 -0.495 1
1 1261 . 20 1 1 A 106 106 GLY HA3 H 106 4.255 3.972 0.283 1
1 1262 . 20 1 1 A 106 106 GLY C C 106 178.226 175.111 3.115 1
1 1263 . 20 1 1 A 106 106 GLY CA C 106 45.497 45.996 -0.499 1
1 1264 . 20 1 1 A 106 106 GLY N N 106 106.938 115.051 -8.113 1
1 1265 . 20 1 1 A 107 107 ASN H H 107 8.542 7.931 0.611 1
1 1266 . 20 1 1 A 107 107 ASN HA H 107 4.670 4.476 0.194 1
1 1271 . 20 1 1 A 107 107 ASN C C 107 176.917 175.116 1.801 1
1 1272 . 20 1 1 A 107 107 ASN CA C 107 52.697 55.257 -2.560 1
1 1273 . 20 1 1 A 107 107 ASN CB C 107 39.745 39.610 0.135 1
1 1274 . 20 1 1 A 107 107 ASN N N 107 117.838 119.988 -2.150 1
1 1276 . 20 1 1 A 108 108 GLU H H 108 8.050 7.679 0.371 1
1 1277 . 20 1 1 A 108 108 GLU HA H 108 4.638 4.602 0.036 1
1 1282 . 20 1 1 A 108 108 GLU C C 108 176.463 175.165 1.298 1
1 1283 . 20 1 1 A 108 108 GLU CA C 108 55.693 54.992 0.701 1
1 1284 . 20 1 1 A 108 108 GLU CB C 108 32.643 32.470 0.173 1
1 1286 . 20 1 1 A 108 108 GLU N N 108 118.542 115.092 3.450 1
1 1287 . 20 1 1 A 109 109 MET H H 109 8.431 8.495 -0.064 1
1 1288 . 20 1 1 A 109 109 MET HA H 109 5.236 4.865 0.371 1
1 1296 . 20 1 1 A 109 109 MET C C 109 176.443 175.535 0.908 1
1 1297 . 20 1 1 A 109 109 MET CA C 109 54.801 54.430 0.371 1
1 1298 . 20 1 1 A 109 109 MET CB C 109 33.115 33.867 -0.752 1
1 1301 . 20 1 1 A 109 109 MET N N 109 121.401 118.853 2.548 1
1 1302 . 20 1 1 A 110 110 ARG H H 110 9.166 8.961 0.205 1
1 1303 . 20 1 1 A 110 110 ARG HA H 110 4.771 4.996 -0.225 1
1 1311 . 20 1 1 A 110 110 ARG C C 110 177.215 174.895 2.320 1
1 1312 . 20 1 1 A 110 110 ARG CA C 110 54.826 54.482 0.344 1
1 1313 . 20 1 1 A 110 110 ARG CB C 110 33.474 33.819 -0.345 1
1 1316 . 20 1 1 A 110 110 ARG N N 110 123.271 118.132 5.139 1
1 1318 . 20 1 1 A 111 111 LEU H H 111 8.874 8.506 0.368 1
1 1319 . 20 1 1 A 111 111 LEU HA H 111 4.335 4.427 -0.092 1
1 1329 . 20 1 1 A 111 111 LEU C C 111 175.976 176.575 -0.599 1
1 1330 . 20 1 1 A 111 111 LEU CA C 111 55.633 54.501 1.132 1
1 1331 . 20 1 1 A 111 111 LEU CB C 111 42.413 43.283 -0.870 1
1 1335 . 20 1 1 A 111 111 LEU N N 111 125.212 119.038 6.174 1
1 1336 . 20 1 1 A 112 112 LEU HA H 112 4.432 4.485 -0.053 1
1 1346 . 20 1 1 A 112 112 LEU C C 112 173.898 176.524 -2.626 1
1 1347 . 20 1 1 A 112 112 LEU CA C 112 56.230 55.906 0.324 1
1 1348 . 20 1 1 A 112 112 LEU CB C 112 42.688 43.397 -0.709 1
1 1352 . 20 1 1 A 113 113 SER H H 113 7.895 7.749 0.146 1
1 1353 . 20 1 1 A 113 113 SER HA H 113 4.509 4.923 -0.414 1
1 1356 . 20 1 1 A 113 113 SER C C 113 180.240 172.479 7.761 1
1 1357 . 20 1 1 A 113 113 SER CA C 113 58.129 57.534 0.595 1
1 1358 . 20 1 1 A 113 113 SER CB C 113 64.473 67.772 -3.299 1
1 1359 . 20 1 1 A 113 113 SER N N 113 110.894 110.556 0.338 1
1 1360 . 20 1 1 A 114 114 LEU H H 114 8.151 8.664 -0.513 1
1 1361 . 20 1 1 A 114 114 LEU HA H 114 5.086 4.909 0.177 1
1 1371 . 20 1 1 A 114 114 LEU C C 114 175.777 175.946 -0.169 1
1 1372 . 20 1 1 A 114 114 LEU CA C 114 53.830 54.445 -0.615 1
1 1373 . 20 1 1 A 114 114 LEU CB C 114 46.471 44.184 2.287 1
1 1377 . 20 1 1 A 114 114 LEU N N 114 120.671 122.061 -1.390 1
1 1378 . 20 1 1 A 115 115 GLU H H 115 8.666 9.162 -0.496 1
1 1379 . 20 1 1 A 115 115 GLU HA H 115 4.823 4.523 0.300 1
1 1384 . 20 1 1 A 115 115 GLU C C 115 175.727 176.646 -0.919 1
1 1385 . 20 1 1 A 115 115 GLU CA C 115 55.127 56.783 -1.656 1
1 1386 . 20 1 1 A 115 115 GLU CB C 115 31.063 30.224 0.839 1
1 1388 . 20 1 1 A 115 115 GLU N N 115 122.105 124.624 -2.519 1
1 1389 . 20 1 1 A 116 116 MET H H 116 9.159 8.835 0.324 1
1 1390 . 20 1 1 A 116 116 MET HA H 116 4.989 5.072 -0.083 1
1 1398 . 20 1 1 A 116 116 MET C C 116 177.447 174.806 2.641 1
1 1399 . 20 1 1 A 116 116 MET CA C 116 54.669 54.258 0.411 1
1 1400 . 20 1 1 A 116 116 MET CB C 116 36.107 37.044 -0.937 1
1 1403 . 20 1 1 A 116 116 MET N N 116 123.947 122.060 1.887 1
1 1404 . 20 1 1 A 117 117 LEU H H 117 8.573 8.755 -0.182 1
1 1405 . 20 1 1 A 117 117 LEU HA H 117 4.670 4.363 0.307 1
1 1412 . 20 1 1 A 117 117 LEU C C 117 175.990 176.816 -0.826 1
1 1413 . 20 1 1 A 117 117 LEU CA C 117 54.549 54.371 0.178 1
1 1414 . 20 1 1 A 117 117 LEU CB C 117 44.045 40.760 3.285 1
1 1417 . 20 1 1 A 117 117 LEU N N 117 122.478 123.392 -0.914 1
1 1418 . 20 1 1 A 118 118 ALA H H 118 8.714 8.365 0.349 1
1 1419 . 20 1 1 A 118 118 ALA HA H 118 4.604 4.122 0.482 1
1 1423 . 20 1 1 A 118 118 ALA C C 118 175.279 179.293 -4.014 1
1 1424 . 20 1 1 A 118 118 ALA CA C 118 52.155 54.739 -2.584 1
1 1425 . 20 1 1 A 118 118 ALA CB C 118 20.444 18.629 1.815 1
1 1426 . 20 1 1 A 118 118 ALA N N 118 127.701 128.170 -0.469 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 114 3.605 1
2 1 1 1 "RMS(OBS, PRED)" CA 115 1.481 1
3 1 1 1 "RMS(OBS, PRED)" CB 111 1.377 1
4 1 1 1 "RMS(OBS, PRED)" H 110 0.682 1
5 1 1 1 "RMS(OBS, PRED)" HA 118 0.343 1
6 1 1 1 "RMS(OBS, PRED)" N 110 3.221 1
7 1 2 1 "RMS(OBS, PRED)" C 114 3.629 1
8 1 2 1 "RMS(OBS, PRED)" CA 115 1.488 1
9 1 2 1 "RMS(OBS, PRED)" CB 111 1.410 1
10 1 2 1 "RMS(OBS, PRED)" H 110 0.664 1
11 1 2 1 "RMS(OBS, PRED)" HA 118 0.348 1
12 1 2 1 "RMS(OBS, PRED)" N 110 3.125 1
13 1 3 1 "RMS(OBS, PRED)" C 114 3.571 1
14 1 3 1 "RMS(OBS, PRED)" CA 115 1.442 1
15 1 3 1 "RMS(OBS, PRED)" CB 111 1.460 1
16 1 3 1 "RMS(OBS, PRED)" H 110 0.688 1
17 1 3 1 "RMS(OBS, PRED)" HA 118 0.349 1
18 1 3 1 "RMS(OBS, PRED)" N 110 3.164 1
19 1 4 1 "RMS(OBS, PRED)" C 114 3.566 1
20 1 4 1 "RMS(OBS, PRED)" CA 115 1.429 1
21 1 4 1 "RMS(OBS, PRED)" CB 111 1.449 1
22 1 4 1 "RMS(OBS, PRED)" H 110 0.647 1
23 1 4 1 "RMS(OBS, PRED)" HA 118 0.330 1
24 1 4 1 "RMS(OBS, PRED)" N 110 3.396 1
25 1 5 1 "RMS(OBS, PRED)" C 114 3.603 1
26 1 5 1 "RMS(OBS, PRED)" CA 115 1.437 1
27 1 5 1 "RMS(OBS, PRED)" CB 111 1.423 1
28 1 5 1 "RMS(OBS, PRED)" H 110 0.697 1
29 1 5 1 "RMS(OBS, PRED)" HA 118 0.348 1
30 1 5 1 "RMS(OBS, PRED)" N 110 2.965 1
31 1 6 1 "RMS(OBS, PRED)" C 114 3.586 1
32 1 6 1 "RMS(OBS, PRED)" CA 115 1.488 1
33 1 6 1 "RMS(OBS, PRED)" CB 111 1.460 1
34 1 6 1 "RMS(OBS, PRED)" H 110 0.708 1
35 1 6 1 "RMS(OBS, PRED)" HA 118 0.366 1
36 1 6 1 "RMS(OBS, PRED)" N 110 2.994 1
37 1 7 1 "RMS(OBS, PRED)" C 114 3.594 1
38 1 7 1 "RMS(OBS, PRED)" CA 115 1.465 1
39 1 7 1 "RMS(OBS, PRED)" CB 111 1.507 1
40 1 7 1 "RMS(OBS, PRED)" H 110 0.665 1
41 1 7 1 "RMS(OBS, PRED)" HA 118 0.341 1
42 1 7 1 "RMS(OBS, PRED)" N 110 3.174 1
43 1 8 1 "RMS(OBS, PRED)" C 114 3.575 1
44 1 8 1 "RMS(OBS, PRED)" CA 115 1.449 1
45 1 8 1 "RMS(OBS, PRED)" CB 111 1.443 1
46 1 8 1 "RMS(OBS, PRED)" H 110 0.671 1
47 1 8 1 "RMS(OBS, PRED)" HA 118 0.344 1
48 1 8 1 "RMS(OBS, PRED)" N 110 3.212 1
49 1 9 1 "RMS(OBS, PRED)" C 114 3.562 1
50 1 9 1 "RMS(OBS, PRED)" CA 115 1.402 1
51 1 9 1 "RMS(OBS, PRED)" CB 111 1.414 1
52 1 9 1 "RMS(OBS, PRED)" H 110 0.713 1
53 1 9 1 "RMS(OBS, PRED)" HA 118 0.363 1
54 1 9 1 "RMS(OBS, PRED)" N 110 3.068 1
55 1 10 1 "RMS(OBS, PRED)" C 114 3.635 1
56 1 10 1 "RMS(OBS, PRED)" CA 115 1.565 1
57 1 10 1 "RMS(OBS, PRED)" CB 111 1.418 1
58 1 10 1 "RMS(OBS, PRED)" H 110 0.687 1
59 1 10 1 "RMS(OBS, PRED)" HA 118 0.354 1
60 1 10 1 "RMS(OBS, PRED)" N 110 3.110 1
61 1 11 1 "RMS(OBS, PRED)" C 114 3.598 1
62 1 11 1 "RMS(OBS, PRED)" CA 115 1.501 1
63 1 11 1 "RMS(OBS, PRED)" CB 111 1.446 1
64 1 11 1 "RMS(OBS, PRED)" H 110 0.657 1
65 1 11 1 "RMS(OBS, PRED)" HA 118 0.362 1
66 1 11 1 "RMS(OBS, PRED)" N 110 3.228 1
67 1 12 1 "RMS(OBS, PRED)" C 114 3.555 1
68 1 12 1 "RMS(OBS, PRED)" CA 115 1.475 1
69 1 12 1 "RMS(OBS, PRED)" CB 111 1.457 1
70 1 12 1 "RMS(OBS, PRED)" H 110 0.686 1
71 1 12 1 "RMS(OBS, PRED)" HA 118 0.384 1
72 1 12 1 "RMS(OBS, PRED)" N 110 3.179 1
73 1 13 1 "RMS(OBS, PRED)" C 114 3.554 1
74 1 13 1 "RMS(OBS, PRED)" CA 115 1.439 1
75 1 13 1 "RMS(OBS, PRED)" CB 111 1.447 1
76 1 13 1 "RMS(OBS, PRED)" H 110 0.683 1
77 1 13 1 "RMS(OBS, PRED)" HA 118 0.353 1
78 1 13 1 "RMS(OBS, PRED)" N 110 3.410 1
79 1 14 1 "RMS(OBS, PRED)" C 114 3.606 1
80 1 14 1 "RMS(OBS, PRED)" CA 115 1.517 1
81 1 14 1 "RMS(OBS, PRED)" CB 111 1.449 1
82 1 14 1 "RMS(OBS, PRED)" H 110 0.681 1
83 1 14 1 "RMS(OBS, PRED)" HA 118 0.361 1
84 1 14 1 "RMS(OBS, PRED)" N 110 3.224 1
85 1 15 1 "RMS(OBS, PRED)" C 114 3.547 1
86 1 15 1 "RMS(OBS, PRED)" CA 115 1.532 1
87 1 15 1 "RMS(OBS, PRED)" CB 111 1.517 1
88 1 15 1 "RMS(OBS, PRED)" H 110 0.696 1
89 1 15 1 "RMS(OBS, PRED)" HA 118 0.348 1
90 1 15 1 "RMS(OBS, PRED)" N 110 3.132 1
91 1 16 1 "RMS(OBS, PRED)" C 114 3.560 1
92 1 16 1 "RMS(OBS, PRED)" CA 115 1.543 1
93 1 16 1 "RMS(OBS, PRED)" CB 111 1.494 1
94 1 16 1 "RMS(OBS, PRED)" H 110 0.675 1
95 1 16 1 "RMS(OBS, PRED)" HA 118 0.363 1
96 1 16 1 "RMS(OBS, PRED)" N 110 3.134 1
97 1 17 1 "RMS(OBS, PRED)" C 114 3.545 1
98 1 17 1 "RMS(OBS, PRED)" CA 115 1.478 1
99 1 17 1 "RMS(OBS, PRED)" CB 111 1.467 1
100 1 17 1 "RMS(OBS, PRED)" H 110 0.670 1
101 1 17 1 "RMS(OBS, PRED)" HA 118 0.346 1
102 1 17 1 "RMS(OBS, PRED)" N 110 3.034 1
103 1 18 1 "RMS(OBS, PRED)" C 114 3.560 1
104 1 18 1 "RMS(OBS, PRED)" CA 115 1.480 1
105 1 18 1 "RMS(OBS, PRED)" CB 111 1.432 1
106 1 18 1 "RMS(OBS, PRED)" H 110 0.674 1
107 1 18 1 "RMS(OBS, PRED)" HA 118 0.353 1
108 1 18 1 "RMS(OBS, PRED)" N 110 3.206 1
109 1 19 1 "RMS(OBS, PRED)" C 114 3.565 1
110 1 19 1 "RMS(OBS, PRED)" CA 115 1.411 1
111 1 19 1 "RMS(OBS, PRED)" CB 111 1.429 1
112 1 19 1 "RMS(OBS, PRED)" H 110 0.700 1
113 1 19 1 "RMS(OBS, PRED)" HA 118 0.357 1
114 1 19 1 "RMS(OBS, PRED)" N 110 3.195 1
115 1 20 1 "RMS(OBS, PRED)" C 114 3.578 1
116 1 20 1 "RMS(OBS, PRED)" CA 115 1.434 1
117 1 20 1 "RMS(OBS, PRED)" CB 111 1.523 1
118 1 20 1 "RMS(OBS, PRED)" H 110 0.677 1
119 1 20 1 "RMS(OBS, PRED)" HA 118 0.343 1
120 1 20 1 "RMS(OBS, PRED)" N 110 3.071 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 4 . 1 1 A 2 2 SER HA H 2 4.544 4.750 -0.206 2
1 7 . 1 1 A 2 2 SER CA C 2 58.424 58.373 0.051 2
1 8 . 1 1 A 2 2 SER CB C 2 64.017 63.899 0.118 2
1 13 . 1 1 A 4 4 HIS HA H 4 4.504 4.380 0.124 2
1 17 . 1 1 A 4 4 HIS C C 4 175.043 176.805 -1.762 2
1 18 . 1 1 A 4 4 HIS CA C 4 58.574 58.682 -0.108 2
1 19 . 1 1 A 4 4 HIS CB C 4 30.859 30.421 0.438 2
1 20 . 1 1 A 5 5 GLU H H 5 10.002 8.499 1.503 2
1 21 . 1 1 A 5 5 GLU HA H 5 3.831 3.930 -0.099 2
1 26 . 1 1 A 5 5 GLU C C 5 173.758 177.278 -3.520 2
1 27 . 1 1 A 5 5 GLU CA C 5 61.822 58.791 3.031 2
1 28 . 1 1 A 5 5 GLU CB C 5 28.884 28.819 0.065 2
1 30 . 1 1 A 5 5 GLU N N 5 120.850 118.157 2.693 2
1 31 . 1 1 A 6 6 TYR H H 6 8.163 7.552 0.611 2
1 32 . 1 1 A 6 6 TYR HA H 6 4.066 4.550 -0.484 2
1 39 . 1 1 A 6 6 TYR C C 6 173.754 176.912 -3.158 2
1 40 . 1 1 A 6 6 TYR CA C 6 61.029 58.948 2.081 2
1 41 . 1 1 A 6 6 TYR CB C 6 37.391 38.200 -0.809 2
1 44 . 1 1 A 6 6 TYR N N 6 117.171 118.639 -1.468 2
1 45 . 1 1 A 7 7 SER H H 7 7.929 8.045 -0.116 2
1 46 . 1 1 A 7 7 SER HA H 7 4.265 4.124 0.141 2
1 49 . 1 1 A 7 7 SER C C 7 174.434 177.219 -2.785 2
1 50 . 1 1 A 7 7 SER CA C 7 61.471 61.721 -0.250 2
1 51 . 1 1 A 7 7 SER CB C 7 62.686 62.955 -0.269 2
1 52 . 1 1 A 7 7 SER N N 7 116.417 116.694 -0.277 2
1 53 . 1 1 A 8 8 VAL H H 8 8.088 8.001 0.088 2
1 54 . 1 1 A 8 8 VAL HA H 8 3.795 3.739 0.057 2
1 62 . 1 1 A 8 8 VAL C C 8 172.652 178.213 -5.561 2
1 63 . 1 1 A 8 8 VAL CA C 8 66.036 66.365 -0.329 2
1 64 . 1 1 A 8 8 VAL CB C 8 31.811 31.534 0.277 2
1 67 . 1 1 A 8 8 VAL N N 8 122.514 120.529 1.985 2
1 68 . 1 1 A 9 9 VAL H H 9 8.255 8.320 -0.065 2
1 69 . 1 1 A 9 9 VAL HA H 9 3.539 3.682 -0.143 2
1 77 . 1 1 A 9 9 VAL C C 9 174.142 178.048 -3.906 2
1 78 . 1 1 A 9 9 VAL CA C 9 67.201 67.043 0.158 2
1 79 . 1 1 A 9 9 VAL CB C 9 30.859 31.613 -0.754 2
1 82 . 1 1 A 9 9 VAL N N 9 120.829 121.207 -0.378 2
1 83 . 1 1 A 10 10 SER H H 10 8.179 8.279 -0.100 2
1 84 . 1 1 A 10 10 SER HA H 10 3.726 3.960 -0.234 2
1 87 . 1 1 A 10 10 SER C C 10 173.669 177.263 -3.594 2
1 88 . 1 1 A 10 10 SER CA C 10 62.397 61.596 0.801 2
1 89 . 1 1 A 10 10 SER CB C 10 62.470 62.813 -0.343 2
1 90 . 1 1 A 10 10 SER N N 10 115.937 115.386 0.551 2
1 91 . 1 1 A 11 11 SER H H 11 7.860 8.007 -0.147 2
1 92 . 1 1 A 11 11 SER HA H 11 4.312 4.155 0.157 2
1 95 . 1 1 A 11 11 SER C C 11 174.888 177.144 -2.256 2
1 96 . 1 1 A 11 11 SER CA C 11 61.863 61.857 0.006 2
1 97 . 1 1 A 11 11 SER CB C 11 62.638 63.118 -0.480 2
1 98 . 1 1 A 11 11 SER N N 11 117.940 116.058 1.882 2
1 99 . 1 1 A 12 12 LEU H H 12 8.197 8.356 -0.159 2
1 100 . 1 1 A 12 12 LEU HA H 12 4.331 4.039 0.292 2
1 110 . 1 1 A 12 12 LEU C C 12 172.791 178.980 -6.188 2
1 111 . 1 1 A 12 12 LEU CA C 12 58.035 58.390 -0.355 2
1 112 . 1 1 A 12 12 LEU CB C 12 42.062 42.085 -0.023 2
1 116 . 1 1 A 12 12 LEU N N 12 125.411 121.780 3.631 2
1 117 . 1 1 A 13 13 ILE H H 13 8.689 8.207 0.482 2
1 118 . 1 1 A 13 13 ILE HA H 13 3.654 3.705 -0.051 2
1 128 . 1 1 A 13 13 ILE C C 13 173.945 177.906 -3.961 2
1 129 . 1 1 A 13 13 ILE CA C 13 65.287 65.949 -0.662 2
1 130 . 1 1 A 13 13 ILE CB C 13 36.843 37.777 -0.934 2
1 134 . 1 1 A 13 13 ILE N N 13 121.352 119.339 2.013 2
1 135 . 1 1 A 14 14 ALA H H 14 7.692 8.339 -0.647 2
1 136 . 1 1 A 14 14 ALA HA H 14 4.218 4.078 0.140 2
1 140 . 1 1 A 14 14 ALA C C 14 170.805 179.953 -9.148 2
1 141 . 1 1 A 14 14 ALA CA C 14 55.484 55.308 0.176 2
1 142 . 1 1 A 14 14 ALA CB C 14 17.698 18.199 -0.501 2
1 143 . 1 1 A 14 14 ALA N N 14 121.374 122.790 -1.416 2
1 144 . 1 1 A 15 15 LEU H H 15 8.040 8.299 -0.259 2
1 145 . 1 1 A 15 15 LEU HA H 15 4.253 3.806 0.447 2
1 152 . 1 1 A 15 15 LEU C C 15 171.818 178.738 -6.920 2
1 153 . 1 1 A 15 15 LEU CA C 15 58.208 57.943 0.265 2
1 154 . 1 1 A 15 15 LEU CB C 15 42.286 41.670 0.616 2
1 157 . 1 1 A 15 15 LEU N N 15 121.328 118.611 2.717 2
1 158 . 1 1 A 16 16 CYS H H 16 8.587 8.558 0.029 2
1 159 . 1 1 A 16 16 CYS HA H 16 3.954 4.101 -0.147 2
1 162 . 1 1 A 16 16 CYS C C 16 174.494 176.935 -2.441 2
1 163 . 1 1 A 16 16 CYS CA C 16 64.933 63.219 1.714 2
1 164 . 1 1 A 16 16 CYS CB C 16 26.960 26.797 0.163 2
1 165 . 1 1 A 16 16 CYS N N 16 118.908 117.428 1.480 2
1 166 . 1 1 A 17 17 GLU H H 17 8.576 8.370 0.206 2
1 167 . 1 1 A 17 17 GLU HA H 17 3.806 3.992 -0.186 2
1 172 . 1 1 A 17 17 GLU C C 17 172.225 178.808 -6.583 2
1 173 . 1 1 A 17 17 GLU CA C 17 60.306 59.801 0.505 2
1 174 . 1 1 A 17 17 GLU CB C 17 29.130 29.098 0.032 2
1 176 . 1 1 A 17 17 GLU N N 17 118.419 121.245 -2.826 2
1 177 . 1 1 A 18 18 GLU H H 18 8.156 8.191 -0.035 2
1 178 . 1 1 A 18 18 GLU HA H 18 4.115 4.011 0.104 2
1 183 . 1 1 A 18 18 GLU C C 18 172.241 179.263 -7.022 2
1 184 . 1 1 A 18 18 GLU CA C 18 59.507 59.400 0.107 2
1 185 . 1 1 A 18 18 GLU CB C 18 29.335 29.357 -0.022 2
1 187 . 1 1 A 18 18 GLU N N 18 121.603 119.261 2.342 2
1 188 . 1 1 A 19 19 HIS H H 19 8.379 8.000 0.379 2
1 189 . 1 1 A 19 19 HIS HA H 19 4.174 4.378 -0.204 2
1 194 . 1 1 A 19 19 HIS C C 19 172.511 177.755 -5.244 2
1 195 . 1 1 A 19 19 HIS CA C 19 60.525 59.566 0.959 2
1 196 . 1 1 A 19 19 HIS CB C 19 31.354 29.733 1.621 2
1 198 . 1 1 A 19 19 HIS N N 19 119.634 118.895 0.739 2
1 201 . 1 1 A 20 20 ALA H H 20 8.568 8.340 0.228 2
1 202 . 1 1 A 20 20 ALA HA H 20 4.143 3.910 0.233 2
1 206 . 1 1 A 20 20 ALA C C 20 172.155 179.331 -7.176 2
1 207 . 1 1 A 20 20 ALA CA C 20 55.716 55.281 0.435 2
1 208 . 1 1 A 20 20 ALA CB C 20 17.682 18.296 -0.614 2
1 209 . 1 1 A 20 20 ALA N N 20 122.453 122.426 0.027 2
1 210 . 1 1 A 21 21 LYS H H 21 8.055 7.881 0.174 2
1 211 . 1 1 A 21 21 LYS HA H 21 4.128 3.807 0.321 2
1 220 . 1 1 A 21 21 LYS C C 21 170.753 178.716 -7.963 2
1 221 . 1 1 A 21 21 LYS CA C 21 59.469 59.099 0.370 2
1 222 . 1 1 A 21 21 LYS CB C 21 32.369 31.893 0.476 2
1 226 . 1 1 A 21 21 LYS N N 21 118.604 116.398 2.206 2
1 227 . 1 1 A 22 22 LYS H H 22 8.092 7.620 0.472 2
1 228 . 1 1 A 22 22 LYS HA H 22 4.100 4.042 0.058 2
1 237 . 1 1 A 22 22 LYS C C 22 174.300 178.142 -3.842 2
1 238 . 1 1 A 22 22 LYS CA C 22 58.920 59.338 -0.418 2
1 239 . 1 1 A 22 22 LYS CB C 22 32.406 32.333 0.073 2
1 243 . 1 1 A 22 22 LYS N N 22 119.468 119.663 -0.195 2
1 244 . 1 1 A 23 23 ASN H H 23 7.461 7.931 -0.470 2
1 245 . 1 1 A 23 23 ASN HA H 23 4.710 4.789 -0.079 2
1 248 . 1 1 A 23 23 ASN C C 23 178.526 174.777 3.749 2
1 249 . 1 1 A 23 23 ASN CA C 23 53.514 53.359 0.155 2
1 250 . 1 1 A 23 23 ASN CB C 23 40.124 38.942 1.182 2
1 251 . 1 1 A 23 23 ASN N N 23 115.166 116.996 -1.830 2
1 252 . 1 1 A 24 24 GLN H H 24 7.879 7.879 0.000 2
1 253 . 1 1 A 24 24 GLN HA H 24 3.927 3.802 0.125 2
1 260 . 1 1 A 24 24 GLN C C 24 177.284 175.473 1.811 2
1 261 . 1 1 A 24 24 GLN CA C 24 57.083 56.801 0.282 2
1 262 . 1 1 A 24 24 GLN CB C 24 26.400 25.996 0.404 2
1 264 . 1 1 A 24 24 GLN N N 24 116.046 116.424 -0.378 2
1 266 . 1 1 A 25 25 ALA H H 25 8.491 8.201 0.290 2
1 267 . 1 1 A 25 25 ALA HA H 25 4.600 4.212 0.388 2
1 271 . 1 1 A 25 25 ALA C C 25 174.729 177.956 -3.227 2
1 272 . 1 1 A 25 25 ALA CA C 25 51.416 54.310 -2.894 2
1 273 . 1 1 A 25 25 ALA CB C 25 21.350 19.456 1.894 2
1 274 . 1 1 A 25 25 ALA N N 25 120.372 120.632 -0.260 2
1 275 . 1 1 A 26 26 HIS H H 26 8.476 7.693 0.783 2
1 276 . 1 1 A 26 26 HIS HA H 26 4.736 4.195 0.541 2
1 280 . 1 1 A 26 26 HIS C C 26 176.751 173.761 2.990 2
1 281 . 1 1 A 26 26 HIS CA C 26 56.211 57.252 -1.041 2
1 282 . 1 1 A 26 26 HIS CB C 26 31.838 27.243 4.595 2
1 284 . 1 1 A 26 26 HIS N N 26 117.648 112.616 5.032 2
1 285 . 1 1 A 27 27 LYS H H 27 7.540 7.505 0.035 2
1 286 . 1 1 A 27 27 LYS HA H 27 4.766 4.730 0.036 2
1 295 . 1 1 A 27 27 LYS C C 27 176.918 174.348 2.570 2
1 296 . 1 1 A 27 27 LYS CA C 27 55.877 55.039 0.838 2
1 297 . 1 1 A 27 27 LYS CB C 27 36.796 36.010 0.786 2
1 301 . 1 1 A 27 27 LYS N N 27 116.451 116.060 0.391 2
1 302 . 1 1 A 28 28 ILE H H 28 8.320 8.714 -0.394 2
1 303 . 1 1 A 28 28 ILE HA H 28 4.319 4.911 -0.592 2
1 310 . 1 1 A 28 28 ILE C C 28 176.921 175.874 1.047 2
1 311 . 1 1 A 28 28 ILE CA C 28 60.552 59.708 0.844 2
1 312 . 1 1 A 28 28 ILE CB C 28 38.843 41.147 -2.304 2
1 313 . 1 1 A 28 28 ILE N N 28 123.140 121.772 1.368 2
1 314 . 1 1 A 29 29 GLU H H 29 9.001 9.405 -0.404 2
1 315 . 1 1 A 29 29 GLU HA H 29 4.446 4.429 0.017 2
1 320 . 1 1 A 29 29 GLU C C 29 174.406 175.713 -1.307 2
1 321 . 1 1 A 29 29 GLU CA C 29 57.363 58.060 -0.697 2
1 322 . 1 1 A 29 29 GLU CB C 29 31.761 31.318 0.443 2
1 324 . 1 1 A 29 29 GLU N N 29 125.872 126.067 -0.195 2
1 325 . 1 1 A 30 30 ARG H H 30 7.654 7.596 0.058 2
1 326 . 1 1 A 30 30 ARG HA H 30 5.282 4.978 0.304 2
1 334 . 1 1 A 30 30 ARG C C 30 178.750 174.169 4.581 2
1 335 . 1 1 A 30 30 ARG CA C 30 55.558 55.071 0.487 2
1 336 . 1 1 A 30 30 ARG CB C 30 34.774 33.766 1.008 2
1 338 . 1 1 A 30 30 ARG N N 30 119.436 117.740 1.696 2
1 340 . 1 1 A 31 31 VAL H H 31 9.234 8.849 0.385 2
1 341 . 1 1 A 31 31 VAL HA H 31 4.397 4.715 -0.318 2
1 349 . 1 1 A 31 31 VAL C C 31 178.662 174.465 4.197 2
1 350 . 1 1 A 31 31 VAL CA C 31 60.882 60.814 0.068 2
1 351 . 1 1 A 31 31 VAL CB C 31 34.494 34.011 0.483 2
1 354 . 1 1 A 31 31 VAL N N 31 127.428 121.493 5.935 2
1 355 . 1 1 A 32 32 VAL H H 32 8.626 8.991 -0.365 2
1 356 . 1 1 A 32 32 VAL HA H 32 5.039 4.864 0.175 2
1 364 . 1 1 A 32 32 VAL C C 32 175.519 174.845 0.674 2
1 365 . 1 1 A 32 32 VAL CA C 32 60.917 61.322 -0.404 2
1 366 . 1 1 A 32 32 VAL CB C 32 31.892 33.249 -1.357 2
1 368 . 1 1 A 32 32 VAL N N 32 126.581 126.858 -0.277 2
1 369 . 1 1 A 33 33 VAL H H 33 8.802 9.230 -0.428 2
1 370 . 1 1 A 33 33 VAL HA H 33 4.917 4.679 0.238 2
1 378 . 1 1 A 33 33 VAL C C 33 178.038 174.565 3.474 2
1 379 . 1 1 A 33 33 VAL CA C 33 58.975 60.412 -1.437 2
1 380 . 1 1 A 33 33 VAL CB C 33 35.109 35.272 -0.163 2
1 383 . 1 1 A 33 33 VAL N N 33 122.994 127.653 -4.659 2
1 384 . 1 1 A 34 34 GLY H H 34 9.535 9.194 0.341 2
1 385 . 1 1 A 34 34 GLY HA2 H 34 5.187 4.137 1.050 2
1 386 . 1 1 A 34 34 GLY HA3 H 34 3.404 4.142 -0.738 2
1 387 . 1 1 A 34 34 GLY C C 34 178.060 172.266 5.794 2
1 388 . 1 1 A 34 34 GLY CA C 34 44.108 44.698 -0.590 2
1 389 . 1 1 A 34 34 GLY N N 34 112.269 114.647 -2.378 2
1 390 . 1 1 A 35 35 ILE H H 35 8.761 9.493 -0.732 2
1 391 . 1 1 A 35 35 ILE HA H 35 4.340 4.663 -0.323 2
1 401 . 1 1 A 35 35 ILE C C 35 174.823 176.220 -1.397 2
1 402 . 1 1 A 35 35 ILE CA C 35 60.287 59.519 0.768 2
1 403 . 1 1 A 35 35 ILE CB C 35 39.357 40.617 -1.260 2
1 407 . 1 1 A 35 35 ILE N N 35 123.848 125.762 -1.914 2
1 408 . 1 1 A 36 36 GLY H H 36 8.439 8.540 -0.101 2
1 409 . 1 1 A 36 36 GLY HA2 H 36 3.321 4.094 -0.773 2
1 410 . 1 1 A 36 36 GLY HA3 H 36 4.444 4.098 0.346 2
1 411 . 1 1 A 36 36 GLY C C 36 175.743 174.906 0.837 2
1 412 . 1 1 A 36 36 GLY CA C 36 46.389 45.692 0.697 2
1 413 . 1 1 A 36 36 GLY N N 36 117.219 114.062 3.157 2
1 414 . 1 1 A 37 37 GLU H H 37 8.756 9.000 -0.244 2
1 415 . 1 1 A 37 37 GLU HA H 37 4.277 4.114 0.163 2
1 420 . 1 1 A 37 37 GLU C C 37 174.413 176.808 -2.395 2
1 421 . 1 1 A 37 37 GLU CA C 37 58.568 58.372 0.196 2
1 422 . 1 1 A 37 37 GLU CB C 37 29.809 28.994 0.815 2
1 424 . 1 1 A 37 37 GLU N N 37 124.260 120.844 3.416 2
1 425 . 1 1 A 38 38 ARG H H 38 8.483 7.795 0.688 2
1 426 . 1 1 A 38 38 ARG HA H 38 4.594 4.532 0.062 2
1 434 . 1 1 A 38 38 ARG C C 38 175.250 176.786 -1.536 2
1 435 . 1 1 A 38 38 ARG CA C 38 54.916 55.635 -0.719 2
1 436 . 1 1 A 38 38 ARG CB C 38 29.706 30.760 -1.054 2
1 439 . 1 1 A 38 38 ARG N N 38 117.248 119.835 -2.587 2
1 441 . 1 1 A 39 39 SER H H 39 7.630 7.751 -0.121 2
1 442 . 1 1 A 39 39 SER HA H 39 4.139 4.342 -0.203 2
1 445 . 1 1 A 39 39 SER C C 39 176.694 174.065 2.629 2
1 446 . 1 1 A 39 39 SER CA C 39 59.524 60.290 -0.766 2
1 447 . 1 1 A 39 39 SER CB C 39 64.248 63.429 0.819 2
1 448 . 1 1 A 39 39 SER N N 39 115.086 114.936 0.150 2
1 449 . 1 1 A 40 40 ALA H H 40 8.667 7.941 0.726 2
1 450 . 1 1 A 40 40 ALA HA H 40 4.267 3.991 0.276 2
1 454 . 1 1 A 40 40 ALA C C 40 174.406 176.269 -1.863 2
1 455 . 1 1 A 40 40 ALA CA C 40 52.641 53.682 -1.041 2
1 456 . 1 1 A 40 40 ALA CB C 40 17.976 17.987 -0.011 2
1 457 . 1 1 A 40 40 ALA N N 40 126.133 122.114 4.019 2
1 458 . 1 1 A 41 41 MET H H 41 7.793 7.713 0.080 2
1 459 . 1 1 A 41 41 MET HA H 41 4.389 4.569 -0.180 2
1 467 . 1 1 A 41 41 MET C C 41 176.689 175.295 1.394 2
1 468 . 1 1 A 41 41 MET CA C 41 55.965 54.644 1.321 2
1 469 . 1 1 A 41 41 MET CB C 41 34.761 33.321 1.440 2
1 472 . 1 1 A 41 41 MET N N 41 117.758 116.848 0.910 2
1 473 . 1 1 A 42 42 ASP H H 42 9.667 8.828 0.839 2
1 474 . 1 1 A 42 42 ASP HA H 42 4.706 4.698 0.008 2
1 477 . 1 1 A 42 42 ASP C C 42 174.559 177.416 -2.856 2
1 478 . 1 1 A 42 42 ASP CA C 42 53.363 53.942 -0.579 2
1 479 . 1 1 A 42 42 ASP CB C 42 41.740 40.119 1.621 2
1 480 . 1 1 A 42 42 ASP N N 42 125.565 123.436 2.129 2
1 481 . 1 1 A 43 43 LYS H H 43 8.928 8.409 0.519 2
1 482 . 1 1 A 43 43 LYS HA H 43 3.752 4.157 -0.405 2
1 491 . 1 1 A 43 43 LYS C C 43 173.737 178.608 -4.871 2
1 492 . 1 1 A 43 43 LYS CA C 43 60.966 59.214 1.752 2
1 493 . 1 1 A 43 43 LYS CB C 43 32.585 32.010 0.575 2
1 497 . 1 1 A 43 43 LYS N N 43 127.256 124.461 2.795 2
1 498 . 1 1 A 44 44 SER H H 44 8.327 7.817 0.510 2
1 499 . 1 1 A 44 44 SER HA H 44 4.009 4.276 -0.267 2
1 502 . 1 1 A 44 44 SER C C 44 174.032 177.446 -3.414 2
1 503 . 1 1 A 44 44 SER CA C 44 62.461 61.348 1.113 2
1 504 . 1 1 A 44 44 SER CB C 44 62.281 62.970 -0.689 2
1 505 . 1 1 A 44 44 SER N N 44 114.797 115.292 -0.495 2
1 506 . 1 1 A 45 45 LEU H H 45 7.878 8.083 -0.205 2
1 507 . 1 1 A 45 45 LEU HA H 45 4.254 4.098 0.156 2
1 517 . 1 1 A 45 45 LEU C C 45 172.915 179.038 -6.123 2
1 518 . 1 1 A 45 45 LEU CA C 45 57.128 58.153 -1.025 2
1 519 . 1 1 A 45 45 LEU CB C 45 41.738 42.024 -0.286 2
1 523 . 1 1 A 45 45 LEU N N 45 124.570 122.399 2.171 2
1 524 . 1 1 A 46 46 PHE H H 46 8.343 8.371 -0.028 2
1 525 . 1 1 A 46 46 PHE HA H 46 3.882 4.204 -0.322 2
1 532 . 1 1 A 46 46 PHE C C 46 175.104 177.095 -1.991 2
1 533 . 1 1 A 46 46 PHE CA C 46 61.820 61.612 0.208 2
1 534 . 1 1 A 46 46 PHE CB C 46 40.047 39.251 0.796 2
1 537 . 1 1 A 46 46 PHE N N 46 121.059 119.304 1.755 2
1 538 . 1 1 A 47 47 VAL H H 47 8.370 8.138 0.232 2
1 539 . 1 1 A 47 47 VAL HA H 47 3.466 3.473 -0.007 2
1 547 . 1 1 A 47 47 VAL C C 47 173.353 177.821 -4.468 2
1 548 . 1 1 A 47 47 VAL CA C 47 67.220 64.549 2.671 2
1 549 . 1 1 A 47 47 VAL CB C 47 31.927 31.224 0.703 2
1 552 . 1 1 A 47 47 VAL N N 47 118.023 119.220 -1.197 2
1 553 . 1 1 A 48 48 SER H H 48 7.967 8.131 -0.164 2
1 554 . 1 1 A 48 48 SER HA H 48 4.268 4.102 0.166 2
1 557 . 1 1 A 48 48 SER C C 48 174.187 177.172 -2.985 2
1 558 . 1 1 A 48 48 SER CA C 48 61.789 61.440 0.349 2
1 559 . 1 1 A 48 48 SER CB C 48 62.761 63.034 -0.273 2
1 560 . 1 1 A 48 48 SER N N 48 114.372 116.921 -2.549 2
1 561 . 1 1 A 49 49 ALA H H 49 8.489 7.945 0.544 2
1 562 . 1 1 A 49 49 ALA HA H 49 3.931 4.118 -0.187 2
1 566 . 1 1 A 49 49 ALA C C 49 172.626 179.462 -6.836 2
1 567 . 1 1 A 49 49 ALA CA C 49 55.067 54.994 0.073 2
1 568 . 1 1 A 49 49 ALA CB C 49 17.587 18.533 -0.946 2
1 569 . 1 1 A 49 49 ALA N N 49 124.199 123.237 0.962 2
1 570 . 1 1 A 50 50 PHE H H 50 8.510 8.393 0.117 2
1 571 . 1 1 A 50 50 PHE HA H 50 3.763 4.009 -0.246 2
1 578 . 1 1 A 50 50 PHE C C 50 174.923 177.548 -2.625 2
1 579 . 1 1 A 50 50 PHE CA C 50 63.098 61.521 1.577 2
1 580 . 1 1 A 50 50 PHE CB C 50 39.465 38.992 0.473 2
1 583 . 1 1 A 50 50 PHE N N 50 120.967 119.674 1.293 2
1 584 . 1 1 A 51 51 GLU H H 51 8.561 8.719 -0.158 2
1 585 . 1 1 A 51 51 GLU HA H 51 3.717 3.771 -0.054 2
1 590 . 1 1 A 51 51 GLU C C 51 173.002 179.057 -6.055 2
1 591 . 1 1 A 51 51 GLU CA C 51 59.750 59.132 0.618 2
1 592 . 1 1 A 51 51 GLU CB C 51 29.330 29.006 0.324 2
1 594 . 1 1 A 51 51 GLU N N 51 116.915 117.647 -0.732 2
1 595 . 1 1 A 52 52 THR H H 52 7.759 7.886 -0.127 2
1 596 . 1 1 A 52 52 THR HA H 52 4.090 3.825 0.265 2
1 601 . 1 1 A 52 52 THR C C 52 174.897 175.990 -1.093 2
1 602 . 1 1 A 52 52 THR CA C 52 65.899 66.470 -0.571 2
1 603 . 1 1 A 52 52 THR CB C 52 69.172 68.585 0.587 2
1 605 . 1 1 A 52 52 THR N N 52 114.348 116.998 -2.650 2
1 606 . 1 1 A 53 53 PHE H H 53 8.725 7.921 0.804 2
1 607 . 1 1 A 53 53 PHE HA H 53 4.335 4.419 -0.084 2
1 614 . 1 1 A 53 53 PHE C C 53 172.389 177.524 -5.134 2
1 615 . 1 1 A 53 53 PHE CA C 53 60.011 60.560 -0.549 2
1 616 . 1 1 A 53 53 PHE CB C 53 38.244 37.825 0.419 2
1 619 . 1 1 A 53 53 PHE N N 53 120.493 117.948 2.545 2
1 620 . 1 1 A 54 54 ARG H H 54 8.579 8.118 0.461 2
1 621 . 1 1 A 54 54 ARG HA H 54 3.626 3.862 -0.237 2
1 625 . 1 1 A 54 54 ARG C C 54 175.195 177.813 -2.618 2
1 626 . 1 1 A 54 54 ARG CA C 54 59.252 58.591 0.661 2
1 627 . 1 1 A 54 54 ARG CB C 54 26.544 29.514 -2.970 2
1 629 . 1 1 A 54 54 ARG N N 54 119.132 119.229 -0.097 2
1 631 . 1 1 A 55 55 GLU H H 55 6.758 8.420 -1.662 2
1 632 . 1 1 A 55 55 GLU HA H 55 3.983 4.076 -0.093 2
1 637 . 1 1 A 55 55 GLU C C 55 174.356 179.167 -4.811 2
1 638 . 1 1 A 55 55 GLU CA C 55 58.002 58.984 -0.983 2
1 639 . 1 1 A 55 55 GLU CB C 55 29.865 29.257 0.608 2
1 641 . 1 1 A 55 55 GLU N N 55 115.466 118.424 -2.958 2
1 642 . 1 1 A 56 56 GLU H H 56 7.245 7.766 -0.521 2
1 643 . 1 1 A 56 56 GLU HA H 56 4.294 4.122 0.172 2
1 648 . 1 1 A 56 56 GLU C C 56 175.946 176.064 -0.118 2
1 649 . 1 1 A 56 56 GLU CA C 56 55.827 58.474 -2.647 2
1 650 . 1 1 A 56 56 GLU CB C 56 30.030 29.796 0.234 2
1 652 . 1 1 A 56 56 GLU N N 56 114.653 119.580 -4.927 2
1 653 . 1 1 A 57 57 SER H H 57 7.405 7.654 -0.249 2
1 654 . 1 1 A 57 57 SER HA H 57 4.707 4.836 -0.129 2
1 657 . 1 1 A 57 57 SER C C 57 176.895 174.182 2.713 2
1 658 . 1 1 A 57 57 SER CA C 57 55.456 57.164 -1.708 2
1 659 . 1 1 A 57 57 SER CB C 57 64.059 65.747 -1.688 2
1 660 . 1 1 A 57 57 SER N N 57 114.312 113.095 1.217 2
1 661 . 1 1 A 58 58 LEU H H 58 8.819 8.865 -0.046 2
1 662 . 1 1 A 58 58 LEU HA H 58 4.120 4.121 -0.001 2
1 672 . 1 1 A 58 58 LEU C C 58 172.006 178.712 -6.706 2
1 673 . 1 1 A 58 58 LEU CA C 58 58.438 57.561 0.877 2
1 674 . 1 1 A 58 58 LEU CB C 58 41.839 41.875 -0.036 2
1 678 . 1 1 A 58 58 LEU N N 58 129.477 127.087 2.390 2
1 679 . 1 1 A 59 59 VAL H H 59 7.929 7.866 0.063 2
1 680 . 1 1 A 59 59 VAL HA H 59 4.305 4.066 0.239 2
1 688 . 1 1 A 59 59 VAL C C 59 173.624 177.921 -4.297 2
1 689 . 1 1 A 59 59 VAL CA C 59 64.028 64.431 -0.403 2
1 690 . 1 1 A 59 59 VAL CB C 59 33.135 31.339 1.796 2
1 693 . 1 1 A 59 59 VAL N N 59 112.367 114.429 -2.062 2
1 694 . 1 1 A 60 60 CYS H H 60 7.786 7.958 -0.172 2
1 695 . 1 1 A 60 60 CYS HA H 60 4.589 4.407 0.182 2
1 698 . 1 1 A 60 60 CYS C C 60 176.508 176.686 -0.178 2
1 699 . 1 1 A 60 60 CYS CA C 60 59.907 61.708 -1.801 2
1 700 . 1 1 A 60 60 CYS CB C 60 28.211 27.018 1.193 2
1 701 . 1 1 A 60 60 CYS N N 60 115.412 120.144 -4.732 2
1 702 . 1 1 A 61 61 LYS H H 61 7.415 7.688 -0.273 2
1 703 . 1 1 A 61 61 LYS HA H 61 3.820 4.090 -0.270 2
1 712 . 1 1 A 61 61 LYS C C 61 175.812 176.852 -1.040 2
1 713 . 1 1 A 61 61 LYS CA C 61 60.389 58.500 1.889 2
1 714 . 1 1 A 61 61 LYS CB C 61 32.606 32.180 0.426 2
1 718 . 1 1 A 61 61 LYS N N 61 120.942 119.493 1.449 2
1 719 . 1 1 A 62 62 ASP C C 62 175.254 175.067 0.187 2
1 720 . 1 1 A 62 62 ASP CA C 62 55.159 53.525 1.634 2
1 721 . 1 1 A 62 62 ASP CB C 62 42.358 41.162 1.196 2
1 722 . 1 1 A 64 64 ILE H H 64 7.784 8.533 -0.749 2
1 723 . 1 1 A 64 64 ILE HA H 64 4.126 4.946 -0.820 2
1 733 . 1 1 A 64 64 ILE C C 64 177.456 174.388 3.068 2
1 734 . 1 1 A 64 64 ILE CA C 64 60.516 59.802 0.714 2
1 735 . 1 1 A 64 64 ILE CB C 64 39.990 42.107 -2.117 2
1 739 . 1 1 A 64 64 ILE N N 64 122.653 119.487 3.166 2
1 740 . 1 1 A 65 65 LEU H H 65 8.357 8.886 -0.529 2
1 741 . 1 1 A 65 65 LEU HA H 65 4.858 4.893 -0.035 2
1 751 . 1 1 A 65 65 LEU C C 65 176.625 174.487 2.138 2
1 752 . 1 1 A 65 65 LEU CA C 65 53.315 53.564 -0.249 2
1 753 . 1 1 A 65 65 LEU CB C 65 43.307 44.276 -0.969 2
1 757 . 1 1 A 65 65 LEU N N 65 128.311 128.156 0.155 2
1 758 . 1 1 A 66 66 ASP H H 66 9.088 9.112 -0.024 2
1 759 . 1 1 A 66 66 ASP HA H 66 5.009 5.018 -0.009 2
1 762 . 1 1 A 66 66 ASP C C 66 177.504 174.873 2.631 2
1 763 . 1 1 A 66 66 ASP CA C 66 53.137 53.294 -0.157 2
1 764 . 1 1 A 66 66 ASP CB C 66 44.234 41.704 2.530 2
1 765 . 1 1 A 66 66 ASP N N 66 129.457 127.188 2.269 2
1 766 . 1 1 A 67 67 ILE H H 67 8.240 8.696 -0.456 2
1 767 . 1 1 A 67 67 ILE HA H 67 4.759 4.550 0.209 2
1 777 . 1 1 A 67 67 ILE C C 67 175.569 175.543 0.026 2
1 778 . 1 1 A 67 67 ILE CA C 67 59.640 60.919 -1.279 2
1 779 . 1 1 A 67 67 ILE CB C 67 39.948 38.080 1.868 2
1 783 . 1 1 A 67 67 ILE N N 67 120.821 126.090 -5.269 2
1 784 . 1 1 A 68 68 VAL H H 68 9.310 9.048 0.262 2
1 785 . 1 1 A 68 68 VAL HA H 68 4.149 4.279 -0.130 2
1 793 . 1 1 A 68 68 VAL C C 68 176.697 175.012 1.685 2
1 794 . 1 1 A 68 68 VAL CA C 68 60.707 61.915 -1.208 2
1 795 . 1 1 A 68 68 VAL CB C 68 34.121 33.219 0.902 2
1 798 . 1 1 A 68 68 VAL N N 68 130.182 128.311 1.871 2
1 799 . 1 1 A 69 69 ASP H H 69 8.577 8.768 -0.191 2
1 800 . 1 1 A 69 69 ASP HA H 69 4.847 4.834 0.013 2
1 803 . 1 1 A 69 69 ASP C C 69 175.713 175.221 0.492 2
1 804 . 1 1 A 69 69 ASP CA C 69 54.357 53.857 0.500 2
1 805 . 1 1 A 69 69 ASP CB C 69 41.353 40.725 0.628 2
1 806 . 1 1 A 69 69 ASP N N 69 127.151 128.300 -1.149 2
1 807 . 1 1 A 70 70 GLU H H 70 7.857 8.786 -0.929 2
1 808 . 1 1 A 70 70 GLU HA H 70 4.563 4.501 0.062 2
1 813 . 1 1 A 70 70 GLU C C 70 176.179 176.568 -0.389 2
1 814 . 1 1 A 70 70 GLU CA C 70 56.333 56.126 0.207 2
1 815 . 1 1 A 70 70 GLU CB C 70 31.503 30.740 0.763 2
1 817 . 1 1 A 70 70 GLU N N 70 123.503 125.319 -1.816 2
1 818 . 1 1 A 71 71 LYS H H 71 8.517 8.450 0.067 2
1 819 . 1 1 A 71 71 LYS HA H 71 4.261 4.429 -0.168 2
1 828 . 1 1 A 71 71 LYS C C 71 175.084 176.146 -1.062 2
1 829 . 1 1 A 71 71 LYS CA C 71 55.210 56.479 -1.269 2
1 830 . 1 1 A 71 71 LYS CB C 71 33.019 33.303 -0.284 2
1 834 . 1 1 A 71 71 LYS N N 71 124.197 122.864 1.333 2
1 835 . 1 1 A 72 72 VAL H H 72 8.612 8.499 0.113 2
1 836 . 1 1 A 72 72 VAL HA H 72 4.277 4.988 -0.711 2
1 844 . 1 1 A 72 72 VAL C C 72 176.529 174.531 1.998 2
1 845 . 1 1 A 72 72 VAL CA C 72 63.133 60.365 2.768 2
1 846 . 1 1 A 72 72 VAL CB C 72 32.188 34.413 -2.225 2
1 849 . 1 1 A 72 72 VAL N N 72 119.616 120.116 -0.500 2
1 850 . 1 1 A 73 73 GLU H H 73 7.750 8.620 -0.870 2
1 851 . 1 1 A 73 73 GLU HA H 73 4.469 4.796 -0.327 2
1 856 . 1 1 A 73 73 GLU C C 73 178.456 174.309 4.147 2
1 857 . 1 1 A 73 73 GLU CA C 73 55.241 55.071 0.170 2
1 858 . 1 1 A 73 73 GLU CB C 73 34.536 33.880 0.657 2
1 860 . 1 1 A 73 73 GLU N N 73 126.126 124.391 1.735 2
1 861 . 1 1 A 74 74 LEU H H 74 8.495 9.240 -0.745 2
1 862 . 1 1 A 74 74 LEU HA H 74 5.207 4.921 0.286 2
1 869 . 1 1 A 74 74 LEU C C 74 176.827 175.714 1.113 2
1 870 . 1 1 A 74 74 LEU CA C 74 52.600 53.501 -0.901 2
1 871 . 1 1 A 74 74 LEU CB C 74 45.404 42.718 2.686 2
1 874 . 1 1 A 74 74 LEU N N 74 123.821 126.905 -3.084 2
1 875 . 1 1 A 75 75 GLU H H 75 8.770 8.567 0.203 2
1 876 . 1 1 A 75 75 GLU HA H 75 5.127 4.338 0.789 2
1 881 . 1 1 A 75 75 GLU C C 75 176.617 175.813 0.804 2
1 882 . 1 1 A 75 75 GLU CA C 75 53.748 56.024 -2.276 2
1 883 . 1 1 A 75 75 GLU CB C 75 33.910 30.592 3.318 2
1 885 . 1 1 A 75 75 GLU N N 75 118.723 124.813 -6.090 2
1 886 . 1 1 A 76 76 CYS H H 76 9.354 8.429 0.925 2
1 887 . 1 1 A 76 76 CYS HA H 76 4.665 4.593 0.072 2
1 890 . 1 1 A 76 76 CYS C C 76 173.085 175.609 -2.524 2
1 891 . 1 1 A 76 76 CYS CA C 76 59.386 58.381 1.005 2
1 892 . 1 1 A 76 76 CYS CB C 76 32.476 28.871 3.605 2
1 893 . 1 1 A 76 76 CYS N N 76 128.378 122.513 5.865 2
1 894 . 1 1 A 77 77 LYS H H 77 9.328 8.727 0.601 2
1 895 . 1 1 A 77 77 LYS HA H 77 4.279 4.048 0.231 2
1 904 . 1 1 A 77 77 LYS C C 77 174.709 177.042 -2.333 2
1 905 . 1 1 A 77 77 LYS CA C 77 56.997 59.269 -2.272 2
1 906 . 1 1 A 77 77 LYS CB C 77 31.240 32.639 -1.399 2
1 910 . 1 1 A 77 77 LYS N N 77 129.264 125.892 3.372 2
1 911 . 1 1 A 78 78 ASP H H 78 9.182 8.163 1.019 2
1 912 . 1 1 A 78 78 ASP HA H 78 4.945 4.836 0.109 2
1 915 . 1 1 A 78 78 ASP C C 78 173.961 174.612 -0.651 2
1 916 . 1 1 A 78 78 ASP CA C 78 56.797 52.919 3.877 2
1 917 . 1 1 A 78 78 ASP CB C 78 42.214 41.112 1.102 2
1 918 . 1 1 A 78 78 ASP N N 78 122.206 117.060 5.146 2
1 919 . 1 1 A 79 79 CYS H H 79 9.871 7.976 1.895 2
1 920 . 1 1 A 79 79 CYS HA H 79 5.165 4.821 0.344 2
1 923 . 1 1 A 79 79 CYS C C 79 174.253 173.075 1.178 2
1 924 . 1 1 A 79 79 CYS CA C 79 59.123 57.709 1.414 2
1 925 . 1 1 A 79 79 CYS CB C 79 32.286 30.380 1.906 2
1 926 . 1 1 A 79 79 CYS N N 79 124.020 122.234 1.786 2
1 927 . 1 1 A 80 80 SER H H 80 7.667 8.611 -0.944 2
1 928 . 1 1 A 80 80 SER HA H 80 4.564 4.824 -0.260 2
1 931 . 1 1 A 80 80 SER C C 80 178.621 173.334 5.287 2
1 932 . 1 1 A 80 80 SER CA C 80 62.038 57.298 4.740 2
1 933 . 1 1 A 80 80 SER CB C 80 62.215 64.367 -2.152 2
1 934 . 1 1 A 80 80 SER N N 80 115.904 116.730 -0.826 2
1 935 . 1 1 A 81 81 HIS H H 81 8.916 7.647 1.269 2
1 936 . 1 1 A 81 81 HIS HA H 81 4.649 4.973 -0.324 2
1 941 . 1 1 A 81 81 HIS C C 81 178.299 173.119 5.180 2
1 942 . 1 1 A 81 81 HIS CA C 81 58.348 55.301 3.047 2
1 943 . 1 1 A 81 81 HIS CB C 81 33.016 33.409 -0.393 2
1 946 . 1 1 A 81 81 HIS N N 81 125.397 121.261 4.136 2
1 949 . 1 1 A 82 82 VAL H H 82 7.058 8.016 -0.958 2
1 950 . 1 1 A 82 82 VAL HA H 82 5.212 4.736 0.477 2
1 958 . 1 1 A 82 82 VAL C C 82 176.161 173.877 2.284 2
1 959 . 1 1 A 82 82 VAL CA C 82 60.567 59.746 0.821 2
1 960 . 1 1 A 82 82 VAL CB C 82 34.355 35.705 -1.350 2
1 963 . 1 1 A 82 82 VAL N N 82 125.314 121.130 4.184 2
1 964 . 1 1 A 83 83 PHE H H 83 8.883 8.551 0.332 2
1 965 . 1 1 A 83 83 PHE HA H 83 4.842 5.253 -0.411 2
1 972 . 1 1 A 83 83 PHE C C 83 179.687 172.696 6.992 2
1 973 . 1 1 A 83 83 PHE CA C 83 55.495 55.421 0.074 2
1 974 . 1 1 A 83 83 PHE CB C 83 40.651 41.547 -0.896 2
1 978 . 1 1 A 83 83 PHE N N 83 122.377 120.217 2.160 2
1 979 . 1 1 A 84 84 LYS H H 84 8.658 8.799 -0.141 2
1 980 . 1 1 A 84 84 LYS HA H 84 5.001 4.890 0.111 2
1 989 . 1 1 A 84 84 LYS C C 84 176.705 174.873 1.832 2
1 990 . 1 1 A 84 84 LYS CA C 84 52.738 53.624 -0.886 2
1 991 . 1 1 A 84 84 LYS CB C 84 32.660 33.813 -1.153 2
1 995 . 1 1 A 84 84 LYS N N 84 121.116 118.578 2.538 2
1 996 . 1 1 A 85 85 PRO HA H 85 4.663 4.774 -0.111 2
1 1003 . 1 1 A 85 85 PRO C C 85 174.722 176.320 -1.597 2
1 1004 . 1 1 A 85 85 PRO CA C 85 62.633 62.923 -0.290 2
1 1005 . 1 1 A 85 85 PRO CB C 85 32.712 32.056 0.656 2
1 1008 . 1 1 A 86 86 ASN H H 86 8.983 8.941 0.042 2
1 1009 . 1 1 A 86 86 ASN HA H 86 4.704 4.906 -0.202 2
1 1014 . 1 1 A 86 86 ASN C C 86 176.576 174.815 1.761 2
1 1015 . 1 1 A 86 86 ASN CA C 86 53.552 53.943 -0.391 2
1 1016 . 1 1 A 86 86 ASN CB C 86 39.208 40.452 -1.244 2
1 1017 . 1 1 A 86 86 ASN N N 86 119.549 119.984 -0.435 2
1 1019 . 1 1 A 87 87 ALA H H 87 8.122 7.922 0.200 2
1 1020 . 1 1 A 87 87 ALA HA H 87 4.369 4.163 0.206 2
1 1024 . 1 1 A 87 87 ALA C C 87 174.154 177.476 -3.321 2
1 1025 . 1 1 A 87 87 ALA CA C 87 52.560 52.634 -0.074 2
1 1026 . 1 1 A 87 87 ALA CB C 87 19.660 19.435 0.225 2
1 1027 . 1 1 A 87 87 ALA N N 87 122.483 121.468 1.015 2
1 1028 . 1 1 A 88 88 LEU H H 88 8.195 8.353 -0.158 2
1 1029 . 1 1 A 88 88 LEU HA H 88 4.192 4.349 -0.157 2
1 1039 . 1 1 A 88 88 LEU C C 88 174.871 177.894 -3.023 2
1 1040 . 1 1 A 88 88 LEU CA C 88 55.691 55.921 -0.230 2
1 1041 . 1 1 A 88 88 LEU CB C 88 41.708 42.831 -1.123 2
1 1045 . 1 1 A 88 88 LEU N N 88 118.730 118.418 0.312 2
1 1046 . 1 1 A 89 89 ASP H H 89 7.902 8.073 -0.171 2
1 1047 . 1 1 A 89 89 ASP HA H 89 4.601 4.320 0.281 2
1 1050 . 1 1 A 89 89 ASP C C 89 175.940 176.754 -0.814 2
1 1051 . 1 1 A 89 89 ASP CA C 89 53.641 56.453 -2.812 2
1 1052 . 1 1 A 89 89 ASP CB C 89 40.953 40.782 0.171 2
1 1053 . 1 1 A 89 89 ASP N N 89 118.577 119.944 -1.367 2
1 1054 . 1 1 A 90 90 TYR H H 90 7.922 7.542 0.380 2
1 1055 . 1 1 A 90 90 TYR HA H 90 4.551 4.733 -0.182 2
1 1062 . 1 1 A 90 90 TYR C C 90 175.338 176.668 -1.330 2
1 1063 . 1 1 A 90 90 TYR CA C 90 57.505 57.612 -0.107 2
1 1064 . 1 1 A 90 90 TYR CB C 90 38.147 38.769 -0.622 2
1 1067 . 1 1 A 90 90 TYR N N 90 121.632 114.944 6.688 2
1 1068 . 1 1 A 91 91 GLY H H 91 8.313 8.086 0.227 2
1 1069 . 1 1 A 91 91 GLY HA2 H 91 3.966 3.860 0.106 2
1 1070 . 1 1 A 91 91 GLY HA3 H 91 3.784 3.923 -0.139 2
1 1071 . 1 1 A 91 91 GLY C C 91 178.622 174.303 4.319 2
1 1072 . 1 1 A 91 91 GLY CA C 91 45.916 45.552 0.364 2
1 1073 . 1 1 A 91 91 GLY N N 91 108.097 109.127 -1.030 2
1 1074 . 1 1 A 92 92 VAL H H 92 7.078 7.599 -0.521 2
1 1075 . 1 1 A 92 92 VAL HA H 92 4.810 4.265 0.545 2
1 1083 . 1 1 A 92 92 VAL C C 92 176.954 175.735 1.219 2
1 1084 . 1 1 A 92 92 VAL CA C 92 59.083 61.728 -2.645 2
1 1085 . 1 1 A 92 92 VAL CB C 92 35.602 33.101 2.501 2
1 1088 . 1 1 A 92 92 VAL N N 92 113.901 117.898 -3.997 2
1 1089 . 1 1 A 93 93 CYS H H 93 9.086 8.575 0.511 2
1 1090 . 1 1 A 93 93 CYS HA H 93 4.118 4.751 -0.633 2
1 1093 . 1 1 A 93 93 CYS C C 93 173.477 176.116 -2.639 2
1 1094 . 1 1 A 93 93 CYS CA C 93 60.511 59.929 0.582 2
1 1095 . 1 1 A 93 93 CYS CB C 93 31.124 28.801 2.323 2
1 1096 . 1 1 A 93 93 CYS N N 93 126.248 122.670 3.578 2
1 1097 . 1 1 A 94 94 GLU H H 94 5.667 9.033 -3.366 2
1 1098 . 1 1 A 94 94 GLU HA H 94 4.073 3.997 0.076 2
1 1103 . 1 1 A 94 94 GLU C C 94 176.973 178.405 -1.432 2
1 1104 . 1 1 A 94 94 GLU CA C 94 57.434 59.410 -1.976 2
1 1105 . 1 1 A 94 94 GLU CB C 94 28.813 29.330 -0.517 2
1 1107 . 1 1 A 94 94 GLU N N 94 126.541 126.858 -0.317 2
1 1108 . 1 1 A 95 95 LYS H H 95 9.002 7.344 1.658 2
1 1109 . 1 1 A 95 95 LYS HA H 95 4.076 4.160 -0.083 2
1 1118 . 1 1 A 95 95 LYS C C 95 174.890 176.807 -1.917 2
1 1119 . 1 1 A 95 95 LYS CA C 95 57.782 58.583 -0.801 2
1 1120 . 1 1 A 95 95 LYS CB C 95 34.056 32.957 1.099 2
1 1124 . 1 1 A 95 95 LYS N N 95 123.753 118.366 5.387 2
1 1125 . 1 1 A 96 96 CYS H H 96 9.063 7.601 1.462 2
1 1126 . 1 1 A 96 96 CYS HA H 96 4.755 4.612 0.143 2
1 1129 . 1 1 A 96 96 CYS C C 96 174.775 173.993 0.782 2
1 1130 . 1 1 A 96 96 CYS CA C 96 58.756 57.533 1.223 2
1 1131 . 1 1 A 96 96 CYS CB C 96 32.066 29.406 2.660 2
1 1132 . 1 1 A 96 96 CYS N N 96 120.699 115.549 5.150 2
1 1133 . 1 1 A 97 97 HIS H H 97 7.541 8.707 -1.166 2
1 1134 . 1 1 A 97 97 HIS HA H 97 4.474 4.709 -0.235 2
1 1139 . 1 1 A 97 97 HIS C C 97 178.193 174.190 4.003 2
1 1140 . 1 1 A 97 97 HIS CA C 97 57.481 55.070 2.411 2
1 1141 . 1 1 A 97 97 HIS CB C 97 27.126 28.194 -1.068 2
1 1144 . 1 1 A 97 97 HIS N N 97 116.676 122.958 -6.282 2
1 1147 . 1 1 A 98 98 SER H H 98 8.775 8.046 0.729 2
1 1148 . 1 1 A 98 98 SER HA H 98 4.322 5.024 -0.702 2
1 1151 . 1 1 A 98 98 SER C C 98 176.432 173.606 2.826 2
1 1152 . 1 1 A 98 98 SER CA C 98 58.923 57.271 1.652 2
1 1153 . 1 1 A 98 98 SER CB C 98 64.790 66.642 -1.852 2
1 1154 . 1 1 A 98 98 SER N N 98 116.989 116.140 0.849 2
1 1155 . 1 1 A 99 99 LYS H H 99 8.567 8.798 -0.231 2
1 1156 . 1 1 A 99 99 LYS HA H 99 4.935 4.607 0.328 2
1 1165 . 1 1 A 99 99 LYS C C 99 173.648 177.235 -3.587 2
1 1166 . 1 1 A 99 99 LYS CA C 99 56.417 56.286 0.130 2
1 1167 . 1 1 A 99 99 LYS CB C 99 32.366 32.126 0.240 2
1 1171 . 1 1 A 99 99 LYS N N 99 122.510 123.929 -1.419 2
1 1172 . 1 1 A 100 100 ASN H H 100 9.426 8.342 1.084 2
1 1173 . 1 1 A 100 100 ASN HA H 100 4.916 4.574 0.342 2
1 1178 . 1 1 A 100 100 ASN C C 100 178.498 175.516 2.982 2
1 1179 . 1 1 A 100 100 ASN CA C 100 51.999 53.961 -1.962 2
1 1180 . 1 1 A 100 100 ASN CB C 100 36.539 37.613 -1.074 2
1 1181 . 1 1 A 100 100 ASN N N 100 124.489 117.734 6.755 2
1 1183 . 1 1 A 101 101 VAL H H 101 7.627 7.459 0.168 2
1 1184 . 1 1 A 101 101 VAL HA H 101 5.329 4.115 1.214 2
1 1192 . 1 1 A 101 101 VAL C C 101 175.484 175.904 -0.420 2
1 1193 . 1 1 A 101 101 VAL CA C 101 58.253 62.109 -3.856 2
1 1194 . 1 1 A 101 101 VAL CB C 101 34.692 32.412 2.280 2
1 1197 . 1 1 A 101 101 VAL N N 101 112.585 119.324 -6.739 2
1 1198 . 1 1 A 102 102 ILE H H 102 9.032 8.855 0.177 2
1 1199 . 1 1 A 102 102 ILE HA H 102 4.671 4.799 -0.128 2
1 1209 . 1 1 A 102 102 ILE C C 102 177.283 174.609 2.674 2
1 1210 . 1 1 A 102 102 ILE CA C 102 58.979 58.552 0.427 2
1 1211 . 1 1 A 102 102 ILE CB C 102 41.970 41.857 0.113 2
1 1215 . 1 1 A 102 102 ILE N N 102 119.819 119.618 0.201 2
1 1216 . 1 1 A 103 103 ILE H H 103 8.364 8.912 -0.548 2
1 1217 . 1 1 A 103 103 ILE HA H 103 4.527 4.209 0.318 2
1 1227 . 1 1 A 103 103 ILE C C 103 174.186 176.429 -2.244 2
1 1228 . 1 1 A 103 103 ILE CA C 103 61.366 61.384 -0.018 2
1 1229 . 1 1 A 103 103 ILE CB C 103 38.577 36.914 1.663 2
1 1233 . 1 1 A 103 103 ILE N N 103 123.325 125.001 -1.676 2
1 1234 . 1 1 A 104 104 THR H H 104 8.796 8.826 -0.030 2
1 1235 . 1 1 A 104 104 THR HA H 104 4.260 4.364 -0.104 2
1 1240 . 1 1 A 104 104 THR C C 104 176.317 173.877 2.440 2
1 1241 . 1 1 A 104 104 THR CA C 104 62.708 63.330 -0.622 2
1 1242 . 1 1 A 104 104 THR CB C 104 68.431 69.740 -1.309 2
1 1244 . 1 1 A 104 104 THR N N 104 120.825 123.057 -2.232 2
1 1245 . 1 1 A 105 105 GLN H H 105 7.705 7.665 0.040 2
1 1246 . 1 1 A 105 105 GLN HA H 105 4.482 4.572 -0.090 2
1 1253 . 1 1 A 105 105 GLN C C 105 177.316 175.238 2.078 2
1 1254 . 1 1 A 105 105 GLN CA C 105 55.621 55.473 0.148 2
1 1255 . 1 1 A 105 105 GLN CB C 105 31.897 31.572 0.325 2
1 1257 . 1 1 A 105 105 GLN N N 105 118.599 120.028 -1.429 2
1 1259 . 1 1 A 106 106 GLY H H 106 9.091 8.775 0.316 2
1 1260 . 1 1 A 106 106 GLY HA2 H 106 3.472 3.981 -0.509 2
1 1261 . 1 1 A 106 106 GLY HA3 H 106 4.255 3.984 0.271 2
1 1262 . 1 1 A 106 106 GLY C C 106 178.226 175.321 2.905 2
1 1263 . 1 1 A 106 106 GLY CA C 106 45.497 45.746 -0.249 2
1 1264 . 1 1 A 106 106 GLY N N 106 106.938 114.930 -7.992 2
1 1265 . 1 1 A 107 107 ASN H H 107 8.542 8.060 0.482 2
1 1266 . 1 1 A 107 107 ASN HA H 107 4.670 4.418 0.252 2
1 1271 . 1 1 A 107 107 ASN C C 107 176.917 175.047 1.870 2
1 1272 . 1 1 A 107 107 ASN CA C 107 52.697 55.595 -2.898 2
1 1273 . 1 1 A 107 107 ASN CB C 107 39.745 39.115 0.630 2
1 1274 . 1 1 A 107 107 ASN N N 107 117.838 119.326 -1.488 2
1 1276 . 1 1 A 108 108 GLU H H 108 8.050 7.696 0.354 2
1 1277 . 1 1 A 108 108 GLU HA H 108 4.638 4.685 -0.047 2
1 1282 . 1 1 A 108 108 GLU C C 108 176.463 175.237 1.226 2
1 1283 . 1 1 A 108 108 GLU CA C 108 55.693 54.783 0.910 2
1 1284 . 1 1 A 108 108 GLU CB C 108 32.643 33.354 -0.711 2
1 1286 . 1 1 A 108 108 GLU N N 108 118.542 115.218 3.324 2
1 1287 . 1 1 A 109 109 MET H H 109 8.431 8.600 -0.169 2
1 1288 . 1 1 A 109 109 MET HA H 109 5.236 4.764 0.472 2
1 1296 . 1 1 A 109 109 MET C C 109 176.443 175.515 0.928 2
1 1297 . 1 1 A 109 109 MET CA C 109 54.801 54.932 -0.131 2
1 1298 . 1 1 A 109 109 MET CB C 109 33.115 33.711 -0.596 2
1 1301 . 1 1 A 109 109 MET N N 109 121.401 120.322 1.079 2
1 1302 . 1 1 A 110 110 ARG H H 110 9.166 8.884 0.282 2
1 1303 . 1 1 A 110 110 ARG HA H 110 4.771 4.942 -0.171 2
1 1311 . 1 1 A 110 110 ARG C C 110 177.215 175.286 1.929 2
1 1312 . 1 1 A 110 110 ARG CA C 110 54.826 54.158 0.668 2
1 1313 . 1 1 A 110 110 ARG CB C 110 33.474 34.040 -0.566 2
1 1316 . 1 1 A 110 110 ARG N N 110 123.271 119.916 3.355 2
1 1318 . 1 1 A 111 111 LEU H H 111 8.874 8.579 0.295 2
1 1319 . 1 1 A 111 111 LEU HA H 111 4.335 4.420 -0.086 2
1 1329 . 1 1 A 111 111 LEU C C 111 175.976 176.593 -0.617 2
1 1330 . 1 1 A 111 111 LEU CA C 111 55.633 54.856 0.777 2
1 1331 . 1 1 A 111 111 LEU CB C 111 42.413 42.920 -0.507 2
1 1335 . 1 1 A 111 111 LEU N N 111 125.212 120.458 4.754 2
1 1336 . 1 1 A 112 112 LEU HA H 112 4.432 4.427 0.005 2
1 1346 . 1 1 A 112 112 LEU C C 112 173.898 176.572 -2.674 2
1 1347 . 1 1 A 112 112 LEU CA C 112 56.230 56.010 0.220 2
1 1348 . 1 1 A 112 112 LEU CB C 112 42.688 43.160 -0.473 2
1 1352 . 1 1 A 113 113 SER H H 113 7.895 7.403 0.492 2
1 1353 . 1 1 A 113 113 SER HA H 113 4.509 4.754 -0.245 2
1 1356 . 1 1 A 113 113 SER C C 113 180.240 172.190 8.050 2
1 1357 . 1 1 A 113 113 SER CA C 113 58.129 57.356 0.773 2
1 1358 . 1 1 A 113 113 SER CB C 113 64.473 65.855 -1.382 2
1 1359 . 1 1 A 113 113 SER N N 113 110.894 109.902 0.992 2
1 1360 . 1 1 A 114 114 LEU H H 114 8.151 8.499 -0.348 2
1 1361 . 1 1 A 114 114 LEU HA H 114 5.086 5.101 -0.015 2
1 1371 . 1 1 A 114 114 LEU C C 114 175.777 175.608 0.169 2
1 1372 . 1 1 A 114 114 LEU CA C 114 53.830 53.767 0.063 2
1 1373 . 1 1 A 114 114 LEU CB C 114 46.471 45.714 0.757 2
1 1377 . 1 1 A 114 114 LEU N N 114 120.671 121.856 -1.185 2
1 1378 . 1 1 A 115 115 GLU H H 115 8.666 8.940 -0.274 2
1 1379 . 1 1 A 115 115 GLU HA H 115 4.823 4.971 -0.148 2
1 1384 . 1 1 A 115 115 GLU C C 115 175.727 175.426 0.301 2
1 1385 . 1 1 A 115 115 GLU CA C 115 55.127 55.287 -0.160 2
1 1386 . 1 1 A 115 115 GLU CB C 115 31.063 32.614 -1.551 2
1 1388 . 1 1 A 115 115 GLU N N 115 122.105 121.866 0.239 2
1 1389 . 1 1 A 116 116 MET H H 116 9.159 8.829 0.330 2
1 1390 . 1 1 A 116 116 MET HA H 116 4.989 5.155 -0.166 2
1 1398 . 1 1 A 116 116 MET C C 116 177.447 174.946 2.501 2
1 1399 . 1 1 A 116 116 MET CA C 116 54.669 54.351 0.318 2
1 1400 . 1 1 A 116 116 MET CB C 116 36.107 36.330 -0.223 2
1 1403 . 1 1 A 116 116 MET N N 116 123.947 122.637 1.310 2
1 1404 . 1 1 A 117 117 LEU H H 117 8.573 8.746 -0.173 2
1 1405 . 1 1 A 117 117 LEU HA H 117 4.670 4.630 0.040 2
1 1412 . 1 1 A 117 117 LEU C C 117 175.990 176.520 -0.530 2
1 1413 . 1 1 A 117 117 LEU CA C 117 54.549 54.291 0.258 2
1 1414 . 1 1 A 117 117 LEU CB C 117 44.045 43.266 0.779 2
1 1417 . 1 1 A 117 117 LEU N N 117 122.478 123.454 -0.977 2
1 1418 . 1 1 A 118 118 ALA H H 118 8.714 8.603 0.111 2
1 1419 . 1 1 A 118 118 ALA HA H 118 4.604 4.329 0.275 2
1 1423 . 1 1 A 118 118 ALA C C 118 175.279 177.782 -2.503 2
1 1424 . 1 1 A 118 118 ALA CA C 118 52.155 53.646 -1.491 2
1 1425 . 1 1 A 118 118 ALA CB C 118 20.444 19.716 0.728 2
1 1426 . 1 1 A 118 118 ALA N N 118 127.701 125.611 2.090 2
stop_
save_