data_16156_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16156
_Entry.PDB_ID 2KES
_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 15
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 3 3 VAL H H 512 8.411 8.231 0.180 1
1 2 . 1 1 1 A 3 3 VAL HA H 512 4.140 3.768 0.372 1
1 7 . 1 1 1 A 3 3 VAL C C 512 176.681 177.534 -0.853 1
1 8 . 1 1 1 A 3 3 VAL CA C 512 63.248 65.232 -1.984 1
1 9 . 1 1 1 A 3 3 VAL CB C 512 32.219 31.157 1.062 1
1 11 . 1 1 1 A 3 3 VAL N N 512 121.730 119.735 1.995 1
1 12 . 1 1 1 A 4 4 GLU H H 513 8.552 8.524 0.028 1
1 13 . 1 1 1 A 4 4 GLU HA H 513 4.304 4.057 0.247 1
1 16 . 1 1 1 A 4 4 GLU C C 513 177.624 178.849 -1.225 1
1 17 . 1 1 1 A 4 4 GLU CA C 513 57.945 58.835 -0.890 1
1 18 . 1 1 1 A 4 4 GLU CB C 513 29.784 28.916 0.868 1
1 19 . 1 1 1 A 4 4 GLU N N 513 123.626 119.726 3.900 1
1 20 . 1 1 1 A 5 5 THR H H 514 8.341 8.050 0.291 1
1 21 . 1 1 1 A 5 5 THR HA H 514 4.364 3.914 0.450 1
1 26 . 1 1 1 A 5 5 THR C C 514 175.493 175.984 -0.491 1
1 27 . 1 1 1 A 5 5 THR CA C 514 62.824 66.670 -3.846 1
1 28 . 1 1 1 A 5 5 THR CB C 514 70.032 68.857 1.175 1
1 29 . 1 1 1 A 5 5 THR N N 514 114.159 116.464 -2.305 1
1 30 . 1 1 1 A 6 6 CYS H H 515 8.739 8.677 0.062 1
1 31 . 1 1 1 A 6 6 CYS HA H 515 4.692 4.167 0.525 1
1 34 . 1 1 1 A 6 6 CYS C C 515 178.959 176.863 2.096 1
1 35 . 1 1 1 A 6 6 CYS CA C 515 57.420 62.080 -4.660 1
1 36 . 1 1 1 A 6 6 CYS CB C 515 42.167 27.229 14.938 1
1 37 . 1 1 1 A 6 6 CYS N N 515 119.497 120.061 -0.564 1
1 38 . 1 1 1 A 7 7 MET H H 516 8.380 8.519 -0.139 1
1 39 . 1 1 1 A 7 7 MET HA H 516 4.250 4.118 0.132 1
1 44 . 1 1 1 A 7 7 MET C C 516 176.520 178.189 -1.669 1
1 45 . 1 1 1 A 7 7 MET CA C 516 58.813 58.122 0.691 1
1 46 . 1 1 1 A 7 7 MET CB C 516 32.214 32.110 0.104 1
1 47 . 1 1 1 A 7 7 MET N N 516 120.287 120.730 -0.443 1
1 48 . 1 1 1 A 8 8 SER H H 517 8.409 8.078 0.331 1
1 49 . 1 1 1 A 8 8 SER HA H 517 4.339 4.135 0.204 1
1 51 . 1 1 1 A 8 8 SER C C 517 177.818 176.421 1.397 1
1 52 . 1 1 1 A 8 8 SER CA C 517 61.119 62.261 -1.142 1
1 53 . 1 1 1 A 8 8 SER CB C 517 62.384 63.031 -0.647 1
1 54 . 1 1 1 A 8 8 SER N N 517 116.219 115.417 0.802 1
1 55 . 1 1 1 A 9 9 LEU H H 518 8.017 7.559 0.458 1
1 56 . 1 1 1 A 9 9 LEU HA H 518 4.144 4.022 0.122 1
1 66 . 1 1 1 A 9 9 LEU C C 518 178.577 179.300 -0.723 1
1 67 . 1 1 1 A 9 9 LEU CA C 518 57.927 57.801 0.126 1
1 68 . 1 1 1 A 9 9 LEU CB C 518 42.987 41.305 1.682 1
1 70 . 1 1 1 A 9 9 LEU N N 518 122.883 120.125 2.758 1
1 71 . 1 1 1 A 10 10 ALA H H 519 8.085 8.996 -0.911 1
1 72 . 1 1 1 A 10 10 ALA HA H 519 4.044 4.054 -0.010 1
1 76 . 1 1 1 A 10 10 ALA C C 519 180.731 179.771 0.960 1
1 77 . 1 1 1 A 10 10 ALA CA C 519 55.810 55.291 0.519 1
1 78 . 1 1 1 A 10 10 ALA CB C 519 17.616 17.844 -0.228 1
1 79 . 1 1 1 A 10 10 ALA N N 519 121.112 122.087 -0.975 1
1 80 . 1 1 1 A 11 11 SER H H 520 7.998 8.223 -0.225 1
1 81 . 1 1 1 A 11 11 SER HA H 520 4.283 4.174 0.109 1
1 83 . 1 1 1 A 11 11 SER C C 520 177.283 177.385 -0.102 1
1 84 . 1 1 1 A 11 11 SER CA C 520 61.279 61.483 -0.204 1
1 85 . 1 1 1 A 11 11 SER CB C 520 62.764 62.445 0.319 1
1 86 . 1 1 1 A 11 11 SER N N 520 113.163 112.973 0.190 1
1 87 . 1 1 1 A 12 12 GLN H H 521 8.082 7.493 0.589 1
1 88 . 1 1 1 A 12 12 GLN HA H 521 4.163 4.029 0.134 1
1 93 . 1 1 1 A 12 12 GLN C C 521 178.439 178.559 -0.120 1
1 94 . 1 1 1 A 12 12 GLN CA C 521 59.321 59.076 0.245 1
1 95 . 1 1 1 A 12 12 GLN CB C 521 28.932 28.301 0.631 1
1 97 . 1 1 1 A 12 12 GLN N N 521 123.452 122.042 1.410 1
1 98 . 1 1 1 A 13 13 VAL H H 522 8.289 7.828 0.461 1
1 99 . 1 1 1 A 13 13 VAL HA H 522 3.489 3.675 -0.186 1
1 107 . 1 1 1 A 13 13 VAL C C 522 179.392 178.301 1.091 1
1 108 . 1 1 1 A 13 13 VAL CA C 522 67.895 66.261 1.634 1
1 109 . 1 1 1 A 13 13 VAL CB C 522 31.597 31.559 0.038 1
1 112 . 1 1 1 A 13 13 VAL N N 522 119.508 120.117 -0.609 1
1 113 . 1 1 1 A 14 14 VAL H H 523 7.651 8.482 -0.831 1
1 114 . 1 1 1 A 14 14 VAL HA H 523 3.674 3.556 0.118 1
1 122 . 1 1 1 A 14 14 VAL C C 523 178.592 178.069 0.523 1
1 123 . 1 1 1 A 14 14 VAL CA C 523 67.190 66.548 0.642 1
1 124 . 1 1 1 A 14 14 VAL CB C 523 31.892 31.405 0.487 1
1 126 . 1 1 1 A 14 14 VAL N N 523 122.425 120.566 1.859 1
1 127 . 1 1 1 A 15 15 LYS H H 524 7.919 7.947 -0.028 1
1 128 . 1 1 1 A 15 15 LYS HA H 524 4.066 3.976 0.090 1
1 134 . 1 1 1 A 15 15 LYS C C 524 179.521 179.559 -0.038 1
1 135 . 1 1 1 A 15 15 LYS CA C 524 60.001 59.997 0.004 1
1 136 . 1 1 1 A 15 15 LYS CB C 524 32.693 32.564 0.129 1
1 139 . 1 1 1 A 15 15 LYS N N 524 120.960 119.465 1.495 1
1 140 . 1 1 1 A 16 16 LEU H H 525 8.939 7.985 0.954 1
1 141 . 1 1 1 A 16 16 LEU HA H 525 4.164 4.035 0.129 1
1 148 . 1 1 1 A 16 16 LEU C C 525 179.118 179.389 -0.271 1
1 149 . 1 1 1 A 16 16 LEU CA C 525 58.071 57.930 0.141 1
1 150 . 1 1 1 A 16 16 LEU CB C 525 43.853 42.012 1.841 1
1 153 . 1 1 1 A 16 16 LEU N N 525 119.646 120.161 -0.515 1
1 154 . 1 1 1 A 17 17 THR H H 526 8.311 8.549 -0.238 1
1 155 . 1 1 1 A 17 17 THR HA H 526 3.822 3.955 -0.133 1
1 160 . 1 1 1 A 17 17 THR C C 526 176.638 176.532 0.106 1
1 161 . 1 1 1 A 17 17 THR CA C 526 67.923 65.171 2.752 1
1 162 . 1 1 1 A 17 17 THR CB C 526 68.655 68.576 0.079 1
1 164 . 1 1 1 A 17 17 THR N N 526 115.841 112.729 3.112 1
1 165 . 1 1 1 A 18 18 LYS H H 527 7.717 8.328 -0.611 1
1 166 . 1 1 1 A 18 18 LYS HA H 527 4.112 3.970 0.142 1
1 173 . 1 1 1 A 18 18 LYS CA C 527 59.922 59.572 0.350 1
1 174 . 1 1 1 A 18 18 LYS CB C 527 32.354 32.422 -0.068 1
1 176 . 1 1 1 A 18 18 LYS N N 527 123.034 120.530 2.504 1
1 177 . 1 1 1 A 19 19 GLN H H 528 8.319 7.801 0.518 1
1 178 . 1 1 1 A 19 19 GLN HA H 528 4.149 4.070 0.079 1
1 181 . 1 1 1 A 19 19 GLN C C 528 179.236 179.052 0.184 1
1 182 . 1 1 1 A 19 19 GLN CA C 528 59.397 58.714 0.683 1
1 183 . 1 1 1 A 19 19 GLN CB C 528 29.175 28.140 1.035 1
1 184 . 1 1 1 A 19 19 GLN N N 528 119.343 118.672 0.671 1
1 185 . 1 1 1 A 20 20 LEU H H 529 8.869 8.520 0.349 1
1 186 . 1 1 1 A 20 20 LEU HA H 529 4.102 3.956 0.146 1
1 192 . 1 1 1 A 20 20 LEU C C 529 179.709 179.386 0.323 1
1 193 . 1 1 1 A 20 20 LEU CA C 529 58.277 57.912 0.365 1
1 194 . 1 1 1 A 20 20 LEU CB C 529 41.808 41.407 0.401 1
1 195 . 1 1 1 A 20 20 LEU N N 529 121.333 120.437 0.896 1
1 196 . 1 1 1 A 21 21 LYS H H 530 8.126 8.262 -0.136 1
1 197 . 1 1 1 A 21 21 LYS HA H 530 4.097 3.912 0.185 1
1 199 . 1 1 1 A 21 21 LYS C C 530 178.925 180.042 -1.117 1
1 200 . 1 1 1 A 21 21 LYS CA C 530 60.168 60.436 -0.268 1
1 201 . 1 1 1 A 21 21 LYS CB C 530 31.957 32.014 -0.057 1
1 202 . 1 1 1 A 21 21 LYS N N 530 122.900 117.717 5.183 1
1 203 . 1 1 1 A 22 22 GLU H H 531 8.138 8.432 -0.294 1
1 204 . 1 1 1 A 22 22 GLU HA H 531 4.064 4.063 0.001 1
1 208 . 1 1 1 A 22 22 GLU C C 531 179.710 179.519 0.191 1
1 209 . 1 1 1 A 22 22 GLU CA C 531 59.532 59.166 0.366 1
1 210 . 1 1 1 A 22 22 GLU CB C 531 29.446 29.488 -0.042 1
1 212 . 1 1 1 A 22 22 GLU N N 531 118.589 120.143 -1.554 1
1 213 . 1 1 1 A 23 23 GLN H H 532 8.457 8.032 0.425 1
1 214 . 1 1 1 A 23 23 GLN HA H 532 4.139 4.062 0.077 1
1 216 . 1 1 1 A 23 23 GLN C C 532 178.498 178.646 -0.148 1
1 217 . 1 1 1 A 23 23 GLN CA C 532 58.563 58.594 -0.031 1
1 218 . 1 1 1 A 23 23 GLN CB C 532 28.911 28.073 0.838 1
1 219 . 1 1 1 A 23 23 GLN N N 532 118.059 120.048 -1.989 1
1 220 . 1 1 1 A 24 24 THR H H 533 8.325 7.943 0.382 1
1 221 . 1 1 1 A 24 24 THR HA H 533 4.106 4.035 0.071 1
1 226 . 1 1 1 A 24 24 THR C C 533 175.780 176.076 -0.296 1
1 227 . 1 1 1 A 24 24 THR CA C 533 67.023 66.958 0.065 1
1 229 . 1 1 1 A 24 24 THR N N 533 117.397 117.428 -0.031 1
1 230 . 1 1 1 A 25 25 VAL H H 534 7.935 8.524 -0.589 1
1 231 . 1 1 1 A 25 25 VAL HA H 534 3.696 3.736 -0.040 1
1 239 . 1 1 1 A 25 25 VAL C C 534 179.333 177.861 1.472 1
1 240 . 1 1 1 A 25 25 VAL CA C 534 66.691 65.868 0.823 1
1 243 . 1 1 1 A 25 25 VAL N N 534 121.196 117.411 3.785 1
1 244 . 1 1 1 A 26 26 GLU H H 535 7.814 8.345 -0.531 1
1 245 . 1 1 1 A 26 26 GLU HA H 535 4.113 4.041 0.072 1
1 249 . 1 1 1 A 26 26 GLU C C 535 178.221 178.810 -0.589 1
1 250 . 1 1 1 A 26 26 GLU CA C 535 59.597 59.143 0.454 1
1 251 . 1 1 1 A 26 26 GLU CB C 535 29.298 29.113 0.185 1
1 253 . 1 1 1 A 26 26 GLU N N 535 120.430 121.035 -0.605 1
1 254 . 1 1 1 A 27 27 ARG H H 536 8.367 7.763 0.604 1
1 255 . 1 1 1 A 27 27 ARG HA H 536 3.906 4.156 -0.250 1
1 260 . 1 1 1 A 27 27 ARG C C 536 178.119 178.431 -0.312 1
1 261 . 1 1 1 A 27 27 ARG CA C 536 60.845 58.682 2.163 1
1 262 . 1 1 1 A 27 27 ARG CB C 536 27.361 29.986 -2.625 1
1 265 . 1 1 1 A 27 27 ARG N N 536 120.564 120.076 0.488 1
1 266 . 1 1 1 A 28 28 VAL H H 537 8.452 8.444 0.008 1
1 267 . 1 1 1 A 28 28 VAL HA H 537 3.691 3.808 -0.117 1
1 275 . 1 1 1 A 28 28 VAL C C 537 178.392 178.292 0.100 1
1 276 . 1 1 1 A 28 28 VAL CA C 537 66.670 65.500 1.170 1
1 277 . 1 1 1 A 28 28 VAL CB C 537 31.795 31.545 0.250 1
1 280 . 1 1 1 A 28 28 VAL N N 537 120.076 118.808 1.268 1
1 281 . 1 1 1 A 29 29 THR H H 538 8.165 8.063 0.102 1
1 282 . 1 1 1 A 29 29 THR HA H 538 3.985 3.951 0.034 1
1 287 . 1 1 1 A 29 29 THR C C 538 177.201 176.519 0.682 1
1 288 . 1 1 1 A 29 29 THR CA C 538 66.936 66.908 0.028 1
1 289 . 1 1 1 A 29 29 THR CB C 538 68.772 67.841 0.931 1
1 291 . 1 1 1 A 29 29 THR N N 538 117.307 117.094 0.213 1
1 292 . 1 1 1 A 30 30 LEU H H 539 8.145 8.521 -0.376 1
1 293 . 1 1 1 A 30 30 LEU HA H 539 4.181 4.165 0.016 1
1 303 . 1 1 1 A 30 30 LEU C C 539 178.786 178.780 0.006 1
1 304 . 1 1 1 A 30 30 LEU CA C 539 58.312 58.200 0.112 1
1 305 . 1 1 1 A 30 30 LEU CB C 539 42.965 41.690 1.275 1
1 308 . 1 1 1 A 30 30 LEU N N 539 122.885 121.787 1.098 1
1 309 . 1 1 1 A 31 31 GLN H H 540 8.739 8.540 0.199 1
1 310 . 1 1 1 A 31 31 GLN HA H 540 3.976 4.160 -0.184 1
1 315 . 1 1 1 A 31 31 GLN C C 540 179.052 178.600 0.452 1
1 316 . 1 1 1 A 31 31 GLN CA C 540 59.485 59.313 0.172 1
1 317 . 1 1 1 A 31 31 GLN CB C 540 28.488 27.979 0.509 1
1 319 . 1 1 1 A 31 31 GLN N N 540 119.660 117.894 1.766 1
1 320 . 1 1 1 A 32 32 ASN H H 541 8.467 8.557 -0.090 1
1 321 . 1 1 1 A 32 32 ASN HA H 541 4.532 4.436 0.096 1
1 324 . 1 1 1 A 32 32 ASN C C 541 178.095 177.821 0.274 1
1 325 . 1 1 1 A 32 32 ASN CA C 541 56.010 56.552 -0.542 1
1 326 . 1 1 1 A 32 32 ASN CB C 541 37.881 38.989 -1.108 1
1 327 . 1 1 1 A 32 32 ASN N N 541 118.499 117.682 0.817 1
1 328 . 1 1 1 A 33 33 GLN H H 542 8.158 8.149 0.009 1
1 329 . 1 1 1 A 33 33 GLN HA H 542 4.029 4.073 -0.044 1
1 333 . 1 1 1 A 33 33 GLN C C 542 178.763 178.952 -0.189 1
1 334 . 1 1 1 A 33 33 GLN CA C 542 58.964 58.968 -0.004 1
1 335 . 1 1 1 A 33 33 GLN CB C 542 28.949 27.906 1.043 1
1 337 . 1 1 1 A 33 33 GLN N N 542 121.150 118.393 2.757 1
1 338 . 1 1 1 A 34 34 LEU H H 543 8.606 8.406 0.200 1
1 339 . 1 1 1 A 34 34 LEU HA H 543 4.140 4.291 -0.151 1
1 349 . 1 1 1 A 34 34 LEU C C 543 178.395 178.470 -0.075 1
1 350 . 1 1 1 A 34 34 LEU CA C 543 58.323 57.693 0.630 1
1 351 . 1 1 1 A 34 34 LEU CB C 543 41.979 41.592 0.387 1
1 355 . 1 1 1 A 34 34 LEU N N 543 120.557 121.595 -1.038 1
1 356 . 1 1 1 A 35 35 GLN H H 544 8.170 8.854 -0.684 1
1 357 . 1 1 1 A 35 35 GLN HA H 544 3.969 3.936 0.033 1
1 361 . 1 1 1 A 35 35 GLN C C 544 178.194 178.527 -0.333 1
1 362 . 1 1 1 A 35 35 GLN CA C 544 59.060 59.622 -0.562 1
1 363 . 1 1 1 A 35 35 GLN CB C 544 28.046 28.261 -0.215 1
1 365 . 1 1 1 A 35 35 GLN N N 544 117.978 118.929 -0.951 1
1 366 . 1 1 1 A 36 36 GLN H H 545 7.786 8.360 -0.574 1
1 367 . 1 1 1 A 36 36 GLN HA H 545 4.024 4.066 -0.042 1
1 371 . 1 1 1 A 36 36 GLN C C 545 178.864 178.498 0.366 1
1 372 . 1 1 1 A 36 36 GLN CA C 545 58.857 59.017 -0.160 1
1 373 . 1 1 1 A 36 36 GLN CB C 545 28.112 27.938 0.174 1
1 375 . 1 1 1 A 36 36 GLN N N 545 116.904 118.613 -1.709 1
1 376 . 1 1 1 A 37 37 PHE H H 546 7.734 8.297 -0.563 1
1 377 . 1 1 1 A 37 37 PHE HA H 546 4.233 4.218 0.015 1
1 382 . 1 1 1 A 37 37 PHE C C 546 178.078 177.569 0.509 1
1 383 . 1 1 1 A 37 37 PHE CA C 546 60.681 61.238 -0.557 1
1 384 . 1 1 1 A 37 37 PHE CB C 546 38.124 39.309 -1.185 1
1 385 . 1 1 1 A 37 37 PHE N N 546 119.594 122.403 -2.809 1
1 386 . 1 1 1 A 38 38 LEU H H 547 8.240 8.665 -0.425 1
1 387 . 1 1 1 A 38 38 LEU HA H 547 4.037 3.415 0.622 1
1 394 . 1 1 1 A 38 38 LEU C C 547 180.193 178.531 1.662 1
1 395 . 1 1 1 A 38 38 LEU CA C 547 57.303 58.101 -0.798 1
1 396 . 1 1 1 A 38 38 LEU CB C 547 41.519 41.087 0.432 1
1 398 . 1 1 1 A 38 38 LEU N N 547 119.925 118.465 1.460 1
1 399 . 1 1 1 A 39 39 GLU H H 548 8.273 8.666 -0.393 1
1 400 . 1 1 1 A 39 39 GLU HA H 548 4.083 3.977 0.106 1
1 403 . 1 1 1 A 39 39 GLU C C 548 178.417 179.010 -0.593 1
1 404 . 1 1 1 A 39 39 GLU CA C 548 58.494 59.092 -0.598 1
1 405 . 1 1 1 A 39 39 GLU CB C 548 29.238 29.747 -0.509 1
1 407 . 1 1 1 A 39 39 GLU N N 548 119.463 119.466 -0.003 1
1 408 . 1 1 1 A 40 40 ALA H H 549 7.714 8.504 -0.790 1
1 409 . 1 1 1 A 40 40 ALA HA H 549 4.244 4.029 0.215 1
1 413 . 1 1 1 A 40 40 ALA C C 549 179.123 179.860 -0.737 1
1 414 . 1 1 1 A 40 40 ALA CA C 549 53.829 54.955 -1.126 1
1 415 . 1 1 1 A 40 40 ALA CB C 549 18.330 18.227 0.103 1
1 416 . 1 1 1 A 40 40 ALA N N 549 122.046 122.452 -0.406 1
1 417 . 1 1 1 A 41 41 GLN H H 550 7.825 7.665 0.160 1
1 418 . 1 1 1 A 41 41 GLN HA H 550 4.207 3.913 0.294 1
1 423 . 1 1 1 A 41 41 GLN C C 550 177.115 178.500 -1.385 1
1 424 . 1 1 1 A 41 41 GLN CA C 550 56.917 58.691 -1.774 1
1 425 . 1 1 1 A 41 41 GLN CB C 550 28.948 28.175 0.773 1
1 427 . 1 1 1 A 41 41 GLN N N 550 117.391 117.780 -0.389 1
1 428 . 1 1 1 A 42 42 LYS H H 551 7.905 8.284 -0.379 1
1 429 . 1 1 1 A 42 42 LYS HA H 551 4.293 4.052 0.241 1
1 435 . 1 1 1 A 42 42 LYS C C 551 177.498 178.577 -1.079 1
1 436 . 1 1 1 A 42 42 LYS CA C 551 57.298 58.839 -1.541 1
1 437 . 1 1 1 A 42 42 LYS CB C 551 32.903 31.683 1.220 1
1 441 . 1 1 1 A 42 42 LYS N N 551 120.398 119.305 1.093 1
1 442 . 1 1 1 A 43 43 SER H H 552 8.144 8.334 -0.190 1
1 443 . 1 1 1 A 43 43 SER HA H 552 4.438 4.249 0.189 1
1 445 . 1 1 1 A 43 43 SER C C 552 174.871 176.262 -1.391 1
1 446 . 1 1 1 A 43 43 SER CA C 552 58.932 61.576 -2.644 1
1 447 . 1 1 1 A 43 43 SER CB C 552 63.785 63.020 0.765 1
1 448 . 1 1 1 A 43 43 SER N N 552 115.839 117.628 -1.789 1
1 449 . 1 1 1 A 44 44 GLU H H 553 8.267 7.652 0.615 1
1 450 . 1 1 1 A 44 44 GLU HA H 553 4.300 4.097 0.203 1
1 454 . 1 1 1 A 44 44 GLU C C 553 177.103 180.134 -3.031 1
1 455 . 1 1 1 A 44 44 GLU CA C 553 56.940 59.244 -2.304 1
1 456 . 1 1 1 A 44 44 GLU CB C 553 29.992 29.137 0.855 1
1 458 . 1 1 1 A 44 44 GLU N N 553 122.271 121.812 0.459 1
1 459 . 1 1 1 A 45 45 GLY H H 554 8.384 8.085 0.299 1
1 460 . 1 1 1 A 45 45 GLY HA2 H 554 3.963 3.632 0.331 1
1 461 . 1 1 1 A 45 45 GLY HA3 H 554 3.963 3.639 0.324 1
1 462 . 1 1 1 A 45 45 GLY C C 554 174.201 175.701 -1.500 1
1 463 . 1 1 1 A 45 45 GLY CA C 554 45.474 47.040 -1.566 1
1 464 . 1 1 1 A 45 45 GLY N N 554 109.533 109.606 -0.073 1
1 465 . 1 1 1 A 46 46 LYS H H 555 8.064 8.209 -0.145 1
1 466 . 1 1 1 A 46 46 LYS HA H 555 4.417 4.237 0.180 1
1 472 . 1 1 1 A 46 46 LYS C C 555 176.485 175.935 0.550 1
1 473 . 1 1 1 A 46 46 LYS CA C 555 56.017 57.934 -1.917 1
1 474 . 1 1 1 A 46 46 LYS CB C 555 33.281 32.008 1.273 1
1 477 . 1 1 1 A 46 46 LYS N N 555 120.660 118.274 2.386 1
1 478 . 1 1 1 A 47 47 SER H H 556 8.391 7.418 0.973 1
1 479 . 1 1 1 A 47 47 SER HA H 556 4.562 4.675 -0.113 1
1 482 . 1 1 1 A 47 47 SER C C 556 173.556 173.230 0.326 1
1 483 . 1 1 1 A 47 47 SER CA C 556 58.444 56.223 2.221 1
1 484 . 1 1 1 A 47 47 SER CB C 556 64.149 65.424 -1.275 1
1 485 . 1 1 1 A 47 47 SER N N 556 117.900 116.234 1.666 1
1 1 . 2 1 1 A 3 3 VAL H H 512 8.411 8.389 0.022 1
1 2 . 2 1 1 A 3 3 VAL HA H 512 4.140 4.083 0.057 1
1 7 . 2 1 1 A 3 3 VAL C C 512 176.681 177.766 -1.085 1
1 8 . 2 1 1 A 3 3 VAL CA C 512 63.248 64.675 -1.427 1
1 9 . 2 1 1 A 3 3 VAL CB C 512 32.219 32.531 -0.312 1
1 11 . 2 1 1 A 3 3 VAL N N 512 121.730 125.089 -3.359 1
1 12 . 2 1 1 A 4 4 GLU H H 513 8.552 8.288 0.264 1
1 13 . 2 1 1 A 4 4 GLU HA H 513 4.304 4.079 0.225 1
1 16 . 2 1 1 A 4 4 GLU C C 513 177.624 178.298 -0.674 1
1 17 . 2 1 1 A 4 4 GLU CA C 513 57.945 58.977 -1.032 1
1 18 . 2 1 1 A 4 4 GLU CB C 513 29.784 28.986 0.798 1
1 19 . 2 1 1 A 4 4 GLU N N 513 123.626 120.052 3.574 1
1 20 . 2 1 1 A 5 5 THR H H 514 8.341 8.015 0.326 1
1 21 . 2 1 1 A 5 5 THR HA H 514 4.364 4.055 0.309 1
1 26 . 2 1 1 A 5 5 THR C C 514 175.493 176.624 -1.131 1
1 27 . 2 1 1 A 5 5 THR CA C 514 62.824 65.137 -2.313 1
1 28 . 2 1 1 A 5 5 THR CB C 514 70.032 68.242 1.790 1
1 29 . 2 1 1 A 5 5 THR N N 514 114.159 111.749 2.410 1
1 30 . 2 1 1 A 6 6 CYS H H 515 8.739 8.261 0.478 1
1 31 . 2 1 1 A 6 6 CYS HA H 515 4.692 4.007 0.685 1
1 34 . 2 1 1 A 6 6 CYS C C 515 178.959 176.977 1.982 1
1 35 . 2 1 1 A 6 6 CYS CA C 515 57.420 62.661 -5.241 1
1 36 . 2 1 1 A 6 6 CYS CB C 515 42.167 26.970 15.197 1
1 37 . 2 1 1 A 6 6 CYS N N 515 119.497 121.362 -1.865 1
1 38 . 2 1 1 A 7 7 MET H H 516 8.380 8.397 -0.017 1
1 39 . 2 1 1 A 7 7 MET HA H 516 4.250 4.162 0.088 1
1 44 . 2 1 1 A 7 7 MET C C 516 176.520 178.152 -1.632 1
1 45 . 2 1 1 A 7 7 MET CA C 516 58.813 58.089 0.724 1
1 46 . 2 1 1 A 7 7 MET CB C 516 32.214 31.771 0.443 1
1 47 . 2 1 1 A 7 7 MET N N 516 120.287 120.688 -0.401 1
1 48 . 2 1 1 A 8 8 SER H H 517 8.409 7.818 0.591 1
1 49 . 2 1 1 A 8 8 SER HA H 517 4.339 4.251 0.088 1
1 51 . 2 1 1 A 8 8 SER C C 517 177.818 176.695 1.123 1
1 52 . 2 1 1 A 8 8 SER CA C 517 61.119 61.111 0.008 1
1 53 . 2 1 1 A 8 8 SER CB C 517 62.384 62.941 -0.557 1
1 54 . 2 1 1 A 8 8 SER N N 517 116.219 114.353 1.866 1
1 55 . 2 1 1 A 9 9 LEU H H 518 8.017 8.085 -0.068 1
1 56 . 2 1 1 A 9 9 LEU HA H 518 4.144 4.019 0.125 1
1 66 . 2 1 1 A 9 9 LEU C C 518 178.577 179.146 -0.569 1
1 67 . 2 1 1 A 9 9 LEU CA C 518 57.927 57.814 0.113 1
1 68 . 2 1 1 A 9 9 LEU CB C 518 42.987 41.269 1.718 1
1 70 . 2 1 1 A 9 9 LEU N N 518 122.883 119.940 2.943 1
1 71 . 2 1 1 A 10 10 ALA H H 519 8.085 8.664 -0.579 1
1 72 . 2 1 1 A 10 10 ALA HA H 519 4.044 4.089 -0.045 1
1 76 . 2 1 1 A 10 10 ALA C C 519 180.731 179.261 1.470 1
1 77 . 2 1 1 A 10 10 ALA CA C 519 55.810 55.269 0.541 1
1 78 . 2 1 1 A 10 10 ALA CB C 519 17.616 17.995 -0.379 1
1 79 . 2 1 1 A 10 10 ALA N N 519 121.112 122.034 -0.922 1
1 80 . 2 1 1 A 11 11 SER H H 520 7.998 8.036 -0.038 1
1 81 . 2 1 1 A 11 11 SER HA H 520 4.283 4.176 0.107 1
1 83 . 2 1 1 A 11 11 SER C C 520 177.283 176.822 0.461 1
1 84 . 2 1 1 A 11 11 SER CA C 520 61.279 61.226 0.053 1
1 85 . 2 1 1 A 11 11 SER CB C 520 62.764 62.943 -0.179 1
1 86 . 2 1 1 A 11 11 SER N N 520 113.163 112.908 0.255 1
1 87 . 2 1 1 A 12 12 GLN H H 521 8.082 7.501 0.581 1
1 88 . 2 1 1 A 12 12 GLN HA H 521 4.163 4.077 0.086 1
1 93 . 2 1 1 A 12 12 GLN C C 521 178.439 179.052 -0.613 1
1 94 . 2 1 1 A 12 12 GLN CA C 521 59.321 58.847 0.474 1
1 95 . 2 1 1 A 12 12 GLN CB C 521 28.932 28.503 0.429 1
1 97 . 2 1 1 A 12 12 GLN N N 521 123.452 121.235 2.217 1
1 98 . 2 1 1 A 13 13 VAL H H 522 8.289 8.076 0.213 1
1 99 . 2 1 1 A 13 13 VAL HA H 522 3.489 3.578 -0.089 1
1 107 . 2 1 1 A 13 13 VAL C C 522 179.392 178.328 1.064 1
1 108 . 2 1 1 A 13 13 VAL CA C 522 67.895 66.393 1.502 1
1 109 . 2 1 1 A 13 13 VAL CB C 522 31.597 31.491 0.106 1
1 112 . 2 1 1 A 13 13 VAL N N 522 119.508 120.760 -1.252 1
1 113 . 2 1 1 A 14 14 VAL H H 523 7.651 8.450 -0.799 1
1 114 . 2 1 1 A 14 14 VAL HA H 523 3.674 3.544 0.130 1
1 122 . 2 1 1 A 14 14 VAL C C 523 178.592 177.910 0.682 1
1 123 . 2 1 1 A 14 14 VAL CA C 523 67.190 66.613 0.577 1
1 124 . 2 1 1 A 14 14 VAL CB C 523 31.892 31.452 0.440 1
1 126 . 2 1 1 A 14 14 VAL N N 523 122.425 120.675 1.750 1
1 127 . 2 1 1 A 15 15 LYS H H 524 7.919 8.033 -0.114 1
1 128 . 2 1 1 A 15 15 LYS HA H 524 4.066 3.942 0.124 1
1 134 . 2 1 1 A 15 15 LYS C C 524 179.521 179.756 -0.235 1
1 135 . 2 1 1 A 15 15 LYS CA C 524 60.001 59.970 0.031 1
1 136 . 2 1 1 A 15 15 LYS CB C 524 32.693 32.236 0.457 1
1 139 . 2 1 1 A 15 15 LYS N N 524 120.960 119.311 1.649 1
1 140 . 2 1 1 A 16 16 LEU H H 525 8.939 8.502 0.437 1
1 141 . 2 1 1 A 16 16 LEU HA H 525 4.164 4.063 0.101 1
1 148 . 2 1 1 A 16 16 LEU C C 525 179.118 179.182 -0.064 1
1 149 . 2 1 1 A 16 16 LEU CA C 525 58.071 57.881 0.190 1
1 150 . 2 1 1 A 16 16 LEU CB C 525 43.853 41.707 2.146 1
1 153 . 2 1 1 A 16 16 LEU N N 525 119.646 120.707 -1.061 1
1 154 . 2 1 1 A 17 17 THR H H 526 8.311 8.776 -0.465 1
1 155 . 2 1 1 A 17 17 THR HA H 526 3.822 3.948 -0.126 1
1 160 . 2 1 1 A 17 17 THR C C 526 176.638 176.629 0.009 1
1 161 . 2 1 1 A 17 17 THR CA C 526 67.923 65.066 2.857 1
1 162 . 2 1 1 A 17 17 THR CB C 526 68.655 68.641 0.014 1
1 164 . 2 1 1 A 17 17 THR N N 526 115.841 112.848 2.993 1
1 165 . 2 1 1 A 18 18 LYS H H 527 7.717 8.128 -0.411 1
1 166 . 2 1 1 A 18 18 LYS HA H 527 4.112 3.990 0.122 1
1 173 . 2 1 1 A 18 18 LYS CA C 527 59.922 59.636 0.286 1
1 174 . 2 1 1 A 18 18 LYS CB C 527 32.354 32.253 0.101 1
1 176 . 2 1 1 A 18 18 LYS N N 527 123.034 120.484 2.550 1
1 177 . 2 1 1 A 19 19 GLN H H 528 8.319 7.878 0.441 1
1 178 . 2 1 1 A 19 19 GLN HA H 528 4.149 4.060 0.089 1
1 181 . 2 1 1 A 19 19 GLN C C 528 179.236 178.675 0.561 1
1 182 . 2 1 1 A 19 19 GLN CA C 528 59.397 58.719 0.678 1
1 183 . 2 1 1 A 19 19 GLN CB C 528 29.175 28.292 0.883 1
1 184 . 2 1 1 A 19 19 GLN N N 528 119.343 118.649 0.694 1
1 185 . 2 1 1 A 20 20 LEU H H 529 8.869 8.860 0.009 1
1 186 . 2 1 1 A 20 20 LEU HA H 529 4.102 4.040 0.062 1
1 192 . 2 1 1 A 20 20 LEU C C 529 179.709 178.924 0.785 1
1 193 . 2 1 1 A 20 20 LEU CA C 529 58.277 57.961 0.316 1
1 194 . 2 1 1 A 20 20 LEU CB C 529 41.808 41.306 0.502 1
1 195 . 2 1 1 A 20 20 LEU N N 529 121.333 119.627 1.706 1
1 196 . 2 1 1 A 21 21 LYS H H 530 8.126 8.120 0.006 1
1 197 . 2 1 1 A 21 21 LYS HA H 530 4.097 3.945 0.152 1
1 199 . 2 1 1 A 21 21 LYS C C 530 178.925 178.942 -0.017 1
1 200 . 2 1 1 A 21 21 LYS CA C 530 60.168 59.879 0.289 1
1 201 . 2 1 1 A 21 21 LYS CB C 530 31.957 32.398 -0.441 1
1 202 . 2 1 1 A 21 21 LYS N N 530 122.900 120.304 2.596 1
1 203 . 2 1 1 A 22 22 GLU H H 531 8.138 7.899 0.239 1
1 204 . 2 1 1 A 22 22 GLU HA H 531 4.064 4.119 -0.055 1
1 208 . 2 1 1 A 22 22 GLU C C 531 179.710 179.706 0.004 1
1 209 . 2 1 1 A 22 22 GLU CA C 531 59.532 59.403 0.129 1
1 210 . 2 1 1 A 22 22 GLU CB C 531 29.446 29.207 0.239 1
1 212 . 2 1 1 A 22 22 GLU N N 531 118.589 118.616 -0.027 1
1 213 . 2 1 1 A 23 23 GLN H H 532 8.457 8.123 0.334 1
1 214 . 2 1 1 A 23 23 GLN HA H 532 4.139 4.067 0.072 1
1 216 . 2 1 1 A 23 23 GLN C C 532 178.498 178.620 -0.122 1
1 217 . 2 1 1 A 23 23 GLN CA C 532 58.563 58.578 -0.015 1
1 218 . 2 1 1 A 23 23 GLN CB C 532 28.911 28.079 0.832 1
1 219 . 2 1 1 A 23 23 GLN N N 532 118.059 120.083 -2.024 1
1 220 . 2 1 1 A 24 24 THR H H 533 8.325 8.272 0.053 1
1 221 . 2 1 1 A 24 24 THR HA H 533 4.106 4.018 0.088 1
1 226 . 2 1 1 A 24 24 THR C C 533 175.780 176.468 -0.688 1
1 227 . 2 1 1 A 24 24 THR CA C 533 67.023 66.992 0.031 1
1 229 . 2 1 1 A 24 24 THR N N 533 117.397 117.158 0.239 1
1 230 . 2 1 1 A 25 25 VAL H H 534 7.935 7.925 0.010 1
1 231 . 2 1 1 A 25 25 VAL HA H 534 3.696 3.714 -0.018 1
1 239 . 2 1 1 A 25 25 VAL C C 534 179.333 177.843 1.490 1
1 240 . 2 1 1 A 25 25 VAL CA C 534 66.691 66.022 0.669 1
1 243 . 2 1 1 A 25 25 VAL N N 534 121.196 117.673 3.523 1
1 244 . 2 1 1 A 26 26 GLU H H 535 7.814 8.399 -0.585 1
1 245 . 2 1 1 A 26 26 GLU HA H 535 4.113 3.999 0.114 1
1 249 . 2 1 1 A 26 26 GLU C C 535 178.221 178.855 -0.634 1
1 250 . 2 1 1 A 26 26 GLU CA C 535 59.597 58.972 0.625 1
1 251 . 2 1 1 A 26 26 GLU CB C 535 29.298 29.014 0.284 1
1 253 . 2 1 1 A 26 26 GLU N N 535 120.430 120.981 -0.551 1
1 254 . 2 1 1 A 27 27 ARG H H 536 8.367 7.968 0.399 1
1 255 . 2 1 1 A 27 27 ARG HA H 536 3.906 4.162 -0.256 1
1 260 . 2 1 1 A 27 27 ARG C C 536 178.119 178.569 -0.450 1
1 261 . 2 1 1 A 27 27 ARG CA C 536 60.845 58.604 2.241 1
1 262 . 2 1 1 A 27 27 ARG CB C 536 27.361 29.995 -2.634 1
1 265 . 2 1 1 A 27 27 ARG N N 536 120.564 120.159 0.405 1
1 266 . 2 1 1 A 28 28 VAL H H 537 8.452 8.390 0.062 1
1 267 . 2 1 1 A 28 28 VAL HA H 537 3.691 3.807 -0.116 1
1 275 . 2 1 1 A 28 28 VAL C C 537 178.392 178.182 0.210 1
1 276 . 2 1 1 A 28 28 VAL CA C 537 66.670 65.402 1.268 1
1 277 . 2 1 1 A 28 28 VAL CB C 537 31.795 31.653 0.142 1
1 280 . 2 1 1 A 28 28 VAL N N 537 120.076 119.037 1.039 1
1 281 . 2 1 1 A 29 29 THR H H 538 8.165 7.973 0.192 1
1 282 . 2 1 1 A 29 29 THR HA H 538 3.985 3.983 0.002 1
1 287 . 2 1 1 A 29 29 THR C C 538 177.201 176.566 0.635 1
1 288 . 2 1 1 A 29 29 THR CA C 538 66.936 66.890 0.046 1
1 289 . 2 1 1 A 29 29 THR CB C 538 68.772 67.837 0.935 1
1 291 . 2 1 1 A 29 29 THR N N 538 117.307 116.872 0.435 1
1 292 . 2 1 1 A 30 30 LEU H H 539 8.145 8.492 -0.347 1
1 293 . 2 1 1 A 30 30 LEU HA H 539 4.181 3.991 0.190 1
1 303 . 2 1 1 A 30 30 LEU C C 539 178.786 178.862 -0.076 1
1 304 . 2 1 1 A 30 30 LEU CA C 539 58.312 58.142 0.170 1
1 305 . 2 1 1 A 30 30 LEU CB C 539 42.965 41.522 1.443 1
1 308 . 2 1 1 A 30 30 LEU N N 539 122.885 121.743 1.142 1
1 309 . 2 1 1 A 31 31 GLN H H 540 8.739 8.759 -0.020 1
1 310 . 2 1 1 A 31 31 GLN HA H 540 3.976 4.145 -0.169 1
1 315 . 2 1 1 A 31 31 GLN C C 540 179.052 178.490 0.562 1
1 316 . 2 1 1 A 31 31 GLN CA C 540 59.485 59.335 0.150 1
1 317 . 2 1 1 A 31 31 GLN CB C 540 28.488 27.886 0.602 1
1 319 . 2 1 1 A 31 31 GLN N N 540 119.660 117.740 1.920 1
1 320 . 2 1 1 A 32 32 ASN H H 541 8.467 8.576 -0.109 1
1 321 . 2 1 1 A 32 32 ASN HA H 541 4.532 4.436 0.096 1
1 324 . 2 1 1 A 32 32 ASN C C 541 178.095 177.805 0.290 1
1 325 . 2 1 1 A 32 32 ASN CA C 541 56.010 56.588 -0.578 1
1 326 . 2 1 1 A 32 32 ASN CB C 541 37.881 39.075 -1.194 1
1 327 . 2 1 1 A 32 32 ASN N N 541 118.499 117.615 0.884 1
1 328 . 2 1 1 A 33 33 GLN H H 542 8.158 7.930 0.228 1
1 329 . 2 1 1 A 33 33 GLN HA H 542 4.029 4.066 -0.037 1
1 333 . 2 1 1 A 33 33 GLN C C 542 178.763 179.013 -0.250 1
1 334 . 2 1 1 A 33 33 GLN CA C 542 58.964 58.960 0.004 1
1 335 . 2 1 1 A 33 33 GLN CB C 542 28.949 27.958 0.991 1
1 337 . 2 1 1 A 33 33 GLN N N 542 121.150 118.411 2.739 1
1 338 . 2 1 1 A 34 34 LEU H H 543 8.606 8.491 0.115 1
1 339 . 2 1 1 A 34 34 LEU HA H 543 4.140 4.259 -0.119 1
1 349 . 2 1 1 A 34 34 LEU C C 543 178.395 178.370 0.025 1
1 350 . 2 1 1 A 34 34 LEU CA C 543 58.323 57.623 0.700 1
1 351 . 2 1 1 A 34 34 LEU CB C 543 41.979 41.586 0.393 1
1 355 . 2 1 1 A 34 34 LEU N N 543 120.557 121.581 -1.024 1
1 356 . 2 1 1 A 35 35 GLN H H 544 8.170 8.783 -0.613 1
1 357 . 2 1 1 A 35 35 GLN HA H 544 3.969 3.950 0.019 1
1 361 . 2 1 1 A 35 35 GLN C C 544 178.194 178.545 -0.351 1
1 362 . 2 1 1 A 35 35 GLN CA C 544 59.060 59.518 -0.458 1
1 363 . 2 1 1 A 35 35 GLN CB C 544 28.046 28.212 -0.166 1
1 365 . 2 1 1 A 35 35 GLN N N 544 117.978 118.939 -0.961 1
1 366 . 2 1 1 A 36 36 GLN H H 545 7.786 7.746 0.040 1
1 367 . 2 1 1 A 36 36 GLN HA H 545 4.024 4.120 -0.096 1
1 371 . 2 1 1 A 36 36 GLN C C 545 178.864 178.657 0.207 1
1 372 . 2 1 1 A 36 36 GLN CA C 545 58.857 58.771 0.086 1
1 373 . 2 1 1 A 36 36 GLN CB C 545 28.112 28.164 -0.052 1
1 375 . 2 1 1 A 36 36 GLN N N 545 116.904 119.125 -2.221 1
1 376 . 2 1 1 A 37 37 PHE H H 546 7.734 8.134 -0.400 1
1 377 . 2 1 1 A 37 37 PHE HA H 546 4.233 4.170 0.063 1
1 382 . 2 1 1 A 37 37 PHE C C 546 178.078 177.584 0.494 1
1 383 . 2 1 1 A 37 37 PHE CA C 546 60.681 61.272 -0.591 1
1 384 . 2 1 1 A 37 37 PHE CB C 546 38.124 39.203 -1.079 1
1 385 . 2 1 1 A 37 37 PHE N N 546 119.594 121.371 -1.777 1
1 386 . 2 1 1 A 38 38 LEU H H 547 8.240 8.668 -0.428 1
1 387 . 2 1 1 A 38 38 LEU HA H 547 4.037 3.527 0.510 1
1 394 . 2 1 1 A 38 38 LEU C C 547 180.193 178.694 1.499 1
1 395 . 2 1 1 A 38 38 LEU CA C 547 57.303 58.059 -0.756 1
1 396 . 2 1 1 A 38 38 LEU CB C 547 41.519 41.112 0.407 1
1 398 . 2 1 1 A 38 38 LEU N N 547 119.925 119.023 0.902 1
1 399 . 2 1 1 A 39 39 GLU H H 548 8.273 8.489 -0.216 1
1 400 . 2 1 1 A 39 39 GLU HA H 548 4.083 3.973 0.110 1
1 403 . 2 1 1 A 39 39 GLU C C 548 178.417 179.170 -0.753 1
1 404 . 2 1 1 A 39 39 GLU CA C 548 58.494 59.563 -1.069 1
1 405 . 2 1 1 A 39 39 GLU CB C 548 29.238 29.319 -0.081 1
1 407 . 2 1 1 A 39 39 GLU N N 548 119.463 119.418 0.045 1
1 408 . 2 1 1 A 40 40 ALA H H 549 7.714 7.969 -0.255 1
1 409 . 2 1 1 A 40 40 ALA HA H 549 4.244 4.022 0.222 1
1 413 . 2 1 1 A 40 40 ALA C C 549 179.123 179.634 -0.511 1
1 414 . 2 1 1 A 40 40 ALA CA C 549 53.829 54.917 -1.088 1
1 415 . 2 1 1 A 40 40 ALA CB C 549 18.330 18.191 0.139 1
1 416 . 2 1 1 A 40 40 ALA N N 549 122.046 122.369 -0.323 1
1 417 . 2 1 1 A 41 41 GLN H H 550 7.825 7.621 0.204 1
1 418 . 2 1 1 A 41 41 GLN HA H 550 4.207 3.935 0.272 1
1 423 . 2 1 1 A 41 41 GLN C C 550 177.115 178.476 -1.361 1
1 424 . 2 1 1 A 41 41 GLN CA C 550 56.917 58.653 -1.736 1
1 425 . 2 1 1 A 41 41 GLN CB C 550 28.948 28.344 0.604 1
1 427 . 2 1 1 A 41 41 GLN N N 550 117.391 117.906 -0.515 1
1 428 . 2 1 1 A 42 42 LYS H H 551 7.905 7.691 0.214 1
1 429 . 2 1 1 A 42 42 LYS HA H 551 4.293 4.025 0.268 1
1 435 . 2 1 1 A 42 42 LYS C C 551 177.498 179.184 -1.686 1
1 436 . 2 1 1 A 42 42 LYS CA C 551 57.298 59.216 -1.918 1
1 437 . 2 1 1 A 42 42 LYS CB C 551 32.903 32.291 0.612 1
1 441 . 2 1 1 A 42 42 LYS N N 551 120.398 120.087 0.311 1
1 442 . 2 1 1 A 43 43 SER H H 552 8.144 8.095 0.049 1
1 443 . 2 1 1 A 43 43 SER HA H 552 4.438 4.167 0.271 1
1 445 . 2 1 1 A 43 43 SER C C 552 174.871 176.977 -2.106 1
1 446 . 2 1 1 A 43 43 SER CA C 552 58.932 61.723 -2.791 1
1 447 . 2 1 1 A 43 43 SER CB C 552 63.785 63.076 0.709 1
1 448 . 2 1 1 A 43 43 SER N N 552 115.839 116.937 -1.098 1
1 449 . 2 1 1 A 44 44 GLU H H 553 8.267 8.540 -0.273 1
1 450 . 2 1 1 A 44 44 GLU HA H 553 4.300 4.040 0.260 1
1 454 . 2 1 1 A 44 44 GLU C C 553 177.103 179.943 -2.840 1
1 455 . 2 1 1 A 44 44 GLU CA C 553 56.940 59.251 -2.311 1
1 456 . 2 1 1 A 44 44 GLU CB C 553 29.992 29.194 0.798 1
1 458 . 2 1 1 A 44 44 GLU N N 553 122.271 121.168 1.103 1
1 459 . 2 1 1 A 45 45 GLY H H 554 8.384 8.405 -0.021 1
1 460 . 2 1 1 A 45 45 GLY HA2 H 554 3.963 3.652 0.311 1
1 461 . 2 1 1 A 45 45 GLY HA3 H 554 3.963 3.660 0.303 1
1 462 . 2 1 1 A 45 45 GLY C C 554 174.201 175.813 -1.612 1
1 463 . 2 1 1 A 45 45 GLY CA C 554 45.474 47.095 -1.621 1
1 464 . 2 1 1 A 45 45 GLY N N 554 109.533 109.645 -0.112 1
1 465 . 2 1 1 A 46 46 LYS H H 555 8.064 8.321 -0.257 1
1 466 . 2 1 1 A 46 46 LYS HA H 555 4.417 4.197 0.220 1
1 472 . 2 1 1 A 46 46 LYS C C 555 176.485 176.454 0.031 1
1 473 . 2 1 1 A 46 46 LYS CA C 555 56.017 58.241 -2.224 1
1 474 . 2 1 1 A 46 46 LYS CB C 555 33.281 32.258 1.023 1
1 477 . 2 1 1 A 46 46 LYS N N 555 120.660 119.076 1.584 1
1 478 . 2 1 1 A 47 47 SER H H 556 8.391 7.503 0.888 1
1 479 . 2 1 1 A 47 47 SER HA H 556 4.562 4.349 0.213 1
1 482 . 2 1 1 A 47 47 SER C C 556 173.556 174.066 -0.510 1
1 483 . 2 1 1 A 47 47 SER CA C 556 58.444 58.386 0.058 1
1 484 . 2 1 1 A 47 47 SER CB C 556 64.149 63.968 0.181 1
1 485 . 2 1 1 A 47 47 SER N N 556 117.900 116.420 1.480 1
1 1 . 3 1 1 A 3 3 VAL H H 512 8.411 7.775 0.636 1
1 2 . 3 1 1 A 3 3 VAL HA H 512 4.140 3.894 0.246 1
1 7 . 3 1 1 A 3 3 VAL C C 512 176.681 178.004 -1.323 1
1 8 . 3 1 1 A 3 3 VAL CA C 512 63.248 64.987 -1.739 1
1 9 . 3 1 1 A 3 3 VAL CB C 512 32.219 31.968 0.251 1
1 11 . 3 1 1 A 3 3 VAL N N 512 121.730 121.523 0.207 1
1 12 . 3 1 1 A 4 4 GLU H H 513 8.552 8.274 0.278 1
1 13 . 3 1 1 A 4 4 GLU HA H 513 4.304 4.096 0.208 1
1 16 . 3 1 1 A 4 4 GLU C C 513 177.624 178.263 -0.639 1
1 17 . 3 1 1 A 4 4 GLU CA C 513 57.945 58.918 -0.973 1
1 18 . 3 1 1 A 4 4 GLU CB C 513 29.784 29.408 0.376 1
1 19 . 3 1 1 A 4 4 GLU N N 513 123.626 120.477 3.149 1
1 20 . 3 1 1 A 5 5 THR H H 514 8.341 8.111 0.230 1
1 21 . 3 1 1 A 5 5 THR HA H 514 4.364 4.076 0.288 1
1 26 . 3 1 1 A 5 5 THR C C 514 175.493 177.171 -1.678 1
1 27 . 3 1 1 A 5 5 THR CA C 514 62.824 65.109 -2.285 1
1 28 . 3 1 1 A 5 5 THR CB C 514 70.032 68.261 1.771 1
1 29 . 3 1 1 A 5 5 THR N N 514 114.159 111.382 2.777 1
1 30 . 3 1 1 A 6 6 CYS H H 515 8.739 8.174 0.565 1
1 31 . 3 1 1 A 6 6 CYS HA H 515 4.692 4.093 0.599 1
1 34 . 3 1 1 A 6 6 CYS C C 515 178.959 176.948 2.011 1
1 35 . 3 1 1 A 6 6 CYS CA C 515 57.420 62.968 -5.548 1
1 36 . 3 1 1 A 6 6 CYS CB C 515 42.167 26.644 15.523 1
1 37 . 3 1 1 A 6 6 CYS N N 515 119.497 120.659 -1.162 1
1 38 . 3 1 1 A 7 7 MET H H 516 8.380 8.457 -0.077 1
1 39 . 3 1 1 A 7 7 MET HA H 516 4.250 4.200 0.050 1
1 44 . 3 1 1 A 7 7 MET C C 516 176.520 178.041 -1.521 1
1 45 . 3 1 1 A 7 7 MET CA C 516 58.813 57.995 0.818 1
1 46 . 3 1 1 A 7 7 MET CB C 516 32.214 31.714 0.500 1
1 47 . 3 1 1 A 7 7 MET N N 516 120.287 122.086 -1.799 1
1 48 . 3 1 1 A 8 8 SER H H 517 8.409 8.073 0.336 1
1 49 . 3 1 1 A 8 8 SER HA H 517 4.339 4.108 0.231 1
1 51 . 3 1 1 A 8 8 SER C C 517 177.818 176.566 1.252 1
1 52 . 3 1 1 A 8 8 SER CA C 517 61.119 62.317 -1.198 1
1 53 . 3 1 1 A 8 8 SER CB C 517 62.384 63.040 -0.656 1
1 54 . 3 1 1 A 8 8 SER N N 517 116.219 115.610 0.609 1
1 55 . 3 1 1 A 9 9 LEU H H 518 8.017 7.937 0.080 1
1 56 . 3 1 1 A 9 9 LEU HA H 518 4.144 4.015 0.129 1
1 66 . 3 1 1 A 9 9 LEU C C 518 178.577 179.085 -0.508 1
1 67 . 3 1 1 A 9 9 LEU CA C 518 57.927 57.961 -0.034 1
1 68 . 3 1 1 A 9 9 LEU CB C 518 42.987 41.350 1.637 1
1 70 . 3 1 1 A 9 9 LEU N N 518 122.883 120.281 2.602 1
1 71 . 3 1 1 A 10 10 ALA H H 519 8.085 8.438 -0.353 1
1 72 . 3 1 1 A 10 10 ALA HA H 519 4.044 3.987 0.057 1
1 76 . 3 1 1 A 10 10 ALA C C 519 180.731 179.324 1.407 1
1 77 . 3 1 1 A 10 10 ALA CA C 519 55.810 55.360 0.450 1
1 78 . 3 1 1 A 10 10 ALA CB C 519 17.616 17.493 0.123 1
1 79 . 3 1 1 A 10 10 ALA N N 519 121.112 122.196 -1.084 1
1 80 . 3 1 1 A 11 11 SER H H 520 7.998 8.222 -0.224 1
1 81 . 3 1 1 A 11 11 SER HA H 520 4.283 4.188 0.095 1
1 83 . 3 1 1 A 11 11 SER C C 520 177.283 176.253 1.030 1
1 84 . 3 1 1 A 11 11 SER CA C 520 61.279 61.390 -0.111 1
1 85 . 3 1 1 A 11 11 SER CB C 520 62.764 63.034 -0.270 1
1 86 . 3 1 1 A 11 11 SER N N 520 113.163 112.881 0.282 1
1 87 . 3 1 1 A 12 12 GLN H H 521 8.082 8.244 -0.162 1
1 88 . 3 1 1 A 12 12 GLN HA H 521 4.163 3.981 0.182 1
1 93 . 3 1 1 A 12 12 GLN C C 521 178.439 178.334 0.105 1
1 94 . 3 1 1 A 12 12 GLN CA C 521 59.321 58.621 0.700 1
1 95 . 3 1 1 A 12 12 GLN CB C 521 28.932 28.518 0.414 1
1 97 . 3 1 1 A 12 12 GLN N N 521 123.452 121.342 2.110 1
1 98 . 3 1 1 A 13 13 VAL H H 522 8.289 8.128 0.161 1
1 99 . 3 1 1 A 13 13 VAL HA H 522 3.489 3.662 -0.173 1
1 107 . 3 1 1 A 13 13 VAL C C 522 179.392 178.378 1.014 1
1 108 . 3 1 1 A 13 13 VAL CA C 522 67.895 66.412 1.483 1
1 109 . 3 1 1 A 13 13 VAL CB C 522 31.597 31.481 0.116 1
1 112 . 3 1 1 A 13 13 VAL N N 522 119.508 119.723 -0.215 1
1 113 . 3 1 1 A 14 14 VAL H H 523 7.651 8.312 -0.661 1
1 114 . 3 1 1 A 14 14 VAL HA H 523 3.674 3.562 0.112 1
1 122 . 3 1 1 A 14 14 VAL C C 523 178.592 177.891 0.701 1
1 123 . 3 1 1 A 14 14 VAL CA C 523 67.190 66.611 0.579 1
1 124 . 3 1 1 A 14 14 VAL CB C 523 31.892 31.570 0.322 1
1 126 . 3 1 1 A 14 14 VAL N N 523 122.425 120.528 1.897 1
1 127 . 3 1 1 A 15 15 LYS H H 524 7.919 8.167 -0.248 1
1 128 . 3 1 1 A 15 15 LYS HA H 524 4.066 3.934 0.132 1
1 134 . 3 1 1 A 15 15 LYS C C 524 179.521 179.641 -0.120 1
1 135 . 3 1 1 A 15 15 LYS CA C 524 60.001 59.788 0.213 1
1 136 . 3 1 1 A 15 15 LYS CB C 524 32.693 32.260 0.433 1
1 139 . 3 1 1 A 15 15 LYS N N 524 120.960 119.409 1.551 1
1 140 . 3 1 1 A 16 16 LEU H H 525 8.939 8.269 0.670 1
1 141 . 3 1 1 A 16 16 LEU HA H 525 4.164 4.061 0.103 1
1 148 . 3 1 1 A 16 16 LEU C C 525 179.118 179.241 -0.123 1
1 149 . 3 1 1 A 16 16 LEU CA C 525 58.071 57.876 0.195 1
1 150 . 3 1 1 A 16 16 LEU CB C 525 43.853 41.682 2.171 1
1 153 . 3 1 1 A 16 16 LEU N N 525 119.646 120.461 -0.815 1
1 154 . 3 1 1 A 17 17 THR H H 526 8.311 8.406 -0.095 1
1 155 . 3 1 1 A 17 17 THR HA H 526 3.822 3.950 -0.128 1
1 160 . 3 1 1 A 17 17 THR C C 526 176.638 176.620 0.018 1
1 161 . 3 1 1 A 17 17 THR CA C 526 67.923 65.286 2.637 1
1 162 . 3 1 1 A 17 17 THR CB C 526 68.655 68.637 0.018 1
1 164 . 3 1 1 A 17 17 THR N N 526 115.841 112.979 2.862 1
1 165 . 3 1 1 A 18 18 LYS H H 527 7.717 8.254 -0.537 1
1 166 . 3 1 1 A 18 18 LYS HA H 527 4.112 3.962 0.150 1
1 173 . 3 1 1 A 18 18 LYS CA C 527 59.922 59.544 0.378 1
1 174 . 3 1 1 A 18 18 LYS CB C 527 32.354 32.366 -0.012 1
1 176 . 3 1 1 A 18 18 LYS N N 527 123.034 120.458 2.576 1
1 177 . 3 1 1 A 19 19 GLN H H 528 8.319 7.966 0.353 1
1 178 . 3 1 1 A 19 19 GLN HA H 528 4.149 4.061 0.088 1
1 181 . 3 1 1 A 19 19 GLN C C 528 179.236 178.741 0.495 1
1 182 . 3 1 1 A 19 19 GLN CA C 528 59.397 58.638 0.759 1
1 183 . 3 1 1 A 19 19 GLN CB C 528 29.175 27.989 1.186 1
1 184 . 3 1 1 A 19 19 GLN N N 528 119.343 118.695 0.648 1
1 185 . 3 1 1 A 20 20 LEU H H 529 8.869 8.460 0.409 1
1 186 . 3 1 1 A 20 20 LEU HA H 529 4.102 3.983 0.119 1
1 192 . 3 1 1 A 20 20 LEU C C 529 179.709 179.296 0.413 1
1 193 . 3 1 1 A 20 20 LEU CA C 529 58.277 57.879 0.398 1
1 194 . 3 1 1 A 20 20 LEU CB C 529 41.808 41.472 0.336 1
1 195 . 3 1 1 A 20 20 LEU N N 529 121.333 119.655 1.678 1
1 196 . 3 1 1 A 21 21 LYS H H 530 8.126 8.030 0.096 1
1 197 . 3 1 1 A 21 21 LYS HA H 530 4.097 3.838 0.259 1
1 199 . 3 1 1 A 21 21 LYS C C 530 178.925 179.661 -0.736 1
1 200 . 3 1 1 A 21 21 LYS CA C 530 60.168 60.440 -0.272 1
1 201 . 3 1 1 A 21 21 LYS CB C 530 31.957 32.239 -0.282 1
1 202 . 3 1 1 A 21 21 LYS N N 530 122.900 117.380 5.520 1
1 203 . 3 1 1 A 22 22 GLU H H 531 8.138 8.083 0.055 1
1 204 . 3 1 1 A 22 22 GLU HA H 531 4.064 4.085 -0.021 1
1 208 . 3 1 1 A 22 22 GLU C C 531 179.710 179.655 0.055 1
1 209 . 3 1 1 A 22 22 GLU CA C 531 59.532 59.177 0.355 1
1 210 . 3 1 1 A 22 22 GLU CB C 531 29.446 29.382 0.064 1
1 212 . 3 1 1 A 22 22 GLU N N 531 118.589 119.032 -0.443 1
1 213 . 3 1 1 A 23 23 GLN H H 532 8.457 8.289 0.168 1
1 214 . 3 1 1 A 23 23 GLN HA H 532 4.139 4.096 0.043 1
1 216 . 3 1 1 A 23 23 GLN C C 532 178.498 178.727 -0.229 1
1 217 . 3 1 1 A 23 23 GLN CA C 532 58.563 58.611 -0.048 1
1 218 . 3 1 1 A 23 23 GLN CB C 532 28.911 28.104 0.807 1
1 219 . 3 1 1 A 23 23 GLN N N 532 118.059 120.054 -1.995 1
1 220 . 3 1 1 A 24 24 THR H H 533 8.325 8.114 0.211 1
1 221 . 3 1 1 A 24 24 THR HA H 533 4.106 4.006 0.100 1
1 226 . 3 1 1 A 24 24 THR C C 533 175.780 176.465 -0.685 1
1 227 . 3 1 1 A 24 24 THR CA C 533 67.023 67.037 -0.014 1
1 229 . 3 1 1 A 24 24 THR N N 533 117.397 117.290 0.107 1
1 230 . 3 1 1 A 25 25 VAL H H 534 7.935 7.861 0.074 1
1 231 . 3 1 1 A 25 25 VAL HA H 534 3.696 3.719 -0.023 1
1 239 . 3 1 1 A 25 25 VAL C C 534 179.333 177.843 1.490 1
1 240 . 3 1 1 A 25 25 VAL CA C 534 66.691 66.020 0.671 1
1 243 . 3 1 1 A 25 25 VAL N N 534 121.196 117.520 3.676 1
1 244 . 3 1 1 A 26 26 GLU H H 535 7.814 8.303 -0.489 1
1 245 . 3 1 1 A 26 26 GLU HA H 535 4.113 4.012 0.101 1
1 249 . 3 1 1 A 26 26 GLU C C 535 178.221 178.854 -0.633 1
1 250 . 3 1 1 A 26 26 GLU CA C 535 59.597 58.970 0.627 1
1 251 . 3 1 1 A 26 26 GLU CB C 535 29.298 29.029 0.269 1
1 253 . 3 1 1 A 26 26 GLU N N 535 120.430 121.029 -0.599 1
1 254 . 3 1 1 A 27 27 ARG H H 536 8.367 7.997 0.370 1
1 255 . 3 1 1 A 27 27 ARG HA H 536 3.906 4.112 -0.206 1
1 260 . 3 1 1 A 27 27 ARG C C 536 178.119 178.527 -0.408 1
1 261 . 3 1 1 A 27 27 ARG CA C 536 60.845 58.847 1.998 1
1 262 . 3 1 1 A 27 27 ARG CB C 536 27.361 29.718 -2.357 1
1 265 . 3 1 1 A 27 27 ARG N N 536 120.564 120.173 0.391 1
1 266 . 3 1 1 A 28 28 VAL H H 537 8.452 8.141 0.311 1
1 267 . 3 1 1 A 28 28 VAL HA H 537 3.691 3.805 -0.114 1
1 275 . 3 1 1 A 28 28 VAL C C 537 178.392 178.286 0.106 1
1 276 . 3 1 1 A 28 28 VAL CA C 537 66.670 65.479 1.191 1
1 277 . 3 1 1 A 28 28 VAL CB C 537 31.795 31.649 0.146 1
1 280 . 3 1 1 A 28 28 VAL N N 537 120.076 118.829 1.247 1
1 281 . 3 1 1 A 29 29 THR H H 538 8.165 7.967 0.198 1
1 282 . 3 1 1 A 29 29 THR HA H 538 3.985 3.946 0.039 1
1 287 . 3 1 1 A 29 29 THR C C 538 177.201 176.502 0.699 1
1 288 . 3 1 1 A 29 29 THR CA C 538 66.936 66.911 0.025 1
1 289 . 3 1 1 A 29 29 THR CB C 538 68.772 67.862 0.910 1
1 291 . 3 1 1 A 29 29 THR N N 538 117.307 117.071 0.236 1
1 292 . 3 1 1 A 30 30 LEU H H 539 8.145 8.693 -0.548 1
1 293 . 3 1 1 A 30 30 LEU HA H 539 4.181 3.977 0.204 1
1 303 . 3 1 1 A 30 30 LEU C C 539 178.786 178.739 0.047 1
1 304 . 3 1 1 A 30 30 LEU CA C 539 58.312 58.178 0.134 1
1 305 . 3 1 1 A 30 30 LEU CB C 539 42.965 41.564 1.401 1
1 308 . 3 1 1 A 30 30 LEU N N 539 122.885 121.594 1.291 1
1 309 . 3 1 1 A 31 31 GLN H H 540 8.739 8.607 0.132 1
1 310 . 3 1 1 A 31 31 GLN HA H 540 3.976 3.974 0.002 1
1 315 . 3 1 1 A 31 31 GLN C C 540 179.052 178.620 0.432 1
1 316 . 3 1 1 A 31 31 GLN CA C 540 59.485 59.210 0.275 1
1 317 . 3 1 1 A 31 31 GLN CB C 540 28.488 28.247 0.241 1
1 319 . 3 1 1 A 31 31 GLN N N 540 119.660 117.727 1.933 1
1 320 . 3 1 1 A 32 32 ASN H H 541 8.467 8.149 0.318 1
1 321 . 3 1 1 A 32 32 ASN HA H 541 4.532 4.438 0.094 1
1 324 . 3 1 1 A 32 32 ASN C C 541 178.095 177.873 0.222 1
1 325 . 3 1 1 A 32 32 ASN CA C 541 56.010 56.399 -0.389 1
1 326 . 3 1 1 A 32 32 ASN CB C 541 37.881 39.120 -1.239 1
1 327 . 3 1 1 A 32 32 ASN N N 541 118.499 117.656 0.843 1
1 328 . 3 1 1 A 33 33 GLN H H 542 8.158 7.975 0.183 1
1 329 . 3 1 1 A 33 33 GLN HA H 542 4.029 4.064 -0.035 1
1 333 . 3 1 1 A 33 33 GLN C C 542 178.763 178.832 -0.069 1
1 334 . 3 1 1 A 33 33 GLN CA C 542 58.964 59.001 -0.037 1
1 335 . 3 1 1 A 33 33 GLN CB C 542 28.949 28.176 0.773 1
1 337 . 3 1 1 A 33 33 GLN N N 542 121.150 118.397 2.753 1
1 338 . 3 1 1 A 34 34 LEU H H 543 8.606 8.934 -0.328 1
1 339 . 3 1 1 A 34 34 LEU HA H 543 4.140 4.261 -0.121 1
1 349 . 3 1 1 A 34 34 LEU C C 543 178.395 178.349 0.046 1
1 350 . 3 1 1 A 34 34 LEU CA C 543 58.323 57.675 0.648 1
1 351 . 3 1 1 A 34 34 LEU CB C 543 41.979 41.601 0.378 1
1 355 . 3 1 1 A 34 34 LEU N N 543 120.557 121.193 -0.636 1
1 356 . 3 1 1 A 35 35 GLN H H 544 8.170 8.813 -0.643 1
1 357 . 3 1 1 A 35 35 GLN HA H 544 3.969 3.958 0.011 1
1 361 . 3 1 1 A 35 35 GLN C C 544 178.194 178.623 -0.429 1
1 362 . 3 1 1 A 35 35 GLN CA C 544 59.060 59.495 -0.435 1
1 363 . 3 1 1 A 35 35 GLN CB C 544 28.046 28.221 -0.175 1
1 365 . 3 1 1 A 35 35 GLN N N 544 117.978 118.912 -0.934 1
1 366 . 3 1 1 A 36 36 GLN H H 545 7.786 7.911 -0.125 1
1 367 . 3 1 1 A 36 36 GLN HA H 545 4.024 4.102 -0.078 1
1 371 . 3 1 1 A 36 36 GLN C C 545 178.864 178.209 0.655 1
1 372 . 3 1 1 A 36 36 GLN CA C 545 58.857 58.886 -0.029 1
1 373 . 3 1 1 A 36 36 GLN CB C 545 28.112 28.550 -0.438 1
1 375 . 3 1 1 A 36 36 GLN N N 545 116.904 118.477 -1.573 1
1 376 . 3 1 1 A 37 37 PHE H H 546 7.734 8.562 -0.828 1
1 377 . 3 1 1 A 37 37 PHE HA H 546 4.233 4.242 -0.009 1
1 382 . 3 1 1 A 37 37 PHE C C 546 178.078 177.525 0.553 1
1 383 . 3 1 1 A 37 37 PHE CA C 546 60.681 61.107 -0.426 1
1 384 . 3 1 1 A 37 37 PHE CB C 546 38.124 39.195 -1.071 1
1 385 . 3 1 1 A 37 37 PHE N N 546 119.594 122.164 -2.570 1
1 386 . 3 1 1 A 38 38 LEU H H 547 8.240 8.693 -0.453 1
1 387 . 3 1 1 A 38 38 LEU HA H 547 4.037 3.498 0.539 1
1 394 . 3 1 1 A 38 38 LEU C C 547 180.193 178.633 1.560 1
1 395 . 3 1 1 A 38 38 LEU CA C 547 57.303 58.234 -0.931 1
1 396 . 3 1 1 A 38 38 LEU CB C 547 41.519 41.319 0.200 1
1 398 . 3 1 1 A 38 38 LEU N N 547 119.925 118.931 0.994 1
1 399 . 3 1 1 A 39 39 GLU H H 548 8.273 8.201 0.072 1
1 400 . 3 1 1 A 39 39 GLU HA H 548 4.083 3.956 0.127 1
1 403 . 3 1 1 A 39 39 GLU C C 548 178.417 179.191 -0.774 1
1 404 . 3 1 1 A 39 39 GLU CA C 548 58.494 59.553 -1.059 1
1 405 . 3 1 1 A 39 39 GLU CB C 548 29.238 29.286 -0.048 1
1 407 . 3 1 1 A 39 39 GLU N N 548 119.463 119.410 0.053 1
1 408 . 3 1 1 A 40 40 ALA H H 549 7.714 8.365 -0.651 1
1 409 . 3 1 1 A 40 40 ALA HA H 549 4.244 3.972 0.272 1
1 413 . 3 1 1 A 40 40 ALA C C 549 179.123 179.959 -0.836 1
1 414 . 3 1 1 A 40 40 ALA CA C 549 53.829 55.542 -1.713 1
1 415 . 3 1 1 A 40 40 ALA CB C 549 18.330 18.106 0.224 1
1 416 . 3 1 1 A 40 40 ALA N N 549 122.046 122.562 -0.516 1
1 417 . 3 1 1 A 41 41 GLN H H 550 7.825 8.046 -0.221 1
1 418 . 3 1 1 A 41 41 GLN HA H 550 4.207 3.952 0.255 1
1 423 . 3 1 1 A 41 41 GLN C C 550 177.115 178.485 -1.370 1
1 424 . 3 1 1 A 41 41 GLN CA C 550 56.917 58.457 -1.540 1
1 425 . 3 1 1 A 41 41 GLN CB C 550 28.948 28.300 0.648 1
1 427 . 3 1 1 A 41 41 GLN N N 550 117.391 117.166 0.225 1
1 428 . 3 1 1 A 42 42 LYS H H 551 7.905 7.636 0.269 1
1 429 . 3 1 1 A 42 42 LYS HA H 551 4.293 4.019 0.274 1
1 435 . 3 1 1 A 42 42 LYS C C 551 177.498 179.498 -2.000 1
1 436 . 3 1 1 A 42 42 LYS CA C 551 57.298 59.264 -1.966 1
1 437 . 3 1 1 A 42 42 LYS CB C 551 32.903 32.419 0.484 1
1 441 . 3 1 1 A 42 42 LYS N N 551 120.398 120.718 -0.320 1
1 442 . 3 1 1 A 43 43 SER H H 552 8.144 7.971 0.173 1
1 443 . 3 1 1 A 43 43 SER HA H 552 4.438 4.109 0.329 1
1 445 . 3 1 1 A 43 43 SER C C 552 174.871 176.998 -2.127 1
1 446 . 3 1 1 A 43 43 SER CA C 552 58.932 62.037 -3.105 1
1 447 . 3 1 1 A 43 43 SER CB C 552 63.785 62.920 0.865 1
1 448 . 3 1 1 A 43 43 SER N N 552 115.839 117.824 -1.985 1
1 449 . 3 1 1 A 44 44 GLU H H 553 8.267 8.602 -0.335 1
1 450 . 3 1 1 A 44 44 GLU HA H 553 4.300 4.049 0.251 1
1 454 . 3 1 1 A 44 44 GLU C C 553 177.103 180.009 -2.906 1
1 455 . 3 1 1 A 44 44 GLU CA C 553 56.940 59.260 -2.320 1
1 456 . 3 1 1 A 44 44 GLU CB C 553 29.992 29.123 0.869 1
1 458 . 3 1 1 A 44 44 GLU N N 553 122.271 121.470 0.801 1
1 459 . 3 1 1 A 45 45 GLY H H 554 8.384 8.290 0.094 1
1 460 . 3 1 1 A 45 45 GLY HA2 H 554 3.963 3.663 0.300 1
1 461 . 3 1 1 A 45 45 GLY HA3 H 554 3.963 3.671 0.292 1
1 462 . 3 1 1 A 45 45 GLY C C 554 174.201 176.165 -1.964 1
1 463 . 3 1 1 A 45 45 GLY CA C 554 45.474 46.564 -1.090 1
1 464 . 3 1 1 A 45 45 GLY N N 554 109.533 109.772 -0.239 1
1 465 . 3 1 1 A 46 46 LYS H H 555 8.064 8.520 -0.456 1
1 466 . 3 1 1 A 46 46 LYS HA H 555 4.417 4.099 0.318 1
1 472 . 3 1 1 A 46 46 LYS C C 555 176.485 176.510 -0.025 1
1 473 . 3 1 1 A 46 46 LYS CA C 555 56.017 58.561 -2.544 1
1 474 . 3 1 1 A 46 46 LYS CB C 555 33.281 31.716 1.565 1
1 477 . 3 1 1 A 46 46 LYS N N 555 120.660 119.296 1.364 1
1 478 . 3 1 1 A 47 47 SER H H 556 8.391 7.279 1.112 1
1 479 . 3 1 1 A 47 47 SER HA H 556 4.562 4.630 -0.068 1
1 482 . 3 1 1 A 47 47 SER C C 556 173.556 173.803 -0.247 1
1 483 . 3 1 1 A 47 47 SER CA C 556 58.444 55.882 2.562 1
1 484 . 3 1 1 A 47 47 SER CB C 556 64.149 65.407 -1.258 1
1 485 . 3 1 1 A 47 47 SER N N 556 117.900 116.178 1.722 1
1 1 . 4 1 1 A 3 3 VAL H H 512 8.411 7.743 0.668 1
1 2 . 4 1 1 A 3 3 VAL HA H 512 4.140 3.981 0.159 1
1 7 . 4 1 1 A 3 3 VAL C C 512 176.681 177.946 -1.265 1
1 8 . 4 1 1 A 3 3 VAL CA C 512 63.248 64.797 -1.549 1
1 9 . 4 1 1 A 3 3 VAL CB C 512 32.219 32.293 -0.074 1
1 11 . 4 1 1 A 3 3 VAL N N 512 121.730 119.718 2.012 1
1 12 . 4 1 1 A 4 4 GLU H H 513 8.552 8.280 0.272 1
1 13 . 4 1 1 A 4 4 GLU HA H 513 4.304 4.060 0.244 1
1 16 . 4 1 1 A 4 4 GLU C C 513 177.624 178.269 -0.645 1
1 17 . 4 1 1 A 4 4 GLU CA C 513 57.945 58.631 -0.686 1
1 18 . 4 1 1 A 4 4 GLU CB C 513 29.784 28.963 0.821 1
1 19 . 4 1 1 A 4 4 GLU N N 513 123.626 120.188 3.438 1
1 20 . 4 1 1 A 5 5 THR H H 514 8.341 8.090 0.251 1
1 21 . 4 1 1 A 5 5 THR HA H 514 4.364 4.050 0.314 1
1 26 . 4 1 1 A 5 5 THR C C 514 175.493 177.196 -1.703 1
1 27 . 4 1 1 A 5 5 THR CA C 514 62.824 65.213 -2.389 1
1 28 . 4 1 1 A 5 5 THR CB C 514 70.032 68.198 1.834 1
1 29 . 4 1 1 A 5 5 THR N N 514 114.159 112.215 1.944 1
1 30 . 4 1 1 A 6 6 CYS H H 515 8.739 8.312 0.427 1
1 31 . 4 1 1 A 6 6 CYS HA H 515 4.692 4.216 0.476 1
1 34 . 4 1 1 A 6 6 CYS C C 515 178.959 177.049 1.910 1
1 35 . 4 1 1 A 6 6 CYS CA C 515 57.420 62.694 -5.274 1
1 36 . 4 1 1 A 6 6 CYS CB C 515 42.167 26.963 15.204 1
1 37 . 4 1 1 A 6 6 CYS N N 515 119.497 120.853 -1.356 1
1 38 . 4 1 1 A 7 7 MET H H 516 8.380 8.524 -0.144 1
1 39 . 4 1 1 A 7 7 MET HA H 516 4.250 4.164 0.086 1
1 44 . 4 1 1 A 7 7 MET C C 516 176.520 178.208 -1.688 1
1 45 . 4 1 1 A 7 7 MET CA C 516 58.813 58.119 0.694 1
1 46 . 4 1 1 A 7 7 MET CB C 516 32.214 32.085 0.129 1
1 47 . 4 1 1 A 7 7 MET N N 516 120.287 121.918 -1.631 1
1 48 . 4 1 1 A 8 8 SER H H 517 8.409 7.964 0.445 1
1 49 . 4 1 1 A 8 8 SER HA H 517 4.339 4.261 0.078 1
1 51 . 4 1 1 A 8 8 SER C C 517 177.818 176.695 1.123 1
1 52 . 4 1 1 A 8 8 SER CA C 517 61.119 61.161 -0.042 1
1 53 . 4 1 1 A 8 8 SER CB C 517 62.384 62.934 -0.550 1
1 54 . 4 1 1 A 8 8 SER N N 517 116.219 114.324 1.895 1
1 55 . 4 1 1 A 9 9 LEU H H 518 8.017 7.535 0.482 1
1 56 . 4 1 1 A 9 9 LEU HA H 518 4.144 4.012 0.132 1
1 66 . 4 1 1 A 9 9 LEU C C 518 178.577 179.146 -0.569 1
1 67 . 4 1 1 A 9 9 LEU CA C 518 57.927 57.824 0.103 1
1 68 . 4 1 1 A 9 9 LEU CB C 518 42.987 41.245 1.742 1
1 70 . 4 1 1 A 9 9 LEU N N 518 122.883 119.950 2.933 1
1 71 . 4 1 1 A 10 10 ALA H H 519 8.085 8.452 -0.367 1
1 72 . 4 1 1 A 10 10 ALA HA H 519 4.044 4.077 -0.033 1
1 76 . 4 1 1 A 10 10 ALA C C 519 180.731 179.711 1.020 1
1 77 . 4 1 1 A 10 10 ALA CA C 519 55.810 55.260 0.550 1
1 78 . 4 1 1 A 10 10 ALA CB C 519 17.616 17.846 -0.230 1
1 79 . 4 1 1 A 10 10 ALA N N 519 121.112 122.041 -0.929 1
1 80 . 4 1 1 A 11 11 SER H H 520 7.998 8.037 -0.039 1
1 81 . 4 1 1 A 11 11 SER HA H 520 4.283 4.128 0.155 1
1 83 . 4 1 1 A 11 11 SER C C 520 177.283 177.278 0.005 1
1 84 . 4 1 1 A 11 11 SER CA C 520 61.279 61.137 0.142 1
1 85 . 4 1 1 A 11 11 SER CB C 520 62.764 63.001 -0.237 1
1 86 . 4 1 1 A 11 11 SER N N 520 113.163 113.257 -0.094 1
1 87 . 4 1 1 A 12 12 GLN H H 521 8.082 7.755 0.327 1
1 88 . 4 1 1 A 12 12 GLN HA H 521 4.163 4.044 0.119 1
1 93 . 4 1 1 A 12 12 GLN C C 521 178.439 178.577 -0.138 1
1 94 . 4 1 1 A 12 12 GLN CA C 521 59.321 59.018 0.303 1
1 95 . 4 1 1 A 12 12 GLN CB C 521 28.932 28.271 0.661 1
1 97 . 4 1 1 A 12 12 GLN N N 521 123.452 121.726 1.726 1
1 98 . 4 1 1 A 13 13 VAL H H 522 8.289 8.059 0.230 1
1 99 . 4 1 1 A 13 13 VAL HA H 522 3.489 3.654 -0.165 1
1 107 . 4 1 1 A 13 13 VAL C C 522 179.392 178.305 1.087 1
1 108 . 4 1 1 A 13 13 VAL CA C 522 67.895 66.344 1.551 1
1 109 . 4 1 1 A 13 13 VAL CB C 522 31.597 31.529 0.068 1
1 112 . 4 1 1 A 13 13 VAL N N 522 119.508 120.099 -0.591 1
1 113 . 4 1 1 A 14 14 VAL H H 523 7.651 8.331 -0.680 1
1 114 . 4 1 1 A 14 14 VAL HA H 523 3.674 3.555 0.119 1
1 122 . 4 1 1 A 14 14 VAL C C 523 178.592 178.001 0.591 1
1 123 . 4 1 1 A 14 14 VAL CA C 523 67.190 66.550 0.640 1
1 124 . 4 1 1 A 14 14 VAL CB C 523 31.892 31.397 0.495 1
1 126 . 4 1 1 A 14 14 VAL N N 523 122.425 120.446 1.979 1
1 127 . 4 1 1 A 15 15 LYS H H 524 7.919 8.105 -0.186 1
1 128 . 4 1 1 A 15 15 LYS HA H 524 4.066 3.939 0.127 1
1 134 . 4 1 1 A 15 15 LYS C C 524 179.521 179.484 0.037 1
1 135 . 4 1 1 A 15 15 LYS CA C 524 60.001 59.978 0.023 1
1 136 . 4 1 1 A 15 15 LYS CB C 524 32.693 32.392 0.301 1
1 139 . 4 1 1 A 15 15 LYS N N 524 120.960 120.131 0.829 1
1 140 . 4 1 1 A 16 16 LEU H H 525 8.939 8.276 0.663 1
1 141 . 4 1 1 A 16 16 LEU HA H 525 4.164 4.004 0.160 1
1 148 . 4 1 1 A 16 16 LEU C C 525 179.118 179.458 -0.340 1
1 149 . 4 1 1 A 16 16 LEU CA C 525 58.071 57.778 0.293 1
1 150 . 4 1 1 A 16 16 LEU CB C 525 43.853 41.996 1.857 1
1 153 . 4 1 1 A 16 16 LEU N N 525 119.646 120.186 -0.540 1
1 154 . 4 1 1 A 17 17 THR H H 526 8.311 8.404 -0.093 1
1 155 . 4 1 1 A 17 17 THR HA H 526 3.822 3.954 -0.132 1
1 160 . 4 1 1 A 17 17 THR C C 526 176.638 176.085 0.553 1
1 161 . 4 1 1 A 17 17 THR CA C 526 67.923 66.994 0.929 1
1 162 . 4 1 1 A 17 17 THR CB C 526 68.655 68.083 0.572 1
1 164 . 4 1 1 A 17 17 THR N N 526 115.841 116.551 -0.710 1
1 165 . 4 1 1 A 18 18 LYS H H 527 7.717 8.944 -1.227 1
1 166 . 4 1 1 A 18 18 LYS HA H 527 4.112 3.910 0.202 1
1 173 . 4 1 1 A 18 18 LYS CA C 527 59.922 59.706 0.216 1
1 174 . 4 1 1 A 18 18 LYS CB C 527 32.354 32.310 0.044 1
1 176 . 4 1 1 A 18 18 LYS N N 527 123.034 121.593 1.441 1
1 177 . 4 1 1 A 19 19 GLN H H 528 8.319 8.094 0.225 1
1 178 . 4 1 1 A 19 19 GLN HA H 528 4.149 4.015 0.134 1
1 181 . 4 1 1 A 19 19 GLN C C 528 179.236 178.727 0.509 1
1 182 . 4 1 1 A 19 19 GLN CA C 528 59.397 58.879 0.518 1
1 183 . 4 1 1 A 19 19 GLN CB C 528 29.175 28.127 1.048 1
1 184 . 4 1 1 A 19 19 GLN N N 528 119.343 118.509 0.834 1
1 185 . 4 1 1 A 20 20 LEU H H 529 8.869 8.458 0.411 1
1 186 . 4 1 1 A 20 20 LEU HA H 529 4.102 4.001 0.101 1
1 192 . 4 1 1 A 20 20 LEU C C 529 179.709 178.975 0.734 1
1 193 . 4 1 1 A 20 20 LEU CA C 529 58.277 57.894 0.383 1
1 194 . 4 1 1 A 20 20 LEU CB C 529 41.808 41.474 0.334 1
1 195 . 4 1 1 A 20 20 LEU N N 529 121.333 120.281 1.052 1
1 196 . 4 1 1 A 21 21 LYS H H 530 8.126 8.300 -0.174 1
1 197 . 4 1 1 A 21 21 LYS HA H 530 4.097 3.929 0.168 1
1 199 . 4 1 1 A 21 21 LYS C C 530 178.925 178.899 0.026 1
1 200 . 4 1 1 A 21 21 LYS CA C 530 60.168 59.959 0.209 1
1 201 . 4 1 1 A 21 21 LYS CB C 530 31.957 32.536 -0.579 1
1 202 . 4 1 1 A 21 21 LYS N N 530 122.900 120.256 2.644 1
1 203 . 4 1 1 A 22 22 GLU H H 531 8.138 8.444 -0.306 1
1 204 . 4 1 1 A 22 22 GLU HA H 531 4.064 4.093 -0.029 1
1 208 . 4 1 1 A 22 22 GLU C C 531 179.710 179.679 0.031 1
1 209 . 4 1 1 A 22 22 GLU CA C 531 59.532 59.119 0.413 1
1 210 . 4 1 1 A 22 22 GLU CB C 531 29.446 29.470 -0.024 1
1 212 . 4 1 1 A 22 22 GLU N N 531 118.589 118.912 -0.323 1
1 213 . 4 1 1 A 23 23 GLN H H 532 8.457 8.158 0.299 1
1 214 . 4 1 1 A 23 23 GLN HA H 532 4.139 4.065 0.074 1
1 216 . 4 1 1 A 23 23 GLN C C 532 178.498 178.680 -0.182 1
1 217 . 4 1 1 A 23 23 GLN CA C 532 58.563 58.611 -0.048 1
1 218 . 4 1 1 A 23 23 GLN CB C 532 28.911 28.076 0.835 1
1 219 . 4 1 1 A 23 23 GLN N N 532 118.059 120.040 -1.981 1
1 220 . 4 1 1 A 24 24 THR H H 533 8.325 8.010 0.315 1
1 221 . 4 1 1 A 24 24 THR HA H 533 4.106 4.014 0.092 1
1 226 . 4 1 1 A 24 24 THR C C 533 175.780 176.152 -0.372 1
1 227 . 4 1 1 A 24 24 THR CA C 533 67.023 66.973 0.050 1
1 229 . 4 1 1 A 24 24 THR N N 533 117.397 117.265 0.132 1
1 230 . 4 1 1 A 25 25 VAL H H 534 7.935 8.090 -0.155 1
1 231 . 4 1 1 A 25 25 VAL HA H 534 3.696 3.736 -0.040 1
1 239 . 4 1 1 A 25 25 VAL C C 534 179.333 177.856 1.477 1
1 240 . 4 1 1 A 25 25 VAL CA C 534 66.691 65.890 0.801 1
1 243 . 4 1 1 A 25 25 VAL N N 534 121.196 117.425 3.771 1
1 244 . 4 1 1 A 26 26 GLU H H 535 7.814 8.327 -0.513 1
1 245 . 4 1 1 A 26 26 GLU HA H 535 4.113 4.046 0.067 1
1 249 . 4 1 1 A 26 26 GLU C C 535 178.221 178.786 -0.565 1
1 250 . 4 1 1 A 26 26 GLU CA C 535 59.597 59.065 0.532 1
1 251 . 4 1 1 A 26 26 GLU CB C 535 29.298 29.048 0.250 1
1 253 . 4 1 1 A 26 26 GLU N N 535 120.430 121.023 -0.593 1
1 254 . 4 1 1 A 27 27 ARG H H 536 8.367 7.726 0.641 1
1 255 . 4 1 1 A 27 27 ARG HA H 536 3.906 4.139 -0.233 1
1 260 . 4 1 1 A 27 27 ARG C C 536 178.119 178.524 -0.405 1
1 261 . 4 1 1 A 27 27 ARG CA C 536 60.845 58.741 2.104 1
1 262 . 4 1 1 A 27 27 ARG CB C 536 27.361 29.875 -2.514 1
1 265 . 4 1 1 A 27 27 ARG N N 536 120.564 120.110 0.454 1
1 266 . 4 1 1 A 28 28 VAL H H 537 8.452 8.347 0.105 1
1 267 . 4 1 1 A 28 28 VAL HA H 537 3.691 3.807 -0.116 1
1 275 . 4 1 1 A 28 28 VAL C C 537 178.392 178.243 0.149 1
1 276 . 4 1 1 A 28 28 VAL CA C 537 66.670 65.501 1.169 1
1 277 . 4 1 1 A 28 28 VAL CB C 537 31.795 31.617 0.178 1
1 280 . 4 1 1 A 28 28 VAL N N 537 120.076 118.760 1.316 1
1 281 . 4 1 1 A 29 29 THR H H 538 8.165 7.981 0.184 1
1 282 . 4 1 1 A 29 29 THR HA H 538 3.985 3.976 0.009 1
1 287 . 4 1 1 A 29 29 THR C C 538 177.201 176.599 0.602 1
1 288 . 4 1 1 A 29 29 THR CA C 538 66.936 66.834 0.102 1
1 289 . 4 1 1 A 29 29 THR CB C 538 68.772 67.915 0.857 1
1 291 . 4 1 1 A 29 29 THR N N 538 117.307 116.917 0.390 1
1 292 . 4 1 1 A 30 30 LEU H H 539 8.145 8.456 -0.311 1
1 293 . 4 1 1 A 30 30 LEU HA H 539 4.181 3.998 0.183 1
1 303 . 4 1 1 A 30 30 LEU C C 539 178.786 178.756 0.030 1
1 304 . 4 1 1 A 30 30 LEU CA C 539 58.312 58.182 0.130 1
1 305 . 4 1 1 A 30 30 LEU CB C 539 42.965 41.720 1.245 1
1 308 . 4 1 1 A 30 30 LEU N N 539 122.885 121.444 1.441 1
1 309 . 4 1 1 A 31 31 GLN H H 540 8.739 8.363 0.376 1
1 310 . 4 1 1 A 31 31 GLN HA H 540 3.976 4.147 -0.171 1
1 315 . 4 1 1 A 31 31 GLN C C 540 179.052 178.502 0.550 1
1 316 . 4 1 1 A 31 31 GLN CA C 540 59.485 58.893 0.592 1
1 317 . 4 1 1 A 31 31 GLN CB C 540 28.488 28.084 0.404 1
1 319 . 4 1 1 A 31 31 GLN N N 540 119.660 118.161 1.499 1
1 320 . 4 1 1 A 32 32 ASN H H 541 8.467 8.377 0.090 1
1 321 . 4 1 1 A 32 32 ASN HA H 541 4.532 4.437 0.095 1
1 324 . 4 1 1 A 32 32 ASN C C 541 178.095 177.844 0.251 1
1 325 . 4 1 1 A 32 32 ASN CA C 541 56.010 56.491 -0.481 1
1 326 . 4 1 1 A 32 32 ASN CB C 541 37.881 38.378 -0.497 1
1 327 . 4 1 1 A 32 32 ASN N N 541 118.499 118.272 0.227 1
1 328 . 4 1 1 A 33 33 GLN H H 542 8.158 7.984 0.174 1
1 329 . 4 1 1 A 33 33 GLN HA H 542 4.029 4.058 -0.029 1
1 333 . 4 1 1 A 33 33 GLN C C 542 178.763 178.918 -0.155 1
1 334 . 4 1 1 A 33 33 GLN CA C 542 58.964 58.805 0.159 1
1 335 . 4 1 1 A 33 33 GLN CB C 542 28.949 28.334 0.615 1
1 337 . 4 1 1 A 33 33 GLN N N 542 121.150 118.417 2.733 1
1 338 . 4 1 1 A 34 34 LEU H H 543 8.606 8.514 0.092 1
1 339 . 4 1 1 A 34 34 LEU HA H 543 4.140 4.275 -0.135 1
1 349 . 4 1 1 A 34 34 LEU C C 543 178.395 178.467 -0.072 1
1 350 . 4 1 1 A 34 34 LEU CA C 543 58.323 57.628 0.695 1
1 351 . 4 1 1 A 34 34 LEU CB C 543 41.979 41.586 0.393 1
1 355 . 4 1 1 A 34 34 LEU N N 543 120.557 121.986 -1.429 1
1 356 . 4 1 1 A 35 35 GLN H H 544 8.170 8.728 -0.558 1
1 357 . 4 1 1 A 35 35 GLN HA H 544 3.969 3.940 0.029 1
1 361 . 4 1 1 A 35 35 GLN C C 544 178.194 178.461 -0.267 1
1 362 . 4 1 1 A 35 35 GLN CA C 544 59.060 59.593 -0.533 1
1 363 . 4 1 1 A 35 35 GLN CB C 544 28.046 28.194 -0.148 1
1 365 . 4 1 1 A 35 35 GLN N N 544 117.978 118.935 -0.957 1
1 366 . 4 1 1 A 36 36 GLN H H 545 7.786 7.933 -0.147 1
1 367 . 4 1 1 A 36 36 GLN HA H 545 4.024 4.116 -0.092 1
1 371 . 4 1 1 A 36 36 GLN C C 545 178.864 178.533 0.331 1
1 372 . 4 1 1 A 36 36 GLN CA C 545 58.857 58.724 0.133 1
1 373 . 4 1 1 A 36 36 GLN CB C 545 28.112 28.092 0.020 1
1 375 . 4 1 1 A 36 36 GLN N N 545 116.904 119.119 -2.215 1
1 376 . 4 1 1 A 37 37 PHE H H 546 7.734 8.286 -0.552 1
1 377 . 4 1 1 A 37 37 PHE HA H 546 4.233 4.215 0.018 1
1 382 . 4 1 1 A 37 37 PHE C C 546 178.078 177.604 0.474 1
1 383 . 4 1 1 A 37 37 PHE CA C 546 60.681 61.144 -0.463 1
1 384 . 4 1 1 A 37 37 PHE CB C 546 38.124 39.375 -1.251 1
1 385 . 4 1 1 A 37 37 PHE N N 546 119.594 121.427 -1.833 1
1 386 . 4 1 1 A 38 38 LEU H H 547 8.240 8.582 -0.342 1
1 387 . 4 1 1 A 38 38 LEU HA H 547 4.037 3.430 0.607 1
1 394 . 4 1 1 A 38 38 LEU C C 547 180.193 178.692 1.501 1
1 395 . 4 1 1 A 38 38 LEU CA C 547 57.303 57.935 -0.632 1
1 396 . 4 1 1 A 38 38 LEU CB C 547 41.519 41.086 0.433 1
1 398 . 4 1 1 A 38 38 LEU N N 547 119.925 118.848 1.077 1
1 399 . 4 1 1 A 39 39 GLU H H 548 8.273 8.543 -0.270 1
1 400 . 4 1 1 A 39 39 GLU HA H 548 4.083 4.000 0.083 1
1 403 . 4 1 1 A 39 39 GLU C C 548 178.417 179.140 -0.723 1
1 404 . 4 1 1 A 39 39 GLU CA C 548 58.494 59.458 -0.964 1
1 405 . 4 1 1 A 39 39 GLU CB C 548 29.238 29.465 -0.227 1
1 407 . 4 1 1 A 39 39 GLU N N 548 119.463 119.320 0.143 1
1 408 . 4 1 1 A 40 40 ALA H H 549 7.714 8.313 -0.599 1
1 409 . 4 1 1 A 40 40 ALA HA H 549 4.244 4.003 0.241 1
1 413 . 4 1 1 A 40 40 ALA C C 549 179.123 180.047 -0.924 1
1 414 . 4 1 1 A 40 40 ALA CA C 549 53.829 54.849 -1.020 1
1 415 . 4 1 1 A 40 40 ALA CB C 549 18.330 18.334 -0.004 1
1 416 . 4 1 1 A 40 40 ALA N N 549 122.046 122.661 -0.615 1
1 417 . 4 1 1 A 41 41 GLN H H 550 7.825 7.908 -0.083 1
1 418 . 4 1 1 A 41 41 GLN HA H 550 4.207 3.923 0.284 1
1 423 . 4 1 1 A 41 41 GLN C C 550 177.115 178.323 -1.208 1
1 424 . 4 1 1 A 41 41 GLN CA C 550 56.917 58.740 -1.823 1
1 425 . 4 1 1 A 41 41 GLN CB C 550 28.948 28.332 0.616 1
1 427 . 4 1 1 A 41 41 GLN N N 550 117.391 117.853 -0.462 1
1 428 . 4 1 1 A 42 42 LYS H H 551 7.905 7.652 0.253 1
1 429 . 4 1 1 A 42 42 LYS HA H 551 4.293 4.015 0.278 1
1 435 . 4 1 1 A 42 42 LYS C C 551 177.498 179.536 -2.038 1
1 436 . 4 1 1 A 42 42 LYS CA C 551 57.298 59.338 -2.040 1
1 437 . 4 1 1 A 42 42 LYS CB C 551 32.903 32.457 0.446 1
1 441 . 4 1 1 A 42 42 LYS N N 551 120.398 120.288 0.110 1
1 442 . 4 1 1 A 43 43 SER H H 552 8.144 8.394 -0.250 1
1 443 . 4 1 1 A 43 43 SER HA H 552 4.438 4.194 0.244 1
1 445 . 4 1 1 A 43 43 SER C C 552 174.871 176.076 -1.205 1
1 446 . 4 1 1 A 43 43 SER CA C 552 58.932 61.823 -2.891 1
1 447 . 4 1 1 A 43 43 SER CB C 552 63.785 62.902 0.883 1
1 448 . 4 1 1 A 43 43 SER N N 552 115.839 117.196 -1.357 1
1 449 . 4 1 1 A 44 44 GLU H H 553 8.267 7.731 0.536 1
1 450 . 4 1 1 A 44 44 GLU HA H 553 4.300 4.209 0.091 1
1 454 . 4 1 1 A 44 44 GLU C C 553 177.103 180.001 -2.898 1
1 455 . 4 1 1 A 44 44 GLU CA C 553 56.940 59.096 -2.156 1
1 456 . 4 1 1 A 44 44 GLU CB C 553 29.992 29.834 0.158 1
1 458 . 4 1 1 A 44 44 GLU N N 553 122.271 120.455 1.816 1
1 459 . 4 1 1 A 45 45 GLY H H 554 8.384 8.525 -0.141 1
1 460 . 4 1 1 A 45 45 GLY HA2 H 554 3.963 3.693 0.270 1
1 461 . 4 1 1 A 45 45 GLY HA3 H 554 3.963 3.702 0.261 1
1 462 . 4 1 1 A 45 45 GLY C C 554 174.201 176.103 -1.902 1
1 463 . 4 1 1 A 45 45 GLY CA C 554 45.474 46.578 -1.104 1
1 464 . 4 1 1 A 45 45 GLY N N 554 109.533 109.231 0.302 1
1 465 . 4 1 1 A 46 46 LYS H H 555 8.064 8.661 -0.597 1
1 466 . 4 1 1 A 46 46 LYS HA H 555 4.417 4.202 0.215 1
1 472 . 4 1 1 A 46 46 LYS C C 555 176.485 176.271 0.214 1
1 473 . 4 1 1 A 46 46 LYS CA C 555 56.017 58.217 -2.200 1
1 474 . 4 1 1 A 46 46 LYS CB C 555 33.281 31.841 1.440 1
1 477 . 4 1 1 A 46 46 LYS N N 555 120.660 118.201 2.459 1
1 478 . 4 1 1 A 47 47 SER H H 556 8.391 7.362 1.029 1
1 479 . 4 1 1 A 47 47 SER HA H 556 4.562 4.573 -0.011 1
1 482 . 4 1 1 A 47 47 SER C C 556 173.556 174.530 -0.974 1
1 483 . 4 1 1 A 47 47 SER CA C 556 58.444 56.901 1.543 1
1 484 . 4 1 1 A 47 47 SER CB C 556 64.149 63.713 0.436 1
1 485 . 4 1 1 A 47 47 SER N N 556 117.900 116.463 1.437 1
1 1 . 5 1 1 A 3 3 VAL H H 512 8.411 8.134 0.277 1
1 2 . 5 1 1 A 3 3 VAL HA H 512 4.140 3.774 0.366 1
1 7 . 5 1 1 A 3 3 VAL C C 512 176.681 176.322 0.359 1
1 8 . 5 1 1 A 3 3 VAL CA C 512 63.248 63.743 -0.495 1
1 9 . 5 1 1 A 3 3 VAL CB C 512 32.219 28.898 3.321 1
1 11 . 5 1 1 A 3 3 VAL N N 512 121.730 116.651 5.079 1
1 12 . 5 1 1 A 4 4 GLU H H 513 8.552 8.219 0.333 1
1 13 . 5 1 1 A 4 4 GLU HA H 513 4.304 4.103 0.201 1
1 16 . 5 1 1 A 4 4 GLU C C 513 177.624 178.526 -0.902 1
1 17 . 5 1 1 A 4 4 GLU CA C 513 57.945 58.870 -0.925 1
1 18 . 5 1 1 A 4 4 GLU CB C 513 29.784 29.072 0.712 1
1 19 . 5 1 1 A 4 4 GLU N N 513 123.626 120.424 3.202 1
1 20 . 5 1 1 A 5 5 THR H H 514 8.341 7.968 0.373 1
1 21 . 5 1 1 A 5 5 THR HA H 514 4.364 4.237 0.127 1
1 26 . 5 1 1 A 5 5 THR C C 514 175.493 176.727 -1.234 1
1 27 . 5 1 1 A 5 5 THR CA C 514 62.824 64.215 -1.391 1
1 28 . 5 1 1 A 5 5 THR CB C 514 70.032 69.164 0.868 1
1 29 . 5 1 1 A 5 5 THR N N 514 114.159 111.381 2.778 1
1 30 . 5 1 1 A 6 6 CYS H H 515 8.739 8.244 0.495 1
1 31 . 5 1 1 A 6 6 CYS HA H 515 4.692 4.137 0.555 1
1 34 . 5 1 1 A 6 6 CYS C C 515 178.959 176.901 2.058 1
1 35 . 5 1 1 A 6 6 CYS CA C 515 57.420 62.512 -5.092 1
1 36 . 5 1 1 A 6 6 CYS CB C 515 42.167 27.158 15.009 1
1 37 . 5 1 1 A 6 6 CYS N N 515 119.497 120.614 -1.117 1
1 38 . 5 1 1 A 7 7 MET H H 516 8.380 8.310 0.070 1
1 39 . 5 1 1 A 7 7 MET HA H 516 4.250 4.164 0.086 1
1 44 . 5 1 1 A 7 7 MET C C 516 176.520 178.184 -1.664 1
1 45 . 5 1 1 A 7 7 MET CA C 516 58.813 58.103 0.710 1
1 46 . 5 1 1 A 7 7 MET CB C 516 32.214 32.026 0.188 1
1 47 . 5 1 1 A 7 7 MET N N 516 120.287 120.762 -0.475 1
1 48 . 5 1 1 A 8 8 SER H H 517 8.409 8.097 0.312 1
1 49 . 5 1 1 A 8 8 SER HA H 517 4.339 4.130 0.209 1
1 51 . 5 1 1 A 8 8 SER C C 517 177.818 176.572 1.246 1
1 52 . 5 1 1 A 8 8 SER CA C 517 61.119 62.276 -1.157 1
1 53 . 5 1 1 A 8 8 SER CB C 517 62.384 63.021 -0.637 1
1 54 . 5 1 1 A 8 8 SER N N 517 116.219 115.460 0.759 1
1 55 . 5 1 1 A 9 9 LEU H H 518 8.017 7.861 0.156 1
1 56 . 5 1 1 A 9 9 LEU HA H 518 4.144 4.023 0.121 1
1 66 . 5 1 1 A 9 9 LEU C C 518 178.577 178.939 -0.362 1
1 67 . 5 1 1 A 9 9 LEU CA C 518 57.927 57.800 0.127 1
1 68 . 5 1 1 A 9 9 LEU CB C 518 42.987 41.589 1.398 1
1 70 . 5 1 1 A 9 9 LEU N N 518 122.883 120.386 2.497 1
1 71 . 5 1 1 A 10 10 ALA H H 519 8.085 8.757 -0.672 1
1 72 . 5 1 1 A 10 10 ALA HA H 519 4.044 4.132 -0.088 1
1 76 . 5 1 1 A 10 10 ALA C C 519 180.731 179.695 1.036 1
1 77 . 5 1 1 A 10 10 ALA CA C 519 55.810 55.253 0.557 1
1 78 . 5 1 1 A 10 10 ALA CB C 519 17.616 17.735 -0.119 1
1 79 . 5 1 1 A 10 10 ALA N N 519 121.112 121.961 -0.849 1
1 80 . 5 1 1 A 11 11 SER H H 520 7.998 8.184 -0.186 1
1 81 . 5 1 1 A 11 11 SER HA H 520 4.283 4.172 0.111 1
1 83 . 5 1 1 A 11 11 SER C C 520 177.283 176.650 0.633 1
1 84 . 5 1 1 A 11 11 SER CA C 520 61.279 61.501 -0.222 1
1 85 . 5 1 1 A 11 11 SER CB C 520 62.764 62.444 0.320 1
1 86 . 5 1 1 A 11 11 SER N N 520 113.163 113.074 0.089 1
1 87 . 5 1 1 A 12 12 GLN H H 521 8.082 7.844 0.238 1
1 88 . 5 1 1 A 12 12 GLN HA H 521 4.163 3.999 0.164 1
1 93 . 5 1 1 A 12 12 GLN C C 521 178.439 178.300 0.139 1
1 94 . 5 1 1 A 12 12 GLN CA C 521 59.321 58.613 0.708 1
1 95 . 5 1 1 A 12 12 GLN CB C 521 28.932 28.530 0.402 1
1 97 . 5 1 1 A 12 12 GLN N N 521 123.452 121.250 2.202 1
1 98 . 5 1 1 A 13 13 VAL H H 522 8.289 8.203 0.086 1
1 99 . 5 1 1 A 13 13 VAL HA H 522 3.489 3.667 -0.178 1
1 107 . 5 1 1 A 13 13 VAL C C 522 179.392 178.384 1.008 1
1 108 . 5 1 1 A 13 13 VAL CA C 522 67.895 66.363 1.532 1
1 109 . 5 1 1 A 13 13 VAL CB C 522 31.597 31.540 0.057 1
1 112 . 5 1 1 A 13 13 VAL N N 522 119.508 119.872 -0.364 1
1 113 . 5 1 1 A 14 14 VAL H H 523 7.651 8.330 -0.679 1
1 114 . 5 1 1 A 14 14 VAL HA H 523 3.674 3.577 0.097 1
1 122 . 5 1 1 A 14 14 VAL C C 523 178.592 177.814 0.778 1
1 123 . 5 1 1 A 14 14 VAL CA C 523 67.190 66.618 0.572 1
1 124 . 5 1 1 A 14 14 VAL CB C 523 31.892 31.525 0.367 1
1 126 . 5 1 1 A 14 14 VAL N N 523 122.425 120.577 1.848 1
1 127 . 5 1 1 A 15 15 LYS H H 524 7.919 8.141 -0.222 1
1 128 . 5 1 1 A 15 15 LYS HA H 524 4.066 3.935 0.131 1
1 134 . 5 1 1 A 15 15 LYS C C 524 179.521 179.510 0.011 1
1 135 . 5 1 1 A 15 15 LYS CA C 524 60.001 59.899 0.102 1
1 136 . 5 1 1 A 15 15 LYS CB C 524 32.693 32.229 0.464 1
1 139 . 5 1 1 A 15 15 LYS N N 524 120.960 119.414 1.546 1
1 140 . 5 1 1 A 16 16 LEU H H 525 8.939 8.351 0.588 1
1 141 . 5 1 1 A 16 16 LEU HA H 525 4.164 4.010 0.154 1
1 148 . 5 1 1 A 16 16 LEU C C 525 179.118 179.246 -0.128 1
1 149 . 5 1 1 A 16 16 LEU CA C 525 58.071 57.803 0.268 1
1 150 . 5 1 1 A 16 16 LEU CB C 525 43.853 41.884 1.969 1
1 153 . 5 1 1 A 16 16 LEU N N 525 119.646 120.289 -0.643 1
1 154 . 5 1 1 A 17 17 THR H H 526 8.311 8.252 0.059 1
1 155 . 5 1 1 A 17 17 THR HA H 526 3.822 3.973 -0.151 1
1 160 . 5 1 1 A 17 17 THR C C 526 176.638 176.126 0.512 1
1 161 . 5 1 1 A 17 17 THR CA C 526 67.923 66.828 1.095 1
1 162 . 5 1 1 A 17 17 THR CB C 526 68.655 68.088 0.567 1
1 164 . 5 1 1 A 17 17 THR N N 526 115.841 116.461 -0.620 1
1 165 . 5 1 1 A 18 18 LYS H H 527 7.717 8.612 -0.895 1
1 166 . 5 1 1 A 18 18 LYS HA H 527 4.112 3.952 0.160 1
1 173 . 5 1 1 A 18 18 LYS CA C 527 59.922 59.423 0.499 1
1 174 . 5 1 1 A 18 18 LYS CB C 527 32.354 32.316 0.038 1
1 176 . 5 1 1 A 18 18 LYS N N 527 123.034 120.530 2.504 1
1 177 . 5 1 1 A 19 19 GLN H H 528 8.319 8.170 0.149 1
1 178 . 5 1 1 A 19 19 GLN HA H 528 4.149 4.015 0.134 1
1 181 . 5 1 1 A 19 19 GLN C C 528 179.236 178.880 0.356 1
1 182 . 5 1 1 A 19 19 GLN CA C 528 59.397 58.840 0.557 1
1 183 . 5 1 1 A 19 19 GLN CB C 528 29.175 28.093 1.082 1
1 184 . 5 1 1 A 19 19 GLN N N 528 119.343 118.573 0.770 1
1 185 . 5 1 1 A 20 20 LEU H H 529 8.869 8.589 0.280 1
1 186 . 5 1 1 A 20 20 LEU HA H 529 4.102 4.000 0.102 1
1 192 . 5 1 1 A 20 20 LEU C C 529 179.709 179.058 0.651 1
1 193 . 5 1 1 A 20 20 LEU CA C 529 58.277 57.968 0.309 1
1 194 . 5 1 1 A 20 20 LEU CB C 529 41.808 41.385 0.423 1
1 195 . 5 1 1 A 20 20 LEU N N 529 121.333 120.352 0.981 1
1 196 . 5 1 1 A 21 21 LYS H H 530 8.126 8.121 0.005 1
1 197 . 5 1 1 A 21 21 LYS HA H 530 4.097 3.983 0.114 1
1 199 . 5 1 1 A 21 21 LYS C C 530 178.925 178.903 0.022 1
1 200 . 5 1 1 A 21 21 LYS CA C 530 60.168 59.817 0.351 1
1 201 . 5 1 1 A 21 21 LYS CB C 530 31.957 32.243 -0.286 1
1 202 . 5 1 1 A 21 21 LYS N N 530 122.900 120.255 2.645 1
1 203 . 5 1 1 A 22 22 GLU H H 531 8.138 8.552 -0.414 1
1 204 . 5 1 1 A 22 22 GLU HA H 531 4.064 4.068 -0.004 1
1 208 . 5 1 1 A 22 22 GLU C C 531 179.710 179.403 0.307 1
1 209 . 5 1 1 A 22 22 GLU CA C 531 59.532 59.230 0.302 1
1 210 . 5 1 1 A 22 22 GLU CB C 531 29.446 29.382 0.064 1
1 212 . 5 1 1 A 22 22 GLU N N 531 118.589 118.627 -0.038 1
1 213 . 5 1 1 A 23 23 GLN H H 532 8.457 8.012 0.445 1
1 214 . 5 1 1 A 23 23 GLN HA H 532 4.139 4.126 0.013 1
1 216 . 5 1 1 A 23 23 GLN C C 532 178.498 178.608 -0.110 1
1 217 . 5 1 1 A 23 23 GLN CA C 532 58.563 58.545 0.018 1
1 218 . 5 1 1 A 23 23 GLN CB C 532 28.911 28.088 0.823 1
1 219 . 5 1 1 A 23 23 GLN N N 532 118.059 119.875 -1.816 1
1 220 . 5 1 1 A 24 24 THR H H 533 8.325 8.082 0.243 1
1 221 . 5 1 1 A 24 24 THR HA H 533 4.106 4.033 0.073 1
1 226 . 5 1 1 A 24 24 THR C C 533 175.780 176.062 -0.282 1
1 227 . 5 1 1 A 24 24 THR CA C 533 67.023 66.823 0.200 1
1 229 . 5 1 1 A 24 24 THR N N 533 117.397 117.446 -0.049 1
1 230 . 5 1 1 A 25 25 VAL H H 534 7.935 8.318 -0.383 1
1 231 . 5 1 1 A 25 25 VAL HA H 534 3.696 3.725 -0.029 1
1 239 . 5 1 1 A 25 25 VAL C C 534 179.333 177.762 1.571 1
1 240 . 5 1 1 A 25 25 VAL CA C 534 66.691 65.923 0.768 1
1 243 . 5 1 1 A 25 25 VAL N N 534 121.196 118.379 2.817 1
1 244 . 5 1 1 A 26 26 GLU H H 535 7.814 8.358 -0.544 1
1 245 . 5 1 1 A 26 26 GLU HA H 535 4.113 4.010 0.103 1
1 249 . 5 1 1 A 26 26 GLU C C 535 178.221 178.857 -0.636 1
1 250 . 5 1 1 A 26 26 GLU CA C 535 59.597 58.879 0.718 1
1 251 . 5 1 1 A 26 26 GLU CB C 535 29.298 29.023 0.275 1
1 253 . 5 1 1 A 26 26 GLU N N 535 120.430 120.997 -0.567 1
1 254 . 5 1 1 A 27 27 ARG H H 536 8.367 7.750 0.617 1
1 255 . 5 1 1 A 27 27 ARG HA H 536 3.906 4.154 -0.248 1
1 260 . 5 1 1 A 27 27 ARG C C 536 178.119 178.435 -0.316 1
1 261 . 5 1 1 A 27 27 ARG CA C 536 60.845 58.642 2.203 1
1 262 . 5 1 1 A 27 27 ARG CB C 536 27.361 30.029 -2.668 1
1 265 . 5 1 1 A 27 27 ARG N N 536 120.564 120.258 0.306 1
1 266 . 5 1 1 A 28 28 VAL H H 537 8.452 8.458 -0.006 1
1 267 . 5 1 1 A 28 28 VAL HA H 537 3.691 3.809 -0.118 1
1 275 . 5 1 1 A 28 28 VAL C C 537 178.392 178.153 0.239 1
1 276 . 5 1 1 A 28 28 VAL CA C 537 66.670 65.419 1.251 1
1 277 . 5 1 1 A 28 28 VAL CB C 537 31.795 31.545 0.250 1
1 280 . 5 1 1 A 28 28 VAL N N 537 120.076 118.806 1.270 1
1 281 . 5 1 1 A 29 29 THR H H 538 8.165 8.038 0.127 1
1 282 . 5 1 1 A 29 29 THR HA H 538 3.985 3.976 0.009 1
1 287 . 5 1 1 A 29 29 THR C C 538 177.201 176.562 0.639 1
1 288 . 5 1 1 A 29 29 THR CA C 538 66.936 66.623 0.313 1
1 289 . 5 1 1 A 29 29 THR CB C 538 68.772 68.004 0.768 1
1 291 . 5 1 1 A 29 29 THR N N 538 117.307 116.708 0.599 1
1 292 . 5 1 1 A 30 30 LEU H H 539 8.145 8.189 -0.044 1
1 293 . 5 1 1 A 30 30 LEU HA H 539 4.181 3.998 0.183 1
1 303 . 5 1 1 A 30 30 LEU C C 539 178.786 178.750 0.036 1
1 304 . 5 1 1 A 30 30 LEU CA C 539 58.312 58.169 0.143 1
1 305 . 5 1 1 A 30 30 LEU CB C 539 42.965 41.645 1.320 1
1 308 . 5 1 1 A 30 30 LEU N N 539 122.885 121.748 1.137 1
1 309 . 5 1 1 A 31 31 GLN H H 540 8.739 8.093 0.646 1
1 310 . 5 1 1 A 31 31 GLN HA H 540 3.976 4.115 -0.139 1
1 315 . 5 1 1 A 31 31 GLN C C 540 179.052 178.635 0.417 1
1 316 . 5 1 1 A 31 31 GLN CA C 540 59.485 59.174 0.311 1
1 317 . 5 1 1 A 31 31 GLN CB C 540 28.488 27.996 0.492 1
1 319 . 5 1 1 A 31 31 GLN N N 540 119.660 118.178 1.482 1
1 320 . 5 1 1 A 32 32 ASN H H 541 8.467 8.712 -0.245 1
1 321 . 5 1 1 A 32 32 ASN HA H 541 4.532 4.446 0.086 1
1 324 . 5 1 1 A 32 32 ASN C C 541 178.095 177.777 0.318 1
1 325 . 5 1 1 A 32 32 ASN CA C 541 56.010 56.544 -0.534 1
1 326 . 5 1 1 A 32 32 ASN CB C 541 37.881 38.541 -0.660 1
1 327 . 5 1 1 A 32 32 ASN N N 541 118.499 117.936 0.563 1
1 328 . 5 1 1 A 33 33 GLN H H 542 8.158 8.327 -0.169 1
1 329 . 5 1 1 A 33 33 GLN HA H 542 4.029 4.048 -0.019 1
1 333 . 5 1 1 A 33 33 GLN C C 542 178.763 178.763 0.000 1
1 334 . 5 1 1 A 33 33 GLN CA C 542 58.964 59.017 -0.053 1
1 335 . 5 1 1 A 33 33 GLN CB C 542 28.949 27.974 0.975 1
1 337 . 5 1 1 A 33 33 GLN N N 542 121.150 118.395 2.755 1
1 338 . 5 1 1 A 34 34 LEU H H 543 8.606 8.157 0.449 1
1 339 . 5 1 1 A 34 34 LEU HA H 543 4.140 4.290 -0.150 1
1 349 . 5 1 1 A 34 34 LEU C C 543 178.395 178.353 0.042 1
1 350 . 5 1 1 A 34 34 LEU CA C 543 58.323 57.615 0.708 1
1 351 . 5 1 1 A 34 34 LEU CB C 543 41.979 41.804 0.175 1
1 355 . 5 1 1 A 34 34 LEU N N 543 120.557 121.548 -0.991 1
1 356 . 5 1 1 A 35 35 GLN H H 544 8.170 8.882 -0.712 1
1 357 . 5 1 1 A 35 35 GLN HA H 544 3.969 3.972 -0.003 1
1 361 . 5 1 1 A 35 35 GLN C C 544 178.194 178.528 -0.334 1
1 362 . 5 1 1 A 35 35 GLN CA C 544 59.060 59.507 -0.447 1
1 363 . 5 1 1 A 35 35 GLN CB C 544 28.046 28.210 -0.164 1
1 365 . 5 1 1 A 35 35 GLN N N 544 117.978 118.973 -0.995 1
1 366 . 5 1 1 A 36 36 GLN H H 545 7.786 8.516 -0.730 1
1 367 . 5 1 1 A 36 36 GLN HA H 545 4.024 4.070 -0.046 1
1 371 . 5 1 1 A 36 36 GLN C C 545 178.864 178.278 0.586 1
1 372 . 5 1 1 A 36 36 GLN CA C 545 58.857 58.892 -0.035 1
1 373 . 5 1 1 A 36 36 GLN CB C 545 28.112 28.417 -0.305 1
1 375 . 5 1 1 A 36 36 GLN N N 545 116.904 118.510 -1.606 1
1 376 . 5 1 1 A 37 37 PHE H H 546 7.734 8.325 -0.591 1
1 377 . 5 1 1 A 37 37 PHE HA H 546 4.233 4.233 0.000 1
1 382 . 5 1 1 A 37 37 PHE C C 546 178.078 177.563 0.515 1
1 383 . 5 1 1 A 37 37 PHE CA C 546 60.681 61.104 -0.423 1
1 384 . 5 1 1 A 37 37 PHE CB C 546 38.124 39.320 -1.196 1
1 385 . 5 1 1 A 37 37 PHE N N 546 119.594 122.825 -3.231 1
1 386 . 5 1 1 A 38 38 LEU H H 547 8.240 8.445 -0.205 1
1 387 . 5 1 1 A 38 38 LEU HA H 547 4.037 3.888 0.149 1
1 394 . 5 1 1 A 38 38 LEU C C 547 180.193 178.696 1.497 1
1 395 . 5 1 1 A 38 38 LEU CA C 547 57.303 58.095 -0.792 1
1 396 . 5 1 1 A 38 38 LEU CB C 547 41.519 41.160 0.359 1
1 398 . 5 1 1 A 38 38 LEU N N 547 119.925 118.306 1.619 1
1 399 . 5 1 1 A 39 39 GLU H H 548 8.273 8.404 -0.131 1
1 400 . 5 1 1 A 39 39 GLU HA H 548 4.083 3.960 0.123 1
1 403 . 5 1 1 A 39 39 GLU C C 548 178.417 179.288 -0.871 1
1 404 . 5 1 1 A 39 39 GLU CA C 548 58.494 59.489 -0.995 1
1 405 . 5 1 1 A 39 39 GLU CB C 548 29.238 28.863 0.375 1
1 407 . 5 1 1 A 39 39 GLU N N 548 119.463 119.493 -0.030 1
1 408 . 5 1 1 A 40 40 ALA H H 549 7.714 8.453 -0.739 1
1 409 . 5 1 1 A 40 40 ALA HA H 549 4.244 4.013 0.231 1
1 413 . 5 1 1 A 40 40 ALA C C 549 179.123 179.950 -0.827 1
1 414 . 5 1 1 A 40 40 ALA CA C 549 53.829 54.916 -1.087 1
1 415 . 5 1 1 A 40 40 ALA CB C 549 18.330 18.248 0.082 1
1 416 . 5 1 1 A 40 40 ALA N N 549 122.046 122.604 -0.558 1
1 417 . 5 1 1 A 41 41 GLN H H 550 7.825 7.650 0.175 1
1 418 . 5 1 1 A 41 41 GLN HA H 550 4.207 3.916 0.291 1
1 423 . 5 1 1 A 41 41 GLN C C 550 177.115 178.493 -1.378 1
1 424 . 5 1 1 A 41 41 GLN CA C 550 56.917 58.703 -1.786 1
1 425 . 5 1 1 A 41 41 GLN CB C 550 28.948 28.252 0.696 1
1 427 . 5 1 1 A 41 41 GLN N N 550 117.391 118.335 -0.944 1
1 428 . 5 1 1 A 42 42 LYS H H 551 7.905 7.816 0.089 1
1 429 . 5 1 1 A 42 42 LYS HA H 551 4.293 4.011 0.282 1
1 435 . 5 1 1 A 42 42 LYS C C 551 177.498 179.218 -1.720 1
1 436 . 5 1 1 A 42 42 LYS CA C 551 57.298 59.119 -1.821 1
1 437 . 5 1 1 A 42 42 LYS CB C 551 32.903 32.098 0.805 1
1 441 . 5 1 1 A 42 42 LYS N N 551 120.398 119.739 0.659 1
1 442 . 5 1 1 A 43 43 SER H H 552 8.144 8.356 -0.212 1
1 443 . 5 1 1 A 43 43 SER HA H 552 4.438 4.074 0.364 1
1 445 . 5 1 1 A 43 43 SER C C 552 174.871 176.350 -1.479 1
1 446 . 5 1 1 A 43 43 SER CA C 552 58.932 62.138 -3.206 1
1 447 . 5 1 1 A 43 43 SER CB C 552 63.785 63.007 0.778 1
1 448 . 5 1 1 A 43 43 SER N N 552 115.839 116.639 -0.800 1
1 449 . 5 1 1 A 44 44 GLU H H 553 8.267 7.517 0.750 1
1 450 . 5 1 1 A 44 44 GLU HA H 553 4.300 4.133 0.167 1
1 454 . 5 1 1 A 44 44 GLU C C 553 177.103 179.956 -2.853 1
1 455 . 5 1 1 A 44 44 GLU CA C 553 56.940 59.285 -2.345 1
1 456 . 5 1 1 A 44 44 GLU CB C 553 29.992 29.620 0.372 1
1 458 . 5 1 1 A 44 44 GLU N N 553 122.271 121.529 0.742 1
1 459 . 5 1 1 A 45 45 GLY H H 554 8.384 8.518 -0.134 1
1 460 . 5 1 1 A 45 45 GLY HA2 H 554 3.963 3.699 0.264 1
1 461 . 5 1 1 A 45 45 GLY HA3 H 554 3.963 3.706 0.257 1
1 462 . 5 1 1 A 45 45 GLY C C 554 174.201 175.729 -1.528 1
1 463 . 5 1 1 A 45 45 GLY CA C 554 45.474 46.768 -1.294 1
1 464 . 5 1 1 A 45 45 GLY N N 554 109.533 109.178 0.355 1
1 465 . 5 1 1 A 46 46 LYS H H 555 8.064 9.129 -1.065 1
1 466 . 5 1 1 A 46 46 LYS HA H 555 4.417 4.128 0.289 1
1 472 . 5 1 1 A 46 46 LYS C C 555 176.485 178.267 -1.782 1
1 473 . 5 1 1 A 46 46 LYS CA C 555 56.017 58.389 -2.372 1
1 474 . 5 1 1 A 46 46 LYS CB C 555 33.281 31.276 2.005 1
1 477 . 5 1 1 A 46 46 LYS N N 555 120.660 119.481 1.179 1
1 478 . 5 1 1 A 47 47 SER H H 556 8.391 7.821 0.570 1
1 479 . 5 1 1 A 47 47 SER HA H 556 4.562 4.546 0.016 1
1 482 . 5 1 1 A 47 47 SER C C 556 173.556 174.137 -0.581 1
1 483 . 5 1 1 A 47 47 SER CA C 556 58.444 60.150 -1.706 1
1 484 . 5 1 1 A 47 47 SER CB C 556 64.149 64.615 -0.466 1
1 485 . 5 1 1 A 47 47 SER N N 556 117.900 114.168 3.732 1
1 1 . 6 1 1 A 3 3 VAL H H 512 8.411 7.754 0.657 1
1 2 . 6 1 1 A 3 3 VAL HA H 512 4.140 3.521 0.619 1
1 7 . 6 1 1 A 3 3 VAL C C 512 176.681 178.148 -1.467 1
1 8 . 6 1 1 A 3 3 VAL CA C 512 63.248 66.962 -3.714 1
1 9 . 6 1 1 A 3 3 VAL CB C 512 32.219 31.390 0.829 1
1 11 . 6 1 1 A 3 3 VAL N N 512 121.730 122.759 -1.029 1
1 12 . 6 1 1 A 4 4 GLU H H 513 8.552 8.477 0.075 1
1 13 . 6 1 1 A 4 4 GLU HA H 513 4.304 4.103 0.201 1
1 16 . 6 1 1 A 4 4 GLU C C 513 177.624 178.961 -1.337 1
1 17 . 6 1 1 A 4 4 GLU CA C 513 57.945 58.786 -0.841 1
1 18 . 6 1 1 A 4 4 GLU CB C 513 29.784 29.482 0.302 1
1 19 . 6 1 1 A 4 4 GLU N N 513 123.626 119.474 4.152 1
1 20 . 6 1 1 A 5 5 THR H H 514 8.341 8.229 0.112 1
1 21 . 6 1 1 A 5 5 THR HA H 514 4.364 3.858 0.506 1
1 26 . 6 1 1 A 5 5 THR C C 514 175.493 176.436 -0.943 1
1 27 . 6 1 1 A 5 5 THR CA C 514 62.824 66.884 -4.060 1
1 28 . 6 1 1 A 5 5 THR CB C 514 70.032 68.706 1.326 1
1 29 . 6 1 1 A 5 5 THR N N 514 114.159 116.436 -2.277 1
1 30 . 6 1 1 A 6 6 CYS H H 515 8.739 8.237 0.502 1
1 31 . 6 1 1 A 6 6 CYS HA H 515 4.692 4.123 0.569 1
1 34 . 6 1 1 A 6 6 CYS C C 515 178.959 176.964 1.995 1
1 35 . 6 1 1 A 6 6 CYS CA C 515 57.420 62.890 -5.470 1
1 36 . 6 1 1 A 6 6 CYS CB C 515 42.167 26.571 15.596 1
1 37 . 6 1 1 A 6 6 CYS N N 515 119.497 118.223 1.274 1
1 38 . 6 1 1 A 7 7 MET H H 516 8.380 8.427 -0.047 1
1 39 . 6 1 1 A 7 7 MET HA H 516 4.250 4.202 0.048 1
1 44 . 6 1 1 A 7 7 MET C C 516 176.520 178.053 -1.533 1
1 45 . 6 1 1 A 7 7 MET CA C 516 58.813 57.936 0.877 1
1 46 . 6 1 1 A 7 7 MET CB C 516 32.214 31.791 0.423 1
1 47 . 6 1 1 A 7 7 MET N N 516 120.287 122.090 -1.803 1
1 48 . 6 1 1 A 8 8 SER H H 517 8.409 7.826 0.583 1
1 49 . 6 1 1 A 8 8 SER HA H 517 4.339 4.115 0.224 1
1 51 . 6 1 1 A 8 8 SER C C 517 177.818 176.542 1.276 1
1 52 . 6 1 1 A 8 8 SER CA C 517 61.119 62.328 -1.209 1
1 53 . 6 1 1 A 8 8 SER CB C 517 62.384 63.073 -0.689 1
1 54 . 6 1 1 A 8 8 SER N N 517 116.219 115.608 0.611 1
1 55 . 6 1 1 A 9 9 LEU H H 518 8.017 7.950 0.067 1
1 56 . 6 1 1 A 9 9 LEU HA H 518 4.144 4.018 0.126 1
1 66 . 6 1 1 A 9 9 LEU C C 518 178.577 179.022 -0.445 1
1 67 . 6 1 1 A 9 9 LEU CA C 518 57.927 57.812 0.115 1
1 68 . 6 1 1 A 9 9 LEU CB C 518 42.987 41.324 1.663 1
1 70 . 6 1 1 A 9 9 LEU N N 518 122.883 120.383 2.500 1
1 71 . 6 1 1 A 10 10 ALA H H 519 8.085 8.408 -0.323 1
1 72 . 6 1 1 A 10 10 ALA HA H 519 4.044 4.119 -0.075 1
1 76 . 6 1 1 A 10 10 ALA C C 519 180.731 179.258 1.473 1
1 77 . 6 1 1 A 10 10 ALA CA C 519 55.810 55.287 0.523 1
1 78 . 6 1 1 A 10 10 ALA CB C 519 17.616 17.756 -0.140 1
1 79 . 6 1 1 A 10 10 ALA N N 519 121.112 121.931 -0.819 1
1 80 . 6 1 1 A 11 11 SER H H 520 7.998 7.989 0.009 1
1 81 . 6 1 1 A 11 11 SER HA H 520 4.283 4.178 0.105 1
1 83 . 6 1 1 A 11 11 SER C C 520 177.283 176.340 0.943 1
1 84 . 6 1 1 A 11 11 SER CA C 520 61.279 61.255 0.024 1
1 85 . 6 1 1 A 11 11 SER CB C 520 62.764 62.932 -0.168 1
1 86 . 6 1 1 A 11 11 SER N N 520 113.163 112.863 0.300 1
1 87 . 6 1 1 A 12 12 GLN H H 521 8.082 8.004 0.078 1
1 88 . 6 1 1 A 12 12 GLN HA H 521 4.163 3.991 0.172 1
1 93 . 6 1 1 A 12 12 GLN C C 521 178.439 178.496 -0.057 1
1 94 . 6 1 1 A 12 12 GLN CA C 521 59.321 58.655 0.666 1
1 95 . 6 1 1 A 12 12 GLN CB C 521 28.932 28.794 0.138 1
1 97 . 6 1 1 A 12 12 GLN N N 521 123.452 121.420 2.032 1
1 98 . 6 1 1 A 13 13 VAL H H 522 8.289 8.406 -0.117 1
1 99 . 6 1 1 A 13 13 VAL HA H 522 3.489 3.631 -0.142 1
1 107 . 6 1 1 A 13 13 VAL C C 522 179.392 178.317 1.075 1
1 108 . 6 1 1 A 13 13 VAL CA C 522 67.895 66.336 1.559 1
1 109 . 6 1 1 A 13 13 VAL CB C 522 31.597 31.499 0.098 1
1 112 . 6 1 1 A 13 13 VAL N N 522 119.508 119.644 -0.136 1
1 113 . 6 1 1 A 14 14 VAL H H 523 7.651 8.382 -0.731 1
1 114 . 6 1 1 A 14 14 VAL HA H 523 3.674 3.549 0.125 1
1 122 . 6 1 1 A 14 14 VAL C C 523 178.592 178.013 0.579 1
1 123 . 6 1 1 A 14 14 VAL CA C 523 67.190 66.591 0.599 1
1 124 . 6 1 1 A 14 14 VAL CB C 523 31.892 31.353 0.539 1
1 126 . 6 1 1 A 14 14 VAL N N 523 122.425 120.470 1.955 1
1 127 . 6 1 1 A 15 15 LYS H H 524 7.919 7.868 0.051 1
1 128 . 6 1 1 A 15 15 LYS HA H 524 4.066 3.990 0.076 1
1 134 . 6 1 1 A 15 15 LYS C C 524 179.521 179.602 -0.081 1
1 135 . 6 1 1 A 15 15 LYS CA C 524 60.001 59.910 0.091 1
1 136 . 6 1 1 A 15 15 LYS CB C 524 32.693 32.216 0.477 1
1 139 . 6 1 1 A 15 15 LYS N N 524 120.960 119.258 1.702 1
1 140 . 6 1 1 A 16 16 LEU H H 525 8.939 8.310 0.629 1
1 141 . 6 1 1 A 16 16 LEU HA H 525 4.164 4.011 0.153 1
1 148 . 6 1 1 A 16 16 LEU C C 525 179.118 179.367 -0.249 1
1 149 . 6 1 1 A 16 16 LEU CA C 525 58.071 57.825 0.246 1
1 150 . 6 1 1 A 16 16 LEU CB C 525 43.853 41.886 1.967 1
1 153 . 6 1 1 A 16 16 LEU N N 525 119.646 120.117 -0.471 1
1 154 . 6 1 1 A 17 17 THR H H 526 8.311 8.688 -0.377 1
1 155 . 6 1 1 A 17 17 THR HA H 526 3.822 3.977 -0.155 1
1 160 . 6 1 1 A 17 17 THR C C 526 176.638 175.959 0.679 1
1 161 . 6 1 1 A 17 17 THR CA C 526 67.923 67.033 0.890 1
1 162 . 6 1 1 A 17 17 THR CB C 526 68.655 68.031 0.624 1
1 164 . 6 1 1 A 17 17 THR N N 526 115.841 116.369 -0.528 1
1 165 . 6 1 1 A 18 18 LYS H H 527 7.717 8.674 -0.957 1
1 166 . 6 1 1 A 18 18 LYS HA H 527 4.112 3.947 0.165 1
1 173 . 6 1 1 A 18 18 LYS CA C 527 59.922 59.849 0.073 1
1 174 . 6 1 1 A 18 18 LYS CB C 527 32.354 32.718 -0.364 1
1 176 . 6 1 1 A 18 18 LYS N N 527 123.034 121.432 1.602 1
1 177 . 6 1 1 A 19 19 GLN H H 528 8.319 7.630 0.689 1
1 178 . 6 1 1 A 19 19 GLN HA H 528 4.149 4.013 0.136 1
1 181 . 6 1 1 A 19 19 GLN C C 528 179.236 178.680 0.556 1
1 182 . 6 1 1 A 19 19 GLN CA C 528 59.397 58.907 0.490 1
1 183 . 6 1 1 A 19 19 GLN CB C 528 29.175 28.139 1.036 1
1 184 . 6 1 1 A 19 19 GLN N N 528 119.343 118.536 0.807 1
1 185 . 6 1 1 A 20 20 LEU H H 529 8.869 8.375 0.494 1
1 186 . 6 1 1 A 20 20 LEU HA H 529 4.102 3.987 0.115 1
1 192 . 6 1 1 A 20 20 LEU C C 529 179.709 178.716 0.993 1
1 193 . 6 1 1 A 20 20 LEU CA C 529 58.277 57.896 0.381 1
1 194 . 6 1 1 A 20 20 LEU CB C 529 41.808 41.388 0.420 1
1 195 . 6 1 1 A 20 20 LEU N N 529 121.333 120.055 1.278 1
1 196 . 6 1 1 A 21 21 LYS H H 530 8.126 8.540 -0.414 1
1 197 . 6 1 1 A 21 21 LYS HA H 530 4.097 3.813 0.284 1
1 199 . 6 1 1 A 21 21 LYS C C 530 178.925 178.944 -0.019 1
1 200 . 6 1 1 A 21 21 LYS CA C 530 60.168 60.018 0.150 1
1 201 . 6 1 1 A 21 21 LYS CB C 530 31.957 32.300 -0.343 1
1 202 . 6 1 1 A 21 21 LYS N N 530 122.900 120.157 2.743 1
1 203 . 6 1 1 A 22 22 GLU H H 531 8.138 8.000 0.138 1
1 204 . 6 1 1 A 22 22 GLU HA H 531 4.064 4.122 -0.058 1
1 208 . 6 1 1 A 22 22 GLU C C 531 179.710 179.247 0.463 1
1 209 . 6 1 1 A 22 22 GLU CA C 531 59.532 59.120 0.412 1
1 210 . 6 1 1 A 22 22 GLU CB C 531 29.446 29.452 -0.006 1
1 212 . 6 1 1 A 22 22 GLU N N 531 118.589 118.435 0.154 1
1 213 . 6 1 1 A 23 23 GLN H H 532 8.457 8.170 0.287 1
1 214 . 6 1 1 A 23 23 GLN HA H 532 4.139 4.051 0.088 1
1 216 . 6 1 1 A 23 23 GLN C C 532 178.498 179.117 -0.619 1
1 217 . 6 1 1 A 23 23 GLN CA C 532 58.563 58.718 -0.155 1
1 218 . 6 1 1 A 23 23 GLN CB C 532 28.911 28.419 0.492 1
1 219 . 6 1 1 A 23 23 GLN N N 532 118.059 119.323 -1.264 1
1 220 . 6 1 1 A 24 24 THR H H 533 8.325 7.950 0.375 1
1 221 . 6 1 1 A 24 24 THR HA H 533 4.106 4.018 0.088 1
1 226 . 6 1 1 A 24 24 THR C C 533 175.780 175.994 -0.214 1
1 227 . 6 1 1 A 24 24 THR CA C 533 67.023 66.992 0.031 1
1 229 . 6 1 1 A 24 24 THR N N 533 117.397 118.489 -1.092 1
1 230 . 6 1 1 A 25 25 VAL H H 534 7.935 7.956 -0.021 1
1 231 . 6 1 1 A 25 25 VAL HA H 534 3.696 3.751 -0.055 1
1 239 . 6 1 1 A 25 25 VAL C C 534 179.333 177.882 1.451 1
1 240 . 6 1 1 A 25 25 VAL CA C 534 66.691 65.776 0.915 1
1 243 . 6 1 1 A 25 25 VAL N N 534 121.196 117.736 3.460 1
1 244 . 6 1 1 A 26 26 GLU H H 535 7.814 8.291 -0.477 1
1 245 . 6 1 1 A 26 26 GLU HA H 535 4.113 4.046 0.067 1
1 249 . 6 1 1 A 26 26 GLU C C 535 178.221 178.825 -0.604 1
1 250 . 6 1 1 A 26 26 GLU CA C 535 59.597 59.139 0.458 1
1 251 . 6 1 1 A 26 26 GLU CB C 535 29.298 29.113 0.185 1
1 253 . 6 1 1 A 26 26 GLU N N 535 120.430 121.062 -0.632 1
1 254 . 6 1 1 A 27 27 ARG H H 536 8.367 7.621 0.746 1
1 255 . 6 1 1 A 27 27 ARG HA H 536 3.906 4.116 -0.210 1
1 260 . 6 1 1 A 27 27 ARG C C 536 178.119 178.432 -0.313 1
1 261 . 6 1 1 A 27 27 ARG CA C 536 60.845 58.750 2.095 1
1 262 . 6 1 1 A 27 27 ARG CB C 536 27.361 29.874 -2.513 1
1 265 . 6 1 1 A 27 27 ARG N N 536 120.564 120.044 0.520 1
1 266 . 6 1 1 A 28 28 VAL H H 537 8.452 8.374 0.078 1
1 267 . 6 1 1 A 28 28 VAL HA H 537 3.691 3.807 -0.116 1
1 275 . 6 1 1 A 28 28 VAL C C 537 178.392 178.238 0.154 1
1 276 . 6 1 1 A 28 28 VAL CA C 537 66.670 65.490 1.180 1
1 277 . 6 1 1 A 28 28 VAL CB C 537 31.795 31.642 0.153 1
1 280 . 6 1 1 A 28 28 VAL N N 537 120.076 118.748 1.328 1
1 281 . 6 1 1 A 29 29 THR H H 538 8.165 7.962 0.203 1
1 282 . 6 1 1 A 29 29 THR HA H 538 3.985 3.971 0.014 1
1 287 . 6 1 1 A 29 29 THR C C 538 177.201 176.583 0.618 1
1 288 . 6 1 1 A 29 29 THR CA C 538 66.936 66.919 0.017 1
1 289 . 6 1 1 A 29 29 THR CB C 538 68.772 67.792 0.980 1
1 291 . 6 1 1 A 29 29 THR N N 538 117.307 116.929 0.378 1
1 292 . 6 1 1 A 30 30 LEU H H 539 8.145 8.574 -0.429 1
1 293 . 6 1 1 A 30 30 LEU HA H 539 4.181 3.992 0.189 1
1 303 . 6 1 1 A 30 30 LEU C C 539 178.786 178.777 0.009 1
1 304 . 6 1 1 A 30 30 LEU CA C 539 58.312 58.161 0.151 1
1 305 . 6 1 1 A 30 30 LEU CB C 539 42.965 41.676 1.289 1
1 308 . 6 1 1 A 30 30 LEU N N 539 122.885 121.581 1.304 1
1 309 . 6 1 1 A 31 31 GLN H H 540 8.739 8.470 0.269 1
1 310 . 6 1 1 A 31 31 GLN HA H 540 3.976 4.162 -0.186 1
1 315 . 6 1 1 A 31 31 GLN C C 540 179.052 178.622 0.430 1
1 316 . 6 1 1 A 31 31 GLN CA C 540 59.485 59.235 0.250 1
1 317 . 6 1 1 A 31 31 GLN CB C 540 28.488 28.009 0.479 1
1 319 . 6 1 1 A 31 31 GLN N N 540 119.660 117.894 1.766 1
1 320 . 6 1 1 A 32 32 ASN H H 541 8.467 8.577 -0.110 1
1 321 . 6 1 1 A 32 32 ASN HA H 541 4.532 4.437 0.095 1
1 324 . 6 1 1 A 32 32 ASN C C 541 178.095 177.526 0.569 1
1 325 . 6 1 1 A 32 32 ASN CA C 541 56.010 56.619 -0.609 1
1 326 . 6 1 1 A 32 32 ASN CB C 541 37.881 39.137 -1.256 1
1 327 . 6 1 1 A 32 32 ASN N N 541 118.499 117.767 0.732 1
1 328 . 6 1 1 A 33 33 GLN H H 542 8.158 8.086 0.072 1
1 329 . 6 1 1 A 33 33 GLN HA H 542 4.029 4.080 -0.051 1
1 333 . 6 1 1 A 33 33 GLN C C 542 178.763 179.065 -0.302 1
1 334 . 6 1 1 A 33 33 GLN CA C 542 58.964 58.767 0.197 1
1 335 . 6 1 1 A 33 33 GLN CB C 542 28.949 28.342 0.607 1
1 337 . 6 1 1 A 33 33 GLN N N 542 121.150 118.287 2.863 1
1 338 . 6 1 1 A 34 34 LEU H H 543 8.606 8.613 -0.007 1
1 339 . 6 1 1 A 34 34 LEU HA H 543 4.140 4.308 -0.168 1
1 349 . 6 1 1 A 34 34 LEU C C 543 178.395 178.529 -0.134 1
1 350 . 6 1 1 A 34 34 LEU CA C 543 58.323 57.747 0.576 1
1 351 . 6 1 1 A 34 34 LEU CB C 543 41.979 41.654 0.325 1
1 355 . 6 1 1 A 34 34 LEU N N 543 120.557 121.330 -0.773 1
1 356 . 6 1 1 A 35 35 GLN H H 544 8.170 8.888 -0.718 1
1 357 . 6 1 1 A 35 35 GLN HA H 544 3.969 3.888 0.081 1
1 361 . 6 1 1 A 35 35 GLN C C 544 178.194 178.295 -0.101 1
1 362 . 6 1 1 A 35 35 GLN CA C 544 59.060 59.825 -0.765 1
1 363 . 6 1 1 A 35 35 GLN CB C 544 28.046 28.328 -0.282 1
1 365 . 6 1 1 A 35 35 GLN N N 544 117.978 118.848 -0.870 1
1 366 . 6 1 1 A 36 36 GLN H H 545 7.786 7.910 -0.124 1
1 367 . 6 1 1 A 36 36 GLN HA H 545 4.024 4.119 -0.095 1
1 371 . 6 1 1 A 36 36 GLN C C 545 178.864 178.604 0.260 1
1 372 . 6 1 1 A 36 36 GLN CA C 545 58.857 58.767 0.090 1
1 373 . 6 1 1 A 36 36 GLN CB C 545 28.112 28.230 -0.118 1
1 375 . 6 1 1 A 36 36 GLN N N 545 116.904 119.047 -2.143 1
1 376 . 6 1 1 A 37 37 PHE H H 546 7.734 8.635 -0.901 1
1 377 . 6 1 1 A 37 37 PHE HA H 546 4.233 4.211 0.022 1
1 382 . 6 1 1 A 37 37 PHE C C 546 178.078 177.556 0.522 1
1 383 . 6 1 1 A 37 37 PHE CA C 546 60.681 61.227 -0.546 1
1 384 . 6 1 1 A 37 37 PHE CB C 546 38.124 39.310 -1.186 1
1 385 . 6 1 1 A 37 37 PHE N N 546 119.594 121.326 -1.732 1
1 386 . 6 1 1 A 38 38 LEU H H 547 8.240 8.614 -0.374 1
1 387 . 6 1 1 A 38 38 LEU HA H 547 4.037 3.567 0.470 1
1 394 . 6 1 1 A 38 38 LEU C C 547 180.193 178.723 1.470 1
1 395 . 6 1 1 A 38 38 LEU CA C 547 57.303 58.014 -0.711 1
1 396 . 6 1 1 A 38 38 LEU CB C 547 41.519 41.064 0.455 1
1 398 . 6 1 1 A 38 38 LEU N N 547 119.925 118.842 1.083 1
1 399 . 6 1 1 A 39 39 GLU H H 548 8.273 8.314 -0.041 1
1 400 . 6 1 1 A 39 39 GLU HA H 548 4.083 3.969 0.114 1
1 403 . 6 1 1 A 39 39 GLU C C 548 178.417 179.243 -0.826 1
1 404 . 6 1 1 A 39 39 GLU CA C 548 58.494 59.405 -0.911 1
1 405 . 6 1 1 A 39 39 GLU CB C 548 29.238 28.843 0.395 1
1 407 . 6 1 1 A 39 39 GLU N N 548 119.463 119.341 0.122 1
1 408 . 6 1 1 A 40 40 ALA H H 549 7.714 8.536 -0.822 1
1 409 . 6 1 1 A 40 40 ALA HA H 549 4.244 4.009 0.235 1
1 413 . 6 1 1 A 40 40 ALA C C 549 179.123 179.903 -0.780 1
1 414 . 6 1 1 A 40 40 ALA CA C 549 53.829 54.954 -1.125 1
1 415 . 6 1 1 A 40 40 ALA CB C 549 18.330 18.286 0.044 1
1 416 . 6 1 1 A 40 40 ALA N N 549 122.046 122.621 -0.575 1
1 417 . 6 1 1 A 41 41 GLN H H 550 7.825 7.877 -0.052 1
1 418 . 6 1 1 A 41 41 GLN HA H 550 4.207 3.909 0.298 1
1 423 . 6 1 1 A 41 41 GLN C C 550 177.115 178.661 -1.546 1
1 424 . 6 1 1 A 41 41 GLN CA C 550 56.917 58.691 -1.774 1
1 425 . 6 1 1 A 41 41 GLN CB C 550 28.948 28.322 0.626 1
1 427 . 6 1 1 A 41 41 GLN N N 550 117.391 118.055 -0.664 1
1 428 . 6 1 1 A 42 42 LYS H H 551 7.905 7.651 0.254 1
1 429 . 6 1 1 A 42 42 LYS HA H 551 4.293 3.992 0.301 1
1 435 . 6 1 1 A 42 42 LYS C C 551 177.498 179.463 -1.965 1
1 436 . 6 1 1 A 42 42 LYS CA C 551 57.298 59.318 -2.020 1
1 437 . 6 1 1 A 42 42 LYS CB C 551 32.903 32.089 0.814 1
1 441 . 6 1 1 A 42 42 LYS N N 551 120.398 120.158 0.240 1
1 442 . 6 1 1 A 43 43 SER H H 552 8.144 8.294 -0.150 1
1 443 . 6 1 1 A 43 43 SER HA H 552 4.438 4.094 0.344 1
1 445 . 6 1 1 A 43 43 SER C C 552 174.871 176.933 -2.062 1
1 446 . 6 1 1 A 43 43 SER CA C 552 58.932 62.132 -3.200 1
1 447 . 6 1 1 A 43 43 SER CB C 552 63.785 62.892 0.893 1
1 448 . 6 1 1 A 43 43 SER N N 552 115.839 116.841 -1.002 1
1 449 . 6 1 1 A 44 44 GLU H H 553 8.267 8.372 -0.105 1
1 450 . 6 1 1 A 44 44 GLU HA H 553 4.300 4.054 0.246 1
1 454 . 6 1 1 A 44 44 GLU C C 553 177.103 180.032 -2.929 1
1 455 . 6 1 1 A 44 44 GLU CA C 553 56.940 59.087 -2.147 1
1 456 . 6 1 1 A 44 44 GLU CB C 553 29.992 29.002 0.990 1
1 458 . 6 1 1 A 44 44 GLU N N 553 122.271 121.491 0.780 1
1 459 . 6 1 1 A 45 45 GLY H H 554 8.384 8.080 0.304 1
1 460 . 6 1 1 A 45 45 GLY HA2 H 554 3.963 3.668 0.295 1
1 461 . 6 1 1 A 45 45 GLY HA3 H 554 3.963 3.675 0.288 1
1 462 . 6 1 1 A 45 45 GLY C C 554 174.201 175.844 -1.643 1
1 463 . 6 1 1 A 45 45 GLY CA C 554 45.474 46.634 -1.160 1
1 464 . 6 1 1 A 45 45 GLY N N 554 109.533 109.660 -0.127 1
1 465 . 6 1 1 A 46 46 LYS H H 555 8.064 9.152 -1.088 1
1 466 . 6 1 1 A 46 46 LYS HA H 555 4.417 4.112 0.305 1
1 472 . 6 1 1 A 46 46 LYS C C 555 176.485 178.934 -2.449 1
1 473 . 6 1 1 A 46 46 LYS CA C 555 56.017 58.287 -2.270 1
1 474 . 6 1 1 A 46 46 LYS CB C 555 33.281 31.698 1.583 1
1 477 . 6 1 1 A 46 46 LYS N N 555 120.660 120.497 0.163 1
1 478 . 6 1 1 A 47 47 SER H H 556 8.391 7.464 0.927 1
1 479 . 6 1 1 A 47 47 SER HA H 556 4.562 4.233 0.329 1
1 482 . 6 1 1 A 47 47 SER C C 556 173.556 174.464 -0.908 1
1 483 . 6 1 1 A 47 47 SER CA C 556 58.444 61.457 -3.013 1
1 484 . 6 1 1 A 47 47 SER CB C 556 64.149 63.767 0.382 1
1 485 . 6 1 1 A 47 47 SER N N 556 117.900 115.765 2.135 1
1 1 . 7 1 1 A 3 3 VAL H H 512 8.411 8.208 0.203 1
1 2 . 7 1 1 A 3 3 VAL HA H 512 4.140 3.772 0.368 1
1 7 . 7 1 1 A 3 3 VAL C C 512 176.681 177.363 -0.682 1
1 8 . 7 1 1 A 3 3 VAL CA C 512 63.248 64.996 -1.748 1
1 9 . 7 1 1 A 3 3 VAL CB C 512 32.219 31.465 0.754 1
1 11 . 7 1 1 A 3 3 VAL N N 512 121.730 119.810 1.920 1
1 12 . 7 1 1 A 4 4 GLU H H 513 8.552 8.318 0.234 1
1 13 . 7 1 1 A 4 4 GLU HA H 513 4.304 3.957 0.347 1
1 16 . 7 1 1 A 4 4 GLU C C 513 177.624 179.303 -1.679 1
1 17 . 7 1 1 A 4 4 GLU CA C 513 57.945 59.755 -1.810 1
1 18 . 7 1 1 A 4 4 GLU CB C 513 29.784 29.720 0.064 1
1 19 . 7 1 1 A 4 4 GLU N N 513 123.626 121.364 2.262 1
1 20 . 7 1 1 A 5 5 THR H H 514 8.341 7.829 0.512 1
1 21 . 7 1 1 A 5 5 THR HA H 514 4.364 3.870 0.494 1
1 26 . 7 1 1 A 5 5 THR C C 514 175.493 176.774 -1.281 1
1 27 . 7 1 1 A 5 5 THR CA C 514 62.824 67.073 -4.249 1
1 28 . 7 1 1 A 5 5 THR CB C 514 70.032 67.873 2.159 1
1 29 . 7 1 1 A 5 5 THR N N 514 114.159 116.414 -2.255 1
1 30 . 7 1 1 A 6 6 CYS H H 515 8.739 7.983 0.756 1
1 31 . 7 1 1 A 6 6 CYS HA H 515 4.692 4.089 0.603 1
1 34 . 7 1 1 A 6 6 CYS C C 515 178.959 177.101 1.858 1
1 35 . 7 1 1 A 6 6 CYS CA C 515 57.420 63.153 -5.733 1
1 36 . 7 1 1 A 6 6 CYS CB C 515 42.167 25.917 16.250 1
1 37 . 7 1 1 A 6 6 CYS N N 515 119.497 118.212 1.285 1
1 38 . 7 1 1 A 7 7 MET H H 516 8.380 8.321 0.059 1
1 39 . 7 1 1 A 7 7 MET HA H 516 4.250 4.174 0.076 1
1 44 . 7 1 1 A 7 7 MET C C 516 176.520 178.195 -1.675 1
1 45 . 7 1 1 A 7 7 MET CA C 516 58.813 58.063 0.750 1
1 46 . 7 1 1 A 7 7 MET CB C 516 32.214 31.943 0.271 1
1 47 . 7 1 1 A 7 7 MET N N 516 120.287 121.985 -1.698 1
1 48 . 7 1 1 A 8 8 SER H H 517 8.409 7.926 0.483 1
1 49 . 7 1 1 A 8 8 SER HA H 517 4.339 4.258 0.081 1
1 51 . 7 1 1 A 8 8 SER C C 517 177.818 176.699 1.119 1
1 52 . 7 1 1 A 8 8 SER CA C 517 61.119 61.173 -0.054 1
1 53 . 7 1 1 A 8 8 SER CB C 517 62.384 62.964 -0.580 1
1 54 . 7 1 1 A 8 8 SER N N 517 116.219 114.308 1.911 1
1 55 . 7 1 1 A 9 9 LEU H H 518 8.017 8.287 -0.270 1
1 56 . 7 1 1 A 9 9 LEU HA H 518 4.144 4.021 0.123 1
1 66 . 7 1 1 A 9 9 LEU C C 518 178.577 179.026 -0.449 1
1 67 . 7 1 1 A 9 9 LEU CA C 518 57.927 57.801 0.126 1
1 68 . 7 1 1 A 9 9 LEU CB C 518 42.987 41.310 1.677 1
1 70 . 7 1 1 A 9 9 LEU N N 518 122.883 119.951 2.932 1
1 71 . 7 1 1 A 10 10 ALA H H 519 8.085 8.498 -0.413 1
1 72 . 7 1 1 A 10 10 ALA HA H 519 4.044 4.126 -0.082 1
1 76 . 7 1 1 A 10 10 ALA C C 519 180.731 179.689 1.042 1
1 77 . 7 1 1 A 10 10 ALA CA C 519 55.810 55.311 0.499 1
1 78 . 7 1 1 A 10 10 ALA CB C 519 17.616 17.793 -0.177 1
1 79 . 7 1 1 A 10 10 ALA N N 519 121.112 121.933 -0.821 1
1 80 . 7 1 1 A 11 11 SER H H 520 7.998 8.109 -0.111 1
1 81 . 7 1 1 A 11 11 SER HA H 520 4.283 4.169 0.114 1
1 83 . 7 1 1 A 11 11 SER C C 520 177.283 176.562 0.721 1
1 84 . 7 1 1 A 11 11 SER CA C 520 61.279 61.503 -0.224 1
1 85 . 7 1 1 A 11 11 SER CB C 520 62.764 62.467 0.297 1
1 86 . 7 1 1 A 11 11 SER N N 520 113.163 113.103 0.060 1
1 87 . 7 1 1 A 12 12 GLN H H 521 8.082 7.810 0.272 1
1 88 . 7 1 1 A 12 12 GLN HA H 521 4.163 4.011 0.152 1
1 93 . 7 1 1 A 12 12 GLN C C 521 178.439 178.344 0.095 1
1 94 . 7 1 1 A 12 12 GLN CA C 521 59.321 58.602 0.719 1
1 95 . 7 1 1 A 12 12 GLN CB C 521 28.932 28.788 0.144 1
1 97 . 7 1 1 A 12 12 GLN N N 521 123.452 121.241 2.211 1
1 98 . 7 1 1 A 13 13 VAL H H 522 8.289 8.398 -0.109 1
1 99 . 7 1 1 A 13 13 VAL HA H 522 3.489 3.628 -0.139 1
1 107 . 7 1 1 A 13 13 VAL C C 522 179.392 178.319 1.073 1
1 108 . 7 1 1 A 13 13 VAL CA C 522 67.895 66.380 1.515 1
1 109 . 7 1 1 A 13 13 VAL CB C 522 31.597 31.496 0.101 1
1 112 . 7 1 1 A 13 13 VAL N N 522 119.508 119.714 -0.206 1
1 113 . 7 1 1 A 14 14 VAL H H 523 7.651 8.292 -0.641 1
1 114 . 7 1 1 A 14 14 VAL HA H 523 3.674 3.546 0.128 1
1 122 . 7 1 1 A 14 14 VAL C C 523 178.592 177.842 0.750 1
1 123 . 7 1 1 A 14 14 VAL CA C 523 67.190 66.585 0.605 1
1 124 . 7 1 1 A 14 14 VAL CB C 523 31.892 31.373 0.519 1
1 126 . 7 1 1 A 14 14 VAL N N 523 122.425 120.510 1.915 1
1 127 . 7 1 1 A 15 15 LYS H H 524 7.919 8.030 -0.111 1
1 128 . 7 1 1 A 15 15 LYS HA H 524 4.066 3.951 0.115 1
1 134 . 7 1 1 A 15 15 LYS C C 524 179.521 179.693 -0.172 1
1 135 . 7 1 1 A 15 15 LYS CA C 524 60.001 59.781 0.220 1
1 136 . 7 1 1 A 15 15 LYS CB C 524 32.693 32.270 0.423 1
1 139 . 7 1 1 A 15 15 LYS N N 524 120.960 119.160 1.800 1
1 140 . 7 1 1 A 16 16 LEU H H 525 8.939 8.346 0.593 1
1 141 . 7 1 1 A 16 16 LEU HA H 525 4.164 4.038 0.126 1
1 148 . 7 1 1 A 16 16 LEU C C 525 179.118 179.329 -0.211 1
1 149 . 7 1 1 A 16 16 LEU CA C 525 58.071 57.974 0.097 1
1 150 . 7 1 1 A 16 16 LEU CB C 525 43.853 41.897 1.956 1
1 153 . 7 1 1 A 16 16 LEU N N 525 119.646 120.638 -0.992 1
1 154 . 7 1 1 A 17 17 THR H H 526 8.311 8.456 -0.145 1
1 155 . 7 1 1 A 17 17 THR HA H 526 3.822 3.946 -0.124 1
1 160 . 7 1 1 A 17 17 THR C C 526 176.638 176.760 -0.122 1
1 161 . 7 1 1 A 17 17 THR CA C 526 67.923 65.293 2.630 1
1 162 . 7 1 1 A 17 17 THR CB C 526 68.655 68.827 -0.172 1
1 164 . 7 1 1 A 17 17 THR N N 526 115.841 113.036 2.805 1
1 165 . 7 1 1 A 18 18 LYS H H 527 7.717 8.143 -0.426 1
1 166 . 7 1 1 A 18 18 LYS HA H 527 4.112 3.916 0.196 1
1 173 . 7 1 1 A 18 18 LYS CA C 527 59.922 59.159 0.763 1
1 174 . 7 1 1 A 18 18 LYS CB C 527 32.354 32.113 0.241 1
1 176 . 7 1 1 A 18 18 LYS N N 527 123.034 120.865 2.169 1
1 177 . 7 1 1 A 19 19 GLN H H 528 8.319 7.891 0.428 1
1 178 . 7 1 1 A 19 19 GLN HA H 528 4.149 4.017 0.132 1
1 181 . 7 1 1 A 19 19 GLN C C 528 179.236 178.783 0.453 1
1 182 . 7 1 1 A 19 19 GLN CA C 528 59.397 58.910 0.487 1
1 183 . 7 1 1 A 19 19 GLN CB C 528 29.175 28.096 1.079 1
1 184 . 7 1 1 A 19 19 GLN N N 528 119.343 118.606 0.737 1
1 185 . 7 1 1 A 20 20 LEU H H 529 8.869 8.562 0.307 1
1 186 . 7 1 1 A 20 20 LEU HA H 529 4.102 3.985 0.117 1
1 192 . 7 1 1 A 20 20 LEU C C 529 179.709 179.474 0.235 1
1 193 . 7 1 1 A 20 20 LEU CA C 529 58.277 57.908 0.369 1
1 194 . 7 1 1 A 20 20 LEU CB C 529 41.808 41.510 0.298 1
1 195 . 7 1 1 A 20 20 LEU N N 529 121.333 120.271 1.062 1
1 196 . 7 1 1 A 21 21 LYS H H 530 8.126 8.043 0.083 1
1 197 . 7 1 1 A 21 21 LYS HA H 530 4.097 3.966 0.131 1
1 199 . 7 1 1 A 21 21 LYS C C 530 178.925 179.878 -0.953 1
1 200 . 7 1 1 A 21 21 LYS CA C 530 60.168 60.235 -0.067 1
1 201 . 7 1 1 A 21 21 LYS CB C 530 31.957 32.144 -0.187 1
1 202 . 7 1 1 A 21 21 LYS N N 530 122.900 117.944 4.956 1
1 203 . 7 1 1 A 22 22 GLU H H 531 8.138 8.736 -0.598 1
1 204 . 7 1 1 A 22 22 GLU HA H 531 4.064 4.041 0.023 1
1 208 . 7 1 1 A 22 22 GLU C C 531 179.710 179.366 0.344 1
1 209 . 7 1 1 A 22 22 GLU CA C 531 59.532 59.295 0.237 1
1 210 . 7 1 1 A 22 22 GLU CB C 531 29.446 29.355 0.091 1
1 212 . 7 1 1 A 22 22 GLU N N 531 118.589 120.071 -1.482 1
1 213 . 7 1 1 A 23 23 GLN H H 532 8.457 8.065 0.392 1
1 214 . 7 1 1 A 23 23 GLN HA H 532 4.139 4.094 0.045 1
1 216 . 7 1 1 A 23 23 GLN C C 532 178.498 178.708 -0.210 1
1 217 . 7 1 1 A 23 23 GLN CA C 532 58.563 58.512 0.051 1
1 218 . 7 1 1 A 23 23 GLN CB C 532 28.911 28.304 0.607 1
1 219 . 7 1 1 A 23 23 GLN N N 532 118.059 119.844 -1.785 1
1 220 . 7 1 1 A 24 24 THR H H 533 8.325 7.940 0.385 1
1 221 . 7 1 1 A 24 24 THR HA H 533 4.106 4.005 0.101 1
1 226 . 7 1 1 A 24 24 THR C C 533 175.780 176.308 -0.528 1
1 227 . 7 1 1 A 24 24 THR CA C 533 67.023 67.002 0.021 1
1 229 . 7 1 1 A 24 24 THR N N 533 117.397 117.339 0.058 1
1 230 . 7 1 1 A 25 25 VAL H H 534 7.935 8.148 -0.213 1
1 231 . 7 1 1 A 25 25 VAL HA H 534 3.696 3.723 -0.027 1
1 239 . 7 1 1 A 25 25 VAL C C 534 179.333 177.849 1.484 1
1 240 . 7 1 1 A 25 25 VAL CA C 534 66.691 65.973 0.718 1
1 243 . 7 1 1 A 25 25 VAL N N 534 121.196 117.528 3.668 1
1 244 . 7 1 1 A 26 26 GLU H H 535 7.814 8.324 -0.510 1
1 245 . 7 1 1 A 26 26 GLU HA H 535 4.113 4.033 0.080 1
1 249 . 7 1 1 A 26 26 GLU C C 535 178.221 178.835 -0.614 1
1 250 . 7 1 1 A 26 26 GLU CA C 535 59.597 59.009 0.588 1
1 251 . 7 1 1 A 26 26 GLU CB C 535 29.298 29.028 0.270 1
1 253 . 7 1 1 A 26 26 GLU N N 535 120.430 121.027 -0.597 1
1 254 . 7 1 1 A 27 27 ARG H H 536 8.367 7.873 0.494 1
1 255 . 7 1 1 A 27 27 ARG HA H 536 3.906 4.169 -0.263 1
1 260 . 7 1 1 A 27 27 ARG C C 536 178.119 178.479 -0.360 1
1 261 . 7 1 1 A 27 27 ARG CA C 536 60.845 58.637 2.208 1
1 262 . 7 1 1 A 27 27 ARG CB C 536 27.361 29.975 -2.614 1
1 265 . 7 1 1 A 27 27 ARG N N 536 120.564 120.158 0.406 1
1 266 . 7 1 1 A 28 28 VAL H H 537 8.452 8.225 0.227 1
1 267 . 7 1 1 A 28 28 VAL HA H 537 3.691 3.809 -0.118 1
1 275 . 7 1 1 A 28 28 VAL C C 537 178.392 178.253 0.139 1
1 276 . 7 1 1 A 28 28 VAL CA C 537 66.670 65.488 1.182 1
1 277 . 7 1 1 A 28 28 VAL CB C 537 31.795 31.653 0.142 1
1 280 . 7 1 1 A 28 28 VAL N N 537 120.076 118.779 1.297 1
1 281 . 7 1 1 A 29 29 THR H H 538 8.165 7.981 0.184 1
1 282 . 7 1 1 A 29 29 THR HA H 538 3.985 3.931 0.054 1
1 287 . 7 1 1 A 29 29 THR C C 538 177.201 176.437 0.764 1
1 288 . 7 1 1 A 29 29 THR CA C 538 66.936 66.922 0.014 1
1 289 . 7 1 1 A 29 29 THR CB C 538 68.772 67.797 0.975 1
1 291 . 7 1 1 A 29 29 THR N N 538 117.307 116.949 0.358 1
1 292 . 7 1 1 A 30 30 LEU H H 539 8.145 8.677 -0.532 1
1 293 . 7 1 1 A 30 30 LEU HA H 539 4.181 3.962 0.219 1
1 303 . 7 1 1 A 30 30 LEU C C 539 178.786 178.806 -0.020 1
1 304 . 7 1 1 A 30 30 LEU CA C 539 58.312 58.198 0.114 1
1 305 . 7 1 1 A 30 30 LEU CB C 539 42.965 41.498 1.467 1
1 308 . 7 1 1 A 30 30 LEU N N 539 122.885 121.405 1.480 1
1 309 . 7 1 1 A 31 31 GLN H H 540 8.739 8.463 0.276 1
1 310 . 7 1 1 A 31 31 GLN HA H 540 3.976 3.973 0.003 1
1 315 . 7 1 1 A 31 31 GLN C C 540 179.052 178.508 0.544 1
1 316 . 7 1 1 A 31 31 GLN CA C 540 59.485 59.212 0.273 1
1 317 . 7 1 1 A 31 31 GLN CB C 540 28.488 28.272 0.216 1
1 319 . 7 1 1 A 31 31 GLN N N 540 119.660 118.236 1.424 1
1 320 . 7 1 1 A 32 32 ASN H H 541 8.467 8.081 0.386 1
1 321 . 7 1 1 A 32 32 ASN HA H 541 4.532 4.450 0.082 1
1 324 . 7 1 1 A 32 32 ASN C C 541 178.095 177.838 0.257 1
1 325 . 7 1 1 A 32 32 ASN CA C 541 56.010 56.514 -0.504 1
1 326 . 7 1 1 A 32 32 ASN CB C 541 37.881 38.462 -0.581 1
1 327 . 7 1 1 A 32 32 ASN N N 541 118.499 117.975 0.524 1
1 328 . 7 1 1 A 33 33 GLN H H 542 8.158 7.952 0.206 1
1 329 . 7 1 1 A 33 33 GLN HA H 542 4.029 4.073 -0.044 1
1 333 . 7 1 1 A 33 33 GLN C C 542 178.763 178.995 -0.232 1
1 334 . 7 1 1 A 33 33 GLN CA C 542 58.964 58.818 0.146 1
1 335 . 7 1 1 A 33 33 GLN CB C 542 28.949 28.258 0.691 1
1 337 . 7 1 1 A 33 33 GLN N N 542 121.150 118.510 2.640 1
1 338 . 7 1 1 A 34 34 LEU H H 543 8.606 8.885 -0.279 1
1 339 . 7 1 1 A 34 34 LEU HA H 543 4.140 4.283 -0.143 1
1 349 . 7 1 1 A 34 34 LEU C C 543 178.395 178.356 0.039 1
1 350 . 7 1 1 A 34 34 LEU CA C 543 58.323 57.628 0.695 1
1 351 . 7 1 1 A 34 34 LEU CB C 543 41.979 41.696 0.283 1
1 355 . 7 1 1 A 34 34 LEU N N 543 120.557 121.633 -1.076 1
1 356 . 7 1 1 A 35 35 GLN H H 544 8.170 8.862 -0.692 1
1 357 . 7 1 1 A 35 35 GLN HA H 544 3.969 3.953 0.016 1
1 361 . 7 1 1 A 35 35 GLN C C 544 178.194 178.556 -0.362 1
1 362 . 7 1 1 A 35 35 GLN CA C 544 59.060 59.550 -0.490 1
1 363 . 7 1 1 A 35 35 GLN CB C 544 28.046 28.196 -0.150 1
1 365 . 7 1 1 A 35 35 GLN N N 544 117.978 118.894 -0.916 1
1 366 . 7 1 1 A 36 36 GLN H H 545 7.786 8.240 -0.454 1
1 367 . 7 1 1 A 36 36 GLN HA H 545 4.024 4.083 -0.059 1
1 371 . 7 1 1 A 36 36 GLN C C 545 178.864 178.437 0.427 1
1 372 . 7 1 1 A 36 36 GLN CA C 545 58.857 58.911 -0.054 1
1 373 . 7 1 1 A 36 36 GLN CB C 545 28.112 28.245 -0.133 1
1 375 . 7 1 1 A 36 36 GLN N N 545 116.904 118.516 -1.612 1
1 376 . 7 1 1 A 37 37 PHE H H 546 7.734 8.310 -0.576 1
1 377 . 7 1 1 A 37 37 PHE HA H 546 4.233 4.241 -0.008 1
1 382 . 7 1 1 A 37 37 PHE C C 546 178.078 177.683 0.395 1
1 383 . 7 1 1 A 37 37 PHE CA C 546 60.681 61.063 -0.382 1
1 384 . 7 1 1 A 37 37 PHE CB C 546 38.124 39.299 -1.175 1
1 385 . 7 1 1 A 37 37 PHE N N 546 119.594 122.651 -3.057 1
1 386 . 7 1 1 A 38 38 LEU H H 547 8.240 8.478 -0.238 1
1 387 . 7 1 1 A 38 38 LEU HA H 547 4.037 3.480 0.557 1
1 394 . 7 1 1 A 38 38 LEU C C 547 180.193 178.619 1.574 1
1 395 . 7 1 1 A 38 38 LEU CA C 547 57.303 58.157 -0.854 1
1 396 . 7 1 1 A 38 38 LEU CB C 547 41.519 41.229 0.290 1
1 398 . 7 1 1 A 38 38 LEU N N 547 119.925 118.862 1.063 1
1 399 . 7 1 1 A 39 39 GLU H H 548 8.273 8.663 -0.390 1
1 400 . 7 1 1 A 39 39 GLU HA H 548 4.083 3.965 0.118 1
1 403 . 7 1 1 A 39 39 GLU C C 548 178.417 179.201 -0.784 1
1 404 . 7 1 1 A 39 39 GLU CA C 548 58.494 59.549 -1.055 1
1 405 . 7 1 1 A 39 39 GLU CB C 548 29.238 29.265 -0.027 1
1 407 . 7 1 1 A 39 39 GLU N N 548 119.463 119.451 0.012 1
1 408 . 7 1 1 A 40 40 ALA H H 549 7.714 8.258 -0.544 1
1 409 . 7 1 1 A 40 40 ALA HA H 549 4.244 4.077 0.167 1
1 413 . 7 1 1 A 40 40 ALA C C 549 179.123 179.689 -0.566 1
1 414 . 7 1 1 A 40 40 ALA CA C 549 53.829 54.900 -1.071 1
1 415 . 7 1 1 A 40 40 ALA CB C 549 18.330 18.468 -0.138 1
1 416 . 7 1 1 A 40 40 ALA N N 549 122.046 122.642 -0.596 1
1 417 . 7 1 1 A 41 41 GLN H H 550 7.825 7.577 0.248 1
1 418 . 7 1 1 A 41 41 GLN HA H 550 4.207 3.992 0.215 1
1 423 . 7 1 1 A 41 41 GLN C C 550 177.115 178.367 -1.252 1
1 424 . 7 1 1 A 41 41 GLN CA C 550 56.917 58.454 -1.537 1
1 425 . 7 1 1 A 41 41 GLN CB C 550 28.948 28.020 0.928 1
1 427 . 7 1 1 A 41 41 GLN N N 550 117.391 118.479 -1.088 1
1 428 . 7 1 1 A 42 42 LYS H H 551 7.905 7.784 0.121 1
1 429 . 7 1 1 A 42 42 LYS HA H 551 4.293 4.015 0.278 1
1 435 . 7 1 1 A 42 42 LYS C C 551 177.498 179.391 -1.893 1
1 436 . 7 1 1 A 42 42 LYS CA C 551 57.298 59.261 -1.963 1
1 437 . 7 1 1 A 42 42 LYS CB C 551 32.903 32.207 0.696 1
1 441 . 7 1 1 A 42 42 LYS N N 551 120.398 120.662 -0.264 1
1 442 . 7 1 1 A 43 43 SER H H 552 8.144 8.066 0.078 1
1 443 . 7 1 1 A 43 43 SER HA H 552 4.438 4.089 0.349 1
1 445 . 7 1 1 A 43 43 SER C C 552 174.871 176.869 -1.998 1
1 446 . 7 1 1 A 43 43 SER CA C 552 58.932 62.020 -3.088 1
1 447 . 7 1 1 A 43 43 SER CB C 552 63.785 62.839 0.946 1
1 448 . 7 1 1 A 43 43 SER N N 552 115.839 116.929 -1.090 1
1 449 . 7 1 1 A 44 44 GLU H H 553 8.267 8.598 -0.331 1
1 450 . 7 1 1 A 44 44 GLU HA H 553 4.300 4.033 0.267 1
1 454 . 7 1 1 A 44 44 GLU C C 553 177.103 179.950 -2.847 1
1 455 . 7 1 1 A 44 44 GLU CA C 553 56.940 59.419 -2.479 1
1 456 . 7 1 1 A 44 44 GLU CB C 553 29.992 29.091 0.901 1
1 458 . 7 1 1 A 44 44 GLU N N 553 122.271 121.510 0.761 1
1 459 . 7 1 1 A 45 45 GLY H H 554 8.384 8.587 -0.203 1
1 460 . 7 1 1 A 45 45 GLY HA2 H 554 3.963 3.667 0.296 1
1 461 . 7 1 1 A 45 45 GLY HA3 H 554 3.963 3.673 0.290 1
1 462 . 7 1 1 A 45 45 GLY C C 554 174.201 175.894 -1.693 1
1 463 . 7 1 1 A 45 45 GLY CA C 554 45.474 47.034 -1.560 1
1 464 . 7 1 1 A 45 45 GLY N N 554 109.533 109.225 0.308 1
1 465 . 7 1 1 A 46 46 LYS H H 555 8.064 8.849 -0.785 1
1 466 . 7 1 1 A 46 46 LYS HA H 555 4.417 4.067 0.350 1
1 472 . 7 1 1 A 46 46 LYS C C 555 176.485 178.709 -2.224 1
1 473 . 7 1 1 A 46 46 LYS CA C 555 56.017 58.664 -2.647 1
1 474 . 7 1 1 A 46 46 LYS CB C 555 33.281 31.540 1.741 1
1 477 . 7 1 1 A 46 46 LYS N N 555 120.660 120.979 -0.319 1
1 478 . 7 1 1 A 47 47 SER H H 556 8.391 7.493 0.898 1
1 479 . 7 1 1 A 47 47 SER HA H 556 4.562 4.309 0.253 1
1 482 . 7 1 1 A 47 47 SER C C 556 173.556 175.049 -1.493 1
1 483 . 7 1 1 A 47 47 SER CA C 556 58.444 61.252 -2.808 1
1 484 . 7 1 1 A 47 47 SER CB C 556 64.149 62.844 1.305 1
1 485 . 7 1 1 A 47 47 SER N N 556 117.900 115.290 2.610 1
1 1 . 8 1 1 A 3 3 VAL H H 512 8.411 8.743 -0.332 1
1 2 . 8 1 1 A 3 3 VAL HA H 512 4.140 3.555 0.585 1
1 7 . 8 1 1 A 3 3 VAL C C 512 176.681 178.438 -1.757 1
1 8 . 8 1 1 A 3 3 VAL CA C 512 63.248 66.766 -3.518 1
1 9 . 8 1 1 A 3 3 VAL CB C 512 32.219 31.646 0.573 1
1 11 . 8 1 1 A 3 3 VAL N N 512 121.730 121.004 0.726 1
1 12 . 8 1 1 A 4 4 GLU H H 513 8.552 8.479 0.073 1
1 13 . 8 1 1 A 4 4 GLU HA H 513 4.304 4.115 0.189 1
1 16 . 8 1 1 A 4 4 GLU C C 513 177.624 178.643 -1.019 1
1 17 . 8 1 1 A 4 4 GLU CA C 513 57.945 58.811 -0.866 1
1 18 . 8 1 1 A 4 4 GLU CB C 513 29.784 29.381 0.403 1
1 19 . 8 1 1 A 4 4 GLU N N 513 123.626 119.791 3.835 1
1 20 . 8 1 1 A 5 5 THR H H 514 8.341 7.598 0.743 1
1 21 . 8 1 1 A 5 5 THR HA H 514 4.364 4.077 0.287 1
1 26 . 8 1 1 A 5 5 THR C C 514 175.493 176.622 -1.129 1
1 27 . 8 1 1 A 5 5 THR CA C 514 62.824 66.539 -3.715 1
1 28 . 8 1 1 A 5 5 THR CB C 514 70.032 69.031 1.001 1
1 29 . 8 1 1 A 5 5 THR N N 514 114.159 116.292 -2.133 1
1 30 . 8 1 1 A 6 6 CYS H H 515 8.739 8.219 0.520 1
1 31 . 8 1 1 A 6 6 CYS HA H 515 4.692 4.163 0.529 1
1 34 . 8 1 1 A 6 6 CYS C C 515 178.959 177.065 1.894 1
1 35 . 8 1 1 A 6 6 CYS CA C 515 57.420 62.726 -5.306 1
1 36 . 8 1 1 A 6 6 CYS CB C 515 42.167 26.771 15.396 1
1 37 . 8 1 1 A 6 6 CYS N N 515 119.497 118.346 1.151 1
1 38 . 8 1 1 A 7 7 MET H H 516 8.380 8.473 -0.093 1
1 39 . 8 1 1 A 7 7 MET HA H 516 4.250 4.168 0.082 1
1 44 . 8 1 1 A 7 7 MET C C 516 176.520 178.187 -1.667 1
1 45 . 8 1 1 A 7 7 MET CA C 516 58.813 58.066 0.747 1
1 46 . 8 1 1 A 7 7 MET CB C 516 32.214 32.010 0.204 1
1 47 . 8 1 1 A 7 7 MET N N 516 120.287 122.005 -1.718 1
1 48 . 8 1 1 A 8 8 SER H H 517 8.409 7.994 0.415 1
1 49 . 8 1 1 A 8 8 SER HA H 517 4.339 4.295 0.044 1
1 51 . 8 1 1 A 8 8 SER C C 517 177.818 176.729 1.089 1
1 52 . 8 1 1 A 8 8 SER CA C 517 61.119 61.232 -0.113 1
1 53 . 8 1 1 A 8 8 SER CB C 517 62.384 62.951 -0.567 1
1 54 . 8 1 1 A 8 8 SER N N 517 116.219 114.306 1.913 1
1 55 . 8 1 1 A 9 9 LEU H H 518 8.017 7.845 0.172 1
1 56 . 8 1 1 A 9 9 LEU HA H 518 4.144 4.033 0.111 1
1 66 . 8 1 1 A 9 9 LEU C C 518 178.577 179.063 -0.486 1
1 67 . 8 1 1 A 9 9 LEU CA C 518 57.927 57.823 0.104 1
1 68 . 8 1 1 A 9 9 LEU CB C 518 42.987 41.254 1.733 1
1 70 . 8 1 1 A 9 9 LEU N N 518 122.883 119.950 2.933 1
1 71 . 8 1 1 A 10 10 ALA H H 519 8.085 8.584 -0.499 1
1 72 . 8 1 1 A 10 10 ALA HA H 519 4.044 4.071 -0.027 1
1 76 . 8 1 1 A 10 10 ALA C C 519 180.731 179.718 1.013 1
1 77 . 8 1 1 A 10 10 ALA CA C 519 55.810 55.285 0.525 1
1 78 . 8 1 1 A 10 10 ALA CB C 519 17.616 17.761 -0.145 1
1 79 . 8 1 1 A 10 10 ALA N N 519 121.112 122.156 -1.044 1
1 80 . 8 1 1 A 11 11 SER H H 520 7.998 8.200 -0.202 1
1 81 . 8 1 1 A 11 11 SER HA H 520 4.283 4.169 0.114 1
1 83 . 8 1 1 A 11 11 SER C C 520 177.283 176.647 0.636 1
1 84 . 8 1 1 A 11 11 SER CA C 520 61.279 61.487 -0.208 1
1 85 . 8 1 1 A 11 11 SER CB C 520 62.764 62.559 0.205 1
1 86 . 8 1 1 A 11 11 SER N N 520 113.163 113.084 0.079 1
1 87 . 8 1 1 A 12 12 GLN H H 521 8.082 8.054 0.028 1
1 88 . 8 1 1 A 12 12 GLN HA H 521 4.163 3.982 0.181 1
1 93 . 8 1 1 A 12 12 GLN C C 521 178.439 178.327 0.112 1
1 94 . 8 1 1 A 12 12 GLN CA C 521 59.321 58.627 0.694 1
1 95 . 8 1 1 A 12 12 GLN CB C 521 28.932 28.499 0.433 1
1 97 . 8 1 1 A 12 12 GLN N N 521 123.452 121.251 2.201 1
1 98 . 8 1 1 A 13 13 VAL H H 522 8.289 8.121 0.168 1
1 99 . 8 1 1 A 13 13 VAL HA H 522 3.489 3.663 -0.174 1
1 107 . 8 1 1 A 13 13 VAL C C 522 179.392 178.327 1.065 1
1 108 . 8 1 1 A 13 13 VAL CA C 522 67.895 66.355 1.540 1
1 109 . 8 1 1 A 13 13 VAL CB C 522 31.597 31.541 0.056 1
1 112 . 8 1 1 A 13 13 VAL N N 522 119.508 119.722 -0.214 1
1 113 . 8 1 1 A 14 14 VAL H H 523 7.651 8.154 -0.503 1
1 114 . 8 1 1 A 14 14 VAL HA H 523 3.674 3.548 0.126 1
1 122 . 8 1 1 A 14 14 VAL C C 523 178.592 177.738 0.854 1
1 123 . 8 1 1 A 14 14 VAL CA C 523 67.190 66.754 0.436 1
1 124 . 8 1 1 A 14 14 VAL CB C 523 31.892 31.267 0.625 1
1 126 . 8 1 1 A 14 14 VAL N N 523 122.425 120.468 1.957 1
1 127 . 8 1 1 A 15 15 LYS H H 524 7.919 8.121 -0.202 1
1 128 . 8 1 1 A 15 15 LYS HA H 524 4.066 3.944 0.122 1
1 134 . 8 1 1 A 15 15 LYS C C 524 179.521 179.619 -0.098 1
1 135 . 8 1 1 A 15 15 LYS CA C 524 60.001 60.092 -0.091 1
1 136 . 8 1 1 A 15 15 LYS CB C 524 32.693 32.297 0.396 1
1 139 . 8 1 1 A 15 15 LYS N N 524 120.960 119.440 1.520 1
1 140 . 8 1 1 A 16 16 LEU H H 525 8.939 8.339 0.600 1
1 141 . 8 1 1 A 16 16 LEU HA H 525 4.164 4.062 0.102 1
1 148 . 8 1 1 A 16 16 LEU C C 525 179.118 178.855 0.263 1
1 149 . 8 1 1 A 16 16 LEU CA C 525 58.071 57.879 0.192 1
1 150 . 8 1 1 A 16 16 LEU CB C 525 43.853 41.596 2.257 1
1 153 . 8 1 1 A 16 16 LEU N N 525 119.646 120.834 -1.188 1
1 154 . 8 1 1 A 17 17 THR H H 526 8.311 8.494 -0.183 1
1 155 . 8 1 1 A 17 17 THR HA H 526 3.822 4.036 -0.214 1
1 160 . 8 1 1 A 17 17 THR C C 526 176.638 176.216 0.422 1
1 161 . 8 1 1 A 17 17 THR CA C 526 67.923 66.698 1.225 1
1 162 . 8 1 1 A 17 17 THR CB C 526 68.655 68.262 0.393 1
1 164 . 8 1 1 A 17 17 THR N N 526 115.841 114.837 1.004 1
1 165 . 8 1 1 A 18 18 LYS H H 527 7.717 8.174 -0.457 1
1 166 . 8 1 1 A 18 18 LYS HA H 527 4.112 3.959 0.153 1
1 173 . 8 1 1 A 18 18 LYS CA C 527 59.922 59.538 0.384 1
1 174 . 8 1 1 A 18 18 LYS CB C 527 32.354 32.306 0.048 1
1 176 . 8 1 1 A 18 18 LYS N N 527 123.034 121.000 2.034 1
1 177 . 8 1 1 A 19 19 GLN H H 528 8.319 7.980 0.339 1
1 178 . 8 1 1 A 19 19 GLN HA H 528 4.149 4.033 0.116 1
1 181 . 8 1 1 A 19 19 GLN C C 528 179.236 179.066 0.170 1
1 182 . 8 1 1 A 19 19 GLN CA C 528 59.397 58.690 0.707 1
1 183 . 8 1 1 A 19 19 GLN CB C 528 29.175 27.755 1.420 1
1 184 . 8 1 1 A 19 19 GLN N N 528 119.343 118.490 0.853 1
1 185 . 8 1 1 A 20 20 LEU H H 529 8.869 8.510 0.359 1
1 186 . 8 1 1 A 20 20 LEU HA H 529 4.102 4.022 0.080 1
1 192 . 8 1 1 A 20 20 LEU C C 529 179.709 179.181 0.528 1
1 193 . 8 1 1 A 20 20 LEU CA C 529 58.277 57.941 0.336 1
1 194 . 8 1 1 A 20 20 LEU CB C 529 41.808 41.128 0.680 1
1 195 . 8 1 1 A 20 20 LEU N N 529 121.333 120.149 1.184 1
1 196 . 8 1 1 A 21 21 LYS H H 530 8.126 8.382 -0.256 1
1 197 . 8 1 1 A 21 21 LYS HA H 530 4.097 3.826 0.271 1
1 199 . 8 1 1 A 21 21 LYS C C 530 178.925 179.639 -0.714 1
1 200 . 8 1 1 A 21 21 LYS CA C 530 60.168 60.459 -0.291 1
1 201 . 8 1 1 A 21 21 LYS CB C 530 31.957 32.297 -0.340 1
1 202 . 8 1 1 A 21 21 LYS N N 530 122.900 117.409 5.491 1
1 203 . 8 1 1 A 22 22 GLU H H 531 8.138 8.464 -0.326 1
1 204 . 8 1 1 A 22 22 GLU HA H 531 4.064 4.084 -0.020 1
1 208 . 8 1 1 A 22 22 GLU C C 531 179.710 179.517 0.193 1
1 209 . 8 1 1 A 22 22 GLU CA C 531 59.532 59.135 0.397 1
1 210 . 8 1 1 A 22 22 GLU CB C 531 29.446 29.465 -0.019 1
1 212 . 8 1 1 A 22 22 GLU N N 531 118.589 119.182 -0.593 1
1 213 . 8 1 1 A 23 23 GLN H H 532 8.457 7.921 0.536 1
1 214 . 8 1 1 A 23 23 GLN HA H 532 4.139 4.092 0.047 1
1 216 . 8 1 1 A 23 23 GLN C C 532 178.498 178.540 -0.042 1
1 217 . 8 1 1 A 23 23 GLN CA C 532 58.563 58.539 0.024 1
1 218 . 8 1 1 A 23 23 GLN CB C 532 28.911 28.190 0.721 1
1 219 . 8 1 1 A 23 23 GLN N N 532 118.059 119.977 -1.918 1
1 220 . 8 1 1 A 24 24 THR H H 533 8.325 7.898 0.427 1
1 221 . 8 1 1 A 24 24 THR HA H 533 4.106 4.024 0.082 1
1 226 . 8 1 1 A 24 24 THR C C 533 175.780 176.112 -0.332 1
1 227 . 8 1 1 A 24 24 THR CA C 533 67.023 66.966 0.057 1
1 229 . 8 1 1 A 24 24 THR N N 533 117.397 117.595 -0.198 1
1 230 . 8 1 1 A 25 25 VAL H H 534 7.935 8.309 -0.374 1
1 231 . 8 1 1 A 25 25 VAL HA H 534 3.696 3.727 -0.031 1
1 239 . 8 1 1 A 25 25 VAL C C 534 179.333 177.851 1.482 1
1 240 . 8 1 1 A 25 25 VAL CA C 534 66.691 65.889 0.802 1
1 243 . 8 1 1 A 25 25 VAL N N 534 121.196 117.687 3.509 1
1 244 . 8 1 1 A 26 26 GLU H H 535 7.814 8.297 -0.483 1
1 245 . 8 1 1 A 26 26 GLU HA H 535 4.113 4.030 0.083 1
1 249 . 8 1 1 A 26 26 GLU C C 535 178.221 178.779 -0.558 1
1 250 . 8 1 1 A 26 26 GLU CA C 535 59.597 59.054 0.543 1
1 251 . 8 1 1 A 26 26 GLU CB C 535 29.298 29.043 0.255 1
1 253 . 8 1 1 A 26 26 GLU N N 535 120.430 121.022 -0.592 1
1 254 . 8 1 1 A 27 27 ARG H H 536 8.367 7.710 0.657 1
1 255 . 8 1 1 A 27 27 ARG HA H 536 3.906 4.143 -0.237 1
1 260 . 8 1 1 A 27 27 ARG C C 536 178.119 178.427 -0.308 1
1 261 . 8 1 1 A 27 27 ARG CA C 536 60.845 58.673 2.172 1
1 262 . 8 1 1 A 27 27 ARG CB C 536 27.361 29.964 -2.603 1
1 265 . 8 1 1 A 27 27 ARG N N 536 120.564 120.116 0.448 1
1 266 . 8 1 1 A 28 28 VAL H H 537 8.452 8.322 0.130 1
1 267 . 8 1 1 A 28 28 VAL HA H 537 3.691 3.809 -0.118 1
1 275 . 8 1 1 A 28 28 VAL C C 537 178.392 178.284 0.108 1
1 276 . 8 1 1 A 28 28 VAL CA C 537 66.670 65.491 1.179 1
1 277 . 8 1 1 A 28 28 VAL CB C 537 31.795 31.654 0.141 1
1 280 . 8 1 1 A 28 28 VAL N N 537 120.076 118.764 1.312 1
1 281 . 8 1 1 A 29 29 THR H H 538 8.165 7.999 0.166 1
1 282 . 8 1 1 A 29 29 THR HA H 538 3.985 3.955 0.030 1
1 287 . 8 1 1 A 29 29 THR C C 538 177.201 176.470 0.731 1
1 288 . 8 1 1 A 29 29 THR CA C 538 66.936 66.951 -0.015 1
1 289 . 8 1 1 A 29 29 THR CB C 538 68.772 67.780 0.992 1
1 291 . 8 1 1 A 29 29 THR N N 538 117.307 117.077 0.230 1
1 292 . 8 1 1 A 30 30 LEU H H 539 8.145 8.610 -0.465 1
1 293 . 8 1 1 A 30 30 LEU HA H 539 4.181 3.952 0.229 1
1 303 . 8 1 1 A 30 30 LEU C C 539 178.786 178.708 0.078 1
1 304 . 8 1 1 A 30 30 LEU CA C 539 58.312 58.279 0.033 1
1 305 . 8 1 1 A 30 30 LEU CB C 539 42.965 41.685 1.280 1
1 308 . 8 1 1 A 30 30 LEU N N 539 122.885 121.468 1.417 1
1 309 . 8 1 1 A 31 31 GLN H H 540 8.739 8.327 0.412 1
1 310 . 8 1 1 A 31 31 GLN HA H 540 3.976 4.103 -0.127 1
1 315 . 8 1 1 A 31 31 GLN C C 540 179.052 178.273 0.779 1
1 316 . 8 1 1 A 31 31 GLN CA C 540 59.485 59.160 0.325 1
1 317 . 8 1 1 A 31 31 GLN CB C 540 28.488 28.070 0.418 1
1 319 . 8 1 1 A 31 31 GLN N N 540 119.660 117.904 1.756 1
1 320 . 8 1 1 A 32 32 ASN H H 541 8.467 8.283 0.184 1
1 321 . 8 1 1 A 32 32 ASN HA H 541 4.532 4.430 0.102 1
1 324 . 8 1 1 A 32 32 ASN C C 541 178.095 177.938 0.157 1
1 325 . 8 1 1 A 32 32 ASN CA C 541 56.010 56.474 -0.464 1
1 326 . 8 1 1 A 32 32 ASN CB C 541 37.881 38.975 -1.094 1
1 327 . 8 1 1 A 32 32 ASN N N 541 118.499 117.944 0.555 1
1 328 . 8 1 1 A 33 33 GLN H H 542 8.158 8.052 0.106 1
1 329 . 8 1 1 A 33 33 GLN HA H 542 4.029 4.058 -0.029 1
1 333 . 8 1 1 A 33 33 GLN C C 542 178.763 178.791 -0.028 1
1 334 . 8 1 1 A 33 33 GLN CA C 542 58.964 58.924 0.040 1
1 335 . 8 1 1 A 33 33 GLN CB C 542 28.949 28.210 0.739 1
1 337 . 8 1 1 A 33 33 GLN N N 542 121.150 118.346 2.804 1
1 338 . 8 1 1 A 34 34 LEU H H 543 8.606 8.578 0.028 1
1 339 . 8 1 1 A 34 34 LEU HA H 543 4.140 4.265 -0.125 1
1 349 . 8 1 1 A 34 34 LEU C C 543 178.395 178.454 -0.059 1
1 350 . 8 1 1 A 34 34 LEU CA C 543 58.323 57.742 0.581 1
1 351 . 8 1 1 A 34 34 LEU CB C 543 41.979 41.657 0.322 1
1 355 . 8 1 1 A 34 34 LEU N N 543 120.557 121.059 -0.502 1
1 356 . 8 1 1 A 35 35 GLN H H 544 8.170 8.714 -0.544 1
1 357 . 8 1 1 A 35 35 GLN HA H 544 3.969 3.960 0.009 1
1 361 . 8 1 1 A 35 35 GLN C C 544 178.194 178.583 -0.389 1
1 362 . 8 1 1 A 35 35 GLN CA C 544 59.060 59.500 -0.440 1
1 363 . 8 1 1 A 35 35 GLN CB C 544 28.046 28.204 -0.158 1
1 365 . 8 1 1 A 35 35 GLN N N 544 117.978 118.887 -0.909 1
1 366 . 8 1 1 A 36 36 GLN H H 545 7.786 7.732 0.054 1
1 367 . 8 1 1 A 36 36 GLN HA H 545 4.024 4.124 -0.100 1
1 371 . 8 1 1 A 36 36 GLN C C 545 178.864 178.645 0.219 1
1 372 . 8 1 1 A 36 36 GLN CA C 545 58.857 58.782 0.075 1
1 373 . 8 1 1 A 36 36 GLN CB C 545 28.112 28.232 -0.120 1
1 375 . 8 1 1 A 36 36 GLN N N 545 116.904 118.982 -2.078 1
1 376 . 8 1 1 A 37 37 PHE H H 546 7.734 8.326 -0.592 1
1 377 . 8 1 1 A 37 37 PHE HA H 546 4.233 4.191 0.042 1
1 382 . 8 1 1 A 37 37 PHE C C 546 178.078 177.595 0.483 1
1 383 . 8 1 1 A 37 37 PHE CA C 546 60.681 61.262 -0.581 1
1 384 . 8 1 1 A 37 37 PHE CB C 546 38.124 39.235 -1.111 1
1 385 . 8 1 1 A 37 37 PHE N N 546 119.594 121.144 -1.550 1
1 386 . 8 1 1 A 38 38 LEU H H 547 8.240 8.717 -0.477 1
1 387 . 8 1 1 A 38 38 LEU HA H 547 4.037 3.476 0.561 1
1 394 . 8 1 1 A 38 38 LEU C C 547 180.193 178.720 1.473 1
1 395 . 8 1 1 A 38 38 LEU CA C 547 57.303 58.194 -0.891 1
1 396 . 8 1 1 A 38 38 LEU CB C 547 41.519 41.287 0.232 1
1 398 . 8 1 1 A 38 38 LEU N N 547 119.925 118.992 0.933 1
1 399 . 8 1 1 A 39 39 GLU H H 548 8.273 8.173 0.100 1
1 400 . 8 1 1 A 39 39 GLU HA H 548 4.083 3.966 0.117 1
1 403 . 8 1 1 A 39 39 GLU C C 548 178.417 179.361 -0.944 1
1 404 . 8 1 1 A 39 39 GLU CA C 548 58.494 59.482 -0.988 1
1 405 . 8 1 1 A 39 39 GLU CB C 548 29.238 28.950 0.288 1
1 407 . 8 1 1 A 39 39 GLU N N 548 119.463 119.494 -0.031 1
1 408 . 8 1 1 A 40 40 ALA H H 549 7.714 8.218 -0.504 1
1 409 . 8 1 1 A 40 40 ALA HA H 549 4.244 4.008 0.236 1
1 413 . 8 1 1 A 40 40 ALA C C 549 179.123 179.788 -0.665 1
1 414 . 8 1 1 A 40 40 ALA CA C 549 53.829 54.848 -1.019 1
1 415 . 8 1 1 A 40 40 ALA CB C 549 18.330 18.384 -0.054 1
1 416 . 8 1 1 A 40 40 ALA N N 549 122.046 122.568 -0.522 1
1 417 . 8 1 1 A 41 41 GLN H H 550 7.825 7.791 0.034 1
1 418 . 8 1 1 A 41 41 GLN HA H 550 4.207 3.859 0.348 1
1 423 . 8 1 1 A 41 41 GLN C C 550 177.115 178.830 -1.715 1
1 424 . 8 1 1 A 41 41 GLN CA C 550 56.917 58.758 -1.841 1
1 425 . 8 1 1 A 41 41 GLN CB C 550 28.948 28.274 0.674 1
1 427 . 8 1 1 A 41 41 GLN N N 550 117.391 117.886 -0.495 1
1 428 . 8 1 1 A 42 42 LYS H H 551 7.905 7.870 0.035 1
1 429 . 8 1 1 A 42 42 LYS HA H 551 4.293 4.016 0.277 1
1 435 . 8 1 1 A 42 42 LYS C C 551 177.498 179.493 -1.995 1
1 436 . 8 1 1 A 42 42 LYS CA C 551 57.298 59.198 -1.900 1
1 437 . 8 1 1 A 42 42 LYS CB C 551 32.903 32.068 0.835 1
1 441 . 8 1 1 A 42 42 LYS N N 551 120.398 119.755 0.643 1
1 442 . 8 1 1 A 43 43 SER H H 552 8.144 8.316 -0.172 1
1 443 . 8 1 1 A 43 43 SER HA H 552 4.438 4.088 0.350 1
1 445 . 8 1 1 A 43 43 SER C C 552 174.871 176.489 -1.618 1
1 446 . 8 1 1 A 43 43 SER CA C 552 58.932 61.937 -3.005 1
1 447 . 8 1 1 A 43 43 SER CB C 552 63.785 62.967 0.818 1
1 448 . 8 1 1 A 43 43 SER N N 552 115.839 116.819 -0.980 1
1 449 . 8 1 1 A 44 44 GLU H H 553 8.267 7.873 0.394 1
1 450 . 8 1 1 A 44 44 GLU HA H 553 4.300 4.091 0.209 1
1 454 . 8 1 1 A 44 44 GLU C C 553 177.103 179.913 -2.810 1
1 455 . 8 1 1 A 44 44 GLU CA C 553 56.940 59.259 -2.319 1
1 456 . 8 1 1 A 44 44 GLU CB C 553 29.992 29.131 0.861 1
1 458 . 8 1 1 A 44 44 GLU N N 553 122.271 121.487 0.784 1
1 459 . 8 1 1 A 45 45 GLY H H 554 8.384 8.795 -0.411 1
1 460 . 8 1 1 A 45 45 GLY HA2 H 554 3.963 3.689 0.274 1
1 461 . 8 1 1 A 45 45 GLY HA3 H 554 3.963 3.696 0.267 1
1 462 . 8 1 1 A 45 45 GLY C C 554 174.201 175.900 -1.699 1
1 463 . 8 1 1 A 45 45 GLY CA C 554 45.474 47.079 -1.605 1
1 464 . 8 1 1 A 45 45 GLY N N 554 109.533 109.596 -0.063 1
1 465 . 8 1 1 A 46 46 LYS H H 555 8.064 8.952 -0.888 1
1 466 . 8 1 1 A 46 46 LYS HA H 555 4.417 4.158 0.259 1
1 472 . 8 1 1 A 46 46 LYS C C 555 176.485 176.676 -0.191 1
1 473 . 8 1 1 A 46 46 LYS CA C 555 56.017 58.410 -2.393 1
1 474 . 8 1 1 A 46 46 LYS CB C 555 33.281 31.527 1.754 1
1 477 . 8 1 1 A 46 46 LYS N N 555 120.660 119.782 0.878 1
1 478 . 8 1 1 A 47 47 SER H H 556 8.391 7.595 0.796 1
1 479 . 8 1 1 A 47 47 SER HA H 556 4.562 4.484 0.078 1
1 482 . 8 1 1 A 47 47 SER C C 556 173.556 173.626 -0.070 1
1 483 . 8 1 1 A 47 47 SER CA C 556 58.444 57.498 0.946 1
1 484 . 8 1 1 A 47 47 SER CB C 556 64.149 61.689 2.460 1
1 485 . 8 1 1 A 47 47 SER N N 556 117.900 116.295 1.605 1
1 1 . 9 1 1 A 3 3 VAL H H 512 8.411 8.609 -0.198 1
1 2 . 9 1 1 A 3 3 VAL HA H 512 4.140 3.636 0.504 1
1 7 . 9 1 1 A 3 3 VAL C C 512 176.681 177.403 -0.722 1
1 8 . 9 1 1 A 3 3 VAL CA C 512 63.248 66.166 -2.918 1
1 9 . 9 1 1 A 3 3 VAL CB C 512 32.219 31.517 0.702 1
1 11 . 9 1 1 A 3 3 VAL N N 512 121.730 124.187 -2.457 1
1 12 . 9 1 1 A 4 4 GLU H H 513 8.552 8.295 0.257 1
1 13 . 9 1 1 A 4 4 GLU HA H 513 4.304 3.979 0.325 1
1 16 . 9 1 1 A 4 4 GLU C C 513 177.624 178.543 -0.919 1
1 17 . 9 1 1 A 4 4 GLU CA C 513 57.945 59.719 -1.774 1
1 18 . 9 1 1 A 4 4 GLU CB C 513 29.784 29.274 0.510 1
1 19 . 9 1 1 A 4 4 GLU N N 513 123.626 119.760 3.866 1
1 20 . 9 1 1 A 5 5 THR H H 514 8.341 8.054 0.287 1
1 21 . 9 1 1 A 5 5 THR HA H 514 4.364 4.084 0.280 1
1 26 . 9 1 1 A 5 5 THR C C 514 175.493 176.667 -1.174 1
1 27 . 9 1 1 A 5 5 THR CA C 514 62.824 65.196 -2.372 1
1 28 . 9 1 1 A 5 5 THR CB C 514 70.032 68.266 1.766 1
1 29 . 9 1 1 A 5 5 THR N N 514 114.159 112.109 2.050 1
1 30 . 9 1 1 A 6 6 CYS H H 515 8.739 8.603 0.136 1
1 31 . 9 1 1 A 6 6 CYS HA H 515 4.692 3.906 0.786 1
1 34 . 9 1 1 A 6 6 CYS C C 515 178.959 176.959 2.000 1
1 35 . 9 1 1 A 6 6 CYS CA C 515 57.420 62.619 -5.199 1
1 36 . 9 1 1 A 6 6 CYS CB C 515 42.167 26.513 15.654 1
1 37 . 9 1 1 A 6 6 CYS N N 515 119.497 121.026 -1.529 1
1 38 . 9 1 1 A 7 7 MET H H 516 8.380 8.741 -0.361 1
1 39 . 9 1 1 A 7 7 MET HA H 516 4.250 4.188 0.062 1
1 44 . 9 1 1 A 7 7 MET C C 516 176.520 178.650 -2.130 1
1 45 . 9 1 1 A 7 7 MET CA C 516 58.813 58.743 0.070 1
1 46 . 9 1 1 A 7 7 MET CB C 516 32.214 32.315 -0.101 1
1 47 . 9 1 1 A 7 7 MET N N 516 120.287 120.225 0.062 1
1 48 . 9 1 1 A 8 8 SER H H 517 8.409 7.663 0.746 1
1 49 . 9 1 1 A 8 8 SER HA H 517 4.339 4.140 0.199 1
1 51 . 9 1 1 A 8 8 SER C C 517 177.818 176.640 1.178 1
1 52 . 9 1 1 A 8 8 SER CA C 517 61.119 62.258 -1.139 1
1 53 . 9 1 1 A 8 8 SER CB C 517 62.384 62.998 -0.614 1
1 54 . 9 1 1 A 8 8 SER N N 517 116.219 117.780 -1.561 1
1 55 . 9 1 1 A 9 9 LEU H H 518 8.017 8.236 -0.219 1
1 56 . 9 1 1 A 9 9 LEU HA H 518 4.144 4.021 0.123 1
1 66 . 9 1 1 A 9 9 LEU C C 518 178.577 179.029 -0.452 1
1 67 . 9 1 1 A 9 9 LEU CA C 518 57.927 57.798 0.129 1
1 68 . 9 1 1 A 9 9 LEU CB C 518 42.987 41.309 1.678 1
1 70 . 9 1 1 A 9 9 LEU N N 518 122.883 120.130 2.753 1
1 71 . 9 1 1 A 10 10 ALA H H 519 8.085 8.699 -0.614 1
1 72 . 9 1 1 A 10 10 ALA HA H 519 4.044 4.118 -0.074 1
1 76 . 9 1 1 A 10 10 ALA C C 519 180.731 179.726 1.005 1
1 77 . 9 1 1 A 10 10 ALA CA C 519 55.810 55.281 0.529 1
1 78 . 9 1 1 A 10 10 ALA CB C 519 17.616 17.777 -0.161 1
1 79 . 9 1 1 A 10 10 ALA N N 519 121.112 121.938 -0.826 1
1 80 . 9 1 1 A 11 11 SER H H 520 7.998 8.228 -0.230 1
1 81 . 9 1 1 A 11 11 SER HA H 520 4.283 4.183 0.100 1
1 83 . 9 1 1 A 11 11 SER C C 520 177.283 176.584 0.699 1
1 84 . 9 1 1 A 11 11 SER CA C 520 61.279 61.509 -0.230 1
1 85 . 9 1 1 A 11 11 SER CB C 520 62.764 62.478 0.286 1
1 86 . 9 1 1 A 11 11 SER N N 520 113.163 113.032 0.131 1
1 87 . 9 1 1 A 12 12 GLN H H 521 8.082 7.806 0.276 1
1 88 . 9 1 1 A 12 12 GLN HA H 521 4.163 3.988 0.175 1
1 93 . 9 1 1 A 12 12 GLN C C 521 178.439 178.356 0.083 1
1 94 . 9 1 1 A 12 12 GLN CA C 521 59.321 58.609 0.712 1
1 95 . 9 1 1 A 12 12 GLN CB C 521 28.932 28.656 0.276 1
1 97 . 9 1 1 A 12 12 GLN N N 521 123.452 121.290 2.162 1
1 98 . 9 1 1 A 13 13 VAL H H 522 8.289 8.252 0.037 1
1 99 . 9 1 1 A 13 13 VAL HA H 522 3.489 3.683 -0.194 1
1 107 . 9 1 1 A 13 13 VAL C C 522 179.392 178.296 1.096 1
1 108 . 9 1 1 A 13 13 VAL CA C 522 67.895 66.162 1.733 1
1 109 . 9 1 1 A 13 13 VAL CB C 522 31.597 31.607 -0.010 1
1 112 . 9 1 1 A 13 13 VAL N N 522 119.508 119.873 -0.365 1
1 113 . 9 1 1 A 14 14 VAL H H 523 7.651 8.382 -0.731 1
1 114 . 9 1 1 A 14 14 VAL HA H 523 3.674 3.550 0.124 1
1 122 . 9 1 1 A 14 14 VAL C C 523 178.592 177.832 0.760 1
1 123 . 9 1 1 A 14 14 VAL CA C 523 67.190 66.559 0.631 1
1 124 . 9 1 1 A 14 14 VAL CB C 523 31.892 31.385 0.507 1
1 126 . 9 1 1 A 14 14 VAL N N 523 122.425 120.543 1.882 1
1 127 . 9 1 1 A 15 15 LYS H H 524 7.919 7.756 0.163 1
1 128 . 9 1 1 A 15 15 LYS HA H 524 4.066 3.946 0.120 1
1 134 . 9 1 1 A 15 15 LYS C C 524 179.521 179.642 -0.121 1
1 135 . 9 1 1 A 15 15 LYS CA C 524 60.001 59.895 0.106 1
1 136 . 9 1 1 A 15 15 LYS CB C 524 32.693 32.264 0.429 1
1 139 . 9 1 1 A 15 15 LYS N N 524 120.960 119.026 1.934 1
1 140 . 9 1 1 A 16 16 LEU H H 525 8.939 8.106 0.833 1
1 141 . 9 1 1 A 16 16 LEU HA H 525 4.164 3.998 0.166 1
1 148 . 9 1 1 A 16 16 LEU C C 525 179.118 179.342 -0.224 1
1 149 . 9 1 1 A 16 16 LEU CA C 525 58.071 57.943 0.128 1
1 150 . 9 1 1 A 16 16 LEU CB C 525 43.853 41.976 1.877 1
1 153 . 9 1 1 A 16 16 LEU N N 525 119.646 120.402 -0.756 1
1 154 . 9 1 1 A 17 17 THR H H 526 8.311 8.869 -0.558 1
1 155 . 9 1 1 A 17 17 THR HA H 526 3.822 3.955 -0.133 1
1 160 . 9 1 1 A 17 17 THR C C 526 176.638 176.539 0.099 1
1 161 . 9 1 1 A 17 17 THR CA C 526 67.923 65.174 2.749 1
1 162 . 9 1 1 A 17 17 THR CB C 526 68.655 68.576 0.079 1
1 164 . 9 1 1 A 17 17 THR N N 526 115.841 112.723 3.118 1
1 165 . 9 1 1 A 18 18 LYS H H 527 7.717 8.155 -0.438 1
1 166 . 9 1 1 A 18 18 LYS HA H 527 4.112 3.962 0.150 1
1 173 . 9 1 1 A 18 18 LYS CA C 527 59.922 59.905 0.017 1
1 174 . 9 1 1 A 18 18 LYS CB C 527 32.354 32.657 -0.303 1
1 176 . 9 1 1 A 18 18 LYS N N 527 123.034 120.414 2.620 1
1 177 . 9 1 1 A 19 19 GLN H H 528 8.319 7.613 0.706 1
1 178 . 9 1 1 A 19 19 GLN HA H 528 4.149 4.080 0.069 1
1 181 . 9 1 1 A 19 19 GLN C C 528 179.236 178.881 0.355 1
1 182 . 9 1 1 A 19 19 GLN CA C 528 59.397 58.713 0.684 1
1 183 . 9 1 1 A 19 19 GLN CB C 528 29.175 28.152 1.023 1
1 184 . 9 1 1 A 19 19 GLN N N 528 119.343 118.845 0.498 1
1 185 . 9 1 1 A 20 20 LEU H H 529 8.869 8.525 0.344 1
1 186 . 9 1 1 A 20 20 LEU HA H 529 4.102 3.985 0.117 1
1 192 . 9 1 1 A 20 20 LEU C C 529 179.709 179.468 0.241 1
1 193 . 9 1 1 A 20 20 LEU CA C 529 58.277 57.964 0.313 1
1 194 . 9 1 1 A 20 20 LEU CB C 529 41.808 41.451 0.357 1
1 195 . 9 1 1 A 20 20 LEU N N 529 121.333 119.984 1.349 1
1 196 . 9 1 1 A 21 21 LYS H H 530 8.126 8.559 -0.433 1
1 197 . 9 1 1 A 21 21 LYS HA H 530 4.097 3.877 0.220 1
1 199 . 9 1 1 A 21 21 LYS C C 530 178.925 179.860 -0.935 1
1 200 . 9 1 1 A 21 21 LYS CA C 530 60.168 60.413 -0.245 1
1 201 . 9 1 1 A 21 21 LYS CB C 530 31.957 32.010 -0.053 1
1 202 . 9 1 1 A 21 21 LYS N N 530 122.900 117.844 5.056 1
1 203 . 9 1 1 A 22 22 GLU H H 531 8.138 8.240 -0.102 1
1 204 . 9 1 1 A 22 22 GLU HA H 531 4.064 4.098 -0.034 1
1 208 . 9 1 1 A 22 22 GLU C C 531 179.710 179.642 0.068 1
1 209 . 9 1 1 A 22 22 GLU CA C 531 59.532 59.128 0.404 1
1 210 . 9 1 1 A 22 22 GLU CB C 531 29.446 29.478 -0.032 1
1 212 . 9 1 1 A 22 22 GLU N N 531 118.589 120.051 -1.462 1
1 213 . 9 1 1 A 23 23 GLN H H 532 8.457 8.232 0.225 1
1 214 . 9 1 1 A 23 23 GLN HA H 532 4.139 4.075 0.064 1
1 216 . 9 1 1 A 23 23 GLN C C 532 178.498 178.739 -0.241 1
1 217 . 9 1 1 A 23 23 GLN CA C 532 58.563 58.584 -0.021 1
1 218 . 9 1 1 A 23 23 GLN CB C 532 28.911 28.080 0.831 1
1 219 . 9 1 1 A 23 23 GLN N N 532 118.059 120.043 -1.984 1
1 220 . 9 1 1 A 24 24 THR H H 533 8.325 8.216 0.109 1
1 221 . 9 1 1 A 24 24 THR HA H 533 4.106 4.016 0.090 1
1 226 . 9 1 1 A 24 24 THR C C 533 175.780 176.340 -0.560 1
1 227 . 9 1 1 A 24 24 THR CA C 533 67.023 66.965 0.058 1
1 229 . 9 1 1 A 24 24 THR N N 533 117.397 117.418 -0.021 1
1 230 . 9 1 1 A 25 25 VAL H H 534 7.935 8.163 -0.228 1
1 231 . 9 1 1 A 25 25 VAL HA H 534 3.696 3.725 -0.029 1
1 239 . 9 1 1 A 25 25 VAL C C 534 179.333 177.852 1.481 1
1 240 . 9 1 1 A 25 25 VAL CA C 534 66.691 66.018 0.673 1
1 243 . 9 1 1 A 25 25 VAL N N 534 121.196 117.242 3.954 1
1 244 . 9 1 1 A 26 26 GLU H H 535 7.814 8.485 -0.671 1
1 245 . 9 1 1 A 26 26 GLU HA H 535 4.113 4.020 0.093 1
1 249 . 9 1 1 A 26 26 GLU C C 535 178.221 178.860 -0.639 1
1 250 . 9 1 1 A 26 26 GLU CA C 535 59.597 58.956 0.641 1
1 251 . 9 1 1 A 26 26 GLU CB C 535 29.298 29.011 0.287 1
1 253 . 9 1 1 A 26 26 GLU N N 535 120.430 121.010 -0.580 1
1 254 . 9 1 1 A 27 27 ARG H H 536 8.367 7.694 0.673 1
1 255 . 9 1 1 A 27 27 ARG HA H 536 3.906 4.125 -0.219 1
1 260 . 9 1 1 A 27 27 ARG C C 536 178.119 178.469 -0.350 1
1 261 . 9 1 1 A 27 27 ARG CA C 536 60.845 58.850 1.995 1
1 262 . 9 1 1 A 27 27 ARG CB C 536 27.361 29.770 -2.409 1
1 265 . 9 1 1 A 27 27 ARG N N 536 120.564 120.139 0.425 1
1 266 . 9 1 1 A 28 28 VAL H H 537 8.452 8.188 0.264 1
1 267 . 9 1 1 A 28 28 VAL HA H 537 3.691 3.808 -0.117 1
1 275 . 9 1 1 A 28 28 VAL C C 537 178.392 178.337 0.055 1
1 276 . 9 1 1 A 28 28 VAL CA C 537 66.670 65.489 1.181 1
1 277 . 9 1 1 A 28 28 VAL CB C 537 31.795 31.626 0.169 1
1 280 . 9 1 1 A 28 28 VAL N N 537 120.076 118.856 1.220 1
1 281 . 9 1 1 A 29 29 THR H H 538 8.165 8.006 0.159 1
1 282 . 9 1 1 A 29 29 THR HA H 538 3.985 3.941 0.044 1
1 287 . 9 1 1 A 29 29 THR C C 538 177.201 176.642 0.559 1
1 288 . 9 1 1 A 29 29 THR CA C 538 66.936 66.858 0.078 1
1 289 . 9 1 1 A 29 29 THR CB C 538 68.772 67.848 0.924 1
1 291 . 9 1 1 A 29 29 THR N N 538 117.307 116.958 0.349 1
1 292 . 9 1 1 A 30 30 LEU H H 539 8.145 8.441 -0.296 1
1 293 . 9 1 1 A 30 30 LEU HA H 539 4.181 4.013 0.168 1
1 303 . 9 1 1 A 30 30 LEU C C 539 178.786 178.818 -0.032 1
1 304 . 9 1 1 A 30 30 LEU CA C 539 58.312 58.072 0.240 1
1 305 . 9 1 1 A 30 30 LEU CB C 539 42.965 41.632 1.333 1
1 308 . 9 1 1 A 30 30 LEU N N 539 122.885 121.808 1.077 1
1 309 . 9 1 1 A 31 31 GLN H H 540 8.739 8.633 0.106 1
1 310 . 9 1 1 A 31 31 GLN HA H 540 3.976 4.144 -0.168 1
1 315 . 9 1 1 A 31 31 GLN C C 540 179.052 178.533 0.519 1
1 316 . 9 1 1 A 31 31 GLN CA C 540 59.485 59.351 0.134 1
1 317 . 9 1 1 A 31 31 GLN CB C 540 28.488 27.951 0.537 1
1 319 . 9 1 1 A 31 31 GLN N N 540 119.660 117.887 1.773 1
1 320 . 9 1 1 A 32 32 ASN H H 541 8.467 8.437 0.030 1
1 321 . 9 1 1 A 32 32 ASN HA H 541 4.532 4.441 0.091 1
1 324 . 9 1 1 A 32 32 ASN C C 541 178.095 177.865 0.230 1
1 325 . 9 1 1 A 32 32 ASN CA C 541 56.010 56.417 -0.407 1
1 326 . 9 1 1 A 32 32 ASN CB C 541 37.881 39.106 -1.225 1
1 327 . 9 1 1 A 32 32 ASN N N 541 118.499 117.595 0.904 1
1 328 . 9 1 1 A 33 33 GLN H H 542 8.158 7.945 0.213 1
1 329 . 9 1 1 A 33 33 GLN HA H 542 4.029 4.082 -0.053 1
1 333 . 9 1 1 A 33 33 GLN C C 542 178.763 178.870 -0.107 1
1 334 . 9 1 1 A 33 33 GLN CA C 542 58.964 59.041 -0.077 1
1 335 . 9 1 1 A 33 33 GLN CB C 542 28.949 28.042 0.907 1
1 337 . 9 1 1 A 33 33 GLN N N 542 121.150 118.239 2.911 1
1 338 . 9 1 1 A 34 34 LEU H H 543 8.606 8.477 0.129 1
1 339 . 9 1 1 A 34 34 LEU HA H 543 4.140 4.281 -0.141 1
1 349 . 9 1 1 A 34 34 LEU C C 543 178.395 178.444 -0.049 1
1 350 . 9 1 1 A 34 34 LEU CA C 543 58.323 57.609 0.714 1
1 351 . 9 1 1 A 34 34 LEU CB C 543 41.979 41.840 0.139 1
1 355 . 9 1 1 A 34 34 LEU N N 543 120.557 121.539 -0.982 1
1 356 . 9 1 1 A 35 35 GLN H H 544 8.170 8.933 -0.763 1
1 357 . 9 1 1 A 35 35 GLN HA H 544 3.969 3.930 0.039 1
1 361 . 9 1 1 A 35 35 GLN C C 544 178.194 178.520 -0.326 1
1 362 . 9 1 1 A 35 35 GLN CA C 544 59.060 59.648 -0.588 1
1 363 . 9 1 1 A 35 35 GLN CB C 544 28.046 28.299 -0.253 1
1 365 . 9 1 1 A 35 35 GLN N N 544 117.978 118.881 -0.903 1
1 366 . 9 1 1 A 36 36 GLN H H 545 7.786 8.025 -0.239 1
1 367 . 9 1 1 A 36 36 GLN HA H 545 4.024 4.105 -0.081 1
1 371 . 9 1 1 A 36 36 GLN C C 545 178.864 178.304 0.560 1
1 372 . 9 1 1 A 36 36 GLN CA C 545 58.857 58.827 0.030 1
1 373 . 9 1 1 A 36 36 GLN CB C 545 28.112 28.742 -0.630 1
1 375 . 9 1 1 A 36 36 GLN N N 545 116.904 118.689 -1.785 1
1 376 . 9 1 1 A 37 37 PHE H H 546 7.734 8.275 -0.541 1
1 377 . 9 1 1 A 37 37 PHE HA H 546 4.233 4.225 0.008 1
1 382 . 9 1 1 A 37 37 PHE C C 546 178.078 177.704 0.374 1
1 383 . 9 1 1 A 37 37 PHE CA C 546 60.681 61.093 -0.412 1
1 384 . 9 1 1 A 37 37 PHE CB C 546 38.124 39.311 -1.187 1
1 385 . 9 1 1 A 37 37 PHE N N 546 119.594 122.866 -3.272 1
1 386 . 9 1 1 A 38 38 LEU H H 547 8.240 8.322 -0.082 1
1 387 . 9 1 1 A 38 38 LEU HA H 547 4.037 3.779 0.258 1
1 394 . 9 1 1 A 38 38 LEU C C 547 180.193 178.697 1.496 1
1 395 . 9 1 1 A 38 38 LEU CA C 547 57.303 57.917 -0.614 1
1 396 . 9 1 1 A 38 38 LEU CB C 547 41.519 41.070 0.449 1
1 398 . 9 1 1 A 38 38 LEU N N 547 119.925 118.587 1.338 1
1 399 . 9 1 1 A 39 39 GLU H H 548 8.273 8.113 0.160 1
1 400 . 9 1 1 A 39 39 GLU HA H 548 4.083 4.001 0.082 1
1 403 . 9 1 1 A 39 39 GLU C C 548 178.417 179.288 -0.871 1
1 404 . 9 1 1 A 39 39 GLU CA C 548 58.494 59.535 -1.041 1
1 405 . 9 1 1 A 39 39 GLU CB C 548 29.238 28.961 0.277 1
1 407 . 9 1 1 A 39 39 GLU N N 548 119.463 119.354 0.109 1
1 408 . 9 1 1 A 40 40 ALA H H 549 7.714 8.477 -0.763 1
1 409 . 9 1 1 A 40 40 ALA HA H 549 4.244 3.997 0.247 1
1 413 . 9 1 1 A 40 40 ALA C C 549 179.123 180.036 -0.913 1
1 414 . 9 1 1 A 40 40 ALA CA C 549 53.829 55.045 -1.216 1
1 415 . 9 1 1 A 40 40 ALA CB C 549 18.330 18.116 0.214 1
1 416 . 9 1 1 A 40 40 ALA N N 549 122.046 122.288 -0.242 1
1 417 . 9 1 1 A 41 41 GLN H H 550 7.825 8.002 -0.177 1
1 418 . 9 1 1 A 41 41 GLN HA H 550 4.207 3.980 0.227 1
1 423 . 9 1 1 A 41 41 GLN C C 550 177.115 178.707 -1.592 1
1 424 . 9 1 1 A 41 41 GLN CA C 550 56.917 58.519 -1.602 1
1 425 . 9 1 1 A 41 41 GLN CB C 550 28.948 28.388 0.560 1
1 427 . 9 1 1 A 41 41 GLN N N 550 117.391 117.968 -0.577 1
1 428 . 9 1 1 A 42 42 LYS H H 551 7.905 7.457 0.448 1
1 429 . 9 1 1 A 42 42 LYS HA H 551 4.293 4.023 0.270 1
1 435 . 9 1 1 A 42 42 LYS C C 551 177.498 179.581 -2.083 1
1 436 . 9 1 1 A 42 42 LYS CA C 551 57.298 59.217 -1.919 1
1 437 . 9 1 1 A 42 42 LYS CB C 551 32.903 32.351 0.552 1
1 441 . 9 1 1 A 42 42 LYS N N 551 120.398 119.823 0.575 1
1 442 . 9 1 1 A 43 43 SER H H 552 8.144 7.879 0.265 1
1 443 . 9 1 1 A 43 43 SER HA H 552 4.438 4.167 0.271 1
1 445 . 9 1 1 A 43 43 SER C C 552 174.871 176.721 -1.850 1
1 446 . 9 1 1 A 43 43 SER CA C 552 58.932 61.096 -2.164 1
1 447 . 9 1 1 A 43 43 SER CB C 552 63.785 63.281 0.504 1
1 448 . 9 1 1 A 43 43 SER N N 552 115.839 114.653 1.186 1
1 449 . 9 1 1 A 44 44 GLU H H 553 8.267 7.776 0.491 1
1 450 . 9 1 1 A 44 44 GLU HA H 553 4.300 4.124 0.176 1
1 454 . 9 1 1 A 44 44 GLU C C 553 177.103 179.951 -2.848 1
1 455 . 9 1 1 A 44 44 GLU CA C 553 56.940 59.338 -2.398 1
1 456 . 9 1 1 A 44 44 GLU CB C 553 29.992 29.343 0.649 1
1 458 . 9 1 1 A 44 44 GLU N N 553 122.271 120.462 1.809 1
1 459 . 9 1 1 A 45 45 GLY H H 554 8.384 8.499 -0.115 1
1 460 . 9 1 1 A 45 45 GLY HA2 H 554 3.963 3.600 0.363 1
1 461 . 9 1 1 A 45 45 GLY HA3 H 554 3.963 3.606 0.357 1
1 462 . 9 1 1 A 45 45 GLY C C 554 174.201 175.965 -1.764 1
1 463 . 9 1 1 A 45 45 GLY CA C 554 45.474 47.015 -1.541 1
1 464 . 9 1 1 A 45 45 GLY N N 554 109.533 109.463 0.070 1
1 465 . 9 1 1 A 46 46 LYS H H 555 8.064 9.034 -0.970 1
1 466 . 9 1 1 A 46 46 LYS HA H 555 4.417 4.099 0.318 1
1 472 . 9 1 1 A 46 46 LYS C C 555 176.485 177.152 -0.667 1
1 473 . 9 1 1 A 46 46 LYS CA C 555 56.017 58.595 -2.578 1
1 474 . 9 1 1 A 46 46 LYS CB C 555 33.281 31.814 1.467 1
1 477 . 9 1 1 A 46 46 LYS N N 555 120.660 120.499 0.161 1
1 478 . 9 1 1 A 47 47 SER H H 556 8.391 7.632 0.759 1
1 479 . 9 1 1 A 47 47 SER HA H 556 4.562 4.542 0.020 1
1 482 . 9 1 1 A 47 47 SER C C 556 173.556 174.412 -0.856 1
1 483 . 9 1 1 A 47 47 SER CA C 556 58.444 57.969 0.475 1
1 484 . 9 1 1 A 47 47 SER CB C 556 64.149 63.558 0.591 1
1 485 . 9 1 1 A 47 47 SER N N 556 117.900 114.568 3.332 1
1 1 . 10 1 1 A 3 3 VAL H H 512 8.411 8.290 0.121 1
1 2 . 10 1 1 A 3 3 VAL HA H 512 4.140 3.643 0.497 1
1 7 . 10 1 1 A 3 3 VAL C C 512 176.681 176.631 0.050 1
1 8 . 10 1 1 A 3 3 VAL CA C 512 63.248 65.476 -2.228 1
1 9 . 10 1 1 A 3 3 VAL CB C 512 32.219 29.574 2.645 1
1 11 . 10 1 1 A 3 3 VAL N N 512 121.730 115.218 6.512 1
1 12 . 10 1 1 A 4 4 GLU H H 513 8.552 9.236 -0.684 1
1 13 . 10 1 1 A 4 4 GLU HA H 513 4.304 4.082 0.222 1
1 16 . 10 1 1 A 4 4 GLU C C 513 177.624 177.823 -0.199 1
1 17 . 10 1 1 A 4 4 GLU CA C 513 57.945 58.716 -0.771 1
1 18 . 10 1 1 A 4 4 GLU CB C 513 29.784 29.391 0.393 1
1 19 . 10 1 1 A 4 4 GLU N N 513 123.626 120.518 3.108 1
1 20 . 10 1 1 A 5 5 THR H H 514 8.341 7.754 0.587 1
1 21 . 10 1 1 A 5 5 THR HA H 514 4.364 4.205 0.159 1
1 26 . 10 1 1 A 5 5 THR C C 514 175.493 175.810 -0.317 1
1 27 . 10 1 1 A 5 5 THR CA C 514 62.824 64.810 -1.986 1
1 28 . 10 1 1 A 5 5 THR CB C 514 70.032 68.412 1.620 1
1 29 . 10 1 1 A 5 5 THR N N 514 114.159 115.851 -1.692 1
1 30 . 10 1 1 A 6 6 CYS H H 515 8.739 7.644 1.095 1
1 31 . 10 1 1 A 6 6 CYS HA H 515 4.692 4.418 0.274 1
1 34 . 10 1 1 A 6 6 CYS C C 515 178.959 176.933 2.026 1
1 35 . 10 1 1 A 6 6 CYS CA C 515 57.420 61.424 -4.004 1
1 36 . 10 1 1 A 6 6 CYS CB C 515 42.167 27.857 14.310 1
1 37 . 10 1 1 A 6 6 CYS N N 515 119.497 120.617 -1.120 1
1 38 . 10 1 1 A 7 7 MET H H 516 8.380 8.770 -0.390 1
1 39 . 10 1 1 A 7 7 MET HA H 516 4.250 4.060 0.190 1
1 44 . 10 1 1 A 7 7 MET C C 516 176.520 177.932 -1.412 1
1 45 . 10 1 1 A 7 7 MET CA C 516 58.813 58.079 0.734 1
1 46 . 10 1 1 A 7 7 MET CB C 516 32.214 32.131 0.083 1
1 47 . 10 1 1 A 7 7 MET N N 516 120.287 120.780 -0.493 1
1 48 . 10 1 1 A 8 8 SER H H 517 8.409 8.003 0.406 1
1 49 . 10 1 1 A 8 8 SER HA H 517 4.339 4.221 0.118 1
1 51 . 10 1 1 A 8 8 SER C C 517 177.818 176.372 1.446 1
1 52 . 10 1 1 A 8 8 SER CA C 517 61.119 61.638 -0.519 1
1 53 . 10 1 1 A 8 8 SER CB C 517 62.384 62.584 -0.200 1
1 54 . 10 1 1 A 8 8 SER N N 517 116.219 114.848 1.371 1
1 55 . 10 1 1 A 9 9 LEU H H 518 8.017 7.883 0.134 1
1 56 . 10 1 1 A 9 9 LEU HA H 518 4.144 4.029 0.115 1
1 66 . 10 1 1 A 9 9 LEU C C 518 178.577 179.021 -0.444 1
1 67 . 10 1 1 A 9 9 LEU CA C 518 57.927 57.804 0.123 1
1 68 . 10 1 1 A 9 9 LEU CB C 518 42.987 41.269 1.718 1
1 70 . 10 1 1 A 9 9 LEU N N 518 122.883 119.115 3.768 1
1 71 . 10 1 1 A 10 10 ALA H H 519 8.085 8.863 -0.778 1
1 72 . 10 1 1 A 10 10 ALA HA H 519 4.044 4.157 -0.113 1
1 76 . 10 1 1 A 10 10 ALA C C 519 180.731 179.707 1.024 1
1 77 . 10 1 1 A 10 10 ALA CA C 519 55.810 55.217 0.593 1
1 78 . 10 1 1 A 10 10 ALA CB C 519 17.616 17.775 -0.159 1
1 79 . 10 1 1 A 10 10 ALA N N 519 121.112 121.956 -0.844 1
1 80 . 10 1 1 A 11 11 SER H H 520 7.998 8.138 -0.140 1
1 81 . 10 1 1 A 11 11 SER HA H 520 4.283 4.175 0.108 1
1 83 . 10 1 1 A 11 11 SER C C 520 177.283 177.365 -0.082 1
1 84 . 10 1 1 A 11 11 SER CA C 520 61.279 61.479 -0.200 1
1 85 . 10 1 1 A 11 11 SER CB C 520 62.764 62.439 0.325 1
1 86 . 10 1 1 A 11 11 SER N N 520 113.163 113.074 0.089 1
1 87 . 10 1 1 A 12 12 GLN H H 521 8.082 7.478 0.604 1
1 88 . 10 1 1 A 12 12 GLN HA H 521 4.163 3.992 0.171 1
1 93 . 10 1 1 A 12 12 GLN C C 521 178.439 178.753 -0.314 1
1 94 . 10 1 1 A 12 12 GLN CA C 521 59.321 59.103 0.218 1
1 95 . 10 1 1 A 12 12 GLN CB C 521 28.932 28.221 0.711 1
1 97 . 10 1 1 A 12 12 GLN N N 521 123.452 122.103 1.349 1
1 98 . 10 1 1 A 13 13 VAL H H 522 8.289 8.119 0.170 1
1 99 . 10 1 1 A 13 13 VAL HA H 522 3.489 3.682 -0.193 1
1 107 . 10 1 1 A 13 13 VAL C C 522 179.392 178.291 1.101 1
1 108 . 10 1 1 A 13 13 VAL CA C 522 67.895 66.169 1.726 1
1 109 . 10 1 1 A 13 13 VAL CB C 522 31.597 31.604 -0.007 1
1 112 . 10 1 1 A 13 13 VAL N N 522 119.508 120.063 -0.555 1
1 113 . 10 1 1 A 14 14 VAL H H 523 7.651 8.300 -0.649 1
1 114 . 10 1 1 A 14 14 VAL HA H 523 3.674 3.558 0.116 1
1 122 . 10 1 1 A 14 14 VAL C C 523 178.592 177.954 0.638 1
1 123 . 10 1 1 A 14 14 VAL CA C 523 67.190 66.592 0.598 1
1 124 . 10 1 1 A 14 14 VAL CB C 523 31.892 31.401 0.491 1
1 126 . 10 1 1 A 14 14 VAL N N 523 122.425 120.524 1.901 1
1 127 . 10 1 1 A 15 15 LYS H H 524 7.919 7.671 0.248 1
1 128 . 10 1 1 A 15 15 LYS HA H 524 4.066 3.944 0.122 1
1 134 . 10 1 1 A 15 15 LYS C C 524 179.521 179.682 -0.161 1
1 135 . 10 1 1 A 15 15 LYS CA C 524 60.001 60.064 -0.063 1
1 136 . 10 1 1 A 15 15 LYS CB C 524 32.693 32.173 0.520 1
1 139 . 10 1 1 A 15 15 LYS N N 524 120.960 119.168 1.792 1
1 140 . 10 1 1 A 16 16 LEU H H 525 8.939 8.052 0.887 1
1 141 . 10 1 1 A 16 16 LEU HA H 525 4.164 4.038 0.126 1
1 148 . 10 1 1 A 16 16 LEU C C 525 179.118 179.111 0.007 1
1 149 . 10 1 1 A 16 16 LEU CA C 525 58.071 57.833 0.238 1
1 150 . 10 1 1 A 16 16 LEU CB C 525 43.853 41.967 1.886 1
1 153 . 10 1 1 A 16 16 LEU N N 525 119.646 120.261 -0.615 1
1 154 . 10 1 1 A 17 17 THR H H 526 8.311 8.660 -0.349 1
1 155 . 10 1 1 A 17 17 THR HA H 526 3.822 3.933 -0.111 1
1 160 . 10 1 1 A 17 17 THR C C 526 176.638 176.686 -0.048 1
1 161 . 10 1 1 A 17 17 THR CA C 526 67.923 65.156 2.767 1
1 162 . 10 1 1 A 17 17 THR CB C 526 68.655 68.640 0.015 1
1 164 . 10 1 1 A 17 17 THR N N 526 115.841 112.698 3.143 1
1 165 . 10 1 1 A 18 18 LYS H H 527 7.717 7.893 -0.176 1
1 166 . 10 1 1 A 18 18 LYS HA H 527 4.112 3.954 0.158 1
1 173 . 10 1 1 A 18 18 LYS CA C 527 59.922 59.294 0.628 1
1 174 . 10 1 1 A 18 18 LYS CB C 527 32.354 32.199 0.155 1
1 176 . 10 1 1 A 18 18 LYS N N 527 123.034 120.703 2.331 1
1 177 . 10 1 1 A 19 19 GLN H H 528 8.319 7.662 0.657 1
1 178 . 10 1 1 A 19 19 GLN HA H 528 4.149 4.049 0.100 1
1 181 . 10 1 1 A 19 19 GLN C C 528 179.236 178.872 0.364 1
1 182 . 10 1 1 A 19 19 GLN CA C 528 59.397 58.782 0.615 1
1 183 . 10 1 1 A 19 19 GLN CB C 528 29.175 28.068 1.107 1
1 184 . 10 1 1 A 19 19 GLN N N 528 119.343 118.655 0.688 1
1 185 . 10 1 1 A 20 20 LEU H H 529 8.869 8.666 0.203 1
1 186 . 10 1 1 A 20 20 LEU HA H 529 4.102 3.989 0.113 1
1 192 . 10 1 1 A 20 20 LEU C C 529 179.709 179.041 0.668 1
1 193 . 10 1 1 A 20 20 LEU CA C 529 58.277 57.961 0.316 1
1 194 . 10 1 1 A 20 20 LEU CB C 529 41.808 41.385 0.423 1
1 195 . 10 1 1 A 20 20 LEU N N 529 121.333 120.022 1.311 1
1 196 . 10 1 1 A 21 21 LYS H H 530 8.126 8.272 -0.146 1
1 197 . 10 1 1 A 21 21 LYS HA H 530 4.097 3.934 0.163 1
1 199 . 10 1 1 A 21 21 LYS C C 530 178.925 178.731 0.194 1
1 200 . 10 1 1 A 21 21 LYS CA C 530 60.168 59.954 0.214 1
1 201 . 10 1 1 A 21 21 LYS CB C 530 31.957 32.492 -0.535 1
1 202 . 10 1 1 A 21 21 LYS N N 530 122.900 120.169 2.731 1
1 203 . 10 1 1 A 22 22 GLU H H 531 8.138 8.440 -0.302 1
1 204 . 10 1 1 A 22 22 GLU HA H 531 4.064 4.034 0.030 1
1 208 . 10 1 1 A 22 22 GLU C C 531 179.710 179.446 0.264 1
1 209 . 10 1 1 A 22 22 GLU CA C 531 59.532 59.224 0.308 1
1 210 . 10 1 1 A 22 22 GLU CB C 531 29.446 29.424 0.022 1
1 212 . 10 1 1 A 22 22 GLU N N 531 118.589 118.710 -0.121 1
1 213 . 10 1 1 A 23 23 GLN H H 532 8.457 8.473 -0.016 1
1 214 . 10 1 1 A 23 23 GLN HA H 532 4.139 4.045 0.094 1
1 216 . 10 1 1 A 23 23 GLN C C 532 178.498 178.762 -0.264 1
1 217 . 10 1 1 A 23 23 GLN CA C 532 58.563 58.752 -0.189 1
1 218 . 10 1 1 A 23 23 GLN CB C 532 28.911 28.390 0.521 1
1 219 . 10 1 1 A 23 23 GLN N N 532 118.059 119.382 -1.323 1
1 220 . 10 1 1 A 24 24 THR H H 533 8.325 8.023 0.302 1
1 221 . 10 1 1 A 24 24 THR HA H 533 4.106 4.030 0.076 1
1 226 . 10 1 1 A 24 24 THR C C 533 175.780 176.288 -0.508 1
1 227 . 10 1 1 A 24 24 THR CA C 533 67.023 66.968 0.055 1
1 229 . 10 1 1 A 24 24 THR N N 533 117.397 118.626 -1.229 1
1 230 . 10 1 1 A 25 25 VAL H H 534 7.935 8.174 -0.239 1
1 231 . 10 1 1 A 25 25 VAL HA H 534 3.696 3.727 -0.031 1
1 239 . 10 1 1 A 25 25 VAL C C 534 179.333 177.854 1.479 1
1 240 . 10 1 1 A 25 25 VAL CA C 534 66.691 65.983 0.708 1
1 243 . 10 1 1 A 25 25 VAL N N 534 121.196 117.271 3.925 1
1 244 . 10 1 1 A 26 26 GLU H H 535 7.814 8.367 -0.553 1
1 245 . 10 1 1 A 26 26 GLU HA H 535 4.113 4.033 0.080 1
1 249 . 10 1 1 A 26 26 GLU C C 535 178.221 178.824 -0.603 1
1 250 . 10 1 1 A 26 26 GLU CA C 535 59.597 58.984 0.613 1
1 251 . 10 1 1 A 26 26 GLU CB C 535 29.298 29.000 0.298 1
1 253 . 10 1 1 A 26 26 GLU N N 535 120.430 121.041 -0.611 1
1 254 . 10 1 1 A 27 27 ARG H H 536 8.367 7.731 0.636 1
1 255 . 10 1 1 A 27 27 ARG HA H 536 3.906 4.144 -0.238 1
1 260 . 10 1 1 A 27 27 ARG C C 536 178.119 178.339 -0.220 1
1 261 . 10 1 1 A 27 27 ARG CA C 536 60.845 58.697 2.148 1
1 262 . 10 1 1 A 27 27 ARG CB C 536 27.361 29.942 -2.581 1
1 265 . 10 1 1 A 27 27 ARG N N 536 120.564 120.265 0.299 1
1 266 . 10 1 1 A 28 28 VAL H H 537 8.452 8.279 0.173 1
1 267 . 10 1 1 A 28 28 VAL HA H 537 3.691 3.799 -0.108 1
1 275 . 10 1 1 A 28 28 VAL C C 537 178.392 178.233 0.159 1
1 276 . 10 1 1 A 28 28 VAL CA C 537 66.670 65.478 1.192 1
1 277 . 10 1 1 A 28 28 VAL CB C 537 31.795 31.614 0.181 1
1 280 . 10 1 1 A 28 28 VAL N N 537 120.076 118.816 1.260 1
1 281 . 10 1 1 A 29 29 THR H H 538 8.165 7.979 0.186 1
1 282 . 10 1 1 A 29 29 THR HA H 538 3.985 3.972 0.013 1
1 287 . 10 1 1 A 29 29 THR C C 538 177.201 176.531 0.670 1
1 288 . 10 1 1 A 29 29 THR CA C 538 66.936 66.823 0.113 1
1 289 . 10 1 1 A 29 29 THR CB C 538 68.772 67.819 0.953 1
1 291 . 10 1 1 A 29 29 THR N N 538 117.307 116.883 0.424 1
1 292 . 10 1 1 A 30 30 LEU H H 539 8.145 8.446 -0.301 1
1 293 . 10 1 1 A 30 30 LEU HA H 539 4.181 3.993 0.188 1
1 303 . 10 1 1 A 30 30 LEU C C 539 178.786 178.809 -0.023 1
1 304 . 10 1 1 A 30 30 LEU CA C 539 58.312 58.173 0.139 1
1 305 . 10 1 1 A 30 30 LEU CB C 539 42.965 41.724 1.241 1
1 308 . 10 1 1 A 30 30 LEU N N 539 122.885 121.769 1.116 1
1 309 . 10 1 1 A 31 31 GLN H H 540 8.739 8.499 0.240 1
1 310 . 10 1 1 A 31 31 GLN HA H 540 3.976 4.207 -0.231 1
1 315 . 10 1 1 A 31 31 GLN C C 540 179.052 178.497 0.555 1
1 316 . 10 1 1 A 31 31 GLN CA C 540 59.485 59.331 0.154 1
1 317 . 10 1 1 A 31 31 GLN CB C 540 28.488 27.929 0.559 1
1 319 . 10 1 1 A 31 31 GLN N N 540 119.660 117.892 1.768 1
1 320 . 10 1 1 A 32 32 ASN H H 541 8.467 8.508 -0.041 1
1 321 . 10 1 1 A 32 32 ASN HA H 541 4.532 4.445 0.087 1
1 324 . 10 1 1 A 32 32 ASN C C 541 178.095 177.754 0.341 1
1 325 . 10 1 1 A 32 32 ASN CA C 541 56.010 56.512 -0.502 1
1 326 . 10 1 1 A 32 32 ASN CB C 541 37.881 39.044 -1.163 1
1 327 . 10 1 1 A 32 32 ASN N N 541 118.499 117.619 0.880 1
1 328 . 10 1 1 A 33 33 GLN H H 542 8.158 8.128 0.030 1
1 329 . 10 1 1 A 33 33 GLN HA H 542 4.029 4.067 -0.038 1
1 333 . 10 1 1 A 33 33 GLN C C 542 178.763 178.987 -0.224 1
1 334 . 10 1 1 A 33 33 GLN CA C 542 58.964 58.755 0.209 1
1 335 . 10 1 1 A 33 33 GLN CB C 542 28.949 28.338 0.611 1
1 337 . 10 1 1 A 33 33 GLN N N 542 121.150 118.052 3.098 1
1 338 . 10 1 1 A 34 34 LEU H H 543 8.606 8.668 -0.062 1
1 339 . 10 1 1 A 34 34 LEU HA H 543 4.140 4.298 -0.158 1
1 349 . 10 1 1 A 34 34 LEU C C 543 178.395 178.409 -0.014 1
1 350 . 10 1 1 A 34 34 LEU CA C 543 58.323 57.690 0.633 1
1 351 . 10 1 1 A 34 34 LEU CB C 543 41.979 41.636 0.343 1
1 355 . 10 1 1 A 34 34 LEU N N 543 120.557 121.614 -1.057 1
1 356 . 10 1 1 A 35 35 GLN H H 544 8.170 8.822 -0.652 1
1 357 . 10 1 1 A 35 35 GLN HA H 544 3.969 3.948 0.021 1
1 361 . 10 1 1 A 35 35 GLN C C 544 178.194 178.477 -0.283 1
1 362 . 10 1 1 A 35 35 GLN CA C 544 59.060 59.525 -0.465 1
1 363 . 10 1 1 A 35 35 GLN CB C 544 28.046 28.221 -0.175 1
1 365 . 10 1 1 A 35 35 GLN N N 544 117.978 118.926 -0.948 1
1 366 . 10 1 1 A 36 36 GLN H H 545 7.786 7.994 -0.208 1
1 367 . 10 1 1 A 36 36 GLN HA H 545 4.024 4.072 -0.048 1
1 371 . 10 1 1 A 36 36 GLN C C 545 178.864 178.295 0.569 1
1 372 . 10 1 1 A 36 36 GLN CA C 545 58.857 58.998 -0.141 1
1 373 . 10 1 1 A 36 36 GLN CB C 545 28.112 28.251 -0.139 1
1 375 . 10 1 1 A 36 36 GLN N N 545 116.904 118.456 -1.552 1
1 376 . 10 1 1 A 37 37 PHE H H 546 7.734 8.366 -0.632 1
1 377 . 10 1 1 A 37 37 PHE HA H 546 4.233 4.245 -0.012 1
1 382 . 10 1 1 A 37 37 PHE C C 546 178.078 177.458 0.620 1
1 383 . 10 1 1 A 37 37 PHE CA C 546 60.681 61.245 -0.564 1
1 384 . 10 1 1 A 37 37 PHE CB C 546 38.124 39.072 -0.948 1
1 385 . 10 1 1 A 37 37 PHE N N 546 119.594 121.764 -2.170 1
1 386 . 10 1 1 A 38 38 LEU H H 547 8.240 8.648 -0.408 1
1 387 . 10 1 1 A 38 38 LEU HA H 547 4.037 3.355 0.682 1
1 394 . 10 1 1 A 38 38 LEU C C 547 180.193 178.560 1.633 1
1 395 . 10 1 1 A 38 38 LEU CA C 547 57.303 58.142 -0.839 1
1 396 . 10 1 1 A 38 38 LEU CB C 547 41.519 41.414 0.105 1
1 398 . 10 1 1 A 38 38 LEU N N 547 119.925 118.453 1.472 1
1 399 . 10 1 1 A 39 39 GLU H H 548 8.273 8.441 -0.168 1
1 400 . 10 1 1 A 39 39 GLU HA H 548 4.083 3.959 0.124 1
1 403 . 10 1 1 A 39 39 GLU C C 548 178.417 179.216 -0.799 1
1 404 . 10 1 1 A 39 39 GLU CA C 548 58.494 59.538 -1.044 1
1 405 . 10 1 1 A 39 39 GLU CB C 548 29.238 29.256 -0.018 1
1 407 . 10 1 1 A 39 39 GLU N N 548 119.463 119.470 -0.007 1
1 408 . 10 1 1 A 40 40 ALA H H 549 7.714 8.297 -0.583 1
1 409 . 10 1 1 A 40 40 ALA HA H 549 4.244 3.961 0.283 1
1 413 . 10 1 1 A 40 40 ALA C C 549 179.123 179.977 -0.854 1
1 414 . 10 1 1 A 40 40 ALA CA C 549 53.829 55.887 -2.058 1
1 415 . 10 1 1 A 40 40 ALA CB C 549 18.330 17.886 0.444 1
1 416 . 10 1 1 A 40 40 ALA N N 549 122.046 122.714 -0.668 1
1 417 . 10 1 1 A 41 41 GLN H H 550 7.825 7.956 -0.131 1
1 418 . 10 1 1 A 41 41 GLN HA H 550 4.207 3.911 0.296 1
1 423 . 10 1 1 A 41 41 GLN C C 550 177.115 178.338 -1.223 1
1 424 . 10 1 1 A 41 41 GLN CA C 550 56.917 58.683 -1.766 1
1 425 . 10 1 1 A 41 41 GLN CB C 550 28.948 28.194 0.754 1
1 427 . 10 1 1 A 41 41 GLN N N 550 117.391 117.305 0.086 1
1 428 . 10 1 1 A 42 42 LYS H H 551 7.905 7.985 -0.080 1
1 429 . 10 1 1 A 42 42 LYS HA H 551 4.293 3.996 0.297 1
1 435 . 10 1 1 A 42 42 LYS C C 551 177.498 179.411 -1.913 1
1 436 . 10 1 1 A 42 42 LYS CA C 551 57.298 59.204 -1.906 1
1 437 . 10 1 1 A 42 42 LYS CB C 551 32.903 32.378 0.525 1
1 441 . 10 1 1 A 42 42 LYS N N 551 120.398 120.319 0.079 1
1 442 . 10 1 1 A 43 43 SER H H 552 8.144 8.437 -0.293 1
1 443 . 10 1 1 A 43 43 SER HA H 552 4.438 4.054 0.384 1
1 445 . 10 1 1 A 43 43 SER C C 552 174.871 177.073 -2.202 1
1 446 . 10 1 1 A 43 43 SER CA C 552 58.932 61.939 -3.007 1
1 447 . 10 1 1 A 43 43 SER CB C 552 63.785 62.800 0.985 1
1 448 . 10 1 1 A 43 43 SER N N 552 115.839 117.047 -1.208 1
1 449 . 10 1 1 A 44 44 GLU H H 553 8.267 8.364 -0.097 1
1 450 . 10 1 1 A 44 44 GLU HA H 553 4.300 4.069 0.231 1
1 454 . 10 1 1 A 44 44 GLU C C 553 177.103 179.901 -2.798 1
1 455 . 10 1 1 A 44 44 GLU CA C 553 56.940 59.287 -2.347 1
1 456 . 10 1 1 A 44 44 GLU CB C 553 29.992 29.159 0.833 1
1 458 . 10 1 1 A 44 44 GLU N N 553 122.271 120.969 1.302 1
1 459 . 10 1 1 A 45 45 GLY H H 554 8.384 8.277 0.107 1
1 460 . 10 1 1 A 45 45 GLY HA2 H 554 3.963 3.615 0.348 1
1 461 . 10 1 1 A 45 45 GLY HA3 H 554 3.963 3.624 0.339 1
1 462 . 10 1 1 A 45 45 GLY C C 554 174.201 175.630 -1.429 1
1 463 . 10 1 1 A 45 45 GLY CA C 554 45.474 46.879 -1.405 1
1 464 . 10 1 1 A 45 45 GLY N N 554 109.533 109.613 -0.080 1
1 465 . 10 1 1 A 46 46 LYS H H 555 8.064 8.724 -0.660 1
1 466 . 10 1 1 A 46 46 LYS HA H 555 4.417 4.202 0.215 1
1 472 . 10 1 1 A 46 46 LYS C C 555 176.485 176.358 0.127 1
1 473 . 10 1 1 A 46 46 LYS CA C 555 56.017 58.167 -2.150 1
1 474 . 10 1 1 A 46 46 LYS CB C 555 33.281 31.848 1.433 1
1 477 . 10 1 1 A 46 46 LYS N N 555 120.660 118.664 1.996 1
1 478 . 10 1 1 A 47 47 SER H H 556 8.391 7.545 0.846 1
1 479 . 10 1 1 A 47 47 SER HA H 556 4.562 4.467 0.095 1
1 482 . 10 1 1 A 47 47 SER C C 556 173.556 173.501 0.055 1
1 483 . 10 1 1 A 47 47 SER CA C 556 58.444 57.611 0.833 1
1 484 . 10 1 1 A 47 47 SER CB C 556 64.149 62.119 2.030 1
1 485 . 10 1 1 A 47 47 SER N N 556 117.900 116.563 1.337 1
1 1 . 11 1 1 A 3 3 VAL H H 512 8.411 7.994 0.417 1
1 2 . 11 1 1 A 3 3 VAL HA H 512 4.140 3.530 0.610 1
1 7 . 11 1 1 A 3 3 VAL C C 512 176.681 178.086 -1.405 1
1 8 . 11 1 1 A 3 3 VAL CA C 512 63.248 66.869 -3.621 1
1 9 . 11 1 1 A 3 3 VAL CB C 512 32.219 31.338 0.881 1
1 11 . 11 1 1 A 3 3 VAL N N 512 121.730 121.270 0.460 1
1 12 . 11 1 1 A 4 4 GLU H H 513 8.552 8.713 -0.161 1
1 13 . 11 1 1 A 4 4 GLU HA H 513 4.304 4.154 0.150 1
1 16 . 11 1 1 A 4 4 GLU C C 513 177.624 176.135 1.489 1
1 17 . 11 1 1 A 4 4 GLU CA C 513 57.945 58.604 -0.659 1
1 18 . 11 1 1 A 4 4 GLU CB C 513 29.784 29.105 0.679 1
1 19 . 11 1 1 A 4 4 GLU N N 513 123.626 118.917 4.709 1
1 20 . 11 1 1 A 5 5 THR H H 514 8.341 7.676 0.665 1
1 21 . 11 1 1 A 5 5 THR HA H 514 4.364 4.729 -0.365 1
1 26 . 11 1 1 A 5 5 THR C C 514 175.493 173.970 1.523 1
1 27 . 11 1 1 A 5 5 THR CA C 514 62.824 60.001 2.823 1
1 28 . 11 1 1 A 5 5 THR CB C 514 70.032 71.349 -1.317 1
1 29 . 11 1 1 A 5 5 THR N N 514 114.159 109.954 4.205 1
1 30 . 11 1 1 A 6 6 CYS H H 515 8.739 8.632 0.107 1
1 31 . 11 1 1 A 6 6 CYS HA H 515 4.692 4.062 0.630 1
1 34 . 11 1 1 A 6 6 CYS C C 515 178.959 175.114 3.845 1
1 35 . 11 1 1 A 6 6 CYS CA C 515 57.420 61.914 -4.494 1
1 36 . 11 1 1 A 6 6 CYS CB C 515 42.167 25.212 16.955 1
1 37 . 11 1 1 A 6 6 CYS N N 515 119.497 118.330 1.167 1
1 38 . 11 1 1 A 7 7 MET H H 516 8.380 8.659 -0.279 1
1 39 . 11 1 1 A 7 7 MET HA H 516 4.250 4.138 0.112 1
1 44 . 11 1 1 A 7 7 MET C C 516 176.520 178.168 -1.648 1
1 45 . 11 1 1 A 7 7 MET CA C 516 58.813 58.094 0.719 1
1 46 . 11 1 1 A 7 7 MET CB C 516 32.214 31.744 0.470 1
1 47 . 11 1 1 A 7 7 MET N N 516 120.287 122.000 -1.713 1
1 48 . 11 1 1 A 8 8 SER H H 517 8.409 8.125 0.284 1
1 49 . 11 1 1 A 8 8 SER HA H 517 4.339 4.258 0.081 1
1 51 . 11 1 1 A 8 8 SER C C 517 177.818 176.678 1.140 1
1 52 . 11 1 1 A 8 8 SER CA C 517 61.119 61.164 -0.045 1
1 53 . 11 1 1 A 8 8 SER CB C 517 62.384 62.966 -0.582 1
1 54 . 11 1 1 A 8 8 SER N N 517 116.219 114.337 1.882 1
1 55 . 11 1 1 A 9 9 LEU H H 518 8.017 7.934 0.083 1
1 56 . 11 1 1 A 9 9 LEU HA H 518 4.144 4.056 0.088 1
1 66 . 11 1 1 A 9 9 LEU C C 518 178.577 179.130 -0.553 1
1 67 . 11 1 1 A 9 9 LEU CA C 518 57.927 57.943 -0.016 1
1 68 . 11 1 1 A 9 9 LEU CB C 518 42.987 41.404 1.583 1
1 70 . 11 1 1 A 9 9 LEU N N 518 122.883 119.893 2.990 1
1 71 . 11 1 1 A 10 10 ALA H H 519 8.085 8.700 -0.615 1
1 72 . 11 1 1 A 10 10 ALA HA H 519 4.044 4.096 -0.052 1
1 76 . 11 1 1 A 10 10 ALA C C 519 180.731 179.855 0.876 1
1 77 . 11 1 1 A 10 10 ALA CA C 519 55.810 55.256 0.554 1
1 78 . 11 1 1 A 10 10 ALA CB C 519 17.616 18.029 -0.413 1
1 79 . 11 1 1 A 10 10 ALA N N 519 121.112 122.136 -1.024 1
1 80 . 11 1 1 A 11 11 SER H H 520 7.998 8.175 -0.177 1
1 81 . 11 1 1 A 11 11 SER HA H 520 4.283 4.109 0.174 1
1 83 . 11 1 1 A 11 11 SER C C 520 177.283 177.307 -0.024 1
1 84 . 11 1 1 A 11 11 SER CA C 520 61.279 61.140 0.139 1
1 85 . 11 1 1 A 11 11 SER CB C 520 62.764 63.064 -0.300 1
1 86 . 11 1 1 A 11 11 SER N N 520 113.163 113.411 -0.248 1
1 87 . 11 1 1 A 12 12 GLN H H 521 8.082 7.556 0.526 1
1 88 . 11 1 1 A 12 12 GLN HA H 521 4.163 3.994 0.169 1
1 93 . 11 1 1 A 12 12 GLN C C 521 178.439 178.533 -0.094 1
1 94 . 11 1 1 A 12 12 GLN CA C 521 59.321 59.111 0.210 1
1 95 . 11 1 1 A 12 12 GLN CB C 521 28.932 28.174 0.758 1
1 97 . 11 1 1 A 12 12 GLN N N 521 123.452 121.726 1.726 1
1 98 . 11 1 1 A 13 13 VAL H H 522 8.289 7.784 0.505 1
1 99 . 11 1 1 A 13 13 VAL HA H 522 3.489 3.604 -0.115 1
1 107 . 11 1 1 A 13 13 VAL C C 522 179.392 178.405 0.987 1
1 108 . 11 1 1 A 13 13 VAL CA C 522 67.895 66.348 1.547 1
1 109 . 11 1 1 A 13 13 VAL CB C 522 31.597 31.457 0.140 1
1 112 . 11 1 1 A 13 13 VAL N N 522 119.508 119.907 -0.399 1
1 113 . 11 1 1 A 14 14 VAL H H 523 7.651 8.484 -0.833 1
1 114 . 11 1 1 A 14 14 VAL HA H 523 3.674 3.560 0.114 1
1 122 . 11 1 1 A 14 14 VAL C C 523 178.592 177.805 0.787 1
1 123 . 11 1 1 A 14 14 VAL CA C 523 67.190 66.586 0.604 1
1 124 . 11 1 1 A 14 14 VAL CB C 523 31.892 31.354 0.538 1
1 126 . 11 1 1 A 14 14 VAL N N 523 122.425 120.551 1.874 1
1 127 . 11 1 1 A 15 15 LYS H H 524 7.919 8.169 -0.250 1
1 128 . 11 1 1 A 15 15 LYS HA H 524 4.066 3.938 0.128 1
1 134 . 11 1 1 A 15 15 LYS C C 524 179.521 179.628 -0.107 1
1 135 . 11 1 1 A 15 15 LYS CA C 524 60.001 59.786 0.215 1
1 136 . 11 1 1 A 15 15 LYS CB C 524 32.693 32.271 0.422 1
1 139 . 11 1 1 A 15 15 LYS N N 524 120.960 119.245 1.715 1
1 140 . 11 1 1 A 16 16 LEU H H 525 8.939 7.986 0.953 1
1 141 . 11 1 1 A 16 16 LEU HA H 525 4.164 4.015 0.149 1
1 148 . 11 1 1 A 16 16 LEU C C 525 179.118 179.376 -0.258 1
1 149 . 11 1 1 A 16 16 LEU CA C 525 58.071 57.977 0.094 1
1 150 . 11 1 1 A 16 16 LEU CB C 525 43.853 41.955 1.898 1
1 153 . 11 1 1 A 16 16 LEU N N 525 119.646 120.405 -0.759 1
1 154 . 11 1 1 A 17 17 THR H H 526 8.311 8.547 -0.236 1
1 155 . 11 1 1 A 17 17 THR HA H 526 3.822 3.958 -0.136 1
1 160 . 11 1 1 A 17 17 THR C C 526 176.638 176.540 0.098 1
1 161 . 11 1 1 A 17 17 THR CA C 526 67.923 65.171 2.752 1
1 162 . 11 1 1 A 17 17 THR CB C 526 68.655 68.694 -0.039 1
1 164 . 11 1 1 A 17 17 THR N N 526 115.841 112.995 2.846 1
1 165 . 11 1 1 A 18 18 LYS H H 527 7.717 8.354 -0.637 1
1 166 . 11 1 1 A 18 18 LYS HA H 527 4.112 3.969 0.143 1
1 173 . 11 1 1 A 18 18 LYS CA C 527 59.922 59.562 0.360 1
1 174 . 11 1 1 A 18 18 LYS CB C 527 32.354 32.448 -0.094 1
1 176 . 11 1 1 A 18 18 LYS N N 527 123.034 120.511 2.523 1
1 177 . 11 1 1 A 19 19 GLN H H 528 8.319 7.874 0.445 1
1 178 . 11 1 1 A 19 19 GLN HA H 528 4.149 4.011 0.138 1
1 181 . 11 1 1 A 19 19 GLN C C 528 179.236 178.884 0.352 1
1 182 . 11 1 1 A 19 19 GLN CA C 528 59.397 58.836 0.561 1
1 183 . 11 1 1 A 19 19 GLN CB C 528 29.175 28.100 1.075 1
1 184 . 11 1 1 A 19 19 GLN N N 528 119.343 118.528 0.815 1
1 185 . 11 1 1 A 20 20 LEU H H 529 8.869 8.184 0.685 1
1 186 . 11 1 1 A 20 20 LEU HA H 529 4.102 4.026 0.076 1
1 192 . 11 1 1 A 20 20 LEU C C 529 179.709 179.187 0.522 1
1 193 . 11 1 1 A 20 20 LEU CA C 529 58.277 57.912 0.365 1
1 194 . 11 1 1 A 20 20 LEU CB C 529 41.808 41.163 0.645 1
1 195 . 11 1 1 A 20 20 LEU N N 529 121.333 119.960 1.373 1
1 196 . 11 1 1 A 21 21 LYS H H 530 8.126 8.924 -0.798 1
1 197 . 11 1 1 A 21 21 LYS HA H 530 4.097 3.768 0.329 1
1 199 . 11 1 1 A 21 21 LYS C C 530 178.925 179.595 -0.670 1
1 200 . 11 1 1 A 21 21 LYS CA C 530 60.168 60.420 -0.252 1
1 201 . 11 1 1 A 21 21 LYS CB C 530 31.957 32.141 -0.184 1
1 202 . 11 1 1 A 21 21 LYS N N 530 122.900 117.375 5.525 1
1 203 . 11 1 1 A 22 22 GLU H H 531 8.138 8.583 -0.445 1
1 204 . 11 1 1 A 22 22 GLU HA H 531 4.064 4.093 -0.029 1
1 208 . 11 1 1 A 22 22 GLU C C 531 179.710 180.099 -0.389 1
1 209 . 11 1 1 A 22 22 GLU CA C 531 59.532 59.080 0.452 1
1 210 . 11 1 1 A 22 22 GLU CB C 531 29.446 29.350 0.096 1
1 212 . 11 1 1 A 22 22 GLU N N 531 118.589 118.929 -0.340 1
1 213 . 11 1 1 A 23 23 GLN H H 532 8.457 7.838 0.619 1
1 214 . 11 1 1 A 23 23 GLN HA H 532 4.139 4.125 0.014 1
1 216 . 11 1 1 A 23 23 GLN C C 532 178.498 178.886 -0.388 1
1 217 . 11 1 1 A 23 23 GLN CA C 532 58.563 58.684 -0.121 1
1 218 . 11 1 1 A 23 23 GLN CB C 532 28.911 28.253 0.658 1
1 219 . 11 1 1 A 23 23 GLN N N 532 118.059 119.994 -1.935 1
1 220 . 11 1 1 A 24 24 THR H H 533 8.325 8.105 0.220 1
1 221 . 11 1 1 A 24 24 THR HA H 533 4.106 4.017 0.089 1
1 226 . 11 1 1 A 24 24 THR C C 533 175.780 176.126 -0.346 1
1 227 . 11 1 1 A 24 24 THR CA C 533 67.023 66.975 0.048 1
1 229 . 11 1 1 A 24 24 THR N N 533 117.397 117.143 0.254 1
1 230 . 11 1 1 A 25 25 VAL H H 534 7.935 8.233 -0.298 1
1 231 . 11 1 1 A 25 25 VAL HA H 534 3.696 3.726 -0.030 1
1 239 . 11 1 1 A 25 25 VAL C C 534 179.333 177.852 1.481 1
1 240 . 11 1 1 A 25 25 VAL CA C 534 66.691 65.922 0.769 1
1 243 . 11 1 1 A 25 25 VAL N N 534 121.196 117.914 3.282 1
1 244 . 11 1 1 A 26 26 GLU H H 535 7.814 8.371 -0.557 1
1 245 . 11 1 1 A 26 26 GLU HA H 535 4.113 4.030 0.083 1
1 249 . 11 1 1 A 26 26 GLU C C 535 178.221 178.833 -0.612 1
1 250 . 11 1 1 A 26 26 GLU CA C 535 59.597 59.115 0.482 1
1 251 . 11 1 1 A 26 26 GLU CB C 535 29.298 29.012 0.286 1
1 253 . 11 1 1 A 26 26 GLU N N 535 120.430 120.985 -0.555 1
1 254 . 11 1 1 A 27 27 ARG H H 536 8.367 7.756 0.611 1
1 255 . 11 1 1 A 27 27 ARG HA H 536 3.906 4.145 -0.239 1
1 260 . 11 1 1 A 27 27 ARG C C 536 178.119 178.439 -0.320 1
1 261 . 11 1 1 A 27 27 ARG CA C 536 60.845 58.672 2.173 1
1 262 . 11 1 1 A 27 27 ARG CB C 536 27.361 29.975 -2.614 1
1 265 . 11 1 1 A 27 27 ARG N N 536 120.564 120.081 0.483 1
1 266 . 11 1 1 A 28 28 VAL H H 537 8.452 8.315 0.137 1
1 267 . 11 1 1 A 28 28 VAL HA H 537 3.691 3.808 -0.117 1
1 275 . 11 1 1 A 28 28 VAL C C 537 178.392 178.257 0.135 1
1 276 . 11 1 1 A 28 28 VAL CA C 537 66.670 65.497 1.173 1
1 277 . 11 1 1 A 28 28 VAL CB C 537 31.795 31.645 0.150 1
1 280 . 11 1 1 A 28 28 VAL N N 537 120.076 118.765 1.311 1
1 281 . 11 1 1 A 29 29 THR H H 538 8.165 8.005 0.160 1
1 282 . 11 1 1 A 29 29 THR HA H 538 3.985 3.942 0.043 1
1 287 . 11 1 1 A 29 29 THR C C 538 177.201 176.483 0.718 1
1 288 . 11 1 1 A 29 29 THR CA C 538 66.936 66.911 0.025 1
1 289 . 11 1 1 A 29 29 THR CB C 538 68.772 67.804 0.968 1
1 291 . 11 1 1 A 29 29 THR N N 538 117.307 116.955 0.352 1
1 292 . 11 1 1 A 30 30 LEU H H 539 8.145 8.589 -0.444 1
1 293 . 11 1 1 A 30 30 LEU HA H 539 4.181 3.963 0.218 1
1 303 . 11 1 1 A 30 30 LEU C C 539 178.786 178.758 0.028 1
1 304 . 11 1 1 A 30 30 LEU CA C 539 58.312 58.265 0.047 1
1 305 . 11 1 1 A 30 30 LEU CB C 539 42.965 41.664 1.301 1
1 308 . 11 1 1 A 30 30 LEU N N 539 122.885 121.659 1.226 1
1 309 . 11 1 1 A 31 31 GLN H H 540 8.739 8.164 0.575 1
1 310 . 11 1 1 A 31 31 GLN HA H 540 3.976 4.153 -0.177 1
1 315 . 11 1 1 A 31 31 GLN C C 540 179.052 178.612 0.440 1
1 316 . 11 1 1 A 31 31 GLN CA C 540 59.485 59.300 0.185 1
1 317 . 11 1 1 A 31 31 GLN CB C 540 28.488 27.985 0.503 1
1 319 . 11 1 1 A 31 31 GLN N N 540 119.660 117.925 1.735 1
1 320 . 11 1 1 A 32 32 ASN H H 541 8.467 8.534 -0.067 1
1 321 . 11 1 1 A 32 32 ASN HA H 541 4.532 4.445 0.087 1
1 324 . 11 1 1 A 32 32 ASN C C 541 178.095 177.682 0.413 1
1 325 . 11 1 1 A 32 32 ASN CA C 541 56.010 56.522 -0.512 1
1 326 . 11 1 1 A 32 32 ASN CB C 541 37.881 38.477 -0.596 1
1 327 . 11 1 1 A 32 32 ASN N N 541 118.499 117.780 0.719 1
1 328 . 11 1 1 A 33 33 GLN H H 542 8.158 8.237 -0.079 1
1 329 . 11 1 1 A 33 33 GLN HA H 542 4.029 4.473 -0.444 1
1 333 . 11 1 1 A 33 33 GLN C C 542 178.763 178.872 -0.109 1
1 334 . 11 1 1 A 33 33 GLN CA C 542 58.964 58.829 0.135 1
1 335 . 11 1 1 A 33 33 GLN CB C 542 28.949 28.288 0.661 1
1 337 . 11 1 1 A 33 33 GLN N N 542 121.150 118.296 2.854 1
1 338 . 11 1 1 A 34 34 LEU H H 543 8.606 8.398 0.208 1
1 339 . 11 1 1 A 34 34 LEU HA H 543 4.140 4.286 -0.146 1
1 349 . 11 1 1 A 34 34 LEU C C 543 178.395 178.408 -0.013 1
1 350 . 11 1 1 A 34 34 LEU CA C 543 58.323 57.728 0.595 1
1 351 . 11 1 1 A 34 34 LEU CB C 543 41.979 41.780 0.199 1
1 355 . 11 1 1 A 34 34 LEU N N 543 120.557 122.171 -1.614 1
1 356 . 11 1 1 A 35 35 GLN H H 544 8.170 8.689 -0.519 1
1 357 . 11 1 1 A 35 35 GLN HA H 544 3.969 3.950 0.019 1
1 361 . 11 1 1 A 35 35 GLN C C 544 178.194 178.556 -0.362 1
1 362 . 11 1 1 A 35 35 GLN CA C 544 59.060 59.519 -0.459 1
1 363 . 11 1 1 A 35 35 GLN CB C 544 28.046 28.211 -0.165 1
1 365 . 11 1 1 A 35 35 GLN N N 544 117.978 118.935 -0.957 1
1 366 . 11 1 1 A 36 36 GLN H H 545 7.786 8.266 -0.480 1
1 367 . 11 1 1 A 36 36 GLN HA H 545 4.024 4.075 -0.051 1
1 371 . 11 1 1 A 36 36 GLN C C 545 178.864 178.554 0.310 1
1 372 . 11 1 1 A 36 36 GLN CA C 545 58.857 59.051 -0.194 1
1 373 . 11 1 1 A 36 36 GLN CB C 545 28.112 28.055 0.057 1
1 375 . 11 1 1 A 36 36 GLN N N 545 116.904 118.606 -1.702 1
1 376 . 11 1 1 A 37 37 PHE H H 546 7.734 8.404 -0.670 1
1 377 . 11 1 1 A 37 37 PHE HA H 546 4.233 4.247 -0.014 1
1 382 . 11 1 1 A 37 37 PHE C C 546 178.078 177.485 0.593 1
1 383 . 11 1 1 A 37 37 PHE CA C 546 60.681 61.118 -0.437 1
1 384 . 11 1 1 A 37 37 PHE CB C 546 38.124 39.211 -1.087 1
1 385 . 11 1 1 A 37 37 PHE N N 546 119.594 122.214 -2.620 1
1 386 . 11 1 1 A 38 38 LEU H H 547 8.240 8.278 -0.038 1
1 387 . 11 1 1 A 38 38 LEU HA H 547 4.037 3.375 0.662 1
1 394 . 11 1 1 A 38 38 LEU C C 547 180.193 178.693 1.500 1
1 395 . 11 1 1 A 38 38 LEU CA C 547 57.303 58.103 -0.800 1
1 396 . 11 1 1 A 38 38 LEU CB C 547 41.519 41.205 0.314 1
1 398 . 11 1 1 A 38 38 LEU N N 547 119.925 118.435 1.490 1
1 399 . 11 1 1 A 39 39 GLU H H 548 8.273 8.334 -0.061 1
1 400 . 11 1 1 A 39 39 GLU HA H 548 4.083 3.965 0.118 1
1 403 . 11 1 1 A 39 39 GLU C C 548 178.417 179.305 -0.888 1
1 404 . 11 1 1 A 39 39 GLU CA C 548 58.494 59.475 -0.981 1
1 405 . 11 1 1 A 39 39 GLU CB C 548 29.238 28.986 0.252 1
1 407 . 11 1 1 A 39 39 GLU N N 548 119.463 119.446 0.017 1
1 408 . 11 1 1 A 40 40 ALA H H 549 7.714 8.406 -0.692 1
1 409 . 11 1 1 A 40 40 ALA HA H 549 4.244 4.018 0.226 1
1 413 . 11 1 1 A 40 40 ALA C C 549 179.123 179.724 -0.601 1
1 414 . 11 1 1 A 40 40 ALA CA C 549 53.829 54.962 -1.133 1
1 415 . 11 1 1 A 40 40 ALA CB C 549 18.330 18.272 0.058 1
1 416 . 11 1 1 A 40 40 ALA N N 549 122.046 122.544 -0.498 1
1 417 . 11 1 1 A 41 41 GLN H H 550 7.825 7.657 0.168 1
1 418 . 11 1 1 A 41 41 GLN HA H 550 4.207 3.927 0.280 1
1 423 . 11 1 1 A 41 41 GLN C C 550 177.115 178.591 -1.476 1
1 424 . 11 1 1 A 41 41 GLN CA C 550 56.917 58.701 -1.784 1
1 425 . 11 1 1 A 41 41 GLN CB C 550 28.948 28.358 0.590 1
1 427 . 11 1 1 A 41 41 GLN N N 550 117.391 118.183 -0.792 1
1 428 . 11 1 1 A 42 42 LYS H H 551 7.905 7.688 0.217 1
1 429 . 11 1 1 A 42 42 LYS HA H 551 4.293 4.014 0.279 1
1 435 . 11 1 1 A 42 42 LYS C C 551 177.498 179.270 -1.772 1
1 436 . 11 1 1 A 42 42 LYS CA C 551 57.298 59.098 -1.800 1
1 437 . 11 1 1 A 42 42 LYS CB C 551 32.903 31.934 0.969 1
1 441 . 11 1 1 A 42 42 LYS N N 551 120.398 119.786 0.612 1
1 442 . 11 1 1 A 43 43 SER H H 552 8.144 8.367 -0.223 1
1 443 . 11 1 1 A 43 43 SER HA H 552 4.438 4.158 0.280 1
1 445 . 11 1 1 A 43 43 SER C C 552 174.871 177.154 -2.283 1
1 446 . 11 1 1 A 43 43 SER CA C 552 58.932 62.365 -3.433 1
1 447 . 11 1 1 A 43 43 SER CB C 552 63.785 62.883 0.902 1
1 448 . 11 1 1 A 43 43 SER N N 552 115.839 116.506 -0.667 1
1 449 . 11 1 1 A 44 44 GLU H H 553 8.267 8.198 0.069 1
1 450 . 11 1 1 A 44 44 GLU HA H 553 4.300 4.060 0.240 1
1 454 . 11 1 1 A 44 44 GLU C C 553 177.103 179.955 -2.852 1
1 455 . 11 1 1 A 44 44 GLU CA C 553 56.940 59.217 -2.277 1
1 456 . 11 1 1 A 44 44 GLU CB C 553 29.992 29.131 0.861 1
1 458 . 11 1 1 A 44 44 GLU N N 553 122.271 121.531 0.740 1
1 459 . 11 1 1 A 45 45 GLY H H 554 8.384 8.328 0.056 1
1 460 . 11 1 1 A 45 45 GLY HA2 H 554 3.963 3.637 0.326 1
1 461 . 11 1 1 A 45 45 GLY HA3 H 554 3.963 3.643 0.320 1
1 462 . 11 1 1 A 45 45 GLY C C 554 174.201 175.823 -1.622 1
1 463 . 11 1 1 A 45 45 GLY CA C 554 45.474 47.084 -1.610 1
1 464 . 11 1 1 A 45 45 GLY N N 554 109.533 109.675 -0.142 1
1 465 . 11 1 1 A 46 46 LYS H H 555 8.064 8.734 -0.670 1
1 466 . 11 1 1 A 46 46 LYS HA H 555 4.417 4.215 0.202 1
1 472 . 11 1 1 A 46 46 LYS C C 555 176.485 176.282 0.203 1
1 473 . 11 1 1 A 46 46 LYS CA C 555 56.017 58.198 -2.181 1
1 474 . 11 1 1 A 46 46 LYS CB C 555 33.281 32.094 1.187 1
1 477 . 11 1 1 A 46 46 LYS N N 555 120.660 118.928 1.732 1
1 478 . 11 1 1 A 47 47 SER H H 556 8.391 7.621 0.770 1
1 479 . 11 1 1 A 47 47 SER HA H 556 4.562 4.466 0.096 1
1 482 . 11 1 1 A 47 47 SER C C 556 173.556 174.663 -1.107 1
1 483 . 11 1 1 A 47 47 SER CA C 556 58.444 58.688 -0.244 1
1 484 . 11 1 1 A 47 47 SER CB C 556 64.149 63.757 0.392 1
1 485 . 11 1 1 A 47 47 SER N N 556 117.900 116.446 1.454 1
1 1 . 12 1 1 A 3 3 VAL H H 512 8.411 8.110 0.301 1
1 2 . 12 1 1 A 3 3 VAL HA H 512 4.140 3.554 0.586 1
1 7 . 12 1 1 A 3 3 VAL C C 512 176.681 178.036 -1.355 1
1 8 . 12 1 1 A 3 3 VAL CA C 512 63.248 67.066 -3.818 1
1 9 . 12 1 1 A 3 3 VAL CB C 512 32.219 31.387 0.832 1
1 11 . 12 1 1 A 3 3 VAL N N 512 121.730 122.026 -0.296 1
1 12 . 12 1 1 A 4 4 GLU H H 513 8.552 8.394 0.158 1
1 13 . 12 1 1 A 4 4 GLU HA H 513 4.304 3.973 0.331 1
1 16 . 12 1 1 A 4 4 GLU C C 513 177.624 178.925 -1.301 1
1 17 . 12 1 1 A 4 4 GLU CA C 513 57.945 59.600 -1.655 1
1 18 . 12 1 1 A 4 4 GLU CB C 513 29.784 29.729 0.055 1
1 19 . 12 1 1 A 4 4 GLU N N 513 123.626 120.581 3.045 1
1 20 . 12 1 1 A 5 5 THR H H 514 8.341 7.776 0.565 1
1 21 . 12 1 1 A 5 5 THR HA H 514 4.364 4.100 0.264 1
1 26 . 12 1 1 A 5 5 THR C C 514 175.493 177.463 -1.970 1
1 27 . 12 1 1 A 5 5 THR CA C 514 62.824 65.037 -2.213 1
1 28 . 12 1 1 A 5 5 THR CB C 514 70.032 68.287 1.745 1
1 29 . 12 1 1 A 5 5 THR N N 514 114.159 114.513 -0.354 1
1 30 . 12 1 1 A 6 6 CYS H H 515 8.739 8.341 0.398 1
1 31 . 12 1 1 A 6 6 CYS HA H 515 4.692 4.140 0.552 1
1 34 . 12 1 1 A 6 6 CYS C C 515 178.959 176.938 2.021 1
1 35 . 12 1 1 A 6 6 CYS CA C 515 57.420 62.920 -5.500 1
1 36 . 12 1 1 A 6 6 CYS CB C 515 42.167 26.706 15.461 1
1 37 . 12 1 1 A 6 6 CYS N N 515 119.497 120.362 -0.865 1
1 38 . 12 1 1 A 7 7 MET H H 516 8.380 8.378 0.002 1
1 39 . 12 1 1 A 7 7 MET HA H 516 4.250 4.192 0.058 1
1 44 . 12 1 1 A 7 7 MET C C 516 176.520 178.100 -1.580 1
1 45 . 12 1 1 A 7 7 MET CA C 516 58.813 58.068 0.745 1
1 46 . 12 1 1 A 7 7 MET CB C 516 32.214 31.863 0.351 1
1 47 . 12 1 1 A 7 7 MET N N 516 120.287 122.012 -1.725 1
1 48 . 12 1 1 A 8 8 SER H H 517 8.409 7.810 0.599 1
1 49 . 12 1 1 A 8 8 SER HA H 517 4.339 4.466 -0.127 1
1 51 . 12 1 1 A 8 8 SER C C 517 177.818 177.320 0.498 1
1 52 . 12 1 1 A 8 8 SER CA C 517 61.119 61.231 -0.112 1
1 53 . 12 1 1 A 8 8 SER CB C 517 62.384 62.913 -0.529 1
1 54 . 12 1 1 A 8 8 SER N N 517 116.219 114.284 1.935 1
1 55 . 12 1 1 A 9 9 LEU H H 518 8.017 8.301 -0.284 1
1 56 . 12 1 1 A 9 9 LEU HA H 518 4.144 4.073 0.071 1
1 66 . 12 1 1 A 9 9 LEU C C 518 178.577 178.451 0.126 1
1 67 . 12 1 1 A 9 9 LEU CA C 518 57.927 57.992 -0.065 1
1 68 . 12 1 1 A 9 9 LEU CB C 518 42.987 41.427 1.560 1
1 70 . 12 1 1 A 9 9 LEU N N 518 122.883 123.139 -0.256 1
1 71 . 12 1 1 A 10 10 ALA H H 519 8.085 8.853 -0.768 1
1 72 . 12 1 1 A 10 10 ALA HA H 519 4.044 4.015 0.029 1
1 76 . 12 1 1 A 10 10 ALA C C 519 180.731 179.771 0.960 1
1 77 . 12 1 1 A 10 10 ALA CA C 519 55.810 55.327 0.483 1
1 78 . 12 1 1 A 10 10 ALA CB C 519 17.616 17.655 -0.039 1
1 79 . 12 1 1 A 10 10 ALA N N 519 121.112 121.151 -0.039 1
1 80 . 12 1 1 A 11 11 SER H H 520 7.998 8.373 -0.375 1
1 81 . 12 1 1 A 11 11 SER HA H 520 4.283 4.171 0.112 1
1 83 . 12 1 1 A 11 11 SER C C 520 177.283 176.574 0.709 1
1 84 . 12 1 1 A 11 11 SER CA C 520 61.279 61.478 -0.199 1
1 85 . 12 1 1 A 11 11 SER CB C 520 62.764 62.444 0.320 1
1 86 . 12 1 1 A 11 11 SER N N 520 113.163 113.063 0.100 1
1 87 . 12 1 1 A 12 12 GLN H H 521 8.082 8.146 -0.064 1
1 88 . 12 1 1 A 12 12 GLN HA H 521 4.163 3.965 0.198 1
1 93 . 12 1 1 A 12 12 GLN C C 521 178.439 178.558 -0.119 1
1 94 . 12 1 1 A 12 12 GLN CA C 521 59.321 58.607 0.714 1
1 95 . 12 1 1 A 12 12 GLN CB C 521 28.932 28.582 0.350 1
1 97 . 12 1 1 A 12 12 GLN N N 521 123.452 121.359 2.093 1
1 98 . 12 1 1 A 13 13 VAL H H 522 8.289 8.127 0.162 1
1 99 . 12 1 1 A 13 13 VAL HA H 522 3.489 3.675 -0.186 1
1 107 . 12 1 1 A 13 13 VAL C C 522 179.392 178.301 1.091 1
1 108 . 12 1 1 A 13 13 VAL CA C 522 67.895 66.267 1.628 1
1 109 . 12 1 1 A 13 13 VAL CB C 522 31.597 31.581 0.016 1
1 112 . 12 1 1 A 13 13 VAL N N 522 119.508 119.711 -0.203 1
1 113 . 12 1 1 A 14 14 VAL H H 523 7.651 8.241 -0.590 1
1 114 . 12 1 1 A 14 14 VAL HA H 523 3.674 3.555 0.119 1
1 122 . 12 1 1 A 14 14 VAL C C 523 178.592 178.202 0.390 1
1 123 . 12 1 1 A 14 14 VAL CA C 523 67.190 66.555 0.635 1
1 124 . 12 1 1 A 14 14 VAL CB C 523 31.892 31.392 0.500 1
1 126 . 12 1 1 A 14 14 VAL N N 523 122.425 120.463 1.962 1
1 127 . 12 1 1 A 15 15 LYS H H 524 7.919 8.073 -0.154 1
1 128 . 12 1 1 A 15 15 LYS HA H 524 4.066 3.963 0.103 1
1 134 . 12 1 1 A 15 15 LYS C C 524 179.521 179.747 -0.226 1
1 135 . 12 1 1 A 15 15 LYS CA C 524 60.001 59.986 0.015 1
1 136 . 12 1 1 A 15 15 LYS CB C 524 32.693 32.371 0.322 1
1 139 . 12 1 1 A 15 15 LYS N N 524 120.960 119.502 1.458 1
1 140 . 12 1 1 A 16 16 LEU H H 525 8.939 8.373 0.566 1
1 141 . 12 1 1 A 16 16 LEU HA H 525 4.164 4.062 0.102 1
1 148 . 12 1 1 A 16 16 LEU C C 525 179.118 179.387 -0.269 1
1 149 . 12 1 1 A 16 16 LEU CA C 525 58.071 57.850 0.221 1
1 150 . 12 1 1 A 16 16 LEU CB C 525 43.853 41.692 2.161 1
1 153 . 12 1 1 A 16 16 LEU N N 525 119.646 120.242 -0.596 1
1 154 . 12 1 1 A 17 17 THR H H 526 8.311 8.398 -0.087 1
1 155 . 12 1 1 A 17 17 THR HA H 526 3.822 3.966 -0.144 1
1 160 . 12 1 1 A 17 17 THR C C 526 176.638 176.304 0.334 1
1 161 . 12 1 1 A 17 17 THR CA C 526 67.923 66.654 1.269 1
1 162 . 12 1 1 A 17 17 THR CB C 526 68.655 68.219 0.436 1
1 164 . 12 1 1 A 17 17 THR N N 526 115.841 115.948 -0.107 1
1 165 . 12 1 1 A 18 18 LYS H H 527 7.717 8.569 -0.852 1
1 166 . 12 1 1 A 18 18 LYS HA H 527 4.112 3.950 0.162 1
1 173 . 12 1 1 A 18 18 LYS CA C 527 59.922 59.799 0.123 1
1 174 . 12 1 1 A 18 18 LYS CB C 527 32.354 32.748 -0.394 1
1 176 . 12 1 1 A 18 18 LYS N N 527 123.034 120.512 2.522 1
1 177 . 12 1 1 A 19 19 GLN H H 528 8.319 7.913 0.406 1
1 178 . 12 1 1 A 19 19 GLN HA H 528 4.149 4.031 0.118 1
1 181 . 12 1 1 A 19 19 GLN C C 528 179.236 178.848 0.388 1
1 182 . 12 1 1 A 19 19 GLN CA C 528 59.397 58.770 0.627 1
1 183 . 12 1 1 A 19 19 GLN CB C 528 29.175 28.079 1.096 1
1 184 . 12 1 1 A 19 19 GLN N N 528 119.343 118.436 0.907 1
1 185 . 12 1 1 A 20 20 LEU H H 529 8.869 8.242 0.627 1
1 186 . 12 1 1 A 20 20 LEU HA H 529 4.102 3.982 0.120 1
1 192 . 12 1 1 A 20 20 LEU C C 529 179.709 179.274 0.435 1
1 193 . 12 1 1 A 20 20 LEU CA C 529 58.277 57.888 0.389 1
1 194 . 12 1 1 A 20 20 LEU CB C 529 41.808 41.492 0.316 1
1 195 . 12 1 1 A 20 20 LEU N N 529 121.333 119.764 1.569 1
1 196 . 12 1 1 A 21 21 LYS H H 530 8.126 8.222 -0.096 1
1 197 . 12 1 1 A 21 21 LYS HA H 530 4.097 3.846 0.251 1
1 199 . 12 1 1 A 21 21 LYS C C 530 178.925 179.875 -0.950 1
1 200 . 12 1 1 A 21 21 LYS CA C 530 60.168 60.459 -0.291 1
1 201 . 12 1 1 A 21 21 LYS CB C 530 31.957 32.321 -0.364 1
1 202 . 12 1 1 A 21 21 LYS N N 530 122.900 117.495 5.405 1
1 203 . 12 1 1 A 22 22 GLU H H 531 8.138 8.194 -0.056 1
1 204 . 12 1 1 A 22 22 GLU HA H 531 4.064 4.080 -0.016 1
1 208 . 12 1 1 A 22 22 GLU C C 531 179.710 179.553 0.157 1
1 209 . 12 1 1 A 22 22 GLU CA C 531 59.532 59.168 0.364 1
1 210 . 12 1 1 A 22 22 GLU CB C 531 29.446 29.421 0.025 1
1 212 . 12 1 1 A 22 22 GLU N N 531 118.589 119.232 -0.643 1
1 213 . 12 1 1 A 23 23 GLN H H 532 8.457 8.131 0.326 1
1 214 . 12 1 1 A 23 23 GLN HA H 532 4.139 4.101 0.038 1
1 216 . 12 1 1 A 23 23 GLN C C 532 178.498 178.690 -0.192 1
1 217 . 12 1 1 A 23 23 GLN CA C 532 58.563 58.565 -0.002 1
1 218 . 12 1 1 A 23 23 GLN CB C 532 28.911 28.165 0.746 1
1 219 . 12 1 1 A 23 23 GLN N N 532 118.059 119.962 -1.903 1
1 220 . 12 1 1 A 24 24 THR H H 533 8.325 8.085 0.240 1
1 221 . 12 1 1 A 24 24 THR HA H 533 4.106 4.034 0.072 1
1 226 . 12 1 1 A 24 24 THR C C 533 175.780 176.162 -0.382 1
1 227 . 12 1 1 A 24 24 THR CA C 533 67.023 66.964 0.059 1
1 229 . 12 1 1 A 24 24 THR N N 533 117.397 117.540 -0.143 1
1 230 . 12 1 1 A 25 25 VAL H H 534 7.935 8.351 -0.416 1
1 231 . 12 1 1 A 25 25 VAL HA H 534 3.696 3.725 -0.029 1
1 239 . 12 1 1 A 25 25 VAL C C 534 179.333 177.857 1.476 1
1 240 . 12 1 1 A 25 25 VAL CA C 534 66.691 65.927 0.764 1
1 243 . 12 1 1 A 25 25 VAL N N 534 121.196 117.660 3.536 1
1 244 . 12 1 1 A 26 26 GLU H H 535 7.814 8.244 -0.430 1
1 245 . 12 1 1 A 26 26 GLU HA H 535 4.113 4.036 0.077 1
1 249 . 12 1 1 A 26 26 GLU C C 535 178.221 178.825 -0.604 1
1 250 . 12 1 1 A 26 26 GLU CA C 535 59.597 59.132 0.465 1
1 251 . 12 1 1 A 26 26 GLU CB C 535 29.298 29.110 0.188 1
1 253 . 12 1 1 A 26 26 GLU N N 535 120.430 121.045 -0.615 1
1 254 . 12 1 1 A 27 27 ARG H H 536 8.367 7.746 0.621 1
1 255 . 12 1 1 A 27 27 ARG HA H 536 3.906 4.135 -0.229 1
1 260 . 12 1 1 A 27 27 ARG C C 536 178.119 178.432 -0.313 1
1 261 . 12 1 1 A 27 27 ARG CA C 536 60.845 58.690 2.155 1
1 262 . 12 1 1 A 27 27 ARG CB C 536 27.361 29.959 -2.598 1
1 265 . 12 1 1 A 27 27 ARG N N 536 120.564 120.047 0.517 1
1 266 . 12 1 1 A 28 28 VAL H H 537 8.452 8.188 0.264 1
1 267 . 12 1 1 A 28 28 VAL HA H 537 3.691 3.809 -0.118 1
1 275 . 12 1 1 A 28 28 VAL C C 537 178.392 178.305 0.087 1
1 276 . 12 1 1 A 28 28 VAL CA C 537 66.670 65.411 1.259 1
1 277 . 12 1 1 A 28 28 VAL CB C 537 31.795 31.561 0.234 1
1 280 . 12 1 1 A 28 28 VAL N N 537 120.076 118.745 1.331 1
1 281 . 12 1 1 A 29 29 THR H H 538 8.165 7.994 0.171 1
1 282 . 12 1 1 A 29 29 THR HA H 538 3.985 3.939 0.046 1
1 287 . 12 1 1 A 29 29 THR C C 538 177.201 176.579 0.622 1
1 288 . 12 1 1 A 29 29 THR CA C 538 66.936 66.905 0.031 1
1 289 . 12 1 1 A 29 29 THR CB C 538 68.772 67.755 1.017 1
1 291 . 12 1 1 A 29 29 THR N N 538 117.307 116.919 0.388 1
1 292 . 12 1 1 A 30 30 LEU H H 539 8.145 8.587 -0.442 1
1 293 . 12 1 1 A 30 30 LEU HA H 539 4.181 3.956 0.225 1
1 303 . 12 1 1 A 30 30 LEU C C 539 178.786 178.760 0.026 1
1 304 . 12 1 1 A 30 30 LEU CA C 539 58.312 58.259 0.053 1
1 305 . 12 1 1 A 30 30 LEU CB C 539 42.965 41.727 1.238 1
1 308 . 12 1 1 A 30 30 LEU N N 539 122.885 121.657 1.228 1
1 309 . 12 1 1 A 31 31 GLN H H 540 8.739 8.250 0.489 1
1 310 . 12 1 1 A 31 31 GLN HA H 540 3.976 4.244 -0.268 1
1 315 . 12 1 1 A 31 31 GLN C C 540 179.052 178.536 0.516 1
1 316 . 12 1 1 A 31 31 GLN CA C 540 59.485 59.320 0.165 1
1 317 . 12 1 1 A 31 31 GLN CB C 540 28.488 27.683 0.805 1
1 319 . 12 1 1 A 31 31 GLN N N 540 119.660 117.821 1.839 1
1 320 . 12 1 1 A 32 32 ASN H H 541 8.467 8.518 -0.051 1
1 321 . 12 1 1 A 32 32 ASN HA H 541 4.532 4.436 0.096 1
1 324 . 12 1 1 A 32 32 ASN C C 541 178.095 177.806 0.289 1
1 325 . 12 1 1 A 32 32 ASN CA C 541 56.010 56.454 -0.444 1
1 326 . 12 1 1 A 32 32 ASN CB C 541 37.881 39.031 -1.150 1
1 327 . 12 1 1 A 32 32 ASN N N 541 118.499 117.604 0.895 1
1 328 . 12 1 1 A 33 33 GLN H H 542 8.158 8.497 -0.339 1
1 329 . 12 1 1 A 33 33 GLN HA H 542 4.029 3.990 0.039 1
1 333 . 12 1 1 A 33 33 GLN C C 542 178.763 178.660 0.103 1
1 334 . 12 1 1 A 33 33 GLN CA C 542 58.964 58.986 -0.022 1
1 335 . 12 1 1 A 33 33 GLN CB C 542 28.949 28.037 0.912 1
1 337 . 12 1 1 A 33 33 GLN N N 542 121.150 118.453 2.697 1
1 338 . 12 1 1 A 34 34 LEU H H 543 8.606 8.504 0.102 1
1 339 . 12 1 1 A 34 34 LEU HA H 543 4.140 4.266 -0.126 1
1 349 . 12 1 1 A 34 34 LEU C C 543 178.395 178.323 0.072 1
1 350 . 12 1 1 A 34 34 LEU CA C 543 58.323 57.622 0.701 1
1 351 . 12 1 1 A 34 34 LEU CB C 543 41.979 41.808 0.171 1
1 355 . 12 1 1 A 34 34 LEU N N 543 120.557 120.929 -0.372 1
1 356 . 12 1 1 A 35 35 GLN H H 544 8.170 8.892 -0.722 1
1 357 . 12 1 1 A 35 35 GLN HA H 544 3.969 3.975 -0.006 1
1 361 . 12 1 1 A 35 35 GLN C C 544 178.194 178.647 -0.453 1
1 362 . 12 1 1 A 35 35 GLN CA C 544 59.060 59.503 -0.443 1
1 363 . 12 1 1 A 35 35 GLN CB C 544 28.046 28.200 -0.154 1
1 365 . 12 1 1 A 35 35 GLN N N 544 117.978 118.882 -0.904 1
1 366 . 12 1 1 A 36 36 GLN H H 545 7.786 8.045 -0.259 1
1 367 . 12 1 1 A 36 36 GLN HA H 545 4.024 4.086 -0.062 1
1 371 . 12 1 1 A 36 36 GLN C C 545 178.864 178.517 0.347 1
1 372 . 12 1 1 A 36 36 GLN CA C 545 58.857 58.882 -0.025 1
1 373 . 12 1 1 A 36 36 GLN CB C 545 28.112 28.442 -0.330 1
1 375 . 12 1 1 A 36 36 GLN N N 545 116.904 118.395 -1.491 1
1 376 . 12 1 1 A 37 37 PHE H H 546 7.734 8.246 -0.512 1
1 377 . 12 1 1 A 37 37 PHE HA H 546 4.233 4.204 0.029 1
1 382 . 12 1 1 A 37 37 PHE C C 546 178.078 177.577 0.501 1
1 383 . 12 1 1 A 37 37 PHE CA C 546 60.681 61.258 -0.577 1
1 384 . 12 1 1 A 37 37 PHE CB C 546 38.124 39.193 -1.069 1
1 385 . 12 1 1 A 37 37 PHE N N 546 119.594 122.839 -3.245 1
1 386 . 12 1 1 A 38 38 LEU H H 547 8.240 8.590 -0.350 1
1 387 . 12 1 1 A 38 38 LEU HA H 547 4.037 3.470 0.567 1
1 394 . 12 1 1 A 38 38 LEU C C 547 180.193 178.824 1.369 1
1 395 . 12 1 1 A 38 38 LEU CA C 547 57.303 58.076 -0.773 1
1 396 . 12 1 1 A 38 38 LEU CB C 547 41.519 41.121 0.398 1
1 398 . 12 1 1 A 38 38 LEU N N 547 119.925 118.868 1.057 1
1 399 . 12 1 1 A 39 39 GLU H H 548 8.273 8.330 -0.057 1
1 400 . 12 1 1 A 39 39 GLU HA H 548 4.083 3.971 0.112 1
1 403 . 12 1 1 A 39 39 GLU C C 548 178.417 179.215 -0.798 1
1 404 . 12 1 1 A 39 39 GLU CA C 548 58.494 59.406 -0.912 1
1 405 . 12 1 1 A 39 39 GLU CB C 548 29.238 28.707 0.531 1
1 407 . 12 1 1 A 39 39 GLU N N 548 119.463 119.334 0.129 1
1 408 . 12 1 1 A 40 40 ALA H H 549 7.714 8.495 -0.781 1
1 409 . 12 1 1 A 40 40 ALA HA H 549 4.244 3.989 0.255 1
1 413 . 12 1 1 A 40 40 ALA C C 549 179.123 179.899 -0.776 1
1 414 . 12 1 1 A 40 40 ALA CA C 549 53.829 54.994 -1.165 1
1 415 . 12 1 1 A 40 40 ALA CB C 549 18.330 18.352 -0.022 1
1 416 . 12 1 1 A 40 40 ALA N N 549 122.046 122.739 -0.693 1
1 417 . 12 1 1 A 41 41 GLN H H 550 7.825 7.619 0.206 1
1 418 . 12 1 1 A 41 41 GLN HA H 550 4.207 3.943 0.264 1
1 423 . 12 1 1 A 41 41 GLN C C 550 177.115 178.572 -1.457 1
1 424 . 12 1 1 A 41 41 GLN CA C 550 56.917 58.571 -1.654 1
1 425 . 12 1 1 A 41 41 GLN CB C 550 28.948 28.244 0.704 1
1 427 . 12 1 1 A 41 41 GLN N N 550 117.391 117.970 -0.579 1
1 428 . 12 1 1 A 42 42 LYS H H 551 7.905 7.436 0.469 1
1 429 . 12 1 1 A 42 42 LYS HA H 551 4.293 4.008 0.285 1
1 435 . 12 1 1 A 42 42 LYS C C 551 177.498 179.410 -1.912 1
1 436 . 12 1 1 A 42 42 LYS CA C 551 57.298 59.285 -1.987 1
1 437 . 12 1 1 A 42 42 LYS CB C 551 32.903 31.990 0.913 1
1 441 . 12 1 1 A 42 42 LYS N N 551 120.398 120.260 0.138 1
1 442 . 12 1 1 A 43 43 SER H H 552 8.144 8.024 0.120 1
1 443 . 12 1 1 A 43 43 SER HA H 552 4.438 4.114 0.324 1
1 445 . 12 1 1 A 43 43 SER C C 552 174.871 176.734 -1.863 1
1 446 . 12 1 1 A 43 43 SER CA C 552 58.932 62.093 -3.161 1
1 447 . 12 1 1 A 43 43 SER CB C 552 63.785 62.913 0.872 1
1 448 . 12 1 1 A 43 43 SER N N 552 115.839 117.024 -1.185 1
1 449 . 12 1 1 A 44 44 GLU H H 553 8.267 7.962 0.305 1
1 450 . 12 1 1 A 44 44 GLU HA H 553 4.300 4.043 0.257 1
1 454 . 12 1 1 A 44 44 GLU C C 553 177.103 179.870 -2.767 1
1 455 . 12 1 1 A 44 44 GLU CA C 553 56.940 59.392 -2.452 1
1 456 . 12 1 1 A 44 44 GLU CB C 553 29.992 29.209 0.783 1
1 458 . 12 1 1 A 44 44 GLU N N 553 122.271 121.783 0.488 1
1 459 . 12 1 1 A 45 45 GLY H H 554 8.384 8.564 -0.180 1
1 460 . 12 1 1 A 45 45 GLY HA2 H 554 3.963 3.722 0.241 1
1 461 . 12 1 1 A 45 45 GLY HA3 H 554 3.963 3.727 0.236 1
1 462 . 12 1 1 A 45 45 GLY C C 554 174.201 175.916 -1.715 1
1 463 . 12 1 1 A 45 45 GLY CA C 554 45.474 47.139 -1.665 1
1 464 . 12 1 1 A 45 45 GLY N N 554 109.533 109.437 0.096 1
1 465 . 12 1 1 A 46 46 LYS H H 555 8.064 8.830 -0.766 1
1 466 . 12 1 1 A 46 46 LYS HA H 555 4.417 4.189 0.228 1
1 472 . 12 1 1 A 46 46 LYS C C 555 176.485 176.490 -0.005 1
1 473 . 12 1 1 A 46 46 LYS CA C 555 56.017 58.226 -2.209 1
1 474 . 12 1 1 A 46 46 LYS CB C 555 33.281 31.759 1.522 1
1 477 . 12 1 1 A 46 46 LYS N N 555 120.660 119.243 1.417 1
1 478 . 12 1 1 A 47 47 SER H H 556 8.391 7.643 0.748 1
1 479 . 12 1 1 A 47 47 SER HA H 556 4.562 4.449 0.113 1
1 482 . 12 1 1 A 47 47 SER C C 556 173.556 173.317 0.239 1
1 483 . 12 1 1 A 47 47 SER CA C 556 58.444 57.723 0.721 1
1 484 . 12 1 1 A 47 47 SER CB C 556 64.149 62.208 1.941 1
1 485 . 12 1 1 A 47 47 SER N N 556 117.900 116.272 1.628 1
1 1 . 13 1 1 A 3 3 VAL H H 512 8.411 7.627 0.784 1
1 2 . 13 1 1 A 3 3 VAL HA H 512 4.140 3.541 0.599 1
1 7 . 13 1 1 A 3 3 VAL C C 512 176.681 177.912 -1.231 1
1 8 . 13 1 1 A 3 3 VAL CA C 512 63.248 66.453 -3.205 1
1 9 . 13 1 1 A 3 3 VAL CB C 512 32.219 31.715 0.504 1
1 11 . 13 1 1 A 3 3 VAL N N 512 121.730 121.652 0.078 1
1 12 . 13 1 1 A 4 4 GLU H H 513 8.552 8.368 0.184 1
1 13 . 13 1 1 A 4 4 GLU HA H 513 4.304 4.075 0.229 1
1 16 . 13 1 1 A 4 4 GLU C C 513 177.624 178.832 -1.208 1
1 17 . 13 1 1 A 4 4 GLU CA C 513 57.945 58.651 -0.706 1
1 18 . 13 1 1 A 4 4 GLU CB C 513 29.784 28.485 1.299 1
1 19 . 13 1 1 A 4 4 GLU N N 513 123.626 119.717 3.909 1
1 20 . 13 1 1 A 5 5 THR H H 514 8.341 8.011 0.330 1
1 21 . 13 1 1 A 5 5 THR HA H 514 4.364 3.893 0.471 1
1 26 . 13 1 1 A 5 5 THR C C 514 175.493 177.011 -1.518 1
1 27 . 13 1 1 A 5 5 THR CA C 514 62.824 67.043 -4.219 1
1 28 . 13 1 1 A 5 5 THR CB C 514 70.032 68.725 1.307 1
1 29 . 13 1 1 A 5 5 THR N N 514 114.159 116.329 -2.170 1
1 30 . 13 1 1 A 6 6 CYS H H 515 8.739 8.139 0.600 1
1 31 . 13 1 1 A 6 6 CYS HA H 515 4.692 4.147 0.545 1
1 34 . 13 1 1 A 6 6 CYS C C 515 178.959 176.931 2.028 1
1 35 . 13 1 1 A 6 6 CYS CA C 515 57.420 62.807 -5.387 1
1 36 . 13 1 1 A 6 6 CYS CB C 515 42.167 26.638 15.529 1
1 37 . 13 1 1 A 6 6 CYS N N 515 119.497 118.080 1.417 1
1 38 . 13 1 1 A 7 7 MET H H 516 8.380 8.469 -0.089 1
1 39 . 13 1 1 A 7 7 MET HA H 516 4.250 4.123 0.127 1
1 44 . 13 1 1 A 7 7 MET C C 516 176.520 178.146 -1.626 1
1 45 . 13 1 1 A 7 7 MET CA C 516 58.813 58.089 0.724 1
1 46 . 13 1 1 A 7 7 MET CB C 516 32.214 31.740 0.474 1
1 47 . 13 1 1 A 7 7 MET N N 516 120.287 122.011 -1.724 1
1 48 . 13 1 1 A 8 8 SER H H 517 8.409 8.223 0.186 1
1 49 . 13 1 1 A 8 8 SER HA H 517 4.339 4.395 -0.056 1
1 51 . 13 1 1 A 8 8 SER C C 517 177.818 176.691 1.127 1
1 52 . 13 1 1 A 8 8 SER CA C 517 61.119 61.108 0.011 1
1 53 . 13 1 1 A 8 8 SER CB C 517 62.384 62.914 -0.530 1
1 54 . 13 1 1 A 8 8 SER N N 517 116.219 114.389 1.830 1
1 55 . 13 1 1 A 9 9 LEU H H 518 8.017 7.969 0.048 1
1 56 . 13 1 1 A 9 9 LEU HA H 518 4.144 4.003 0.141 1
1 66 . 13 1 1 A 9 9 LEU C C 518 178.577 179.042 -0.465 1
1 67 . 13 1 1 A 9 9 LEU CA C 518 57.927 57.860 0.067 1
1 68 . 13 1 1 A 9 9 LEU CB C 518 42.987 41.360 1.627 1
1 70 . 13 1 1 A 9 9 LEU N N 518 122.883 119.884 2.999 1
1 71 . 13 1 1 A 10 10 ALA H H 519 8.085 8.346 -0.261 1
1 72 . 13 1 1 A 10 10 ALA HA H 519 4.044 4.047 -0.003 1
1 76 . 13 1 1 A 10 10 ALA C C 519 180.731 179.818 0.913 1
1 77 . 13 1 1 A 10 10 ALA CA C 519 55.810 55.290 0.520 1
1 78 . 13 1 1 A 10 10 ALA CB C 519 17.616 17.766 -0.150 1
1 79 . 13 1 1 A 10 10 ALA N N 519 121.112 122.196 -1.084 1
1 80 . 13 1 1 A 11 11 SER H H 520 7.998 8.257 -0.259 1
1 81 . 13 1 1 A 11 11 SER HA H 520 4.283 4.181 0.102 1
1 83 . 13 1 1 A 11 11 SER C C 520 177.283 177.330 -0.047 1
1 84 . 13 1 1 A 11 11 SER CA C 520 61.279 61.504 -0.225 1
1 85 . 13 1 1 A 11 11 SER CB C 520 62.764 62.545 0.219 1
1 86 . 13 1 1 A 11 11 SER N N 520 113.163 113.066 0.097 1
1 87 . 13 1 1 A 12 12 GLN H H 521 8.082 8.089 -0.007 1
1 88 . 13 1 1 A 12 12 GLN HA H 521 4.163 4.052 0.111 1
1 93 . 13 1 1 A 12 12 GLN C C 521 178.439 178.529 -0.090 1
1 94 . 13 1 1 A 12 12 GLN CA C 521 59.321 59.072 0.249 1
1 95 . 13 1 1 A 12 12 GLN CB C 521 28.932 28.291 0.641 1
1 97 . 13 1 1 A 12 12 GLN N N 521 123.452 122.091 1.361 1
1 98 . 13 1 1 A 13 13 VAL H H 522 8.289 7.969 0.320 1
1 99 . 13 1 1 A 13 13 VAL HA H 522 3.489 3.663 -0.174 1
1 107 . 13 1 1 A 13 13 VAL C C 522 179.392 178.307 1.085 1
1 108 . 13 1 1 A 13 13 VAL CA C 522 67.895 66.353 1.542 1
1 109 . 13 1 1 A 13 13 VAL CB C 522 31.597 31.539 0.058 1
1 112 . 13 1 1 A 13 13 VAL N N 522 119.508 120.193 -0.685 1
1 113 . 13 1 1 A 14 14 VAL H H 523 7.651 8.117 -0.466 1
1 114 . 13 1 1 A 14 14 VAL HA H 523 3.674 3.549 0.125 1
1 122 . 13 1 1 A 14 14 VAL C C 523 178.592 178.302 0.290 1
1 123 . 13 1 1 A 14 14 VAL CA C 523 67.190 66.618 0.572 1
1 124 . 13 1 1 A 14 14 VAL CB C 523 31.892 31.478 0.414 1
1 126 . 13 1 1 A 14 14 VAL N N 523 122.425 120.549 1.876 1
1 127 . 13 1 1 A 15 15 LYS H H 524 7.919 7.983 -0.064 1
1 128 . 13 1 1 A 15 15 LYS HA H 524 4.066 3.997 0.069 1
1 134 . 13 1 1 A 15 15 LYS C C 524 179.521 179.667 -0.146 1
1 135 . 13 1 1 A 15 15 LYS CA C 524 60.001 59.940 0.061 1
1 136 . 13 1 1 A 15 15 LYS CB C 524 32.693 32.214 0.479 1
1 139 . 13 1 1 A 15 15 LYS N N 524 120.960 119.261 1.699 1
1 140 . 13 1 1 A 16 16 LEU H H 525 8.939 8.652 0.287 1
1 141 . 13 1 1 A 16 16 LEU HA H 525 4.164 4.067 0.097 1
1 148 . 13 1 1 A 16 16 LEU C C 525 179.118 179.119 -0.001 1
1 149 . 13 1 1 A 16 16 LEU CA C 525 58.071 57.898 0.173 1
1 150 . 13 1 1 A 16 16 LEU CB C 525 43.853 41.688 2.165 1
1 153 . 13 1 1 A 16 16 LEU N N 525 119.646 120.415 -0.769 1
1 154 . 13 1 1 A 17 17 THR H H 526 8.311 8.573 -0.262 1
1 155 . 13 1 1 A 17 17 THR HA H 526 3.822 3.938 -0.116 1
1 160 . 13 1 1 A 17 17 THR C C 526 176.638 176.775 -0.137 1
1 161 . 13 1 1 A 17 17 THR CA C 526 67.923 65.247 2.676 1
1 162 . 13 1 1 A 17 17 THR CB C 526 68.655 68.583 0.072 1
1 164 . 13 1 1 A 17 17 THR N N 526 115.841 112.989 2.852 1
1 165 . 13 1 1 A 18 18 LYS H H 527 7.717 7.926 -0.209 1
1 166 . 13 1 1 A 18 18 LYS HA H 527 4.112 3.960 0.152 1
1 173 . 13 1 1 A 18 18 LYS CA C 527 59.922 59.351 0.571 1
1 174 . 13 1 1 A 18 18 LYS CB C 527 32.354 32.136 0.218 1
1 176 . 13 1 1 A 18 18 LYS N N 527 123.034 120.687 2.347 1
1 177 . 13 1 1 A 19 19 GLN H H 528 8.319 8.221 0.098 1
1 178 . 13 1 1 A 19 19 GLN HA H 528 4.149 4.026 0.123 1
1 181 . 13 1 1 A 19 19 GLN C C 528 179.236 178.919 0.317 1
1 182 . 13 1 1 A 19 19 GLN CA C 528 59.397 58.723 0.674 1
1 183 . 13 1 1 A 19 19 GLN CB C 528 29.175 27.870 1.305 1
1 184 . 13 1 1 A 19 19 GLN N N 528 119.343 118.572 0.771 1
1 185 . 13 1 1 A 20 20 LEU H H 529 8.869 8.636 0.233 1
1 186 . 13 1 1 A 20 20 LEU HA H 529 4.102 3.969 0.133 1
1 192 . 13 1 1 A 20 20 LEU C C 529 179.709 179.320 0.389 1
1 193 . 13 1 1 A 20 20 LEU CA C 529 58.277 57.867 0.410 1
1 194 . 13 1 1 A 20 20 LEU CB C 529 41.808 41.461 0.347 1
1 195 . 13 1 1 A 20 20 LEU N N 529 121.333 120.406 0.927 1
1 196 . 13 1 1 A 21 21 LYS H H 530 8.126 7.902 0.224 1
1 197 . 13 1 1 A 21 21 LYS HA H 530 4.097 3.932 0.165 1
1 199 . 13 1 1 A 21 21 LYS C C 530 178.925 179.739 -0.814 1
1 200 . 13 1 1 A 21 21 LYS CA C 530 60.168 60.318 -0.150 1
1 201 . 13 1 1 A 21 21 LYS CB C 530 31.957 32.179 -0.222 1
1 202 . 13 1 1 A 21 21 LYS N N 530 122.900 117.525 5.375 1
1 203 . 13 1 1 A 22 22 GLU H H 531 8.138 8.359 -0.221 1
1 204 . 13 1 1 A 22 22 GLU HA H 531 4.064 4.086 -0.022 1
1 208 . 13 1 1 A 22 22 GLU C C 531 179.710 179.435 0.275 1
1 209 . 13 1 1 A 22 22 GLU CA C 531 59.532 59.168 0.364 1
1 210 . 13 1 1 A 22 22 GLU CB C 531 29.446 29.434 0.012 1
1 212 . 13 1 1 A 22 22 GLU N N 531 118.589 119.194 -0.605 1
1 213 . 13 1 1 A 23 23 GLN H H 532 8.457 8.230 0.227 1
1 214 . 13 1 1 A 23 23 GLN HA H 532 4.139 4.075 0.064 1
1 216 . 13 1 1 A 23 23 GLN C C 532 178.498 178.579 -0.081 1
1 217 . 13 1 1 A 23 23 GLN CA C 532 58.563 58.577 -0.014 1
1 218 . 13 1 1 A 23 23 GLN CB C 532 28.911 28.066 0.845 1
1 219 . 13 1 1 A 23 23 GLN N N 532 118.059 119.993 -1.934 1
1 220 . 13 1 1 A 24 24 THR H H 533 8.325 7.860 0.465 1
1 221 . 13 1 1 A 24 24 THR HA H 533 4.106 4.051 0.055 1
1 226 . 13 1 1 A 24 24 THR C C 533 175.780 176.344 -0.564 1
1 227 . 13 1 1 A 24 24 THR CA C 533 67.023 66.922 0.101 1
1 229 . 13 1 1 A 24 24 THR N N 533 117.397 117.534 -0.137 1
1 230 . 13 1 1 A 25 25 VAL H H 534 7.935 7.912 0.023 1
1 231 . 13 1 1 A 25 25 VAL HA H 534 3.696 3.721 -0.025 1
1 239 . 13 1 1 A 25 25 VAL C C 534 179.333 177.828 1.505 1
1 240 . 13 1 1 A 25 25 VAL CA C 534 66.691 65.873 0.818 1
1 243 . 13 1 1 A 25 25 VAL N N 534 121.196 117.976 3.220 1
1 244 . 13 1 1 A 26 26 GLU H H 535 7.814 8.335 -0.521 1
1 245 . 13 1 1 A 26 26 GLU HA H 535 4.113 4.009 0.104 1
1 249 . 13 1 1 A 26 26 GLU C C 535 178.221 178.829 -0.608 1
1 250 . 13 1 1 A 26 26 GLU CA C 535 59.597 58.974 0.623 1
1 251 . 13 1 1 A 26 26 GLU CB C 535 29.298 29.033 0.265 1
1 253 . 13 1 1 A 26 26 GLU N N 535 120.430 121.038 -0.608 1
1 254 . 13 1 1 A 27 27 ARG H H 536 8.367 7.904 0.463 1
1 255 . 13 1 1 A 27 27 ARG HA H 536 3.906 4.164 -0.258 1
1 260 . 13 1 1 A 27 27 ARG C C 536 178.119 178.458 -0.339 1
1 261 . 13 1 1 A 27 27 ARG CA C 536 60.845 58.604 2.241 1
1 262 . 13 1 1 A 27 27 ARG CB C 536 27.361 29.939 -2.578 1
1 265 . 13 1 1 A 27 27 ARG N N 536 120.564 120.179 0.385 1
1 266 . 13 1 1 A 28 28 VAL H H 537 8.452 8.385 0.067 1
1 267 . 13 1 1 A 28 28 VAL HA H 537 3.691 3.807 -0.116 1
1 275 . 13 1 1 A 28 28 VAL C C 537 178.392 178.158 0.234 1
1 276 . 13 1 1 A 28 28 VAL CA C 537 66.670 65.484 1.186 1
1 277 . 13 1 1 A 28 28 VAL CB C 537 31.795 31.649 0.146 1
1 280 . 13 1 1 A 28 28 VAL N N 537 120.076 118.702 1.374 1
1 281 . 13 1 1 A 29 29 THR H H 538 8.165 7.904 0.261 1
1 282 . 13 1 1 A 29 29 THR HA H 538 3.985 3.975 0.010 1
1 287 . 13 1 1 A 29 29 THR C C 538 177.201 176.619 0.582 1
1 288 . 13 1 1 A 29 29 THR CA C 538 66.936 66.781 0.155 1
1 289 . 13 1 1 A 29 29 THR CB C 538 68.772 67.841 0.931 1
1 291 . 13 1 1 A 29 29 THR N N 538 117.307 116.819 0.488 1
1 292 . 13 1 1 A 30 30 LEU H H 539 8.145 8.541 -0.396 1
1 293 . 13 1 1 A 30 30 LEU HA H 539 4.181 4.008 0.173 1
1 303 . 13 1 1 A 30 30 LEU C C 539 178.786 178.777 0.009 1
1 304 . 13 1 1 A 30 30 LEU CA C 539 58.312 58.109 0.203 1
1 305 . 13 1 1 A 30 30 LEU CB C 539 42.965 41.584 1.381 1
1 308 . 13 1 1 A 30 30 LEU N N 539 122.885 121.690 1.195 1
1 309 . 13 1 1 A 31 31 GLN H H 540 8.739 8.943 -0.204 1
1 310 . 13 1 1 A 31 31 GLN HA H 540 3.976 4.004 -0.028 1
1 315 . 13 1 1 A 31 31 GLN C C 540 179.052 178.503 0.549 1
1 316 . 13 1 1 A 31 31 GLN CA C 540 59.485 59.203 0.282 1
1 317 . 13 1 1 A 31 31 GLN CB C 540 28.488 28.086 0.402 1
1 319 . 13 1 1 A 31 31 GLN N N 540 119.660 118.036 1.624 1
1 320 . 13 1 1 A 32 32 ASN H H 541 8.467 8.321 0.146 1
1 321 . 13 1 1 A 32 32 ASN HA H 541 4.532 4.446 0.086 1
1 324 . 13 1 1 A 32 32 ASN C C 541 178.095 177.729 0.366 1
1 325 . 13 1 1 A 32 32 ASN CA C 541 56.010 56.552 -0.542 1
1 326 . 13 1 1 A 32 32 ASN CB C 541 37.881 39.091 -1.210 1
1 327 . 13 1 1 A 32 32 ASN N N 541 118.499 117.564 0.935 1
1 328 . 13 1 1 A 33 33 GLN H H 542 8.158 7.767 0.391 1
1 329 . 13 1 1 A 33 33 GLN HA H 542 4.029 4.049 -0.020 1
1 333 . 13 1 1 A 33 33 GLN C C 542 178.763 178.946 -0.183 1
1 334 . 13 1 1 A 33 33 GLN CA C 542 58.964 58.802 0.162 1
1 335 . 13 1 1 A 33 33 GLN CB C 542 28.949 28.276 0.673 1
1 337 . 13 1 1 A 33 33 GLN N N 542 121.150 118.009 3.141 1
1 338 . 13 1 1 A 34 34 LEU H H 543 8.606 8.628 -0.022 1
1 339 . 13 1 1 A 34 34 LEU HA H 543 4.140 4.268 -0.128 1
1 349 . 13 1 1 A 34 34 LEU C C 543 178.395 178.348 0.047 1
1 350 . 13 1 1 A 34 34 LEU CA C 543 58.323 57.669 0.654 1
1 351 . 13 1 1 A 34 34 LEU CB C 543 41.979 41.597 0.382 1
1 355 . 13 1 1 A 34 34 LEU N N 543 120.557 121.746 -1.189 1
1 356 . 13 1 1 A 35 35 GLN H H 544 8.170 8.740 -0.570 1
1 357 . 13 1 1 A 35 35 GLN HA H 544 3.969 3.954 0.015 1
1 361 . 13 1 1 A 35 35 GLN C C 544 178.194 178.553 -0.359 1
1 362 . 13 1 1 A 35 35 GLN CA C 544 59.060 59.477 -0.417 1
1 363 . 13 1 1 A 35 35 GLN CB C 544 28.046 28.229 -0.183 1
1 365 . 13 1 1 A 35 35 GLN N N 544 117.978 118.909 -0.931 1
1 366 . 13 1 1 A 36 36 GLN H H 545 7.786 8.017 -0.231 1
1 367 . 13 1 1 A 36 36 GLN HA H 545 4.024 4.079 -0.055 1
1 371 . 13 1 1 A 36 36 GLN C C 545 178.864 178.547 0.317 1
1 372 . 13 1 1 A 36 36 GLN CA C 545 58.857 58.905 -0.048 1
1 373 . 13 1 1 A 36 36 GLN CB C 545 28.112 28.344 -0.232 1
1 375 . 13 1 1 A 36 36 GLN N N 545 116.904 118.565 -1.661 1
1 376 . 13 1 1 A 37 37 PHE H H 546 7.734 8.327 -0.593 1
1 377 . 13 1 1 A 37 37 PHE HA H 546 4.233 4.205 0.028 1
1 382 . 13 1 1 A 37 37 PHE C C 546 178.078 177.578 0.500 1
1 383 . 13 1 1 A 37 37 PHE CA C 546 60.681 61.221 -0.540 1
1 384 . 13 1 1 A 37 37 PHE CB C 546 38.124 39.294 -1.170 1
1 385 . 13 1 1 A 37 37 PHE N N 546 119.594 122.837 -3.243 1
1 386 . 13 1 1 A 38 38 LEU H H 547 8.240 8.509 -0.269 1
1 387 . 13 1 1 A 38 38 LEU HA H 547 4.037 3.456 0.581 1
1 394 . 13 1 1 A 38 38 LEU C C 547 180.193 178.644 1.549 1
1 395 . 13 1 1 A 38 38 LEU CA C 547 57.303 58.168 -0.865 1
1 396 . 13 1 1 A 38 38 LEU CB C 547 41.519 41.261 0.258 1
1 398 . 13 1 1 A 38 38 LEU N N 547 119.925 118.883 1.042 1
1 399 . 13 1 1 A 39 39 GLU H H 548 8.273 8.289 -0.016 1
1 400 . 13 1 1 A 39 39 GLU HA H 548 4.083 3.971 0.112 1
1 403 . 13 1 1 A 39 39 GLU C C 548 178.417 179.372 -0.955 1
1 404 . 13 1 1 A 39 39 GLU CA C 548 58.494 59.532 -1.038 1
1 405 . 13 1 1 A 39 39 GLU CB C 548 29.238 29.050 0.188 1
1 407 . 13 1 1 A 39 39 GLU N N 548 119.463 119.425 0.038 1
1 408 . 13 1 1 A 40 40 ALA H H 549 7.714 8.301 -0.587 1
1 409 . 13 1 1 A 40 40 ALA HA H 549 4.244 4.010 0.234 1
1 413 . 13 1 1 A 40 40 ALA C C 549 179.123 180.396 -1.273 1
1 414 . 13 1 1 A 40 40 ALA CA C 549 53.829 54.925 -1.096 1
1 415 . 13 1 1 A 40 40 ALA CB C 549 18.330 18.340 -0.010 1
1 416 . 13 1 1 A 40 40 ALA N N 549 122.046 122.590 -0.544 1
1 417 . 13 1 1 A 41 41 GLN H H 550 7.825 7.841 -0.016 1
1 418 . 13 1 1 A 41 41 GLN HA H 550 4.207 3.992 0.215 1
1 423 . 13 1 1 A 41 41 GLN C C 550 177.115 178.529 -1.414 1
1 424 . 13 1 1 A 41 41 GLN CA C 550 56.917 58.430 -1.513 1
1 425 . 13 1 1 A 41 41 GLN CB C 550 28.948 28.115 0.833 1
1 427 . 13 1 1 A 41 41 GLN N N 550 117.391 117.906 -0.515 1
1 428 . 13 1 1 A 42 42 LYS H H 551 7.905 7.310 0.595 1
1 429 . 13 1 1 A 42 42 LYS HA H 551 4.293 4.022 0.271 1
1 435 . 13 1 1 A 42 42 LYS C C 551 177.498 179.373 -1.875 1
1 436 . 13 1 1 A 42 42 LYS CA C 551 57.298 59.263 -1.965 1
1 437 . 13 1 1 A 42 42 LYS CB C 551 32.903 32.519 0.384 1
1 441 . 13 1 1 A 42 42 LYS N N 551 120.398 120.549 -0.151 1
1 442 . 13 1 1 A 43 43 SER H H 552 8.144 8.093 0.051 1
1 443 . 13 1 1 A 43 43 SER HA H 552 4.438 4.160 0.278 1
1 445 . 13 1 1 A 43 43 SER C C 552 174.871 175.735 -0.864 1
1 446 . 13 1 1 A 43 43 SER CA C 552 58.932 61.587 -2.655 1
1 447 . 13 1 1 A 43 43 SER CB C 552 63.785 63.103 0.682 1
1 448 . 13 1 1 A 43 43 SER N N 552 115.839 117.469 -1.630 1
1 449 . 13 1 1 A 44 44 GLU H H 553 8.267 8.389 -0.122 1
1 450 . 13 1 1 A 44 44 GLU HA H 553 4.300 4.243 0.057 1
1 454 . 13 1 1 A 44 44 GLU C C 553 177.103 179.659 -2.556 1
1 455 . 13 1 1 A 44 44 GLU CA C 553 56.940 58.468 -1.528 1
1 456 . 13 1 1 A 44 44 GLU CB C 553 29.992 29.550 0.442 1
1 458 . 13 1 1 A 44 44 GLU N N 553 122.271 120.175 2.096 1
1 459 . 13 1 1 A 45 45 GLY H H 554 8.384 8.063 0.321 1
1 460 . 13 1 1 A 45 45 GLY HA2 H 554 3.963 3.741 0.222 1
1 461 . 13 1 1 A 45 45 GLY HA3 H 554 3.963 3.751 0.212 1
1 462 . 13 1 1 A 45 45 GLY C C 554 174.201 176.081 -1.880 1
1 463 . 13 1 1 A 45 45 GLY CA C 554 45.474 46.723 -1.249 1
1 464 . 13 1 1 A 45 45 GLY N N 554 109.533 110.003 -0.470 1
1 465 . 13 1 1 A 46 46 LYS H H 555 8.064 8.677 -0.613 1
1 466 . 13 1 1 A 46 46 LYS HA H 555 4.417 4.148 0.269 1
1 472 . 13 1 1 A 46 46 LYS C C 555 176.485 176.361 0.124 1
1 473 . 13 1 1 A 46 46 LYS CA C 555 56.017 58.374 -2.357 1
1 474 . 13 1 1 A 46 46 LYS CB C 555 33.281 31.901 1.380 1
1 477 . 13 1 1 A 46 46 LYS N N 555 120.660 119.528 1.132 1
1 478 . 13 1 1 A 47 47 SER H H 556 8.391 7.784 0.607 1
1 479 . 13 1 1 A 47 47 SER HA H 556 4.562 4.557 0.005 1
1 482 . 13 1 1 A 47 47 SER C C 556 173.556 175.186 -1.630 1
1 483 . 13 1 1 A 47 47 SER CA C 556 58.444 56.968 1.476 1
1 484 . 13 1 1 A 47 47 SER CB C 556 64.149 63.116 1.033 1
1 485 . 13 1 1 A 47 47 SER N N 556 117.900 115.968 1.932 1
1 1 . 14 1 1 A 3 3 VAL H H 512 8.411 8.723 -0.312 1
1 2 . 14 1 1 A 3 3 VAL HA H 512 4.140 3.661 0.479 1
1 7 . 14 1 1 A 3 3 VAL C C 512 176.681 177.498 -0.817 1
1 8 . 14 1 1 A 3 3 VAL CA C 512 63.248 66.081 -2.833 1
1 9 . 14 1 1 A 3 3 VAL CB C 512 32.219 31.383 0.836 1
1 11 . 14 1 1 A 3 3 VAL N N 512 121.730 127.050 -5.320 1
1 12 . 14 1 1 A 4 4 GLU H H 513 8.552 8.495 0.057 1
1 13 . 14 1 1 A 4 4 GLU HA H 513 4.304 3.977 0.327 1
1 16 . 14 1 1 A 4 4 GLU C C 513 177.624 179.021 -1.397 1
1 17 . 14 1 1 A 4 4 GLU CA C 513 57.945 59.449 -1.504 1
1 18 . 14 1 1 A 4 4 GLU CB C 513 29.784 29.099 0.685 1
1 19 . 14 1 1 A 4 4 GLU N N 513 123.626 120.376 3.250 1
1 20 . 14 1 1 A 5 5 THR H H 514 8.341 8.043 0.298 1
1 21 . 14 1 1 A 5 5 THR HA H 514 4.364 4.069 0.295 1
1 26 . 14 1 1 A 5 5 THR C C 514 175.493 176.615 -1.122 1
1 27 . 14 1 1 A 5 5 THR CA C 514 62.824 65.251 -2.427 1
1 28 . 14 1 1 A 5 5 THR CB C 514 70.032 68.335 1.697 1
1 29 . 14 1 1 A 5 5 THR N N 514 114.159 113.236 0.923 1
1 30 . 14 1 1 A 6 6 CYS H H 515 8.739 8.265 0.474 1
1 31 . 14 1 1 A 6 6 CYS HA H 515 4.692 4.009 0.683 1
1 34 . 14 1 1 A 6 6 CYS C C 515 178.959 176.963 1.996 1
1 35 . 14 1 1 A 6 6 CYS CA C 515 57.420 62.670 -5.250 1
1 36 . 14 1 1 A 6 6 CYS CB C 515 42.167 27.078 15.089 1
1 37 . 14 1 1 A 6 6 CYS N N 515 119.497 121.411 -1.914 1
1 38 . 14 1 1 A 7 7 MET H H 516 8.380 8.590 -0.210 1
1 39 . 14 1 1 A 7 7 MET HA H 516 4.250 4.163 0.087 1
1 44 . 14 1 1 A 7 7 MET C C 516 176.520 178.208 -1.688 1
1 45 . 14 1 1 A 7 7 MET CA C 516 58.813 58.118 0.695 1
1 46 . 14 1 1 A 7 7 MET CB C 516 32.214 32.113 0.101 1
1 47 . 14 1 1 A 7 7 MET N N 516 120.287 120.751 -0.464 1
1 48 . 14 1 1 A 8 8 SER H H 517 8.409 7.989 0.420 1
1 49 . 14 1 1 A 8 8 SER HA H 517 4.339 4.253 0.086 1
1 51 . 14 1 1 A 8 8 SER C C 517 177.818 176.695 1.123 1
1 52 . 14 1 1 A 8 8 SER CA C 517 61.119 61.260 -0.141 1
1 53 . 14 1 1 A 8 8 SER CB C 517 62.384 62.988 -0.604 1
1 54 . 14 1 1 A 8 8 SER N N 517 116.219 114.309 1.910 1
1 55 . 14 1 1 A 9 9 LEU H H 518 8.017 7.723 0.294 1
1 56 . 14 1 1 A 9 9 LEU HA H 518 4.144 4.015 0.129 1
1 66 . 14 1 1 A 9 9 LEU C C 518 178.577 179.090 -0.513 1
1 67 . 14 1 1 A 9 9 LEU CA C 518 57.927 57.807 0.120 1
1 68 . 14 1 1 A 9 9 LEU CB C 518 42.987 41.313 1.674 1
1 70 . 14 1 1 A 9 9 LEU N N 518 122.883 119.950 2.933 1
1 71 . 14 1 1 A 10 10 ALA H H 519 8.085 8.864 -0.779 1
1 72 . 14 1 1 A 10 10 ALA HA H 519 4.044 4.077 -0.033 1
1 76 . 14 1 1 A 10 10 ALA C C 519 180.731 179.839 0.892 1
1 77 . 14 1 1 A 10 10 ALA CA C 519 55.810 55.258 0.552 1
1 78 . 14 1 1 A 10 10 ALA CB C 519 17.616 17.851 -0.235 1
1 79 . 14 1 1 A 10 10 ALA N N 519 121.112 121.994 -0.882 1
1 80 . 14 1 1 A 11 11 SER H H 520 7.998 8.214 -0.216 1
1 81 . 14 1 1 A 11 11 SER HA H 520 4.283 4.168 0.115 1
1 83 . 14 1 1 A 11 11 SER C C 520 177.283 176.706 0.577 1
1 84 . 14 1 1 A 11 11 SER CA C 520 61.279 61.480 -0.201 1
1 85 . 14 1 1 A 11 11 SER CB C 520 62.764 62.456 0.308 1
1 86 . 14 1 1 A 11 11 SER N N 520 113.163 112.996 0.167 1
1 87 . 14 1 1 A 12 12 GLN H H 521 8.082 7.811 0.271 1
1 88 . 14 1 1 A 12 12 GLN HA H 521 4.163 4.002 0.161 1
1 93 . 14 1 1 A 12 12 GLN C C 521 178.439 178.322 0.117 1
1 94 . 14 1 1 A 12 12 GLN CA C 521 59.321 58.646 0.675 1
1 95 . 14 1 1 A 12 12 GLN CB C 521 28.932 28.420 0.512 1
1 97 . 14 1 1 A 12 12 GLN N N 521 123.452 121.254 2.198 1
1 98 . 14 1 1 A 13 13 VAL H H 522 8.289 8.104 0.185 1
1 99 . 14 1 1 A 13 13 VAL HA H 522 3.489 3.594 -0.105 1
1 107 . 14 1 1 A 13 13 VAL C C 522 179.392 178.408 0.984 1
1 108 . 14 1 1 A 13 13 VAL CA C 522 67.895 66.407 1.488 1
1 109 . 14 1 1 A 13 13 VAL CB C 522 31.597 31.436 0.161 1
1 112 . 14 1 1 A 13 13 VAL N N 522 119.508 119.850 -0.342 1
1 113 . 14 1 1 A 14 14 VAL H H 523 7.651 8.420 -0.769 1
1 114 . 14 1 1 A 14 14 VAL HA H 523 3.674 3.540 0.134 1
1 122 . 14 1 1 A 14 14 VAL C C 523 178.592 177.981 0.611 1
1 123 . 14 1 1 A 14 14 VAL CA C 523 67.190 66.593 0.597 1
1 124 . 14 1 1 A 14 14 VAL CB C 523 31.892 31.346 0.546 1
1 126 . 14 1 1 A 14 14 VAL N N 523 122.425 120.568 1.857 1
1 127 . 14 1 1 A 15 15 LYS H H 524 7.919 8.035 -0.116 1
1 128 . 14 1 1 A 15 15 LYS HA H 524 4.066 3.930 0.136 1
1 134 . 14 1 1 A 15 15 LYS C C 524 179.521 179.602 -0.081 1
1 135 . 14 1 1 A 15 15 LYS CA C 524 60.001 60.111 -0.110 1
1 136 . 14 1 1 A 15 15 LYS CB C 524 32.693 32.389 0.304 1
1 139 . 14 1 1 A 15 15 LYS N N 524 120.960 119.513 1.447 1
1 140 . 14 1 1 A 16 16 LEU H H 525 8.939 8.095 0.844 1
1 141 . 14 1 1 A 16 16 LEU HA H 525 4.164 4.015 0.149 1
1 148 . 14 1 1 A 16 16 LEU C C 525 179.118 179.040 0.078 1
1 149 . 14 1 1 A 16 16 LEU CA C 525 58.071 57.867 0.204 1
1 150 . 14 1 1 A 16 16 LEU CB C 525 43.853 41.876 1.977 1
1 153 . 14 1 1 A 16 16 LEU N N 525 119.646 120.515 -0.869 1
1 154 . 14 1 1 A 17 17 THR H H 526 8.311 8.663 -0.352 1
1 155 . 14 1 1 A 17 17 THR HA H 526 3.822 3.953 -0.131 1
1 160 . 14 1 1 A 17 17 THR C C 526 176.638 176.243 0.395 1
1 161 . 14 1 1 A 17 17 THR CA C 526 67.923 66.919 1.004 1
1 162 . 14 1 1 A 17 17 THR CB C 526 68.655 68.052 0.603 1
1 164 . 14 1 1 A 17 17 THR N N 526 115.841 115.404 0.437 1
1 165 . 14 1 1 A 18 18 LYS H H 527 7.717 8.256 -0.539 1
1 166 . 14 1 1 A 18 18 LYS HA H 527 4.112 3.966 0.146 1
1 173 . 14 1 1 A 18 18 LYS CA C 527 59.922 59.788 0.134 1
1 174 . 14 1 1 A 18 18 LYS CB C 527 32.354 32.553 -0.199 1
1 176 . 14 1 1 A 18 18 LYS N N 527 123.034 120.443 2.591 1
1 177 . 14 1 1 A 19 19 GLN H H 528 8.319 7.675 0.644 1
1 178 . 14 1 1 A 19 19 GLN HA H 528 4.149 4.050 0.099 1
1 181 . 14 1 1 A 19 19 GLN C C 528 179.236 179.211 0.025 1
1 182 . 14 1 1 A 19 19 GLN CA C 528 59.397 58.597 0.800 1
1 183 . 14 1 1 A 19 19 GLN CB C 528 29.175 28.419 0.756 1
1 184 . 14 1 1 A 19 19 GLN N N 528 119.343 118.704 0.639 1
1 185 . 14 1 1 A 20 20 LEU H H 529 8.869 8.672 0.197 1
1 186 . 14 1 1 A 20 20 LEU HA H 529 4.102 3.994 0.108 1
1 192 . 14 1 1 A 20 20 LEU C C 529 179.709 179.126 0.583 1
1 193 . 14 1 1 A 20 20 LEU CA C 529 58.277 57.898 0.379 1
1 194 . 14 1 1 A 20 20 LEU CB C 529 41.808 41.406 0.402 1
1 195 . 14 1 1 A 20 20 LEU N N 529 121.333 120.320 1.013 1
1 196 . 14 1 1 A 21 21 LYS H H 530 8.126 8.437 -0.311 1
1 197 . 14 1 1 A 21 21 LYS HA H 530 4.097 3.946 0.151 1
1 199 . 14 1 1 A 21 21 LYS C C 530 178.925 178.890 0.035 1
1 200 . 14 1 1 A 21 21 LYS CA C 530 60.168 59.748 0.420 1
1 201 . 14 1 1 A 21 21 LYS CB C 530 31.957 32.562 -0.605 1
1 202 . 14 1 1 A 21 21 LYS N N 530 122.900 120.269 2.631 1
1 203 . 14 1 1 A 22 22 GLU H H 531 8.138 8.018 0.120 1
1 204 . 14 1 1 A 22 22 GLU HA H 531 4.064 4.099 -0.035 1
1 208 . 14 1 1 A 22 22 GLU C C 531 179.710 179.767 -0.057 1
1 209 . 14 1 1 A 22 22 GLU CA C 531 59.532 59.133 0.399 1
1 210 . 14 1 1 A 22 22 GLU CB C 531 29.446 29.457 -0.011 1
1 212 . 14 1 1 A 22 22 GLU N N 531 118.589 118.859 -0.270 1
1 213 . 14 1 1 A 23 23 GLN H H 532 8.457 8.105 0.352 1
1 214 . 14 1 1 A 23 23 GLN HA H 532 4.139 4.100 0.039 1
1 216 . 14 1 1 A 23 23 GLN C C 532 178.498 178.832 -0.334 1
1 217 . 14 1 1 A 23 23 GLN CA C 532 58.563 58.584 -0.021 1
1 218 . 14 1 1 A 23 23 GLN CB C 532 28.911 28.091 0.820 1
1 219 . 14 1 1 A 23 23 GLN N N 532 118.059 120.043 -1.984 1
1 220 . 14 1 1 A 24 24 THR H H 533 8.325 8.106 0.219 1
1 221 . 14 1 1 A 24 24 THR HA H 533 4.106 4.033 0.073 1
1 226 . 14 1 1 A 24 24 THR C C 533 175.780 176.230 -0.450 1
1 227 . 14 1 1 A 24 24 THR CA C 533 67.023 66.978 0.045 1
1 229 . 14 1 1 A 24 24 THR N N 533 117.397 117.544 -0.147 1
1 230 . 14 1 1 A 25 25 VAL H H 534 7.935 8.317 -0.382 1
1 231 . 14 1 1 A 25 25 VAL HA H 534 3.696 3.724 -0.028 1
1 239 . 14 1 1 A 25 25 VAL C C 534 179.333 177.850 1.483 1
1 240 . 14 1 1 A 25 25 VAL CA C 534 66.691 65.967 0.724 1
1 243 . 14 1 1 A 25 25 VAL N N 534 121.196 117.467 3.729 1
1 244 . 14 1 1 A 26 26 GLU H H 535 7.814 8.475 -0.661 1
1 245 . 14 1 1 A 26 26 GLU HA H 535 4.113 4.002 0.111 1
1 249 . 14 1 1 A 26 26 GLU C C 535 178.221 178.846 -0.625 1
1 250 . 14 1 1 A 26 26 GLU CA C 535 59.597 58.932 0.665 1
1 251 . 14 1 1 A 26 26 GLU CB C 535 29.298 28.998 0.300 1
1 253 . 14 1 1 A 26 26 GLU N N 535 120.430 121.009 -0.579 1
1 254 . 14 1 1 A 27 27 ARG H H 536 8.367 7.731 0.636 1
1 255 . 14 1 1 A 27 27 ARG HA H 536 3.906 4.145 -0.239 1
1 260 . 14 1 1 A 27 27 ARG C C 536 178.119 178.372 -0.253 1
1 261 . 14 1 1 A 27 27 ARG CA C 536 60.845 58.685 2.160 1
1 262 . 14 1 1 A 27 27 ARG CB C 536 27.361 30.138 -2.777 1
1 265 . 14 1 1 A 27 27 ARG N N 536 120.564 120.150 0.414 1
1 266 . 14 1 1 A 28 28 VAL H H 537 8.452 8.452 0.000 1
1 267 . 14 1 1 A 28 28 VAL HA H 537 3.691 3.808 -0.117 1
1 275 . 14 1 1 A 28 28 VAL C C 537 178.392 178.093 0.299 1
1 276 . 14 1 1 A 28 28 VAL CA C 537 66.670 65.500 1.170 1
1 277 . 14 1 1 A 28 28 VAL CB C 537 31.795 31.631 0.164 1
1 280 . 14 1 1 A 28 28 VAL N N 537 120.076 118.775 1.301 1
1 281 . 14 1 1 A 29 29 THR H H 538 8.165 8.076 0.089 1
1 282 . 14 1 1 A 29 29 THR HA H 538 3.985 3.944 0.041 1
1 287 . 14 1 1 A 29 29 THR C C 538 177.201 176.623 0.578 1
1 288 . 14 1 1 A 29 29 THR CA C 538 66.936 66.809 0.127 1
1 289 . 14 1 1 A 29 29 THR CB C 538 68.772 68.197 0.575 1
1 291 . 14 1 1 A 29 29 THR N N 538 117.307 116.773 0.534 1
1 292 . 14 1 1 A 30 30 LEU H H 539 8.145 8.230 -0.085 1
1 293 . 14 1 1 A 30 30 LEU HA H 539 4.181 3.988 0.193 1
1 303 . 14 1 1 A 30 30 LEU C C 539 178.786 178.781 0.005 1
1 304 . 14 1 1 A 30 30 LEU CA C 539 58.312 58.138 0.174 1
1 305 . 14 1 1 A 30 30 LEU CB C 539 42.965 41.598 1.367 1
1 308 . 14 1 1 A 30 30 LEU N N 539 122.885 121.400 1.485 1
1 309 . 14 1 1 A 31 31 GLN H H 540 8.739 8.617 0.122 1
1 310 . 14 1 1 A 31 31 GLN HA H 540 3.976 4.146 -0.170 1
1 315 . 14 1 1 A 31 31 GLN C C 540 179.052 178.668 0.384 1
1 316 . 14 1 1 A 31 31 GLN CA C 540 59.485 59.275 0.210 1
1 317 . 14 1 1 A 31 31 GLN CB C 540 28.488 27.882 0.606 1
1 319 . 14 1 1 A 31 31 GLN N N 540 119.660 117.915 1.745 1
1 320 . 14 1 1 A 32 32 ASN H H 541 8.467 8.569 -0.102 1
1 321 . 14 1 1 A 32 32 ASN HA H 541 4.532 4.450 0.082 1
1 324 . 14 1 1 A 32 32 ASN C C 541 178.095 177.618 0.477 1
1 325 . 14 1 1 A 32 32 ASN CA C 541 56.010 56.549 -0.539 1
1 326 . 14 1 1 A 32 32 ASN CB C 541 37.881 38.830 -0.949 1
1 327 . 14 1 1 A 32 32 ASN N N 541 118.499 117.540 0.959 1
1 328 . 14 1 1 A 33 33 GLN H H 542 8.158 8.012 0.146 1
1 329 . 14 1 1 A 33 33 GLN HA H 542 4.029 4.062 -0.033 1
1 333 . 14 1 1 A 33 33 GLN C C 542 178.763 178.951 -0.188 1
1 334 . 14 1 1 A 33 33 GLN CA C 542 58.964 58.736 0.228 1
1 335 . 14 1 1 A 33 33 GLN CB C 542 28.949 28.338 0.611 1
1 337 . 14 1 1 A 33 33 GLN N N 542 121.150 118.053 3.097 1
1 338 . 14 1 1 A 34 34 LEU H H 543 8.606 8.578 0.028 1
1 339 . 14 1 1 A 34 34 LEU HA H 543 4.140 4.255 -0.115 1
1 349 . 14 1 1 A 34 34 LEU C C 543 178.395 178.435 -0.040 1
1 350 . 14 1 1 A 34 34 LEU CA C 543 58.323 57.668 0.655 1
1 351 . 14 1 1 A 34 34 LEU CB C 543 41.979 41.609 0.370 1
1 355 . 14 1 1 A 34 34 LEU N N 543 120.557 121.703 -1.146 1
1 356 . 14 1 1 A 35 35 GLN H H 544 8.170 8.887 -0.717 1
1 357 . 14 1 1 A 35 35 GLN HA H 544 3.969 3.956 0.013 1
1 361 . 14 1 1 A 35 35 GLN C C 544 178.194 178.433 -0.239 1
1 362 . 14 1 1 A 35 35 GLN CA C 544 59.060 59.563 -0.503 1
1 363 . 14 1 1 A 35 35 GLN CB C 544 28.046 28.272 -0.226 1
1 365 . 14 1 1 A 35 35 GLN N N 544 117.978 118.913 -0.935 1
1 366 . 14 1 1 A 36 36 GLN H H 545 7.786 7.768 0.018 1
1 367 . 14 1 1 A 36 36 GLN HA H 545 4.024 4.123 -0.099 1
1 371 . 14 1 1 A 36 36 GLN C C 545 178.864 178.518 0.346 1
1 372 . 14 1 1 A 36 36 GLN CA C 545 58.857 58.790 0.067 1
1 373 . 14 1 1 A 36 36 GLN CB C 545 28.112 28.222 -0.110 1
1 375 . 14 1 1 A 36 36 GLN N N 545 116.904 118.991 -2.087 1
1 376 . 14 1 1 A 37 37 PHE H H 546 7.734 8.414 -0.680 1
1 377 . 14 1 1 A 37 37 PHE HA H 546 4.233 4.228 0.005 1
1 382 . 14 1 1 A 37 37 PHE C C 546 178.078 177.580 0.498 1
1 383 . 14 1 1 A 37 37 PHE CA C 546 60.681 61.127 -0.446 1
1 384 . 14 1 1 A 37 37 PHE CB C 546 38.124 39.403 -1.279 1
1 385 . 14 1 1 A 37 37 PHE N N 546 119.594 121.542 -1.948 1
1 386 . 14 1 1 A 38 38 LEU H H 547 8.240 8.635 -0.395 1
1 387 . 14 1 1 A 38 38 LEU HA H 547 4.037 3.497 0.540 1
1 394 . 14 1 1 A 38 38 LEU C C 547 180.193 178.726 1.467 1
1 395 . 14 1 1 A 38 38 LEU CA C 547 57.303 58.199 -0.896 1
1 396 . 14 1 1 A 38 38 LEU CB C 547 41.519 41.291 0.228 1
1 398 . 14 1 1 A 38 38 LEU N N 547 119.925 118.909 1.016 1
1 399 . 14 1 1 A 39 39 GLU H H 548 8.273 8.336 -0.063 1
1 400 . 14 1 1 A 39 39 GLU HA H 548 4.083 3.969 0.114 1
1 403 . 14 1 1 A 39 39 GLU C C 548 178.417 179.343 -0.926 1
1 404 . 14 1 1 A 39 39 GLU CA C 548 58.494 59.548 -1.054 1
1 405 . 14 1 1 A 39 39 GLU CB C 548 29.238 28.921 0.317 1
1 407 . 14 1 1 A 39 39 GLU N N 548 119.463 119.337 0.126 1
1 408 . 14 1 1 A 40 40 ALA H H 549 7.714 8.314 -0.600 1
1 409 . 14 1 1 A 40 40 ALA HA H 549 4.244 3.989 0.255 1
1 413 . 14 1 1 A 40 40 ALA C C 549 179.123 179.942 -0.819 1
1 414 . 14 1 1 A 40 40 ALA CA C 549 53.829 55.055 -1.226 1
1 415 . 14 1 1 A 40 40 ALA CB C 549 18.330 18.073 0.257 1
1 416 . 14 1 1 A 40 40 ALA N N 549 122.046 122.214 -0.168 1
1 417 . 14 1 1 A 41 41 GLN H H 550 7.825 7.925 -0.100 1
1 418 . 14 1 1 A 41 41 GLN HA H 550 4.207 3.908 0.299 1
1 423 . 14 1 1 A 41 41 GLN C C 550 177.115 178.665 -1.550 1
1 424 . 14 1 1 A 41 41 GLN CA C 550 56.917 58.785 -1.868 1
1 425 . 14 1 1 A 41 41 GLN CB C 550 28.948 28.274 0.674 1
1 427 . 14 1 1 A 41 41 GLN N N 550 117.391 117.822 -0.431 1
1 428 . 14 1 1 A 42 42 LYS H H 551 7.905 7.538 0.367 1
1 429 . 14 1 1 A 42 42 LYS HA H 551 4.293 4.011 0.282 1
1 435 . 14 1 1 A 42 42 LYS C C 551 177.498 179.173 -1.675 1
1 436 . 14 1 1 A 42 42 LYS CA C 551 57.298 59.258 -1.960 1
1 437 . 14 1 1 A 42 42 LYS CB C 551 32.903 32.328 0.575 1
1 441 . 14 1 1 A 42 42 LYS N N 551 120.398 119.941 0.457 1
1 442 . 14 1 1 A 43 43 SER H H 552 8.144 8.229 -0.085 1
1 443 . 14 1 1 A 43 43 SER HA H 552 4.438 4.049 0.389 1
1 445 . 14 1 1 A 43 43 SER C C 552 174.871 177.142 -2.271 1
1 446 . 14 1 1 A 43 43 SER CA C 552 58.932 61.800 -2.868 1
1 447 . 14 1 1 A 43 43 SER CB C 552 63.785 62.841 0.944 1
1 448 . 14 1 1 A 43 43 SER N N 552 115.839 117.216 -1.377 1
1 449 . 14 1 1 A 44 44 GLU H H 553 8.267 8.927 -0.660 1
1 450 . 14 1 1 A 44 44 GLU HA H 553 4.300 4.022 0.278 1
1 454 . 14 1 1 A 44 44 GLU C C 553 177.103 179.975 -2.872 1
1 455 . 14 1 1 A 44 44 GLU CA C 553 56.940 59.258 -2.318 1
1 456 . 14 1 1 A 44 44 GLU CB C 553 29.992 28.923 1.069 1
1 458 . 14 1 1 A 44 44 GLU N N 553 122.271 121.383 0.888 1
1 459 . 14 1 1 A 45 45 GLY H H 554 8.384 8.213 0.171 1
1 460 . 14 1 1 A 45 45 GLY HA2 H 554 3.963 3.619 0.344 1
1 461 . 14 1 1 A 45 45 GLY HA3 H 554 3.963 3.626 0.337 1
1 462 . 14 1 1 A 45 45 GLY C C 554 174.201 175.941 -1.740 1
1 463 . 14 1 1 A 45 45 GLY CA C 554 45.474 46.504 -1.030 1
1 464 . 14 1 1 A 45 45 GLY N N 554 109.533 109.299 0.234 1
1 465 . 14 1 1 A 46 46 LYS H H 555 8.064 8.889 -0.825 1
1 466 . 14 1 1 A 46 46 LYS HA H 555 4.417 4.186 0.231 1
1 472 . 14 1 1 A 46 46 LYS C C 555 176.485 176.633 -0.148 1
1 473 . 14 1 1 A 46 46 LYS CA C 555 56.017 58.326 -2.309 1
1 474 . 14 1 1 A 46 46 LYS CB C 555 33.281 31.818 1.463 1
1 477 . 14 1 1 A 46 46 LYS N N 555 120.660 119.388 1.272 1
1 478 . 14 1 1 A 47 47 SER H H 556 8.391 7.422 0.969 1
1 479 . 14 1 1 A 47 47 SER HA H 556 4.562 4.459 0.103 1
1 482 . 14 1 1 A 47 47 SER C C 556 173.556 173.538 0.018 1
1 483 . 14 1 1 A 47 47 SER CA C 556 58.444 57.739 0.705 1
1 484 . 14 1 1 A 47 47 SER CB C 556 64.149 62.111 2.038 1
1 485 . 14 1 1 A 47 47 SER N N 556 117.900 116.278 1.622 1
1 1 . 15 1 1 A 3 3 VAL H H 512 8.411 7.929 0.482 1
1 2 . 15 1 1 A 3 3 VAL HA H 512 4.140 3.833 0.307 1
1 7 . 15 1 1 A 3 3 VAL C C 512 176.681 177.535 -0.854 1
1 8 . 15 1 1 A 3 3 VAL CA C 512 63.248 65.478 -2.230 1
1 9 . 15 1 1 A 3 3 VAL CB C 512 32.219 31.822 0.397 1
1 11 . 15 1 1 A 3 3 VAL N N 512 121.730 117.282 4.448 1
1 12 . 15 1 1 A 4 4 GLU H H 513 8.552 8.401 0.151 1
1 13 . 15 1 1 A 4 4 GLU HA H 513 4.304 3.951 0.353 1
1 16 . 15 1 1 A 4 4 GLU C C 513 177.624 178.942 -1.318 1
1 17 . 15 1 1 A 4 4 GLU CA C 513 57.945 59.545 -1.600 1
1 18 . 15 1 1 A 4 4 GLU CB C 513 29.784 29.316 0.468 1
1 19 . 15 1 1 A 4 4 GLU N N 513 123.626 120.817 2.809 1
1 20 . 15 1 1 A 5 5 THR H H 514 8.341 8.093 0.248 1
1 21 . 15 1 1 A 5 5 THR HA H 514 4.364 4.055 0.309 1
1 26 . 15 1 1 A 5 5 THR C C 514 175.493 176.568 -1.075 1
1 27 . 15 1 1 A 5 5 THR CA C 514 62.824 65.079 -2.255 1
1 28 . 15 1 1 A 5 5 THR CB C 514 70.032 68.147 1.885 1
1 29 . 15 1 1 A 5 5 THR N N 514 114.159 114.117 0.042 1
1 30 . 15 1 1 A 6 6 CYS H H 515 8.739 8.245 0.494 1
1 31 . 15 1 1 A 6 6 CYS HA H 515 4.692 4.154 0.538 1
1 34 . 15 1 1 A 6 6 CYS C C 515 178.959 177.203 1.756 1
1 35 . 15 1 1 A 6 6 CYS CA C 515 57.420 61.787 -4.367 1
1 36 . 15 1 1 A 6 6 CYS CB C 515 42.167 27.386 14.781 1
1 37 . 15 1 1 A 6 6 CYS N N 515 119.497 119.885 -0.388 1
1 38 . 15 1 1 A 7 7 MET H H 516 8.380 8.326 0.054 1
1 39 . 15 1 1 A 7 7 MET HA H 516 4.250 4.207 0.043 1
1 44 . 15 1 1 A 7 7 MET C C 516 176.520 178.159 -1.639 1
1 45 . 15 1 1 A 7 7 MET CA C 516 58.813 58.077 0.736 1
1 46 . 15 1 1 A 7 7 MET CB C 516 32.214 31.762 0.452 1
1 47 . 15 1 1 A 7 7 MET N N 516 120.287 121.056 -0.769 1
1 48 . 15 1 1 A 8 8 SER H H 517 8.409 8.104 0.305 1
1 49 . 15 1 1 A 8 8 SER HA H 517 4.339 4.278 0.061 1
1 51 . 15 1 1 A 8 8 SER C C 517 177.818 176.660 1.158 1
1 52 . 15 1 1 A 8 8 SER CA C 517 61.119 61.163 -0.044 1
1 53 . 15 1 1 A 8 8 SER CB C 517 62.384 62.928 -0.544 1
1 54 . 15 1 1 A 8 8 SER N N 517 116.219 114.298 1.921 1
1 55 . 15 1 1 A 9 9 LEU H H 518 8.017 7.565 0.452 1
1 56 . 15 1 1 A 9 9 LEU HA H 518 4.144 4.033 0.111 1
1 66 . 15 1 1 A 9 9 LEU C C 518 178.577 179.189 -0.612 1
1 67 . 15 1 1 A 9 9 LEU CA C 518 57.927 57.945 -0.018 1
1 68 . 15 1 1 A 9 9 LEU CB C 518 42.987 41.350 1.637 1
1 70 . 15 1 1 A 9 9 LEU N N 518 122.883 119.950 2.933 1
1 71 . 15 1 1 A 10 10 ALA H H 519 8.085 8.249 -0.164 1
1 72 . 15 1 1 A 10 10 ALA HA H 519 4.044 4.057 -0.013 1
1 76 . 15 1 1 A 10 10 ALA C C 519 180.731 179.681 1.050 1
1 77 . 15 1 1 A 10 10 ALA CA C 519 55.810 55.307 0.503 1
1 78 . 15 1 1 A 10 10 ALA CB C 519 17.616 17.703 -0.087 1
1 79 . 15 1 1 A 10 10 ALA N N 519 121.112 122.164 -1.052 1
1 80 . 15 1 1 A 11 11 SER H H 520 7.998 8.221 -0.223 1
1 81 . 15 1 1 A 11 11 SER HA H 520 4.283 4.168 0.115 1
1 83 . 15 1 1 A 11 11 SER C C 520 177.283 176.568 0.715 1
1 84 . 15 1 1 A 11 11 SER CA C 520 61.279 61.486 -0.207 1
1 85 . 15 1 1 A 11 11 SER CB C 520 62.764 62.454 0.310 1
1 86 . 15 1 1 A 11 11 SER N N 520 113.163 113.080 0.083 1
1 87 . 15 1 1 A 12 12 GLN H H 521 8.082 7.943 0.139 1
1 88 . 15 1 1 A 12 12 GLN HA H 521 4.163 3.979 0.184 1
1 93 . 15 1 1 A 12 12 GLN C C 521 178.439 178.391 0.048 1
1 94 . 15 1 1 A 12 12 GLN CA C 521 59.321 58.627 0.694 1
1 95 . 15 1 1 A 12 12 GLN CB C 521 28.932 28.498 0.434 1
1 97 . 15 1 1 A 12 12 GLN N N 521 123.452 121.241 2.211 1
1 98 . 15 1 1 A 13 13 VAL H H 522 8.289 8.047 0.242 1
1 99 . 15 1 1 A 13 13 VAL HA H 522 3.489 3.675 -0.186 1
1 107 . 15 1 1 A 13 13 VAL C C 522 179.392 178.293 1.099 1
1 108 . 15 1 1 A 13 13 VAL CA C 522 67.895 66.245 1.650 1
1 109 . 15 1 1 A 13 13 VAL CB C 522 31.597 31.584 0.013 1
1 112 . 15 1 1 A 13 13 VAL N N 522 119.508 119.846 -0.338 1
1 113 . 15 1 1 A 14 14 VAL H H 523 7.651 8.140 -0.489 1
1 114 . 15 1 1 A 14 14 VAL HA H 523 3.674 3.552 0.122 1
1 122 . 15 1 1 A 14 14 VAL C C 523 178.592 178.212 0.380 1
1 123 . 15 1 1 A 14 14 VAL CA C 523 67.190 66.602 0.588 1
1 124 . 15 1 1 A 14 14 VAL CB C 523 31.892 31.426 0.466 1
1 126 . 15 1 1 A 14 14 VAL N N 523 122.425 120.465 1.960 1
1 127 . 15 1 1 A 15 15 LYS H H 524 7.919 7.854 0.065 1
1 128 . 15 1 1 A 15 15 LYS HA H 524 4.066 3.972 0.094 1
1 134 . 15 1 1 A 15 15 LYS C C 524 179.521 179.667 -0.146 1
1 135 . 15 1 1 A 15 15 LYS CA C 524 60.001 60.013 -0.012 1
1 136 . 15 1 1 A 15 15 LYS CB C 524 32.693 32.237 0.456 1
1 139 . 15 1 1 A 15 15 LYS N N 524 120.960 119.283 1.677 1
1 140 . 15 1 1 A 16 16 LEU H H 525 8.939 8.418 0.521 1
1 141 . 15 1 1 A 16 16 LEU HA H 525 4.164 3.990 0.174 1
1 148 . 15 1 1 A 16 16 LEU C C 525 179.118 179.274 -0.156 1
1 149 . 15 1 1 A 16 16 LEU CA C 525 58.071 57.777 0.294 1
1 150 . 15 1 1 A 16 16 LEU CB C 525 43.853 41.927 1.926 1
1 153 . 15 1 1 A 16 16 LEU N N 525 119.646 120.101 -0.455 1
1 154 . 15 1 1 A 17 17 THR H H 526 8.311 8.362 -0.051 1
1 155 . 15 1 1 A 17 17 THR HA H 526 3.822 3.977 -0.155 1
1 160 . 15 1 1 A 17 17 THR C C 526 176.638 176.099 0.539 1
1 161 . 15 1 1 A 17 17 THR CA C 526 67.923 66.855 1.068 1
1 162 . 15 1 1 A 17 17 THR CB C 526 68.655 68.206 0.449 1
1 164 . 15 1 1 A 17 17 THR N N 526 115.841 116.698 -0.857 1
1 165 . 15 1 1 A 18 18 LYS H H 527 7.717 8.120 -0.403 1
1 166 . 15 1 1 A 18 18 LYS HA H 527 4.112 3.940 0.172 1
1 173 . 15 1 1 A 18 18 LYS CA C 527 59.922 59.515 0.407 1
1 174 . 15 1 1 A 18 18 LYS CB C 527 32.354 32.146 0.208 1
1 176 . 15 1 1 A 18 18 LYS N N 527 123.034 120.404 2.630 1
1 177 . 15 1 1 A 19 19 GLN H H 528 8.319 7.975 0.344 1
1 178 . 15 1 1 A 19 19 GLN HA H 528 4.149 4.035 0.114 1
1 181 . 15 1 1 A 19 19 GLN C C 528 179.236 179.130 0.106 1
1 182 . 15 1 1 A 19 19 GLN CA C 528 59.397 58.706 0.691 1
1 183 . 15 1 1 A 19 19 GLN CB C 528 29.175 28.084 1.091 1
1 184 . 15 1 1 A 19 19 GLN N N 528 119.343 118.019 1.324 1
1 185 . 15 1 1 A 20 20 LEU H H 529 8.869 8.566 0.303 1
1 186 . 15 1 1 A 20 20 LEU HA H 529 4.102 4.000 0.102 1
1 192 . 15 1 1 A 20 20 LEU C C 529 179.709 178.713 0.996 1
1 193 . 15 1 1 A 20 20 LEU CA C 529 58.277 57.960 0.317 1
1 194 . 15 1 1 A 20 20 LEU CB C 529 41.808 41.309 0.499 1
1 195 . 15 1 1 A 20 20 LEU N N 529 121.333 120.260 1.073 1
1 196 . 15 1 1 A 21 21 LYS H H 530 8.126 8.327 -0.201 1
1 197 . 15 1 1 A 21 21 LYS HA H 530 4.097 3.812 0.285 1
1 199 . 15 1 1 A 21 21 LYS C C 530 178.925 178.705 0.220 1
1 200 . 15 1 1 A 21 21 LYS CA C 530 60.168 60.017 0.151 1
1 201 . 15 1 1 A 21 21 LYS CB C 530 31.957 32.285 -0.328 1
1 202 . 15 1 1 A 21 21 LYS N N 530 122.900 120.229 2.671 1
1 203 . 15 1 1 A 22 22 GLU H H 531 8.138 8.356 -0.218 1
1 204 . 15 1 1 A 22 22 GLU HA H 531 4.064 4.085 -0.021 1
1 208 . 15 1 1 A 22 22 GLU C C 531 179.710 179.514 0.196 1
1 209 . 15 1 1 A 22 22 GLU CA C 531 59.532 59.056 0.476 1
1 210 . 15 1 1 A 22 22 GLU CB C 531 29.446 29.324 0.122 1
1 212 . 15 1 1 A 22 22 GLU N N 531 118.589 118.404 0.185 1
1 213 . 15 1 1 A 23 23 GLN H H 532 8.457 8.130 0.327 1
1 214 . 15 1 1 A 23 23 GLN HA H 532 4.139 4.070 0.069 1
1 216 . 15 1 1 A 23 23 GLN C C 532 178.498 178.576 -0.078 1
1 217 . 15 1 1 A 23 23 GLN CA C 532 58.563 58.588 -0.025 1
1 218 . 15 1 1 A 23 23 GLN CB C 532 28.911 28.097 0.814 1
1 219 . 15 1 1 A 23 23 GLN N N 532 118.059 120.145 -2.086 1
1 220 . 15 1 1 A 24 24 THR H H 533 8.325 8.157 0.168 1
1 221 . 15 1 1 A 24 24 THR HA H 533 4.106 4.036 0.070 1
1 226 . 15 1 1 A 24 24 THR C C 533 175.780 176.323 -0.543 1
1 227 . 15 1 1 A 24 24 THR CA C 533 67.023 66.956 0.067 1
1 229 . 15 1 1 A 24 24 THR N N 533 117.397 117.410 -0.013 1
1 230 . 15 1 1 A 25 25 VAL H H 534 7.935 8.020 -0.085 1
1 231 . 15 1 1 A 25 25 VAL HA H 534 3.696 3.723 -0.027 1
1 239 . 15 1 1 A 25 25 VAL C C 534 179.333 177.848 1.485 1
1 240 . 15 1 1 A 25 25 VAL CA C 534 66.691 65.957 0.734 1
1 243 . 15 1 1 A 25 25 VAL N N 534 121.196 117.871 3.325 1
1 244 . 15 1 1 A 26 26 GLU H H 535 7.814 8.315 -0.501 1
1 245 . 15 1 1 A 26 26 GLU HA H 535 4.113 4.030 0.083 1
1 249 . 15 1 1 A 26 26 GLU C C 535 178.221 178.859 -0.638 1
1 250 . 15 1 1 A 26 26 GLU CA C 535 59.597 58.982 0.615 1
1 251 . 15 1 1 A 26 26 GLU CB C 535 29.298 29.035 0.263 1
1 253 . 15 1 1 A 26 26 GLU N N 535 120.430 121.047 -0.617 1
1 254 . 15 1 1 A 27 27 ARG H H 536 8.367 7.788 0.579 1
1 255 . 15 1 1 A 27 27 ARG HA H 536 3.906 4.134 -0.228 1
1 260 . 15 1 1 A 27 27 ARG C C 536 178.119 178.333 -0.214 1
1 261 . 15 1 1 A 27 27 ARG CA C 536 60.845 58.750 2.095 1
1 262 . 15 1 1 A 27 27 ARG CB C 536 27.361 29.851 -2.490 1
1 265 . 15 1 1 A 27 27 ARG N N 536 120.564 120.177 0.387 1
1 266 . 15 1 1 A 28 28 VAL H H 537 8.452 8.332 0.120 1
1 267 . 15 1 1 A 28 28 VAL HA H 537 3.691 3.810 -0.119 1
1 275 . 15 1 1 A 28 28 VAL C C 537 178.392 178.307 0.085 1
1 276 . 15 1 1 A 28 28 VAL CA C 537 66.670 65.477 1.193 1
1 277 . 15 1 1 A 28 28 VAL CB C 537 31.795 31.589 0.206 1
1 280 . 15 1 1 A 28 28 VAL N N 537 120.076 118.806 1.270 1
1 281 . 15 1 1 A 29 29 THR H H 538 8.165 7.944 0.221 1
1 282 . 15 1 1 A 29 29 THR HA H 538 3.985 3.971 0.014 1
1 287 . 15 1 1 A 29 29 THR C C 538 177.201 176.591 0.610 1
1 288 . 15 1 1 A 29 29 THR CA C 538 66.936 66.915 0.021 1
1 289 . 15 1 1 A 29 29 THR CB C 538 68.772 67.793 0.979 1
1 291 . 15 1 1 A 29 29 THR N N 538 117.307 116.899 0.408 1
1 292 . 15 1 1 A 30 30 LEU H H 539 8.145 8.577 -0.432 1
1 293 . 15 1 1 A 30 30 LEU HA H 539 4.181 3.996 0.185 1
1 303 . 15 1 1 A 30 30 LEU C C 539 178.786 178.878 -0.092 1
1 304 . 15 1 1 A 30 30 LEU CA C 539 58.312 58.097 0.215 1
1 305 . 15 1 1 A 30 30 LEU CB C 539 42.965 41.630 1.335 1
1 308 . 15 1 1 A 30 30 LEU N N 539 122.885 121.616 1.269 1
1 309 . 15 1 1 A 31 31 GLN H H 540 8.739 8.837 -0.098 1
1 310 . 15 1 1 A 31 31 GLN HA H 540 3.976 4.145 -0.169 1
1 315 . 15 1 1 A 31 31 GLN C C 540 179.052 178.592 0.460 1
1 316 . 15 1 1 A 31 31 GLN CA C 540 59.485 59.275 0.210 1
1 317 . 15 1 1 A 31 31 GLN CB C 540 28.488 27.860 0.628 1
1 319 . 15 1 1 A 31 31 GLN N N 540 119.660 117.881 1.779 1
1 320 . 15 1 1 A 32 32 ASN H H 541 8.467 8.409 0.058 1
1 321 . 15 1 1 A 32 32 ASN HA H 541 4.532 4.441 0.091 1
1 324 . 15 1 1 A 32 32 ASN C C 541 178.095 177.627 0.468 1
1 325 . 15 1 1 A 32 32 ASN CA C 541 56.010 56.592 -0.582 1
1 326 . 15 1 1 A 32 32 ASN CB C 541 37.881 38.960 -1.079 1
1 327 . 15 1 1 A 32 32 ASN N N 541 118.499 117.590 0.909 1
1 328 . 15 1 1 A 33 33 GLN H H 542 8.158 7.914 0.244 1
1 329 . 15 1 1 A 33 33 GLN HA H 542 4.029 4.065 -0.036 1
1 333 . 15 1 1 A 33 33 GLN C C 542 178.763 178.988 -0.225 1
1 334 . 15 1 1 A 33 33 GLN CA C 542 58.964 58.760 0.204 1
1 335 . 15 1 1 A 33 33 GLN CB C 542 28.949 28.334 0.615 1
1 337 . 15 1 1 A 33 33 GLN N N 542 121.150 118.129 3.021 1
1 338 . 15 1 1 A 34 34 LEU H H 543 8.606 8.692 -0.086 1
1 339 . 15 1 1 A 34 34 LEU HA H 543 4.140 4.282 -0.142 1
1 349 . 15 1 1 A 34 34 LEU C C 543 178.395 178.464 -0.069 1
1 350 . 15 1 1 A 34 34 LEU CA C 543 58.323 57.691 0.632 1
1 351 . 15 1 1 A 34 34 LEU CB C 543 41.979 41.570 0.409 1
1 355 . 15 1 1 A 34 34 LEU N N 543 120.557 121.594 -1.037 1
1 356 . 15 1 1 A 35 35 GLN H H 544 8.170 8.869 -0.699 1
1 357 . 15 1 1 A 35 35 GLN HA H 544 3.969 3.947 0.022 1
1 361 . 15 1 1 A 35 35 GLN C C 544 178.194 178.515 -0.321 1
1 362 . 15 1 1 A 35 35 GLN CA C 544 59.060 59.554 -0.494 1
1 363 . 15 1 1 A 35 35 GLN CB C 544 28.046 28.217 -0.171 1
1 365 . 15 1 1 A 35 35 GLN N N 544 117.978 118.930 -0.952 1
1 366 . 15 1 1 A 36 36 GLN H H 545 7.786 8.009 -0.223 1
1 367 . 15 1 1 A 36 36 GLN HA H 545 4.024 4.078 -0.054 1
1 371 . 15 1 1 A 36 36 GLN C C 545 178.864 178.367 0.497 1
1 372 . 15 1 1 A 36 36 GLN CA C 545 58.857 58.931 -0.074 1
1 373 . 15 1 1 A 36 36 GLN CB C 545 28.112 28.369 -0.257 1
1 375 . 15 1 1 A 36 36 GLN N N 545 116.904 118.459 -1.555 1
1 376 . 15 1 1 A 37 37 PHE H H 546 7.734 8.396 -0.662 1
1 377 . 15 1 1 A 37 37 PHE HA H 546 4.233 4.199 0.034 1
1 382 . 15 1 1 A 37 37 PHE C C 546 178.078 177.573 0.505 1
1 383 . 15 1 1 A 37 37 PHE CA C 546 60.681 61.187 -0.506 1
1 384 . 15 1 1 A 37 37 PHE CB C 546 38.124 39.354 -1.230 1
1 385 . 15 1 1 A 37 37 PHE N N 546 119.594 122.701 -3.107 1
1 386 . 15 1 1 A 38 38 LEU H H 547 8.240 8.617 -0.377 1
1 387 . 15 1 1 A 38 38 LEU HA H 547 4.037 3.476 0.561 1
1 394 . 15 1 1 A 38 38 LEU C C 547 180.193 178.635 1.558 1
1 395 . 15 1 1 A 38 38 LEU CA C 547 57.303 58.205 -0.902 1
1 396 . 15 1 1 A 38 38 LEU CB C 547 41.519 41.286 0.233 1
1 398 . 15 1 1 A 38 38 LEU N N 547 119.925 118.881 1.044 1
1 399 . 15 1 1 A 39 39 GLU H H 548 8.273 8.394 -0.121 1
1 400 . 15 1 1 A 39 39 GLU HA H 548 4.083 3.956 0.127 1
1 403 . 15 1 1 A 39 39 GLU C C 548 178.417 179.218 -0.801 1
1 404 . 15 1 1 A 39 39 GLU CA C 548 58.494 59.567 -1.073 1
1 405 . 15 1 1 A 39 39 GLU CB C 548 29.238 29.207 0.031 1
1 407 . 15 1 1 A 39 39 GLU N N 548 119.463 119.303 0.160 1
1 408 . 15 1 1 A 40 40 ALA H H 549 7.714 8.315 -0.601 1
1 409 . 15 1 1 A 40 40 ALA HA H 549 4.244 3.945 0.299 1
1 413 . 15 1 1 A 40 40 ALA C C 549 179.123 180.243 -1.120 1
1 414 . 15 1 1 A 40 40 ALA CA C 549 53.829 55.459 -1.630 1
1 415 . 15 1 1 A 40 40 ALA CB C 549 18.330 18.157 0.173 1
1 416 . 15 1 1 A 40 40 ALA N N 549 122.046 122.495 -0.449 1
1 417 . 15 1 1 A 41 41 GLN H H 550 7.825 7.944 -0.119 1
1 418 . 15 1 1 A 41 41 GLN HA H 550 4.207 3.924 0.283 1
1 423 . 15 1 1 A 41 41 GLN C C 550 177.115 178.105 -0.990 1
1 424 . 15 1 1 A 41 41 GLN CA C 550 56.917 58.789 -1.872 1
1 425 . 15 1 1 A 41 41 GLN CB C 550 28.948 28.301 0.647 1
1 427 . 15 1 1 A 41 41 GLN N N 550 117.391 117.128 0.263 1
1 428 . 15 1 1 A 42 42 LYS H H 551 7.905 7.929 -0.024 1
1 429 . 15 1 1 A 42 42 LYS HA H 551 4.293 3.988 0.305 1
1 435 . 15 1 1 A 42 42 LYS C C 551 177.498 179.198 -1.700 1
1 436 . 15 1 1 A 42 42 LYS CA C 551 57.298 59.071 -1.773 1
1 437 . 15 1 1 A 42 42 LYS CB C 551 32.903 32.199 0.704 1
1 441 . 15 1 1 A 42 42 LYS N N 551 120.398 120.356 0.042 1
1 442 . 15 1 1 A 43 43 SER H H 552 8.144 8.429 -0.285 1
1 443 . 15 1 1 A 43 43 SER HA H 552 4.438 4.156 0.282 1
1 445 . 15 1 1 A 43 43 SER C C 552 174.871 176.296 -1.425 1
1 446 . 15 1 1 A 43 43 SER CA C 552 58.932 62.090 -3.158 1
1 447 . 15 1 1 A 43 43 SER CB C 552 63.785 63.225 0.560 1
1 448 . 15 1 1 A 43 43 SER N N 552 115.839 116.027 -0.188 1
1 449 . 15 1 1 A 44 44 GLU H H 553 8.267 8.454 -0.187 1
1 450 . 15 1 1 A 44 44 GLU HA H 553 4.300 4.020 0.280 1
1 454 . 15 1 1 A 44 44 GLU C C 553 177.103 179.772 -2.669 1
1 455 . 15 1 1 A 44 44 GLU CA C 553 56.940 59.394 -2.454 1
1 456 . 15 1 1 A 44 44 GLU CB C 553 29.992 29.416 0.576 1
1 458 . 15 1 1 A 44 44 GLU N N 553 122.271 121.639 0.632 1
1 459 . 15 1 1 A 45 45 GLY H H 554 8.384 8.173 0.211 1
1 460 . 15 1 1 A 45 45 GLY HA2 H 554 3.963 3.644 0.319 1
1 461 . 15 1 1 A 45 45 GLY HA3 H 554 3.963 3.650 0.313 1
1 462 . 15 1 1 A 45 45 GLY C C 554 174.201 175.539 -1.338 1
1 463 . 15 1 1 A 45 45 GLY CA C 554 45.474 46.992 -1.518 1
1 464 . 15 1 1 A 45 45 GLY N N 554 109.533 108.383 1.150 1
1 465 . 15 1 1 A 46 46 LYS H H 555 8.064 8.556 -0.492 1
1 466 . 15 1 1 A 46 46 LYS HA H 555 4.417 4.103 0.314 1
1 472 . 15 1 1 A 46 46 LYS C C 555 176.485 178.602 -2.117 1
1 473 . 15 1 1 A 46 46 LYS CA C 555 56.017 58.542 -2.525 1
1 474 . 15 1 1 A 46 46 LYS CB C 555 33.281 31.937 1.344 1
1 477 . 15 1 1 A 46 46 LYS N N 555 120.660 122.435 -1.775 1
1 478 . 15 1 1 A 47 47 SER H H 556 8.391 7.774 0.617 1
1 479 . 15 1 1 A 47 47 SER HA H 556 4.562 4.370 0.192 1
1 482 . 15 1 1 A 47 47 SER C C 556 173.556 175.131 -1.575 1
1 483 . 15 1 1 A 47 47 SER CA C 556 58.444 61.240 -2.796 1
1 484 . 15 1 1 A 47 47 SER CB C 556 64.149 63.268 0.881 1
1 485 . 15 1 1 A 47 47 SER N N 556 117.900 114.124 3.776 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 44 0.971 1
2 1 1 1 "RMS(OBS, PRED)" CA 45 1.465 1
3 1 1 1 "RMS(OBS, PRED)" CB 42 2.502 1
4 1 1 1 "RMS(OBS, PRED)" H 45 0.470 1
5 1 1 1 "RMS(OBS, PRED)" HA 46 0.213 1
6 1 1 1 "RMS(OBS, PRED)" N 45 1.849 1
7 1 2 1 "RMS(OBS, PRED)" C 44 1.014 1
8 1 2 1 "RMS(OBS, PRED)" CA 45 1.412 1
9 1 2 1 "RMS(OBS, PRED)" CB 42 2.533 1
10 1 2 1 "RMS(OBS, PRED)" H 45 0.359 1
11 1 2 1 "RMS(OBS, PRED)" HA 46 0.205 1
12 1 2 1 "RMS(OBS, PRED)" N 45 1.756 1
13 1 3 1 "RMS(OBS, PRED)" C 44 1.080 1
14 1 3 1 "RMS(OBS, PRED)" CA 45 1.516 1
15 1 3 1 "RMS(OBS, PRED)" CB 42 2.583 1
16 1 3 1 "RMS(OBS, PRED)" H 45 0.409 1
17 1 3 1 "RMS(OBS, PRED)" HA 46 0.210 1
18 1 3 1 "RMS(OBS, PRED)" N 45 1.816 1
19 1 4 1 "RMS(OBS, PRED)" C 44 1.018 1
20 1 4 1 "RMS(OBS, PRED)" CA 45 1.360 1
21 1 4 1 "RMS(OBS, PRED)" CB 42 2.521 1
22 1 4 1 "RMS(OBS, PRED)" H 45 0.441 1
23 1 4 1 "RMS(OBS, PRED)" HA 46 0.195 1
24 1 4 1 "RMS(OBS, PRED)" N 45 1.622 1
25 1 5 1 "RMS(OBS, PRED)" C 44 1.017 1
26 1 5 1 "RMS(OBS, PRED)" CA 45 1.355 1
27 1 5 1 "RMS(OBS, PRED)" CB 42 2.548 1
28 1 5 1 "RMS(OBS, PRED)" H 45 0.455 1
29 1 5 1 "RMS(OBS, PRED)" HA 46 0.188 1
30 1 5 1 "RMS(OBS, PRED)" N 45 1.784 1
31 1 6 1 "RMS(OBS, PRED)" C 44 1.141 1
32 1 6 1 "RMS(OBS, PRED)" CA 45 1.630 1
33 1 6 1 "RMS(OBS, PRED)" CB 42 2.587 1
34 1 6 1 "RMS(OBS, PRED)" H 45 0.472 1
35 1 6 1 "RMS(OBS, PRED)" HA 46 0.239 1
36 1 6 1 "RMS(OBS, PRED)" N 45 1.564 1
37 1 7 1 "RMS(OBS, PRED)" C 44 1.106 1
38 1 7 1 "RMS(OBS, PRED)" CA 45 1.651 1
39 1 7 1 "RMS(OBS, PRED)" CB 42 2.700 1
40 1 7 1 "RMS(OBS, PRED)" H 45 0.423 1
41 1 7 1 "RMS(OBS, PRED)" HA 46 0.227 1
42 1 7 1 "RMS(OBS, PRED)" N 45 1.791 1
43 1 8 1 "RMS(OBS, PRED)" C 44 1.032 1
44 1 8 1 "RMS(OBS, PRED)" CA 45 1.532 1
45 1 8 1 "RMS(OBS, PRED)" CB 42 2.593 1
46 1 8 1 "RMS(OBS, PRED)" H 45 0.411 1
47 1 8 1 "RMS(OBS, PRED)" HA 46 0.221 1
48 1 8 1 "RMS(OBS, PRED)" N 45 1.744 1
49 1 9 1 "RMS(OBS, PRED)" C 44 1.058 1
50 1 9 1 "RMS(OBS, PRED)" CA 45 1.467 1
51 1 9 1 "RMS(OBS, PRED)" CB 42 2.592 1
52 1 9 1 "RMS(OBS, PRED)" H 45 0.450 1
53 1 9 1 "RMS(OBS, PRED)" HA 46 0.224 1
54 1 9 1 "RMS(OBS, PRED)" N 45 1.946 1
55 1 10 1 "RMS(OBS, PRED)" C 44 0.972 1
56 1 10 1 "RMS(OBS, PRED)" CA 45 1.363 1
57 1 10 1 "RMS(OBS, PRED)" CB 42 2.447 1
58 1 10 1 "RMS(OBS, PRED)" H 45 0.456 1
59 1 10 1 "RMS(OBS, PRED)" HA 46 0.218 1
60 1 10 1 "RMS(OBS, PRED)" N 45 1.930 1
61 1 11 1 "RMS(OBS, PRED)" C 44 1.176 1
62 1 11 1 "RMS(OBS, PRED)" CA 45 1.474 1
63 1 11 1 "RMS(OBS, PRED)" CB 42 2.780 1
64 1 11 1 "RMS(OBS, PRED)" H 45 0.473 1
65 1 11 1 "RMS(OBS, PRED)" HA 46 0.245 1
66 1 11 1 "RMS(OBS, PRED)" N 45 1.959 1
67 1 12 1 "RMS(OBS, PRED)" C 44 1.031 1
68 1 12 1 "RMS(OBS, PRED)" CA 45 1.517 1
69 1 12 1 "RMS(OBS, PRED)" CB 42 2.594 1
70 1 12 1 "RMS(OBS, PRED)" H 45 0.439 1
71 1 12 1 "RMS(OBS, PRED)" HA 46 0.223 1
72 1 12 1 "RMS(OBS, PRED)" N 45 1.656 1
73 1 13 1 "RMS(OBS, PRED)" C 44 1.023 1
74 1 13 1 "RMS(OBS, PRED)" CA 45 1.554 1
75 1 13 1 "RMS(OBS, PRED)" CB 42 2.585 1
76 1 13 1 "RMS(OBS, PRED)" H 45 0.355 1
77 1 13 1 "RMS(OBS, PRED)" HA 46 0.215 1
78 1 13 1 "RMS(OBS, PRED)" N 45 1.866 1
79 1 14 1 "RMS(OBS, PRED)" C 44 1.021 1
80 1 14 1 "RMS(OBS, PRED)" CA 45 1.425 1
81 1 14 1 "RMS(OBS, PRED)" CB 42 2.541 1
82 1 14 1 "RMS(OBS, PRED)" H 45 0.446 1
83 1 14 1 "RMS(OBS, PRED)" HA 46 0.229 1
84 1 14 1 "RMS(OBS, PRED)" N 45 1.772 1
85 1 15 1 "RMS(OBS, PRED)" C 44 1.035 1
86 1 15 1 "RMS(OBS, PRED)" CA 45 1.432 1
87 1 15 1 "RMS(OBS, PRED)" CB 42 2.467 1
88 1 15 1 "RMS(OBS, PRED)" H 45 0.349 1
89 1 15 1 "RMS(OBS, PRED)" HA 46 0.220 1
90 1 15 1 "RMS(OBS, PRED)" N 45 1.774 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 3 3 VAL H H 512 8.411 8.151 0.260 2
1 2 . 1 1 A 3 3 VAL HA H 512 4.140 3.716 0.424 2
1 7 . 1 1 A 3 3 VAL C C 512 176.681 177.641 -0.960 2
1 8 . 1 1 A 3 3 VAL CA C 512 63.248 65.716 -2.468 2
1 9 . 1 1 A 3 3 VAL CB C 512 32.219 31.339 0.880 2
1 11 . 1 1 A 3 3 VAL N N 512 121.730 120.998 0.732 2
1 12 . 1 1 A 4 4 GLU H H 513 8.552 8.451 0.101 2
1 13 . 1 1 A 4 4 GLU HA H 513 4.304 4.051 0.253 2
1 16 . 1 1 A 4 4 GLU C C 513 177.624 178.489 -0.865 2
1 17 . 1 1 A 4 4 GLU CA C 513 57.945 59.058 -1.113 2
1 18 . 1 1 A 4 4 GLU CB C 513 29.784 29.222 0.562 2
1 19 . 1 1 A 4 4 GLU N N 513 123.626 120.145 3.481 2
1 20 . 1 1 A 5 5 THR H H 514 8.341 7.953 0.388 2
1 21 . 1 1 A 5 5 THR HA H 514 4.364 4.085 0.279 2
1 26 . 1 1 A 5 5 THR C C 514 175.493 176.509 -1.016 2
1 27 . 1 1 A 5 5 THR CA C 514 62.824 65.284 -2.460 2
1 28 . 1 1 A 5 5 THR CB C 514 70.032 68.657 1.375 2
1 29 . 1 1 A 5 5 THR N N 514 114.159 113.896 0.263 2
1 30 . 1 1 A 6 6 CYS H H 515 8.739 8.265 0.474 2
1 31 . 1 1 A 6 6 CYS HA H 515 4.692 4.122 0.570 2
1 34 . 1 1 A 6 6 CYS C C 515 178.959 176.861 2.098 2
1 35 . 1 1 A 6 6 CYS CA C 515 57.420 62.522 -5.102 2
1 36 . 1 1 A 6 6 CYS CB C 515 42.167 26.774 15.393 2
1 37 . 1 1 A 6 6 CYS N N 515 119.497 119.869 -0.372 2
1 38 . 1 1 A 7 7 MET H H 516 8.380 8.491 -0.111 2
1 39 . 1 1 A 7 7 MET HA H 516 4.250 4.162 0.088 2
1 44 . 1 1 A 7 7 MET C C 516 176.520 178.171 -1.651 2
1 45 . 1 1 A 7 7 MET CA C 516 58.813 58.117 0.696 2
1 46 . 1 1 A 7 7 MET CB C 516 32.214 31.941 0.273 2
1 47 . 1 1 A 7 7 MET N N 516 120.287 121.407 -1.120 2
1 48 . 1 1 A 8 8 SER H H 517 8.409 7.980 0.429 2
1 49 . 1 1 A 8 8 SER HA H 517 4.339 4.238 0.101 2
1 51 . 1 1 A 8 8 SER C C 517 177.818 176.665 1.153 2
1 52 . 1 1 A 8 8 SER CA C 517 61.119 61.579 -0.460 2
1 53 . 1 1 A 8 8 SER CB C 517 62.384 62.950 -0.566 2
1 54 . 1 1 A 8 8 SER N N 517 116.219 114.909 1.310 2
1 55 . 1 1 A 9 9 LEU H H 518 8.017 7.911 0.106 2
1 56 . 1 1 A 9 9 LEU HA H 518 4.144 4.026 0.118 2
1 66 . 1 1 A 9 9 LEU C C 518 178.577 179.045 -0.468 2
1 67 . 1 1 A 9 9 LEU CA C 518 57.927 57.852 0.075 2
1 68 . 1 1 A 9 9 LEU CB C 518 42.987 41.339 1.648 2
1 70 . 1 1 A 9 9 LEU N N 518 122.883 120.202 2.681 2
1 71 . 1 1 A 10 10 ALA H H 519 8.085 8.625 -0.540 2
1 72 . 1 1 A 10 10 ALA HA H 519 4.044 4.081 -0.037 2
1 76 . 1 1 A 10 10 ALA C C 519 180.731 179.655 1.076 2
1 77 . 1 1 A 10 10 ALA CA C 519 55.810 55.283 0.527 2
1 78 . 1 1 A 10 10 ALA CB C 519 17.616 17.785 -0.169 2
1 79 . 1 1 A 10 10 ALA N N 519 121.112 121.992 -0.880 2
1 80 . 1 1 A 11 11 SER H H 520 7.998 8.174 -0.176 2
1 81 . 1 1 A 11 11 SER HA H 520 4.283 4.167 0.116 2
1 83 . 1 1 A 11 11 SER C C 520 177.283 176.825 0.458 2
1 84 . 1 1 A 11 11 SER CA C 520 61.279 61.404 -0.125 2
1 85 . 1 1 A 11 11 SER CB C 520 62.764 62.647 0.117 2
1 86 . 1 1 A 11 11 SER N N 520 113.163 113.058 0.105 2
1 87 . 1 1 A 12 12 GLN H H 521 8.082 7.836 0.246 2
1 88 . 1 1 A 12 12 GLN HA H 521 4.163 4.006 0.157 2
1 93 . 1 1 A 12 12 GLN C C 521 178.439 178.495 -0.056 2
1 94 . 1 1 A 12 12 GLN CA C 521 59.321 58.789 0.532 2
1 95 . 1 1 A 12 12 GLN CB C 521 28.932 28.470 0.462 2
1 97 . 1 1 A 12 12 GLN N N 521 123.452 121.505 1.947 2
1 98 . 1 1 A 13 13 VAL H H 522 8.289 8.108 0.181 2
1 99 . 1 1 A 13 13 VAL HA H 522 3.489 3.649 -0.160 2
1 107 . 1 1 A 13 13 VAL C C 522 179.392 178.331 1.061 2
1 108 . 1 1 A 13 13 VAL CA C 522 67.895 66.320 1.575 2
1 109 . 1 1 A 13 13 VAL CB C 522 31.597 31.530 0.067 2
1 112 . 1 1 A 13 13 VAL N N 522 119.508 119.940 -0.432 2
1 113 . 1 1 A 14 14 VAL H H 523 7.651 8.321 -0.670 2
1 114 . 1 1 A 14 14 VAL HA H 523 3.674 3.553 0.121 2
1 122 . 1 1 A 14 14 VAL C C 523 178.592 177.971 0.621 2
1 123 . 1 1 A 14 14 VAL CA C 523 67.190 66.598 0.592 2
1 124 . 1 1 A 14 14 VAL CB C 523 31.892 31.408 0.484 2
1 126 . 1 1 A 14 14 VAL N N 523 122.425 120.527 1.898 2
1 127 . 1 1 A 15 15 LYS H H 524 7.919 7.997 -0.078 2
1 128 . 1 1 A 15 15 LYS HA H 524 4.066 3.953 0.113 2
1 134 . 1 1 A 15 15 LYS C C 524 179.521 179.633 -0.112 2
1 135 . 1 1 A 15 15 LYS CA C 524 60.001 59.947 0.054 2
1 136 . 1 1 A 15 15 LYS CB C 524 32.693 32.292 0.401 2
1 139 . 1 1 A 15 15 LYS N N 524 120.960 119.372 1.588 2
1 140 . 1 1 A 16 16 LEU H H 525 8.939 8.271 0.668 2
1 141 . 1 1 A 16 16 LEU HA H 525 4.164 4.031 0.133 2
1 148 . 1 1 A 16 16 LEU C C 525 179.118 179.248 -0.130 2
1 149 . 1 1 A 16 16 LEU CA C 525 58.071 57.873 0.198 2
1 150 . 1 1 A 16 16 LEU CB C 525 43.853 41.849 2.004 2
1 153 . 1 1 A 16 16 LEU N N 525 119.646 120.382 -0.736 2
1 154 . 1 1 A 17 17 THR H H 526 8.311 8.540 -0.229 2
1 155 . 1 1 A 17 17 THR HA H 526 3.822 3.961 -0.139 2
1 160 . 1 1 A 17 17 THR C C 526 176.638 176.408 0.230 2
1 161 . 1 1 A 17 17 THR CA C 526 67.923 65.970 1.953 2
1 162 . 1 1 A 17 17 THR CB C 526 68.655 68.408 0.247 2
1 164 . 1 1 A 17 17 THR N N 526 115.841 114.351 1.490 2
1 165 . 1 1 A 18 18 LYS H H 527 7.717 8.302 -0.585 2
1 166 . 1 1 A 18 18 LYS HA H 527 4.112 3.954 0.158 2
1 173 . 1 1 A 18 18 LYS CA C 527 59.922 59.576 0.346 2
1 174 . 1 1 A 18 18 LYS CB C 527 32.354 32.379 -0.025 2
1 176 . 1 1 A 18 18 LYS N N 527 123.034 120.704 2.330 2
1 177 . 1 1 A 19 19 GLN H H 528 8.319 7.890 0.429 2
1 178 . 1 1 A 19 19 GLN HA H 528 4.149 4.038 0.111 2
1 181 . 1 1 A 19 19 GLN C C 528 179.236 178.890 0.346 2
1 182 . 1 1 A 19 19 GLN CA C 528 59.397 58.762 0.635 2
1 183 . 1 1 A 19 19 GLN CB C 528 29.175 28.094 1.081 2
1 184 . 1 1 A 19 19 GLN N N 528 119.343 118.566 0.777 2
1 185 . 1 1 A 20 20 LEU H H 529 8.869 8.522 0.347 2
1 186 . 1 1 A 20 20 LEU HA H 529 4.102 3.995 0.107 2
1 192 . 1 1 A 20 20 LEU C C 529 179.709 179.143 0.566 2
1 193 . 1 1 A 20 20 LEU CA C 529 58.277 57.921 0.356 2
1 194 . 1 1 A 20 20 LEU CB C 529 41.808 41.382 0.426 2
1 195 . 1 1 A 20 20 LEU N N 529 121.333 120.103 1.230 2
1 196 . 1 1 A 21 21 LYS H H 530 8.126 8.296 -0.170 2
1 197 . 1 1 A 21 21 LYS HA H 530 4.097 3.888 0.209 2
1 199 . 1 1 A 21 21 LYS C C 530 178.925 179.354 -0.429 2
1 200 . 1 1 A 21 21 LYS CA C 530 60.168 60.171 -0.003 2
1 201 . 1 1 A 21 21 LYS CB C 530 31.957 32.277 -0.320 2
1 202 . 1 1 A 21 21 LYS N N 530 122.900 118.822 4.078 2
1 203 . 1 1 A 22 22 GLU H H 531 8.138 8.320 -0.182 2
1 204 . 1 1 A 22 22 GLU HA H 531 4.064 4.083 -0.019 2
1 208 . 1 1 A 22 22 GLU C C 531 179.710 179.570 0.140 2
1 209 . 1 1 A 22 22 GLU CA C 531 59.532 59.173 0.359 2
1 210 . 1 1 A 22 22 GLU CB C 531 29.446 29.406 0.040 2
1 212 . 1 1 A 22 22 GLU N N 531 118.589 119.093 -0.504 2
1 213 . 1 1 A 23 23 GLN H H 532 8.457 8.127 0.330 2
1 214 . 1 1 A 23 23 GLN HA H 532 4.139 4.083 0.056 2
1 216 . 1 1 A 23 23 GLN C C 532 178.498 178.714 -0.216 2
1 217 . 1 1 A 23 23 GLN CA C 532 58.563 58.603 -0.040 2
1 218 . 1 1 A 23 23 GLN CB C 532 28.911 28.165 0.746 2
1 219 . 1 1 A 23 23 GLN N N 532 118.059 119.920 -1.861 2
1 220 . 1 1 A 24 24 THR H H 533 8.325 8.051 0.274 2
1 221 . 1 1 A 24 24 THR HA H 533 4.106 4.025 0.081 2
1 226 . 1 1 A 24 24 THR C C 533 175.780 176.230 -0.450 2
1 227 . 1 1 A 24 24 THR CA C 533 67.023 66.965 0.058 2
1 229 . 1 1 A 24 24 THR N N 533 117.397 117.548 -0.151 2
1 230 . 1 1 A 25 25 VAL H H 534 7.935 8.153 -0.218 2
1 231 . 1 1 A 25 25 VAL HA H 534 3.696 3.727 -0.031 2
1 239 . 1 1 A 25 25 VAL C C 534 179.333 177.846 1.487 2
1 240 . 1 1 A 25 25 VAL CA C 534 66.691 65.934 0.757 2
1 243 . 1 1 A 25 25 VAL N N 534 121.196 117.651 3.545 2
1 244 . 1 1 A 26 26 GLU H H 535 7.814 8.349 -0.535 2
1 245 . 1 1 A 26 26 GLU HA H 535 4.113 4.025 0.088 2
1 249 . 1 1 A 26 26 GLU C C 535 178.221 178.832 -0.611 2
1 250 . 1 1 A 26 26 GLU CA C 535 59.597 59.020 0.577 2
1 251 . 1 1 A 26 26 GLU CB C 535 29.298 29.041 0.257 2
1 253 . 1 1 A 26 26 GLU N N 535 120.430 121.023 -0.593 2
1 254 . 1 1 A 27 27 ARG H H 536 8.367 7.784 0.583 2
1 255 . 1 1 A 27 27 ARG HA H 536 3.906 4.143 -0.237 2
1 260 . 1 1 A 27 27 ARG C C 536 178.119 178.444 -0.325 2
1 261 . 1 1 A 27 27 ARG CA C 536 60.845 58.702 2.143 2
1 262 . 1 1 A 27 27 ARG CB C 536 27.361 29.933 -2.572 2
1 265 . 1 1 A 27 27 ARG N N 536 120.564 120.142 0.422 2
1 266 . 1 1 A 28 28 VAL H H 537 8.452 8.323 0.129 2
1 267 . 1 1 A 28 28 VAL HA H 537 3.691 3.807 -0.116 2
1 275 . 1 1 A 28 28 VAL C C 537 178.392 178.241 0.151 2
1 276 . 1 1 A 28 28 VAL CA C 537 66.670 65.474 1.196 2
1 277 . 1 1 A 28 28 VAL CB C 537 31.795 31.618 0.177 2
1 280 . 1 1 A 28 28 VAL N N 537 120.076 118.800 1.276 2
1 281 . 1 1 A 29 29 THR H H 538 8.165 7.991 0.174 2
1 282 . 1 1 A 29 29 THR HA H 538 3.985 3.958 0.027 2
1 287 . 1 1 A 29 29 THR C C 538 177.201 176.554 0.647 2
1 288 . 1 1 A 29 29 THR CA C 538 66.936 66.864 0.072 2
1 289 . 1 1 A 29 29 THR CB C 538 68.772 67.859 0.913 2
1 291 . 1 1 A 29 29 THR N N 538 117.307 116.922 0.385 2
1 292 . 1 1 A 30 30 LEU H H 539 8.145 8.508 -0.363 2
1 293 . 1 1 A 30 30 LEU HA H 539 4.181 3.997 0.184 2
1 303 . 1 1 A 30 30 LEU C C 539 178.786 178.784 0.002 2
1 304 . 1 1 A 30 30 LEU CA C 539 58.312 58.175 0.137 2
1 305 . 1 1 A 30 30 LEU CB C 539 42.965 41.637 1.328 2
1 308 . 1 1 A 30 30 LEU N N 539 122.885 121.625 1.260 2
1 309 . 1 1 A 31 31 GLN H H 540 8.739 8.504 0.235 2
1 310 . 1 1 A 31 31 GLN HA H 540 3.976 4.121 -0.145 2
1 315 . 1 1 A 31 31 GLN C C 540 179.052 178.546 0.506 2
1 316 . 1 1 A 31 31 GLN CA C 540 59.485 59.239 0.246 2
1 317 . 1 1 A 31 31 GLN CB C 540 28.488 27.995 0.493 2
1 319 . 1 1 A 31 31 GLN N N 540 119.660 117.939 1.721 2
1 320 . 1 1 A 32 32 ASN H H 541 8.467 8.441 0.026 2
1 321 . 1 1 A 32 32 ASN HA H 541 4.532 4.441 0.091 2
1 324 . 1 1 A 32 32 ASN C C 541 178.095 177.767 0.328 2
1 325 . 1 1 A 32 32 ASN CA C 541 56.010 56.519 -0.509 2
1 326 . 1 1 A 32 32 ASN CB C 541 37.881 38.881 -1.000 2
1 327 . 1 1 A 32 32 ASN N N 541 118.499 117.743 0.756 2
1 328 . 1 1 A 33 33 GLN H H 542 8.158 8.064 0.094 2
1 329 . 1 1 A 33 33 GLN HA H 542 4.029 4.087 -0.058 2
1 333 . 1 1 A 33 33 GLN C C 542 178.763 178.907 -0.144 2
1 334 . 1 1 A 33 33 GLN CA C 542 58.964 58.878 0.086 2
1 335 . 1 1 A 33 33 GLN CB C 542 28.949 28.187 0.762 2
1 337 . 1 1 A 33 33 GLN N N 542 121.150 118.292 2.858 2
1 338 . 1 1 A 34 34 LEU H H 543 8.606 8.568 0.038 2
1 339 . 1 1 A 34 34 LEU HA H 543 4.140 4.278 -0.138 2
1 349 . 1 1 A 34 34 LEU C C 543 178.395 178.412 -0.017 2
1 350 . 1 1 A 34 34 LEU CA C 543 58.323 57.669 0.654 2
1 351 . 1 1 A 34 34 LEU CB C 543 41.979 41.668 0.311 2
1 355 . 1 1 A 34 34 LEU N N 543 120.557 121.548 -0.991 2
1 356 . 1 1 A 35 35 GLN H H 544 8.170 8.824 -0.654 2
1 357 . 1 1 A 35 35 GLN HA H 544 3.969 3.948 0.021 2
1 361 . 1 1 A 35 35 GLN C C 544 178.194 178.521 -0.327 2
1 362 . 1 1 A 35 35 GLN CA C 544 59.060 59.560 -0.500 2
1 363 . 1 1 A 35 35 GLN CB C 544 28.046 28.232 -0.186 2
1 365 . 1 1 A 35 35 GLN N N 544 117.978 118.913 -0.935 2
1 366 . 1 1 A 36 36 GLN H H 545 7.786 8.031 -0.245 2
1 367 . 1 1 A 36 36 GLN HA H 545 4.024 4.095 -0.071 2
1 371 . 1 1 A 36 36 GLN C C 545 178.864 178.464 0.400 2
1 372 . 1 1 A 36 36 GLN CA C 545 58.857 58.876 -0.019 2
1 373 . 1 1 A 36 36 GLN CB C 545 28.112 28.286 -0.174 2
1 375 . 1 1 A 36 36 GLN N N 545 116.904 118.703 -1.799 2
1 376 . 1 1 A 37 37 PHE H H 546 7.734 8.354 -0.620 2
1 377 . 1 1 A 37 37 PHE HA H 546 4.233 4.218 0.015 2
1 382 . 1 1 A 37 37 PHE C C 546 178.078 177.576 0.502 2
1 383 . 1 1 A 37 37 PHE CA C 546 60.681 61.178 -0.497 2
1 384 . 1 1 A 37 37 PHE CB C 546 38.124 39.272 -1.148 2
1 385 . 1 1 A 37 37 PHE N N 546 119.594 122.138 -2.544 2
1 386 . 1 1 A 38 38 LEU H H 547 8.240 8.564 -0.324 2
1 387 . 1 1 A 38 38 LEU HA H 547 4.037 3.513 0.524 2
1 394 . 1 1 A 38 38 LEU C C 547 180.193 178.672 1.521 2
1 395 . 1 1 A 38 38 LEU CA C 547 57.303 58.107 -0.804 2
1 396 . 1 1 A 38 38 LEU CB C 547 41.519 41.199 0.320 2
1 398 . 1 1 A 38 38 LEU N N 547 119.925 118.752 1.173 2
1 399 . 1 1 A 39 39 GLU H H 548 8.273 8.379 -0.106 2
1 400 . 1 1 A 39 39 GLU HA H 548 4.083 3.971 0.112 2
1 403 . 1 1 A 39 39 GLU C C 548 178.417 179.237 -0.820 2
1 404 . 1 1 A 39 39 GLU CA C 548 58.494 59.479 -0.985 2
1 405 . 1 1 A 39 39 GLU CB C 548 29.238 29.122 0.116 2
1 407 . 1 1 A 39 39 GLU N N 548 119.463 119.404 0.059 2
1 408 . 1 1 A 40 40 ALA H H 549 7.714 8.348 -0.634 2
1 409 . 1 1 A 40 40 ALA HA H 549 4.244 4.003 0.241 2
1 413 . 1 1 A 40 40 ALA C C 549 179.123 179.936 -0.813 2
1 414 . 1 1 A 40 40 ALA CA C 549 53.829 55.081 -1.252 2
1 415 . 1 1 A 40 40 ALA CB C 549 18.330 18.229 0.101 2
1 416 . 1 1 A 40 40 ALA N N 549 122.046 122.538 -0.492 2
1 417 . 1 1 A 41 41 GLN H H 550 7.825 7.805 0.020 2
1 418 . 1 1 A 41 41 GLN HA H 550 4.207 3.932 0.275 2
1 423 . 1 1 A 41 41 GLN C C 550 177.115 178.509 -1.394 2
1 424 . 1 1 A 41 41 GLN CA C 550 56.917 58.642 -1.725 2
1 425 . 1 1 A 41 41 GLN CB C 550 28.948 28.260 0.688 2
1 427 . 1 1 A 41 41 GLN N N 550 117.391 117.849 -0.458 2
1 428 . 1 1 A 42 42 LYS H H 551 7.905 7.715 0.190 2
1 429 . 1 1 A 42 42 LYS HA H 551 4.293 4.014 0.279 2
1 435 . 1 1 A 42 42 LYS C C 551 177.498 179.318 -1.820 2
1 436 . 1 1 A 42 42 LYS CA C 551 57.298 59.197 -1.899 2
1 437 . 1 1 A 42 42 LYS CB C 551 32.903 32.201 0.702 2
1 441 . 1 1 A 42 42 LYS N N 551 120.398 120.116 0.282 2
1 442 . 1 1 A 43 43 SER H H 552 8.144 8.219 -0.075 2
1 443 . 1 1 A 43 43 SER HA H 552 4.438 4.128 0.310 2
1 445 . 1 1 A 43 43 SER C C 552 174.871 176.654 -1.783 2
1 446 . 1 1 A 43 43 SER CA C 552 58.932 61.890 -2.958 2
1 447 . 1 1 A 43 43 SER CB C 552 63.785 62.978 0.807 2
1 448 . 1 1 A 43 43 SER N N 552 115.839 116.850 -1.011 2
1 449 . 1 1 A 44 44 GLU H H 553 8.267 8.197 0.070 2
1 450 . 1 1 A 44 44 GLU HA H 553 4.300 4.086 0.214 2
1 454 . 1 1 A 44 44 GLU C C 553 177.103 179.935 -2.832 2
1 455 . 1 1 A 44 44 GLU CA C 553 56.940 59.217 -2.277 2
1 456 . 1 1 A 44 44 GLU CB C 553 29.992 29.258 0.734 2
1 458 . 1 1 A 44 44 GLU N N 553 122.271 121.258 1.013 2
1 459 . 1 1 A 45 45 GLY H H 554 8.384 8.360 0.024 2
1 460 . 1 1 A 45 45 GLY HA2 H 554 3.963 3.663 0.300 2
1 461 . 1 1 A 45 45 GLY HA3 H 554 3.963 3.670 0.293 2
1 462 . 1 1 A 45 45 GLY C C 554 174.201 175.870 -1.669 2
1 463 . 1 1 A 45 45 GLY CA C 554 45.474 46.875 -1.401 2
1 464 . 1 1 A 45 45 GLY N N 554 109.533 109.452 0.081 2
1 465 . 1 1 A 46 46 LYS H H 555 8.064 8.749 -0.685 2
1 466 . 1 1 A 46 46 LYS HA H 555 4.417 4.156 0.261 2
1 472 . 1 1 A 46 46 LYS C C 555 176.485 177.042 -0.557 2
1 473 . 1 1 A 46 46 LYS CA C 555 56.017 58.342 -2.325 2
1 474 . 1 1 A 46 46 LYS CB C 555 33.281 31.802 1.479 2
1 477 . 1 1 A 46 46 LYS N N 555 120.660 119.618 1.042 2
1 478 . 1 1 A 47 47 SER H H 556 8.391 7.557 0.834 2
1 479 . 1 1 A 47 47 SER HA H 556 4.562 4.474 0.088 2
1 482 . 1 1 A 47 47 SER C C 556 173.556 174.177 -0.621 2
1 483 . 1 1 A 47 47 SER CA C 556 58.444 58.379 0.065 2
1 484 . 1 1 A 47 47 SER CB C 556 64.149 63.438 0.711 2
1 485 . 1 1 A 47 47 SER N N 556 117.900 115.802 2.098 2
stop_
save_