data_25953 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25953 _Entry.PDB_ID 2NAX save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25953 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 535 535 SER HA H 535 4.465 4.465 4.470 -0.005 25953 2 1 1 . 1 1 535 535 SER C C 535 174.718 174.718 175.453 -0.735 25953 3 1 1 . 1 1 535 535 SER CA C 535 58.323 58.323 58.282 0.041 25953 4 1 1 . 1 1 535 535 SER CB C 535 63.845 63.845 63.779 0.066 25953 5 1 1 . 1 1 536 536 GLU N N 536 122.899 122.899 123.777 -0.878 25953 6 1 1 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.259 -0.058 25953 7 1 1 . 1 1 536 536 GLU C C 536 176.241 176.241 176.171 0.070 25953 8 1 1 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.624 0.453 25953 9 1 1 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.845 -0.012 25953 10 1 1 . 1 1 536 536 GLU H H 536 8.638 8.638 8.848 -0.210 25953 11 1 1 . 1 1 537 537 PHE N N 537 120.390 120.390 119.450 0.940 25953 12 1 1 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.256 0.385 25953 13 1 1 . 1 1 537 537 PHE C C 537 176.005 176.005 174.289 1.716 25953 14 1 1 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.604 0.200 25953 15 1 1 . 1 1 537 537 PHE CB C 537 39.450 39.450 38.204 1.246 25953 16 1 1 . 1 1 537 537 PHE H H 537 8.266 8.266 7.948 0.318 25953 17 1 1 . 1 1 538 538 SER N N 538 117.148 117.148 115.179 1.969 25953 18 1 1 . 1 1 538 538 SER HA H 538 4.399 4.399 4.423 -0.024 25953 19 1 1 . 1 1 538 538 SER C C 538 174.167 174.167 173.686 0.481 25953 20 1 1 . 1 1 538 538 SER CA C 538 58.437 58.437 57.590 0.847 25953 21 1 1 . 1 1 538 538 SER CB C 538 63.956 63.956 64.084 -0.128 25953 22 1 1 . 1 1 538 538 SER H H 538 8.194 8.194 7.780 0.414 25953 23 1 1 . 1 1 539 539 ASP N N 539 122.404 122.404 120.884 1.520 25953 24 1 1 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.364 0.222 25953 25 1 1 . 1 1 539 539 ASP C C 539 176.496 176.496 175.998 0.498 25953 26 1 1 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.238 0.233 25953 27 1 1 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.106 -0.085 25953 28 1 1 . 1 1 539 539 ASP H H 539 8.333 8.333 8.329 0.004 25953 29 1 1 . 1 1 540 540 ARG N N 540 121.337 121.337 122.624 -1.287 25953 30 1 1 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.526 -0.163 25953 31 1 1 . 1 1 540 540 ARG C C 540 176.889 176.889 175.966 0.923 25953 32 1 1 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.730 0.676 25953 33 1 1 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.971 -0.606 25953 34 1 1 . 1 1 540 540 ARG H H 540 8.293 8.293 8.280 0.013 25953 35 1 1 . 1 1 541 541 SER N N 541 116.606 116.606 118.286 -1.680 25953 36 1 1 . 1 1 541 541 SER HA H 541 4.319 4.319 4.578 -0.259 25953 37 1 1 . 1 1 541 541 SER C C 541 175.060 175.060 175.079 -0.019 25953 38 1 1 . 1 1 541 541 SER CA C 541 59.655 59.655 57.420 2.235 25953 39 1 1 . 1 1 541 541 SER CB C 541 63.417 63.417 64.406 -0.989 25953 40 1 1 . 1 1 541 541 SER H H 541 8.369 8.369 8.571 -0.202 25953 41 1 1 . 1 1 542 542 ASN N N 542 120.759 120.759 122.970 -2.211 25953 42 1 1 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.714 -0.014 25953 43 1 1 . 1 1 542 542 ASN C C 542 175.903 175.903 176.299 -0.396 25953 44 1 1 . 1 1 542 542 ASN CA C 542 53.788 53.788 53.818 -0.030 25953 45 1 1 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.033 0.695 25953 46 1 1 . 1 1 542 542 ASN H H 542 8.451 8.451 8.873 -0.422 25953 47 1 1 . 1 1 543 543 GLU N N 543 120.886 120.886 120.106 0.780 25953 48 1 1 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.068 -0.077 25953 49 1 1 . 1 1 543 543 GLU C C 543 177.658 177.658 176.935 0.723 25953 50 1 1 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.869 -0.080 25953 51 1 1 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.229 0.525 25953 52 1 1 . 1 1 543 543 GLU H H 543 8.257 8.257 7.720 0.537 25953 53 1 1 . 1 1 544 544 LEU N N 544 119.978 119.978 118.555 1.423 25953 54 1 1 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.403 -0.316 25953 55 1 1 . 1 1 544 544 LEU C C 544 179.340 179.340 178.783 0.557 25953 56 1 1 . 1 1 544 544 LEU CA C 544 57.198 57.198 55.756 1.442 25953 57 1 1 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.878 -0.267 25953 58 1 1 . 1 1 544 544 LEU H H 544 8.104 8.104 8.003 0.101 25953 59 1 1 . 1 1 545 545 GLU N N 545 120.432 120.432 121.399 -0.967 25953 60 1 1 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.095 -0.035 25953 61 1 1 . 1 1 545 545 GLU C C 545 178.371 178.371 178.264 0.107 25953 62 1 1 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.380 -1.137 25953 63 1 1 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.802 -0.237 25953 64 1 1 . 1 1 545 545 GLU H H 545 7.995 7.995 7.804 0.191 25953 65 1 1 . 1 1 546 546 ILE N N 546 119.751 119.751 117.261 2.490 25953 66 1 1 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.882 -0.258 25953 67 1 1 . 1 1 546 546 ILE C C 546 178.857 178.857 178.213 0.644 25953 68 1 1 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.753 0.086 25953 69 1 1 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.492 0.162 25953 70 1 1 . 1 1 546 546 ILE H H 546 7.828 7.828 7.522 0.306 25953 71 1 1 . 1 1 547 547 ARG N N 547 120.304 120.304 119.888 0.416 25953 72 1 1 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.251 0.106 25953 73 1 1 . 1 1 547 547 ARG C C 547 176.842 176.842 178.513 -1.671 25953 74 1 1 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.845 -0.970 25953 75 1 1 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.107 0.353 25953 76 1 1 . 1 1 547 547 ARG H H 547 8.313 8.313 8.320 -0.007 25953 77 1 1 . 1 1 548 548 GLY N N 548 104.777 104.777 105.608 -0.831 25953 78 1 1 . 1 1 548 548 GLY C C 548 175.105 175.105 174.657 0.448 25953 79 1 1 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.034 0.426 25953 80 1 1 . 1 1 548 548 GLY H H 548 7.823 7.823 7.810 0.013 25953 81 1 1 . 1 1 549 549 LYS N N 549 122.134 122.134 122.653 -0.519 25953 82 1 1 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.565 -0.188 25953 83 1 1 . 1 1 549 549 LYS C C 549 175.156 175.156 175.270 -0.114 25953 84 1 1 . 1 1 549 549 LYS CA C 549 57.373 57.373 55.873 1.500 25953 85 1 1 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.725 -0.578 25953 86 1 1 . 1 1 549 549 LYS H H 549 7.257 7.257 7.485 -0.228 25953 87 1 1 . 1 1 550 550 TYR N N 550 117.482 117.482 117.732 -0.250 25953 88 1 1 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.711 0.047 25953 89 1 1 . 1 1 550 550 TYR C C 550 174.650 174.650 174.104 0.546 25953 90 1 1 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.223 -0.193 25953 91 1 1 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.611 0.616 25953 92 1 1 . 1 1 550 550 TYR H H 550 8.108 8.108 8.134 -0.026 25953 93 1 1 . 1 1 551 551 VAL N N 551 117.964 117.964 120.180 -2.216 25953 94 1 1 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.215 0.244 25953 95 1 1 . 1 1 551 551 VAL C C 551 174.974 174.974 174.169 0.805 25953 96 1 1 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.736 -1.698 25953 97 1 1 . 1 1 551 551 VAL CB C 551 36.793 36.793 37.246 -0.453 25953 98 1 1 . 1 1 551 551 VAL H H 551 8.549 8.549 8.691 -0.142 25953 99 1 1 . 1 1 552 552 VAL N N 552 126.679 126.679 126.042 0.637 25953 100 1 1 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.500 -0.341 25953 101 1 1 . 1 1 552 552 VAL C C 552 175.545 175.545 175.269 0.276 25953 102 1 1 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.373 0.778 25953 103 1 1 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.672 -0.714 25953 104 1 1 . 1 1 552 552 VAL H H 552 8.642 8.642 8.349 0.293 25953 105 1 1 . 1 1 553 553 VAL N N 553 129.744 129.744 128.447 1.297 25953 106 1 1 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.253 -1.794 25953 107 1 1 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.834 3.334 25953 108 1 1 . 1 1 553 553 VAL CB C 553 31.384 31.384 34.412 -3.028 25953 109 1 1 . 1 1 553 553 VAL H H 553 8.341 8.341 8.582 -0.241 25953 110 1 1 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.568 -0.180 25953 111 1 1 . 1 1 554 554 PRO C C 554 178.374 178.374 176.941 1.433 25953 112 1 1 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.372 0.204 25953 113 1 1 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.165 0.590 25953 114 1 1 . 1 1 555 555 GLU N N 555 122.440 122.440 123.438 -0.998 25953 115 1 1 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.724 0.330 25953 116 1 1 . 1 1 555 555 GLU C C 555 176.757 176.757 176.148 0.609 25953 117 1 1 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.764 -0.263 25953 118 1 1 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.172 1.241 25953 119 1 1 . 1 1 555 555 GLU H H 555 8.904 8.904 8.735 0.169 25953 120 1 1 . 1 1 556 556 THR N N 556 104.703 104.703 107.658 -2.955 25953 121 1 1 . 1 1 556 556 THR HA H 556 4.152 4.152 4.211 -0.059 25953 122 1 1 . 1 1 556 556 THR C C 556 175.161 175.161 175.100 0.061 25953 123 1 1 . 1 1 556 556 THR CA C 556 61.379 61.379 62.314 -0.935 25953 124 1 1 . 1 1 556 556 THR CB C 556 68.976 68.976 68.722 0.254 25953 125 1 1 . 1 1 556 556 THR H H 556 7.160 7.160 7.620 -0.460 25953 126 1 1 . 1 1 557 557 SER N N 557 116.705 116.705 117.637 -0.932 25953 127 1 1 . 1 1 557 557 SER HA H 557 4.529 4.529 4.380 0.149 25953 128 1 1 . 1 1 557 557 SER C C 557 175.325 175.325 173.947 1.378 25953 129 1 1 . 1 1 557 557 SER CA C 557 58.036 58.036 57.884 0.152 25953 130 1 1 . 1 1 557 557 SER CB C 557 63.214 63.214 62.472 0.742 25953 131 1 1 . 1 1 557 557 SER H H 557 7.405 7.405 7.557 -0.152 25953 132 1 1 . 1 1 558 558 GLN N N 558 127.356 127.356 122.752 4.604 25953 133 1 1 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.976 0.193 25953 134 1 1 . 1 1 558 558 GLN C C 558 176.491 176.491 175.920 0.571 25953 135 1 1 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.010 -0.416 25953 136 1 1 . 1 1 558 558 GLN CB C 558 28.773 28.773 27.060 1.713 25953 137 1 1 . 1 1 558 558 GLN H H 558 8.915 8.915 8.138 0.777 25953 138 1 1 . 1 1 559 559 ASP N N 559 116.840 116.840 122.501 -5.661 25953 139 1 1 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.659 -0.174 25953 140 1 1 . 1 1 559 559 ASP C C 559 175.554 175.554 176.324 -0.770 25953 141 1 1 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.883 -0.680 25953 142 1 1 . 1 1 559 559 ASP CB C 559 40.526 40.526 39.607 0.919 25953 143 1 1 . 1 1 559 559 ASP H H 559 8.275 8.275 8.652 -0.377 25953 144 1 1 . 1 1 560 560 MET N N 560 112.866 112.866 114.644 -1.778 25953 145 1 1 . 1 1 560 560 MET HA H 560 3.899 3.899 3.790 0.109 25953 146 1 1 . 1 1 560 560 MET C C 560 175.044 175.044 174.315 0.729 25953 147 1 1 . 1 1 560 560 MET CA C 560 56.400 56.400 56.358 0.042 25953 148 1 1 . 1 1 560 560 MET CB C 560 30.933 30.933 29.627 1.306 25953 149 1 1 . 1 1 560 560 MET H H 560 7.935 7.935 7.623 0.312 25953 150 1 1 . 1 1 561 561 ALA N N 561 122.207 122.207 119.760 2.447 25953 151 1 1 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.814 0.097 25953 152 1 1 . 1 1 561 561 ALA C C 561 176.577 176.577 175.566 1.011 25953 153 1 1 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.502 -0.525 25953 154 1 1 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.530 0.757 25953 155 1 1 . 1 1 561 561 ALA H H 561 7.910 7.910 7.589 0.321 25953 156 1 1 . 1 1 562 562 PHE N N 562 117.027 117.027 121.662 -4.635 25953 157 1 1 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.743 -0.107 25953 158 1 1 . 1 1 562 562 PHE C C 562 170.988 170.988 173.270 -2.282 25953 159 1 1 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.691 -0.461 25953 160 1 1 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.373 -2.327 25953 161 1 1 . 1 1 562 562 PHE H H 562 8.075 8.075 8.566 -0.491 25953 162 1 1 . 1 1 563 563 LYS N N 563 120.420 120.420 125.383 -4.963 25953 163 1 1 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.598 -0.098 25953 164 1 1 . 1 1 563 563 LYS C C 563 176.093 176.093 175.322 0.771 25953 165 1 1 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.639 -1.837 25953 166 1 1 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.884 0.795 25953 167 1 1 . 1 1 563 563 LYS H H 563 8.392 8.392 7.388 1.004 25953 168 1 1 . 1 1 564 564 N N 564 132.535 132.535 10006.900 -9874.370 25953 169 1 1 . 1 1 564 564 HA H 564 4.639 4.639 9999.360 -9994.720 25953 170 1 1 . 1 1 564 564 C C 564 175.820 175.820 9997.720 -9821.900 25953 171 1 1 . 1 1 564 564 CA C 564 57.545 57.545 9995.590 -9938.040 25953 172 1 1 . 1 1 564 564 CB C 564 30.650 30.650 9998.230 -9967.580 25953 173 1 1 . 1 1 564 564 H H 564 8.456 8.456 9999.300 -9990.840 25953 174 1 1 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.340 0.040 25953 175 1 1 . 1 1 565 565 PRO C C 565 177.300 177.300 177.650 -0.350 25953 176 1 1 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.058 -0.665 25953 177 1 1 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.963 1.042 25953 178 1 1 . 1 1 566 566 ILE N N 566 118.529 118.529 117.014 1.515 25953 179 1 1 . 1 1 566 566 ILE HA H 566 4.131 4.131 4.052 0.079 25953 180 1 1 . 1 1 566 566 ILE C C 566 176.361 176.361 176.772 -0.411 25953 181 1 1 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.865 -0.166 25953 182 1 1 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.549 0.248 25953 183 1 1 . 1 1 566 566 ILE H H 566 8.528 8.528 7.724 0.804 25953 184 1 1 . 1 1 567 567 N N 567 116.646 116.646 9995.490 -9878.840 25953 185 1 1 . 1 1 567 567 HA H 567 4.932 4.932 9999.300 -9994.370 25953 186 1 1 . 1 1 567 567 C C 567 176.175 176.175 9999.060 -9822.880 25953 187 1 1 . 1 1 567 567 CA C 567 58.801 58.801 9997.620 -9938.820 25953 188 1 1 . 1 1 567 567 CB C 567 31.243 31.243 9999.770 -9968.530 25953 189 1 1 . 1 1 567 567 H H 567 7.770 7.770 9998.610 -9990.840 25953 190 1 1 . 1 1 568 568 LYS N N 568 116.867 116.867 118.303 -1.436 25953 191 1 1 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.021 -0.006 25953 192 1 1 . 1 1 568 568 LYS C C 568 175.290 175.290 175.833 -0.543 25953 193 1 1 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.408 0.466 25953 194 1 1 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.043 -0.408 25953 195 1 1 . 1 1 568 568 LYS H H 568 8.038 8.038 8.137 -0.099 25953 196 1 1 . 1 1 569 569 GLU N N 569 120.683 120.683 118.603 2.080 25953 197 1 1 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.640 -0.168 25953 198 1 1 . 1 1 569 569 GLU C C 569 175.851 175.851 175.743 0.108 25953 199 1 1 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.847 1.354 25953 200 1 1 . 1 1 569 569 GLU CB C 569 31.343 31.343 31.930 -0.587 25953 201 1 1 . 1 1 569 569 GLU H H 569 8.380 8.380 7.818 0.562 25953 202 1 1 . 1 1 570 570 THR N N 570 118.082 118.082 116.008 2.074 25953 203 1 1 . 1 1 570 570 THR HA H 570 4.378 4.378 4.910 -0.532 25953 204 1 1 . 1 1 570 570 THR C C 570 174.070 174.070 173.853 0.217 25953 205 1 1 . 1 1 570 570 THR CA C 570 63.174 63.174 61.796 1.378 25953 206 1 1 . 1 1 570 570 THR CB C 570 69.853 69.853 70.282 -0.429 25953 207 1 1 . 1 1 570 570 THR H H 570 8.565 8.565 8.498 0.067 25953 208 1 1 . 1 1 571 571 VAL N N 571 132.533 132.533 127.698 4.835 25953 209 1 1 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.431 -0.560 25953 210 1 1 . 1 1 571 571 VAL C C 571 174.198 174.198 174.615 -0.417 25953 211 1 1 . 1 1 571 571 VAL CA C 571 62.070 62.070 62.083 -0.013 25953 212 1 1 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.191 -1.261 25953 213 1 1 . 1 1 571 571 VAL H H 571 8.740 8.740 8.931 -0.191 25953 214 1 1 . 1 1 572 572 THR N N 572 116.229 116.229 120.117 -3.888 25953 215 1 1 . 1 1 572 572 THR HA H 572 5.243 5.243 5.159 0.084 25953 216 1 1 . 1 1 572 572 THR C C 572 175.803 175.803 175.139 0.664 25953 217 1 1 . 1 1 572 572 THR CA C 572 60.095 60.095 60.094 0.001 25953 218 1 1 . 1 1 572 572 THR CB C 572 70.889 70.889 71.696 -0.807 25953 219 1 1 . 1 1 572 572 THR H H 572 8.089 8.089 8.255 -0.166 25953 220 1 1 . 1 1 573 573 GLY N N 573 110.544 110.544 111.498 -0.954 25953 221 1 1 . 1 1 573 573 GLY C C 573 172.769 172.769 173.973 -1.204 25953 222 1 1 . 1 1 573 573 GLY CA C 573 46.434 46.434 45.005 1.429 25953 223 1 1 . 1 1 573 573 GLY H H 573 8.871 8.871 8.594 0.277 25953 224 1 1 . 1 1 574 574 VAL N N 574 120.833 120.833 119.679 1.154 25953 225 1 1 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.616 0.211 25953 226 1 1 . 1 1 574 574 VAL C C 574 173.472 173.472 174.249 -0.777 25953 227 1 1 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.922 0.079 25953 228 1 1 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.459 0.180 25953 229 1 1 . 1 1 574 574 VAL H H 574 9.473 9.473 8.934 0.539 25953 230 1 1 . 1 1 575 575 TYR N N 575 126.796 126.796 127.250 -0.454 25953 231 1 1 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.614 -1.053 25953 232 1 1 . 1 1 575 575 TYR C C 575 174.622 174.622 174.632 -0.010 25953 233 1 1 . 1 1 575 575 TYR CA C 575 58.232 58.232 56.745 1.487 25953 234 1 1 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.118 -0.854 25953 235 1 1 . 1 1 575 575 TYR H H 575 8.410 8.410 9.023 -0.613 25953 236 1 1 . 1 1 576 576 ASP N N 576 130.548 130.548 130.869 -0.321 25953 237 1 1 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.553 -0.123 25953 238 1 1 . 1 1 576 576 ASP C C 576 174.399 174.399 175.812 -1.413 25953 239 1 1 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.662 -0.153 25953 240 1 1 . 1 1 576 576 ASP CB C 576 42.012 42.012 40.411 1.601 25953 241 1 1 . 1 1 576 576 ASP H H 576 8.228 8.228 8.761 -0.533 25953 242 1 1 . 1 1 577 577 GLU N N 577 125.178 125.178 124.365 0.813 25953 243 1 1 . 1 1 577 577 GLU HA H 577 3.579 3.579 3.566 0.013 25953 244 1 1 . 1 1 577 577 GLU C C 577 178.103 178.103 177.749 0.354 25953 245 1 1 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.420 1.287 25953 246 1 1 . 1 1 577 577 GLU CB C 577 29.510 29.510 28.153 1.357 25953 247 1 1 . 1 1 577 577 GLU H H 577 8.480 8.480 7.658 0.822 25953 248 1 1 . 1 1 578 578 GLU N N 578 117.933 117.933 120.095 -2.162 25953 249 1 1 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.146 -0.177 25953 250 1 1 . 1 1 578 578 GLU C C 578 177.632 177.632 177.820 -0.188 25953 251 1 1 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.092 0.947 25953 252 1 1 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.703 -0.317 25953 253 1 1 . 1 1 578 578 GLU H H 578 8.126 8.126 7.835 0.291 25953 254 1 1 . 1 1 579 579 SER N N 579 111.483 111.483 114.215 -2.732 25953 255 1 1 . 1 1 579 579 SER HA H 579 4.343 4.343 4.428 -0.085 25953 256 1 1 . 1 1 579 579 SER C C 579 176.070 176.070 175.836 0.234 25953 257 1 1 . 1 1 579 579 SER CA C 579 58.557 58.557 59.158 -0.601 25953 258 1 1 . 1 1 579 579 SER CB C 579 64.809 64.809 65.347 -0.537 25953 259 1 1 . 1 1 579 579 SER H H 579 7.510 7.510 8.061 -0.551 25953 260 1 1 . 1 1 580 580 GLY N N 580 113.307 113.307 110.169 3.138 25953 261 1 1 . 1 1 580 580 GLY C C 580 173.600 173.600 173.297 0.303 25953 262 1 1 . 1 1 580 580 GLY CA C 580 46.106 46.106 44.729 1.377 25953 263 1 1 . 1 1 580 580 GLY H H 580 8.196 8.196 8.378 -0.182 25953 264 1 1 . 1 1 581 581 GLU N N 581 116.623 116.623 116.416 0.207 25953 265 1 1 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.525 0.180 25953 266 1 1 . 1 1 581 581 GLU C C 581 174.750 174.750 175.126 -0.376 25953 267 1 1 . 1 1 581 581 GLU CA C 581 53.869 53.869 54.234 -0.365 25953 268 1 1 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.079 0.531 25953 269 1 1 . 1 1 581 581 GLU H H 581 6.994 6.994 7.694 -0.700 25953 270 1 1 . 1 1 582 582 TRP N N 582 122.364 122.364 119.321 3.043 25953 271 1 1 . 1 1 582 582 TRP HA H 582 4.801 4.801 4.977 -0.176 25953 272 1 1 . 1 1 582 582 TRP C C 582 176.750 176.750 175.943 0.807 25953 273 1 1 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.839 -0.806 25953 274 1 1 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.133 -1.276 25953 275 1 1 . 1 1 582 582 TRP H H 582 8.841 8.841 8.703 0.138 25953 276 1 1 . 1 1 583 583 VAL N N 583 115.147 115.147 119.795 -4.648 25953 277 1 1 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.151 -0.035 25953 278 1 1 . 1 1 583 583 VAL C C 583 175.063 175.063 174.324 0.739 25953 279 1 1 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.369 -0.971 25953 280 1 1 . 1 1 583 583 VAL CB C 583 36.769 36.769 37.081 -0.312 25953 281 1 1 . 1 1 583 583 VAL H H 583 9.440 9.440 9.371 0.069 25953 282 1 1 . 1 1 584 584 TRP N N 584 123.710 123.710 125.057 -1.347 25953 283 1 1 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.174 0.076 25953 284 1 1 . 1 1 584 584 TRP C C 584 176.436 176.436 174.903 1.533 25953 285 1 1 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.987 -0.586 25953 286 1 1 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.552 -2.109 25953 287 1 1 . 1 1 584 584 TRP H H 584 9.295 9.295 9.407 -0.112 25953 288 1 1 . 1 1 585 585 LYS N N 585 122.031 122.031 123.254 -1.223 25953 289 1 1 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.932 -0.369 25953 290 1 1 . 1 1 585 585 LYS C C 585 178.886 178.886 177.384 1.502 25953 291 1 1 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.497 1.816 25953 292 1 1 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.822 -1.389 25953 293 1 1 . 1 1 585 585 LYS H H 585 8.689 8.689 8.450 0.239 25953 294 1 1 . 1 1 586 586 ASN N N 586 123.634 123.634 120.522 3.112 25953 295 1 1 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.474 0.429 25953 296 1 1 . 1 1 586 586 ASN C C 586 176.043 176.043 173.903 2.140 25953 297 1 1 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.263 0.439 25953 298 1 1 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.617 -0.565 25953 299 1 1 . 1 1 586 586 ASN H H 586 8.830 8.830 9.206 -0.376 25953 300 1 1 . 1 1 587 587 THR N N 587 114.536 114.536 114.088 0.448 25953 301 1 1 . 1 1 587 587 THR HA H 587 5.482 5.482 5.319 0.163 25953 302 1 1 . 1 1 587 587 THR C C 587 171.882 171.882 173.119 -1.237 25953 303 1 1 . 1 1 587 587 THR CA C 587 63.252 63.252 61.672 1.580 25953 304 1 1 . 1 1 587 587 THR CB C 587 73.106 73.106 72.417 0.689 25953 305 1 1 . 1 1 587 587 THR H H 587 8.179 8.179 8.017 0.162 25953 306 1 1 . 1 1 588 588 ILE N N 588 120.751 120.751 120.873 -0.122 25953 307 1 1 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.451 -0.020 25953 308 1 1 . 1 1 588 588 ILE C C 588 171.550 171.550 172.496 -0.946 25953 309 1 1 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.856 -0.896 25953 310 1 1 . 1 1 588 588 ILE CB C 588 43.352 43.352 42.187 1.165 25953 311 1 1 . 1 1 588 588 ILE H H 588 8.984 8.984 8.981 0.003 25953 312 1 1 . 1 1 589 589 GLU N N 589 125.535 125.535 127.486 -1.951 25953 313 1 1 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.768 0.043 25953 314 1 1 . 1 1 589 589 GLU C C 589 175.587 175.587 174.776 0.811 25953 315 1 1 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.156 0.005 25953 316 1 1 . 1 1 589 589 GLU CB C 589 31.623 31.623 32.340 -0.717 25953 317 1 1 . 1 1 589 589 GLU H H 589 8.337 8.337 8.173 0.164 25953 318 1 1 . 1 1 590 590 VAL N N 590 126.684 126.684 125.900 0.784 25953 319 1 1 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.345 -0.358 25953 320 1 1 . 1 1 590 590 VAL C C 590 176.078 176.078 175.999 0.079 25953 321 1 1 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.583 0.991 25953 322 1 1 . 1 1 590 590 VAL CB C 590 33.828 33.828 33.896 -0.068 25953 323 1 1 . 1 1 590 590 VAL H H 590 9.013 9.013 8.959 0.054 25953 324 1 1 . 1 1 591 591 ASN N N 591 127.075 127.075 126.209 0.866 25953 325 1 1 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.369 -0.066 25953 326 1 1 . 1 1 591 591 ASN C C 591 175.223 175.223 175.475 -0.252 25953 327 1 1 . 1 1 591 591 ASN CA C 591 54.048 54.048 55.375 -1.327 25953 328 1 1 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.298 -0.529 25953 329 1 1 . 1 1 591 591 ASN H H 591 9.347 9.347 9.198 0.149 25953 330 1 1 . 1 1 592 592 GLY N N 592 104.628 104.628 106.770 -2.142 25953 331 1 1 . 1 1 592 592 GLY C C 592 172.842 172.842 173.111 -0.269 25953 332 1 1 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.963 0.318 25953 333 1 1 . 1 1 592 592 GLY H H 592 8.990 8.990 8.036 0.954 25953 334 1 1 . 1 1 593 593 LYS N N 593 120.387 120.387 120.562 -0.175 25953 335 1 1 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.693 -0.506 25953 336 1 1 . 1 1 593 593 LYS C C 593 173.344 173.344 174.404 -1.060 25953 337 1 1 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.330 -0.191 25953 338 1 1 . 1 1 593 593 LYS CB C 593 34.946 34.946 36.519 -1.573 25953 339 1 1 . 1 1 593 593 LYS H H 593 7.485 7.485 7.984 -0.499 25953 340 1 1 . 1 1 594 594 TYR N N 594 119.730 119.730 119.400 0.330 25953 341 1 1 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.783 0.048 25953 342 1 1 . 1 1 594 594 TYR C C 594 173.851 173.851 175.598 -1.747 25953 343 1 1 . 1 1 594 594 TYR CA C 594 56.928 56.928 58.241 -1.313 25953 344 1 1 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.057 -2.483 25953 345 1 1 . 1 1 594 594 TYR H H 594 7.092 7.092 8.171 -1.079 25953 346 1 1 . 1 1 595 595 PHE N N 595 116.435 116.435 117.149 -0.714 25953 347 1 1 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.748 0.290 25953 348 1 1 . 1 1 595 595 PHE C C 595 177.013 177.013 174.022 2.991 25953 349 1 1 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.072 -1.544 25953 350 1 1 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.221 1.177 25953 351 1 1 . 1 1 595 595 PHE H H 595 8.459 8.459 8.881 -0.422 25953 352 1 1 . 1 1 596 596 N N 596 118.187 118.187 10000.600 -9882.410 25953 353 1 1 . 1 1 596 596 HA H 596 6.064 6.064 9999.650 -9993.590 25953 354 1 1 . 1 1 596 596 CA C 596 58.668 58.668 9998.410 -9939.740 25953 355 1 1 . 1 1 596 596 CB C 596 32.486 32.486 10000.900 -9968.410 25953 356 1 1 . 1 1 596 596 H H 596 9.113 9.113 9999.860 -9990.750 25953 357 1 1 . 1 1 597 597 SER N N 597 118.403 118.403 121.131 -2.728 25953 358 1 1 . 1 1 597 597 SER HA H 597 4.798 4.798 4.255 0.543 25953 359 1 1 . 1 1 597 597 SER C C 597 179.336 179.336 176.648 2.688 25953 360 1 1 . 1 1 597 597 SER CA C 597 60.633 60.633 62.185 -1.552 25953 361 1 1 . 1 1 597 597 SER CB C 597 62.965 62.965 63.433 -0.468 25953 362 1 1 . 1 1 597 597 SER H H 597 8.110 8.110 8.942 -0.832 25953 363 1 1 . 1 1 598 598 THR N N 598 111.927 111.927 116.548 -4.621 25953 364 1 1 . 1 1 598 598 THR HA H 598 3.991 3.991 4.247 -0.256 25953 365 1 1 . 1 1 598 598 THR C C 598 178.244 178.244 176.211 2.033 25953 366 1 1 . 1 1 598 598 THR CA C 598 64.766 64.766 65.124 -0.357 25953 367 1 1 . 1 1 598 598 THR CB C 598 67.467 67.467 68.239 -0.772 25953 368 1 1 . 1 1 598 598 THR H H 598 9.120 9.120 8.611 0.509 25953 369 1 1 . 1 1 599 599 N N 599 117.596 117.596 10000.300 -9882.700 25953 370 1 1 . 1 1 599 599 HA H 599 4.055 4.055 9998.910 -9994.860 25953 371 1 1 . 1 1 599 599 C C 599 177.266 177.266 10000.800 -9823.530 25953 372 1 1 . 1 1 599 599 CA C 599 63.602 63.602 10002.700 -9939.100 25953 373 1 1 . 1 1 599 599 CB C 599 30.014 30.014 9997.300 -9967.290 25953 374 1 1 . 1 1 599 599 H H 599 6.935 6.935 9998.920 -9991.990 25953 375 1 1 . 1 1 600 600 TYR N N 600 119.532 119.532 120.442 -0.910 25953 376 1 1 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.010 -0.413 25953 377 1 1 . 1 1 600 600 TYR C C 600 177.533 177.533 176.971 0.562 25953 378 1 1 . 1 1 600 600 TYR CA C 600 62.134 62.134 60.877 1.257 25953 379 1 1 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.184 1.237 25953 380 1 1 . 1 1 600 600 TYR H H 600 8.396 8.396 8.706 -0.310 25953 381 1 1 . 1 1 601 601 N N 601 117.457 117.457 9997.500 -9880.040 25953 382 1 1 . 1 1 601 601 HA H 601 4.126 4.126 9998.610 -9994.480 25953 383 1 1 . 1 1 601 601 CA C 601 60.119 60.119 10001.800 -9941.680 25953 384 1 1 . 1 1 601 601 CB C 601 29.903 29.903 9999.340 -9969.440 25953 385 1 1 . 1 1 601 601 H H 601 8.417 8.417 9998.940 -9990.520 25953 386 1 1 . 1 1 602 602 GLU N N 602 118.228 118.228 118.538 -0.310 25953 387 1 1 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.148 -0.067 25953 388 1 1 . 1 1 602 602 GLU C C 602 177.912 177.912 177.803 0.109 25953 389 1 1 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.003 0.157 25953 390 1 1 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.055 -0.322 25953 391 1 1 . 1 1 602 602 GLU H H 602 8.094 8.094 7.903 0.191 25953 392 1 1 . 1 1 603 603 THR N N 603 111.252 111.252 118.866 -7.614 25953 393 1 1 . 1 1 603 603 THR HA H 603 4.265 4.265 4.280 -0.015 25953 394 1 1 . 1 1 603 603 THR C C 603 175.279 175.279 173.578 1.701 25953 395 1 1 . 1 1 603 603 THR CA C 603 63.116 63.116 61.524 1.592 25953 396 1 1 . 1 1 603 603 THR CB C 603 69.801 69.801 67.637 2.164 25953 397 1 1 . 1 1 603 603 THR H H 603 7.578 7.578 7.924 -0.346 25953 398 1 1 . 1 1 604 604 SER N N 604 117.291 117.291 117.320 -0.029 25953 399 1 1 . 1 1 604 604 SER HA H 604 4.221 4.221 3.682 0.539 25953 400 1 1 . 1 1 604 604 SER C C 604 174.838 174.838 174.120 0.718 25953 401 1 1 . 1 1 604 604 SER CA C 604 59.105 59.105 57.858 1.247 25953 402 1 1 . 1 1 604 604 SER CB C 604 63.387 63.387 63.670 -0.283 25953 403 1 1 . 1 1 604 604 SER H H 604 7.849 7.849 7.519 0.330 25953 404 1 1 . 1 1 605 605 GLN N N 605 120.747 120.747 121.998 -1.251 25953 405 1 1 . 1 1 605 605 GLN C C 605 175.801 175.801 174.880 0.921 25953 406 1 1 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.184 0.896 25953 407 1 1 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.876 -1.950 25953 408 1 1 . 1 1 605 605 GLN H H 605 7.971 7.971 8.361 -0.390 25953 409 1 2 . 1 1 535 535 SER HA H 535 4.465 4.465 4.533 -0.068 25953 410 1 2 . 1 1 535 535 SER C C 535 174.718 174.718 172.973 1.745 25953 411 1 2 . 1 1 535 535 SER CA C 535 58.323 58.323 57.622 0.701 25953 412 1 2 . 1 1 535 535 SER CB C 535 63.845 63.845 64.371 -0.526 25953 413 1 2 . 1 1 536 536 GLU N N 536 122.899 122.899 122.020 0.879 25953 414 1 2 . 1 1 536 536 GLU HA H 536 4.201 4.201 3.952 0.249 25953 415 1 2 . 1 1 536 536 GLU C C 536 176.241 176.241 176.392 -0.151 25953 416 1 2 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.380 0.697 25953 417 1 2 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.015 -0.183 25953 418 1 2 . 1 1 536 536 GLU H H 536 8.638 8.638 8.438 0.200 25953 419 1 2 . 1 1 537 537 PHE N N 537 120.390 120.390 120.369 0.021 25953 420 1 2 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.394 0.247 25953 421 1 2 . 1 1 537 537 PHE C C 537 176.005 176.005 176.032 -0.027 25953 422 1 2 . 1 1 537 537 PHE CA C 537 57.804 57.804 59.230 -1.426 25953 423 1 2 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.211 0.240 25953 424 1 2 . 1 1 537 537 PHE H H 537 8.266 8.266 8.110 0.156 25953 425 1 2 . 1 1 538 538 SER N N 538 117.148 117.148 113.906 3.242 25953 426 1 2 . 1 1 538 538 SER HA H 538 4.399 4.399 4.673 -0.274 25953 427 1 2 . 1 1 538 538 SER C C 538 174.167 174.167 172.660 1.507 25953 428 1 2 . 1 1 538 538 SER CA C 538 58.437 58.437 57.550 0.887 25953 429 1 2 . 1 1 538 538 SER CB C 538 63.956 63.956 66.010 -2.054 25953 430 1 2 . 1 1 538 538 SER H H 538 8.194 8.194 7.617 0.577 25953 431 1 2 . 1 1 539 539 ASP N N 539 122.404 122.404 123.005 -0.601 25953 432 1 2 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.730 -0.144 25953 433 1 2 . 1 1 539 539 ASP C C 539 176.496 176.496 177.329 -0.833 25953 434 1 2 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.760 -0.289 25953 435 1 2 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.231 -0.210 25953 436 1 2 . 1 1 539 539 ASP H H 539 8.333 8.333 8.491 -0.158 25953 437 1 2 . 1 1 540 540 ARG N N 540 121.337 121.337 126.082 -4.745 25953 438 1 2 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.286 0.077 25953 439 1 2 . 1 1 540 540 ARG C C 540 176.889 176.889 176.136 0.753 25953 440 1 2 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.856 0.550 25953 441 1 2 . 1 1 540 540 ARG CB C 540 30.365 30.365 28.436 1.929 25953 442 1 2 . 1 1 540 540 ARG H H 540 8.293 8.293 8.486 -0.193 25953 443 1 2 . 1 1 541 541 SER N N 541 116.606 116.606 116.844 -0.238 25953 444 1 2 . 1 1 541 541 SER HA H 541 4.319 4.319 4.510 -0.191 25953 445 1 2 . 1 1 541 541 SER C C 541 175.060 175.060 175.620 -0.560 25953 446 1 2 . 1 1 541 541 SER CA C 541 59.655 59.655 57.489 2.166 25953 447 1 2 . 1 1 541 541 SER CB C 541 63.417 63.417 64.540 -1.123 25953 448 1 2 . 1 1 541 541 SER H H 541 8.369 8.369 8.037 0.332 25953 449 1 2 . 1 1 542 542 ASN N N 542 120.759 120.759 118.963 1.796 25953 450 1 2 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.471 0.229 25953 451 1 2 . 1 1 542 542 ASN C C 542 175.903 175.903 177.098 -1.195 25953 452 1 2 . 1 1 542 542 ASN CA C 542 53.788 53.788 56.086 -2.297 25953 453 1 2 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.247 0.481 25953 454 1 2 . 1 1 542 542 ASN H H 542 8.451 8.451 8.840 -0.389 25953 455 1 2 . 1 1 543 543 GLU N N 543 120.886 120.886 120.588 0.298 25953 456 1 2 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.066 -0.075 25953 457 1 2 . 1 1 543 543 GLU C C 543 177.658 177.658 178.148 -0.490 25953 458 1 2 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.122 -0.333 25953 459 1 2 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.346 0.408 25953 460 1 2 . 1 1 543 543 GLU H H 543 8.257 8.257 7.869 0.388 25953 461 1 2 . 1 1 544 544 LEU N N 544 119.978 119.978 118.707 1.271 25953 462 1 2 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.112 -0.025 25953 463 1 2 . 1 1 544 544 LEU C C 544 179.340 179.340 179.370 -0.030 25953 464 1 2 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.947 -0.748 25953 465 1 2 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.066 0.545 25953 466 1 2 . 1 1 544 544 LEU H H 544 8.104 8.104 7.629 0.475 25953 467 1 2 . 1 1 545 545 GLU N N 545 120.432 120.432 119.511 0.921 25953 468 1 2 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.155 -0.095 25953 469 1 2 . 1 1 545 545 GLU C C 545 178.371 178.371 178.545 -0.174 25953 470 1 2 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.186 -0.943 25953 471 1 2 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.599 -0.034 25953 472 1 2 . 1 1 545 545 GLU H H 545 7.995 7.995 7.533 0.462 25953 473 1 2 . 1 1 546 546 ILE N N 546 119.751 119.751 118.091 1.660 25953 474 1 2 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.856 -0.232 25953 475 1 2 . 1 1 546 546 ILE C C 546 178.857 178.857 178.180 0.677 25953 476 1 2 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.426 0.413 25953 477 1 2 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.495 0.159 25953 478 1 2 . 1 1 546 546 ILE H H 546 7.828 7.828 8.119 -0.291 25953 479 1 2 . 1 1 547 547 ARG N N 547 120.304 120.304 119.335 0.969 25953 480 1 2 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.479 -0.122 25953 481 1 2 . 1 1 547 547 ARG C C 547 176.842 176.842 178.546 -1.704 25953 482 1 2 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.594 -0.719 25953 483 1 2 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.184 0.276 25953 484 1 2 . 1 1 547 547 ARG H H 547 8.313 8.313 7.933 0.380 25953 485 1 2 . 1 1 548 548 GLY N N 548 104.777 104.777 106.141 -1.364 25953 486 1 2 . 1 1 548 548 GLY C C 548 175.105 175.105 174.305 0.800 25953 487 1 2 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.007 0.453 25953 488 1 2 . 1 1 548 548 GLY H H 548 7.823 7.823 7.725 0.098 25953 489 1 2 . 1 1 549 549 LYS N N 549 122.134 122.134 122.666 -0.532 25953 490 1 2 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.540 -0.163 25953 491 1 2 . 1 1 549 549 LYS C C 549 175.156 175.156 175.334 -0.178 25953 492 1 2 . 1 1 549 549 LYS CA C 549 57.373 57.373 55.154 2.219 25953 493 1 2 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.499 -0.352 25953 494 1 2 . 1 1 549 549 LYS H H 549 7.257 7.257 7.376 -0.119 25953 495 1 2 . 1 1 550 550 TYR N N 550 117.482 117.482 118.329 -0.847 25953 496 1 2 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.659 0.099 25953 497 1 2 . 1 1 550 550 TYR C C 550 174.650 174.650 174.028 0.622 25953 498 1 2 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.206 -0.176 25953 499 1 2 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.603 0.624 25953 500 1 2 . 1 1 550 550 TYR H H 550 8.108 8.108 8.063 0.045 25953 501 1 2 . 1 1 551 551 VAL N N 551 117.964 117.964 120.139 -2.175 25953 502 1 2 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.390 0.069 25953 503 1 2 . 1 1 551 551 VAL C C 551 174.974 174.974 174.332 0.642 25953 504 1 2 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.342 -1.304 25953 505 1 2 . 1 1 551 551 VAL CB C 551 36.793 36.793 36.825 -0.033 25953 506 1 2 . 1 1 551 551 VAL H H 551 8.549 8.549 8.493 0.056 25953 507 1 2 . 1 1 552 552 VAL N N 552 126.679 126.679 126.432 0.247 25953 508 1 2 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.540 -0.381 25953 509 1 2 . 1 1 552 552 VAL C C 552 175.545 175.545 174.990 0.555 25953 510 1 2 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.245 0.907 25953 511 1 2 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.401 -0.444 25953 512 1 2 . 1 1 552 552 VAL H H 552 8.642 8.642 8.370 0.272 25953 513 1 2 . 1 1 553 553 VAL N N 553 129.744 129.744 128.222 1.522 25953 514 1 2 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.352 -1.893 25953 515 1 2 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.847 3.321 25953 516 1 2 . 1 1 553 553 VAL CB C 553 31.384 31.384 34.737 -3.353 25953 517 1 2 . 1 1 553 553 VAL H H 553 8.341 8.341 8.500 -0.159 25953 518 1 2 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.861 -0.473 25953 519 1 2 . 1 1 554 554 PRO C C 554 178.374 178.374 177.661 0.713 25953 520 1 2 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.316 0.259 25953 521 1 2 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.733 0.022 25953 522 1 2 . 1 1 555 555 GLU N N 555 122.440 122.440 122.619 -0.179 25953 523 1 2 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.621 0.433 25953 524 1 2 . 1 1 555 555 GLU C C 555 176.757 176.757 176.716 0.041 25953 525 1 2 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.580 -1.079 25953 526 1 2 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.191 0.223 25953 527 1 2 . 1 1 555 555 GLU H H 555 8.904 8.904 8.945 -0.041 25953 528 1 2 . 1 1 556 556 THR N N 556 104.703 104.703 106.051 -1.348 25953 529 1 2 . 1 1 556 556 THR HA H 556 4.152 4.152 4.245 -0.093 25953 530 1 2 . 1 1 556 556 THR C C 556 175.161 175.161 175.022 0.139 25953 531 1 2 . 1 1 556 556 THR CA C 556 61.379 61.379 62.237 -0.858 25953 532 1 2 . 1 1 556 556 THR CB C 556 68.976 68.976 68.420 0.556 25953 533 1 2 . 1 1 556 556 THR H H 556 7.160 7.160 7.807 -0.647 25953 534 1 2 . 1 1 557 557 SER N N 557 116.705 116.705 118.805 -2.100 25953 535 1 2 . 1 1 557 557 SER HA H 557 4.529 4.529 4.375 0.154 25953 536 1 2 . 1 1 557 557 SER C C 557 175.325 175.325 173.459 1.866 25953 537 1 2 . 1 1 557 557 SER CA C 557 58.036 58.036 58.084 -0.048 25953 538 1 2 . 1 1 557 557 SER CB C 557 63.214 63.214 62.570 0.644 25953 539 1 2 . 1 1 557 557 SER H H 557 7.405 7.405 7.508 -0.103 25953 540 1 2 . 1 1 558 558 GLN N N 558 127.356 127.356 125.901 1.455 25953 541 1 2 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.998 0.171 25953 542 1 2 . 1 1 558 558 GLN C C 558 176.491 176.491 174.754 1.737 25953 543 1 2 . 1 1 558 558 GLN CA C 558 57.594 57.594 57.180 0.414 25953 544 1 2 . 1 1 558 558 GLN CB C 558 28.773 28.773 27.744 1.029 25953 545 1 2 . 1 1 558 558 GLN H H 558 8.915 8.915 8.176 0.739 25953 546 1 2 . 1 1 559 559 ASP N N 559 116.840 116.840 114.891 1.949 25953 547 1 2 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.208 0.277 25953 548 1 2 . 1 1 559 559 ASP C C 559 175.554 175.554 175.835 -0.281 25953 549 1 2 . 1 1 559 559 ASP CA C 559 53.203 53.203 55.098 -1.895 25953 550 1 2 . 1 1 559 559 ASP CB C 559 40.526 40.526 39.259 1.267 25953 551 1 2 . 1 1 559 559 ASP H H 559 8.275 8.275 8.885 -0.610 25953 552 1 2 . 1 1 560 560 MET N N 560 112.866 112.866 110.446 2.420 25953 553 1 2 . 1 1 560 560 MET HA H 560 3.899 3.899 3.853 0.046 25953 554 1 2 . 1 1 560 560 MET C C 560 175.044 175.044 174.576 0.468 25953 555 1 2 . 1 1 560 560 MET CA C 560 56.400 56.400 56.490 -0.090 25953 556 1 2 . 1 1 560 560 MET CB C 560 30.933 30.933 29.571 1.362 25953 557 1 2 . 1 1 560 560 MET H H 560 7.935 7.935 7.732 0.203 25953 558 1 2 . 1 1 561 561 ALA N N 561 122.207 122.207 119.297 2.910 25953 559 1 2 . 1 1 561 561 ALA HA H 561 5.911 5.911 6.044 -0.133 25953 560 1 2 . 1 1 561 561 ALA C C 561 176.577 176.577 175.728 0.849 25953 561 1 2 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.317 -0.340 25953 562 1 2 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.802 0.485 25953 563 1 2 . 1 1 561 561 ALA H H 561 7.910 7.910 7.704 0.206 25953 564 1 2 . 1 1 562 562 PHE N N 562 117.027 117.027 123.715 -6.688 25953 565 1 2 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.667 -0.031 25953 566 1 2 . 1 1 562 562 PHE C C 562 170.988 170.988 173.797 -2.809 25953 567 1 2 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.033 -0.804 25953 568 1 2 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.827 -2.781 25953 569 1 2 . 1 1 562 562 PHE H H 562 8.075 8.075 8.676 -0.601 25953 570 1 2 . 1 1 563 563 LYS N N 563 120.420 120.420 125.149 -4.729 25953 571 1 2 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.667 -0.167 25953 572 1 2 . 1 1 563 563 LYS C C 563 176.093 176.093 175.735 0.358 25953 573 1 2 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.070 -1.268 25953 574 1 2 . 1 1 563 563 LYS CB C 563 33.679 33.679 33.396 0.283 25953 575 1 2 . 1 1 563 563 LYS H H 563 8.392 8.392 7.469 0.923 25953 576 1 2 . 1 1 564 564 N N 564 132.535 132.535 10007.800 -9875.260 25953 577 1 2 . 1 1 564 564 HA H 564 4.639 4.639 9999.170 -9994.530 25953 578 1 2 . 1 1 564 564 C C 564 175.820 175.820 9997.940 -9822.120 25953 579 1 2 . 1 1 564 564 CA C 564 57.545 57.545 9995.710 -9938.170 25953 580 1 2 . 1 1 564 564 CB C 564 30.650 30.650 9998.380 -9967.730 25953 581 1 2 . 1 1 564 564 H H 564 8.456 8.456 9999.470 -9991.010 25953 582 1 2 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.379 0.001 25953 583 1 2 . 1 1 565 565 PRO C C 565 177.300 177.300 176.933 0.367 25953 584 1 2 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.854 -0.461 25953 585 1 2 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.691 1.314 25953 586 1 2 . 1 1 566 566 ILE N N 566 118.529 118.529 119.069 -0.540 25953 587 1 2 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.973 0.158 25953 588 1 2 . 1 1 566 566 ILE C C 566 176.361 176.361 177.509 -1.148 25953 589 1 2 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.722 -0.023 25953 590 1 2 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.394 0.403 25953 591 1 2 . 1 1 566 566 ILE H H 566 8.528 8.528 8.115 0.413 25953 592 1 2 . 1 1 567 567 N N 567 116.646 116.646 9994.160 -9877.510 25953 593 1 2 . 1 1 567 567 HA H 567 4.932 4.932 9999.440 -9994.510 25953 594 1 2 . 1 1 567 567 C C 567 176.175 176.175 9998.780 -9822.610 25953 595 1 2 . 1 1 567 567 CA C 567 58.801 58.801 9997.440 -9938.640 25953 596 1 2 . 1 1 567 567 CB C 567 31.243 31.243 10000.500 -9969.260 25953 597 1 2 . 1 1 567 567 H H 567 7.770 7.770 9998.740 -9990.970 25953 598 1 2 . 1 1 568 568 LYS N N 568 116.867 116.867 119.103 -2.236 25953 599 1 2 . 1 1 568 568 LYS HA H 568 4.015 4.015 3.966 0.049 25953 600 1 2 . 1 1 568 568 LYS C C 568 175.290 175.290 175.475 -0.185 25953 601 1 2 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.625 0.249 25953 602 1 2 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.693 -1.058 25953 603 1 2 . 1 1 568 568 LYS H H 568 8.038 8.038 7.972 0.066 25953 604 1 2 . 1 1 569 569 GLU N N 569 120.683 120.683 118.543 2.140 25953 605 1 2 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.605 -0.133 25953 606 1 2 . 1 1 569 569 GLU C C 569 175.851 175.851 176.148 -0.297 25953 607 1 2 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.963 1.238 25953 608 1 2 . 1 1 569 569 GLU CB C 569 31.343 31.343 33.026 -1.683 25953 609 1 2 . 1 1 569 569 GLU H H 569 8.380 8.380 7.710 0.670 25953 610 1 2 . 1 1 570 570 THR N N 570 118.082 118.082 118.260 -0.178 25953 611 1 2 . 1 1 570 570 THR HA H 570 4.378 4.378 4.881 -0.503 25953 612 1 2 . 1 1 570 570 THR C C 570 174.070 174.070 174.445 -0.375 25953 613 1 2 . 1 1 570 570 THR CA C 570 63.174 63.174 62.495 0.679 25953 614 1 2 . 1 1 570 570 THR CB C 570 69.853 69.853 69.375 0.478 25953 615 1 2 . 1 1 570 570 THR H H 570 8.565 8.565 8.524 0.041 25953 616 1 2 . 1 1 571 571 VAL N N 571 132.533 132.533 127.655 4.878 25953 617 1 2 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.539 -0.668 25953 618 1 2 . 1 1 571 571 VAL C C 571 174.198 174.198 174.537 -0.339 25953 619 1 2 . 1 1 571 571 VAL CA C 571 62.070 62.070 61.130 0.940 25953 620 1 2 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.290 -1.360 25953 621 1 2 . 1 1 571 571 VAL H H 571 8.740 8.740 8.992 -0.252 25953 622 1 2 . 1 1 572 572 THR N N 572 116.229 116.229 120.198 -3.969 25953 623 1 2 . 1 1 572 572 THR HA H 572 5.243 5.243 5.253 -0.010 25953 624 1 2 . 1 1 572 572 THR C C 572 175.803 175.803 175.155 0.648 25953 625 1 2 . 1 1 572 572 THR CA C 572 60.095 60.095 60.097 -0.002 25953 626 1 2 . 1 1 572 572 THR CB C 572 70.889 70.889 71.583 -0.694 25953 627 1 2 . 1 1 572 572 THR H H 572 8.089 8.089 8.320 -0.232 25953 628 1 2 . 1 1 573 573 GLY N N 573 110.544 110.544 111.656 -1.112 25953 629 1 2 . 1 1 573 573 GLY C C 573 172.769 172.769 173.853 -1.084 25953 630 1 2 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.772 1.662 25953 631 1 2 . 1 1 573 573 GLY H H 573 8.871 8.871 8.585 0.286 25953 632 1 2 . 1 1 574 574 VAL N N 574 120.833 120.833 119.093 1.740 25953 633 1 2 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.691 0.136 25953 634 1 2 . 1 1 574 574 VAL C C 574 173.472 173.472 174.083 -0.611 25953 635 1 2 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.307 0.694 25953 636 1 2 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.714 -0.075 25953 637 1 2 . 1 1 574 574 VAL H H 574 9.473 9.473 8.824 0.649 25953 638 1 2 . 1 1 575 575 TYR N N 575 126.796 126.796 125.561 1.235 25953 639 1 2 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.820 -1.259 25953 640 1 2 . 1 1 575 575 TYR C C 575 174.622 174.622 175.129 -0.507 25953 641 1 2 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.761 -0.529 25953 642 1 2 . 1 1 575 575 TYR CB C 575 37.264 37.264 39.162 -1.898 25953 643 1 2 . 1 1 575 575 TYR H H 575 8.410 8.410 8.883 -0.473 25953 644 1 2 . 1 1 576 576 ASP N N 576 130.548 130.548 127.044 3.504 25953 645 1 2 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.469 -0.039 25953 646 1 2 . 1 1 576 576 ASP C C 576 174.399 174.399 175.510 -1.111 25953 647 1 2 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.610 -0.101 25953 648 1 2 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.446 -0.434 25953 649 1 2 . 1 1 576 576 ASP H H 576 8.228 8.228 8.331 -0.103 25953 650 1 2 . 1 1 577 577 GLU N N 577 125.178 125.178 124.556 0.622 25953 651 1 2 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.134 -0.555 25953 652 1 2 . 1 1 577 577 GLU C C 577 178.103 178.103 177.169 0.934 25953 653 1 2 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.476 1.231 25953 654 1 2 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.072 0.438 25953 655 1 2 . 1 1 577 577 GLU H H 577 8.480 8.480 8.635 -0.155 25953 656 1 2 . 1 1 578 578 GLU N N 578 117.933 117.933 120.574 -2.641 25953 657 1 2 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.289 -0.320 25953 658 1 2 . 1 1 578 578 GLU C C 578 177.632 177.632 177.748 -0.116 25953 659 1 2 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.728 1.311 25953 660 1 2 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.834 -0.448 25953 661 1 2 . 1 1 578 578 GLU H H 578 8.126 8.126 8.264 -0.138 25953 662 1 2 . 1 1 579 579 SER N N 579 111.483 111.483 112.333 -0.850 25953 663 1 2 . 1 1 579 579 SER HA H 579 4.343 4.343 4.483 -0.140 25953 664 1 2 . 1 1 579 579 SER C C 579 176.070 176.070 174.576 1.494 25953 665 1 2 . 1 1 579 579 SER CA C 579 58.557 58.557 57.966 0.591 25953 666 1 2 . 1 1 579 579 SER CB C 579 64.809 64.809 64.085 0.724 25953 667 1 2 . 1 1 579 579 SER H H 579 7.510 7.510 8.415 -0.905 25953 668 1 2 . 1 1 580 580 GLY N N 580 113.307 113.307 110.035 3.272 25953 669 1 2 . 1 1 580 580 GLY C C 580 173.600 173.600 173.999 -0.399 25953 670 1 2 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.048 1.058 25953 671 1 2 . 1 1 580 580 GLY H H 580 8.196 8.196 7.568 0.628 25953 672 1 2 . 1 1 581 581 GLU N N 581 116.623 116.623 118.131 -1.508 25953 673 1 2 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.465 0.240 25953 674 1 2 . 1 1 581 581 GLU C C 581 174.750 174.750 174.638 0.112 25953 675 1 2 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.833 0.036 25953 676 1 2 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.438 0.172 25953 677 1 2 . 1 1 581 581 GLU H H 581 6.994 6.994 7.863 -0.869 25953 678 1 2 . 1 1 582 582 TRP N N 582 122.364 122.364 117.668 4.696 25953 679 1 2 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.123 -0.322 25953 680 1 2 . 1 1 582 582 TRP C C 582 176.750 176.750 176.154 0.596 25953 681 1 2 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.550 0.483 25953 682 1 2 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.346 -2.489 25953 683 1 2 . 1 1 582 582 TRP H H 582 8.841 8.841 8.331 0.510 25953 684 1 2 . 1 1 583 583 VAL N N 583 115.147 115.147 119.097 -3.950 25953 685 1 2 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.875 0.241 25953 686 1 2 . 1 1 583 583 VAL C C 583 175.063 175.063 174.179 0.884 25953 687 1 2 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.912 -1.514 25953 688 1 2 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.984 -0.215 25953 689 1 2 . 1 1 583 583 VAL H H 583 9.440 9.440 9.315 0.125 25953 690 1 2 . 1 1 584 584 TRP N N 584 123.710 123.710 125.890 -2.180 25953 691 1 2 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.181 0.069 25953 692 1 2 . 1 1 584 584 TRP C C 584 176.436 176.436 175.362 1.074 25953 693 1 2 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.587 -0.186 25953 694 1 2 . 1 1 584 584 TRP CB C 584 28.443 28.443 29.378 -0.935 25953 695 1 2 . 1 1 584 584 TRP H H 584 9.295 9.295 9.284 0.011 25953 696 1 2 . 1 1 585 585 LYS N N 585 122.031 122.031 123.961 -1.930 25953 697 1 2 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.175 0.388 25953 698 1 2 . 1 1 585 585 LYS C C 585 178.886 178.886 177.708 1.178 25953 699 1 2 . 1 1 585 585 LYS CA C 585 56.313 56.313 58.030 -1.717 25953 700 1 2 . 1 1 585 585 LYS CB C 585 33.433 33.433 33.118 0.315 25953 701 1 2 . 1 1 585 585 LYS H H 585 8.689 8.689 8.680 0.009 25953 702 1 2 . 1 1 586 586 ASN N N 586 123.634 123.634 119.889 3.745 25953 703 1 2 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.549 0.354 25953 704 1 2 . 1 1 586 586 ASN C C 586 176.043 176.043 173.992 2.051 25953 705 1 2 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.597 0.105 25953 706 1 2 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.215 -0.163 25953 707 1 2 . 1 1 586 586 ASN H H 586 8.830 8.830 9.014 -0.184 25953 708 1 2 . 1 1 587 587 THR N N 587 114.536 114.536 113.834 0.702 25953 709 1 2 . 1 1 587 587 THR HA H 587 5.482 5.482 5.259 0.223 25953 710 1 2 . 1 1 587 587 THR C C 587 171.882 171.882 173.171 -1.289 25953 711 1 2 . 1 1 587 587 THR CA C 587 63.252 63.252 61.719 1.533 25953 712 1 2 . 1 1 587 587 THR CB C 587 73.106 73.106 72.108 0.998 25953 713 1 2 . 1 1 587 587 THR H H 587 8.179 8.179 8.205 -0.026 25953 714 1 2 . 1 1 588 588 ILE N N 588 120.751 120.751 122.168 -1.417 25953 715 1 2 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.463 -0.032 25953 716 1 2 . 1 1 588 588 ILE C C 588 171.550 171.550 172.725 -1.175 25953 717 1 2 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.467 -0.507 25953 718 1 2 . 1 1 588 588 ILE CB C 588 43.352 43.352 42.197 1.155 25953 719 1 2 . 1 1 588 588 ILE H H 588 8.984 8.984 9.016 -0.032 25953 720 1 2 . 1 1 589 589 GLU N N 589 125.535 125.535 128.212 -2.677 25953 721 1 2 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.941 -0.130 25953 722 1 2 . 1 1 589 589 GLU C C 589 175.587 175.587 174.987 0.600 25953 723 1 2 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.318 -0.157 25953 724 1 2 . 1 1 589 589 GLU CB C 589 31.623 31.623 32.137 -0.514 25953 725 1 2 . 1 1 589 589 GLU H H 589 8.337 8.337 8.231 0.106 25953 726 1 2 . 1 1 590 590 VAL N N 590 126.684 126.684 126.541 0.143 25953 727 1 2 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.362 -0.375 25953 728 1 2 . 1 1 590 590 VAL C C 590 176.078 176.078 176.018 0.060 25953 729 1 2 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.399 1.175 25953 730 1 2 . 1 1 590 590 VAL CB C 590 33.828 33.828 33.613 0.215 25953 731 1 2 . 1 1 590 590 VAL H H 590 9.013 9.013 9.124 -0.111 25953 732 1 2 . 1 1 591 591 ASN N N 591 127.075 127.075 126.510 0.565 25953 733 1 2 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.369 -0.066 25953 734 1 2 . 1 1 591 591 ASN C C 591 175.223 175.223 175.553 -0.330 25953 735 1 2 . 1 1 591 591 ASN CA C 591 54.048 54.048 55.443 -1.395 25953 736 1 2 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.396 -0.627 25953 737 1 2 . 1 1 591 591 ASN H H 591 9.347 9.347 9.285 0.062 25953 738 1 2 . 1 1 592 592 GLY N N 592 104.628 104.628 106.644 -2.016 25953 739 1 2 . 1 1 592 592 GLY C C 592 172.842 172.842 173.304 -0.462 25953 740 1 2 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.902 0.379 25953 741 1 2 . 1 1 592 592 GLY H H 592 8.990 8.990 8.111 0.879 25953 742 1 2 . 1 1 593 593 LYS N N 593 120.387 120.387 121.009 -0.622 25953 743 1 2 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.713 -0.526 25953 744 1 2 . 1 1 593 593 LYS C C 593 173.344 173.344 174.921 -1.577 25953 745 1 2 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.971 -0.832 25953 746 1 2 . 1 1 593 593 LYS CB C 593 34.946 34.946 35.945 -0.999 25953 747 1 2 . 1 1 593 593 LYS H H 593 7.485 7.485 8.019 -0.534 25953 748 1 2 . 1 1 594 594 TYR N N 594 119.730 119.730 119.872 -0.142 25953 749 1 2 . 1 1 594 594 TYR HA H 594 4.831 4.831 5.010 -0.179 25953 750 1 2 . 1 1 594 594 TYR C C 594 173.851 173.851 175.911 -2.060 25953 751 1 2 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.684 -0.756 25953 752 1 2 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.704 -3.130 25953 753 1 2 . 1 1 594 594 TYR H H 594 7.092 7.092 8.499 -1.407 25953 754 1 2 . 1 1 595 595 PHE N N 595 116.435 116.435 117.147 -0.712 25953 755 1 2 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.765 0.273 25953 756 1 2 . 1 1 595 595 PHE C C 595 177.013 177.013 174.045 2.968 25953 757 1 2 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.328 -1.800 25953 758 1 2 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.197 1.201 25953 759 1 2 . 1 1 595 595 PHE H H 595 8.459 8.459 8.874 -0.415 25953 760 1 2 . 1 1 596 596 N N 596 118.187 118.187 10002.200 -9884.010 25953 761 1 2 . 1 1 596 596 HA H 596 6.064 6.064 9999.550 -9993.490 25953 762 1 2 . 1 1 596 596 CA C 596 58.668 58.668 9999.010 -9940.340 25953 763 1 2 . 1 1 596 596 CB C 596 32.486 32.486 10000.600 -9968.110 25953 764 1 2 . 1 1 596 596 H H 596 9.113 9.113 9999.590 -9990.480 25953 765 1 2 . 1 1 597 597 SER N N 597 118.403 118.403 119.909 -1.506 25953 766 1 2 . 1 1 597 597 SER HA H 597 4.798 4.798 4.298 0.500 25953 767 1 2 . 1 1 597 597 SER C C 597 179.336 179.336 176.669 2.667 25953 768 1 2 . 1 1 597 597 SER CA C 597 60.633 60.633 61.781 -1.147 25953 769 1 2 . 1 1 597 597 SER CB C 597 62.965 62.965 63.363 -0.398 25953 770 1 2 . 1 1 597 597 SER H H 597 8.110 8.110 8.950 -0.840 25953 771 1 2 . 1 1 598 598 THR N N 598 111.927 111.927 116.996 -5.069 25953 772 1 2 . 1 1 598 598 THR HA H 598 3.991 3.991 4.259 -0.268 25953 773 1 2 . 1 1 598 598 THR C C 598 178.244 178.244 176.331 1.913 25953 774 1 2 . 1 1 598 598 THR CA C 598 64.766 64.766 65.472 -0.706 25953 775 1 2 . 1 1 598 598 THR CB C 598 67.467 67.467 68.222 -0.755 25953 776 1 2 . 1 1 598 598 THR H H 598 9.120 9.120 8.434 0.686 25953 777 1 2 . 1 1 599 599 N N 599 117.596 117.596 10000.600 -9883.000 25953 778 1 2 . 1 1 599 599 HA H 599 4.055 4.055 9998.990 -9994.940 25953 779 1 2 . 1 1 599 599 C C 599 177.266 177.266 10000.900 -9823.630 25953 780 1 2 . 1 1 599 599 CA C 599 63.602 63.602 10002.900 -9939.300 25953 781 1 2 . 1 1 599 599 CB C 599 30.014 30.014 9997.550 -9967.540 25953 782 1 2 . 1 1 599 599 H H 599 6.935 6.935 9998.610 -9991.680 25953 783 1 2 . 1 1 600 600 TYR N N 600 119.532 119.532 120.445 -0.913 25953 784 1 2 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.993 -0.396 25953 785 1 2 . 1 1 600 600 TYR C C 600 177.533 177.533 177.180 0.353 25953 786 1 2 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.599 0.535 25953 787 1 2 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.357 1.064 25953 788 1 2 . 1 1 600 600 TYR H H 600 8.396 8.396 8.645 -0.249 25953 789 1 2 . 1 1 601 601 N N 601 117.457 117.457 9998.170 -9880.710 25953 790 1 2 . 1 1 601 601 HA H 601 4.126 4.126 9998.720 -9994.590 25953 791 1 2 . 1 1 601 601 CA C 601 60.119 60.119 10001.900 -9941.780 25953 792 1 2 . 1 1 601 601 CB C 601 29.903 29.903 9999.200 -9969.300 25953 793 1 2 . 1 1 601 601 H H 601 8.417 8.417 9999.150 -9990.730 25953 794 1 2 . 1 1 602 602 GLU N N 602 118.228 118.228 117.316 0.912 25953 795 1 2 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.093 -0.012 25953 796 1 2 . 1 1 602 602 GLU C C 602 177.912 177.912 177.242 0.670 25953 797 1 2 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.884 0.276 25953 798 1 2 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.703 0.029 25953 799 1 2 . 1 1 602 602 GLU H H 602 8.094 8.094 8.162 -0.068 25953 800 1 2 . 1 1 603 603 THR N N 603 111.252 111.252 114.595 -3.343 25953 801 1 2 . 1 1 603 603 THR HA H 603 4.265 4.265 4.184 0.081 25953 802 1 2 . 1 1 603 603 THR C C 603 175.279 175.279 175.539 -0.260 25953 803 1 2 . 1 1 603 603 THR CA C 603 63.116 63.116 63.420 -0.305 25953 804 1 2 . 1 1 603 603 THR CB C 603 69.801 69.801 69.348 0.453 25953 805 1 2 . 1 1 603 603 THR H H 603 7.578 7.578 7.344 0.234 25953 806 1 2 . 1 1 604 604 SER N N 604 117.291 117.291 116.042 1.249 25953 807 1 2 . 1 1 604 604 SER HA H 604 4.221 4.221 3.849 0.372 25953 808 1 2 . 1 1 604 604 SER C C 604 174.838 174.838 173.053 1.785 25953 809 1 2 . 1 1 604 604 SER CA C 604 59.105 59.105 59.770 -0.666 25953 810 1 2 . 1 1 604 604 SER CB C 604 63.387 63.387 62.682 0.705 25953 811 1 2 . 1 1 604 604 SER H H 604 7.849 7.849 8.013 -0.164 25953 812 1 2 . 1 1 605 605 GLN N N 605 120.747 120.747 119.061 1.686 25953 813 1 2 . 1 1 605 605 GLN C C 605 175.801 175.801 174.551 1.250 25953 814 1 2 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.527 0.553 25953 815 1 2 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.509 -1.583 25953 816 1 2 . 1 1 605 605 GLN H H 605 7.971 7.971 7.849 0.122 25953 817 1 3 . 1 1 535 535 SER HA H 535 4.465 4.465 4.485 -0.020 25953 818 1 3 . 1 1 535 535 SER C C 535 174.718 174.718 174.543 0.175 25953 819 1 3 . 1 1 535 535 SER CA C 535 58.323 58.323 57.870 0.453 25953 820 1 3 . 1 1 535 535 SER CB C 535 63.845 63.845 64.029 -0.184 25953 821 1 3 . 1 1 536 536 GLU N N 536 122.899 122.899 122.175 0.724 25953 822 1 3 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.257 -0.056 25953 823 1 3 . 1 1 536 536 GLU C C 536 176.241 176.241 176.956 -0.715 25953 824 1 3 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.244 0.833 25953 825 1 3 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.779 0.053 25953 826 1 3 . 1 1 536 536 GLU H H 536 8.638 8.638 8.517 0.121 25953 827 1 3 . 1 1 537 537 PHE N N 537 120.390 120.390 119.788 0.602 25953 828 1 3 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.642 -0.001 25953 829 1 3 . 1 1 537 537 PHE C C 537 176.005 176.005 176.254 -0.249 25953 830 1 3 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.813 -0.009 25953 831 1 3 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.147 0.304 25953 832 1 3 . 1 1 537 537 PHE H H 537 8.266 8.266 8.175 0.091 25953 833 1 3 . 1 1 538 538 SER N N 538 117.148 117.148 116.175 0.973 25953 834 1 3 . 1 1 538 538 SER HA H 538 4.399 4.399 4.282 0.117 25953 835 1 3 . 1 1 538 538 SER C C 538 174.167 174.167 174.868 -0.701 25953 836 1 3 . 1 1 538 538 SER CA C 538 58.437 58.437 57.151 1.286 25953 837 1 3 . 1 1 538 538 SER CB C 538 63.956 63.956 63.694 0.262 25953 838 1 3 . 1 1 538 538 SER H H 538 8.194 8.194 7.436 0.758 25953 839 1 3 . 1 1 539 539 ASP N N 539 122.404 122.404 121.742 0.662 25953 840 1 3 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.569 0.017 25953 841 1 3 . 1 1 539 539 ASP C C 539 176.496 176.496 175.392 1.104 25953 842 1 3 . 1 1 539 539 ASP CA C 539 54.471 54.471 55.464 -0.993 25953 843 1 3 . 1 1 539 539 ASP CB C 539 41.021 41.021 40.619 0.402 25953 844 1 3 . 1 1 539 539 ASP H H 539 8.333 8.333 8.460 -0.127 25953 845 1 3 . 1 1 540 540 ARG N N 540 121.337 121.337 121.944 -0.607 25953 846 1 3 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.571 -0.208 25953 847 1 3 . 1 1 540 540 ARG C C 540 176.889 176.889 174.736 2.153 25953 848 1 3 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.046 1.360 25953 849 1 3 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.985 -0.621 25953 850 1 3 . 1 1 540 540 ARG H H 540 8.293 8.293 7.971 0.322 25953 851 1 3 . 1 1 541 541 SER N N 541 116.606 116.606 116.086 0.520 25953 852 1 3 . 1 1 541 541 SER HA H 541 4.319 4.319 4.560 -0.241 25953 853 1 3 . 1 1 541 541 SER C C 541 175.060 175.060 174.428 0.632 25953 854 1 3 . 1 1 541 541 SER CA C 541 59.655 59.655 57.887 1.768 25953 855 1 3 . 1 1 541 541 SER CB C 541 63.417 63.417 64.042 -0.625 25953 856 1 3 . 1 1 541 541 SER H H 541 8.369 8.369 8.229 0.140 25953 857 1 3 . 1 1 542 542 ASN N N 542 120.759 120.759 119.989 0.770 25953 858 1 3 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.811 -0.111 25953 859 1 3 . 1 1 542 542 ASN C C 542 175.903 175.903 176.157 -0.254 25953 860 1 3 . 1 1 542 542 ASN CA C 542 53.788 53.788 53.123 0.665 25953 861 1 3 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.297 0.431 25953 862 1 3 . 1 1 542 542 ASN H H 542 8.451 8.451 8.765 -0.314 25953 863 1 3 . 1 1 543 543 GLU N N 543 120.886 120.886 122.171 -1.285 25953 864 1 3 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.070 -0.079 25953 865 1 3 . 1 1 543 543 GLU C C 543 177.658 177.658 177.895 -0.237 25953 866 1 3 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.530 -0.741 25953 867 1 3 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.600 0.154 25953 868 1 3 . 1 1 543 543 GLU H H 543 8.257 8.257 8.311 -0.054 25953 869 1 3 . 1 1 544 544 LEU N N 544 119.978 119.978 118.398 1.580 25953 870 1 3 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.205 -0.118 25953 871 1 3 . 1 1 544 544 LEU C C 544 179.340 179.340 178.919 0.421 25953 872 1 3 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.596 0.602 25953 873 1 3 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.783 -0.173 25953 874 1 3 . 1 1 544 544 LEU H H 544 8.104 8.104 8.279 -0.175 25953 875 1 3 . 1 1 545 545 GLU N N 545 120.432 120.432 120.572 -0.140 25953 876 1 3 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.116 -0.056 25953 877 1 3 . 1 1 545 545 GLU C C 545 178.371 178.371 179.116 -0.745 25953 878 1 3 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.242 -0.999 25953 879 1 3 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.690 -0.125 25953 880 1 3 . 1 1 545 545 GLU H H 545 7.995 7.995 7.796 0.199 25953 881 1 3 . 1 1 546 546 ILE N N 546 119.751 119.751 118.205 1.546 25953 882 1 3 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.868 -0.244 25953 883 1 3 . 1 1 546 546 ILE C C 546 178.857 178.857 178.246 0.611 25953 884 1 3 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.155 0.684 25953 885 1 3 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.877 0.777 25953 886 1 3 . 1 1 546 546 ILE H H 546 7.828 7.828 8.086 -0.258 25953 887 1 3 . 1 1 547 547 ARG N N 547 120.304 120.304 118.351 1.953 25953 888 1 3 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.210 0.147 25953 889 1 3 . 1 1 547 547 ARG C C 547 176.842 176.842 177.632 -0.790 25953 890 1 3 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.127 -0.252 25953 891 1 3 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.007 0.453 25953 892 1 3 . 1 1 547 547 ARG H H 547 8.313 8.313 8.204 0.109 25953 893 1 3 . 1 1 548 548 GLY N N 548 104.777 104.777 105.708 -0.931 25953 894 1 3 . 1 1 548 548 GLY C C 548 175.105 175.105 174.577 0.528 25953 895 1 3 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.931 0.529 25953 896 1 3 . 1 1 548 548 GLY H H 548 7.823 7.823 7.576 0.247 25953 897 1 3 . 1 1 549 549 LYS N N 549 122.134 122.134 122.742 -0.608 25953 898 1 3 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.509 -0.132 25953 899 1 3 . 1 1 549 549 LYS C C 549 175.156 175.156 175.242 -0.086 25953 900 1 3 . 1 1 549 549 LYS CA C 549 57.373 57.373 55.018 2.355 25953 901 1 3 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.564 -0.417 25953 902 1 3 . 1 1 549 549 LYS H H 549 7.257 7.257 7.418 -0.161 25953 903 1 3 . 1 1 550 550 TYR N N 550 117.482 117.482 118.524 -1.042 25953 904 1 3 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.628 0.130 25953 905 1 3 . 1 1 550 550 TYR C C 550 174.650 174.650 174.139 0.511 25953 906 1 3 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.429 -0.399 25953 907 1 3 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.730 0.497 25953 908 1 3 . 1 1 550 550 TYR H H 550 8.108 8.108 7.922 0.186 25953 909 1 3 . 1 1 551 551 VAL N N 551 117.964 117.964 118.641 -0.677 25953 910 1 3 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.470 -0.011 25953 911 1 3 . 1 1 551 551 VAL C C 551 174.974 174.974 174.669 0.305 25953 912 1 3 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.449 -1.411 25953 913 1 3 . 1 1 551 551 VAL CB C 551 36.793 36.793 37.457 -0.664 25953 914 1 3 . 1 1 551 551 VAL H H 551 8.549 8.549 8.543 0.006 25953 915 1 3 . 1 1 552 552 VAL N N 552 126.679 126.679 126.645 0.034 25953 916 1 3 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.412 -0.253 25953 917 1 3 . 1 1 552 552 VAL C C 552 175.545 175.545 175.437 0.108 25953 918 1 3 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.369 0.783 25953 919 1 3 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.426 -0.468 25953 920 1 3 . 1 1 552 552 VAL H H 552 8.642 8.642 8.468 0.174 25953 921 1 3 . 1 1 553 553 VAL N N 553 129.744 129.744 128.659 1.085 25953 922 1 3 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.154 -1.695 25953 923 1 3 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.034 3.134 25953 924 1 3 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.328 -1.944 25953 925 1 3 . 1 1 553 553 VAL H H 553 8.341 8.341 8.422 -0.081 25953 926 1 3 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.454 -0.066 25953 927 1 3 . 1 1 554 554 PRO C C 554 178.374 178.374 177.163 1.211 25953 928 1 3 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.767 -0.191 25953 929 1 3 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.362 0.393 25953 930 1 3 . 1 1 555 555 GLU N N 555 122.440 122.440 122.477 -0.037 25953 931 1 3 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.910 0.144 25953 932 1 3 . 1 1 555 555 GLU C C 555 176.757 176.757 176.583 0.174 25953 933 1 3 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.813 -0.312 25953 934 1 3 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.401 0.012 25953 935 1 3 . 1 1 555 555 GLU H H 555 8.904 8.904 8.741 0.163 25953 936 1 3 . 1 1 556 556 THR N N 556 104.703 104.703 107.111 -2.408 25953 937 1 3 . 1 1 556 556 THR HA H 556 4.152 4.152 4.130 0.022 25953 938 1 3 . 1 1 556 556 THR C C 556 175.161 175.161 174.866 0.295 25953 939 1 3 . 1 1 556 556 THR CA C 556 61.379 61.379 63.246 -1.867 25953 940 1 3 . 1 1 556 556 THR CB C 556 68.976 68.976 68.594 0.383 25953 941 1 3 . 1 1 556 556 THR H H 556 7.160 7.160 7.757 -0.597 25953 942 1 3 . 1 1 557 557 SER N N 557 116.705 116.705 117.655 -0.950 25953 943 1 3 . 1 1 557 557 SER HA H 557 4.529 4.529 4.389 0.140 25953 944 1 3 . 1 1 557 557 SER C C 557 175.325 175.325 174.508 0.817 25953 945 1 3 . 1 1 557 557 SER CA C 557 58.036 58.036 57.303 0.733 25953 946 1 3 . 1 1 557 557 SER CB C 557 63.214 63.214 62.911 0.303 25953 947 1 3 . 1 1 557 557 SER H H 557 7.405 7.405 7.524 -0.119 25953 948 1 3 . 1 1 558 558 GLN N N 558 127.356 127.356 126.279 1.077 25953 949 1 3 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.093 0.076 25953 950 1 3 . 1 1 558 558 GLN C C 558 176.491 176.491 176.796 -0.305 25953 951 1 3 . 1 1 558 558 GLN CA C 558 57.594 57.594 57.295 0.299 25953 952 1 3 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.616 0.157 25953 953 1 3 . 1 1 558 558 GLN H H 558 8.915 8.915 8.717 0.198 25953 954 1 3 . 1 1 559 559 ASP N N 559 116.840 116.840 118.962 -2.122 25953 955 1 3 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.526 -0.041 25953 956 1 3 . 1 1 559 559 ASP C C 559 175.554 175.554 176.508 -0.954 25953 957 1 3 . 1 1 559 559 ASP CA C 559 53.203 53.203 54.597 -1.394 25953 958 1 3 . 1 1 559 559 ASP CB C 559 40.526 40.526 40.892 -0.366 25953 959 1 3 . 1 1 559 559 ASP H H 559 8.275 8.275 8.274 0.001 25953 960 1 3 . 1 1 560 560 MET N N 560 112.866 112.866 115.573 -2.707 25953 961 1 3 . 1 1 560 560 MET HA H 560 3.899 3.899 3.696 0.203 25953 962 1 3 . 1 1 560 560 MET C C 560 175.044 175.044 174.521 0.523 25953 963 1 3 . 1 1 560 560 MET CA C 560 56.400 56.400 56.133 0.267 25953 964 1 3 . 1 1 560 560 MET CB C 560 30.933 30.933 30.177 0.756 25953 965 1 3 . 1 1 560 560 MET H H 560 7.935 7.935 7.565 0.370 25953 966 1 3 . 1 1 561 561 ALA N N 561 122.207 122.207 119.641 2.566 25953 967 1 3 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.545 0.366 25953 968 1 3 . 1 1 561 561 ALA C C 561 176.577 176.577 175.261 1.316 25953 969 1 3 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.663 -0.686 25953 970 1 3 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.579 0.708 25953 971 1 3 . 1 1 561 561 ALA H H 561 7.910 7.910 7.606 0.304 25953 972 1 3 . 1 1 562 562 PHE N N 562 117.027 117.027 119.059 -2.032 25953 973 1 3 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.698 -0.062 25953 974 1 3 . 1 1 562 562 PHE C C 562 170.988 170.988 174.049 -3.061 25953 975 1 3 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.356 -0.126 25953 976 1 3 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.725 -2.679 25953 977 1 3 . 1 1 562 562 PHE H H 562 8.075 8.075 8.244 -0.169 25953 978 1 3 . 1 1 563 563 LYS N N 563 120.420 120.420 123.615 -3.195 25953 979 1 3 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.709 -0.209 25953 980 1 3 . 1 1 563 563 LYS C C 563 176.093 176.093 175.553 0.540 25953 981 1 3 . 1 1 563 563 LYS CA C 563 53.802 53.802 56.318 -2.516 25953 982 1 3 . 1 1 563 563 LYS CB C 563 33.679 33.679 33.245 0.434 25953 983 1 3 . 1 1 563 563 LYS H H 563 8.392 8.392 8.503 -0.111 25953 984 1 3 . 1 1 564 564 N N 564 132.535 132.535 10006.900 -9874.370 25953 985 1 3 . 1 1 564 564 HA H 564 4.639 4.639 9999.320 -9994.680 25953 986 1 3 . 1 1 564 564 C C 564 175.820 175.820 9997.440 -9821.620 25953 987 1 3 . 1 1 564 564 CA C 564 57.545 57.545 9995.430 -9937.880 25953 988 1 3 . 1 1 564 564 CB C 564 30.650 30.650 9998.160 -9967.510 25953 989 1 3 . 1 1 564 564 H H 564 8.456 8.456 9999.290 -9990.830 25953 990 1 3 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.332 0.048 25953 991 1 3 . 1 1 565 565 PRO C C 565 177.300 177.300 176.930 0.370 25953 992 1 3 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.150 -0.757 25953 993 1 3 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.847 1.158 25953 994 1 3 . 1 1 566 566 ILE N N 566 118.529 118.529 118.667 -0.138 25953 995 1 3 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.984 0.147 25953 996 1 3 . 1 1 566 566 ILE C C 566 176.361 176.361 177.489 -1.128 25953 997 1 3 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.544 0.155 25953 998 1 3 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.580 0.217 25953 999 1 3 . 1 1 566 566 ILE H H 566 8.528 8.528 8.354 0.174 25953 1000 1 3 . 1 1 567 567 N N 567 116.646 116.646 9994.550 -9877.900 25953 1001 1 3 . 1 1 567 567 HA H 567 4.932 4.932 9999.310 -9994.380 25953 1002 1 3 . 1 1 567 567 C C 567 176.175 176.175 9999.140 -9822.960 25953 1003 1 3 . 1 1 567 567 CA C 567 58.801 58.801 9998.080 -9939.280 25953 1004 1 3 . 1 1 567 567 CB C 567 31.243 31.243 10000.500 -9969.260 25953 1005 1 3 . 1 1 567 567 H H 567 7.770 7.770 9998.820 -9991.050 25953 1006 1 3 . 1 1 568 568 LYS N N 568 116.867 116.867 118.837 -1.970 25953 1007 1 3 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.004 0.011 25953 1008 1 3 . 1 1 568 568 LYS C C 568 175.290 175.290 175.621 -0.331 25953 1009 1 3 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.469 0.405 25953 1010 1 3 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.628 -0.993 25953 1011 1 3 . 1 1 568 568 LYS H H 568 8.038 8.038 8.236 -0.198 25953 1012 1 3 . 1 1 569 569 GLU N N 569 120.683 120.683 118.782 1.901 25953 1013 1 3 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.742 -0.270 25953 1014 1 3 . 1 1 569 569 GLU C C 569 175.851 175.851 175.644 0.207 25953 1015 1 3 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.699 1.502 25953 1016 1 3 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.231 -0.888 25953 1017 1 3 . 1 1 569 569 GLU H H 569 8.380 8.380 7.827 0.553 25953 1018 1 3 . 1 1 570 570 THR N N 570 118.082 118.082 116.367 1.715 25953 1019 1 3 . 1 1 570 570 THR HA H 570 4.378 4.378 5.035 -0.657 25953 1020 1 3 . 1 1 570 570 THR C C 570 174.070 174.070 173.885 0.185 25953 1021 1 3 . 1 1 570 570 THR CA C 570 63.174 63.174 61.615 1.559 25953 1022 1 3 . 1 1 570 570 THR CB C 570 69.853 69.853 70.349 -0.496 25953 1023 1 3 . 1 1 570 570 THR H H 570 8.565 8.565 8.456 0.109 25953 1024 1 3 . 1 1 571 571 VAL N N 571 132.533 132.533 127.074 5.459 25953 1025 1 3 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.462 -0.591 25953 1026 1 3 . 1 1 571 571 VAL C C 571 174.198 174.198 174.755 -0.557 25953 1027 1 3 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.449 1.621 25953 1028 1 3 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.380 -1.450 25953 1029 1 3 . 1 1 571 571 VAL H H 571 8.740 8.740 9.055 -0.315 25953 1030 1 3 . 1 1 572 572 THR N N 572 116.229 116.229 118.952 -2.723 25953 1031 1 3 . 1 1 572 572 THR HA H 572 5.243 5.243 5.336 -0.093 25953 1032 1 3 . 1 1 572 572 THR C C 572 175.803 175.803 174.512 1.291 25953 1033 1 3 . 1 1 572 572 THR CA C 572 60.095 60.095 60.487 -0.392 25953 1034 1 3 . 1 1 572 572 THR CB C 572 70.889 70.889 72.279 -1.390 25953 1035 1 3 . 1 1 572 572 THR H H 572 8.089 8.089 8.201 -0.112 25953 1036 1 3 . 1 1 573 573 GLY N N 573 110.544 110.544 109.239 1.305 25953 1037 1 3 . 1 1 573 573 GLY C C 573 172.769 172.769 173.883 -1.114 25953 1038 1 3 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.761 1.673 25953 1039 1 3 . 1 1 573 573 GLY H H 573 8.871 8.871 8.140 0.731 25953 1040 1 3 . 1 1 574 574 VAL N N 574 120.833 120.833 118.981 1.852 25953 1041 1 3 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.800 0.027 25953 1042 1 3 . 1 1 574 574 VAL C C 574 173.472 173.472 173.945 -0.473 25953 1043 1 3 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.175 0.826 25953 1044 1 3 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.569 0.070 25953 1045 1 3 . 1 1 574 574 VAL H H 574 9.473 9.473 8.897 0.576 25953 1046 1 3 . 1 1 575 575 TYR N N 575 126.796 126.796 123.209 3.587 25953 1047 1 3 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.250 -0.689 25953 1048 1 3 . 1 1 575 575 TYR C C 575 174.622 174.622 174.893 -0.271 25953 1049 1 3 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.628 -0.396 25953 1050 1 3 . 1 1 575 575 TYR CB C 575 37.264 37.264 39.167 -1.903 25953 1051 1 3 . 1 1 575 575 TYR H H 575 8.410 8.410 8.653 -0.243 25953 1052 1 3 . 1 1 576 576 ASP N N 576 130.548 130.548 126.224 4.324 25953 1053 1 3 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.571 -0.141 25953 1054 1 3 . 1 1 576 576 ASP C C 576 174.399 174.399 175.218 -0.819 25953 1055 1 3 . 1 1 576 576 ASP CA C 576 52.509 52.509 51.604 0.905 25953 1056 1 3 . 1 1 576 576 ASP CB C 576 42.012 42.012 43.377 -1.365 25953 1057 1 3 . 1 1 576 576 ASP H H 576 8.228 8.228 8.072 0.156 25953 1058 1 3 . 1 1 577 577 GLU N N 577 125.178 125.178 124.755 0.423 25953 1059 1 3 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.197 -0.618 25953 1060 1 3 . 1 1 577 577 GLU C C 577 178.103 178.103 177.004 1.099 25953 1061 1 3 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.524 1.183 25953 1062 1 3 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.070 0.440 25953 1063 1 3 . 1 1 577 577 GLU H H 577 8.480 8.480 8.628 -0.148 25953 1064 1 3 . 1 1 578 578 GLU N N 578 117.933 117.933 120.626 -2.693 25953 1065 1 3 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.209 -0.240 25953 1066 1 3 . 1 1 578 578 GLU C C 578 177.632 177.632 178.205 -0.573 25953 1067 1 3 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.333 0.706 25953 1068 1 3 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.965 -0.579 25953 1069 1 3 . 1 1 578 578 GLU H H 578 8.126 8.126 8.432 -0.306 25953 1070 1 3 . 1 1 579 579 SER N N 579 111.483 111.483 113.030 -1.547 25953 1071 1 3 . 1 1 579 579 SER HA H 579 4.343 4.343 4.445 -0.102 25953 1072 1 3 . 1 1 579 579 SER C C 579 176.070 176.070 175.152 0.918 25953 1073 1 3 . 1 1 579 579 SER CA C 579 58.557 58.557 58.981 -0.424 25953 1074 1 3 . 1 1 579 579 SER CB C 579 64.809 64.809 64.310 0.499 25953 1075 1 3 . 1 1 579 579 SER H H 579 7.510 7.510 8.537 -1.027 25953 1076 1 3 . 1 1 580 580 GLY N N 580 113.307 113.307 109.363 3.944 25953 1077 1 3 . 1 1 580 580 GLY C C 580 173.600 173.600 173.454 0.146 25953 1078 1 3 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.348 0.758 25953 1079 1 3 . 1 1 580 580 GLY H H 580 8.196 8.196 7.624 0.572 25953 1080 1 3 . 1 1 581 581 GLU N N 581 116.623 116.623 117.825 -1.202 25953 1081 1 3 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.828 -0.123 25953 1082 1 3 . 1 1 581 581 GLU C C 581 174.750 174.750 174.212 0.538 25953 1083 1 3 . 1 1 581 581 GLU CA C 581 53.869 53.869 54.059 -0.190 25953 1084 1 3 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.363 -0.753 25953 1085 1 3 . 1 1 581 581 GLU H H 581 6.994 6.994 7.339 -0.345 25953 1086 1 3 . 1 1 582 582 TRP N N 582 122.364 122.364 118.374 3.990 25953 1087 1 3 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.060 -0.259 25953 1088 1 3 . 1 1 582 582 TRP C C 582 176.750 176.750 176.555 0.195 25953 1089 1 3 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.320 -0.287 25953 1090 1 3 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.931 -2.074 25953 1091 1 3 . 1 1 582 582 TRP H H 582 8.841 8.841 8.667 0.174 25953 1092 1 3 . 1 1 583 583 VAL N N 583 115.147 115.147 118.734 -3.587 25953 1093 1 3 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.988 0.128 25953 1094 1 3 . 1 1 583 583 VAL C C 583 175.063 175.063 174.036 1.027 25953 1095 1 3 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.880 -1.482 25953 1096 1 3 . 1 1 583 583 VAL CB C 583 36.769 36.769 37.077 -0.308 25953 1097 1 3 . 1 1 583 583 VAL H H 583 9.440 9.440 9.319 0.121 25953 1098 1 3 . 1 1 584 584 TRP N N 584 123.710 123.710 124.344 -0.634 25953 1099 1 3 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.170 0.080 25953 1100 1 3 . 1 1 584 584 TRP C C 584 176.436 176.436 174.989 1.447 25953 1101 1 3 . 1 1 584 584 TRP CA C 584 54.401 54.401 55.197 -0.795 25953 1102 1 3 . 1 1 584 584 TRP CB C 584 28.443 28.443 31.993 -3.550 25953 1103 1 3 . 1 1 584 584 TRP H H 584 9.295 9.295 9.349 -0.054 25953 1104 1 3 . 1 1 585 585 LYS N N 585 122.031 122.031 124.069 -2.038 25953 1105 1 3 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.810 -0.247 25953 1106 1 3 . 1 1 585 585 LYS C C 585 178.886 178.886 177.505 1.381 25953 1107 1 3 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.761 1.552 25953 1108 1 3 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.407 -0.974 25953 1109 1 3 . 1 1 585 585 LYS H H 585 8.689 8.689 8.907 -0.218 25953 1110 1 3 . 1 1 586 586 ASN N N 586 123.634 123.634 118.662 4.972 25953 1111 1 3 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.463 0.440 25953 1112 1 3 . 1 1 586 586 ASN C C 586 176.043 176.043 174.225 1.818 25953 1113 1 3 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.769 -0.067 25953 1114 1 3 . 1 1 586 586 ASN CB C 586 37.052 37.052 36.229 0.823 25953 1115 1 3 . 1 1 586 586 ASN H H 586 8.830 8.830 9.067 -0.237 25953 1116 1 3 . 1 1 587 587 THR N N 587 114.536 114.536 114.441 0.095 25953 1117 1 3 . 1 1 587 587 THR HA H 587 5.482 5.482 5.304 0.178 25953 1118 1 3 . 1 1 587 587 THR C C 587 171.882 171.882 173.065 -1.183 25953 1119 1 3 . 1 1 587 587 THR CA C 587 63.252 63.252 62.005 1.247 25953 1120 1 3 . 1 1 587 587 THR CB C 587 73.106 73.106 72.153 0.953 25953 1121 1 3 . 1 1 587 587 THR H H 587 8.179 8.179 8.020 0.159 25953 1122 1 3 . 1 1 588 588 ILE N N 588 120.751 120.751 121.546 -0.795 25953 1123 1 3 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.414 0.017 25953 1124 1 3 . 1 1 588 588 ILE C C 588 171.550 171.550 172.946 -1.396 25953 1125 1 3 . 1 1 588 588 ILE CA C 588 58.960 58.960 58.948 0.012 25953 1126 1 3 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.852 1.500 25953 1127 1 3 . 1 1 588 588 ILE H H 588 8.984 8.984 8.822 0.162 25953 1128 1 3 . 1 1 589 589 GLU N N 589 125.535 125.535 128.256 -2.721 25953 1129 1 3 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.745 0.066 25953 1130 1 3 . 1 1 589 589 GLU C C 589 175.587 175.587 174.939 0.648 25953 1131 1 3 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.198 -0.037 25953 1132 1 3 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.954 -0.331 25953 1133 1 3 . 1 1 589 589 GLU H H 589 8.337 8.337 8.213 0.124 25953 1134 1 3 . 1 1 590 590 VAL N N 590 126.684 126.684 127.274 -0.590 25953 1135 1 3 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.309 -0.322 25953 1136 1 3 . 1 1 590 590 VAL C C 590 176.078 176.078 175.802 0.276 25953 1137 1 3 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.763 0.811 25953 1138 1 3 . 1 1 590 590 VAL CB C 590 33.828 33.828 32.745 1.083 25953 1139 1 3 . 1 1 590 590 VAL H H 590 9.013 9.013 8.990 0.023 25953 1140 1 3 . 1 1 591 591 ASN N N 591 127.075 127.075 125.331 1.744 25953 1141 1 3 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.285 0.018 25953 1142 1 3 . 1 1 591 591 ASN C C 591 175.223 175.223 175.353 -0.130 25953 1143 1 3 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.816 -0.768 25953 1144 1 3 . 1 1 591 591 ASN CB C 591 37.769 37.769 37.355 0.414 25953 1145 1 3 . 1 1 591 591 ASN H H 591 9.347 9.347 9.159 0.188 25953 1146 1 3 . 1 1 592 592 GLY N N 592 104.628 104.628 105.287 -0.659 25953 1147 1 3 . 1 1 592 592 GLY C C 592 172.842 172.842 173.621 -0.779 25953 1148 1 3 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.706 0.575 25953 1149 1 3 . 1 1 592 592 GLY H H 592 8.990 8.990 8.026 0.964 25953 1150 1 3 . 1 1 593 593 LYS N N 593 120.387 120.387 122.065 -1.678 25953 1151 1 3 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.479 -0.292 25953 1152 1 3 . 1 1 593 593 LYS C C 593 173.344 173.344 175.300 -1.956 25953 1153 1 3 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.561 -1.422 25953 1154 1 3 . 1 1 593 593 LYS CB C 593 34.946 34.946 33.985 0.961 25953 1155 1 3 . 1 1 593 593 LYS H H 593 7.485 7.485 8.012 -0.527 25953 1156 1 3 . 1 1 594 594 TYR N N 594 119.730 119.730 120.497 -0.767 25953 1157 1 3 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.666 0.165 25953 1158 1 3 . 1 1 594 594 TYR C C 594 173.851 173.851 175.610 -1.759 25953 1159 1 3 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.962 -1.034 25953 1160 1 3 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.195 -2.621 25953 1161 1 3 . 1 1 594 594 TYR H H 594 7.092 7.092 8.074 -0.982 25953 1162 1 3 . 1 1 595 595 PHE N N 595 116.435 116.435 117.075 -0.640 25953 1163 1 3 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.655 0.383 25953 1164 1 3 . 1 1 595 595 PHE C C 595 177.013 177.013 174.046 2.967 25953 1165 1 3 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.090 -1.562 25953 1166 1 3 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.226 1.172 25953 1167 1 3 . 1 1 595 595 PHE H H 595 8.459 8.459 8.808 -0.349 25953 1168 1 3 . 1 1 596 596 N N 596 118.187 118.187 10000.900 -9882.710 25953 1169 1 3 . 1 1 596 596 HA H 596 6.064 6.064 9999.530 -9993.470 25953 1170 1 3 . 1 1 596 596 CA C 596 58.668 58.668 9998.540 -9939.870 25953 1171 1 3 . 1 1 596 596 CB C 596 32.486 32.486 10000.600 -9968.110 25953 1172 1 3 . 1 1 596 596 H H 596 9.113 9.113 9999.860 -9990.750 25953 1173 1 3 . 1 1 597 597 SER N N 597 118.403 118.403 120.653 -2.250 25953 1174 1 3 . 1 1 597 597 SER HA H 597 4.798 4.798 4.252 0.546 25953 1175 1 3 . 1 1 597 597 SER C C 597 179.336 179.336 176.359 2.977 25953 1176 1 3 . 1 1 597 597 SER CA C 597 60.633 60.633 61.581 -0.948 25953 1177 1 3 . 1 1 597 597 SER CB C 597 62.965 62.965 63.233 -0.268 25953 1178 1 3 . 1 1 597 597 SER H H 597 8.110 8.110 9.036 -0.926 25953 1179 1 3 . 1 1 598 598 THR N N 598 111.927 111.927 116.547 -4.620 25953 1180 1 3 . 1 1 598 598 THR HA H 598 3.991 3.991 4.183 -0.192 25953 1181 1 3 . 1 1 598 598 THR C C 598 178.244 178.244 176.031 2.213 25953 1182 1 3 . 1 1 598 598 THR CA C 598 64.766 64.766 65.567 -0.801 25953 1183 1 3 . 1 1 598 598 THR CB C 598 67.467 67.467 68.246 -0.778 25953 1184 1 3 . 1 1 598 598 THR H H 598 9.120 9.120 7.958 1.162 25953 1185 1 3 . 1 1 599 599 N N 599 117.596 117.596 9999.960 -9882.360 25953 1186 1 3 . 1 1 599 599 HA H 599 4.055 4.055 9998.950 -9994.900 25953 1187 1 3 . 1 1 599 599 C C 599 177.266 177.266 10000.700 -9823.430 25953 1188 1 3 . 1 1 599 599 CA C 599 63.602 63.602 10002.800 -9939.200 25953 1189 1 3 . 1 1 599 599 CB C 599 30.014 30.014 9997.300 -9967.290 25953 1190 1 3 . 1 1 599 599 H H 599 6.935 6.935 9998.790 -9991.860 25953 1191 1 3 . 1 1 600 600 TYR N N 600 119.532 119.532 120.842 -1.310 25953 1192 1 3 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.009 -0.412 25953 1193 1 3 . 1 1 600 600 TYR C C 600 177.533 177.533 176.482 1.051 25953 1194 1 3 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.234 0.900 25953 1195 1 3 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.148 1.273 25953 1196 1 3 . 1 1 600 600 TYR H H 600 8.396 8.396 8.657 -0.261 25953 1197 1 3 . 1 1 601 601 N N 601 117.457 117.457 9997.970 -9880.510 25953 1198 1 3 . 1 1 601 601 HA H 601 4.126 4.126 9998.480 -9994.350 25953 1199 1 3 . 1 1 601 601 CA C 601 60.119 60.119 10002.300 -9942.180 25953 1200 1 3 . 1 1 601 601 CB C 601 29.903 29.903 9999.400 -9969.500 25953 1201 1 3 . 1 1 601 601 H H 601 8.417 8.417 9999.030 -9990.610 25953 1202 1 3 . 1 1 602 602 GLU N N 602 118.228 118.228 116.869 1.359 25953 1203 1 3 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.043 0.038 25953 1204 1 3 . 1 1 602 602 GLU C C 602 177.912 177.912 177.603 0.309 25953 1205 1 3 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.235 -0.075 25953 1206 1 3 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.526 0.207 25953 1207 1 3 . 1 1 602 602 GLU H H 602 8.094 8.094 8.294 -0.200 25953 1208 1 3 . 1 1 603 603 THR N N 603 111.252 111.252 114.318 -3.066 25953 1209 1 3 . 1 1 603 603 THR HA H 603 4.265 4.265 4.310 -0.045 25953 1210 1 3 . 1 1 603 603 THR C C 603 175.279 175.279 174.494 0.785 25953 1211 1 3 . 1 1 603 603 THR CA C 603 63.116 63.116 62.446 0.671 25953 1212 1 3 . 1 1 603 603 THR CB C 603 69.801 69.801 68.560 1.241 25953 1213 1 3 . 1 1 603 603 THR H H 603 7.578 7.578 7.455 0.123 25953 1214 1 3 . 1 1 604 604 SER N N 604 117.291 117.291 115.209 2.082 25953 1215 1 3 . 1 1 604 604 SER HA H 604 4.221 4.221 3.452 0.769 25953 1216 1 3 . 1 1 604 604 SER C C 604 174.838 174.838 174.987 -0.149 25953 1217 1 3 . 1 1 604 604 SER CA C 604 59.105 59.105 59.265 -0.160 25953 1218 1 3 . 1 1 604 604 SER CB C 604 63.387 63.387 63.471 -0.084 25953 1219 1 3 . 1 1 604 604 SER H H 604 7.849 7.849 7.350 0.499 25953 1220 1 3 . 1 1 605 605 GLN N N 605 120.747 120.747 116.579 4.168 25953 1221 1 3 . 1 1 605 605 GLN C C 605 175.801 175.801 175.320 0.481 25953 1222 1 3 . 1 1 605 605 GLN CA C 605 56.080 56.080 56.479 -0.399 25953 1223 1 3 . 1 1 605 605 GLN CB C 605 28.926 28.926 26.659 2.267 25953 1224 1 3 . 1 1 605 605 GLN H H 605 7.971 7.971 8.277 -0.306 25953 1225 1 4 . 1 1 535 535 SER HA H 535 4.465 4.465 4.229 0.236 25953 1226 1 4 . 1 1 535 535 SER C C 535 174.718 174.718 174.393 0.325 25953 1227 1 4 . 1 1 535 535 SER CA C 535 58.323 58.323 58.544 -0.220 25953 1228 1 4 . 1 1 535 535 SER CB C 535 63.845 63.845 62.627 1.218 25953 1229 1 4 . 1 1 536 536 GLU N N 536 122.899 122.899 121.263 1.636 25953 1230 1 4 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.374 -0.173 25953 1231 1 4 . 1 1 536 536 GLU C C 536 176.241 176.241 175.829 0.412 25953 1232 1 4 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.647 0.430 25953 1233 1 4 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.594 -0.762 25953 1234 1 4 . 1 1 536 536 GLU H H 536 8.638 8.638 7.755 0.883 25953 1235 1 4 . 1 1 537 537 PHE N N 537 120.390 120.390 118.917 1.473 25953 1236 1 4 . 1 1 537 537 PHE HA H 537 4.641 4.641 5.324 -0.683 25953 1237 1 4 . 1 1 537 537 PHE C C 537 176.005 176.005 173.928 2.077 25953 1238 1 4 . 1 1 537 537 PHE CA C 537 57.804 57.804 56.565 1.239 25953 1239 1 4 . 1 1 537 537 PHE CB C 537 39.450 39.450 41.326 -1.876 25953 1240 1 4 . 1 1 537 537 PHE H H 537 8.266 8.266 8.633 -0.367 25953 1241 1 4 . 1 1 538 538 SER N N 538 117.148 117.148 115.188 1.960 25953 1242 1 4 . 1 1 538 538 SER HA H 538 4.399 4.399 4.524 -0.125 25953 1243 1 4 . 1 1 538 538 SER C C 538 174.167 174.167 174.431 -0.264 25953 1244 1 4 . 1 1 538 538 SER CA C 538 58.437 58.437 57.769 0.668 25953 1245 1 4 . 1 1 538 538 SER CB C 538 63.956 63.956 64.785 -0.829 25953 1246 1 4 . 1 1 538 538 SER H H 538 8.194 8.194 8.474 -0.280 25953 1247 1 4 . 1 1 539 539 ASP N N 539 122.404 122.404 122.408 -0.004 25953 1248 1 4 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.580 0.006 25953 1249 1 4 . 1 1 539 539 ASP C C 539 176.496 176.496 176.722 -0.226 25953 1250 1 4 . 1 1 539 539 ASP CA C 539 54.471 54.471 55.468 -0.997 25953 1251 1 4 . 1 1 539 539 ASP CB C 539 41.021 41.021 40.633 0.388 25953 1252 1 4 . 1 1 539 539 ASP H H 539 8.333 8.333 8.806 -0.473 25953 1253 1 4 . 1 1 540 540 ARG N N 540 121.337 121.337 118.346 2.991 25953 1254 1 4 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.283 0.080 25953 1255 1 4 . 1 1 540 540 ARG C C 540 176.889 176.889 177.179 -0.290 25953 1256 1 4 . 1 1 540 540 ARG CA C 540 56.406 56.406 56.420 -0.014 25953 1257 1 4 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.155 0.210 25953 1258 1 4 . 1 1 540 540 ARG H H 540 8.293 8.293 8.081 0.212 25953 1259 1 4 . 1 1 541 541 SER N N 541 116.606 116.606 115.926 0.680 25953 1260 1 4 . 1 1 541 541 SER HA H 541 4.319 4.319 4.411 -0.092 25953 1261 1 4 . 1 1 541 541 SER C C 541 175.060 175.060 175.076 -0.016 25953 1262 1 4 . 1 1 541 541 SER CA C 541 59.655 59.655 58.546 1.109 25953 1263 1 4 . 1 1 541 541 SER CB C 541 63.417 63.417 63.836 -0.419 25953 1264 1 4 . 1 1 541 541 SER H H 541 8.369 8.369 7.779 0.590 25953 1265 1 4 . 1 1 542 542 ASN N N 542 120.759 120.759 125.044 -4.285 25953 1266 1 4 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.833 -0.133 25953 1267 1 4 . 1 1 542 542 ASN C C 542 175.903 175.903 176.376 -0.473 25953 1268 1 4 . 1 1 542 542 ASN CA C 542 53.788 53.788 53.783 0.005 25953 1269 1 4 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.671 0.057 25953 1270 1 4 . 1 1 542 542 ASN H H 542 8.451 8.451 8.805 -0.354 25953 1271 1 4 . 1 1 543 543 GLU N N 543 120.886 120.886 121.269 -0.383 25953 1272 1 4 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.116 -0.125 25953 1273 1 4 . 1 1 543 543 GLU C C 543 177.658 177.658 178.383 -0.725 25953 1274 1 4 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.240 -0.451 25953 1275 1 4 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.473 0.281 25953 1276 1 4 . 1 1 543 543 GLU H H 543 8.257 8.257 7.827 0.430 25953 1277 1 4 . 1 1 544 544 LEU N N 544 119.978 119.978 118.250 1.728 25953 1278 1 4 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.256 -0.169 25953 1279 1 4 . 1 1 544 544 LEU C C 544 179.340 179.340 179.282 0.058 25953 1280 1 4 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.219 -0.021 25953 1281 1 4 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.160 0.451 25953 1282 1 4 . 1 1 544 544 LEU H H 544 8.104 8.104 8.218 -0.114 25953 1283 1 4 . 1 1 545 545 GLU N N 545 120.432 120.432 120.568 -0.136 25953 1284 1 4 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.085 -0.025 25953 1285 1 4 . 1 1 545 545 GLU C C 545 178.371 178.371 178.918 -0.547 25953 1286 1 4 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.522 -1.279 25953 1287 1 4 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.542 0.023 25953 1288 1 4 . 1 1 545 545 GLU H H 545 7.995 7.995 8.007 -0.012 25953 1289 1 4 . 1 1 546 546 ILE N N 546 119.751 119.751 116.941 2.810 25953 1290 1 4 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.780 -0.156 25953 1291 1 4 . 1 1 546 546 ILE C C 546 178.857 178.857 178.320 0.537 25953 1292 1 4 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.809 0.030 25953 1293 1 4 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.017 0.636 25953 1294 1 4 . 1 1 546 546 ILE H H 546 7.828 7.828 7.693 0.135 25953 1295 1 4 . 1 1 547 547 ARG N N 547 120.304 120.304 119.352 0.952 25953 1296 1 4 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.380 -0.023 25953 1297 1 4 . 1 1 547 547 ARG C C 547 176.842 176.842 178.912 -2.070 25953 1298 1 4 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.852 -0.977 25953 1299 1 4 . 1 1 547 547 ARG CB C 547 30.460 30.460 29.979 0.481 25953 1300 1 4 . 1 1 547 547 ARG H H 547 8.313 8.313 8.221 0.092 25953 1301 1 4 . 1 1 548 548 GLY N N 548 104.777 104.777 107.248 -2.471 25953 1302 1 4 . 1 1 548 548 GLY C C 548 175.105 175.105 174.267 0.838 25953 1303 1 4 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.255 0.205 25953 1304 1 4 . 1 1 548 548 GLY H H 548 7.823 7.823 7.815 0.008 25953 1305 1 4 . 1 1 549 549 LYS N N 549 122.134 122.134 121.093 1.041 25953 1306 1 4 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.221 0.156 25953 1307 1 4 . 1 1 549 549 LYS C C 549 175.156 175.156 175.598 -0.442 25953 1308 1 4 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.672 0.701 25953 1309 1 4 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.566 -0.418 25953 1310 1 4 . 1 1 549 549 LYS H H 549 7.257 7.257 7.480 -0.223 25953 1311 1 4 . 1 1 550 550 TYR N N 550 117.482 117.482 118.583 -1.101 25953 1312 1 4 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.727 0.031 25953 1313 1 4 . 1 1 550 550 TYR C C 550 174.650 174.650 174.268 0.382 25953 1314 1 4 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.874 0.156 25953 1315 1 4 . 1 1 550 550 TYR CB C 550 42.227 42.227 42.631 -0.404 25953 1316 1 4 . 1 1 550 550 TYR H H 550 8.108 8.108 8.069 0.039 25953 1317 1 4 . 1 1 551 551 VAL N N 551 117.964 117.964 114.253 3.711 25953 1318 1 4 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.520 -0.061 25953 1319 1 4 . 1 1 551 551 VAL C C 551 174.974 174.974 173.898 1.076 25953 1320 1 4 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.076 -1.038 25953 1321 1 4 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.720 1.073 25953 1322 1 4 . 1 1 551 551 VAL H H 551 8.549 8.549 8.375 0.174 25953 1323 1 4 . 1 1 552 552 VAL N N 552 126.679 126.679 125.438 1.241 25953 1324 1 4 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.117 0.042 25953 1325 1 4 . 1 1 552 552 VAL C C 552 175.545 175.545 175.035 0.510 25953 1326 1 4 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.032 1.119 25953 1327 1 4 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.455 -0.497 25953 1328 1 4 . 1 1 552 552 VAL H H 552 8.642 8.642 8.281 0.361 25953 1329 1 4 . 1 1 553 553 VAL N N 553 129.744 129.744 128.993 0.751 25953 1330 1 4 . 1 1 553 553 VAL HA H 553 2.459 2.459 3.970 -1.511 25953 1331 1 4 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.578 2.590 25953 1332 1 4 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.128 -1.744 25953 1333 1 4 . 1 1 553 553 VAL H H 553 8.341 8.341 8.166 0.175 25953 1334 1 4 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.529 -0.141 25953 1335 1 4 . 1 1 554 554 PRO C C 554 178.374 178.374 177.247 1.127 25953 1336 1 4 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.451 0.125 25953 1337 1 4 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.549 0.206 25953 1338 1 4 . 1 1 555 555 GLU N N 555 122.440 122.440 122.338 0.102 25953 1339 1 4 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.855 0.199 25953 1340 1 4 . 1 1 555 555 GLU C C 555 176.757 176.757 176.939 -0.182 25953 1341 1 4 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.207 -0.706 25953 1342 1 4 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.224 0.189 25953 1343 1 4 . 1 1 555 555 GLU H H 555 8.904 8.904 8.892 0.012 25953 1344 1 4 . 1 1 556 556 THR N N 556 104.703 104.703 109.334 -4.631 25953 1345 1 4 . 1 1 556 556 THR HA H 556 4.152 4.152 4.097 0.055 25953 1346 1 4 . 1 1 556 556 THR C C 556 175.161 175.161 175.817 -0.656 25953 1347 1 4 . 1 1 556 556 THR CA C 556 61.379 61.379 63.727 -2.348 25953 1348 1 4 . 1 1 556 556 THR CB C 556 68.976 68.976 68.512 0.464 25953 1349 1 4 . 1 1 556 556 THR H H 556 7.160 7.160 7.765 -0.605 25953 1350 1 4 . 1 1 557 557 SER N N 557 116.705 116.705 118.904 -2.199 25953 1351 1 4 . 1 1 557 557 SER HA H 557 4.529 4.529 4.454 0.075 25953 1352 1 4 . 1 1 557 557 SER C C 557 175.325 175.325 173.728 1.597 25953 1353 1 4 . 1 1 557 557 SER CA C 557 58.036 58.036 57.259 0.777 25953 1354 1 4 . 1 1 557 557 SER CB C 557 63.214 63.214 61.738 1.476 25953 1355 1 4 . 1 1 557 557 SER H H 557 7.405 7.405 7.584 -0.179 25953 1356 1 4 . 1 1 558 558 GLN N N 558 127.356 127.356 124.795 2.561 25953 1357 1 4 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.062 0.107 25953 1358 1 4 . 1 1 558 558 GLN C C 558 176.491 176.491 176.460 0.031 25953 1359 1 4 . 1 1 558 558 GLN CA C 558 57.594 57.594 57.807 -0.213 25953 1360 1 4 . 1 1 558 558 GLN CB C 558 28.773 28.773 29.003 -0.230 25953 1361 1 4 . 1 1 558 558 GLN H H 558 8.915 8.915 7.630 1.285 25953 1362 1 4 . 1 1 559 559 ASP N N 559 116.840 116.840 118.909 -2.069 25953 1363 1 4 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.163 0.322 25953 1364 1 4 . 1 1 559 559 ASP C C 559 175.554 175.554 176.386 -0.832 25953 1365 1 4 . 1 1 559 559 ASP CA C 559 53.203 53.203 55.388 -2.185 25953 1366 1 4 . 1 1 559 559 ASP CB C 559 40.526 40.526 40.021 0.505 25953 1367 1 4 . 1 1 559 559 ASP H H 559 8.275 8.275 8.835 -0.560 25953 1368 1 4 . 1 1 560 560 MET N N 560 112.866 112.866 114.118 -1.252 25953 1369 1 4 . 1 1 560 560 MET HA H 560 3.899 3.899 3.776 0.123 25953 1370 1 4 . 1 1 560 560 MET C C 560 175.044 175.044 174.338 0.706 25953 1371 1 4 . 1 1 560 560 MET CA C 560 56.400 56.400 56.267 0.133 25953 1372 1 4 . 1 1 560 560 MET CB C 560 30.933 30.933 29.731 1.202 25953 1373 1 4 . 1 1 560 560 MET H H 560 7.935 7.935 7.789 0.146 25953 1374 1 4 . 1 1 561 561 ALA N N 561 122.207 122.207 120.097 2.110 25953 1375 1 4 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.694 0.217 25953 1376 1 4 . 1 1 561 561 ALA C C 561 176.577 176.577 175.583 0.994 25953 1377 1 4 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.581 -0.605 25953 1378 1 4 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.338 0.949 25953 1379 1 4 . 1 1 561 561 ALA H H 561 7.910 7.910 7.718 0.192 25953 1380 1 4 . 1 1 562 562 PHE N N 562 117.027 117.027 121.687 -4.660 25953 1381 1 4 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.743 -0.107 25953 1382 1 4 . 1 1 562 562 PHE C C 562 170.988 170.988 173.100 -2.112 25953 1383 1 4 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.485 -0.255 25953 1384 1 4 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.145 -2.099 25953 1385 1 4 . 1 1 562 562 PHE H H 562 8.075 8.075 8.246 -0.172 25953 1386 1 4 . 1 1 563 563 LYS N N 563 120.420 120.420 127.696 -7.276 25953 1387 1 4 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.455 0.045 25953 1388 1 4 . 1 1 563 563 LYS C C 563 176.093 176.093 175.403 0.690 25953 1389 1 4 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.568 -0.766 25953 1390 1 4 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.142 1.537 25953 1391 1 4 . 1 1 563 563 LYS H H 563 8.392 8.392 7.342 1.050 25953 1392 1 4 . 1 1 564 564 N N 564 132.535 132.535 10008.300 -9875.760 25953 1393 1 4 . 1 1 564 564 HA H 564 4.639 4.639 9998.870 -9994.230 25953 1394 1 4 . 1 1 564 564 C C 564 175.820 175.820 9997.980 -9822.160 25953 1395 1 4 . 1 1 564 564 CA C 564 57.545 57.545 9997.260 -9939.710 25953 1396 1 4 . 1 1 564 564 CB C 564 30.650 30.650 9997.860 -9967.210 25953 1397 1 4 . 1 1 564 564 H H 564 8.456 8.456 9999.260 -9990.800 25953 1398 1 4 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.308 0.072 25953 1399 1 4 . 1 1 565 565 PRO C C 565 177.300 177.300 176.979 0.321 25953 1400 1 4 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.658 -0.265 25953 1401 1 4 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.917 1.088 25953 1402 1 4 . 1 1 566 566 ILE N N 566 118.529 118.529 118.547 -0.018 25953 1403 1 4 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.947 0.184 25953 1404 1 4 . 1 1 566 566 ILE C C 566 176.361 176.361 177.384 -1.023 25953 1405 1 4 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.774 -0.075 25953 1406 1 4 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.416 0.381 25953 1407 1 4 . 1 1 566 566 ILE H H 566 8.528 8.528 8.238 0.290 25953 1408 1 4 . 1 1 567 567 N N 567 116.646 116.646 9994.470 -9877.820 25953 1409 1 4 . 1 1 567 567 HA H 567 4.932 4.932 9999.400 -9994.470 25953 1410 1 4 . 1 1 567 567 C C 567 176.175 176.175 9999.390 -9823.210 25953 1411 1 4 . 1 1 567 567 CA C 567 58.801 58.801 9996.770 -9937.970 25953 1412 1 4 . 1 1 567 567 CB C 567 31.243 31.243 10000.100 -9968.860 25953 1413 1 4 . 1 1 567 567 H H 567 7.770 7.770 9998.680 -9990.910 25953 1414 1 4 . 1 1 568 568 LYS N N 568 116.867 116.867 120.330 -3.463 25953 1415 1 4 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.017 -0.002 25953 1416 1 4 . 1 1 568 568 LYS C C 568 175.290 175.290 175.154 0.136 25953 1417 1 4 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.840 0.034 25953 1418 1 4 . 1 1 568 568 LYS CB C 568 28.635 28.635 31.316 -2.681 25953 1419 1 4 . 1 1 568 568 LYS H H 568 8.038 8.038 8.147 -0.109 25953 1420 1 4 . 1 1 569 569 GLU N N 569 120.683 120.683 117.941 2.742 25953 1421 1 4 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.657 -0.185 25953 1422 1 4 . 1 1 569 569 GLU C C 569 175.851 175.851 175.446 0.405 25953 1423 1 4 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.733 1.468 25953 1424 1 4 . 1 1 569 569 GLU CB C 569 31.343 31.343 33.019 -1.676 25953 1425 1 4 . 1 1 569 569 GLU H H 569 8.380 8.380 7.633 0.747 25953 1426 1 4 . 1 1 570 570 THR N N 570 118.082 118.082 119.336 -1.254 25953 1427 1 4 . 1 1 570 570 THR HA H 570 4.378 4.378 4.695 -0.317 25953 1428 1 4 . 1 1 570 570 THR C C 570 174.070 174.070 174.625 -0.555 25953 1429 1 4 . 1 1 570 570 THR CA C 570 63.174 63.174 63.138 0.036 25953 1430 1 4 . 1 1 570 570 THR CB C 570 69.853 69.853 69.159 0.694 25953 1431 1 4 . 1 1 570 570 THR H H 570 8.565 8.565 8.522 0.043 25953 1432 1 4 . 1 1 571 571 VAL N N 571 132.533 132.533 128.502 4.031 25953 1433 1 4 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.415 -0.544 25953 1434 1 4 . 1 1 571 571 VAL C C 571 174.198 174.198 174.651 -0.453 25953 1435 1 4 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.784 1.286 25953 1436 1 4 . 1 1 571 571 VAL CB C 571 31.930 31.930 34.056 -2.126 25953 1437 1 4 . 1 1 571 571 VAL H H 571 8.740 8.740 8.872 -0.132 25953 1438 1 4 . 1 1 572 572 THR N N 572 116.229 116.229 118.616 -2.387 25953 1439 1 4 . 1 1 572 572 THR HA H 572 5.243 5.243 5.260 -0.017 25953 1440 1 4 . 1 1 572 572 THR C C 572 175.803 175.803 174.786 1.017 25953 1441 1 4 . 1 1 572 572 THR CA C 572 60.095 60.095 59.929 0.166 25953 1442 1 4 . 1 1 572 572 THR CB C 572 70.889 70.889 72.337 -1.448 25953 1443 1 4 . 1 1 572 572 THR H H 572 8.089 8.089 7.987 0.102 25953 1444 1 4 . 1 1 573 573 GLY N N 573 110.544 110.544 111.061 -0.517 25953 1445 1 4 . 1 1 573 573 GLY C C 573 172.769 172.769 174.038 -1.269 25953 1446 1 4 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.964 1.470 25953 1447 1 4 . 1 1 573 573 GLY H H 573 8.871 8.871 8.364 0.507 25953 1448 1 4 . 1 1 574 574 VAL N N 574 120.833 120.833 119.166 1.667 25953 1449 1 4 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.825 0.002 25953 1450 1 4 . 1 1 574 574 VAL C C 574 173.472 173.472 173.960 -0.488 25953 1451 1 4 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.530 0.471 25953 1452 1 4 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.652 -0.013 25953 1453 1 4 . 1 1 574 574 VAL H H 574 9.473 9.473 8.950 0.523 25953 1454 1 4 . 1 1 575 575 TYR N N 575 126.796 126.796 124.047 2.749 25953 1455 1 4 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.154 -0.593 25953 1456 1 4 . 1 1 575 575 TYR C C 575 174.622 174.622 174.902 -0.280 25953 1457 1 4 . 1 1 575 575 TYR CA C 575 58.232 58.232 57.981 0.251 25953 1458 1 4 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.551 -1.288 25953 1459 1 4 . 1 1 575 575 TYR H H 575 8.410 8.410 8.660 -0.250 25953 1460 1 4 . 1 1 576 576 ASP N N 576 130.548 130.548 126.600 3.948 25953 1461 1 4 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.595 -0.165 25953 1462 1 4 . 1 1 576 576 ASP C C 576 174.399 174.399 175.705 -1.306 25953 1463 1 4 . 1 1 576 576 ASP CA C 576 52.509 52.509 53.171 -0.662 25953 1464 1 4 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.442 -0.430 25953 1465 1 4 . 1 1 576 576 ASP H H 576 8.228 8.228 7.972 0.256 25953 1466 1 4 . 1 1 577 577 GLU N N 577 125.178 125.178 124.457 0.721 25953 1467 1 4 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.180 -0.601 25953 1468 1 4 . 1 1 577 577 GLU C C 577 178.103 178.103 176.968 1.135 25953 1469 1 4 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.813 0.894 25953 1470 1 4 . 1 1 577 577 GLU CB C 577 29.510 29.510 30.229 -0.719 25953 1471 1 4 . 1 1 577 577 GLU H H 577 8.480 8.480 8.652 -0.172 25953 1472 1 4 . 1 1 578 578 GLU N N 578 117.933 117.933 119.895 -1.962 25953 1473 1 4 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.219 -0.250 25953 1474 1 4 . 1 1 578 578 GLU C C 578 177.632 177.632 177.561 0.071 25953 1475 1 4 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.295 0.744 25953 1476 1 4 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.804 -0.418 25953 1477 1 4 . 1 1 578 578 GLU H H 578 8.126 8.126 8.179 -0.053 25953 1478 1 4 . 1 1 579 579 SER N N 579 111.483 111.483 112.320 -0.837 25953 1479 1 4 . 1 1 579 579 SER HA H 579 4.343 4.343 4.471 -0.128 25953 1480 1 4 . 1 1 579 579 SER C C 579 176.070 176.070 174.813 1.257 25953 1481 1 4 . 1 1 579 579 SER CA C 579 58.557 58.557 58.186 0.371 25953 1482 1 4 . 1 1 579 579 SER CB C 579 64.809 64.809 64.259 0.550 25953 1483 1 4 . 1 1 579 579 SER H H 579 7.510 7.510 8.035 -0.525 25953 1484 1 4 . 1 1 580 580 GLY N N 580 113.307 113.307 110.095 3.212 25953 1485 1 4 . 1 1 580 580 GLY C C 580 173.600 173.600 173.509 0.091 25953 1486 1 4 . 1 1 580 580 GLY CA C 580 46.106 46.106 44.816 1.290 25953 1487 1 4 . 1 1 580 580 GLY H H 580 8.196 8.196 8.102 0.094 25953 1488 1 4 . 1 1 581 581 GLU N N 581 116.623 116.623 118.718 -2.095 25953 1489 1 4 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.744 -0.039 25953 1490 1 4 . 1 1 581 581 GLU C C 581 174.750 174.750 174.423 0.327 25953 1491 1 4 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.732 0.137 25953 1492 1 4 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.112 -0.502 25953 1493 1 4 . 1 1 581 581 GLU H H 581 6.994 6.994 7.763 -0.769 25953 1494 1 4 . 1 1 582 582 TRP N N 582 122.364 122.364 117.964 4.400 25953 1495 1 4 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.137 -0.336 25953 1496 1 4 . 1 1 582 582 TRP C C 582 176.750 176.750 176.099 0.651 25953 1497 1 4 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.741 0.292 25953 1498 1 4 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.917 -3.060 25953 1499 1 4 . 1 1 582 582 TRP H H 582 8.841 8.841 8.559 0.282 25953 1500 1 4 . 1 1 583 583 VAL N N 583 115.147 115.147 118.934 -3.787 25953 1501 1 4 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.780 0.336 25953 1502 1 4 . 1 1 583 583 VAL C C 583 175.063 175.063 173.926 1.137 25953 1503 1 4 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.948 -1.550 25953 1504 1 4 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.728 0.041 25953 1505 1 4 . 1 1 583 583 VAL H H 583 9.440 9.440 9.340 0.100 25953 1506 1 4 . 1 1 584 584 TRP N N 584 123.710 123.710 126.696 -2.986 25953 1507 1 4 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.071 0.179 25953 1508 1 4 . 1 1 584 584 TRP C C 584 176.436 176.436 174.895 1.541 25953 1509 1 4 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.922 -0.521 25953 1510 1 4 . 1 1 584 584 TRP CB C 584 28.443 28.443 31.626 -3.183 25953 1511 1 4 . 1 1 584 584 TRP H H 584 9.295 9.295 9.113 0.182 25953 1512 1 4 . 1 1 585 585 LYS N N 585 122.031 122.031 122.784 -0.753 25953 1513 1 4 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.807 -0.244 25953 1514 1 4 . 1 1 585 585 LYS C C 585 178.886 178.886 176.932 1.954 25953 1515 1 4 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.389 1.924 25953 1516 1 4 . 1 1 585 585 LYS CB C 585 33.433 33.433 35.063 -1.630 25953 1517 1 4 . 1 1 585 585 LYS H H 585 8.689 8.689 8.748 -0.059 25953 1518 1 4 . 1 1 586 586 ASN N N 586 123.634 123.634 120.860 2.774 25953 1519 1 4 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.542 0.361 25953 1520 1 4 . 1 1 586 586 ASN C C 586 176.043 176.043 174.070 1.973 25953 1521 1 4 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.364 0.338 25953 1522 1 4 . 1 1 586 586 ASN CB C 586 37.052 37.052 38.131 -1.079 25953 1523 1 4 . 1 1 586 586 ASN H H 586 8.830 8.830 8.994 -0.164 25953 1524 1 4 . 1 1 587 587 THR N N 587 114.536 114.536 114.494 0.042 25953 1525 1 4 . 1 1 587 587 THR HA H 587 5.482 5.482 5.067 0.415 25953 1526 1 4 . 1 1 587 587 THR C C 587 171.882 171.882 173.704 -1.822 25953 1527 1 4 . 1 1 587 587 THR CA C 587 63.252 63.252 62.442 0.810 25953 1528 1 4 . 1 1 587 587 THR CB C 587 73.106 73.106 71.450 1.656 25953 1529 1 4 . 1 1 587 587 THR H H 587 8.179 8.179 7.693 0.486 25953 1530 1 4 . 1 1 588 588 ILE N N 588 120.751 120.751 122.496 -1.745 25953 1531 1 4 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.457 -0.026 25953 1532 1 4 . 1 1 588 588 ILE C C 588 171.550 171.550 173.132 -1.582 25953 1533 1 4 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.553 -0.593 25953 1534 1 4 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.381 1.971 25953 1535 1 4 . 1 1 588 588 ILE H H 588 8.984 8.984 8.998 -0.014 25953 1536 1 4 . 1 1 589 589 GLU N N 589 125.535 125.535 129.320 -3.785 25953 1537 1 4 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.688 0.123 25953 1538 1 4 . 1 1 589 589 GLU C C 589 175.587 175.587 174.253 1.334 25953 1539 1 4 . 1 1 589 589 GLU CA C 589 54.161 54.161 53.798 0.362 25953 1540 1 4 . 1 1 589 589 GLU CB C 589 31.623 31.623 30.602 1.021 25953 1541 1 4 . 1 1 589 589 GLU H H 589 8.337 8.337 8.253 0.084 25953 1542 1 4 . 1 1 590 590 VAL N N 590 126.684 126.684 124.396 2.288 25953 1543 1 4 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.255 -0.268 25953 1544 1 4 . 1 1 590 590 VAL C C 590 176.078 176.078 175.697 0.381 25953 1545 1 4 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.736 0.838 25953 1546 1 4 . 1 1 590 590 VAL CB C 590 33.828 33.828 35.385 -1.557 25953 1547 1 4 . 1 1 590 590 VAL H H 590 9.013 9.013 8.545 0.468 25953 1548 1 4 . 1 1 591 591 ASN N N 591 127.075 127.075 124.272 2.803 25953 1549 1 4 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.347 -0.044 25953 1550 1 4 . 1 1 591 591 ASN C C 591 175.223 175.223 176.092 -0.869 25953 1551 1 4 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.179 -0.131 25953 1552 1 4 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.485 -0.716 25953 1553 1 4 . 1 1 591 591 ASN H H 591 9.347 9.347 9.432 -0.085 25953 1554 1 4 . 1 1 592 592 GLY N N 592 104.628 104.628 104.938 -0.310 25953 1555 1 4 . 1 1 592 592 GLY C C 592 172.842 172.842 174.194 -1.352 25953 1556 1 4 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.902 -0.621 25953 1557 1 4 . 1 1 592 592 GLY H H 592 8.990 8.990 8.105 0.885 25953 1558 1 4 . 1 1 593 593 LYS N N 593 120.387 120.387 119.828 0.559 25953 1559 1 4 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.462 -0.275 25953 1560 1 4 . 1 1 593 593 LYS C C 593 173.344 173.344 174.904 -1.560 25953 1561 1 4 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.177 -1.038 25953 1562 1 4 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.292 0.654 25953 1563 1 4 . 1 1 593 593 LYS H H 593 7.485 7.485 7.806 -0.321 25953 1564 1 4 . 1 1 594 594 TYR N N 594 119.730 119.730 119.027 0.703 25953 1565 1 4 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.723 0.108 25953 1566 1 4 . 1 1 594 594 TYR C C 594 173.851 173.851 175.368 -1.517 25953 1567 1 4 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.739 -0.811 25953 1568 1 4 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.287 -2.713 25953 1569 1 4 . 1 1 594 594 TYR H H 594 7.092 7.092 7.929 -0.837 25953 1570 1 4 . 1 1 595 595 PHE N N 595 116.435 116.435 117.255 -0.820 25953 1571 1 4 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.801 0.237 25953 1572 1 4 . 1 1 595 595 PHE C C 595 177.013 177.013 174.134 2.879 25953 1573 1 4 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.161 -1.633 25953 1574 1 4 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.198 1.200 25953 1575 1 4 . 1 1 595 595 PHE H H 595 8.459 8.459 8.893 -0.433 25953 1576 1 4 . 1 1 596 596 N N 596 118.187 118.187 10001.300 -9883.110 25953 1577 1 4 . 1 1 596 596 HA H 596 6.064 6.064 9999.550 -9993.490 25953 1578 1 4 . 1 1 596 596 CA C 596 58.668 58.668 9998.570 -9939.900 25953 1579 1 4 . 1 1 596 596 CB C 596 32.486 32.486 10000.800 -9968.310 25953 1580 1 4 . 1 1 596 596 H H 596 9.113 9.113 9999.830 -9990.720 25953 1581 1 4 . 1 1 597 597 SER N N 597 118.403 118.403 120.983 -2.580 25953 1582 1 4 . 1 1 597 597 SER HA H 597 4.798 4.798 4.214 0.584 25953 1583 1 4 . 1 1 597 597 SER C C 597 179.336 179.336 176.557 2.779 25953 1584 1 4 . 1 1 597 597 SER CA C 597 60.633 60.633 62.349 -1.716 25953 1585 1 4 . 1 1 597 597 SER CB C 597 62.965 62.965 63.389 -0.424 25953 1586 1 4 . 1 1 597 597 SER H H 597 8.110 8.110 8.950 -0.840 25953 1587 1 4 . 1 1 598 598 THR N N 598 111.927 111.927 115.323 -3.396 25953 1588 1 4 . 1 1 598 598 THR HA H 598 3.991 3.991 4.214 -0.223 25953 1589 1 4 . 1 1 598 598 THR C C 598 178.244 178.244 176.124 2.120 25953 1590 1 4 . 1 1 598 598 THR CA C 598 64.766 64.766 65.219 -0.453 25953 1591 1 4 . 1 1 598 598 THR CB C 598 67.467 67.467 68.482 -1.015 25953 1592 1 4 . 1 1 598 598 THR H H 598 9.120 9.120 8.563 0.557 25953 1593 1 4 . 1 1 599 599 N N 599 117.596 117.596 10000.800 -9883.200 25953 1594 1 4 . 1 1 599 599 HA H 599 4.055 4.055 9999.030 -9994.980 25953 1595 1 4 . 1 1 599 599 C C 599 177.266 177.266 10000.800 -9823.530 25953 1596 1 4 . 1 1 599 599 CA C 599 63.602 63.602 10002.800 -9939.200 25953 1597 1 4 . 1 1 599 599 CB C 599 30.014 30.014 9997.710 -9967.700 25953 1598 1 4 . 1 1 599 599 H H 599 6.935 6.935 9998.590 -9991.660 25953 1599 1 4 . 1 1 600 600 TYR N N 600 119.532 119.532 120.565 -1.033 25953 1600 1 4 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.948 -0.351 25953 1601 1 4 . 1 1 600 600 TYR C C 600 177.533 177.533 177.568 -0.035 25953 1602 1 4 . 1 1 600 600 TYR CA C 600 62.134 62.134 62.022 0.112 25953 1603 1 4 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.352 1.069 25953 1604 1 4 . 1 1 600 600 TYR H H 600 8.396 8.396 8.865 -0.469 25953 1605 1 4 . 1 1 601 601 N N 601 117.457 117.457 9998.450 -9880.990 25953 1606 1 4 . 1 1 601 601 HA H 601 4.126 4.126 9998.730 -9994.600 25953 1607 1 4 . 1 1 601 601 CA C 601 60.119 60.119 10002.400 -9942.280 25953 1608 1 4 . 1 1 601 601 CB C 601 29.903 29.903 9999.190 -9969.290 25953 1609 1 4 . 1 1 601 601 H H 601 8.417 8.417 9999.250 -9990.830 25953 1610 1 4 . 1 1 602 602 GLU N N 602 118.228 118.228 118.066 0.162 25953 1611 1 4 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.069 0.012 25953 1612 1 4 . 1 1 602 602 GLU C C 602 177.912 177.912 177.967 -0.055 25953 1613 1 4 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.855 0.305 25953 1614 1 4 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.633 0.100 25953 1615 1 4 . 1 1 602 602 GLU H H 602 8.094 8.094 8.061 0.033 25953 1616 1 4 . 1 1 603 603 THR N N 603 111.252 111.252 112.686 -1.434 25953 1617 1 4 . 1 1 603 603 THR HA H 603 4.265 4.265 4.158 0.107 25953 1618 1 4 . 1 1 603 603 THR C C 603 175.279 175.279 175.022 0.257 25953 1619 1 4 . 1 1 603 603 THR CA C 603 63.116 63.116 62.971 0.145 25953 1620 1 4 . 1 1 603 603 THR CB C 603 69.801 69.801 69.293 0.508 25953 1621 1 4 . 1 1 603 603 THR H H 603 7.578 7.578 7.689 -0.111 25953 1622 1 4 . 1 1 604 604 SER N N 604 117.291 117.291 115.347 1.944 25953 1623 1 4 . 1 1 604 604 SER HA H 604 4.221 4.221 3.938 0.283 25953 1624 1 4 . 1 1 604 604 SER C C 604 174.838 174.838 173.981 0.857 25953 1625 1 4 . 1 1 604 604 SER CA C 604 59.105 59.105 58.829 0.276 25953 1626 1 4 . 1 1 604 604 SER CB C 604 63.387 63.387 62.490 0.897 25953 1627 1 4 . 1 1 604 604 SER H H 604 7.849 7.849 7.897 -0.048 25953 1628 1 4 . 1 1 605 605 GLN N N 605 120.747 120.747 119.398 1.349 25953 1629 1 4 . 1 1 605 605 GLN C C 605 175.801 175.801 175.229 0.572 25953 1630 1 4 . 1 1 605 605 GLN CA C 605 56.080 56.080 57.842 -1.762 25953 1631 1 4 . 1 1 605 605 GLN CB C 605 28.926 28.926 28.971 -0.045 25953 1632 1 4 . 1 1 605 605 GLN H H 605 7.971 7.971 7.930 0.041 25953 1633 1 5 . 1 1 535 535 SER HA H 535 4.465 4.465 4.562 -0.097 25953 1634 1 5 . 1 1 535 535 SER C C 535 174.718 174.718 174.448 0.270 25953 1635 1 5 . 1 1 535 535 SER CA C 535 58.323 58.323 57.728 0.595 25953 1636 1 5 . 1 1 535 535 SER CB C 535 63.845 63.845 65.723 -1.878 25953 1637 1 5 . 1 1 536 536 GLU N N 536 122.899 122.899 121.251 1.648 25953 1638 1 5 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.374 -0.173 25953 1639 1 5 . 1 1 536 536 GLU C C 536 176.241 176.241 175.443 0.798 25953 1640 1 5 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.788 0.289 25953 1641 1 5 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.955 -0.123 25953 1642 1 5 . 1 1 536 536 GLU H H 536 8.638 8.638 8.597 0.041 25953 1643 1 5 . 1 1 537 537 PHE N N 537 120.390 120.390 120.796 -0.406 25953 1644 1 5 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.422 0.219 25953 1645 1 5 . 1 1 537 537 PHE C C 537 176.005 176.005 174.593 1.412 25953 1646 1 5 . 1 1 537 537 PHE CA C 537 57.804 57.804 58.975 -1.171 25953 1647 1 5 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.322 0.129 25953 1648 1 5 . 1 1 537 537 PHE H H 537 8.266 8.266 7.655 0.611 25953 1649 1 5 . 1 1 538 538 SER N N 538 117.148 117.148 120.838 -3.690 25953 1650 1 5 . 1 1 538 538 SER HA H 538 4.399 4.399 4.164 0.235 25953 1651 1 5 . 1 1 538 538 SER C C 538 174.167 174.167 172.522 1.645 25953 1652 1 5 . 1 1 538 538 SER CA C 538 58.437 58.437 57.582 0.855 25953 1653 1 5 . 1 1 538 538 SER CB C 538 63.956 63.956 64.607 -0.651 25953 1654 1 5 . 1 1 538 538 SER H H 538 8.194 8.194 7.540 0.654 25953 1655 1 5 . 1 1 539 539 ASP N N 539 122.404 122.404 122.329 0.075 25953 1656 1 5 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.698 -0.112 25953 1657 1 5 . 1 1 539 539 ASP C C 539 176.496 176.496 175.365 1.131 25953 1658 1 5 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.796 -0.325 25953 1659 1 5 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.231 -0.210 25953 1660 1 5 . 1 1 539 539 ASP H H 539 8.333 8.333 8.267 0.066 25953 1661 1 5 . 1 1 540 540 ARG N N 540 121.337 121.337 124.667 -3.330 25953 1662 1 5 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.547 -0.184 25953 1663 1 5 . 1 1 540 540 ARG C C 540 176.889 176.889 175.718 1.171 25953 1664 1 5 . 1 1 540 540 ARG CA C 540 56.406 56.406 54.916 1.490 25953 1665 1 5 . 1 1 540 540 ARG CB C 540 30.365 30.365 32.118 -1.754 25953 1666 1 5 . 1 1 540 540 ARG H H 540 8.293 8.293 8.168 0.125 25953 1667 1 5 . 1 1 541 541 SER N N 541 116.606 116.606 116.002 0.604 25953 1668 1 5 . 1 1 541 541 SER HA H 541 4.319 4.319 4.540 -0.221 25953 1669 1 5 . 1 1 541 541 SER C C 541 175.060 175.060 175.936 -0.876 25953 1670 1 5 . 1 1 541 541 SER CA C 541 59.655 59.655 57.373 2.282 25953 1671 1 5 . 1 1 541 541 SER CB C 541 63.417 63.417 64.228 -0.811 25953 1672 1 5 . 1 1 541 541 SER H H 541 8.369 8.369 8.456 -0.087 25953 1673 1 5 . 1 1 542 542 ASN N N 542 120.759 120.759 121.138 -0.379 25953 1674 1 5 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.534 0.166 25953 1675 1 5 . 1 1 542 542 ASN C C 542 175.903 175.903 176.509 -0.606 25953 1676 1 5 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.880 -1.092 25953 1677 1 5 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.090 0.638 25953 1678 1 5 . 1 1 542 542 ASN H H 542 8.451 8.451 8.874 -0.423 25953 1679 1 5 . 1 1 543 543 GLU N N 543 120.886 120.886 120.062 0.824 25953 1680 1 5 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.091 -0.100 25953 1681 1 5 . 1 1 543 543 GLU C C 543 177.658 177.658 178.674 -1.016 25953 1682 1 5 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.118 -0.329 25953 1683 1 5 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.133 0.621 25953 1684 1 5 . 1 1 543 543 GLU H H 543 8.257 8.257 8.762 -0.505 25953 1685 1 5 . 1 1 544 544 LEU N N 544 119.978 119.978 117.312 2.666 25953 1686 1 5 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.262 -0.175 25953 1687 1 5 . 1 1 544 544 LEU C C 544 179.340 179.340 178.123 1.217 25953 1688 1 5 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.208 0.991 25953 1689 1 5 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.729 -0.118 25953 1690 1 5 . 1 1 544 544 LEU H H 544 8.104 8.104 7.353 0.751 25953 1691 1 5 . 1 1 545 545 GLU N N 545 120.432 120.432 119.105 1.327 25953 1692 1 5 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.342 -0.282 25953 1693 1 5 . 1 1 545 545 GLU C C 545 178.371 178.371 179.194 -0.823 25953 1694 1 5 . 1 1 545 545 GLU CA C 545 58.243 58.243 57.568 0.675 25953 1695 1 5 . 1 1 545 545 GLU CB C 545 29.565 29.565 31.526 -1.962 25953 1696 1 5 . 1 1 545 545 GLU H H 545 7.995 7.995 7.572 0.423 25953 1697 1 5 . 1 1 546 546 ILE N N 546 119.751 119.751 120.923 -1.172 25953 1698 1 5 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.741 -0.117 25953 1699 1 5 . 1 1 546 546 ILE C C 546 178.857 178.857 177.938 0.919 25953 1700 1 5 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.036 -0.197 25953 1701 1 5 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.770 0.884 25953 1702 1 5 . 1 1 546 546 ILE H H 546 7.828 7.828 7.757 0.071 25953 1703 1 5 . 1 1 547 547 ARG N N 547 120.304 120.304 118.685 1.619 25953 1704 1 5 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.173 0.184 25953 1705 1 5 . 1 1 547 547 ARG C C 547 176.842 176.842 178.173 -1.331 25953 1706 1 5 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.585 -0.710 25953 1707 1 5 . 1 1 547 547 ARG CB C 547 30.460 30.460 29.910 0.550 25953 1708 1 5 . 1 1 547 547 ARG H H 547 8.313 8.313 8.263 0.050 25953 1709 1 5 . 1 1 548 548 GLY N N 548 104.777 104.777 105.576 -0.799 25953 1710 1 5 . 1 1 548 548 GLY C C 548 175.105 175.105 174.818 0.287 25953 1711 1 5 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.816 0.644 25953 1712 1 5 . 1 1 548 548 GLY H H 548 7.823 7.823 7.717 0.106 25953 1713 1 5 . 1 1 549 549 LYS N N 549 122.134 122.134 120.976 1.158 25953 1714 1 5 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.343 0.034 25953 1715 1 5 . 1 1 549 549 LYS C C 549 175.156 175.156 175.658 -0.502 25953 1716 1 5 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.072 1.301 25953 1717 1 5 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.392 -0.245 25953 1718 1 5 . 1 1 549 549 LYS H H 549 7.257 7.257 7.385 -0.128 25953 1719 1 5 . 1 1 550 550 TYR N N 550 117.482 117.482 118.928 -1.446 25953 1720 1 5 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.789 -0.031 25953 1721 1 5 . 1 1 550 550 TYR C C 550 174.650 174.650 173.891 0.759 25953 1722 1 5 . 1 1 550 550 TYR CA C 550 56.030 56.030 54.867 1.163 25953 1723 1 5 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.932 0.295 25953 1724 1 5 . 1 1 550 550 TYR H H 550 8.108 8.108 8.253 -0.145 25953 1725 1 5 . 1 1 551 551 VAL N N 551 117.964 117.964 119.395 -1.431 25953 1726 1 5 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.301 0.158 25953 1727 1 5 . 1 1 551 551 VAL C C 551 174.974 174.974 174.675 0.299 25953 1728 1 5 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.383 -1.345 25953 1729 1 5 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.328 1.465 25953 1730 1 5 . 1 1 551 551 VAL H H 551 8.549 8.549 8.349 0.200 25953 1731 1 5 . 1 1 552 552 VAL N N 552 126.679 126.679 127.430 -0.751 25953 1732 1 5 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.195 -0.036 25953 1733 1 5 . 1 1 552 552 VAL C C 552 175.545 175.545 175.634 -0.089 25953 1734 1 5 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.472 0.680 25953 1735 1 5 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.442 -0.484 25953 1736 1 5 . 1 1 552 552 VAL H H 552 8.642 8.642 8.337 0.305 25953 1737 1 5 . 1 1 553 553 VAL N N 553 129.744 129.744 128.796 0.948 25953 1738 1 5 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.430 -1.971 25953 1739 1 5 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.121 3.046 25953 1740 1 5 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.781 -2.397 25953 1741 1 5 . 1 1 553 553 VAL H H 553 8.341 8.341 8.432 -0.091 25953 1742 1 5 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.670 -0.282 25953 1743 1 5 . 1 1 554 554 PRO C C 554 178.374 178.374 177.525 0.849 25953 1744 1 5 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.434 0.142 25953 1745 1 5 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.795 -0.040 25953 1746 1 5 . 1 1 555 555 GLU N N 555 122.440 122.440 121.410 1.030 25953 1747 1 5 . 1 1 555 555 GLU HA H 555 4.054 4.054 4.207 -0.153 25953 1748 1 5 . 1 1 555 555 GLU C C 555 176.757 176.757 178.745 -1.988 25953 1749 1 5 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.774 -1.273 25953 1750 1 5 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.454 -0.042 25953 1751 1 5 . 1 1 555 555 GLU H H 555 8.904 8.904 8.882 0.022 25953 1752 1 5 . 1 1 556 556 THR N N 556 104.703 104.703 109.701 -4.998 25953 1753 1 5 . 1 1 556 556 THR HA H 556 4.152 4.152 4.195 -0.043 25953 1754 1 5 . 1 1 556 556 THR C C 556 175.161 175.161 175.966 -0.805 25953 1755 1 5 . 1 1 556 556 THR CA C 556 61.379 61.379 63.987 -2.608 25953 1756 1 5 . 1 1 556 556 THR CB C 556 68.976 68.976 68.427 0.549 25953 1757 1 5 . 1 1 556 556 THR H H 556 7.160 7.160 8.132 -0.972 25953 1758 1 5 . 1 1 557 557 SER N N 557 116.705 116.705 116.237 0.468 25953 1759 1 5 . 1 1 557 557 SER HA H 557 4.529 4.529 4.325 0.204 25953 1760 1 5 . 1 1 557 557 SER C C 557 175.325 175.325 175.623 -0.298 25953 1761 1 5 . 1 1 557 557 SER CA C 557 58.036 58.036 60.203 -2.167 25953 1762 1 5 . 1 1 557 557 SER CB C 557 63.214 63.214 63.971 -0.757 25953 1763 1 5 . 1 1 557 557 SER H H 557 7.405 7.405 7.753 -0.348 25953 1764 1 5 . 1 1 558 558 GLN N N 558 127.356 127.356 118.060 9.296 25953 1765 1 5 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.991 0.178 25953 1766 1 5 . 1 1 558 558 GLN C C 558 176.491 176.491 176.347 0.144 25953 1767 1 5 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.648 -1.054 25953 1768 1 5 . 1 1 558 558 GLN CB C 558 28.773 28.773 26.833 1.940 25953 1769 1 5 . 1 1 558 558 GLN H H 558 8.915 8.915 8.040 0.875 25953 1770 1 5 . 1 1 559 559 ASP N N 559 116.840 116.840 118.352 -1.512 25953 1771 1 5 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.726 -0.241 25953 1772 1 5 . 1 1 559 559 ASP C C 559 175.554 175.554 176.249 -0.695 25953 1773 1 5 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.791 -0.589 25953 1774 1 5 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.662 -1.136 25953 1775 1 5 . 1 1 559 559 ASP H H 559 8.275 8.275 8.214 0.061 25953 1776 1 5 . 1 1 560 560 MET N N 560 112.866 112.866 115.329 -2.463 25953 1777 1 5 . 1 1 560 560 MET HA H 560 3.899 3.899 3.715 0.184 25953 1778 1 5 . 1 1 560 560 MET C C 560 175.044 175.044 174.166 0.878 25953 1779 1 5 . 1 1 560 560 MET CA C 560 56.400 56.400 55.729 0.671 25953 1780 1 5 . 1 1 560 560 MET CB C 560 30.933 30.933 30.148 0.786 25953 1781 1 5 . 1 1 560 560 MET H H 560 7.935 7.935 7.523 0.412 25953 1782 1 5 . 1 1 561 561 ALA N N 561 122.207 122.207 119.994 2.213 25953 1783 1 5 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.737 0.174 25953 1784 1 5 . 1 1 561 561 ALA C C 561 176.577 176.577 175.810 0.767 25953 1785 1 5 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.460 -0.483 25953 1786 1 5 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.241 1.046 25953 1787 1 5 . 1 1 561 561 ALA H H 561 7.910 7.910 7.894 0.016 25953 1788 1 5 . 1 1 562 562 PHE N N 562 117.027 117.027 121.861 -4.834 25953 1789 1 5 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.732 -0.096 25953 1790 1 5 . 1 1 562 562 PHE C C 562 170.988 170.988 173.260 -2.272 25953 1791 1 5 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.694 -0.464 25953 1792 1 5 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.318 -2.272 25953 1793 1 5 . 1 1 562 562 PHE H H 562 8.075 8.075 8.253 -0.178 25953 1794 1 5 . 1 1 563 563 LYS N N 563 120.420 120.420 125.883 -5.463 25953 1795 1 5 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.665 -0.165 25953 1796 1 5 . 1 1 563 563 LYS C C 563 176.093 176.093 175.594 0.499 25953 1797 1 5 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.126 -1.324 25953 1798 1 5 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.593 1.086 25953 1799 1 5 . 1 1 563 563 LYS H H 563 8.392 8.392 7.555 0.837 25953 1800 1 5 . 1 1 564 564 N N 564 132.535 132.535 10008.000 -9875.460 25953 1801 1 5 . 1 1 564 564 HA H 564 4.639 4.639 9999.010 -9994.370 25953 1802 1 5 . 1 1 564 564 C C 564 175.820 175.820 9998.260 -9822.440 25953 1803 1 5 . 1 1 564 564 CA C 564 57.545 57.545 9996.190 -9938.650 25953 1804 1 5 . 1 1 564 564 CB C 564 30.650 30.650 9998.080 -9967.430 25953 1805 1 5 . 1 1 564 564 H H 564 8.456 8.456 9999.420 -9990.960 25953 1806 1 5 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.351 0.029 25953 1807 1 5 . 1 1 565 565 PRO C C 565 177.300 177.300 178.178 -0.878 25953 1808 1 5 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.016 -0.623 25953 1809 1 5 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.833 1.172 25953 1810 1 5 . 1 1 566 566 ILE N N 566 118.529 118.529 118.287 0.242 25953 1811 1 5 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.958 0.173 25953 1812 1 5 . 1 1 566 566 ILE C C 566 176.361 176.361 177.269 -0.908 25953 1813 1 5 . 1 1 566 566 ILE CA C 566 63.699 63.699 64.674 -0.975 25953 1814 1 5 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.349 0.448 25953 1815 1 5 . 1 1 566 566 ILE H H 566 8.528 8.528 7.964 0.564 25953 1816 1 5 . 1 1 567 567 N N 567 116.646 116.646 9993.240 -9876.590 25953 1817 1 5 . 1 1 567 567 HA H 567 4.932 4.932 9999.260 -9994.330 25953 1818 1 5 . 1 1 567 567 C C 567 176.175 176.175 9999.300 -9823.120 25953 1819 1 5 . 1 1 567 567 CA C 567 58.801 58.801 9997.020 -9938.220 25953 1820 1 5 . 1 1 567 567 CB C 567 31.243 31.243 9999.910 -9968.670 25953 1821 1 5 . 1 1 567 567 H H 567 7.770 7.770 9998.510 -9990.740 25953 1822 1 5 . 1 1 568 568 LYS N N 568 116.867 116.867 120.033 -3.166 25953 1823 1 5 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.045 -0.030 25953 1824 1 5 . 1 1 568 568 LYS C C 568 175.290 175.290 175.124 0.166 25953 1825 1 5 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.459 0.415 25953 1826 1 5 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.925 -1.290 25953 1827 1 5 . 1 1 568 568 LYS H H 568 8.038 8.038 8.321 -0.283 25953 1828 1 5 . 1 1 569 569 GLU N N 569 120.683 120.683 118.111 2.572 25953 1829 1 5 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.673 -0.201 25953 1830 1 5 . 1 1 569 569 GLU C C 569 175.851 175.851 175.777 0.074 25953 1831 1 5 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.676 1.525 25953 1832 1 5 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.910 -1.567 25953 1833 1 5 . 1 1 569 569 GLU H H 569 8.380 8.380 7.657 0.723 25953 1834 1 5 . 1 1 570 570 THR N N 570 118.082 118.082 119.626 -1.544 25953 1835 1 5 . 1 1 570 570 THR HA H 570 4.378 4.378 4.733 -0.355 25953 1836 1 5 . 1 1 570 570 THR C C 570 174.070 174.070 174.688 -0.618 25953 1837 1 5 . 1 1 570 570 THR CA C 570 63.174 63.174 63.477 -0.303 25953 1838 1 5 . 1 1 570 570 THR CB C 570 69.853 69.853 69.187 0.666 25953 1839 1 5 . 1 1 570 570 THR H H 570 8.565 8.565 8.643 -0.078 25953 1840 1 5 . 1 1 571 571 VAL N N 571 132.533 132.533 129.846 2.687 25953 1841 1 5 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.461 -0.590 25953 1842 1 5 . 1 1 571 571 VAL C C 571 174.198 174.198 174.818 -0.620 25953 1843 1 5 . 1 1 571 571 VAL CA C 571 62.070 62.070 61.102 0.968 25953 1844 1 5 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.201 -1.271 25953 1845 1 5 . 1 1 571 571 VAL H H 571 8.740 8.740 8.940 -0.200 25953 1846 1 5 . 1 1 572 572 THR N N 572 116.229 116.229 122.051 -5.822 25953 1847 1 5 . 1 1 572 572 THR HA H 572 5.243 5.243 5.145 0.098 25953 1848 1 5 . 1 1 572 572 THR C C 572 175.803 175.803 175.307 0.496 25953 1849 1 5 . 1 1 572 572 THR CA C 572 60.095 60.095 60.231 -0.136 25953 1850 1 5 . 1 1 572 572 THR CB C 572 70.889 70.889 70.721 0.168 25953 1851 1 5 . 1 1 572 572 THR H H 572 8.089 8.089 8.114 -0.025 25953 1852 1 5 . 1 1 573 573 GLY N N 573 110.544 110.544 110.680 -0.136 25953 1853 1 5 . 1 1 573 573 GLY C C 573 172.769 172.769 173.787 -1.018 25953 1854 1 5 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.611 1.823 25953 1855 1 5 . 1 1 573 573 GLY H H 573 8.871 8.871 8.280 0.591 25953 1856 1 5 . 1 1 574 574 VAL N N 574 120.833 120.833 119.083 1.750 25953 1857 1 5 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.546 0.281 25953 1858 1 5 . 1 1 574 574 VAL C C 574 173.472 173.472 173.908 -0.436 25953 1859 1 5 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.638 0.363 25953 1860 1 5 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.576 0.063 25953 1861 1 5 . 1 1 574 574 VAL H H 574 9.473 9.473 8.884 0.589 25953 1862 1 5 . 1 1 575 575 TYR N N 575 126.796 126.796 125.977 0.819 25953 1863 1 5 . 1 1 575 575 TYR HA H 575 3.561 3.561 5.031 -1.470 25953 1864 1 5 . 1 1 575 575 TYR C C 575 174.622 174.622 175.227 -0.605 25953 1865 1 5 . 1 1 575 575 TYR CA C 575 58.232 58.232 57.885 0.347 25953 1866 1 5 . 1 1 575 575 TYR CB C 575 37.264 37.264 39.330 -2.066 25953 1867 1 5 . 1 1 575 575 TYR H H 575 8.410 8.410 8.864 -0.454 25953 1868 1 5 . 1 1 576 576 ASP N N 576 130.548 130.548 127.751 2.797 25953 1869 1 5 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.500 -0.070 25953 1870 1 5 . 1 1 576 576 ASP C C 576 174.399 174.399 175.679 -1.280 25953 1871 1 5 . 1 1 576 576 ASP CA C 576 52.509 52.509 53.131 -0.622 25953 1872 1 5 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.176 -0.164 25953 1873 1 5 . 1 1 576 576 ASP H H 576 8.228 8.228 8.472 -0.244 25953 1874 1 5 . 1 1 577 577 GLU N N 577 125.178 125.178 124.401 0.777 25953 1875 1 5 . 1 1 577 577 GLU HA H 577 3.579 3.579 3.872 -0.293 25953 1876 1 5 . 1 1 577 577 GLU C C 577 178.103 178.103 177.342 0.761 25953 1877 1 5 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.299 1.408 25953 1878 1 5 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.017 0.493 25953 1879 1 5 . 1 1 577 577 GLU H H 577 8.480 8.480 8.683 -0.203 25953 1880 1 5 . 1 1 578 578 GLU N N 578 117.933 117.933 119.527 -1.594 25953 1881 1 5 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.261 -0.292 25953 1882 1 5 . 1 1 578 578 GLU C C 578 177.632 177.632 177.840 -0.208 25953 1883 1 5 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.981 1.058 25953 1884 1 5 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.872 -0.486 25953 1885 1 5 . 1 1 578 578 GLU H H 578 8.126 8.126 8.047 0.079 25953 1886 1 5 . 1 1 579 579 SER N N 579 111.483 111.483 112.866 -1.383 25953 1887 1 5 . 1 1 579 579 SER HA H 579 4.343 4.343 4.525 -0.182 25953 1888 1 5 . 1 1 579 579 SER C C 579 176.070 176.070 174.765 1.305 25953 1889 1 5 . 1 1 579 579 SER CA C 579 58.557 58.557 58.223 0.334 25953 1890 1 5 . 1 1 579 579 SER CB C 579 64.809 64.809 64.271 0.538 25953 1891 1 5 . 1 1 579 579 SER H H 579 7.510 7.510 8.399 -0.889 25953 1892 1 5 . 1 1 580 580 GLY N N 580 113.307 113.307 107.925 5.382 25953 1893 1 5 . 1 1 580 580 GLY C C 580 173.600 173.600 173.771 -0.171 25953 1894 1 5 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.037 1.069 25953 1895 1 5 . 1 1 580 580 GLY H H 580 8.196 8.196 7.823 0.373 25953 1896 1 5 . 1 1 581 581 GLU N N 581 116.623 116.623 118.272 -1.649 25953 1897 1 5 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.742 -0.037 25953 1898 1 5 . 1 1 581 581 GLU C C 581 174.750 174.750 174.798 -0.048 25953 1899 1 5 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.954 -0.085 25953 1900 1 5 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.650 -0.040 25953 1901 1 5 . 1 1 581 581 GLU H H 581 6.994 6.994 7.937 -0.943 25953 1902 1 5 . 1 1 582 582 TRP N N 582 122.364 122.364 118.088 4.276 25953 1903 1 5 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.100 -0.299 25953 1904 1 5 . 1 1 582 582 TRP C C 582 176.750 176.750 176.234 0.516 25953 1905 1 5 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.058 0.975 25953 1906 1 5 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.771 -1.914 25953 1907 1 5 . 1 1 582 582 TRP H H 582 8.841 8.841 8.498 0.343 25953 1908 1 5 . 1 1 583 583 VAL N N 583 115.147 115.147 119.184 -4.037 25953 1909 1 5 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.020 0.096 25953 1910 1 5 . 1 1 583 583 VAL C C 583 175.063 175.063 174.234 0.829 25953 1911 1 5 . 1 1 583 583 VAL CA C 583 59.398 59.398 59.866 -0.468 25953 1912 1 5 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.852 -0.083 25953 1913 1 5 . 1 1 583 583 VAL H H 583 9.440 9.440 9.356 0.084 25953 1914 1 5 . 1 1 584 584 TRP N N 584 123.710 123.710 126.019 -2.309 25953 1915 1 5 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.137 0.113 25953 1916 1 5 . 1 1 584 584 TRP C C 584 176.436 176.436 174.957 1.479 25953 1917 1 5 . 1 1 584 584 TRP CA C 584 54.401 54.401 55.068 -0.667 25953 1918 1 5 . 1 1 584 584 TRP CB C 584 28.443 28.443 29.893 -1.450 25953 1919 1 5 . 1 1 584 584 TRP H H 584 9.295 9.295 8.905 0.390 25953 1920 1 5 . 1 1 585 585 LYS N N 585 122.031 122.031 124.567 -2.536 25953 1921 1 5 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.620 -0.057 25953 1922 1 5 . 1 1 585 585 LYS C C 585 178.886 178.886 177.612 1.274 25953 1923 1 5 . 1 1 585 585 LYS CA C 585 56.313 56.313 56.343 -0.030 25953 1924 1 5 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.429 -0.996 25953 1925 1 5 . 1 1 585 585 LYS H H 585 8.689 8.689 8.708 -0.019 25953 1926 1 5 . 1 1 586 586 ASN N N 586 123.634 123.634 119.288 4.346 25953 1927 1 5 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.444 0.459 25953 1928 1 5 . 1 1 586 586 ASN C C 586 176.043 176.043 174.001 2.042 25953 1929 1 5 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.779 -0.077 25953 1930 1 5 . 1 1 586 586 ASN CB C 586 37.052 37.052 36.747 0.305 25953 1931 1 5 . 1 1 586 586 ASN H H 586 8.830 8.830 9.031 -0.201 25953 1932 1 5 . 1 1 587 587 THR N N 587 114.536 114.536 114.847 -0.311 25953 1933 1 5 . 1 1 587 587 THR HA H 587 5.482 5.482 5.192 0.290 25953 1934 1 5 . 1 1 587 587 THR C C 587 171.882 171.882 173.297 -1.415 25953 1935 1 5 . 1 1 587 587 THR CA C 587 63.252 63.252 61.905 1.347 25953 1936 1 5 . 1 1 587 587 THR CB C 587 73.106 73.106 72.292 0.814 25953 1937 1 5 . 1 1 587 587 THR H H 587 8.179 8.179 8.003 0.176 25953 1938 1 5 . 1 1 588 588 ILE N N 588 120.751 120.751 121.043 -0.292 25953 1939 1 5 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.439 -0.008 25953 1940 1 5 . 1 1 588 588 ILE C C 588 171.550 171.550 172.802 -1.252 25953 1941 1 5 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.197 -0.237 25953 1942 1 5 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.556 1.796 25953 1943 1 5 . 1 1 588 588 ILE H H 588 8.984 8.984 9.058 -0.074 25953 1944 1 5 . 1 1 589 589 GLU N N 589 125.535 125.535 128.130 -2.595 25953 1945 1 5 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.851 -0.040 25953 1946 1 5 . 1 1 589 589 GLU C C 589 175.587 175.587 174.627 0.960 25953 1947 1 5 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.257 -0.096 25953 1948 1 5 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.716 -0.093 25953 1949 1 5 . 1 1 589 589 GLU H H 589 8.337 8.337 8.211 0.126 25953 1950 1 5 . 1 1 590 590 VAL N N 590 126.684 126.684 126.171 0.513 25953 1951 1 5 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.337 -0.350 25953 1952 1 5 . 1 1 590 590 VAL C C 590 176.078 176.078 175.800 0.278 25953 1953 1 5 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.960 0.614 25953 1954 1 5 . 1 1 590 590 VAL CB C 590 33.828 33.828 33.776 0.052 25953 1955 1 5 . 1 1 590 590 VAL H H 590 9.013 9.013 9.047 -0.034 25953 1956 1 5 . 1 1 591 591 ASN N N 591 127.075 127.075 125.984 1.091 25953 1957 1 5 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.347 -0.044 25953 1958 1 5 . 1 1 591 591 ASN C C 591 175.223 175.223 175.510 -0.287 25953 1959 1 5 . 1 1 591 591 ASN CA C 591 54.048 54.048 55.337 -1.289 25953 1960 1 5 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.333 -0.564 25953 1961 1 5 . 1 1 591 591 ASN H H 591 9.347 9.347 9.298 0.049 25953 1962 1 5 . 1 1 592 592 GLY N N 592 104.628 104.628 106.617 -1.989 25953 1963 1 5 . 1 1 592 592 GLY C C 592 172.842 172.842 173.256 -0.414 25953 1964 1 5 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.828 0.453 25953 1965 1 5 . 1 1 592 592 GLY H H 592 8.990 8.990 8.105 0.885 25953 1966 1 5 . 1 1 593 593 LYS N N 593 120.387 120.387 121.066 -0.679 25953 1967 1 5 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.541 -0.354 25953 1968 1 5 . 1 1 593 593 LYS C C 593 173.344 173.344 174.801 -1.457 25953 1969 1 5 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.859 -0.720 25953 1970 1 5 . 1 1 593 593 LYS CB C 593 34.946 34.946 35.694 -0.748 25953 1971 1 5 . 1 1 593 593 LYS H H 593 7.485 7.485 8.002 -0.517 25953 1972 1 5 . 1 1 594 594 TYR N N 594 119.730 119.730 119.626 0.104 25953 1973 1 5 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.900 -0.069 25953 1974 1 5 . 1 1 594 594 TYR C C 594 173.851 173.851 175.790 -1.939 25953 1975 1 5 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.537 -0.609 25953 1976 1 5 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.766 -3.192 25953 1977 1 5 . 1 1 594 594 TYR H H 594 7.092 7.092 8.120 -1.028 25953 1978 1 5 . 1 1 595 595 PHE N N 595 116.435 116.435 117.431 -0.996 25953 1979 1 5 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.717 0.321 25953 1980 1 5 . 1 1 595 595 PHE C C 595 177.013 177.013 173.999 3.014 25953 1981 1 5 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.353 -1.825 25953 1982 1 5 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.131 1.267 25953 1983 1 5 . 1 1 595 595 PHE H H 595 8.459 8.459 8.955 -0.496 25953 1984 1 5 . 1 1 596 596 N N 596 118.187 118.187 10001.400 -9883.210 25953 1985 1 5 . 1 1 596 596 HA H 596 6.064 6.064 9999.560 -9993.500 25953 1986 1 5 . 1 1 596 596 CA C 596 58.668 58.668 9999.040 -9940.370 25953 1987 1 5 . 1 1 596 596 CB C 596 32.486 32.486 10000.600 -9968.110 25953 1988 1 5 . 1 1 596 596 H H 596 9.113 9.113 9999.320 -9990.210 25953 1989 1 5 . 1 1 597 597 SER N N 597 118.403 118.403 121.582 -3.179 25953 1990 1 5 . 1 1 597 597 SER HA H 597 4.798 4.798 4.249 0.549 25953 1991 1 5 . 1 1 597 597 SER C C 597 179.336 179.336 176.717 2.619 25953 1992 1 5 . 1 1 597 597 SER CA C 597 60.633 60.633 62.115 -1.482 25953 1993 1 5 . 1 1 597 597 SER CB C 597 62.965 62.965 63.454 -0.489 25953 1994 1 5 . 1 1 597 597 SER H H 597 8.110 8.110 9.082 -0.972 25953 1995 1 5 . 1 1 598 598 THR N N 598 111.927 111.927 116.524 -4.597 25953 1996 1 5 . 1 1 598 598 THR HA H 598 3.991 3.991 4.255 -0.264 25953 1997 1 5 . 1 1 598 598 THR C C 598 178.244 178.244 175.629 2.615 25953 1998 1 5 . 1 1 598 598 THR CA C 598 64.766 64.766 64.932 -0.166 25953 1999 1 5 . 1 1 598 598 THR CB C 598 67.467 67.467 68.271 -0.804 25953 2000 1 5 . 1 1 598 598 THR H H 598 9.120 9.120 8.530 0.590 25953 2001 1 5 . 1 1 599 599 N N 599 117.596 117.596 9999.460 -9881.860 25953 2002 1 5 . 1 1 599 599 HA H 599 4.055 4.055 9999.030 -9994.980 25953 2003 1 5 . 1 1 599 599 C C 599 177.266 177.266 10000.900 -9823.630 25953 2004 1 5 . 1 1 599 599 CA C 599 63.602 63.602 10002.200 -9938.600 25953 2005 1 5 . 1 1 599 599 CB C 599 30.014 30.014 9997.860 -9967.850 25953 2006 1 5 . 1 1 599 599 H H 599 6.935 6.935 9998.790 -9991.860 25953 2007 1 5 . 1 1 600 600 TYR N N 600 119.532 119.532 121.234 -1.702 25953 2008 1 5 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.092 -0.495 25953 2009 1 5 . 1 1 600 600 TYR C C 600 177.533 177.533 177.779 -0.246 25953 2010 1 5 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.340 0.794 25953 2011 1 5 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.212 1.209 25953 2012 1 5 . 1 1 600 600 TYR H H 600 8.396 8.396 8.867 -0.471 25953 2013 1 5 . 1 1 601 601 N N 601 117.457 117.457 9998.340 -9880.880 25953 2014 1 5 . 1 1 601 601 HA H 601 4.126 4.126 9998.620 -9994.490 25953 2015 1 5 . 1 1 601 601 CA C 601 60.119 60.119 10001.800 -9941.680 25953 2016 1 5 . 1 1 601 601 CB C 601 29.903 29.903 9999.050 -9969.150 25953 2017 1 5 . 1 1 601 601 H H 601 8.417 8.417 9999.230 -9990.810 25953 2018 1 5 . 1 1 602 602 GLU N N 602 118.228 118.228 117.369 0.859 25953 2019 1 5 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.136 -0.055 25953 2020 1 5 . 1 1 602 602 GLU C C 602 177.912 177.912 177.269 0.643 25953 2021 1 5 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.837 0.323 25953 2022 1 5 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.382 -0.649 25953 2023 1 5 . 1 1 602 602 GLU H H 602 8.094 8.094 7.773 0.321 25953 2024 1 5 . 1 1 603 603 THR N N 603 111.252 111.252 113.312 -2.060 25953 2025 1 5 . 1 1 603 603 THR HA H 603 4.265 4.265 4.337 -0.072 25953 2026 1 5 . 1 1 603 603 THR C C 603 175.279 175.279 173.735 1.544 25953 2027 1 5 . 1 1 603 603 THR CA C 603 63.116 63.116 61.481 1.635 25953 2028 1 5 . 1 1 603 603 THR CB C 603 69.801 69.801 69.411 0.390 25953 2029 1 5 . 1 1 603 603 THR H H 603 7.578 7.578 7.407 0.171 25953 2030 1 5 . 1 1 604 604 SER N N 604 117.291 117.291 117.148 0.143 25953 2031 1 5 . 1 1 604 604 SER HA H 604 4.221 4.221 3.134 1.087 25953 2032 1 5 . 1 1 604 604 SER C C 604 174.838 174.838 173.789 1.049 25953 2033 1 5 . 1 1 604 604 SER CA C 604 59.105 59.105 58.840 0.265 25953 2034 1 5 . 1 1 604 604 SER CB C 604 63.387 63.387 63.332 0.055 25953 2035 1 5 . 1 1 604 604 SER H H 604 7.849 7.849 7.683 0.166 25953 2036 1 5 . 1 1 605 605 GLN N N 605 120.747 120.747 128.393 -7.646 25953 2037 1 5 . 1 1 605 605 GLN C C 605 175.801 175.801 173.777 2.024 25953 2038 1 5 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.501 0.579 25953 2039 1 5 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.099 -1.173 25953 2040 1 5 . 1 1 605 605 GLN H H 605 7.971 7.971 8.052 -0.081 25953 2041 1 6 . 1 1 535 535 SER HA H 535 4.465 4.465 4.556 -0.091 25953 2042 1 6 . 1 1 535 535 SER C C 535 174.718 174.718 175.054 -0.336 25953 2043 1 6 . 1 1 535 535 SER CA C 535 58.323 58.323 58.180 0.143 25953 2044 1 6 . 1 1 535 535 SER CB C 535 63.845 63.845 64.004 -0.159 25953 2045 1 6 . 1 1 536 536 GLU N N 536 122.899 122.899 122.762 0.137 25953 2046 1 6 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.253 -0.052 25953 2047 1 6 . 1 1 536 536 GLU C C 536 176.241 176.241 175.381 0.860 25953 2048 1 6 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.729 0.348 25953 2049 1 6 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.055 -0.223 25953 2050 1 6 . 1 1 536 536 GLU H H 536 8.638 8.638 8.385 0.253 25953 2051 1 6 . 1 1 537 537 PHE N N 537 120.390 120.390 121.752 -1.362 25953 2052 1 6 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.715 -0.074 25953 2053 1 6 . 1 1 537 537 PHE C C 537 176.005 176.005 175.409 0.596 25953 2054 1 6 . 1 1 537 537 PHE CA C 537 57.804 57.804 58.376 -0.572 25953 2055 1 6 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.772 -0.322 25953 2056 1 6 . 1 1 537 537 PHE H H 537 8.266 8.266 8.411 -0.145 25953 2057 1 6 . 1 1 538 538 SER N N 538 117.148 117.148 118.991 -1.843 25953 2058 1 6 . 1 1 538 538 SER HA H 538 4.399 4.399 4.378 0.021 25953 2059 1 6 . 1 1 538 538 SER C C 538 174.167 174.167 172.427 1.740 25953 2060 1 6 . 1 1 538 538 SER CA C 538 58.437 58.437 56.577 1.860 25953 2061 1 6 . 1 1 538 538 SER CB C 538 63.956 63.956 64.152 -0.196 25953 2062 1 6 . 1 1 538 538 SER H H 538 8.194 8.194 7.420 0.774 25953 2063 1 6 . 1 1 539 539 ASP N N 539 122.404 122.404 122.066 0.338 25953 2064 1 6 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.518 0.068 25953 2065 1 6 . 1 1 539 539 ASP C C 539 176.496 176.496 175.811 0.685 25953 2066 1 6 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.228 0.243 25953 2067 1 6 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.361 -0.340 25953 2068 1 6 . 1 1 539 539 ASP H H 539 8.333 8.333 8.171 0.162 25953 2069 1 6 . 1 1 540 540 ARG N N 540 121.337 121.337 122.200 -0.863 25953 2070 1 6 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.132 0.231 25953 2071 1 6 . 1 1 540 540 ARG C C 540 176.889 176.889 177.662 -0.773 25953 2072 1 6 . 1 1 540 540 ARG CA C 540 56.406 56.406 56.468 -0.062 25953 2073 1 6 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.696 -0.331 25953 2074 1 6 . 1 1 540 540 ARG H H 540 8.293 8.293 8.338 -0.045 25953 2075 1 6 . 1 1 541 541 SER N N 541 116.606 116.606 122.374 -5.768 25953 2076 1 6 . 1 1 541 541 SER HA H 541 4.319 4.319 4.417 -0.098 25953 2077 1 6 . 1 1 541 541 SER C C 541 175.060 175.060 174.752 0.308 25953 2078 1 6 . 1 1 541 541 SER CA C 541 59.655 59.655 58.913 0.742 25953 2079 1 6 . 1 1 541 541 SER CB C 541 63.417 63.417 62.279 1.138 25953 2080 1 6 . 1 1 541 541 SER H H 541 8.369 8.369 8.785 -0.416 25953 2081 1 6 . 1 1 542 542 ASN N N 542 120.759 120.759 121.145 -0.386 25953 2082 1 6 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.491 0.209 25953 2083 1 6 . 1 1 542 542 ASN C C 542 175.903 175.903 176.146 -0.243 25953 2084 1 6 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.506 -0.718 25953 2085 1 6 . 1 1 542 542 ASN CB C 542 38.728 38.728 37.935 0.793 25953 2086 1 6 . 1 1 542 542 ASN H H 542 8.451 8.451 7.974 0.477 25953 2087 1 6 . 1 1 543 543 GLU N N 543 120.886 120.886 121.925 -1.039 25953 2088 1 6 . 1 1 543 543 GLU HA H 543 3.991 3.991 3.999 -0.008 25953 2089 1 6 . 1 1 543 543 GLU C C 543 177.658 177.658 178.515 -0.857 25953 2090 1 6 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.250 -0.461 25953 2091 1 6 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.457 0.297 25953 2092 1 6 . 1 1 543 543 GLU H H 543 8.257 8.257 8.041 0.216 25953 2093 1 6 . 1 1 544 544 LEU N N 544 119.978 119.978 117.210 2.768 25953 2094 1 6 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.164 -0.077 25953 2095 1 6 . 1 1 544 544 LEU C C 544 179.340 179.340 178.270 1.070 25953 2096 1 6 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.008 0.190 25953 2097 1 6 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.193 0.418 25953 2098 1 6 . 1 1 544 544 LEU H H 544 8.104 8.104 7.837 0.267 25953 2099 1 6 . 1 1 545 545 GLU N N 545 120.432 120.432 119.225 1.207 25953 2100 1 6 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.236 -0.176 25953 2101 1 6 . 1 1 545 545 GLU C C 545 178.371 178.371 179.706 -1.335 25953 2102 1 6 . 1 1 545 545 GLU CA C 545 58.243 58.243 58.020 0.223 25953 2103 1 6 . 1 1 545 545 GLU CB C 545 29.565 29.565 31.099 -1.534 25953 2104 1 6 . 1 1 545 545 GLU H H 545 7.995 7.995 7.615 0.380 25953 2105 1 6 . 1 1 546 546 ILE N N 546 119.751 119.751 120.702 -0.951 25953 2106 1 6 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.748 -0.124 25953 2107 1 6 . 1 1 546 546 ILE C C 546 178.857 178.857 177.973 0.884 25953 2108 1 6 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.165 -0.326 25953 2109 1 6 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.827 0.827 25953 2110 1 6 . 1 1 546 546 ILE H H 546 7.828 7.828 8.446 -0.618 25953 2111 1 6 . 1 1 547 547 ARG N N 547 120.304 120.304 118.307 1.997 25953 2112 1 6 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.364 -0.007 25953 2113 1 6 . 1 1 547 547 ARG C C 547 176.842 176.842 178.231 -1.389 25953 2114 1 6 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.716 -0.841 25953 2115 1 6 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.056 0.404 25953 2116 1 6 . 1 1 547 547 ARG H H 547 8.313 8.313 7.646 0.667 25953 2117 1 6 . 1 1 548 548 GLY N N 548 104.777 104.777 104.853 -0.076 25953 2118 1 6 . 1 1 548 548 GLY C C 548 175.105 175.105 174.843 0.262 25953 2119 1 6 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.650 0.810 25953 2120 1 6 . 1 1 548 548 GLY H H 548 7.823 7.823 7.512 0.311 25953 2121 1 6 . 1 1 549 549 LYS N N 549 122.134 122.134 121.842 0.292 25953 2122 1 6 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.257 0.120 25953 2123 1 6 . 1 1 549 549 LYS C C 549 175.156 175.156 175.425 -0.269 25953 2124 1 6 . 1 1 549 549 LYS CA C 549 57.373 57.373 57.511 -0.138 25953 2125 1 6 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.007 -0.860 25953 2126 1 6 . 1 1 549 549 LYS H H 549 7.257 7.257 7.435 -0.178 25953 2127 1 6 . 1 1 550 550 TYR N N 550 117.482 117.482 120.301 -2.819 25953 2128 1 6 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.838 -0.080 25953 2129 1 6 . 1 1 550 550 TYR C C 550 174.650 174.650 173.909 0.741 25953 2130 1 6 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.034 0.996 25953 2131 1 6 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.887 0.340 25953 2132 1 6 . 1 1 550 550 TYR H H 550 8.108 8.108 8.257 -0.149 25953 2133 1 6 . 1 1 551 551 VAL N N 551 117.964 117.964 114.599 3.365 25953 2134 1 6 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.306 0.153 25953 2135 1 6 . 1 1 551 551 VAL C C 551 174.974 174.974 174.397 0.577 25953 2136 1 6 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.196 -1.158 25953 2137 1 6 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.401 1.392 25953 2138 1 6 . 1 1 551 551 VAL H H 551 8.549 8.549 8.234 0.315 25953 2139 1 6 . 1 1 552 552 VAL N N 552 126.679 126.679 125.555 1.124 25953 2140 1 6 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.118 0.041 25953 2141 1 6 . 1 1 552 552 VAL C C 552 175.545 175.545 175.046 0.499 25953 2142 1 6 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.532 0.620 25953 2143 1 6 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.272 -0.314 25953 2144 1 6 . 1 1 552 552 VAL H H 552 8.642 8.642 8.265 0.377 25953 2145 1 6 . 1 1 553 553 VAL N N 553 129.744 129.744 129.612 0.132 25953 2146 1 6 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.123 -1.664 25953 2147 1 6 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.985 3.183 25953 2148 1 6 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.357 -1.973 25953 2149 1 6 . 1 1 553 553 VAL H H 553 8.341 8.341 8.091 0.251 25953 2150 1 6 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.485 -0.097 25953 2151 1 6 . 1 1 554 554 PRO C C 554 178.374 178.374 177.445 0.929 25953 2152 1 6 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.583 -0.007 25953 2153 1 6 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.425 0.330 25953 2154 1 6 . 1 1 555 555 GLU N N 555 122.440 122.440 122.980 -0.540 25953 2155 1 6 . 1 1 555 555 GLU HA H 555 4.054 4.054 4.152 -0.098 25953 2156 1 6 . 1 1 555 555 GLU C C 555 176.757 176.757 177.546 -0.789 25953 2157 1 6 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.475 -0.974 25953 2158 1 6 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.279 0.134 25953 2159 1 6 . 1 1 555 555 GLU H H 555 8.904 8.904 8.740 0.164 25953 2160 1 6 . 1 1 556 556 THR N N 556 104.703 104.703 113.359 -8.656 25953 2161 1 6 . 1 1 556 556 THR HA H 556 4.152 4.152 4.094 0.058 25953 2162 1 6 . 1 1 556 556 THR C C 556 175.161 175.161 176.024 -0.863 25953 2163 1 6 . 1 1 556 556 THR CA C 556 61.379 61.379 64.700 -3.321 25953 2164 1 6 . 1 1 556 556 THR CB C 556 68.976 68.976 68.460 0.516 25953 2165 1 6 . 1 1 556 556 THR H H 556 7.160 7.160 8.025 -0.865 25953 2166 1 6 . 1 1 557 557 SER N N 557 116.705 116.705 117.795 -1.090 25953 2167 1 6 . 1 1 557 557 SER HA H 557 4.529 4.529 4.435 0.094 25953 2168 1 6 . 1 1 557 557 SER C C 557 175.325 175.325 175.047 0.278 25953 2169 1 6 . 1 1 557 557 SER CA C 557 58.036 58.036 57.384 0.652 25953 2170 1 6 . 1 1 557 557 SER CB C 557 63.214 63.214 62.437 0.777 25953 2171 1 6 . 1 1 557 557 SER H H 557 7.405 7.405 7.686 -0.281 25953 2172 1 6 . 1 1 558 558 GLN N N 558 127.356 127.356 126.501 0.855 25953 2173 1 6 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.042 0.127 25953 2174 1 6 . 1 1 558 558 GLN C C 558 176.491 176.491 176.176 0.315 25953 2175 1 6 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.498 -0.904 25953 2176 1 6 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.808 -0.035 25953 2177 1 6 . 1 1 558 558 GLN H H 558 8.915 8.915 7.909 1.006 25953 2178 1 6 . 1 1 559 559 ASP N N 559 116.840 116.840 117.741 -0.901 25953 2179 1 6 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.542 -0.057 25953 2180 1 6 . 1 1 559 559 ASP C C 559 175.554 175.554 175.999 -0.445 25953 2181 1 6 . 1 1 559 559 ASP CA C 559 53.203 53.203 54.120 -0.917 25953 2182 1 6 . 1 1 559 559 ASP CB C 559 40.526 40.526 40.358 0.168 25953 2183 1 6 . 1 1 559 559 ASP H H 559 8.275 8.275 8.387 -0.112 25953 2184 1 6 . 1 1 560 560 MET N N 560 112.866 112.866 115.542 -2.676 25953 2185 1 6 . 1 1 560 560 MET HA H 560 3.899 3.899 3.724 0.175 25953 2186 1 6 . 1 1 560 560 MET C C 560 175.044 175.044 174.363 0.681 25953 2187 1 6 . 1 1 560 560 MET CA C 560 56.400 56.400 56.107 0.293 25953 2188 1 6 . 1 1 560 560 MET CB C 560 30.933 30.933 29.929 1.004 25953 2189 1 6 . 1 1 560 560 MET H H 560 7.935 7.935 7.639 0.296 25953 2190 1 6 . 1 1 561 561 ALA N N 561 122.207 122.207 119.481 2.726 25953 2191 1 6 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.770 0.141 25953 2192 1 6 . 1 1 561 561 ALA C C 561 176.577 176.577 175.463 1.114 25953 2193 1 6 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.436 -0.459 25953 2194 1 6 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.707 0.580 25953 2195 1 6 . 1 1 561 561 ALA H H 561 7.910 7.910 7.651 0.259 25953 2196 1 6 . 1 1 562 562 PHE N N 562 117.027 117.027 120.488 -3.461 25953 2197 1 6 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.657 -0.021 25953 2198 1 6 . 1 1 562 562 PHE C C 562 170.988 170.988 173.244 -2.256 25953 2199 1 6 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.828 -0.598 25953 2200 1 6 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.419 -2.373 25953 2201 1 6 . 1 1 562 562 PHE H H 562 8.075 8.075 8.314 -0.239 25953 2202 1 6 . 1 1 563 563 LYS N N 563 120.420 120.420 125.745 -5.325 25953 2203 1 6 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.735 -0.235 25953 2204 1 6 . 1 1 563 563 LYS C C 563 176.093 176.093 175.670 0.423 25953 2205 1 6 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.328 -1.526 25953 2206 1 6 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.852 0.827 25953 2207 1 6 . 1 1 563 563 LYS H H 563 8.392 8.392 7.655 0.737 25953 2208 1 6 . 1 1 564 564 N N 564 132.535 132.535 10007.600 -9875.060 25953 2209 1 6 . 1 1 564 564 HA H 564 4.639 4.639 9999.220 -9994.580 25953 2210 1 6 . 1 1 564 564 C C 564 175.820 175.820 9997.820 -9822.000 25953 2211 1 6 . 1 1 564 564 CA C 564 57.545 57.545 9995.700 -9938.160 25953 2212 1 6 . 1 1 564 564 CB C 564 30.650 30.650 9998.750 -9968.100 25953 2213 1 6 . 1 1 564 564 H H 564 8.456 8.456 9999.450 -9990.990 25953 2214 1 6 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.375 0.005 25953 2215 1 6 . 1 1 565 565 PRO C C 565 177.300 177.300 178.188 -0.888 25953 2216 1 6 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.072 -0.679 25953 2217 1 6 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.992 1.013 25953 2218 1 6 . 1 1 566 566 ILE N N 566 118.529 118.529 119.121 -0.592 25953 2219 1 6 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.964 0.167 25953 2220 1 6 . 1 1 566 566 ILE C C 566 176.361 176.361 177.752 -1.391 25953 2221 1 6 . 1 1 566 566 ILE CA C 566 63.699 63.699 65.008 -1.309 25953 2222 1 6 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.304 0.493 25953 2223 1 6 . 1 1 566 566 ILE H H 566 8.528 8.528 7.892 0.636 25953 2224 1 6 . 1 1 567 567 N N 567 116.646 116.646 9994.070 -9877.420 25953 2225 1 6 . 1 1 567 567 HA H 567 4.932 4.932 9999.260 -9994.330 25953 2226 1 6 . 1 1 567 567 C C 567 176.175 176.175 9998.830 -9822.660 25953 2227 1 6 . 1 1 567 567 CA C 567 58.801 58.801 9997.660 -9938.860 25953 2228 1 6 . 1 1 567 567 CB C 567 31.243 31.243 9998.360 -9967.120 25953 2229 1 6 . 1 1 567 567 H H 567 7.770 7.770 9998.660 -9990.890 25953 2230 1 6 . 1 1 568 568 LYS N N 568 116.867 116.867 118.478 -1.611 25953 2231 1 6 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.014 0.001 25953 2232 1 6 . 1 1 568 568 LYS C C 568 175.290 175.290 175.646 -0.356 25953 2233 1 6 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.374 0.500 25953 2234 1 6 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.548 -0.913 25953 2235 1 6 . 1 1 568 568 LYS H H 568 8.038 8.038 8.194 -0.156 25953 2236 1 6 . 1 1 569 569 GLU N N 569 120.683 120.683 118.316 2.367 25953 2237 1 6 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.716 -0.244 25953 2238 1 6 . 1 1 569 569 GLU C C 569 175.851 175.851 175.764 0.087 25953 2239 1 6 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.658 1.543 25953 2240 1 6 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.274 -0.931 25953 2241 1 6 . 1 1 569 569 GLU H H 569 8.380 8.380 7.723 0.657 25953 2242 1 6 . 1 1 570 570 THR N N 570 118.082 118.082 116.773 1.309 25953 2243 1 6 . 1 1 570 570 THR HA H 570 4.378 4.378 4.950 -0.572 25953 2244 1 6 . 1 1 570 570 THR C C 570 174.070 174.070 174.211 -0.141 25953 2245 1 6 . 1 1 570 570 THR CA C 570 63.174 63.174 61.904 1.270 25953 2246 1 6 . 1 1 570 570 THR CB C 570 69.853 69.853 69.518 0.335 25953 2247 1 6 . 1 1 570 570 THR H H 570 8.565 8.565 8.502 0.063 25953 2248 1 6 . 1 1 571 571 VAL N N 571 132.533 132.533 127.458 5.075 25953 2249 1 6 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.397 -0.526 25953 2250 1 6 . 1 1 571 571 VAL C C 571 174.198 174.198 174.769 -0.571 25953 2251 1 6 . 1 1 571 571 VAL CA C 571 62.070 62.070 61.675 0.395 25953 2252 1 6 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.860 -1.930 25953 2253 1 6 . 1 1 571 571 VAL H H 571 8.740 8.740 8.767 -0.027 25953 2254 1 6 . 1 1 572 572 THR N N 572 116.229 116.229 118.959 -2.730 25953 2255 1 6 . 1 1 572 572 THR HA H 572 5.243 5.243 5.325 -0.083 25953 2256 1 6 . 1 1 572 572 THR C C 572 175.803 175.803 174.589 1.214 25953 2257 1 6 . 1 1 572 572 THR CA C 572 60.095 60.095 60.319 -0.224 25953 2258 1 6 . 1 1 572 572 THR CB C 572 70.889 70.889 72.280 -1.391 25953 2259 1 6 . 1 1 572 572 THR H H 572 8.089 8.089 8.027 0.062 25953 2260 1 6 . 1 1 573 573 GLY N N 573 110.544 110.544 110.167 0.377 25953 2261 1 6 . 1 1 573 573 GLY C C 573 172.769 172.769 173.656 -0.887 25953 2262 1 6 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.903 1.531 25953 2263 1 6 . 1 1 573 573 GLY H H 573 8.871 8.871 8.279 0.592 25953 2264 1 6 . 1 1 574 574 VAL N N 574 120.833 120.833 119.654 1.179 25953 2265 1 6 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.546 0.281 25953 2266 1 6 . 1 1 574 574 VAL C C 574 173.472 173.472 174.232 -0.760 25953 2267 1 6 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.601 0.400 25953 2268 1 6 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.413 0.226 25953 2269 1 6 . 1 1 574 574 VAL H H 574 9.473 9.473 8.696 0.777 25953 2270 1 6 . 1 1 575 575 TYR N N 575 126.796 126.796 124.902 1.894 25953 2271 1 6 . 1 1 575 575 TYR HA H 575 3.561 3.561 5.020 -1.459 25953 2272 1 6 . 1 1 575 575 TYR C C 575 174.622 174.622 175.310 -0.688 25953 2273 1 6 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.102 0.130 25953 2274 1 6 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.871 -1.607 25953 2275 1 6 . 1 1 575 575 TYR H H 575 8.410 8.410 8.803 -0.393 25953 2276 1 6 . 1 1 576 576 ASP N N 576 130.548 130.548 127.676 2.872 25953 2277 1 6 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.724 -0.294 25953 2278 1 6 . 1 1 576 576 ASP C C 576 174.399 174.399 176.306 -1.907 25953 2279 1 6 . 1 1 576 576 ASP CA C 576 52.509 52.509 53.943 -1.434 25953 2280 1 6 . 1 1 576 576 ASP CB C 576 42.012 42.012 41.859 0.153 25953 2281 1 6 . 1 1 576 576 ASP H H 576 8.228 8.228 8.358 -0.130 25953 2282 1 6 . 1 1 577 577 GLU N N 577 125.178 125.178 125.710 -0.532 25953 2283 1 6 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.483 -0.904 25953 2284 1 6 . 1 1 577 577 GLU C C 577 178.103 178.103 177.564 0.539 25953 2285 1 6 . 1 1 577 577 GLU CA C 577 58.707 58.707 58.194 0.513 25953 2286 1 6 . 1 1 577 577 GLU CB C 577 29.510 29.510 30.234 -0.724 25953 2287 1 6 . 1 1 577 577 GLU H H 577 8.480 8.480 8.919 -0.439 25953 2288 1 6 . 1 1 578 578 GLU N N 578 117.933 117.933 119.994 -2.061 25953 2289 1 6 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.293 -0.324 25953 2290 1 6 . 1 1 578 578 GLU C C 578 177.632 177.632 177.902 -0.270 25953 2291 1 6 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.433 0.606 25953 2292 1 6 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.876 -0.490 25953 2293 1 6 . 1 1 578 578 GLU H H 578 8.126 8.126 8.286 -0.160 25953 2294 1 6 . 1 1 579 579 SER N N 579 111.483 111.483 113.152 -1.669 25953 2295 1 6 . 1 1 579 579 SER HA H 579 4.343 4.343 4.577 -0.234 25953 2296 1 6 . 1 1 579 579 SER C C 579 176.070 176.070 174.350 1.720 25953 2297 1 6 . 1 1 579 579 SER CA C 579 58.557 58.557 58.382 0.175 25953 2298 1 6 . 1 1 579 579 SER CB C 579 64.809 64.809 64.434 0.374 25953 2299 1 6 . 1 1 579 579 SER H H 579 7.510 7.510 8.530 -1.020 25953 2300 1 6 . 1 1 580 580 GLY N N 580 113.307 113.307 108.903 4.404 25953 2301 1 6 . 1 1 580 580 GLY C C 580 173.600 173.600 173.423 0.177 25953 2302 1 6 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.340 0.766 25953 2303 1 6 . 1 1 580 580 GLY H H 580 8.196 8.196 8.041 0.155 25953 2304 1 6 . 1 1 581 581 GLU N N 581 116.623 116.623 118.385 -1.762 25953 2305 1 6 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.217 0.488 25953 2306 1 6 . 1 1 581 581 GLU C C 581 174.750 174.750 174.739 0.011 25953 2307 1 6 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.973 -0.104 25953 2308 1 6 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.218 0.392 25953 2309 1 6 . 1 1 581 581 GLU H H 581 6.994 6.994 7.744 -0.750 25953 2310 1 6 . 1 1 582 582 TRP N N 582 122.364 122.364 117.955 4.409 25953 2311 1 6 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.008 -0.207 25953 2312 1 6 . 1 1 582 582 TRP C C 582 176.750 176.750 176.262 0.488 25953 2313 1 6 . 1 1 582 582 TRP CA C 582 57.033 57.033 55.339 1.694 25953 2314 1 6 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.854 -1.997 25953 2315 1 6 . 1 1 582 582 TRP H H 582 8.841 8.841 8.353 0.488 25953 2316 1 6 . 1 1 583 583 VAL N N 583 115.147 115.147 119.535 -4.388 25953 2317 1 6 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.690 0.426 25953 2318 1 6 . 1 1 583 583 VAL C C 583 175.063 175.063 173.881 1.182 25953 2319 1 6 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.972 -1.574 25953 2320 1 6 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.840 -0.071 25953 2321 1 6 . 1 1 583 583 VAL H H 583 9.440 9.440 9.299 0.141 25953 2322 1 6 . 1 1 584 584 TRP N N 584 123.710 123.710 126.938 -3.228 25953 2323 1 6 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.146 0.104 25953 2324 1 6 . 1 1 584 584 TRP C C 584 176.436 176.436 174.838 1.598 25953 2325 1 6 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.831 -0.430 25953 2326 1 6 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.125 -1.682 25953 2327 1 6 . 1 1 584 584 TRP H H 584 9.295 9.295 9.011 0.284 25953 2328 1 6 . 1 1 585 585 LYS N N 585 122.031 122.031 123.642 -1.611 25953 2329 1 6 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.638 -0.075 25953 2330 1 6 . 1 1 585 585 LYS C C 585 178.886 178.886 176.916 1.970 25953 2331 1 6 . 1 1 585 585 LYS CA C 585 56.313 56.313 55.178 1.135 25953 2332 1 6 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.428 -0.995 25953 2333 1 6 . 1 1 585 585 LYS H H 585 8.689 8.689 8.564 0.125 25953 2334 1 6 . 1 1 586 586 ASN N N 586 123.634 123.634 120.183 3.451 25953 2335 1 6 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.494 0.409 25953 2336 1 6 . 1 1 586 586 ASN C C 586 176.043 176.043 173.938 2.105 25953 2337 1 6 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.324 0.378 25953 2338 1 6 . 1 1 586 586 ASN CB C 586 37.052 37.052 38.015 -0.963 25953 2339 1 6 . 1 1 586 586 ASN H H 586 8.830 8.830 8.857 -0.027 25953 2340 1 6 . 1 1 587 587 THR N N 587 114.536 114.536 114.941 -0.405 25953 2341 1 6 . 1 1 587 587 THR HA H 587 5.482 5.482 5.069 0.413 25953 2342 1 6 . 1 1 587 587 THR C C 587 171.882 171.882 173.311 -1.429 25953 2343 1 6 . 1 1 587 587 THR CA C 587 63.252 63.252 62.037 1.215 25953 2344 1 6 . 1 1 587 587 THR CB C 587 73.106 73.106 72.301 0.805 25953 2345 1 6 . 1 1 587 587 THR H H 587 8.179 8.179 7.952 0.227 25953 2346 1 6 . 1 1 588 588 ILE N N 588 120.751 120.751 122.646 -1.895 25953 2347 1 6 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.463 -0.032 25953 2348 1 6 . 1 1 588 588 ILE C C 588 171.550 171.550 172.943 -1.393 25953 2349 1 6 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.355 -0.395 25953 2350 1 6 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.743 1.609 25953 2351 1 6 . 1 1 588 588 ILE H H 588 8.984 8.984 8.856 0.128 25953 2352 1 6 . 1 1 589 589 GLU N N 589 125.535 125.535 129.103 -3.568 25953 2353 1 6 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.749 0.062 25953 2354 1 6 . 1 1 589 589 GLU C C 589 175.587 175.587 174.489 1.098 25953 2355 1 6 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.312 -0.151 25953 2356 1 6 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.535 0.088 25953 2357 1 6 . 1 1 589 589 GLU H H 589 8.337 8.337 8.278 0.059 25953 2358 1 6 . 1 1 590 590 VAL N N 590 126.684 126.684 125.228 1.456 25953 2359 1 6 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.290 -0.303 25953 2360 1 6 . 1 1 590 590 VAL C C 590 176.078 176.078 175.945 0.133 25953 2361 1 6 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.234 1.340 25953 2362 1 6 . 1 1 590 590 VAL CB C 590 33.828 33.828 33.941 -0.113 25953 2363 1 6 . 1 1 590 590 VAL H H 590 9.013 9.013 8.948 0.065 25953 2364 1 6 . 1 1 591 591 ASN N N 591 127.075 127.075 126.101 0.974 25953 2365 1 6 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.400 -0.097 25953 2366 1 6 . 1 1 591 591 ASN C C 591 175.223 175.223 175.444 -0.221 25953 2367 1 6 . 1 1 591 591 ASN CA C 591 54.048 54.048 53.699 0.349 25953 2368 1 6 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.607 -0.838 25953 2369 1 6 . 1 1 591 591 ASN H H 591 9.347 9.347 9.201 0.146 25953 2370 1 6 . 1 1 592 592 GLY N N 592 104.628 104.628 103.993 0.635 25953 2371 1 6 . 1 1 592 592 GLY C C 592 172.842 172.842 173.319 -0.477 25953 2372 1 6 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.179 0.102 25953 2373 1 6 . 1 1 592 592 GLY H H 592 8.990 8.990 8.283 0.707 25953 2374 1 6 . 1 1 593 593 LYS N N 593 120.387 120.387 119.799 0.588 25953 2375 1 6 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.604 -0.416 25953 2376 1 6 . 1 1 593 593 LYS C C 593 173.344 173.344 174.976 -1.632 25953 2377 1 6 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.522 -0.383 25953 2378 1 6 . 1 1 593 593 LYS CB C 593 34.946 34.946 35.483 -0.537 25953 2379 1 6 . 1 1 593 593 LYS H H 593 7.485 7.485 7.954 -0.469 25953 2380 1 6 . 1 1 594 594 TYR N N 594 119.730 119.730 119.999 -0.269 25953 2381 1 6 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.736 0.095 25953 2382 1 6 . 1 1 594 594 TYR C C 594 173.851 173.851 175.604 -1.753 25953 2383 1 6 . 1 1 594 594 TYR CA C 594 56.928 56.928 58.063 -1.135 25953 2384 1 6 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.098 -2.524 25953 2385 1 6 . 1 1 594 594 TYR H H 594 7.092 7.092 8.229 -1.137 25953 2386 1 6 . 1 1 595 595 PHE N N 595 116.435 116.435 117.048 -0.613 25953 2387 1 6 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.722 0.316 25953 2388 1 6 . 1 1 595 595 PHE C C 595 177.013 177.013 173.987 3.026 25953 2389 1 6 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.275 -1.747 25953 2390 1 6 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.128 1.270 25953 2391 1 6 . 1 1 595 595 PHE H H 595 8.459 8.459 8.646 -0.187 25953 2392 1 6 . 1 1 596 596 N N 596 118.187 118.187 10000.900 -9882.710 25953 2393 1 6 . 1 1 596 596 HA H 596 6.064 6.064 9999.580 -9993.520 25953 2394 1 6 . 1 1 596 596 CA C 596 58.668 58.668 9998.340 -9939.670 25953 2395 1 6 . 1 1 596 596 CB C 596 32.486 32.486 10000.900 -9968.410 25953 2396 1 6 . 1 1 596 596 H H 596 9.113 9.113 9999.900 -9990.790 25953 2397 1 6 . 1 1 597 597 SER N N 597 118.403 118.403 121.590 -3.187 25953 2398 1 6 . 1 1 597 597 SER HA H 597 4.798 4.798 4.211 0.587 25953 2399 1 6 . 1 1 597 597 SER C C 597 179.336 179.336 176.622 2.714 25953 2400 1 6 . 1 1 597 597 SER CA C 597 60.633 60.633 62.188 -1.555 25953 2401 1 6 . 1 1 597 597 SER CB C 597 62.965 62.965 63.364 -0.398 25953 2402 1 6 . 1 1 597 597 SER H H 597 8.110 8.110 8.823 -0.713 25953 2403 1 6 . 1 1 598 598 THR N N 598 111.927 111.927 115.694 -3.767 25953 2404 1 6 . 1 1 598 598 THR HA H 598 3.991 3.991 4.142 -0.151 25953 2405 1 6 . 1 1 598 598 THR C C 598 178.244 178.244 176.156 2.088 25953 2406 1 6 . 1 1 598 598 THR CA C 598 64.766 64.766 65.500 -0.734 25953 2407 1 6 . 1 1 598 598 THR CB C 598 67.467 67.467 68.135 -0.668 25953 2408 1 6 . 1 1 598 598 THR H H 598 9.120 9.120 8.543 0.577 25953 2409 1 6 . 1 1 599 599 N N 599 117.596 117.596 10000.700 -9883.100 25953 2410 1 6 . 1 1 599 599 HA H 599 4.055 4.055 9998.930 -9994.880 25953 2411 1 6 . 1 1 599 599 C C 599 177.266 177.266 10000.700 -9823.430 25953 2412 1 6 . 1 1 599 599 CA C 599 63.602 63.602 10002.900 -9939.300 25953 2413 1 6 . 1 1 599 599 CB C 599 30.014 30.014 9997.260 -9967.250 25953 2414 1 6 . 1 1 599 599 H H 599 6.935 6.935 9998.830 -9991.900 25953 2415 1 6 . 1 1 600 600 TYR N N 600 119.532 119.532 120.389 -0.857 25953 2416 1 6 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.242 -0.645 25953 2417 1 6 . 1 1 600 600 TYR C C 600 177.533 177.533 177.093 0.440 25953 2418 1 6 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.091 1.043 25953 2419 1 6 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.224 1.198 25953 2420 1 6 . 1 1 600 600 TYR H H 600 8.396 8.396 8.659 -0.263 25953 2421 1 6 . 1 1 601 601 N N 601 117.457 117.457 9998.240 -9880.780 25953 2422 1 6 . 1 1 601 601 HA H 601 4.126 4.126 9998.610 -9994.480 25953 2423 1 6 . 1 1 601 601 CA C 601 60.119 60.119 10002.600 -9942.480 25953 2424 1 6 . 1 1 601 601 CB C 601 29.903 29.903 9999.240 -9969.340 25953 2425 1 6 . 1 1 601 601 H H 601 8.417 8.417 9999.020 -9990.600 25953 2426 1 6 . 1 1 602 602 GLU N N 602 118.228 118.228 117.369 0.859 25953 2427 1 6 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.079 0.002 25953 2428 1 6 . 1 1 602 602 GLU C C 602 177.912 177.912 177.934 -0.022 25953 2429 1 6 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.485 -0.325 25953 2430 1 6 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.297 -0.564 25953 2431 1 6 . 1 1 602 602 GLU H H 602 8.094 8.094 7.789 0.305 25953 2432 1 6 . 1 1 603 603 THR N N 603 111.252 111.252 118.516 -7.264 25953 2433 1 6 . 1 1 603 603 THR HA H 603 4.265 4.265 4.424 -0.159 25953 2434 1 6 . 1 1 603 603 THR C C 603 175.279 175.279 173.635 1.644 25953 2435 1 6 . 1 1 603 603 THR CA C 603 63.116 63.116 61.682 1.434 25953 2436 1 6 . 1 1 603 603 THR CB C 603 69.801 69.801 67.259 2.542 25953 2437 1 6 . 1 1 603 603 THR H H 603 7.578 7.578 8.100 -0.522 25953 2438 1 6 . 1 1 604 604 SER N N 604 117.291 117.291 116.965 0.326 25953 2439 1 6 . 1 1 604 604 SER HA H 604 4.221 4.221 3.953 0.268 25953 2440 1 6 . 1 1 604 604 SER C C 604 174.838 174.838 174.007 0.831 25953 2441 1 6 . 1 1 604 604 SER CA C 604 59.105 59.105 57.849 1.256 25953 2442 1 6 . 1 1 604 604 SER CB C 604 63.387 63.387 64.120 -0.732 25953 2443 1 6 . 1 1 604 604 SER H H 604 7.849 7.849 7.442 0.407 25953 2444 1 6 . 1 1 605 605 GLN N N 605 120.747 120.747 120.610 0.137 25953 2445 1 6 . 1 1 605 605 GLN C C 605 175.801 175.801 174.983 0.818 25953 2446 1 6 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.030 1.050 25953 2447 1 6 . 1 1 605 605 GLN CB C 605 28.926 28.926 31.587 -2.660 25953 2448 1 6 . 1 1 605 605 GLN H H 605 7.971 7.971 8.161 -0.190 25953 2449 1 7 . 1 1 535 535 SER HA H 535 4.465 4.465 4.495 -0.030 25953 2450 1 7 . 1 1 535 535 SER C C 535 174.718 174.718 175.192 -0.474 25953 2451 1 7 . 1 1 535 535 SER CA C 535 58.323 58.323 57.655 0.668 25953 2452 1 7 . 1 1 535 535 SER CB C 535 63.845 63.845 64.526 -0.681 25953 2453 1 7 . 1 1 536 536 GLU N N 536 122.899 122.899 123.602 -0.703 25953 2454 1 7 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.006 0.195 25953 2455 1 7 . 1 1 536 536 GLU C C 536 176.241 176.241 178.328 -2.087 25953 2456 1 7 . 1 1 536 536 GLU CA C 536 57.077 57.077 58.082 -1.005 25953 2457 1 7 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.380 0.452 25953 2458 1 7 . 1 1 536 536 GLU H H 536 8.638 8.638 8.890 -0.252 25953 2459 1 7 . 1 1 537 537 PHE N N 537 120.390 120.390 118.564 1.826 25953 2460 1 7 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.531 0.110 25953 2461 1 7 . 1 1 537 537 PHE C C 537 176.005 176.005 175.088 0.917 25953 2462 1 7 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.578 0.226 25953 2463 1 7 . 1 1 537 537 PHE CB C 537 39.450 39.450 37.889 1.561 25953 2464 1 7 . 1 1 537 537 PHE H H 537 8.266 8.266 7.997 0.269 25953 2465 1 7 . 1 1 538 538 SER N N 538 117.148 117.148 116.273 0.875 25953 2466 1 7 . 1 1 538 538 SER HA H 538 4.399 4.399 4.548 -0.149 25953 2467 1 7 . 1 1 538 538 SER C C 538 174.167 174.167 174.627 -0.460 25953 2468 1 7 . 1 1 538 538 SER CA C 538 58.437 58.437 58.291 0.145 25953 2469 1 7 . 1 1 538 538 SER CB C 538 63.956 63.956 64.385 -0.429 25953 2470 1 7 . 1 1 538 538 SER H H 538 8.194 8.194 7.592 0.602 25953 2471 1 7 . 1 1 539 539 ASP N N 539 122.404 122.404 120.724 1.680 25953 2472 1 7 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.652 -0.066 25953 2473 1 7 . 1 1 539 539 ASP C C 539 176.496 176.496 175.378 1.118 25953 2474 1 7 . 1 1 539 539 ASP CA C 539 54.471 54.471 53.628 0.843 25953 2475 1 7 . 1 1 539 539 ASP CB C 539 41.021 41.021 40.805 0.216 25953 2476 1 7 . 1 1 539 539 ASP H H 539 8.333 8.333 8.573 -0.240 25953 2477 1 7 . 1 1 540 540 ARG N N 540 121.337 121.337 120.488 0.849 25953 2478 1 7 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.489 -0.126 25953 2479 1 7 . 1 1 540 540 ARG C C 540 176.889 176.889 176.326 0.563 25953 2480 1 7 . 1 1 540 540 ARG CA C 540 56.406 56.406 56.102 0.304 25953 2481 1 7 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.990 -0.625 25953 2482 1 7 . 1 1 540 540 ARG H H 540 8.293 8.293 7.880 0.413 25953 2483 1 7 . 1 1 541 541 SER N N 541 116.606 116.606 117.491 -0.885 25953 2484 1 7 . 1 1 541 541 SER HA H 541 4.319 4.319 4.561 -0.242 25953 2485 1 7 . 1 1 541 541 SER C C 541 175.060 175.060 174.327 0.733 25953 2486 1 7 . 1 1 541 541 SER CA C 541 59.655 59.655 57.904 1.751 25953 2487 1 7 . 1 1 541 541 SER CB C 541 63.417 63.417 64.215 -0.798 25953 2488 1 7 . 1 1 541 541 SER H H 541 8.369 8.369 8.550 -0.180 25953 2489 1 7 . 1 1 542 542 ASN N N 542 120.759 120.759 118.674 2.085 25953 2490 1 7 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.777 -0.077 25953 2491 1 7 . 1 1 542 542 ASN C C 542 175.903 175.903 173.615 2.288 25953 2492 1 7 . 1 1 542 542 ASN CA C 542 53.788 53.788 52.671 1.117 25953 2493 1 7 . 1 1 542 542 ASN CB C 542 38.728 38.728 41.014 -2.286 25953 2494 1 7 . 1 1 542 542 ASN H H 542 8.451 8.451 8.815 -0.364 25953 2495 1 7 . 1 1 543 543 GLU N N 543 120.886 120.886 121.188 -0.302 25953 2496 1 7 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.399 -0.408 25953 2497 1 7 . 1 1 543 543 GLU C C 543 177.658 177.658 176.367 1.291 25953 2498 1 7 . 1 1 543 543 GLU CA C 543 58.789 58.789 56.321 2.468 25953 2499 1 7 . 1 1 543 543 GLU CB C 543 29.754 29.754 30.666 -0.912 25953 2500 1 7 . 1 1 543 543 GLU H H 543 8.257 8.257 8.726 -0.469 25953 2501 1 7 . 1 1 544 544 LEU N N 544 119.978 119.978 120.034 -0.056 25953 2502 1 7 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.402 -0.315 25953 2503 1 7 . 1 1 544 544 LEU C C 544 179.340 179.340 178.727 0.613 25953 2504 1 7 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.315 0.883 25953 2505 1 7 . 1 1 544 544 LEU CB C 544 41.611 41.611 42.274 -0.663 25953 2506 1 7 . 1 1 544 544 LEU H H 544 8.104 8.104 8.264 -0.160 25953 2507 1 7 . 1 1 545 545 GLU N N 545 120.432 120.432 121.111 -0.679 25953 2508 1 7 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.023 0.037 25953 2509 1 7 . 1 1 545 545 GLU C C 545 178.371 178.371 179.491 -1.120 25953 2510 1 7 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.294 -1.050 25953 2511 1 7 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.444 0.121 25953 2512 1 7 . 1 1 545 545 GLU H H 545 7.995 7.995 8.670 -0.675 25953 2513 1 7 . 1 1 546 546 ILE N N 546 119.751 119.751 119.272 0.479 25953 2514 1 7 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.786 -0.162 25953 2515 1 7 . 1 1 546 546 ILE C C 546 178.857 178.857 178.196 0.661 25953 2516 1 7 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.150 -0.311 25953 2517 1 7 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.362 0.292 25953 2518 1 7 . 1 1 546 546 ILE H H 546 7.828 7.828 8.132 -0.304 25953 2519 1 7 . 1 1 547 547 ARG N N 547 120.304 120.304 118.575 1.729 25953 2520 1 7 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.239 0.118 25953 2521 1 7 . 1 1 547 547 ARG C C 547 176.842 176.842 177.657 -0.815 25953 2522 1 7 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.390 -0.515 25953 2523 1 7 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.057 0.403 25953 2524 1 7 . 1 1 547 547 ARG H H 547 8.313 8.313 7.743 0.570 25953 2525 1 7 . 1 1 548 548 GLY N N 548 104.777 104.777 105.623 -0.846 25953 2526 1 7 . 1 1 548 548 GLY C C 548 175.105 175.105 174.786 0.319 25953 2527 1 7 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.821 0.639 25953 2528 1 7 . 1 1 548 548 GLY H H 548 7.823 7.823 7.761 0.062 25953 2529 1 7 . 1 1 549 549 LYS N N 549 122.134 122.134 122.370 -0.236 25953 2530 1 7 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.308 0.069 25953 2531 1 7 . 1 1 549 549 LYS C C 549 175.156 175.156 175.250 -0.094 25953 2532 1 7 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.560 0.813 25953 2533 1 7 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.103 -0.956 25953 2534 1 7 . 1 1 549 549 LYS H H 549 7.257 7.257 7.583 -0.326 25953 2535 1 7 . 1 1 550 550 TYR N N 550 117.482 117.482 118.077 -0.595 25953 2536 1 7 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.792 -0.034 25953 2537 1 7 . 1 1 550 550 TYR C C 550 174.650 174.650 173.984 0.666 25953 2538 1 7 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.275 0.755 25953 2539 1 7 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.846 0.381 25953 2540 1 7 . 1 1 550 550 TYR H H 550 8.108 8.108 8.260 -0.152 25953 2541 1 7 . 1 1 551 551 VAL N N 551 117.964 117.964 114.932 3.032 25953 2542 1 7 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.335 0.124 25953 2543 1 7 . 1 1 551 551 VAL C C 551 174.974 174.974 174.395 0.579 25953 2544 1 7 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.292 -1.254 25953 2545 1 7 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.427 1.366 25953 2546 1 7 . 1 1 551 551 VAL H H 551 8.549 8.549 8.356 0.193 25953 2547 1 7 . 1 1 552 552 VAL N N 552 126.679 126.679 125.833 0.846 25953 2548 1 7 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.156 0.003 25953 2549 1 7 . 1 1 552 552 VAL C C 552 175.545 175.545 174.958 0.587 25953 2550 1 7 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.537 0.615 25953 2551 1 7 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.346 -0.388 25953 2552 1 7 . 1 1 552 552 VAL H H 552 8.642 8.642 8.289 0.353 25953 2553 1 7 . 1 1 553 553 VAL N N 553 129.744 129.744 129.392 0.352 25953 2554 1 7 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.239 -1.780 25953 2555 1 7 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.902 3.266 25953 2556 1 7 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.647 -2.263 25953 2557 1 7 . 1 1 553 553 VAL H H 553 8.341 8.341 8.286 0.055 25953 2558 1 7 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.644 -0.256 25953 2559 1 7 . 1 1 554 554 PRO C C 554 178.374 178.374 177.485 0.889 25953 2560 1 7 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.269 0.307 25953 2561 1 7 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.628 0.127 25953 2562 1 7 . 1 1 555 555 GLU N N 555 122.440 122.440 123.079 -0.639 25953 2563 1 7 . 1 1 555 555 GLU HA H 555 4.054 4.054 4.102 -0.048 25953 2564 1 7 . 1 1 555 555 GLU C C 555 176.757 176.757 177.985 -1.228 25953 2565 1 7 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.962 -1.461 25953 2566 1 7 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.685 0.728 25953 2567 1 7 . 1 1 555 555 GLU H H 555 8.904 8.904 8.972 -0.068 25953 2568 1 7 . 1 1 556 556 THR N N 556 104.703 104.703 111.341 -6.638 25953 2569 1 7 . 1 1 556 556 THR HA H 556 4.152 4.152 4.209 -0.057 25953 2570 1 7 . 1 1 556 556 THR C C 556 175.161 175.161 176.007 -0.846 25953 2571 1 7 . 1 1 556 556 THR CA C 556 61.379 61.379 63.809 -2.430 25953 2572 1 7 . 1 1 556 556 THR CB C 556 68.976 68.976 68.552 0.424 25953 2573 1 7 . 1 1 556 556 THR H H 556 7.160 7.160 8.128 -0.968 25953 2574 1 7 . 1 1 557 557 SER N N 557 116.705 116.705 117.525 -0.820 25953 2575 1 7 . 1 1 557 557 SER HA H 557 4.529 4.529 4.230 0.299 25953 2576 1 7 . 1 1 557 557 SER C C 557 175.325 175.325 175.749 -0.424 25953 2577 1 7 . 1 1 557 557 SER CA C 557 58.036 58.036 59.989 -1.953 25953 2578 1 7 . 1 1 557 557 SER CB C 557 63.214 63.214 63.864 -0.650 25953 2579 1 7 . 1 1 557 557 SER H H 557 7.405 7.405 7.644 -0.239 25953 2580 1 7 . 1 1 558 558 GLN N N 558 127.356 127.356 120.024 7.332 25953 2581 1 7 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.941 0.228 25953 2582 1 7 . 1 1 558 558 GLN C C 558 176.491 176.491 175.565 0.926 25953 2583 1 7 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.570 -0.976 25953 2584 1 7 . 1 1 558 558 GLN CB C 558 28.773 28.773 26.867 1.905 25953 2585 1 7 . 1 1 558 558 GLN H H 558 8.915 8.915 8.110 0.805 25953 2586 1 7 . 1 1 559 559 ASP N N 559 116.840 116.840 119.215 -2.375 25953 2587 1 7 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.836 -0.351 25953 2588 1 7 . 1 1 559 559 ASP C C 559 175.554 175.554 175.758 -0.204 25953 2589 1 7 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.524 -0.321 25953 2590 1 7 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.942 -1.416 25953 2591 1 7 . 1 1 559 559 ASP H H 559 8.275 8.275 8.154 0.121 25953 2592 1 7 . 1 1 560 560 MET N N 560 112.866 112.866 115.850 -2.984 25953 2593 1 7 . 1 1 560 560 MET HA H 560 3.899 3.899 3.679 0.220 25953 2594 1 7 . 1 1 560 560 MET C C 560 175.044 175.044 174.130 0.914 25953 2595 1 7 . 1 1 560 560 MET CA C 560 56.400 56.400 55.970 0.430 25953 2596 1 7 . 1 1 560 560 MET CB C 560 30.933 30.933 29.977 0.956 25953 2597 1 7 . 1 1 560 560 MET H H 560 7.935 7.935 7.574 0.361 25953 2598 1 7 . 1 1 561 561 ALA N N 561 122.207 122.207 119.590 2.617 25953 2599 1 7 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.729 0.182 25953 2600 1 7 . 1 1 561 561 ALA C C 561 176.577 176.577 175.631 0.946 25953 2601 1 7 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.558 -0.581 25953 2602 1 7 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.509 0.778 25953 2603 1 7 . 1 1 561 561 ALA H H 561 7.910 7.910 7.813 0.097 25953 2604 1 7 . 1 1 562 562 PHE N N 562 117.027 117.027 121.334 -4.307 25953 2605 1 7 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.744 -0.108 25953 2606 1 7 . 1 1 562 562 PHE C C 562 170.988 170.988 173.192 -2.204 25953 2607 1 7 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.633 -0.403 25953 2608 1 7 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.230 -2.184 25953 2609 1 7 . 1 1 562 562 PHE H H 562 8.075 8.075 8.343 -0.268 25953 2610 1 7 . 1 1 563 563 LYS N N 563 120.420 120.420 126.140 -5.720 25953 2611 1 7 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.649 -0.149 25953 2612 1 7 . 1 1 563 563 LYS C C 563 176.093 176.093 175.878 0.215 25953 2613 1 7 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.156 -1.353 25953 2614 1 7 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.213 1.466 25953 2615 1 7 . 1 1 563 563 LYS H H 563 8.392 8.392 7.357 1.035 25953 2616 1 7 . 1 1 564 564 N N 564 132.535 132.535 10008.100 -9875.560 25953 2617 1 7 . 1 1 564 564 HA H 564 4.639 4.639 9999.040 -9994.400 25953 2618 1 7 . 1 1 564 564 C C 564 175.820 175.820 9997.980 -9822.160 25953 2619 1 7 . 1 1 564 564 CA C 564 57.545 57.545 9996.350 -9938.800 25953 2620 1 7 . 1 1 564 564 CB C 564 30.650 30.650 9998.220 -9967.570 25953 2621 1 7 . 1 1 564 564 H H 564 8.456 8.456 9999.340 -9990.880 25953 2622 1 7 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.405 -0.025 25953 2623 1 7 . 1 1 565 565 PRO C C 565 177.300 177.300 177.958 -0.658 25953 2624 1 7 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.893 -0.500 25953 2625 1 7 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.883 1.122 25953 2626 1 7 . 1 1 566 566 ILE N N 566 118.529 118.529 117.945 0.584 25953 2627 1 7 . 1 1 566 566 ILE HA H 566 4.131 4.131 4.011 0.120 25953 2628 1 7 . 1 1 566 566 ILE C C 566 176.361 176.361 176.926 -0.565 25953 2629 1 7 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.997 -0.298 25953 2630 1 7 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.552 0.245 25953 2631 1 7 . 1 1 566 566 ILE H H 566 8.528 8.528 7.623 0.905 25953 2632 1 7 . 1 1 567 567 N N 567 116.646 116.646 9994.730 -9878.080 25953 2633 1 7 . 1 1 567 567 HA H 567 4.932 4.932 9999.310 -9994.380 25953 2634 1 7 . 1 1 567 567 C C 567 176.175 176.175 9999.080 -9822.910 25953 2635 1 7 . 1 1 567 567 CA C 567 58.801 58.801 9997.680 -9938.880 25953 2636 1 7 . 1 1 567 567 CB C 567 31.243 31.243 9999.820 -9968.580 25953 2637 1 7 . 1 1 567 567 H H 567 7.770 7.770 9998.610 -9990.840 25953 2638 1 7 . 1 1 568 568 LYS N N 568 116.867 116.867 118.125 -1.258 25953 2639 1 7 . 1 1 568 568 LYS HA H 568 4.015 4.015 3.968 0.047 25953 2640 1 7 . 1 1 568 568 LYS C C 568 175.290 175.290 175.717 -0.427 25953 2641 1 7 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.416 0.458 25953 2642 1 7 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.194 -0.559 25953 2643 1 7 . 1 1 568 568 LYS H H 568 8.038 8.038 8.134 -0.096 25953 2644 1 7 . 1 1 569 569 GLU N N 569 120.683 120.683 118.726 1.957 25953 2645 1 7 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.559 -0.087 25953 2646 1 7 . 1 1 569 569 GLU C C 569 175.851 175.851 175.716 0.135 25953 2647 1 7 . 1 1 569 569 GLU CA C 569 56.201 56.201 55.181 1.020 25953 2648 1 7 . 1 1 569 569 GLU CB C 569 31.343 31.343 31.957 -0.614 25953 2649 1 7 . 1 1 569 569 GLU H H 569 8.380 8.380 7.804 0.576 25953 2650 1 7 . 1 1 570 570 THR N N 570 118.082 118.082 116.175 1.907 25953 2651 1 7 . 1 1 570 570 THR HA H 570 4.378 4.378 4.920 -0.542 25953 2652 1 7 . 1 1 570 570 THR C C 570 174.070 174.070 173.920 0.150 25953 2653 1 7 . 1 1 570 570 THR CA C 570 63.174 63.174 61.395 1.779 25953 2654 1 7 . 1 1 570 570 THR CB C 570 69.853 69.853 69.932 -0.079 25953 2655 1 7 . 1 1 570 570 THR H H 570 8.565 8.565 8.375 0.190 25953 2656 1 7 . 1 1 571 571 VAL N N 571 132.533 132.533 127.777 4.756 25953 2657 1 7 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.377 -0.506 25953 2658 1 7 . 1 1 571 571 VAL C C 571 174.198 174.198 174.662 -0.464 25953 2659 1 7 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.915 1.155 25953 2660 1 7 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.678 -1.748 25953 2661 1 7 . 1 1 571 571 VAL H H 571 8.740 8.740 8.899 -0.159 25953 2662 1 7 . 1 1 572 572 THR N N 572 116.229 116.229 119.754 -3.525 25953 2663 1 7 . 1 1 572 572 THR HA H 572 5.243 5.243 5.159 0.084 25953 2664 1 7 . 1 1 572 572 THR C C 572 175.803 175.803 174.240 1.563 25953 2665 1 7 . 1 1 572 572 THR CA C 572 60.095 60.095 60.236 -0.141 25953 2666 1 7 . 1 1 572 572 THR CB C 572 70.889 70.889 71.909 -1.020 25953 2667 1 7 . 1 1 572 572 THR H H 572 8.089 8.089 8.111 -0.022 25953 2668 1 7 . 1 1 573 573 GLY N N 573 110.544 110.544 111.975 -1.431 25953 2669 1 7 . 1 1 573 573 GLY C C 573 172.769 172.769 174.606 -1.837 25953 2670 1 7 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.911 1.523 25953 2671 1 7 . 1 1 573 573 GLY H H 573 8.871 8.871 8.427 0.445 25953 2672 1 7 . 1 1 574 574 VAL N N 574 120.833 120.833 117.978 2.855 25953 2673 1 7 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.582 0.245 25953 2674 1 7 . 1 1 574 574 VAL C C 574 173.472 173.472 174.152 -0.680 25953 2675 1 7 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.520 0.481 25953 2676 1 7 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.069 0.570 25953 2677 1 7 . 1 1 574 574 VAL H H 574 9.473 9.473 8.777 0.696 25953 2678 1 7 . 1 1 575 575 TYR N N 575 126.796 126.796 125.139 1.657 25953 2679 1 7 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.959 -1.398 25953 2680 1 7 . 1 1 575 575 TYR C C 575 174.622 174.622 175.272 -0.650 25953 2681 1 7 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.435 -0.203 25953 2682 1 7 . 1 1 575 575 TYR CB C 575 37.264 37.264 39.028 -1.764 25953 2683 1 7 . 1 1 575 575 TYR H H 575 8.410 8.410 8.816 -0.406 25953 2684 1 7 . 1 1 576 576 ASP N N 576 130.548 130.548 127.270 3.278 25953 2685 1 7 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.590 -0.160 25953 2686 1 7 . 1 1 576 576 ASP C C 576 174.399 174.399 175.762 -1.363 25953 2687 1 7 . 1 1 576 576 ASP CA C 576 52.509 52.509 53.478 -0.969 25953 2688 1 7 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.114 -0.102 25953 2689 1 7 . 1 1 576 576 ASP H H 576 8.228 8.228 8.368 -0.140 25953 2690 1 7 . 1 1 577 577 GLU N N 577 125.178 125.178 124.954 0.224 25953 2691 1 7 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.130 -0.551 25953 2692 1 7 . 1 1 577 577 GLU C C 577 178.103 178.103 177.076 1.027 25953 2693 1 7 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.914 0.793 25953 2694 1 7 . 1 1 577 577 GLU CB C 577 29.510 29.510 30.172 -0.662 25953 2695 1 7 . 1 1 577 577 GLU H H 577 8.480 8.480 8.697 -0.217 25953 2696 1 7 . 1 1 578 578 GLU N N 578 117.933 117.933 119.425 -1.492 25953 2697 1 7 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.246 -0.277 25953 2698 1 7 . 1 1 578 578 GLU C C 578 177.632 177.632 177.856 -0.224 25953 2699 1 7 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.138 0.901 25953 2700 1 7 . 1 1 578 578 GLU CB C 578 29.386 29.386 30.047 -0.661 25953 2701 1 7 . 1 1 578 578 GLU H H 578 8.126 8.126 8.211 -0.085 25953 2702 1 7 . 1 1 579 579 SER N N 579 111.483 111.483 112.884 -1.401 25953 2703 1 7 . 1 1 579 579 SER HA H 579 4.343 4.343 4.514 -0.171 25953 2704 1 7 . 1 1 579 579 SER C C 579 176.070 176.070 174.367 1.703 25953 2705 1 7 . 1 1 579 579 SER CA C 579 58.557 58.557 58.425 0.132 25953 2706 1 7 . 1 1 579 579 SER CB C 579 64.809 64.809 64.271 0.538 25953 2707 1 7 . 1 1 579 579 SER H H 579 7.510 7.510 8.285 -0.775 25953 2708 1 7 . 1 1 580 580 GLY N N 580 113.307 113.307 108.795 4.512 25953 2709 1 7 . 1 1 580 580 GLY C C 580 173.600 173.600 173.717 -0.117 25953 2710 1 7 . 1 1 580 580 GLY CA C 580 46.106 46.106 44.801 1.305 25953 2711 1 7 . 1 1 580 580 GLY H H 580 8.196 8.196 7.598 0.598 25953 2712 1 7 . 1 1 581 581 GLU N N 581 116.623 116.623 118.198 -1.575 25953 2713 1 7 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.586 0.119 25953 2714 1 7 . 1 1 581 581 GLU C C 581 174.750 174.750 174.794 -0.044 25953 2715 1 7 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.590 0.279 25953 2716 1 7 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.384 0.226 25953 2717 1 7 . 1 1 581 581 GLU H H 581 6.994 6.994 7.716 -0.722 25953 2718 1 7 . 1 1 582 582 TRP N N 582 122.364 122.364 118.167 4.197 25953 2719 1 7 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.133 -0.332 25953 2720 1 7 . 1 1 582 582 TRP C C 582 176.750 176.750 176.089 0.661 25953 2721 1 7 . 1 1 582 582 TRP CA C 582 57.033 57.033 55.911 1.121 25953 2722 1 7 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.011 -2.154 25953 2723 1 7 . 1 1 582 582 TRP H H 582 8.841 8.841 8.383 0.458 25953 2724 1 7 . 1 1 583 583 VAL N N 583 115.147 115.147 119.654 -4.507 25953 2725 1 7 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.821 0.295 25953 2726 1 7 . 1 1 583 583 VAL C C 583 175.063 175.063 174.000 1.063 25953 2727 1 7 . 1 1 583 583 VAL CA C 583 59.398 59.398 59.970 -0.572 25953 2728 1 7 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.764 0.005 25953 2729 1 7 . 1 1 583 583 VAL H H 583 9.440 9.440 9.305 0.135 25953 2730 1 7 . 1 1 584 584 TRP N N 584 123.710 123.710 126.385 -2.675 25953 2731 1 7 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.054 0.196 25953 2732 1 7 . 1 1 584 584 TRP C C 584 176.436 176.436 174.620 1.816 25953 2733 1 7 . 1 1 584 584 TRP CA C 584 54.401 54.401 55.056 -0.655 25953 2734 1 7 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.064 -1.621 25953 2735 1 7 . 1 1 584 584 TRP H H 584 9.295 9.295 9.047 0.248 25953 2736 1 7 . 1 1 585 585 LYS N N 585 122.031 122.031 122.502 -0.471 25953 2737 1 7 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.949 -0.386 25953 2738 1 7 . 1 1 585 585 LYS C C 585 178.886 178.886 176.569 2.317 25953 2739 1 7 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.620 1.693 25953 2740 1 7 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.404 -0.971 25953 2741 1 7 . 1 1 585 585 LYS H H 585 8.689 8.689 8.298 0.391 25953 2742 1 7 . 1 1 586 586 ASN N N 586 123.634 123.634 119.655 3.979 25953 2743 1 7 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.467 0.436 25953 2744 1 7 . 1 1 586 586 ASN C C 586 176.043 176.043 173.957 2.086 25953 2745 1 7 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.295 0.407 25953 2746 1 7 . 1 1 586 586 ASN CB C 586 37.052 37.052 38.123 -1.071 25953 2747 1 7 . 1 1 586 586 ASN H H 586 8.830 8.830 9.306 -0.476 25953 2748 1 7 . 1 1 587 587 THR N N 587 114.536 114.536 113.298 1.238 25953 2749 1 7 . 1 1 587 587 THR HA H 587 5.482 5.482 5.201 0.281 25953 2750 1 7 . 1 1 587 587 THR C C 587 171.882 171.882 173.262 -1.380 25953 2751 1 7 . 1 1 587 587 THR CA C 587 63.252 63.252 61.947 1.305 25953 2752 1 7 . 1 1 587 587 THR CB C 587 73.106 73.106 71.999 1.107 25953 2753 1 7 . 1 1 587 587 THR H H 587 8.179 8.179 7.672 0.507 25953 2754 1 7 . 1 1 588 588 ILE N N 588 120.751 120.751 121.865 -1.114 25953 2755 1 7 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.495 -0.064 25953 2756 1 7 . 1 1 588 588 ILE C C 588 171.550 171.550 172.960 -1.410 25953 2757 1 7 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.674 -0.714 25953 2758 1 7 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.157 2.195 25953 2759 1 7 . 1 1 588 588 ILE H H 588 8.984 8.984 9.125 -0.141 25953 2760 1 7 . 1 1 589 589 GLU N N 589 125.535 125.535 128.860 -3.325 25953 2761 1 7 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.554 0.257 25953 2762 1 7 . 1 1 589 589 GLU C C 589 175.587 175.587 174.222 1.365 25953 2763 1 7 . 1 1 589 589 GLU CA C 589 54.161 54.161 53.647 0.514 25953 2764 1 7 . 1 1 589 589 GLU CB C 589 31.623 31.623 30.697 0.926 25953 2765 1 7 . 1 1 589 589 GLU H H 589 8.337 8.337 8.236 0.101 25953 2766 1 7 . 1 1 590 590 VAL N N 590 126.684 126.684 123.971 2.713 25953 2767 1 7 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.289 -0.302 25953 2768 1 7 . 1 1 590 590 VAL C C 590 176.078 176.078 175.640 0.438 25953 2769 1 7 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.987 0.587 25953 2770 1 7 . 1 1 590 590 VAL CB C 590 33.828 33.828 35.012 -1.184 25953 2771 1 7 . 1 1 590 590 VAL H H 590 9.013 9.013 8.694 0.319 25953 2772 1 7 . 1 1 591 591 ASN N N 591 127.075 127.075 125.250 1.825 25953 2773 1 7 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.349 -0.046 25953 2774 1 7 . 1 1 591 591 ASN C C 591 175.223 175.223 175.939 -0.716 25953 2775 1 7 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.166 -0.118 25953 2776 1 7 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.099 -0.330 25953 2777 1 7 . 1 1 591 591 ASN H H 591 9.347 9.347 9.448 -0.101 25953 2778 1 7 . 1 1 592 592 GLY N N 592 104.628 104.628 103.679 0.949 25953 2779 1 7 . 1 1 592 592 GLY C C 592 172.842 172.842 174.400 -1.558 25953 2780 1 7 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.903 -0.622 25953 2781 1 7 . 1 1 592 592 GLY H H 592 8.990 8.990 7.963 1.027 25953 2782 1 7 . 1 1 593 593 LYS N N 593 120.387 120.387 120.640 -0.253 25953 2783 1 7 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.448 -0.261 25953 2784 1 7 . 1 1 593 593 LYS C C 593 173.344 173.344 175.318 -1.974 25953 2785 1 7 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.341 -1.202 25953 2786 1 7 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.067 0.879 25953 2787 1 7 . 1 1 593 593 LYS H H 593 7.485 7.485 7.781 -0.296 25953 2788 1 7 . 1 1 594 594 TYR N N 594 119.730 119.730 119.037 0.693 25953 2789 1 7 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.791 0.040 25953 2790 1 7 . 1 1 594 594 TYR C C 594 173.851 173.851 175.561 -1.710 25953 2791 1 7 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.461 -0.533 25953 2792 1 7 . 1 1 594 594 TYR CB C 594 37.574 37.574 41.139 -3.565 25953 2793 1 7 . 1 1 594 594 TYR H H 594 7.092 7.092 8.069 -0.978 25953 2794 1 7 . 1 1 595 595 PHE N N 595 116.435 116.435 116.730 -0.295 25953 2795 1 7 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.793 0.245 25953 2796 1 7 . 1 1 595 595 PHE C C 595 177.013 177.013 174.088 2.925 25953 2797 1 7 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.175 -1.647 25953 2798 1 7 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.151 1.247 25953 2799 1 7 . 1 1 595 595 PHE H H 595 8.459 8.459 8.952 -0.493 25953 2800 1 7 . 1 1 596 596 N N 596 118.187 118.187 10001.400 -9883.210 25953 2801 1 7 . 1 1 596 596 HA H 596 6.064 6.064 9999.600 -9993.540 25953 2802 1 7 . 1 1 596 596 CA C 596 58.668 58.668 9998.310 -9939.640 25953 2803 1 7 . 1 1 596 596 CB C 596 32.486 32.486 10000.900 -9968.410 25953 2804 1 7 . 1 1 596 596 H H 596 9.113 9.113 9999.870 -9990.760 25953 2805 1 7 . 1 1 597 597 SER N N 597 118.403 118.403 121.641 -3.238 25953 2806 1 7 . 1 1 597 597 SER HA H 597 4.798 4.798 4.286 0.512 25953 2807 1 7 . 1 1 597 597 SER C C 597 179.336 179.336 176.643 2.693 25953 2808 1 7 . 1 1 597 597 SER CA C 597 60.633 60.633 62.857 -2.224 25953 2809 1 7 . 1 1 597 597 SER CB C 597 62.965 62.965 63.500 -0.535 25953 2810 1 7 . 1 1 597 597 SER H H 597 8.110 8.110 8.915 -0.805 25953 2811 1 7 . 1 1 598 598 THR N N 598 111.927 111.927 114.565 -2.638 25953 2812 1 7 . 1 1 598 598 THR HA H 598 3.991 3.991 4.134 -0.143 25953 2813 1 7 . 1 1 598 598 THR C C 598 178.244 178.244 175.947 2.297 25953 2814 1 7 . 1 1 598 598 THR CA C 598 64.766 64.766 65.077 -0.311 25953 2815 1 7 . 1 1 598 598 THR CB C 598 67.467 67.467 68.728 -1.261 25953 2816 1 7 . 1 1 598 598 THR H H 598 9.120 9.120 8.640 0.480 25953 2817 1 7 . 1 1 599 599 N N 599 117.596 117.596 10000.000 -9882.400 25953 2818 1 7 . 1 1 599 599 HA H 599 4.055 4.055 9999.080 -9995.030 25953 2819 1 7 . 1 1 599 599 C C 599 177.266 177.266 10001.100 -9823.830 25953 2820 1 7 . 1 1 599 599 CA C 599 63.602 63.602 10002.200 -9938.600 25953 2821 1 7 . 1 1 599 599 CB C 599 30.014 30.014 9998.160 -9968.150 25953 2822 1 7 . 1 1 599 599 H H 599 6.935 6.935 9998.720 -9991.790 25953 2823 1 7 . 1 1 600 600 TYR N N 600 119.532 119.532 121.054 -1.522 25953 2824 1 7 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.030 -0.433 25953 2825 1 7 . 1 1 600 600 TYR C C 600 177.533 177.533 177.010 0.523 25953 2826 1 7 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.469 0.665 25953 2827 1 7 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.200 1.221 25953 2828 1 7 . 1 1 600 600 TYR H H 600 8.396 8.396 8.927 -0.531 25953 2829 1 7 . 1 1 601 601 N N 601 117.457 117.457 9998.840 -9881.380 25953 2830 1 7 . 1 1 601 601 HA H 601 4.126 4.126 9998.680 -9994.550 25953 2831 1 7 . 1 1 601 601 CA C 601 60.119 60.119 10002.600 -9942.480 25953 2832 1 7 . 1 1 601 601 CB C 601 29.903 29.903 9998.990 -9969.090 25953 2833 1 7 . 1 1 601 601 H H 601 8.417 8.417 9998.880 -9990.460 25953 2834 1 7 . 1 1 602 602 GLU N N 602 118.228 118.228 116.259 1.969 25953 2835 1 7 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.269 -0.188 25953 2836 1 7 . 1 1 602 602 GLU C C 602 177.912 177.912 178.168 -0.256 25953 2837 1 7 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.677 0.483 25953 2838 1 7 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.003 -0.270 25953 2839 1 7 . 1 1 602 602 GLU H H 602 8.094 8.094 7.880 0.214 25953 2840 1 7 . 1 1 603 603 THR N N 603 111.252 111.252 113.953 -2.701 25953 2841 1 7 . 1 1 603 603 THR HA H 603 4.265 4.265 4.178 0.087 25953 2842 1 7 . 1 1 603 603 THR C C 603 175.279 175.279 174.936 0.343 25953 2843 1 7 . 1 1 603 603 THR CA C 603 63.116 63.116 63.375 -0.259 25953 2844 1 7 . 1 1 603 603 THR CB C 603 69.801 69.801 69.299 0.502 25953 2845 1 7 . 1 1 603 603 THR H H 603 7.578 7.578 7.281 0.297 25953 2846 1 7 . 1 1 604 604 SER N N 604 117.291 117.291 117.518 -0.227 25953 2847 1 7 . 1 1 604 604 SER HA H 604 4.221 4.221 3.504 0.717 25953 2848 1 7 . 1 1 604 604 SER C C 604 174.838 174.838 172.793 2.045 25953 2849 1 7 . 1 1 604 604 SER CA C 604 59.105 59.105 58.779 0.326 25953 2850 1 7 . 1 1 604 604 SER CB C 604 63.387 63.387 63.507 -0.120 25953 2851 1 7 . 1 1 604 604 SER H H 604 7.849 7.849 7.507 0.342 25953 2852 1 7 . 1 1 605 605 GLN N N 605 120.747 120.747 126.868 -6.121 25953 2853 1 7 . 1 1 605 605 GLN C C 605 175.801 175.801 174.797 1.004 25953 2854 1 7 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.416 0.664 25953 2855 1 7 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.732 -1.806 25953 2856 1 7 . 1 1 605 605 GLN H H 605 7.971 7.971 8.475 -0.504 25953 2857 1 8 . 1 1 535 535 SER HA H 535 4.465 4.465 4.461 0.004 25953 2858 1 8 . 1 1 535 535 SER C C 535 174.718 174.718 173.397 1.321 25953 2859 1 8 . 1 1 535 535 SER CA C 535 58.323 58.323 58.215 0.108 25953 2860 1 8 . 1 1 535 535 SER CB C 535 63.845 63.845 64.010 -0.165 25953 2861 1 8 . 1 1 536 536 GLU N N 536 122.899 122.899 119.045 3.854 25953 2862 1 8 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.335 -0.134 25953 2863 1 8 . 1 1 536 536 GLU C C 536 176.241 176.241 175.335 0.906 25953 2864 1 8 . 1 1 536 536 GLU CA C 536 57.077 57.077 55.155 1.922 25953 2865 1 8 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.378 0.454 25953 2866 1 8 . 1 1 536 536 GLU H H 536 8.638 8.638 7.522 1.116 25953 2867 1 8 . 1 1 537 537 PHE N N 537 120.390 120.390 119.624 0.766 25953 2868 1 8 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.743 -0.102 25953 2869 1 8 . 1 1 537 537 PHE C C 537 176.005 176.005 175.725 0.280 25953 2870 1 8 . 1 1 537 537 PHE CA C 537 57.804 57.804 58.594 -0.790 25953 2871 1 8 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.628 -0.178 25953 2872 1 8 . 1 1 537 537 PHE H H 537 8.266 8.266 8.401 -0.135 25953 2873 1 8 . 1 1 538 538 SER N N 538 117.148 117.148 113.694 3.454 25953 2874 1 8 . 1 1 538 538 SER HA H 538 4.399 4.399 4.620 -0.221 25953 2875 1 8 . 1 1 538 538 SER C C 538 174.167 174.167 172.837 1.330 25953 2876 1 8 . 1 1 538 538 SER CA C 538 58.437 58.437 57.464 0.973 25953 2877 1 8 . 1 1 538 538 SER CB C 538 63.956 63.956 66.180 -2.224 25953 2878 1 8 . 1 1 538 538 SER H H 538 8.194 8.194 7.588 0.606 25953 2879 1 8 . 1 1 539 539 ASP N N 539 122.404 122.404 121.179 1.225 25953 2880 1 8 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.715 -0.129 25953 2881 1 8 . 1 1 539 539 ASP C C 539 176.496 176.496 175.963 0.533 25953 2882 1 8 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.498 -0.027 25953 2883 1 8 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.403 -0.382 25953 2884 1 8 . 1 1 539 539 ASP H H 539 8.333 8.333 8.445 -0.112 25953 2885 1 8 . 1 1 540 540 ARG N N 540 121.337 121.337 120.140 1.197 25953 2886 1 8 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.456 -0.093 25953 2887 1 8 . 1 1 540 540 ARG C C 540 176.889 176.889 176.005 0.884 25953 2888 1 8 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.637 0.769 25953 2889 1 8 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.843 -0.478 25953 2890 1 8 . 1 1 540 540 ARG H H 540 8.293 8.293 8.474 -0.181 25953 2891 1 8 . 1 1 541 541 SER N N 541 116.606 116.606 116.859 -0.253 25953 2892 1 8 . 1 1 541 541 SER HA H 541 4.319 4.319 4.594 -0.275 25953 2893 1 8 . 1 1 541 541 SER C C 541 175.060 175.060 175.451 -0.391 25953 2894 1 8 . 1 1 541 541 SER CA C 541 59.655 59.655 57.722 1.933 25953 2895 1 8 . 1 1 541 541 SER CB C 541 63.417 63.417 64.139 -0.722 25953 2896 1 8 . 1 1 541 541 SER H H 541 8.369 8.369 7.963 0.406 25953 2897 1 8 . 1 1 542 542 ASN N N 542 120.759 120.759 121.895 -1.136 25953 2898 1 8 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.477 0.223 25953 2899 1 8 . 1 1 542 542 ASN C C 542 175.903 175.903 176.996 -1.093 25953 2900 1 8 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.917 -1.129 25953 2901 1 8 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.145 0.583 25953 2902 1 8 . 1 1 542 542 ASN H H 542 8.451 8.451 8.912 -0.461 25953 2903 1 8 . 1 1 543 543 GLU N N 543 120.886 120.886 121.084 -0.198 25953 2904 1 8 . 1 1 543 543 GLU HA H 543 3.991 3.991 3.999 -0.008 25953 2905 1 8 . 1 1 543 543 GLU C C 543 177.658 177.658 178.226 -0.568 25953 2906 1 8 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.812 -0.023 25953 2907 1 8 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.050 0.704 25953 2908 1 8 . 1 1 543 543 GLU H H 543 8.257 8.257 8.642 -0.385 25953 2909 1 8 . 1 1 544 544 LEU N N 544 119.978 119.978 118.269 1.709 25953 2910 1 8 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.053 0.034 25953 2911 1 8 . 1 1 544 544 LEU C C 544 179.340 179.340 178.876 0.464 25953 2912 1 8 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.434 -0.235 25953 2913 1 8 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.709 -0.098 25953 2914 1 8 . 1 1 544 544 LEU H H 544 8.104 8.104 7.626 0.478 25953 2915 1 8 . 1 1 545 545 GLU N N 545 120.432 120.432 120.267 0.165 25953 2916 1 8 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.042 0.018 25953 2917 1 8 . 1 1 545 545 GLU C C 545 178.371 178.371 178.716 -0.345 25953 2918 1 8 . 1 1 545 545 GLU CA C 545 58.243 58.243 58.976 -0.733 25953 2919 1 8 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.516 0.049 25953 2920 1 8 . 1 1 545 545 GLU H H 545 7.995 7.995 7.594 0.401 25953 2921 1 8 . 1 1 546 546 ILE N N 546 119.751 119.751 118.194 1.557 25953 2922 1 8 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.754 -0.130 25953 2923 1 8 . 1 1 546 546 ILE C C 546 178.857 178.857 178.561 0.296 25953 2924 1 8 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.725 -0.886 25953 2925 1 8 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.764 -0.110 25953 2926 1 8 . 1 1 546 546 ILE H H 546 7.828 7.828 7.545 0.283 25953 2927 1 8 . 1 1 547 547 ARG N N 547 120.304 120.304 119.274 1.030 25953 2928 1 8 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.311 0.046 25953 2929 1 8 . 1 1 547 547 ARG C C 547 176.842 176.842 177.992 -1.150 25953 2930 1 8 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.488 -0.613 25953 2931 1 8 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.145 0.315 25953 2932 1 8 . 1 1 547 547 ARG H H 547 8.313 8.313 7.563 0.750 25953 2933 1 8 . 1 1 548 548 GLY N N 548 104.777 104.777 105.847 -1.070 25953 2934 1 8 . 1 1 548 548 GLY C C 548 175.105 175.105 174.546 0.559 25953 2935 1 8 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.097 0.362 25953 2936 1 8 . 1 1 548 548 GLY H H 548 7.823 7.823 7.726 0.097 25953 2937 1 8 . 1 1 549 549 LYS N N 549 122.134 122.134 121.356 0.778 25953 2938 1 8 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.281 0.096 25953 2939 1 8 . 1 1 549 549 LYS C C 549 175.156 175.156 175.391 -0.235 25953 2940 1 8 . 1 1 549 549 LYS CA C 549 57.373 57.373 57.098 0.275 25953 2941 1 8 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.842 -0.695 25953 2942 1 8 . 1 1 549 549 LYS H H 549 7.257 7.257 7.371 -0.114 25953 2943 1 8 . 1 1 550 550 TYR N N 550 117.482 117.482 117.135 0.347 25953 2944 1 8 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.828 -0.070 25953 2945 1 8 . 1 1 550 550 TYR C C 550 174.650 174.650 173.991 0.659 25953 2946 1 8 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.086 0.945 25953 2947 1 8 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.494 0.733 25953 2948 1 8 . 1 1 550 550 TYR H H 550 8.108 8.108 8.400 -0.292 25953 2949 1 8 . 1 1 551 551 VAL N N 551 117.964 117.964 120.543 -2.579 25953 2950 1 8 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.255 0.204 25953 2951 1 8 . 1 1 551 551 VAL C C 551 174.974 174.974 173.936 1.038 25953 2952 1 8 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.686 -1.648 25953 2953 1 8 . 1 1 551 551 VAL CB C 551 36.793 36.793 36.690 0.103 25953 2954 1 8 . 1 1 551 551 VAL H H 551 8.549 8.549 8.477 0.072 25953 2955 1 8 . 1 1 552 552 VAL N N 552 126.679 126.679 126.190 0.489 25953 2956 1 8 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.335 -0.176 25953 2957 1 8 . 1 1 552 552 VAL C C 552 175.545 175.545 174.887 0.658 25953 2958 1 8 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.305 0.847 25953 2959 1 8 . 1 1 552 552 VAL CB C 552 31.958 31.958 31.914 0.044 25953 2960 1 8 . 1 1 552 552 VAL H H 552 8.642 8.642 8.369 0.273 25953 2961 1 8 . 1 1 553 553 VAL N N 553 129.744 129.744 127.803 1.941 25953 2962 1 8 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.314 -1.855 25953 2963 1 8 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.984 3.184 25953 2964 1 8 . 1 1 553 553 VAL CB C 553 31.384 31.384 34.862 -3.478 25953 2965 1 8 . 1 1 553 553 VAL H H 553 8.341 8.341 8.435 -0.094 25953 2966 1 8 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.667 -0.279 25953 2967 1 8 . 1 1 554 554 PRO C C 554 178.374 178.374 177.676 0.698 25953 2968 1 8 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.499 0.077 25953 2969 1 8 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.346 0.409 25953 2970 1 8 . 1 1 555 555 GLU N N 555 122.440 122.440 122.514 -0.074 25953 2971 1 8 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.831 0.223 25953 2972 1 8 . 1 1 555 555 GLU C C 555 176.757 176.757 176.253 0.504 25953 2973 1 8 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.904 -0.403 25953 2974 1 8 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.326 1.087 25953 2975 1 8 . 1 1 555 555 GLU H H 555 8.904 8.904 8.692 0.212 25953 2976 1 8 . 1 1 556 556 THR N N 556 104.703 104.703 107.445 -2.742 25953 2977 1 8 . 1 1 556 556 THR HA H 556 4.152 4.152 4.196 -0.044 25953 2978 1 8 . 1 1 556 556 THR C C 556 175.161 175.161 175.245 -0.084 25953 2979 1 8 . 1 1 556 556 THR CA C 556 61.379 61.379 62.592 -1.213 25953 2980 1 8 . 1 1 556 556 THR CB C 556 68.976 68.976 68.714 0.262 25953 2981 1 8 . 1 1 556 556 THR H H 556 7.160 7.160 7.720 -0.560 25953 2982 1 8 . 1 1 557 557 SER N N 557 116.705 116.705 118.773 -2.068 25953 2983 1 8 . 1 1 557 557 SER HA H 557 4.529 4.529 4.385 0.144 25953 2984 1 8 . 1 1 557 557 SER C C 557 175.325 175.325 174.069 1.256 25953 2985 1 8 . 1 1 557 557 SER CA C 557 58.036 58.036 57.373 0.663 25953 2986 1 8 . 1 1 557 557 SER CB C 557 63.214 63.214 62.139 1.075 25953 2987 1 8 . 1 1 557 557 SER H H 557 7.405 7.405 7.627 -0.222 25953 2988 1 8 . 1 1 558 558 GLN N N 558 127.356 127.356 124.048 3.308 25953 2989 1 8 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.923 0.246 25953 2990 1 8 . 1 1 558 558 GLN C C 558 176.491 176.491 174.581 1.910 25953 2991 1 8 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.506 -0.912 25953 2992 1 8 . 1 1 558 558 GLN CB C 558 28.773 28.773 27.545 1.228 25953 2993 1 8 . 1 1 558 558 GLN H H 558 8.915 8.915 8.484 0.431 25953 2994 1 8 . 1 1 559 559 ASP N N 559 116.840 116.840 120.584 -3.744 25953 2995 1 8 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.743 -0.258 25953 2996 1 8 . 1 1 559 559 ASP C C 559 175.554 175.554 176.069 -0.515 25953 2997 1 8 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.297 -0.094 25953 2998 1 8 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.279 -0.752 25953 2999 1 8 . 1 1 559 559 ASP H H 559 8.275 8.275 8.500 -0.225 25953 3000 1 8 . 1 1 560 560 MET N N 560 112.866 112.866 116.600 -3.734 25953 3001 1 8 . 1 1 560 560 MET HA H 560 3.899 3.899 3.766 0.133 25953 3002 1 8 . 1 1 560 560 MET C C 560 175.044 175.044 174.128 0.916 25953 3003 1 8 . 1 1 560 560 MET CA C 560 56.400 56.400 56.199 0.201 25953 3004 1 8 . 1 1 560 560 MET CB C 560 30.933 30.933 29.306 1.627 25953 3005 1 8 . 1 1 560 560 MET H H 560 7.935 7.935 8.072 -0.137 25953 3006 1 8 . 1 1 561 561 ALA N N 561 122.207 122.207 119.910 2.297 25953 3007 1 8 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.773 0.138 25953 3008 1 8 . 1 1 561 561 ALA C C 561 176.577 176.577 175.891 0.686 25953 3009 1 8 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.560 -0.583 25953 3010 1 8 . 1 1 561 561 ALA CB C 561 23.287 23.287 21.862 1.425 25953 3011 1 8 . 1 1 561 561 ALA H H 561 7.910 7.910 8.034 -0.124 25953 3012 1 8 . 1 1 562 562 PHE N N 562 117.027 117.027 121.812 -4.785 25953 3013 1 8 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.725 -0.089 25953 3014 1 8 . 1 1 562 562 PHE C C 562 170.988 170.988 173.762 -2.774 25953 3015 1 8 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.087 -0.858 25953 3016 1 8 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.862 -2.816 25953 3017 1 8 . 1 1 562 562 PHE H H 562 8.075 8.075 8.579 -0.504 25953 3018 1 8 . 1 1 563 563 LYS N N 563 120.420 120.420 123.381 -2.961 25953 3019 1 8 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.836 -0.336 25953 3020 1 8 . 1 1 563 563 LYS C C 563 176.093 176.093 175.474 0.619 25953 3021 1 8 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.629 -0.827 25953 3022 1 8 . 1 1 563 563 LYS CB C 563 33.679 33.679 33.929 -0.250 25953 3023 1 8 . 1 1 563 563 LYS H H 563 8.392 8.392 8.264 0.128 25953 3024 1 8 . 1 1 564 564 N N 564 132.535 132.535 10007.700 -9875.170 25953 3025 1 8 . 1 1 564 564 HA H 564 4.639 4.639 9998.930 -9994.290 25953 3026 1 8 . 1 1 564 564 C C 564 175.820 175.820 9997.910 -9822.090 25953 3027 1 8 . 1 1 564 564 CA C 564 57.545 57.545 9996.450 -9938.910 25953 3028 1 8 . 1 1 564 564 CB C 564 30.650 30.650 9998.340 -9967.690 25953 3029 1 8 . 1 1 564 564 H H 564 8.456 8.456 9999.470 -9991.010 25953 3030 1 8 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.393 -0.013 25953 3031 1 8 . 1 1 565 565 PRO C C 565 177.300 177.300 176.892 0.408 25953 3032 1 8 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.806 -0.413 25953 3033 1 8 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.711 1.294 25953 3034 1 8 . 1 1 566 566 ILE N N 566 118.529 118.529 119.668 -1.139 25953 3035 1 8 . 1 1 566 566 ILE HA H 566 4.131 4.131 4.011 0.120 25953 3036 1 8 . 1 1 566 566 ILE C C 566 176.361 176.361 177.536 -1.175 25953 3037 1 8 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.545 0.154 25953 3038 1 8 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.604 0.193 25953 3039 1 8 . 1 1 566 566 ILE H H 566 8.528 8.528 8.268 0.260 25953 3040 1 8 . 1 1 567 567 N N 567 116.646 116.646 9993.990 -9877.340 25953 3041 1 8 . 1 1 567 567 HA H 567 4.932 4.932 9999.400 -9994.470 25953 3042 1 8 . 1 1 567 567 C C 567 176.175 176.175 9999.140 -9822.960 25953 3043 1 8 . 1 1 567 567 CA C 567 58.801 58.801 9997.120 -9938.320 25953 3044 1 8 . 1 1 567 567 CB C 567 31.243 31.243 10000.800 -9969.560 25953 3045 1 8 . 1 1 567 567 H H 567 7.770 7.770 9998.620 -9990.850 25953 3046 1 8 . 1 1 568 568 LYS N N 568 116.867 116.867 119.981 -3.114 25953 3047 1 8 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.038 -0.023 25953 3048 1 8 . 1 1 568 568 LYS C C 568 175.290 175.290 175.168 0.122 25953 3049 1 8 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.488 0.386 25953 3050 1 8 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.945 -1.310 25953 3051 1 8 . 1 1 568 568 LYS H H 568 8.038 8.038 8.198 -0.160 25953 3052 1 8 . 1 1 569 569 GLU N N 569 120.683 120.683 118.295 2.388 25953 3053 1 8 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.635 -0.163 25953 3054 1 8 . 1 1 569 569 GLU C C 569 175.851 175.851 175.793 0.058 25953 3055 1 8 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.733 1.468 25953 3056 1 8 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.626 -1.283 25953 3057 1 8 . 1 1 569 569 GLU H H 569 8.380 8.380 7.708 0.672 25953 3058 1 8 . 1 1 570 570 THR N N 570 118.082 118.082 119.412 -1.330 25953 3059 1 8 . 1 1 570 570 THR HA H 570 4.378 4.378 4.901 -0.523 25953 3060 1 8 . 1 1 570 570 THR C C 570 174.070 174.070 174.496 -0.426 25953 3061 1 8 . 1 1 570 570 THR CA C 570 63.174 63.174 62.767 0.408 25953 3062 1 8 . 1 1 570 570 THR CB C 570 69.853 69.853 69.507 0.346 25953 3063 1 8 . 1 1 570 570 THR H H 570 8.565 8.565 8.615 -0.050 25953 3064 1 8 . 1 1 571 571 VAL N N 571 132.533 132.533 126.897 5.636 25953 3065 1 8 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.657 -0.786 25953 3066 1 8 . 1 1 571 571 VAL C C 571 174.198 174.198 174.508 -0.310 25953 3067 1 8 . 1 1 571 571 VAL CA C 571 62.070 62.070 59.847 2.223 25953 3068 1 8 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.024 -1.094 25953 3069 1 8 . 1 1 571 571 VAL H H 571 8.740 8.740 9.155 -0.415 25953 3070 1 8 . 1 1 572 572 THR N N 572 116.229 116.229 120.149 -3.920 25953 3071 1 8 . 1 1 572 572 THR HA H 572 5.243 5.243 5.370 -0.127 25953 3072 1 8 . 1 1 572 572 THR C C 572 175.803 175.803 175.631 0.172 25953 3073 1 8 . 1 1 572 572 THR CA C 572 60.095 60.095 60.217 -0.122 25953 3074 1 8 . 1 1 572 572 THR CB C 572 70.889 70.889 70.841 0.048 25953 3075 1 8 . 1 1 572 572 THR H H 572 8.089 8.089 8.428 -0.339 25953 3076 1 8 . 1 1 573 573 GLY N N 573 110.544 110.544 110.472 0.072 25953 3077 1 8 . 1 1 573 573 GLY C C 573 172.769 172.769 173.846 -1.077 25953 3078 1 8 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.964 1.470 25953 3079 1 8 . 1 1 573 573 GLY H H 573 8.871 8.871 8.445 0.426 25953 3080 1 8 . 1 1 574 574 VAL N N 574 120.833 120.833 119.829 1.004 25953 3081 1 8 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.757 0.070 25953 3082 1 8 . 1 1 574 574 VAL C C 574 173.472 173.472 174.179 -0.707 25953 3083 1 8 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.840 0.161 25953 3084 1 8 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.555 0.084 25953 3085 1 8 . 1 1 574 574 VAL H H 574 9.473 9.473 8.810 0.663 25953 3086 1 8 . 1 1 575 575 TYR N N 575 126.796 126.796 125.675 1.121 25953 3087 1 8 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.402 -0.841 25953 3088 1 8 . 1 1 575 575 TYR C C 575 174.622 174.622 174.897 -0.275 25953 3089 1 8 . 1 1 575 575 TYR CA C 575 58.232 58.232 57.812 0.420 25953 3090 1 8 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.719 -1.455 25953 3091 1 8 . 1 1 575 575 TYR H H 575 8.410 8.410 8.701 -0.291 25953 3092 1 8 . 1 1 576 576 ASP N N 576 130.548 130.548 127.909 2.639 25953 3093 1 8 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.554 -0.124 25953 3094 1 8 . 1 1 576 576 ASP C C 576 174.399 174.399 175.650 -1.251 25953 3095 1 8 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.566 -0.057 25953 3096 1 8 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.647 -0.635 25953 3097 1 8 . 1 1 576 576 ASP H H 576 8.228 8.228 8.062 0.166 25953 3098 1 8 . 1 1 577 577 GLU N N 577 125.178 125.178 125.934 -0.756 25953 3099 1 8 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.198 -0.619 25953 3100 1 8 . 1 1 577 577 GLU C C 577 178.103 178.103 177.284 0.819 25953 3101 1 8 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.501 1.206 25953 3102 1 8 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.082 0.427 25953 3103 1 8 . 1 1 577 577 GLU H H 577 8.480 8.480 8.721 -0.241 25953 3104 1 8 . 1 1 578 578 GLU N N 578 117.933 117.933 120.134 -2.201 25953 3105 1 8 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.166 -0.197 25953 3106 1 8 . 1 1 578 578 GLU C C 578 177.632 177.632 178.056 -0.424 25953 3107 1 8 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.065 0.975 25953 3108 1 8 . 1 1 578 578 GLU CB C 578 29.386 29.386 30.019 -0.633 25953 3109 1 8 . 1 1 578 578 GLU H H 578 8.126 8.126 8.423 -0.297 25953 3110 1 8 . 1 1 579 579 SER N N 579 111.483 111.483 112.822 -1.339 25953 3111 1 8 . 1 1 579 579 SER HA H 579 4.343 4.343 4.377 -0.034 25953 3112 1 8 . 1 1 579 579 SER C C 579 176.070 176.070 175.042 1.028 25953 3113 1 8 . 1 1 579 579 SER CA C 579 58.557 58.557 58.801 -0.244 25953 3114 1 8 . 1 1 579 579 SER CB C 579 64.809 64.809 64.292 0.517 25953 3115 1 8 . 1 1 579 579 SER H H 579 7.510 7.510 8.383 -0.873 25953 3116 1 8 . 1 1 580 580 GLY N N 580 113.307 113.307 110.395 2.912 25953 3117 1 8 . 1 1 580 580 GLY C C 580 173.600 173.600 173.608 -0.008 25953 3118 1 8 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.059 1.048 25953 3119 1 8 . 1 1 580 580 GLY H H 580 8.196 8.196 7.706 0.490 25953 3120 1 8 . 1 1 581 581 GLU N N 581 116.623 116.623 118.267 -1.644 25953 3121 1 8 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.773 -0.068 25953 3122 1 8 . 1 1 581 581 GLU C C 581 174.750 174.750 174.540 0.210 25953 3123 1 8 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.617 0.252 25953 3124 1 8 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.257 -0.647 25953 3125 1 8 . 1 1 581 581 GLU H H 581 6.994 6.994 7.304 -0.310 25953 3126 1 8 . 1 1 582 582 TRP N N 582 122.364 122.364 118.901 3.463 25953 3127 1 8 . 1 1 582 582 TRP HA H 582 4.801 4.801 4.984 -0.183 25953 3128 1 8 . 1 1 582 582 TRP C C 582 176.750 176.750 176.240 0.510 25953 3129 1 8 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.285 -0.252 25953 3130 1 8 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.283 -2.426 25953 3131 1 8 . 1 1 582 582 TRP H H 582 8.841 8.841 8.476 0.365 25953 3132 1 8 . 1 1 583 583 VAL N N 583 115.147 115.147 119.107 -3.960 25953 3133 1 8 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.033 0.083 25953 3134 1 8 . 1 1 583 583 VAL C C 583 175.063 175.063 173.985 1.078 25953 3135 1 8 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.315 -0.917 25953 3136 1 8 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.461 0.308 25953 3137 1 8 . 1 1 583 583 VAL H H 583 9.440 9.440 9.344 0.096 25953 3138 1 8 . 1 1 584 584 TRP N N 584 123.710 123.710 125.616 -1.906 25953 3139 1 8 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.145 0.105 25953 3140 1 8 . 1 1 584 584 TRP C C 584 176.436 176.436 174.776 1.660 25953 3141 1 8 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.910 -0.509 25953 3142 1 8 . 1 1 584 584 TRP CB C 584 28.443 28.443 32.353 -3.910 25953 3143 1 8 . 1 1 584 584 TRP H H 584 9.295 9.295 9.239 0.056 25953 3144 1 8 . 1 1 585 585 LYS N N 585 122.031 122.031 123.403 -1.372 25953 3145 1 8 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.773 -0.210 25953 3146 1 8 . 1 1 585 585 LYS C C 585 178.886 178.886 177.086 1.800 25953 3147 1 8 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.817 1.496 25953 3148 1 8 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.485 -1.052 25953 3149 1 8 . 1 1 585 585 LYS H H 585 8.689 8.689 8.797 -0.108 25953 3150 1 8 . 1 1 586 586 ASN N N 586 123.634 123.634 121.163 2.471 25953 3151 1 8 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.440 0.463 25953 3152 1 8 . 1 1 586 586 ASN C C 586 176.043 176.043 173.876 2.167 25953 3153 1 8 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.246 0.456 25953 3154 1 8 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.788 -0.736 25953 3155 1 8 . 1 1 586 586 ASN H H 586 8.830 8.830 9.102 -0.272 25953 3156 1 8 . 1 1 587 587 THR N N 587 114.536 114.536 113.967 0.569 25953 3157 1 8 . 1 1 587 587 THR HA H 587 5.482 5.482 5.196 0.286 25953 3158 1 8 . 1 1 587 587 THR C C 587 171.882 171.882 173.904 -2.022 25953 3159 1 8 . 1 1 587 587 THR CA C 587 63.252 63.252 62.121 1.131 25953 3160 1 8 . 1 1 587 587 THR CB C 587 73.106 73.106 71.099 2.007 25953 3161 1 8 . 1 1 587 587 THR H H 587 8.179 8.179 7.712 0.467 25953 3162 1 8 . 1 1 588 588 ILE N N 588 120.751 120.751 121.510 -0.759 25953 3163 1 8 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.355 0.076 25953 3164 1 8 . 1 1 588 588 ILE C C 588 171.550 171.550 172.864 -1.314 25953 3165 1 8 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.853 -0.893 25953 3166 1 8 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.361 1.991 25953 3167 1 8 . 1 1 588 588 ILE H H 588 8.984 8.984 8.794 0.190 25953 3168 1 8 . 1 1 589 589 GLU N N 589 125.535 125.535 127.713 -2.178 25953 3169 1 8 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.789 0.022 25953 3170 1 8 . 1 1 589 589 GLU C C 589 175.587 175.587 174.420 1.167 25953 3171 1 8 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.051 0.110 25953 3172 1 8 . 1 1 589 589 GLU CB C 589 31.623 31.623 30.944 0.679 25953 3173 1 8 . 1 1 589 589 GLU H H 589 8.337 8.337 8.098 0.239 25953 3174 1 8 . 1 1 590 590 VAL N N 590 126.684 126.684 124.269 2.415 25953 3175 1 8 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.322 -0.335 25953 3176 1 8 . 1 1 590 590 VAL C C 590 176.078 176.078 175.782 0.296 25953 3177 1 8 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.216 0.358 25953 3178 1 8 . 1 1 590 590 VAL CB C 590 33.828 33.828 35.295 -1.467 25953 3179 1 8 . 1 1 590 590 VAL H H 590 9.013 9.013 8.665 0.348 25953 3180 1 8 . 1 1 591 591 ASN N N 591 127.075 127.075 126.746 0.329 25953 3181 1 8 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.339 -0.036 25953 3182 1 8 . 1 1 591 591 ASN C C 591 175.223 175.223 175.586 -0.363 25953 3183 1 8 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.356 -0.308 25953 3184 1 8 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.502 -0.733 25953 3185 1 8 . 1 1 591 591 ASN H H 591 9.347 9.347 9.483 -0.136 25953 3186 1 8 . 1 1 592 592 GLY N N 592 104.628 104.628 104.467 0.161 25953 3187 1 8 . 1 1 592 592 GLY C C 592 172.842 172.842 174.209 -1.367 25953 3188 1 8 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.281 -0.000 25953 3189 1 8 . 1 1 592 592 GLY H H 592 8.990 8.990 8.090 0.900 25953 3190 1 8 . 1 1 593 593 LYS N N 593 120.387 120.387 119.705 0.682 25953 3191 1 8 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.646 -0.460 25953 3192 1 8 . 1 1 593 593 LYS C C 593 173.344 173.344 175.135 -1.791 25953 3193 1 8 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.244 -1.105 25953 3194 1 8 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.676 0.270 25953 3195 1 8 . 1 1 593 593 LYS H H 593 7.485 7.485 7.890 -0.405 25953 3196 1 8 . 1 1 594 594 TYR N N 594 119.730 119.730 119.525 0.205 25953 3197 1 8 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.941 -0.110 25953 3198 1 8 . 1 1 594 594 TYR C C 594 173.851 173.851 175.618 -1.767 25953 3199 1 8 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.513 -0.585 25953 3200 1 8 . 1 1 594 594 TYR CB C 594 37.574 37.574 41.190 -3.615 25953 3201 1 8 . 1 1 594 594 TYR H H 594 7.092 7.092 8.479 -1.387 25953 3202 1 8 . 1 1 595 595 PHE N N 595 116.435 116.435 118.281 -1.846 25953 3203 1 8 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.766 0.272 25953 3204 1 8 . 1 1 595 595 PHE C C 595 177.013 177.013 173.967 3.046 25953 3205 1 8 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.028 -1.500 25953 3206 1 8 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.182 1.216 25953 3207 1 8 . 1 1 595 595 PHE H H 595 8.459 8.459 8.780 -0.321 25953 3208 1 8 . 1 1 596 596 N N 596 118.187 118.187 10000.000 -9881.810 25953 3209 1 8 . 1 1 596 596 HA H 596 6.064 6.064 9999.710 -9993.650 25953 3210 1 8 . 1 1 596 596 CA C 596 58.668 58.668 9998.530 -9939.860 25953 3211 1 8 . 1 1 596 596 CB C 596 32.486 32.486 10001.100 -9968.610 25953 3212 1 8 . 1 1 596 596 H H 596 9.113 9.113 9999.750 -9990.640 25953 3213 1 8 . 1 1 597 597 SER N N 597 118.403 118.403 119.414 -1.011 25953 3214 1 8 . 1 1 597 597 SER HA H 597 4.798 4.798 4.372 0.426 25953 3215 1 8 . 1 1 597 597 SER C C 597 179.336 179.336 176.555 2.781 25953 3216 1 8 . 1 1 597 597 SER CA C 597 60.633 60.633 61.639 -1.006 25953 3217 1 8 . 1 1 597 597 SER CB C 597 62.965 62.965 63.393 -0.428 25953 3218 1 8 . 1 1 597 597 SER H H 597 8.110 8.110 9.163 -1.053 25953 3219 1 8 . 1 1 598 598 THR N N 598 111.927 111.927 116.964 -5.037 25953 3220 1 8 . 1 1 598 598 THR HA H 598 3.991 3.991 4.053 -0.062 25953 3221 1 8 . 1 1 598 598 THR C C 598 178.244 178.244 176.204 2.040 25953 3222 1 8 . 1 1 598 598 THR CA C 598 64.766 64.766 65.806 -1.040 25953 3223 1 8 . 1 1 598 598 THR CB C 598 67.467 67.467 68.159 -0.692 25953 3224 1 8 . 1 1 598 598 THR H H 598 9.120 9.120 8.156 0.964 25953 3225 1 8 . 1 1 599 599 N N 599 117.596 117.596 10000.100 -9882.500 25953 3226 1 8 . 1 1 599 599 HA H 599 4.055 4.055 9999.020 -9994.960 25953 3227 1 8 . 1 1 599 599 C C 599 177.266 177.266 10001.400 -9824.130 25953 3228 1 8 . 1 1 599 599 CA C 599 63.602 63.602 10002.700 -9939.100 25953 3229 1 8 . 1 1 599 599 CB C 599 30.014 30.014 9997.770 -9967.760 25953 3230 1 8 . 1 1 599 599 H H 599 6.935 6.935 9998.880 -9991.950 25953 3231 1 8 . 1 1 600 600 TYR N N 600 119.532 119.532 120.836 -1.304 25953 3232 1 8 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.111 -0.514 25953 3233 1 8 . 1 1 600 600 TYR C C 600 177.533 177.533 177.613 -0.080 25953 3234 1 8 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.132 1.002 25953 3235 1 8 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.241 1.180 25953 3236 1 8 . 1 1 600 600 TYR H H 600 8.396 8.396 8.814 -0.418 25953 3237 1 8 . 1 1 601 601 N N 601 117.457 117.457 9999.130 -9881.670 25953 3238 1 8 . 1 1 601 601 HA H 601 4.126 4.126 9998.690 -9994.560 25953 3239 1 8 . 1 1 601 601 CA C 601 60.119 60.119 10002.400 -9942.280 25953 3240 1 8 . 1 1 601 601 CB C 601 29.903 29.903 9999.010 -9969.110 25953 3241 1 8 . 1 1 601 601 H H 601 8.417 8.417 9998.890 -9990.470 25953 3242 1 8 . 1 1 602 602 GLU N N 602 118.228 118.228 118.647 -0.419 25953 3243 1 8 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.197 -0.116 25953 3244 1 8 . 1 1 602 602 GLU C C 602 177.912 177.912 177.441 0.471 25953 3245 1 8 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.059 0.101 25953 3246 1 8 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.679 0.054 25953 3247 1 8 . 1 1 602 602 GLU H H 602 8.094 8.094 7.999 0.095 25953 3248 1 8 . 1 1 603 603 THR N N 603 111.252 111.252 111.616 -0.364 25953 3249 1 8 . 1 1 603 603 THR HA H 603 4.265 4.265 4.196 0.069 25953 3250 1 8 . 1 1 603 603 THR C C 603 175.279 175.279 174.323 0.956 25953 3251 1 8 . 1 1 603 603 THR CA C 603 63.116 63.116 61.209 1.907 25953 3252 1 8 . 1 1 603 603 THR CB C 603 69.801 69.801 69.073 0.728 25953 3253 1 8 . 1 1 603 603 THR H H 603 7.578 7.578 7.520 0.058 25953 3254 1 8 . 1 1 604 604 SER N N 604 117.291 117.291 115.558 1.733 25953 3255 1 8 . 1 1 604 604 SER HA H 604 4.221 4.221 4.115 0.106 25953 3256 1 8 . 1 1 604 604 SER C C 604 174.838 174.838 173.237 1.601 25953 3257 1 8 . 1 1 604 604 SER CA C 604 59.105 59.105 58.609 0.496 25953 3258 1 8 . 1 1 604 604 SER CB C 604 63.387 63.387 63.545 -0.158 25953 3259 1 8 . 1 1 604 604 SER H H 604 7.849 7.849 7.504 0.345 25953 3260 1 8 . 1 1 605 605 GLN N N 605 120.747 120.747 123.001 -2.254 25953 3261 1 8 . 1 1 605 605 GLN C C 605 175.801 175.801 173.608 2.193 25953 3262 1 8 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.240 0.840 25953 3263 1 8 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.436 -1.510 25953 3264 1 8 . 1 1 605 605 GLN H H 605 7.971 7.971 8.419 -0.448 25953 3265 1 9 . 1 1 535 535 SER HA H 535 4.465 4.465 4.349 0.116 25953 3266 1 9 . 1 1 535 535 SER C C 535 174.718 174.718 173.049 1.669 25953 3267 1 9 . 1 1 535 535 SER CA C 535 58.323 58.323 57.081 1.242 25953 3268 1 9 . 1 1 535 535 SER CB C 535 63.845 63.845 63.222 0.623 25953 3269 1 9 . 1 1 536 536 GLU N N 536 122.899 122.899 123.170 -0.271 25953 3270 1 9 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.270 -0.069 25953 3271 1 9 . 1 1 536 536 GLU C C 536 176.241 176.241 175.722 0.519 25953 3272 1 9 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.081 0.995 25953 3273 1 9 . 1 1 536 536 GLU CB C 536 29.832 29.832 28.233 1.599 25953 3274 1 9 . 1 1 536 536 GLU H H 536 8.638 8.638 8.520 0.118 25953 3275 1 9 . 1 1 537 537 PHE N N 537 120.390 120.390 119.523 0.867 25953 3276 1 9 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.372 0.269 25953 3277 1 9 . 1 1 537 537 PHE C C 537 176.005 176.005 176.661 -0.656 25953 3278 1 9 . 1 1 537 537 PHE CA C 537 57.804 57.804 58.025 -0.221 25953 3279 1 9 . 1 1 537 537 PHE CB C 537 39.450 39.450 38.565 0.885 25953 3280 1 9 . 1 1 537 537 PHE H H 537 8.266 8.266 7.555 0.711 25953 3281 1 9 . 1 1 538 538 SER N N 538 117.148 117.148 115.592 1.556 25953 3282 1 9 . 1 1 538 538 SER HA H 538 4.399 4.399 4.519 -0.120 25953 3283 1 9 . 1 1 538 538 SER C C 538 174.167 174.167 175.365 -1.198 25953 3284 1 9 . 1 1 538 538 SER CA C 538 58.437 58.437 57.507 0.930 25953 3285 1 9 . 1 1 538 538 SER CB C 538 63.956 63.956 64.670 -0.714 25953 3286 1 9 . 1 1 538 538 SER H H 538 8.194 8.194 7.590 0.604 25953 3287 1 9 . 1 1 539 539 ASP N N 539 122.404 122.404 118.645 3.759 25953 3288 1 9 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.603 -0.017 25953 3289 1 9 . 1 1 539 539 ASP C C 539 176.496 176.496 176.562 -0.066 25953 3290 1 9 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.081 0.390 25953 3291 1 9 . 1 1 539 539 ASP CB C 539 41.021 41.021 39.718 1.303 25953 3292 1 9 . 1 1 539 539 ASP H H 539 8.333 8.333 8.763 -0.430 25953 3293 1 9 . 1 1 540 540 ARG N N 540 121.337 121.337 118.828 2.509 25953 3294 1 9 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.250 0.113 25953 3295 1 9 . 1 1 540 540 ARG C C 540 176.889 176.889 176.643 0.246 25953 3296 1 9 . 1 1 540 540 ARG CA C 540 56.406 56.406 57.197 -0.791 25953 3297 1 9 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.632 -0.267 25953 3298 1 9 . 1 1 540 540 ARG H H 540 8.293 8.293 8.258 0.035 25953 3299 1 9 . 1 1 541 541 SER N N 541 116.606 116.606 112.878 3.728 25953 3300 1 9 . 1 1 541 541 SER HA H 541 4.319 4.319 4.572 -0.253 25953 3301 1 9 . 1 1 541 541 SER C C 541 175.060 175.060 173.015 2.045 25953 3302 1 9 . 1 1 541 541 SER CA C 541 59.655 59.655 57.731 1.924 25953 3303 1 9 . 1 1 541 541 SER CB C 541 63.417 63.417 65.232 -1.815 25953 3304 1 9 . 1 1 541 541 SER H H 541 8.369 8.369 7.726 0.643 25953 3305 1 9 . 1 1 542 542 ASN N N 542 120.759 120.759 120.239 0.520 25953 3306 1 9 . 1 1 542 542 ASN HA H 542 4.700 4.700 5.003 -0.303 25953 3307 1 9 . 1 1 542 542 ASN C C 542 175.903 175.903 175.509 0.394 25953 3308 1 9 . 1 1 542 542 ASN CA C 542 53.788 53.788 52.811 0.977 25953 3309 1 9 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.505 0.223 25953 3310 1 9 . 1 1 542 542 ASN H H 542 8.451 8.451 8.723 -0.272 25953 3311 1 9 . 1 1 543 543 GLU N N 543 120.886 120.886 121.321 -0.435 25953 3312 1 9 . 1 1 543 543 GLU HA H 543 3.991 3.991 3.988 0.003 25953 3313 1 9 . 1 1 543 543 GLU C C 543 177.658 177.658 177.458 0.200 25953 3314 1 9 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.007 -0.218 25953 3315 1 9 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.606 0.148 25953 3316 1 9 . 1 1 543 543 GLU H H 543 8.257 8.257 8.328 -0.071 25953 3317 1 9 . 1 1 544 544 LEU N N 544 119.978 119.978 117.834 2.144 25953 3318 1 9 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.386 -0.299 25953 3319 1 9 . 1 1 544 544 LEU C C 544 179.340 179.340 178.824 0.516 25953 3320 1 9 . 1 1 544 544 LEU CA C 544 57.198 57.198 55.583 1.615 25953 3321 1 9 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.771 -0.160 25953 3322 1 9 . 1 1 544 544 LEU H H 544 8.104 8.104 7.803 0.301 25953 3323 1 9 . 1 1 545 545 GLU N N 545 120.432 120.432 121.080 -0.648 25953 3324 1 9 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.099 -0.039 25953 3325 1 9 . 1 1 545 545 GLU C C 545 178.371 178.371 178.743 -0.372 25953 3326 1 9 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.165 -0.922 25953 3327 1 9 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.960 -0.396 25953 3328 1 9 . 1 1 545 545 GLU H H 545 7.995 7.995 7.609 0.386 25953 3329 1 9 . 1 1 546 546 ILE N N 546 119.751 119.751 118.172 1.579 25953 3330 1 9 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.819 -0.195 25953 3331 1 9 . 1 1 546 546 ILE C C 546 178.857 178.857 177.950 0.907 25953 3332 1 9 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.507 -0.668 25953 3333 1 9 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.724 -0.070 25953 3334 1 9 . 1 1 546 546 ILE H H 546 7.828 7.828 7.296 0.532 25953 3335 1 9 . 1 1 547 547 ARG N N 547 120.304 120.304 119.058 1.246 25953 3336 1 9 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.209 0.148 25953 3337 1 9 . 1 1 547 547 ARG C C 547 176.842 176.842 177.752 -0.910 25953 3338 1 9 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.471 -0.596 25953 3339 1 9 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.050 0.410 25953 3340 1 9 . 1 1 547 547 ARG H H 547 8.313 8.313 8.368 -0.055 25953 3341 1 9 . 1 1 548 548 GLY N N 548 104.777 104.777 104.729 0.048 25953 3342 1 9 . 1 1 548 548 GLY C C 548 175.105 175.105 174.924 0.181 25953 3343 1 9 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.765 0.695 25953 3344 1 9 . 1 1 548 548 GLY H H 548 7.823 7.823 7.377 0.446 25953 3345 1 9 . 1 1 549 549 LYS N N 549 122.134 122.134 121.640 0.494 25953 3346 1 9 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.490 -0.113 25953 3347 1 9 . 1 1 549 549 LYS C C 549 175.156 175.156 175.294 -0.138 25953 3348 1 9 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.006 1.367 25953 3349 1 9 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.069 -0.922 25953 3350 1 9 . 1 1 549 549 LYS H H 549 7.257 7.257 7.498 -0.241 25953 3351 1 9 . 1 1 550 550 TYR N N 550 117.482 117.482 114.493 2.989 25953 3352 1 9 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.674 0.084 25953 3353 1 9 . 1 1 550 550 TYR C C 550 174.650 174.650 174.107 0.543 25953 3354 1 9 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.072 -0.042 25953 3355 1 9 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.783 0.444 25953 3356 1 9 . 1 1 550 550 TYR H H 550 8.108 8.108 7.844 0.264 25953 3357 1 9 . 1 1 551 551 VAL N N 551 117.964 117.964 113.616 4.348 25953 3358 1 9 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.507 -0.048 25953 3359 1 9 . 1 1 551 551 VAL C C 551 174.974 174.974 174.336 0.638 25953 3360 1 9 . 1 1 551 551 VAL CA C 551 60.038 60.038 60.837 -0.799 25953 3361 1 9 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.756 1.037 25953 3362 1 9 . 1 1 551 551 VAL H H 551 8.549 8.549 8.479 0.070 25953 3363 1 9 . 1 1 552 552 VAL N N 552 126.679 126.679 124.668 2.011 25953 3364 1 9 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.370 -0.211 25953 3365 1 9 . 1 1 552 552 VAL C C 552 175.545 175.545 174.737 0.808 25953 3366 1 9 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.685 0.467 25953 3367 1 9 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.667 -0.709 25953 3368 1 9 . 1 1 552 552 VAL H H 552 8.642 8.642 8.557 0.085 25953 3369 1 9 . 1 1 553 553 VAL N N 553 129.744 129.744 128.196 1.548 25953 3370 1 9 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.100 -1.641 25953 3371 1 9 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.448 2.720 25953 3372 1 9 . 1 1 553 553 VAL CB C 553 31.384 31.384 32.893 -1.509 25953 3373 1 9 . 1 1 553 553 VAL H H 553 8.341 8.341 8.313 0.028 25953 3374 1 9 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.491 -0.103 25953 3375 1 9 . 1 1 554 554 PRO C C 554 178.374 178.374 177.337 1.037 25953 3376 1 9 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.666 -0.090 25953 3377 1 9 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.319 0.436 25953 3378 1 9 . 1 1 555 555 GLU N N 555 122.440 122.440 122.104 0.336 25953 3379 1 9 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.907 0.147 25953 3380 1 9 . 1 1 555 555 GLU C C 555 176.757 176.757 177.521 -0.764 25953 3381 1 9 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.075 -0.574 25953 3382 1 9 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.000 0.413 25953 3383 1 9 . 1 1 555 555 GLU H H 555 8.904 8.904 8.711 0.193 25953 3384 1 9 . 1 1 556 556 THR N N 556 104.703 104.703 113.338 -8.635 25953 3385 1 9 . 1 1 556 556 THR HA H 556 4.152 4.152 4.137 0.015 25953 3386 1 9 . 1 1 556 556 THR C C 556 175.161 175.161 175.047 0.114 25953 3387 1 9 . 1 1 556 556 THR CA C 556 61.379 61.379 64.089 -2.710 25953 3388 1 9 . 1 1 556 556 THR CB C 556 68.976 68.976 68.702 0.274 25953 3389 1 9 . 1 1 556 556 THR H H 556 7.160 7.160 7.900 -0.740 25953 3390 1 9 . 1 1 557 557 SER N N 557 116.705 116.705 117.879 -1.174 25953 3391 1 9 . 1 1 557 557 SER HA H 557 4.529 4.529 4.296 0.233 25953 3392 1 9 . 1 1 557 557 SER C C 557 175.325 175.325 175.681 -0.356 25953 3393 1 9 . 1 1 557 557 SER CA C 557 58.036 58.036 58.279 -0.243 25953 3394 1 9 . 1 1 557 557 SER CB C 557 63.214 63.214 62.752 0.462 25953 3395 1 9 . 1 1 557 557 SER H H 557 7.405 7.405 7.581 -0.176 25953 3396 1 9 . 1 1 558 558 GLN N N 558 127.356 127.356 127.451 -0.095 25953 3397 1 9 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.076 0.093 25953 3398 1 9 . 1 1 558 558 GLN C C 558 176.491 176.491 176.695 -0.204 25953 3399 1 9 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.490 -0.896 25953 3400 1 9 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.863 -0.090 25953 3401 1 9 . 1 1 558 558 GLN H H 558 8.915 8.915 8.765 0.150 25953 3402 1 9 . 1 1 559 559 ASP N N 559 116.840 116.840 117.177 -0.337 25953 3403 1 9 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.748 -0.263 25953 3404 1 9 . 1 1 559 559 ASP C C 559 175.554 175.554 175.548 0.006 25953 3405 1 9 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.761 -0.558 25953 3406 1 9 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.097 -0.571 25953 3407 1 9 . 1 1 559 559 ASP H H 559 8.275 8.275 8.611 -0.336 25953 3408 1 9 . 1 1 560 560 MET N N 560 112.866 112.866 115.537 -2.671 25953 3409 1 9 . 1 1 560 560 MET HA H 560 3.899 3.899 3.669 0.230 25953 3410 1 9 . 1 1 560 560 MET C C 560 175.044 175.044 174.299 0.745 25953 3411 1 9 . 1 1 560 560 MET CA C 560 56.400 56.400 56.028 0.372 25953 3412 1 9 . 1 1 560 560 MET CB C 560 30.933 30.933 29.980 0.953 25953 3413 1 9 . 1 1 560 560 MET H H 560 7.935 7.935 7.305 0.630 25953 3414 1 9 . 1 1 561 561 ALA N N 561 122.207 122.207 119.840 2.367 25953 3415 1 9 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.836 0.075 25953 3416 1 9 . 1 1 561 561 ALA C C 561 176.577 176.577 175.833 0.744 25953 3417 1 9 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.348 -0.371 25953 3418 1 9 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.260 1.027 25953 3419 1 9 . 1 1 561 561 ALA H H 561 7.910 7.910 7.591 0.319 25953 3420 1 9 . 1 1 562 562 PHE N N 562 117.027 117.027 123.030 -6.003 25953 3421 1 9 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.663 -0.027 25953 3422 1 9 . 1 1 562 562 PHE C C 562 170.988 170.988 173.349 -2.361 25953 3423 1 9 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.309 -1.079 25953 3424 1 9 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.612 -2.566 25953 3425 1 9 . 1 1 562 562 PHE H H 562 8.075 8.075 8.934 -0.859 25953 3426 1 9 . 1 1 563 563 LYS N N 563 120.420 120.420 128.275 -7.855 25953 3427 1 9 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.301 0.199 25953 3428 1 9 . 1 1 563 563 LYS C C 563 176.093 176.093 175.941 0.152 25953 3429 1 9 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.162 -1.360 25953 3430 1 9 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.258 1.421 25953 3431 1 9 . 1 1 563 563 LYS H H 563 8.392 8.392 7.590 0.802 25953 3432 1 9 . 1 1 564 564 N N 564 132.535 132.535 10008.700 -9876.170 25953 3433 1 9 . 1 1 564 564 HA H 564 4.639 4.639 9998.980 -9994.340 25953 3434 1 9 . 1 1 564 564 C C 564 175.820 175.820 9998.210 -9822.390 25953 3435 1 9 . 1 1 564 564 CA C 564 57.545 57.545 9996.930 -9939.380 25953 3436 1 9 . 1 1 564 564 CB C 564 30.650 30.650 9997.550 -9966.900 25953 3437 1 9 . 1 1 564 564 H H 564 8.456 8.456 9999.330 -9990.870 25953 3438 1 9 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.294 0.086 25953 3439 1 9 . 1 1 565 565 PRO C C 565 177.300 177.300 177.895 -0.595 25953 3440 1 9 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.132 -0.739 25953 3441 1 9 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.960 1.045 25953 3442 1 9 . 1 1 566 566 ILE N N 566 118.529 118.529 117.566 0.963 25953 3443 1 9 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.902 0.229 25953 3444 1 9 . 1 1 566 566 ILE C C 566 176.361 176.361 177.467 -1.106 25953 3445 1 9 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.909 -0.210 25953 3446 1 9 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.231 0.566 25953 3447 1 9 . 1 1 566 566 ILE H H 566 8.528 8.528 8.022 0.506 25953 3448 1 9 . 1 1 567 567 N N 567 116.646 116.646 9993.930 -9877.280 25953 3449 1 9 . 1 1 567 567 HA H 567 4.932 4.932 9999.400 -9994.470 25953 3450 1 9 . 1 1 567 567 C C 567 176.175 176.175 9999.110 -9822.940 25953 3451 1 9 . 1 1 567 567 CA C 567 58.801 58.801 9997.160 -9938.360 25953 3452 1 9 . 1 1 567 567 CB C 567 31.243 31.243 10000.800 -9969.560 25953 3453 1 9 . 1 1 567 567 H H 567 7.770 7.770 9998.650 -9990.880 25953 3454 1 9 . 1 1 568 568 LYS N N 568 116.867 116.867 119.664 -2.797 25953 3455 1 9 . 1 1 568 568 LYS HA H 568 4.015 4.015 3.995 0.020 25953 3456 1 9 . 1 1 568 568 LYS C C 568 175.290 175.290 174.947 0.343 25953 3457 1 9 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.453 0.422 25953 3458 1 9 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.555 -0.920 25953 3459 1 9 . 1 1 568 568 LYS H H 568 8.038 8.038 8.342 -0.304 25953 3460 1 9 . 1 1 569 569 GLU N N 569 120.683 120.683 118.188 2.495 25953 3461 1 9 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.619 -0.147 25953 3462 1 9 . 1 1 569 569 GLU C C 569 175.851 175.851 175.762 0.089 25953 3463 1 9 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.766 1.435 25953 3464 1 9 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.914 -1.571 25953 3465 1 9 . 1 1 569 569 GLU H H 569 8.380 8.380 7.697 0.683 25953 3466 1 9 . 1 1 570 570 THR N N 570 118.082 118.082 121.369 -3.287 25953 3467 1 9 . 1 1 570 570 THR HA H 570 4.378 4.378 4.614 -0.236 25953 3468 1 9 . 1 1 570 570 THR C C 570 174.070 174.070 174.069 0.001 25953 3469 1 9 . 1 1 570 570 THR CA C 570 63.174 63.174 62.825 0.349 25953 3470 1 9 . 1 1 570 570 THR CB C 570 69.853 69.853 69.362 0.491 25953 3471 1 9 . 1 1 570 570 THR H H 570 8.565 8.565 8.598 -0.033 25953 3472 1 9 . 1 1 571 571 VAL N N 571 132.533 132.533 128.368 4.165 25953 3473 1 9 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.458 -0.587 25953 3474 1 9 . 1 1 571 571 VAL C C 571 174.198 174.198 174.799 -0.601 25953 3475 1 9 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.309 1.762 25953 3476 1 9 . 1 1 571 571 VAL CB C 571 31.930 31.930 34.269 -2.339 25953 3477 1 9 . 1 1 571 571 VAL H H 571 8.740 8.740 9.046 -0.306 25953 3478 1 9 . 1 1 572 572 THR N N 572 116.229 116.229 120.207 -3.978 25953 3479 1 9 . 1 1 572 572 THR HA H 572 5.243 5.243 5.259 -0.016 25953 3480 1 9 . 1 1 572 572 THR C C 572 175.803 175.803 175.057 0.746 25953 3481 1 9 . 1 1 572 572 THR CA C 572 60.095 60.095 60.203 -0.108 25953 3482 1 9 . 1 1 572 572 THR CB C 572 70.889 70.889 71.524 -0.635 25953 3483 1 9 . 1 1 572 572 THR H H 572 8.089 8.089 8.268 -0.179 25953 3484 1 9 . 1 1 573 573 GLY N N 573 110.544 110.544 111.298 -0.754 25953 3485 1 9 . 1 1 573 573 GLY C C 573 172.769 172.769 173.881 -1.112 25953 3486 1 9 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.978 1.456 25953 3487 1 9 . 1 1 573 573 GLY H H 573 8.871 8.871 8.587 0.284 25953 3488 1 9 . 1 1 574 574 VAL N N 574 120.833 120.833 120.017 0.816 25953 3489 1 9 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.848 -0.021 25953 3490 1 9 . 1 1 574 574 VAL C C 574 173.472 173.472 173.973 -0.501 25953 3491 1 9 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.141 0.860 25953 3492 1 9 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.722 -0.083 25953 3493 1 9 . 1 1 574 574 VAL H H 574 9.473 9.473 8.853 0.620 25953 3494 1 9 . 1 1 575 575 TYR N N 575 126.796 126.796 125.479 1.317 25953 3495 1 9 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.271 -0.710 25953 3496 1 9 . 1 1 575 575 TYR C C 575 174.622 174.622 174.947 -0.325 25953 3497 1 9 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.460 -0.228 25953 3498 1 9 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.583 -1.319 25953 3499 1 9 . 1 1 575 575 TYR H H 575 8.410 8.410 8.848 -0.438 25953 3500 1 9 . 1 1 576 576 ASP N N 576 130.548 130.548 128.170 2.378 25953 3501 1 9 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.522 -0.092 25953 3502 1 9 . 1 1 576 576 ASP C C 576 174.399 174.399 175.687 -1.288 25953 3503 1 9 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.019 0.490 25953 3504 1 9 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.193 -0.181 25953 3505 1 9 . 1 1 576 576 ASP H H 576 8.228 8.228 8.212 0.016 25953 3506 1 9 . 1 1 577 577 GLU N N 577 125.178 125.178 125.823 -0.645 25953 3507 1 9 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.102 -0.523 25953 3508 1 9 . 1 1 577 577 GLU C C 577 178.103 178.103 177.193 0.910 25953 3509 1 9 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.793 0.914 25953 3510 1 9 . 1 1 577 577 GLU CB C 577 29.510 29.510 28.876 0.634 25953 3511 1 9 . 1 1 577 577 GLU H H 577 8.480 8.480 8.571 -0.091 25953 3512 1 9 . 1 1 578 578 GLU N N 578 117.933 117.933 120.204 -2.271 25953 3513 1 9 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.188 -0.219 25953 3514 1 9 . 1 1 578 578 GLU C C 578 177.632 177.632 178.024 -0.392 25953 3515 1 9 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.002 1.037 25953 3516 1 9 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.656 -0.270 25953 3517 1 9 . 1 1 578 578 GLU H H 578 8.126 8.126 8.241 -0.115 25953 3518 1 9 . 1 1 579 579 SER N N 579 111.483 111.483 113.003 -1.520 25953 3519 1 9 . 1 1 579 579 SER HA H 579 4.343 4.343 4.419 -0.076 25953 3520 1 9 . 1 1 579 579 SER C C 579 176.070 176.070 175.338 0.732 25953 3521 1 9 . 1 1 579 579 SER CA C 579 58.557 58.557 58.721 -0.165 25953 3522 1 9 . 1 1 579 579 SER CB C 579 64.809 64.809 64.579 0.230 25953 3523 1 9 . 1 1 579 579 SER H H 579 7.510 7.510 8.374 -0.864 25953 3524 1 9 . 1 1 580 580 GLY N N 580 113.307 113.307 110.529 2.778 25953 3525 1 9 . 1 1 580 580 GLY C C 580 173.600 173.600 173.544 0.056 25953 3526 1 9 . 1 1 580 580 GLY CA C 580 46.106 46.106 44.931 1.175 25953 3527 1 9 . 1 1 580 580 GLY H H 580 8.196 8.196 7.937 0.259 25953 3528 1 9 . 1 1 581 581 GLU N N 581 116.623 116.623 118.380 -1.757 25953 3529 1 9 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.731 -0.026 25953 3530 1 9 . 1 1 581 581 GLU C C 581 174.750 174.750 174.440 0.310 25953 3531 1 9 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.643 0.226 25953 3532 1 9 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.541 -0.931 25953 3533 1 9 . 1 1 581 581 GLU H H 581 6.994 6.994 7.299 -0.305 25953 3534 1 9 . 1 1 582 582 TRP N N 582 122.364 122.364 118.831 3.533 25953 3535 1 9 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.007 -0.206 25953 3536 1 9 . 1 1 582 582 TRP C C 582 176.750 176.750 176.353 0.397 25953 3537 1 9 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.311 -0.278 25953 3538 1 9 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.893 -2.036 25953 3539 1 9 . 1 1 582 582 TRP H H 582 8.841 8.841 8.667 0.174 25953 3540 1 9 . 1 1 583 583 VAL N N 583 115.147 115.147 119.494 -4.347 25953 3541 1 9 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.186 -0.070 25953 3542 1 9 . 1 1 583 583 VAL C C 583 175.063 175.063 174.125 0.938 25953 3543 1 9 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.388 -0.990 25953 3544 1 9 . 1 1 583 583 VAL CB C 583 36.769 36.769 37.134 -0.365 25953 3545 1 9 . 1 1 583 583 VAL H H 583 9.440 9.440 9.365 0.075 25953 3546 1 9 . 1 1 584 584 TRP N N 584 123.710 123.710 124.981 -1.271 25953 3547 1 9 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.192 0.058 25953 3548 1 9 . 1 1 584 584 TRP C C 584 176.436 176.436 174.807 1.629 25953 3549 1 9 . 1 1 584 584 TRP CA C 584 54.401 54.401 55.040 -0.639 25953 3550 1 9 . 1 1 584 584 TRP CB C 584 28.443 28.443 31.701 -3.258 25953 3551 1 9 . 1 1 584 584 TRP H H 584 9.295 9.295 9.219 0.076 25953 3552 1 9 . 1 1 585 585 LYS N N 585 122.031 122.031 125.467 -3.436 25953 3553 1 9 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.634 -0.071 25953 3554 1 9 . 1 1 585 585 LYS C C 585 178.886 178.886 177.382 1.504 25953 3555 1 9 . 1 1 585 585 LYS CA C 585 56.313 56.313 56.133 0.180 25953 3556 1 9 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.164 -0.731 25953 3557 1 9 . 1 1 585 585 LYS H H 585 8.689 8.689 8.826 -0.137 25953 3558 1 9 . 1 1 586 586 ASN N N 586 123.634 123.634 120.557 3.077 25953 3559 1 9 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.479 0.424 25953 3560 1 9 . 1 1 586 586 ASN C C 586 176.043 176.043 173.996 2.047 25953 3561 1 9 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.438 0.264 25953 3562 1 9 . 1 1 586 586 ASN CB C 586 37.052 37.052 36.623 0.429 25953 3563 1 9 . 1 1 586 586 ASN H H 586 8.830 8.830 8.983 -0.153 25953 3564 1 9 . 1 1 587 587 THR N N 587 114.536 114.536 114.915 -0.379 25953 3565 1 9 . 1 1 587 587 THR HA H 587 5.482 5.482 5.226 0.256 25953 3566 1 9 . 1 1 587 587 THR C C 587 171.882 171.882 173.734 -1.852 25953 3567 1 9 . 1 1 587 587 THR CA C 587 63.252 63.252 62.233 1.019 25953 3568 1 9 . 1 1 587 587 THR CB C 587 73.106 73.106 72.054 1.052 25953 3569 1 9 . 1 1 587 587 THR H H 587 8.179 8.179 7.764 0.415 25953 3570 1 9 . 1 1 588 588 ILE N N 588 120.751 120.751 122.049 -1.298 25953 3571 1 9 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.453 -0.022 25953 3572 1 9 . 1 1 588 588 ILE C C 588 171.550 171.550 172.951 -1.401 25953 3573 1 9 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.401 -0.441 25953 3574 1 9 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.702 1.651 25953 3575 1 9 . 1 1 588 588 ILE H H 588 8.984 8.984 8.914 0.070 25953 3576 1 9 . 1 1 589 589 GLU N N 589 125.535 125.535 127.974 -2.439 25953 3577 1 9 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.610 0.201 25953 3578 1 9 . 1 1 589 589 GLU C C 589 175.587 175.587 174.344 1.243 25953 3579 1 9 . 1 1 589 589 GLU CA C 589 54.161 54.161 53.929 0.232 25953 3580 1 9 . 1 1 589 589 GLU CB C 589 31.623 31.623 30.985 0.638 25953 3581 1 9 . 1 1 589 589 GLU H H 589 8.337 8.337 8.157 0.180 25953 3582 1 9 . 1 1 590 590 VAL N N 590 126.684 126.684 125.499 1.185 25953 3583 1 9 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.313 -0.326 25953 3584 1 9 . 1 1 590 590 VAL C C 590 176.078 176.078 175.210 0.868 25953 3585 1 9 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.108 0.466 25953 3586 1 9 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.797 -0.969 25953 3587 1 9 . 1 1 590 590 VAL H H 590 9.013 9.013 8.786 0.227 25953 3588 1 9 . 1 1 591 591 ASN N N 591 127.075 127.075 124.770 2.305 25953 3589 1 9 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.410 -0.107 25953 3590 1 9 . 1 1 591 591 ASN C C 591 175.223 175.223 176.000 -0.777 25953 3591 1 9 . 1 1 591 591 ASN CA C 591 54.048 54.048 53.723 0.325 25953 3592 1 9 . 1 1 591 591 ASN CB C 591 37.769 37.769 37.888 -0.119 25953 3593 1 9 . 1 1 591 591 ASN H H 591 9.347 9.347 9.278 0.069 25953 3594 1 9 . 1 1 592 592 GLY N N 592 104.628 104.628 101.448 3.180 25953 3595 1 9 . 1 1 592 592 GLY C C 592 172.842 172.842 174.028 -1.186 25953 3596 1 9 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.614 -0.333 25953 3597 1 9 . 1 1 592 592 GLY H H 592 8.990 8.990 8.597 0.393 25953 3598 1 9 . 1 1 593 593 LYS N N 593 120.387 120.387 119.590 0.797 25953 3599 1 9 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.553 -0.366 25953 3600 1 9 . 1 1 593 593 LYS C C 593 173.344 173.344 174.904 -1.560 25953 3601 1 9 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.590 -0.451 25953 3602 1 9 . 1 1 593 593 LYS CB C 593 34.946 34.946 35.403 -0.457 25953 3603 1 9 . 1 1 593 593 LYS H H 593 7.485 7.485 7.797 -0.312 25953 3604 1 9 . 1 1 594 594 TYR N N 594 119.730 119.730 119.161 0.569 25953 3605 1 9 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.760 0.071 25953 3606 1 9 . 1 1 594 594 TYR C C 594 173.851 173.851 175.384 -1.533 25953 3607 1 9 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.438 -0.509 25953 3608 1 9 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.223 -2.649 25953 3609 1 9 . 1 1 594 594 TYR H H 594 7.092 7.092 7.746 -0.654 25953 3610 1 9 . 1 1 595 595 PHE N N 595 116.435 116.435 117.072 -0.637 25953 3611 1 9 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.840 0.198 25953 3612 1 9 . 1 1 595 595 PHE C C 595 177.013 177.013 174.133 2.880 25953 3613 1 9 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.109 -1.581 25953 3614 1 9 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.431 0.967 25953 3615 1 9 . 1 1 595 595 PHE H H 595 8.459 8.459 8.985 -0.526 25953 3616 1 9 . 1 1 596 596 N N 596 118.187 118.187 10000.700 -9882.510 25953 3617 1 9 . 1 1 596 596 HA H 596 6.064 6.064 9999.660 -9993.600 25953 3618 1 9 . 1 1 596 596 CA C 596 58.668 58.668 9998.380 -9939.710 25953 3619 1 9 . 1 1 596 596 CB C 596 32.486 32.486 10001.000 -9968.510 25953 3620 1 9 . 1 1 596 596 H H 596 9.113 9.113 9999.850 -9990.740 25953 3621 1 9 . 1 1 597 597 SER N N 597 118.403 118.403 121.740 -3.337 25953 3622 1 9 . 1 1 597 597 SER HA H 597 4.798 4.798 4.202 0.596 25953 3623 1 9 . 1 1 597 597 SER C C 597 179.336 179.336 176.568 2.768 25953 3624 1 9 . 1 1 597 597 SER CA C 597 60.633 60.633 62.168 -1.535 25953 3625 1 9 . 1 1 597 597 SER CB C 597 62.965 62.965 63.444 -0.479 25953 3626 1 9 . 1 1 597 597 SER H H 597 8.110 8.110 9.097 -0.987 25953 3627 1 9 . 1 1 598 598 THR N N 598 111.927 111.927 115.401 -3.474 25953 3628 1 9 . 1 1 598 598 THR HA H 598 3.991 3.991 4.113 -0.122 25953 3629 1 9 . 1 1 598 598 THR C C 598 178.244 178.244 175.879 2.365 25953 3630 1 9 . 1 1 598 598 THR CA C 598 64.766 64.766 65.198 -0.432 25953 3631 1 9 . 1 1 598 598 THR CB C 598 67.467 67.467 68.423 -0.956 25953 3632 1 9 . 1 1 598 598 THR H H 598 9.120 9.120 8.512 0.608 25953 3633 1 9 . 1 1 599 599 N N 599 117.596 117.596 9999.420 -9881.820 25953 3634 1 9 . 1 1 599 599 HA H 599 4.055 4.055 9999.140 -9995.080 25953 3635 1 9 . 1 1 599 599 C C 599 177.266 177.266 10001.200 -9823.930 25953 3636 1 9 . 1 1 599 599 CA C 599 63.602 63.602 10001.900 -9938.300 25953 3637 1 9 . 1 1 599 599 CB C 599 30.014 30.014 9998.100 -9968.090 25953 3638 1 9 . 1 1 599 599 H H 599 6.935 6.935 9998.570 -9991.640 25953 3639 1 9 . 1 1 600 600 TYR N N 600 119.532 119.532 121.505 -1.973 25953 3640 1 9 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.972 -0.375 25953 3641 1 9 . 1 1 600 600 TYR C C 600 177.533 177.533 176.939 0.594 25953 3642 1 9 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.958 0.176 25953 3643 1 9 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.248 1.173 25953 3644 1 9 . 1 1 600 600 TYR H H 600 8.396 8.396 9.005 -0.609 25953 3645 1 9 . 1 1 601 601 N N 601 117.457 117.457 9999.340 -9881.880 25953 3646 1 9 . 1 1 601 601 HA H 601 4.126 4.126 9998.730 -9994.600 25953 3647 1 9 . 1 1 601 601 CA C 601 60.119 60.119 10002.700 -9942.580 25953 3648 1 9 . 1 1 601 601 CB C 601 29.903 29.903 9999.000 -9969.100 25953 3649 1 9 . 1 1 601 601 H H 601 8.417 8.417 9998.880 -9990.460 25953 3650 1 9 . 1 1 602 602 GLU N N 602 118.228 118.228 117.924 0.304 25953 3651 1 9 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.162 -0.081 25953 3652 1 9 . 1 1 602 602 GLU C C 602 177.912 177.912 177.664 0.248 25953 3653 1 9 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.678 -0.518 25953 3654 1 9 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.395 0.338 25953 3655 1 9 . 1 1 602 602 GLU H H 602 8.094 8.094 7.994 0.100 25953 3656 1 9 . 1 1 603 603 THR N N 603 111.252 111.252 113.863 -2.611 25953 3657 1 9 . 1 1 603 603 THR HA H 603 4.265 4.265 4.227 0.038 25953 3658 1 9 . 1 1 603 603 THR C C 603 175.279 175.279 174.140 1.139 25953 3659 1 9 . 1 1 603 603 THR CA C 603 63.116 63.116 62.996 0.120 25953 3660 1 9 . 1 1 603 603 THR CB C 603 69.801 69.801 69.493 0.308 25953 3661 1 9 . 1 1 603 603 THR H H 603 7.578 7.578 7.361 0.217 25953 3662 1 9 . 1 1 604 604 SER N N 604 117.291 117.291 113.954 3.337 25953 3663 1 9 . 1 1 604 604 SER HA H 604 4.221 4.221 4.075 0.146 25953 3664 1 9 . 1 1 604 604 SER C C 604 174.838 174.838 173.547 1.291 25953 3665 1 9 . 1 1 604 604 SER CA C 604 59.105 59.105 59.497 -0.392 25953 3666 1 9 . 1 1 604 604 SER CB C 604 63.387 63.387 62.125 1.262 25953 3667 1 9 . 1 1 604 604 SER H H 604 7.849 7.849 7.991 -0.142 25953 3668 1 9 . 1 1 605 605 GLN N N 605 120.747 120.747 117.041 3.706 25953 3669 1 9 . 1 1 605 605 GLN C C 605 175.801 175.801 174.893 0.908 25953 3670 1 9 . 1 1 605 605 GLN CA C 605 56.080 56.080 56.127 -0.047 25953 3671 1 9 . 1 1 605 605 GLN CB C 605 28.926 28.926 28.936 -0.010 25953 3672 1 9 . 1 1 605 605 GLN H H 605 7.971 7.971 7.856 0.115 25953 3673 1 10 . 1 1 535 535 SER HA H 535 4.465 4.465 4.449 0.016 25953 3674 1 10 . 1 1 535 535 SER C C 535 174.718 174.718 174.457 0.261 25953 3675 1 10 . 1 1 535 535 SER CA C 535 58.323 58.323 58.097 0.226 25953 3676 1 10 . 1 1 535 535 SER CB C 535 63.845 63.845 64.175 -0.330 25953 3677 1 10 . 1 1 536 536 GLU N N 536 122.899 122.899 124.187 -1.288 25953 3678 1 10 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.244 -0.043 25953 3679 1 10 . 1 1 536 536 GLU C C 536 176.241 176.241 176.562 -0.321 25953 3680 1 10 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.190 0.887 25953 3681 1 10 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.147 -0.315 25953 3682 1 10 . 1 1 536 536 GLU H H 536 8.638 8.638 8.413 0.225 25953 3683 1 10 . 1 1 537 537 PHE N N 537 120.390 120.390 120.876 -0.486 25953 3684 1 10 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.853 -0.212 25953 3685 1 10 . 1 1 537 537 PHE C C 537 176.005 176.005 175.502 0.503 25953 3686 1 10 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.483 0.320 25953 3687 1 10 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.737 -0.287 25953 3688 1 10 . 1 1 537 537 PHE H H 537 8.266 8.266 8.057 0.209 25953 3689 1 10 . 1 1 538 538 SER N N 538 117.148 117.148 116.922 0.226 25953 3690 1 10 . 1 1 538 538 SER HA H 538 4.399 4.399 4.529 -0.130 25953 3691 1 10 . 1 1 538 538 SER C C 538 174.167 174.167 174.762 -0.595 25953 3692 1 10 . 1 1 538 538 SER CA C 538 58.437 58.437 57.653 0.784 25953 3693 1 10 . 1 1 538 538 SER CB C 538 63.956 63.956 64.073 -0.117 25953 3694 1 10 . 1 1 538 538 SER H H 538 8.194 8.194 8.338 -0.144 25953 3695 1 10 . 1 1 539 539 ASP N N 539 122.404 122.404 123.398 -0.994 25953 3696 1 10 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.772 -0.186 25953 3697 1 10 . 1 1 539 539 ASP C C 539 176.496 176.496 175.472 1.024 25953 3698 1 10 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.211 0.260 25953 3699 1 10 . 1 1 539 539 ASP CB C 539 41.021 41.021 39.700 1.321 25953 3700 1 10 . 1 1 539 539 ASP H H 539 8.333 8.333 8.572 -0.239 25953 3701 1 10 . 1 1 540 540 ARG N N 540 121.337 121.337 122.232 -0.895 25953 3702 1 10 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.292 0.071 25953 3703 1 10 . 1 1 540 540 ARG C C 540 176.889 176.889 175.786 1.103 25953 3704 1 10 . 1 1 540 540 ARG CA C 540 56.406 56.406 56.793 -0.387 25953 3705 1 10 . 1 1 540 540 ARG CB C 540 30.365 30.365 31.134 -0.769 25953 3706 1 10 . 1 1 540 540 ARG H H 540 8.293 8.293 7.859 0.434 25953 3707 1 10 . 1 1 541 541 SER N N 541 116.606 116.606 118.183 -1.577 25953 3708 1 10 . 1 1 541 541 SER HA H 541 4.319 4.319 4.681 -0.362 25953 3709 1 10 . 1 1 541 541 SER C C 541 175.060 175.060 175.004 0.056 25953 3710 1 10 . 1 1 541 541 SER CA C 541 59.655 59.655 56.438 3.216 25953 3711 1 10 . 1 1 541 541 SER CB C 541 63.417 63.417 64.589 -1.172 25953 3712 1 10 . 1 1 541 541 SER H H 541 8.369 8.369 8.305 0.064 25953 3713 1 10 . 1 1 542 542 ASN N N 542 120.759 120.759 124.458 -3.699 25953 3714 1 10 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.516 0.184 25953 3715 1 10 . 1 1 542 542 ASN C C 542 175.903 175.903 176.926 -1.023 25953 3716 1 10 . 1 1 542 542 ASN CA C 542 53.788 53.788 55.224 -1.436 25953 3717 1 10 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.504 0.224 25953 3718 1 10 . 1 1 542 542 ASN H H 542 8.451 8.451 8.981 -0.530 25953 3719 1 10 . 1 1 543 543 GLU N N 543 120.886 120.886 120.662 0.224 25953 3720 1 10 . 1 1 543 543 GLU HA H 543 3.991 3.991 3.943 0.048 25953 3721 1 10 . 1 1 543 543 GLU C C 543 177.658 177.658 178.191 -0.533 25953 3722 1 10 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.084 -0.294 25953 3723 1 10 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.381 0.372 25953 3724 1 10 . 1 1 543 543 GLU H H 543 8.257 8.257 7.671 0.586 25953 3725 1 10 . 1 1 544 544 LEU N N 544 119.978 119.978 117.552 2.426 25953 3726 1 10 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.132 -0.045 25953 3727 1 10 . 1 1 544 544 LEU C C 544 179.340 179.340 178.587 0.753 25953 3728 1 10 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.934 0.264 25953 3729 1 10 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.673 -0.062 25953 3730 1 10 . 1 1 544 544 LEU H H 544 8.104 8.104 7.510 0.594 25953 3731 1 10 . 1 1 545 545 GLU N N 545 120.432 120.432 120.007 0.425 25953 3732 1 10 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.107 -0.047 25953 3733 1 10 . 1 1 545 545 GLU C C 545 178.371 178.371 179.354 -0.983 25953 3734 1 10 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.001 -0.758 25953 3735 1 10 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.802 -0.237 25953 3736 1 10 . 1 1 545 545 GLU H H 545 7.995 7.995 7.262 0.733 25953 3737 1 10 . 1 1 546 546 ILE N N 546 119.751 119.751 120.313 -0.562 25953 3738 1 10 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.765 -0.141 25953 3739 1 10 . 1 1 546 546 ILE C C 546 178.857 178.857 178.148 0.709 25953 3740 1 10 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.607 0.232 25953 3741 1 10 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.621 1.033 25953 3742 1 10 . 1 1 546 546 ILE H H 546 7.828 7.828 8.013 -0.185 25953 3743 1 10 . 1 1 547 547 ARG N N 547 120.304 120.304 119.234 1.070 25953 3744 1 10 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.148 0.209 25953 3745 1 10 . 1 1 547 547 ARG C C 547 176.842 176.842 178.370 -1.528 25953 3746 1 10 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.907 -1.032 25953 3747 1 10 . 1 1 547 547 ARG CB C 547 30.460 30.460 29.889 0.571 25953 3748 1 10 . 1 1 547 547 ARG H H 547 8.313 8.313 7.666 0.647 25953 3749 1 10 . 1 1 548 548 GLY N N 548 104.777 104.777 106.006 -1.229 25953 3750 1 10 . 1 1 548 548 GLY C C 548 175.105 175.105 174.781 0.324 25953 3751 1 10 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.931 0.529 25953 3752 1 10 . 1 1 548 548 GLY H H 548 7.823 7.823 7.524 0.299 25953 3753 1 10 . 1 1 549 549 LYS N N 549 122.134 122.134 122.577 -0.443 25953 3754 1 10 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.347 0.030 25953 3755 1 10 . 1 1 549 549 LYS C C 549 175.156 175.156 175.264 -0.108 25953 3756 1 10 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.272 1.101 25953 3757 1 10 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.189 -1.042 25953 3758 1 10 . 1 1 549 549 LYS H H 549 7.257 7.257 7.532 -0.275 25953 3759 1 10 . 1 1 550 550 TYR N N 550 117.482 117.482 118.886 -1.404 25953 3760 1 10 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.769 -0.011 25953 3761 1 10 . 1 1 550 550 TYR C C 550 174.650 174.650 174.003 0.647 25953 3762 1 10 . 1 1 550 550 TYR CA C 550 56.030 56.030 54.812 1.218 25953 3763 1 10 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.620 0.607 25953 3764 1 10 . 1 1 550 550 TYR H H 550 8.108 8.108 8.169 -0.061 25953 3765 1 10 . 1 1 551 551 VAL N N 551 117.964 117.964 113.783 4.181 25953 3766 1 10 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.435 0.024 25953 3767 1 10 . 1 1 551 551 VAL C C 551 174.974 174.974 174.375 0.599 25953 3768 1 10 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.522 -1.484 25953 3769 1 10 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.695 1.098 25953 3770 1 10 . 1 1 551 551 VAL H H 551 8.549 8.549 8.188 0.361 25953 3771 1 10 . 1 1 552 552 VAL N N 552 126.679 126.679 125.188 1.491 25953 3772 1 10 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.286 -0.127 25953 3773 1 10 . 1 1 552 552 VAL C C 552 175.545 175.545 175.123 0.422 25953 3774 1 10 . 1 1 552 552 VAL CA C 552 63.152 63.152 61.937 1.215 25953 3775 1 10 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.605 -0.646 25953 3776 1 10 . 1 1 552 552 VAL H H 552 8.642 8.642 8.353 0.289 25953 3777 1 10 . 1 1 553 553 VAL N N 553 129.744 129.744 128.679 1.065 25953 3778 1 10 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.333 -1.874 25953 3779 1 10 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.511 2.657 25953 3780 1 10 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.923 -2.539 25953 3781 1 10 . 1 1 553 553 VAL H H 553 8.341 8.341 8.338 0.003 25953 3782 1 10 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.742 -0.354 25953 3783 1 10 . 1 1 554 554 PRO C C 554 178.374 178.374 177.470 0.904 25953 3784 1 10 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.093 0.483 25953 3785 1 10 . 1 1 554 554 PRO CB C 554 32.755 32.755 33.042 -0.287 25953 3786 1 10 . 1 1 555 555 GLU N N 555 122.440 122.440 121.977 0.463 25953 3787 1 10 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.833 0.221 25953 3788 1 10 . 1 1 555 555 GLU C C 555 176.757 176.757 178.466 -1.709 25953 3789 1 10 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.554 -1.053 25953 3790 1 10 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.267 0.146 25953 3791 1 10 . 1 1 555 555 GLU H H 555 8.904 8.904 8.975 -0.071 25953 3792 1 10 . 1 1 556 556 THR N N 556 104.703 104.703 116.772 -12.069 25953 3793 1 10 . 1 1 556 556 THR HA H 556 4.152 4.152 4.064 0.088 25953 3794 1 10 . 1 1 556 556 THR C C 556 175.161 175.161 175.620 -0.459 25953 3795 1 10 . 1 1 556 556 THR CA C 556 61.379 61.379 64.555 -3.176 25953 3796 1 10 . 1 1 556 556 THR CB C 556 68.976 68.976 68.551 0.425 25953 3797 1 10 . 1 1 556 556 THR H H 556 7.160 7.160 8.330 -1.170 25953 3798 1 10 . 1 1 557 557 SER N N 557 116.705 116.705 116.295 0.410 25953 3799 1 10 . 1 1 557 557 SER HA H 557 4.529 4.529 4.196 0.333 25953 3800 1 10 . 1 1 557 557 SER C C 557 175.325 175.325 175.514 -0.189 25953 3801 1 10 . 1 1 557 557 SER CA C 557 58.036 58.036 60.461 -2.425 25953 3802 1 10 . 1 1 557 557 SER CB C 557 63.214 63.214 63.299 -0.085 25953 3803 1 10 . 1 1 557 557 SER H H 557 7.405 7.405 7.642 -0.237 25953 3804 1 10 . 1 1 558 558 GLN N N 558 127.356 127.356 119.823 7.533 25953 3805 1 10 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.947 0.222 25953 3806 1 10 . 1 1 558 558 GLN C C 558 176.491 176.491 175.316 1.175 25953 3807 1 10 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.447 -0.853 25953 3808 1 10 . 1 1 558 558 GLN CB C 558 28.773 28.773 27.572 1.201 25953 3809 1 10 . 1 1 558 558 GLN H H 558 8.915 8.915 8.117 0.798 25953 3810 1 10 . 1 1 559 559 ASP N N 559 116.840 116.840 118.225 -1.385 25953 3811 1 10 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.836 -0.351 25953 3812 1 10 . 1 1 559 559 ASP C C 559 175.554 175.554 175.294 0.260 25953 3813 1 10 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.535 -0.332 25953 3814 1 10 . 1 1 559 559 ASP CB C 559 40.526 40.526 42.047 -1.521 25953 3815 1 10 . 1 1 559 559 ASP H H 559 8.275 8.275 7.984 0.291 25953 3816 1 10 . 1 1 560 560 MET N N 560 112.866 112.866 115.850 -2.984 25953 3817 1 10 . 1 1 560 560 MET HA H 560 3.899 3.899 3.592 0.307 25953 3818 1 10 . 1 1 560 560 MET C C 560 175.044 175.044 174.298 0.746 25953 3819 1 10 . 1 1 560 560 MET CA C 560 56.400 56.400 56.253 0.147 25953 3820 1 10 . 1 1 560 560 MET CB C 560 30.933 30.933 29.648 1.285 25953 3821 1 10 . 1 1 560 560 MET H H 560 7.935 7.935 7.601 0.334 25953 3822 1 10 . 1 1 561 561 ALA N N 561 122.207 122.207 119.882 2.325 25953 3823 1 10 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.940 -0.029 25953 3824 1 10 . 1 1 561 561 ALA C C 561 176.577 176.577 175.789 0.788 25953 3825 1 10 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.499 -0.522 25953 3826 1 10 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.294 0.993 25953 3827 1 10 . 1 1 561 561 ALA H H 561 7.910 7.910 7.767 0.143 25953 3828 1 10 . 1 1 562 562 PHE N N 562 117.027 117.027 122.726 -5.699 25953 3829 1 10 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.792 -0.156 25953 3830 1 10 . 1 1 562 562 PHE C C 562 170.988 170.988 173.037 -2.049 25953 3831 1 10 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.461 -0.231 25953 3832 1 10 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.287 -2.241 25953 3833 1 10 . 1 1 562 562 PHE H H 562 8.075 8.075 8.606 -0.531 25953 3834 1 10 . 1 1 563 563 LYS N N 563 120.420 120.420 125.064 -4.644 25953 3835 1 10 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.562 -0.062 25953 3836 1 10 . 1 1 563 563 LYS C C 563 176.093 176.093 175.730 0.363 25953 3837 1 10 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.364 -0.562 25953 3838 1 10 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.550 1.129 25953 3839 1 10 . 1 1 563 563 LYS H H 563 8.392 8.392 7.020 1.372 25953 3840 1 10 . 1 1 564 564 N N 564 132.535 132.535 10008.600 -9876.060 25953 3841 1 10 . 1 1 564 564 HA H 564 4.639 4.639 9998.980 -9994.340 25953 3842 1 10 . 1 1 564 564 C C 564 175.820 175.820 9997.670 -9821.850 25953 3843 1 10 . 1 1 564 564 CA C 564 57.545 57.545 9997.090 -9939.540 25953 3844 1 10 . 1 1 564 564 CB C 564 30.650 30.650 9998.010 -9967.360 25953 3845 1 10 . 1 1 564 564 H H 564 8.456 8.456 9999.410 -9990.950 25953 3846 1 10 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.310 0.070 25953 3847 1 10 . 1 1 565 565 PRO C C 565 177.300 177.300 176.599 0.701 25953 3848 1 10 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.599 -0.206 25953 3849 1 10 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.929 1.076 25953 3850 1 10 . 1 1 566 566 ILE N N 566 118.529 118.529 117.035 1.494 25953 3851 1 10 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.993 0.138 25953 3852 1 10 . 1 1 566 566 ILE C C 566 176.361 176.361 177.636 -1.275 25953 3853 1 10 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.170 0.529 25953 3854 1 10 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.547 0.250 25953 3855 1 10 . 1 1 566 566 ILE H H 566 8.528 8.528 7.934 0.594 25953 3856 1 10 . 1 1 567 567 N N 567 116.646 116.646 9994.120 -9877.470 25953 3857 1 10 . 1 1 567 567 HA H 567 4.932 4.932 9999.430 -9994.500 25953 3858 1 10 . 1 1 567 567 C C 567 176.175 176.175 9999.120 -9822.950 25953 3859 1 10 . 1 1 567 567 CA C 567 58.801 58.801 9997.120 -9938.320 25953 3860 1 10 . 1 1 567 567 CB C 567 31.243 31.243 10000.600 -9969.360 25953 3861 1 10 . 1 1 567 567 H H 567 7.770 7.770 9998.670 -9990.900 25953 3862 1 10 . 1 1 568 568 LYS N N 568 116.867 116.867 119.419 -2.552 25953 3863 1 10 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.016 -0.001 25953 3864 1 10 . 1 1 568 568 LYS C C 568 175.290 175.290 175.239 0.051 25953 3865 1 10 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.412 0.462 25953 3866 1 10 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.569 -0.934 25953 3867 1 10 . 1 1 568 568 LYS H H 568 8.038 8.038 8.324 -0.286 25953 3868 1 10 . 1 1 569 569 GLU N N 569 120.683 120.683 118.420 2.263 25953 3869 1 10 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.609 -0.137 25953 3870 1 10 . 1 1 569 569 GLU C C 569 175.851 175.851 175.789 0.062 25953 3871 1 10 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.691 1.510 25953 3872 1 10 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.563 -1.220 25953 3873 1 10 . 1 1 569 569 GLU H H 569 8.380 8.380 7.644 0.736 25953 3874 1 10 . 1 1 570 570 THR N N 570 118.082 118.082 118.253 -0.171 25953 3875 1 10 . 1 1 570 570 THR HA H 570 4.378 4.378 4.887 -0.509 25953 3876 1 10 . 1 1 570 570 THR C C 570 174.070 174.070 174.860 -0.790 25953 3877 1 10 . 1 1 570 570 THR CA C 570 63.174 63.174 63.183 -0.009 25953 3878 1 10 . 1 1 570 570 THR CB C 570 69.853 69.853 69.626 0.227 25953 3879 1 10 . 1 1 570 570 THR H H 570 8.565 8.565 8.555 0.010 25953 3880 1 10 . 1 1 571 571 VAL N N 571 132.533 132.533 127.296 5.237 25953 3881 1 10 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.668 -0.797 25953 3882 1 10 . 1 1 571 571 VAL C C 571 174.198 174.198 174.002 0.196 25953 3883 1 10 . 1 1 571 571 VAL CA C 571 62.070 62.070 59.974 2.096 25953 3884 1 10 . 1 1 571 571 VAL CB C 571 31.930 31.930 35.309 -3.378 25953 3885 1 10 . 1 1 571 571 VAL H H 571 8.740 8.740 9.023 -0.283 25953 3886 1 10 . 1 1 572 572 THR N N 572 116.229 116.229 120.746 -4.517 25953 3887 1 10 . 1 1 572 572 THR HA H 572 5.243 5.243 5.515 -0.272 25953 3888 1 10 . 1 1 572 572 THR C C 572 175.803 175.803 174.602 1.201 25953 3889 1 10 . 1 1 572 572 THR CA C 572 60.095 60.095 59.480 0.615 25953 3890 1 10 . 1 1 572 572 THR CB C 572 70.889 70.889 72.033 -1.144 25953 3891 1 10 . 1 1 572 572 THR H H 572 8.089 8.089 8.264 -0.175 25953 3892 1 10 . 1 1 573 573 GLY N N 573 110.544 110.544 111.868 -1.324 25953 3893 1 10 . 1 1 573 573 GLY C C 573 172.769 172.769 174.187 -1.418 25953 3894 1 10 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.960 1.474 25953 3895 1 10 . 1 1 573 573 GLY H H 573 8.871 8.871 8.353 0.518 25953 3896 1 10 . 1 1 574 574 VAL N N 574 120.833 120.833 118.162 2.671 25953 3897 1 10 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.676 0.151 25953 3898 1 10 . 1 1 574 574 VAL C C 574 173.472 173.472 173.845 -0.373 25953 3899 1 10 . 1 1 574 574 VAL CA C 574 60.001 60.001 60.222 -0.221 25953 3900 1 10 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.558 0.081 25953 3901 1 10 . 1 1 574 574 VAL H H 574 9.473 9.473 8.693 0.780 25953 3902 1 10 . 1 1 575 575 TYR N N 575 126.796 126.796 124.296 2.500 25953 3903 1 10 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.930 -1.369 25953 3904 1 10 . 1 1 575 575 TYR C C 575 174.622 174.622 175.268 -0.646 25953 3905 1 10 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.490 -0.258 25953 3906 1 10 . 1 1 575 575 TYR CB C 575 37.264 37.264 39.472 -2.208 25953 3907 1 10 . 1 1 575 575 TYR H H 575 8.410 8.410 8.735 -0.325 25953 3908 1 10 . 1 1 576 576 ASP N N 576 130.548 130.548 126.962 3.586 25953 3909 1 10 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.605 -0.175 25953 3910 1 10 . 1 1 576 576 ASP C C 576 174.399 174.399 175.543 -1.144 25953 3911 1 10 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.727 -0.218 25953 3912 1 10 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.660 -0.648 25953 3913 1 10 . 1 1 576 576 ASP H H 576 8.228 8.228 8.288 -0.060 25953 3914 1 10 . 1 1 577 577 GLU N N 577 125.178 125.178 125.015 0.163 25953 3915 1 10 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.192 -0.613 25953 3916 1 10 . 1 1 577 577 GLU C C 577 178.103 178.103 177.254 0.849 25953 3917 1 10 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.227 1.480 25953 3918 1 10 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.145 0.365 25953 3919 1 10 . 1 1 577 577 GLU H H 577 8.480 8.480 8.689 -0.209 25953 3920 1 10 . 1 1 578 578 GLU N N 578 117.933 117.933 119.855 -1.922 25953 3921 1 10 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.236 -0.267 25953 3922 1 10 . 1 1 578 578 GLU C C 578 177.632 177.632 177.939 -0.307 25953 3923 1 10 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.839 1.200 25953 3924 1 10 . 1 1 578 578 GLU CB C 578 29.386 29.386 30.015 -0.629 25953 3925 1 10 . 1 1 578 578 GLU H H 578 8.126 8.126 8.314 -0.188 25953 3926 1 10 . 1 1 579 579 SER N N 579 111.483 111.483 112.561 -1.078 25953 3927 1 10 . 1 1 579 579 SER HA H 579 4.343 4.343 4.495 -0.152 25953 3928 1 10 . 1 1 579 579 SER C C 579 176.070 176.070 174.399 1.671 25953 3929 1 10 . 1 1 579 579 SER CA C 579 58.557 58.557 58.272 0.285 25953 3930 1 10 . 1 1 579 579 SER CB C 579 64.809 64.809 64.487 0.322 25953 3931 1 10 . 1 1 579 579 SER H H 579 7.510 7.510 8.295 -0.785 25953 3932 1 10 . 1 1 580 580 GLY N N 580 113.307 113.307 109.507 3.800 25953 3933 1 10 . 1 1 580 580 GLY C C 580 173.600 173.600 173.599 0.001 25953 3934 1 10 . 1 1 580 580 GLY CA C 580 46.106 46.106 44.734 1.372 25953 3935 1 10 . 1 1 580 580 GLY H H 580 8.196 8.196 7.844 0.352 25953 3936 1 10 . 1 1 581 581 GLU N N 581 116.623 116.623 118.055 -1.432 25953 3937 1 10 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.432 0.273 25953 3938 1 10 . 1 1 581 581 GLU C C 581 174.750 174.750 174.560 0.190 25953 3939 1 10 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.523 0.346 25953 3940 1 10 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.614 -0.004 25953 3941 1 10 . 1 1 581 581 GLU H H 581 6.994 6.994 7.918 -0.924 25953 3942 1 10 . 1 1 582 582 TRP N N 582 122.364 122.364 118.171 4.193 25953 3943 1 10 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.069 -0.268 25953 3944 1 10 . 1 1 582 582 TRP C C 582 176.750 176.750 176.065 0.685 25953 3945 1 10 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.601 0.432 25953 3946 1 10 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.039 -2.182 25953 3947 1 10 . 1 1 582 582 TRP H H 582 8.841 8.841 8.340 0.501 25953 3948 1 10 . 1 1 583 583 VAL N N 583 115.147 115.147 119.589 -4.442 25953 3949 1 10 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.909 0.207 25953 3950 1 10 . 1 1 583 583 VAL C C 583 175.063 175.063 174.075 0.988 25953 3951 1 10 . 1 1 583 583 VAL CA C 583 59.398 59.398 59.676 -0.278 25953 3952 1 10 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.673 0.096 25953 3953 1 10 . 1 1 583 583 VAL H H 583 9.440 9.440 9.291 0.149 25953 3954 1 10 . 1 1 584 584 TRP N N 584 123.710 123.710 125.609 -1.899 25953 3955 1 10 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.093 0.157 25953 3956 1 10 . 1 1 584 584 TRP C C 584 176.436 176.436 174.665 1.771 25953 3957 1 10 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.984 -0.583 25953 3958 1 10 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.800 -2.357 25953 3959 1 10 . 1 1 584 584 TRP H H 584 9.295 9.295 9.068 0.227 25953 3960 1 10 . 1 1 585 585 LYS N N 585 122.031 122.031 122.181 -0.150 25953 3961 1 10 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.842 -0.279 25953 3962 1 10 . 1 1 585 585 LYS C C 585 178.886 178.886 176.257 2.629 25953 3963 1 10 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.245 2.067 25953 3964 1 10 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.276 -0.844 25953 3965 1 10 . 1 1 585 585 LYS H H 585 8.689 8.689 8.447 0.242 25953 3966 1 10 . 1 1 586 586 ASN N N 586 123.634 123.634 120.150 3.484 25953 3967 1 10 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.400 0.503 25953 3968 1 10 . 1 1 586 586 ASN C C 586 176.043 176.043 174.101 1.942 25953 3969 1 10 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.222 0.480 25953 3970 1 10 . 1 1 586 586 ASN CB C 586 37.052 37.052 38.252 -1.200 25953 3971 1 10 . 1 1 586 586 ASN H H 586 8.830 8.830 8.829 0.001 25953 3972 1 10 . 1 1 587 587 THR N N 587 114.536 114.536 114.137 0.399 25953 3973 1 10 . 1 1 587 587 THR HA H 587 5.482 5.482 5.154 0.328 25953 3974 1 10 . 1 1 587 587 THR C C 587 171.882 171.882 173.238 -1.356 25953 3975 1 10 . 1 1 587 587 THR CA C 587 63.252 63.252 61.703 1.549 25953 3976 1 10 . 1 1 587 587 THR CB C 587 73.106 73.106 72.279 0.827 25953 3977 1 10 . 1 1 587 587 THR H H 587 8.179 8.179 8.030 0.149 25953 3978 1 10 . 1 1 588 588 ILE N N 588 120.751 120.751 120.764 -0.013 25953 3979 1 10 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.472 -0.041 25953 3980 1 10 . 1 1 588 588 ILE C C 588 171.550 171.550 172.804 -1.254 25953 3981 1 10 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.909 -0.949 25953 3982 1 10 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.623 1.729 25953 3983 1 10 . 1 1 588 588 ILE H H 588 8.984 8.984 9.085 -0.101 25953 3984 1 10 . 1 1 589 589 GLU N N 589 125.535 125.535 128.738 -3.203 25953 3985 1 10 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.640 0.171 25953 3986 1 10 . 1 1 589 589 GLU C C 589 175.587 175.587 174.630 0.957 25953 3987 1 10 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.346 -0.185 25953 3988 1 10 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.489 0.133 25953 3989 1 10 . 1 1 589 589 GLU H H 589 8.337 8.337 8.308 0.029 25953 3990 1 10 . 1 1 590 590 VAL N N 590 126.684 126.684 127.036 -0.352 25953 3991 1 10 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.293 -0.306 25953 3992 1 10 . 1 1 590 590 VAL C C 590 176.078 176.078 175.635 0.443 25953 3993 1 10 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.878 0.696 25953 3994 1 10 . 1 1 590 590 VAL CB C 590 33.828 33.828 33.284 0.544 25953 3995 1 10 . 1 1 590 590 VAL H H 590 9.013 9.013 8.973 0.040 25953 3996 1 10 . 1 1 591 591 ASN N N 591 127.075 127.075 126.655 0.420 25953 3997 1 10 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.287 0.016 25953 3998 1 10 . 1 1 591 591 ASN C C 591 175.223 175.223 175.131 0.092 25953 3999 1 10 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.572 -0.523 25953 4000 1 10 . 1 1 591 591 ASN CB C 591 37.769 37.769 37.393 0.376 25953 4001 1 10 . 1 1 591 591 ASN H H 591 9.347 9.347 9.240 0.107 25953 4002 1 10 . 1 1 592 592 GLY N N 592 104.628 104.628 103.823 0.805 25953 4003 1 10 . 1 1 592 592 GLY C C 592 172.842 172.842 173.800 -0.958 25953 4004 1 10 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.617 0.664 25953 4005 1 10 . 1 1 592 592 GLY H H 592 8.990 8.990 7.970 1.020 25953 4006 1 10 . 1 1 593 593 LYS N N 593 120.387 120.387 121.722 -1.335 25953 4007 1 10 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.669 -0.482 25953 4008 1 10 . 1 1 593 593 LYS C C 593 173.344 173.344 174.968 -1.624 25953 4009 1 10 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.233 -1.094 25953 4010 1 10 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.682 0.264 25953 4011 1 10 . 1 1 593 593 LYS H H 593 7.485 7.485 8.021 -0.536 25953 4012 1 10 . 1 1 594 594 TYR N N 594 119.730 119.730 121.055 -1.325 25953 4013 1 10 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.695 0.136 25953 4014 1 10 . 1 1 594 594 TYR C C 594 173.851 173.851 175.645 -1.794 25953 4015 1 10 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.986 -1.058 25953 4016 1 10 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.540 -2.966 25953 4017 1 10 . 1 1 594 594 TYR H H 594 7.092 7.092 8.313 -1.221 25953 4018 1 10 . 1 1 595 595 PHE N N 595 116.435 116.435 118.524 -2.089 25953 4019 1 10 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.853 0.185 25953 4020 1 10 . 1 1 595 595 PHE C C 595 177.013 177.013 174.127 2.886 25953 4021 1 10 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.071 -1.543 25953 4022 1 10 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.407 0.991 25953 4023 1 10 . 1 1 595 595 PHE H H 595 8.459 8.459 8.829 -0.370 25953 4024 1 10 . 1 1 596 596 N N 596 118.187 118.187 10000.800 -9882.610 25953 4025 1 10 . 1 1 596 596 HA H 596 6.064 6.064 9999.630 -9993.570 25953 4026 1 10 . 1 1 596 596 CA C 596 58.668 58.668 9998.340 -9939.670 25953 4027 1 10 . 1 1 596 596 CB C 596 32.486 32.486 10001.000 -9968.510 25953 4028 1 10 . 1 1 596 596 H H 596 9.113 9.113 9999.870 -9990.760 25953 4029 1 10 . 1 1 597 597 SER N N 597 118.403 118.403 121.054 -2.651 25953 4030 1 10 . 1 1 597 597 SER HA H 597 4.798 4.798 4.233 0.565 25953 4031 1 10 . 1 1 597 597 SER C C 597 179.336 179.336 176.626 2.710 25953 4032 1 10 . 1 1 597 597 SER CA C 597 60.633 60.633 62.240 -1.607 25953 4033 1 10 . 1 1 597 597 SER CB C 597 62.965 62.965 63.382 -0.416 25953 4034 1 10 . 1 1 597 597 SER H H 597 8.110 8.110 8.981 -0.871 25953 4035 1 10 . 1 1 598 598 THR N N 598 111.927 111.927 115.917 -3.990 25953 4036 1 10 . 1 1 598 598 THR HA H 598 3.991 3.991 4.104 -0.113 25953 4037 1 10 . 1 1 598 598 THR C C 598 178.244 178.244 176.197 2.047 25953 4038 1 10 . 1 1 598 598 THR CA C 598 64.766 64.766 65.415 -0.649 25953 4039 1 10 . 1 1 598 598 THR CB C 598 67.467 67.467 68.166 -0.699 25953 4040 1 10 . 1 1 598 598 THR H H 598 9.120 9.120 8.552 0.568 25953 4041 1 10 . 1 1 599 599 N N 599 117.596 117.596 10000.700 -9883.100 25953 4042 1 10 . 1 1 599 599 HA H 599 4.055 4.055 9998.920 -9994.870 25953 4043 1 10 . 1 1 599 599 C C 599 177.266 177.266 10000.800 -9823.530 25953 4044 1 10 . 1 1 599 599 CA C 599 63.602 63.602 10002.900 -9939.300 25953 4045 1 10 . 1 1 599 599 CB C 599 30.014 30.014 9997.400 -9967.390 25953 4046 1 10 . 1 1 599 599 H H 599 6.935 6.935 9998.840 -9991.910 25953 4047 1 10 . 1 1 600 600 TYR N N 600 119.532 119.532 120.537 -1.005 25953 4048 1 10 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.948 -0.351 25953 4049 1 10 . 1 1 600 600 TYR C C 600 177.533 177.533 177.368 0.165 25953 4050 1 10 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.878 0.256 25953 4051 1 10 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.372 1.049 25953 4052 1 10 . 1 1 600 600 TYR H H 600 8.396 8.396 8.706 -0.310 25953 4053 1 10 . 1 1 601 601 N N 601 117.457 117.457 9997.750 -9880.290 25953 4054 1 10 . 1 1 601 601 HA H 601 4.126 4.126 9998.680 -9994.550 25953 4055 1 10 . 1 1 601 601 CA C 601 60.119 60.119 10002.900 -9942.780 25953 4056 1 10 . 1 1 601 601 CB C 601 29.903 29.903 9999.210 -9969.310 25953 4057 1 10 . 1 1 601 601 H H 601 8.417 8.417 9999.170 -9990.750 25953 4058 1 10 . 1 1 602 602 GLU N N 602 118.228 118.228 118.193 0.035 25953 4059 1 10 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.239 -0.158 25953 4060 1 10 . 1 1 602 602 GLU C C 602 177.912 177.912 177.724 0.188 25953 4061 1 10 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.315 -0.155 25953 4062 1 10 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.986 -0.253 25953 4063 1 10 . 1 1 602 602 GLU H H 602 8.094 8.094 8.196 -0.102 25953 4064 1 10 . 1 1 603 603 THR N N 603 111.252 111.252 115.255 -4.003 25953 4065 1 10 . 1 1 603 603 THR HA H 603 4.265 4.265 4.151 0.114 25953 4066 1 10 . 1 1 603 603 THR C C 603 175.279 175.279 174.301 0.978 25953 4067 1 10 . 1 1 603 603 THR CA C 603 63.116 63.116 62.836 0.280 25953 4068 1 10 . 1 1 603 603 THR CB C 603 69.801 69.801 68.843 0.958 25953 4069 1 10 . 1 1 603 603 THR H H 603 7.578 7.578 7.832 -0.254 25953 4070 1 10 . 1 1 604 604 SER N N 604 117.291 117.291 116.867 0.424 25953 4071 1 10 . 1 1 604 604 SER HA H 604 4.221 4.221 3.735 0.486 25953 4072 1 10 . 1 1 604 604 SER C C 604 174.838 174.838 175.004 -0.166 25953 4073 1 10 . 1 1 604 604 SER CA C 604 59.105 59.105 58.199 0.906 25953 4074 1 10 . 1 1 604 604 SER CB C 604 63.387 63.387 63.385 0.002 25953 4075 1 10 . 1 1 604 604 SER H H 604 7.849 7.849 7.403 0.446 25953 4076 1 10 . 1 1 605 605 GLN N N 605 120.747 120.747 125.944 -5.197 25953 4077 1 10 . 1 1 605 605 GLN C C 605 175.801 175.801 176.179 -0.378 25953 4078 1 10 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.592 0.488 25953 4079 1 10 . 1 1 605 605 GLN CB C 605 28.926 28.926 29.000 -0.074 25953 4080 1 10 . 1 1 605 605 GLN H H 605 7.971 7.971 8.510 -0.539 25953 4081 1 11 . 1 1 535 535 SER HA H 535 4.465 4.465 4.408 0.057 25953 4082 1 11 . 1 1 535 535 SER C C 535 174.718 174.718 173.109 1.609 25953 4083 1 11 . 1 1 535 535 SER CA C 535 58.323 58.323 57.496 0.827 25953 4084 1 11 . 1 1 535 535 SER CB C 535 63.845 63.845 65.394 -1.549 25953 4085 1 11 . 1 1 536 536 GLU N N 536 122.899 122.899 121.448 1.451 25953 4086 1 11 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.534 -0.333 25953 4087 1 11 . 1 1 536 536 GLU C C 536 176.241 176.241 175.109 1.132 25953 4088 1 11 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.150 0.927 25953 4089 1 11 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.212 -0.380 25953 4090 1 11 . 1 1 536 536 GLU H H 536 8.638 8.638 8.160 0.478 25953 4091 1 11 . 1 1 537 537 PHE N N 537 120.390 120.390 120.378 0.012 25953 4092 1 11 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.831 -0.190 25953 4093 1 11 . 1 1 537 537 PHE C C 537 176.005 176.005 175.904 0.101 25953 4094 1 11 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.813 -0.009 25953 4095 1 11 . 1 1 537 537 PHE CB C 537 39.450 39.450 40.865 -1.415 25953 4096 1 11 . 1 1 537 537 PHE H H 537 8.266 8.266 8.233 0.033 25953 4097 1 11 . 1 1 538 538 SER N N 538 117.148 117.148 116.347 0.801 25953 4098 1 11 . 1 1 538 538 SER HA H 538 4.399 4.399 4.627 -0.228 25953 4099 1 11 . 1 1 538 538 SER C C 538 174.167 174.167 172.551 1.616 25953 4100 1 11 . 1 1 538 538 SER CA C 538 58.437 58.437 57.713 0.724 25953 4101 1 11 . 1 1 538 538 SER CB C 538 63.956 63.956 64.153 -0.197 25953 4102 1 11 . 1 1 538 538 SER H H 538 8.194 8.194 8.481 -0.287 25953 4103 1 11 . 1 1 539 539 ASP N N 539 122.404 122.404 122.235 0.169 25953 4104 1 11 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.712 -0.126 25953 4105 1 11 . 1 1 539 539 ASP C C 539 176.496 176.496 176.816 -0.320 25953 4106 1 11 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.021 0.450 25953 4107 1 11 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.592 -0.571 25953 4108 1 11 . 1 1 539 539 ASP H H 539 8.333 8.333 8.482 -0.149 25953 4109 1 11 . 1 1 540 540 ARG N N 540 121.337 121.337 125.953 -4.616 25953 4110 1 11 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.362 0.001 25953 4111 1 11 . 1 1 540 540 ARG C C 540 176.889 176.889 175.666 1.223 25953 4112 1 11 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.882 0.524 25953 4113 1 11 . 1 1 540 540 ARG CB C 540 30.365 30.365 29.395 0.970 25953 4114 1 11 . 1 1 540 540 ARG H H 540 8.293 8.293 8.490 -0.197 25953 4115 1 11 . 1 1 541 541 SER N N 541 116.606 116.606 116.657 -0.051 25953 4116 1 11 . 1 1 541 541 SER HA H 541 4.319 4.319 4.486 -0.167 25953 4117 1 11 . 1 1 541 541 SER C C 541 175.060 175.060 175.360 -0.300 25953 4118 1 11 . 1 1 541 541 SER CA C 541 59.655 59.655 58.512 1.143 25953 4119 1 11 . 1 1 541 541 SER CB C 541 63.417 63.417 64.694 -1.277 25953 4120 1 11 . 1 1 541 541 SER H H 541 8.369 8.369 7.953 0.416 25953 4121 1 11 . 1 1 542 542 ASN N N 542 120.759 120.759 123.692 -2.933 25953 4122 1 11 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.608 0.092 25953 4123 1 11 . 1 1 542 542 ASN C C 542 175.903 175.903 177.348 -1.445 25953 4124 1 11 . 1 1 542 542 ASN CA C 542 53.788 53.788 55.644 -1.856 25953 4125 1 11 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.464 0.264 25953 4126 1 11 . 1 1 542 542 ASN H H 542 8.451 8.451 8.945 -0.494 25953 4127 1 11 . 1 1 543 543 GLU N N 543 120.886 120.886 120.867 0.019 25953 4128 1 11 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.186 -0.195 25953 4129 1 11 . 1 1 543 543 GLU C C 543 177.658 177.658 178.593 -0.935 25953 4130 1 11 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.310 -0.521 25953 4131 1 11 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.487 0.267 25953 4132 1 11 . 1 1 543 543 GLU H H 543 8.257 8.257 8.739 -0.482 25953 4133 1 11 . 1 1 544 544 LEU N N 544 119.978 119.978 118.212 1.766 25953 4134 1 11 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.242 -0.155 25953 4135 1 11 . 1 1 544 544 LEU C C 544 179.340 179.340 179.041 0.299 25953 4136 1 11 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.913 0.285 25953 4137 1 11 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.299 0.312 25953 4138 1 11 . 1 1 544 544 LEU H H 544 8.104 8.104 8.146 -0.042 25953 4139 1 11 . 1 1 545 545 GLU N N 545 120.432 120.432 120.276 0.156 25953 4140 1 11 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.071 -0.011 25953 4141 1 11 . 1 1 545 545 GLU C C 545 178.371 178.371 178.265 0.106 25953 4142 1 11 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.256 -1.013 25953 4143 1 11 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.756 -0.191 25953 4144 1 11 . 1 1 545 545 GLU H H 545 7.995 7.995 7.717 0.278 25953 4145 1 11 . 1 1 546 546 ILE N N 546 119.751 119.751 116.942 2.809 25953 4146 1 11 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.816 -0.192 25953 4147 1 11 . 1 1 546 546 ILE C C 546 178.857 178.857 178.734 0.123 25953 4148 1 11 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.093 -0.254 25953 4149 1 11 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.544 0.110 25953 4150 1 11 . 1 1 546 546 ILE H H 546 7.828 7.828 8.204 -0.376 25953 4151 1 11 . 1 1 547 547 ARG N N 547 120.304 120.304 119.026 1.278 25953 4152 1 11 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.421 -0.064 25953 4153 1 11 . 1 1 547 547 ARG C C 547 176.842 176.842 178.331 -1.489 25953 4154 1 11 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.568 -0.693 25953 4155 1 11 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.161 0.299 25953 4156 1 11 . 1 1 547 547 ARG H H 547 8.313 8.313 7.663 0.650 25953 4157 1 11 . 1 1 548 548 GLY N N 548 104.777 104.777 105.460 -0.683 25953 4158 1 11 . 1 1 548 548 GLY C C 548 175.105 175.105 174.525 0.580 25953 4159 1 11 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.966 0.494 25953 4160 1 11 . 1 1 548 548 GLY H H 548 7.823 7.823 7.665 0.158 25953 4161 1 11 . 1 1 549 549 LYS N N 549 122.134 122.134 122.445 -0.311 25953 4162 1 11 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.457 -0.080 25953 4163 1 11 . 1 1 549 549 LYS C C 549 175.156 175.156 175.513 -0.357 25953 4164 1 11 . 1 1 549 549 LYS CA C 549 57.373 57.373 55.595 1.778 25953 4165 1 11 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.726 -0.579 25953 4166 1 11 . 1 1 549 549 LYS H H 549 7.257 7.257 7.435 -0.178 25953 4167 1 11 . 1 1 550 550 TYR N N 550 117.482 117.482 118.557 -1.075 25953 4168 1 11 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.803 -0.045 25953 4169 1 11 . 1 1 550 550 TYR C C 550 174.650 174.650 174.325 0.325 25953 4170 1 11 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.154 -0.124 25953 4171 1 11 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.950 0.278 25953 4172 1 11 . 1 1 550 550 TYR H H 550 8.108 8.108 7.973 0.135 25953 4173 1 11 . 1 1 551 551 VAL N N 551 117.964 117.964 119.843 -1.879 25953 4174 1 11 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.377 0.082 25953 4175 1 11 . 1 1 551 551 VAL C C 551 174.974 174.974 174.316 0.658 25953 4176 1 11 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.624 -1.586 25953 4177 1 11 . 1 1 551 551 VAL CB C 551 36.793 36.793 37.388 -0.595 25953 4178 1 11 . 1 1 551 551 VAL H H 551 8.549 8.549 8.597 -0.048 25953 4179 1 11 . 1 1 552 552 VAL N N 552 126.679 126.679 126.325 0.354 25953 4180 1 11 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.427 -0.268 25953 4181 1 11 . 1 1 552 552 VAL C C 552 175.545 175.545 175.416 0.129 25953 4182 1 11 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.167 0.985 25953 4183 1 11 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.525 -0.567 25953 4184 1 11 . 1 1 552 552 VAL H H 552 8.642 8.642 8.428 0.214 25953 4185 1 11 . 1 1 553 553 VAL N N 553 129.744 129.744 129.081 0.663 25953 4186 1 11 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.235 -1.776 25953 4187 1 11 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.641 3.527 25953 4188 1 11 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.478 -2.094 25953 4189 1 11 . 1 1 553 553 VAL H H 553 8.341 8.341 8.419 -0.078 25953 4190 1 11 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.622 -0.234 25953 4191 1 11 . 1 1 554 554 PRO C C 554 178.374 178.374 177.487 0.887 25953 4192 1 11 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.754 -0.178 25953 4193 1 11 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.529 0.226 25953 4194 1 11 . 1 1 555 555 GLU N N 555 122.440 122.440 122.647 -0.207 25953 4195 1 11 . 1 1 555 555 GLU HA H 555 4.054 4.054 4.089 -0.035 25953 4196 1 11 . 1 1 555 555 GLU C C 555 176.757 176.757 177.130 -0.373 25953 4197 1 11 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.506 -1.005 25953 4198 1 11 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.417 -0.004 25953 4199 1 11 . 1 1 555 555 GLU H H 555 8.904 8.904 9.043 -0.139 25953 4200 1 11 . 1 1 556 556 THR N N 556 104.703 104.703 108.866 -4.163 25953 4201 1 11 . 1 1 556 556 THR HA H 556 4.152 4.152 4.107 0.045 25953 4202 1 11 . 1 1 556 556 THR C C 556 175.161 175.161 175.528 -0.367 25953 4203 1 11 . 1 1 556 556 THR CA C 556 61.379 61.379 63.556 -2.177 25953 4204 1 11 . 1 1 556 556 THR CB C 556 68.976 68.976 68.550 0.426 25953 4205 1 11 . 1 1 556 556 THR H H 556 7.160 7.160 7.851 -0.691 25953 4206 1 11 . 1 1 557 557 SER N N 557 116.705 116.705 117.883 -1.178 25953 4207 1 11 . 1 1 557 557 SER HA H 557 4.529 4.529 4.325 0.204 25953 4208 1 11 . 1 1 557 557 SER C C 557 175.325 175.325 175.156 0.169 25953 4209 1 11 . 1 1 557 557 SER CA C 557 58.036 58.036 56.967 1.069 25953 4210 1 11 . 1 1 557 557 SER CB C 557 63.214 63.214 62.113 1.101 25953 4211 1 11 . 1 1 557 557 SER H H 557 7.405 7.405 7.597 -0.192 25953 4212 1 11 . 1 1 558 558 GLN N N 558 127.356 127.356 125.773 1.583 25953 4213 1 11 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.941 0.228 25953 4214 1 11 . 1 1 558 558 GLN C C 558 176.491 176.491 176.523 -0.032 25953 4215 1 11 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.247 -0.653 25953 4216 1 11 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.740 0.033 25953 4217 1 11 . 1 1 558 558 GLN H H 558 8.915 8.915 7.995 0.920 25953 4218 1 11 . 1 1 559 559 ASP N N 559 116.840 116.840 117.609 -0.769 25953 4219 1 11 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.580 -0.095 25953 4220 1 11 . 1 1 559 559 ASP C C 559 175.554 175.554 175.782 -0.228 25953 4221 1 11 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.832 -0.629 25953 4222 1 11 . 1 1 559 559 ASP CB C 559 40.526 40.526 40.599 -0.073 25953 4223 1 11 . 1 1 559 559 ASP H H 559 8.275 8.275 8.388 -0.113 25953 4224 1 11 . 1 1 560 560 MET N N 560 112.866 112.866 115.706 -2.840 25953 4225 1 11 . 1 1 560 560 MET HA H 560 3.899 3.899 3.702 0.197 25953 4226 1 11 . 1 1 560 560 MET C C 560 175.044 175.044 174.303 0.741 25953 4227 1 11 . 1 1 560 560 MET CA C 560 56.400 56.400 56.041 0.359 25953 4228 1 11 . 1 1 560 560 MET CB C 560 30.933 30.933 29.809 1.124 25953 4229 1 11 . 1 1 560 560 MET H H 560 7.935 7.935 7.503 0.432 25953 4230 1 11 . 1 1 561 561 ALA N N 561 122.207 122.207 119.396 2.811 25953 4231 1 11 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.872 0.039 25953 4232 1 11 . 1 1 561 561 ALA C C 561 176.577 176.577 175.643 0.934 25953 4233 1 11 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.472 -0.495 25953 4234 1 11 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.590 0.697 25953 4235 1 11 . 1 1 561 561 ALA H H 561 7.910 7.910 7.441 0.469 25953 4236 1 11 . 1 1 562 562 PHE N N 562 117.027 117.027 119.215 -2.188 25953 4237 1 11 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.745 -0.109 25953 4238 1 11 . 1 1 562 562 PHE C C 562 170.988 170.988 173.926 -2.938 25953 4239 1 11 . 1 1 562 562 PHE CA C 562 56.230 56.230 55.960 0.270 25953 4240 1 11 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.757 -2.711 25953 4241 1 11 . 1 1 562 562 PHE H H 562 8.075 8.075 8.037 0.038 25953 4242 1 11 . 1 1 563 563 LYS N N 563 120.420 120.420 123.225 -2.805 25953 4243 1 11 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.738 -0.238 25953 4244 1 11 . 1 1 563 563 LYS C C 563 176.093 176.093 175.861 0.232 25953 4245 1 11 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.821 -1.019 25953 4246 1 11 . 1 1 563 563 LYS CB C 563 33.679 33.679 33.347 0.332 25953 4247 1 11 . 1 1 563 563 LYS H H 563 8.392 8.392 8.505 -0.113 25953 4248 1 11 . 1 1 564 564 N N 564 132.535 132.535 10008.600 -9876.060 25953 4249 1 11 . 1 1 564 564 HA H 564 4.639 4.639 9998.880 -9994.240 25953 4250 1 11 . 1 1 564 564 C C 564 175.820 175.820 9997.760 -9821.940 25953 4251 1 11 . 1 1 564 564 CA C 564 57.545 57.545 9996.770 -9939.220 25953 4252 1 11 . 1 1 564 564 CB C 564 30.650 30.650 9997.810 -9967.160 25953 4253 1 11 . 1 1 564 564 H H 564 8.456 8.456 9999.370 -9990.910 25953 4254 1 11 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.298 0.082 25953 4255 1 11 . 1 1 565 565 PRO C C 565 177.300 177.300 176.988 0.312 25953 4256 1 11 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.080 -0.687 25953 4257 1 11 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.808 1.197 25953 4258 1 11 . 1 1 566 566 ILE N N 566 118.529 118.529 118.619 -0.090 25953 4259 1 11 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.972 0.159 25953 4260 1 11 . 1 1 566 566 ILE C C 566 176.361 176.361 177.428 -1.067 25953 4261 1 11 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.529 0.170 25953 4262 1 11 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.625 0.172 25953 4263 1 11 . 1 1 566 566 ILE H H 566 8.528 8.528 8.302 0.226 25953 4264 1 11 . 1 1 567 567 N N 567 116.646 116.646 9994.140 -9877.490 25953 4265 1 11 . 1 1 567 567 HA H 567 4.932 4.932 9999.400 -9994.470 25953 4266 1 11 . 1 1 567 567 C C 567 176.175 176.175 9999.160 -9822.990 25953 4267 1 11 . 1 1 567 567 CA C 567 58.801 58.801 9997.040 -9938.240 25953 4268 1 11 . 1 1 567 567 CB C 567 31.243 31.243 10000.600 -9969.360 25953 4269 1 11 . 1 1 567 567 H H 567 7.770 7.770 9998.630 -9990.860 25953 4270 1 11 . 1 1 568 568 LYS N N 568 116.867 116.867 119.772 -2.905 25953 4271 1 11 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.034 -0.019 25953 4272 1 11 . 1 1 568 568 LYS C C 568 175.290 175.290 175.185 0.105 25953 4273 1 11 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.564 0.310 25953 4274 1 11 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.935 -1.300 25953 4275 1 11 . 1 1 568 568 LYS H H 568 8.038 8.038 8.160 -0.122 25953 4276 1 11 . 1 1 569 569 GLU N N 569 120.683 120.683 118.027 2.656 25953 4277 1 11 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.677 -0.205 25953 4278 1 11 . 1 1 569 569 GLU C C 569 175.851 175.851 175.898 -0.047 25953 4279 1 11 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.711 1.490 25953 4280 1 11 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.808 -1.465 25953 4281 1 11 . 1 1 569 569 GLU H H 569 8.380 8.380 7.672 0.708 25953 4282 1 11 . 1 1 570 570 THR N N 570 118.082 118.082 119.863 -1.781 25953 4283 1 11 . 1 1 570 570 THR HA H 570 4.378 4.378 4.808 -0.430 25953 4284 1 11 . 1 1 570 570 THR C C 570 174.070 174.070 174.445 -0.375 25953 4285 1 11 . 1 1 570 570 THR CA C 570 63.174 63.174 63.117 0.057 25953 4286 1 11 . 1 1 570 570 THR CB C 570 69.853 69.853 69.413 0.440 25953 4287 1 11 . 1 1 570 570 THR H H 570 8.565 8.565 8.614 -0.049 25953 4288 1 11 . 1 1 571 571 VAL N N 571 132.533 132.533 128.863 3.670 25953 4289 1 11 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.586 -0.715 25953 4290 1 11 . 1 1 571 571 VAL C C 571 174.198 174.198 174.401 -0.203 25953 4291 1 11 . 1 1 571 571 VAL CA C 571 62.070 62.070 59.888 2.182 25953 4292 1 11 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.290 -1.360 25953 4293 1 11 . 1 1 571 571 VAL H H 571 8.740 8.740 9.089 -0.349 25953 4294 1 11 . 1 1 572 572 THR N N 572 116.229 116.229 121.291 -5.062 25953 4295 1 11 . 1 1 572 572 THR HA H 572 5.243 5.243 5.268 -0.025 25953 4296 1 11 . 1 1 572 572 THR C C 572 175.803 175.803 175.440 0.363 25953 4297 1 11 . 1 1 572 572 THR CA C 572 60.095 60.095 60.461 -0.366 25953 4298 1 11 . 1 1 572 572 THR CB C 572 70.889 70.889 70.636 0.253 25953 4299 1 11 . 1 1 572 572 THR H H 572 8.089 8.089 8.432 -0.343 25953 4300 1 11 . 1 1 573 573 GLY N N 573 110.544 110.544 110.729 -0.185 25953 4301 1 11 . 1 1 573 573 GLY C C 573 172.769 172.769 173.774 -1.005 25953 4302 1 11 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.788 1.646 25953 4303 1 11 . 1 1 573 573 GLY H H 573 8.871 8.871 8.367 0.504 25953 4304 1 11 . 1 1 574 574 VAL N N 574 120.833 120.833 119.656 1.177 25953 4305 1 11 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.602 0.225 25953 4306 1 11 . 1 1 574 574 VAL C C 574 173.472 173.472 174.026 -0.554 25953 4307 1 11 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.496 0.505 25953 4308 1 11 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.501 0.138 25953 4309 1 11 . 1 1 574 574 VAL H H 574 9.473 9.473 8.766 0.707 25953 4310 1 11 . 1 1 575 575 TYR N N 575 126.796 126.796 126.135 0.661 25953 4311 1 11 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.832 -1.270 25953 4312 1 11 . 1 1 575 575 TYR C C 575 174.622 174.622 175.152 -0.530 25953 4313 1 11 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.326 -0.094 25953 4314 1 11 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.930 -1.666 25953 4315 1 11 . 1 1 575 575 TYR H H 575 8.410 8.410 8.857 -0.447 25953 4316 1 11 . 1 1 576 576 ASP N N 576 130.548 130.548 127.203 3.345 25953 4317 1 11 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.433 -0.003 25953 4318 1 11 . 1 1 576 576 ASP C C 576 174.399 174.399 175.409 -1.010 25953 4319 1 11 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.533 -0.024 25953 4320 1 11 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.496 -0.484 25953 4321 1 11 . 1 1 576 576 ASP H H 576 8.228 8.228 8.332 -0.104 25953 4322 1 11 . 1 1 577 577 GLU N N 577 125.178 125.178 124.461 0.717 25953 4323 1 11 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.038 -0.459 25953 4324 1 11 . 1 1 577 577 GLU C C 577 178.103 178.103 177.228 0.875 25953 4325 1 11 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.340 1.367 25953 4326 1 11 . 1 1 577 577 GLU CB C 577 29.510 29.510 28.982 0.528 25953 4327 1 11 . 1 1 577 577 GLU H H 577 8.480 8.480 8.555 -0.075 25953 4328 1 11 . 1 1 578 578 GLU N N 578 117.933 117.933 120.124 -2.191 25953 4329 1 11 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.239 -0.270 25953 4330 1 11 . 1 1 578 578 GLU C C 578 177.632 177.632 178.092 -0.460 25953 4331 1 11 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.806 1.233 25953 4332 1 11 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.875 -0.489 25953 4333 1 11 . 1 1 578 578 GLU H H 578 8.126 8.126 8.110 0.016 25953 4334 1 11 . 1 1 579 579 SER N N 579 111.483 111.483 112.583 -1.100 25953 4335 1 11 . 1 1 579 579 SER HA H 579 4.343 4.343 4.514 -0.171 25953 4336 1 11 . 1 1 579 579 SER C C 579 176.070 176.070 174.446 1.624 25953 4337 1 11 . 1 1 579 579 SER CA C 579 58.557 58.557 57.814 0.743 25953 4338 1 11 . 1 1 579 579 SER CB C 579 64.809 64.809 64.161 0.648 25953 4339 1 11 . 1 1 579 579 SER H H 579 7.510 7.510 8.459 -0.949 25953 4340 1 11 . 1 1 580 580 GLY N N 580 113.307 113.307 109.760 3.547 25953 4341 1 11 . 1 1 580 580 GLY C C 580 173.600 173.600 174.183 -0.583 25953 4342 1 11 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.109 0.997 25953 4343 1 11 . 1 1 580 580 GLY H H 580 8.196 8.196 7.781 0.415 25953 4344 1 11 . 1 1 581 581 GLU N N 581 116.623 116.623 117.928 -1.305 25953 4345 1 11 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.498 0.207 25953 4346 1 11 . 1 1 581 581 GLU C C 581 174.750 174.750 174.598 0.152 25953 4347 1 11 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.801 0.068 25953 4348 1 11 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.668 -0.058 25953 4349 1 11 . 1 1 581 581 GLU H H 581 6.994 6.994 7.845 -0.851 25953 4350 1 11 . 1 1 582 582 TRP N N 582 122.364 122.364 118.250 4.114 25953 4351 1 11 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.157 -0.356 25953 4352 1 11 . 1 1 582 582 TRP C C 582 176.750 176.750 176.111 0.639 25953 4353 1 11 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.951 0.082 25953 4354 1 11 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.114 -2.257 25953 4355 1 11 . 1 1 582 582 TRP H H 582 8.841 8.841 8.463 0.378 25953 4356 1 11 . 1 1 583 583 VAL N N 583 115.147 115.147 118.916 -3.769 25953 4357 1 11 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.089 0.027 25953 4358 1 11 . 1 1 583 583 VAL C C 583 175.063 175.063 174.321 0.742 25953 4359 1 11 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.057 -0.659 25953 4360 1 11 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.717 0.052 25953 4361 1 11 . 1 1 583 583 VAL H H 583 9.440 9.440 9.248 0.192 25953 4362 1 11 . 1 1 584 584 TRP N N 584 123.710 123.710 125.128 -1.418 25953 4363 1 11 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.240 0.010 25953 4364 1 11 . 1 1 584 584 TRP C C 584 176.436 176.436 174.973 1.463 25953 4365 1 11 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.890 -0.489 25953 4366 1 11 . 1 1 584 584 TRP CB C 584 28.443 28.443 31.181 -2.738 25953 4367 1 11 . 1 1 584 584 TRP H H 584 9.295 9.295 9.360 -0.065 25953 4368 1 11 . 1 1 585 585 LYS N N 585 122.031 122.031 123.964 -1.933 25953 4369 1 11 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.553 0.010 25953 4370 1 11 . 1 1 585 585 LYS C C 585 178.886 178.886 177.470 1.416 25953 4371 1 11 . 1 1 585 585 LYS CA C 585 56.313 56.313 56.344 -0.031 25953 4372 1 11 . 1 1 585 585 LYS CB C 585 33.433 33.433 33.860 -0.427 25953 4373 1 11 . 1 1 585 585 LYS H H 585 8.689 8.689 8.814 -0.125 25953 4374 1 11 . 1 1 586 586 ASN N N 586 123.634 123.634 120.975 2.659 25953 4375 1 11 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.568 0.335 25953 4376 1 11 . 1 1 586 586 ASN C C 586 176.043 176.043 173.953 2.090 25953 4377 1 11 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.553 0.149 25953 4378 1 11 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.517 -0.465 25953 4379 1 11 . 1 1 586 586 ASN H H 586 8.830 8.830 9.055 -0.225 25953 4380 1 11 . 1 1 587 587 THR N N 587 114.536 114.536 114.433 0.103 25953 4381 1 11 . 1 1 587 587 THR HA H 587 5.482 5.482 5.190 0.292 25953 4382 1 11 . 1 1 587 587 THR C C 587 171.882 171.882 173.380 -1.498 25953 4383 1 11 . 1 1 587 587 THR CA C 587 63.252 63.252 62.150 1.102 25953 4384 1 11 . 1 1 587 587 THR CB C 587 73.106 73.106 71.954 1.152 25953 4385 1 11 . 1 1 587 587 THR H H 587 8.179 8.179 8.115 0.064 25953 4386 1 11 . 1 1 588 588 ILE N N 588 120.751 120.751 122.088 -1.337 25953 4387 1 11 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.509 -0.078 25953 4388 1 11 . 1 1 588 588 ILE C C 588 171.550 171.550 172.759 -1.209 25953 4389 1 11 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.271 -0.311 25953 4390 1 11 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.844 1.508 25953 4391 1 11 . 1 1 588 588 ILE H H 588 8.984 8.984 9.066 -0.082 25953 4392 1 11 . 1 1 589 589 GLU N N 589 125.535 125.535 127.917 -2.382 25953 4393 1 11 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.984 -0.173 25953 4394 1 11 . 1 1 589 589 GLU C C 589 175.587 175.587 175.031 0.556 25953 4395 1 11 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.222 -0.061 25953 4396 1 11 . 1 1 589 589 GLU CB C 589 31.623 31.623 32.182 -0.559 25953 4397 1 11 . 1 1 589 589 GLU H H 589 8.337 8.337 8.176 0.161 25953 4398 1 11 . 1 1 590 590 VAL N N 590 126.684 126.684 125.596 1.088 25953 4399 1 11 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.324 -0.337 25953 4400 1 11 . 1 1 590 590 VAL C C 590 176.078 176.078 175.598 0.480 25953 4401 1 11 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.247 0.327 25953 4402 1 11 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.591 -0.763 25953 4403 1 11 . 1 1 590 590 VAL H H 590 9.013 9.013 9.207 -0.194 25953 4404 1 11 . 1 1 591 591 ASN N N 591 127.075 127.075 124.997 2.078 25953 4405 1 11 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.380 -0.077 25953 4406 1 11 . 1 1 591 591 ASN C C 591 175.223 175.223 175.934 -0.711 25953 4407 1 11 . 1 1 591 591 ASN CA C 591 54.048 54.048 53.752 0.296 25953 4408 1 11 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.261 -0.492 25953 4409 1 11 . 1 1 591 591 ASN H H 591 9.347 9.347 9.215 0.132 25953 4410 1 11 . 1 1 592 592 GLY N N 592 104.628 104.628 100.744 3.884 25953 4411 1 11 . 1 1 592 592 GLY C C 592 172.842 172.842 174.119 -1.277 25953 4412 1 11 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.389 -0.108 25953 4413 1 11 . 1 1 592 592 GLY H H 592 8.990 8.990 8.424 0.566 25953 4414 1 11 . 1 1 593 593 LYS N N 593 120.387 120.387 119.094 1.293 25953 4415 1 11 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.523 -0.336 25953 4416 1 11 . 1 1 593 593 LYS C C 593 173.344 173.344 174.675 -1.331 25953 4417 1 11 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.451 -0.312 25953 4418 1 11 . 1 1 593 593 LYS CB C 593 34.946 34.946 35.778 -0.832 25953 4419 1 11 . 1 1 593 593 LYS H H 593 7.485 7.485 7.896 -0.411 25953 4420 1 11 . 1 1 594 594 TYR N N 594 119.730 119.730 119.127 0.603 25953 4421 1 11 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.929 -0.098 25953 4422 1 11 . 1 1 594 594 TYR C C 594 173.851 173.851 175.410 -1.559 25953 4423 1 11 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.193 -0.265 25953 4424 1 11 . 1 1 594 594 TYR CB C 594 37.574 37.574 41.205 -3.631 25953 4425 1 11 . 1 1 594 594 TYR H H 594 7.092 7.092 8.060 -0.968 25953 4426 1 11 . 1 1 595 595 PHE N N 595 116.435 116.435 118.367 -1.932 25953 4427 1 11 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.746 0.292 25953 4428 1 11 . 1 1 595 595 PHE C C 595 177.013 177.013 174.083 2.930 25953 4429 1 11 . 1 1 595 595 PHE CA C 595 55.528 55.528 56.964 -1.436 25953 4430 1 11 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.208 1.190 25953 4431 1 11 . 1 1 595 595 PHE H H 595 8.459 8.459 8.888 -0.429 25953 4432 1 11 . 1 1 596 596 N N 596 118.187 118.187 10002.300 -9884.110 25953 4433 1 11 . 1 1 596 596 HA H 596 6.064 6.064 9999.600 -9993.540 25953 4434 1 11 . 1 1 596 596 CA C 596 58.668 58.668 9998.590 -9939.920 25953 4435 1 11 . 1 1 596 596 CB C 596 32.486 32.486 10000.500 -9968.010 25953 4436 1 11 . 1 1 596 596 H H 596 9.113 9.113 9999.770 -9990.660 25953 4437 1 11 . 1 1 597 597 SER N N 597 118.403 118.403 121.902 -3.499 25953 4438 1 11 . 1 1 597 597 SER HA H 597 4.798 4.798 4.247 0.551 25953 4439 1 11 . 1 1 597 597 SER C C 597 179.336 179.336 176.918 2.418 25953 4440 1 11 . 1 1 597 597 SER CA C 597 60.633 60.633 62.487 -1.855 25953 4441 1 11 . 1 1 597 597 SER CB C 597 62.965 62.965 63.335 -0.370 25953 4442 1 11 . 1 1 597 597 SER H H 597 8.110 8.110 9.071 -0.961 25953 4443 1 11 . 1 1 598 598 THR N N 598 111.927 111.927 116.711 -4.784 25953 4444 1 11 . 1 1 598 598 THR HA H 598 3.991 3.991 4.280 -0.289 25953 4445 1 11 . 1 1 598 598 THR C C 598 178.244 178.244 176.283 1.961 25953 4446 1 11 . 1 1 598 598 THR CA C 598 64.766 64.766 65.748 -0.982 25953 4447 1 11 . 1 1 598 598 THR CB C 598 67.467 67.467 68.384 -0.917 25953 4448 1 11 . 1 1 598 598 THR H H 598 9.120 9.120 8.340 0.780 25953 4449 1 11 . 1 1 599 599 N N 599 117.596 117.596 10000.600 -9883.000 25953 4450 1 11 . 1 1 599 599 HA H 599 4.055 4.055 9998.910 -9994.860 25953 4451 1 11 . 1 1 599 599 C C 599 177.266 177.266 10000.800 -9823.530 25953 4452 1 11 . 1 1 599 599 CA C 599 63.602 63.602 10003.000 -9939.400 25953 4453 1 11 . 1 1 599 599 CB C 599 30.014 30.014 9997.350 -9967.340 25953 4454 1 11 . 1 1 599 599 H H 599 6.935 6.935 9998.870 -9991.940 25953 4455 1 11 . 1 1 600 600 TYR N N 600 119.532 119.532 120.572 -1.040 25953 4456 1 11 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.967 -0.370 25953 4457 1 11 . 1 1 600 600 TYR C C 600 177.533 177.533 177.567 -0.034 25953 4458 1 11 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.908 0.225 25953 4459 1 11 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.265 1.156 25953 4460 1 11 . 1 1 600 600 TYR H H 600 8.396 8.396 8.849 -0.453 25953 4461 1 11 . 1 1 601 601 N N 601 117.457 117.457 9998.560 -9881.100 25953 4462 1 11 . 1 1 601 601 HA H 601 4.126 4.126 9998.690 -9994.560 25953 4463 1 11 . 1 1 601 601 CA C 601 60.119 60.119 10001.900 -9941.780 25953 4464 1 11 . 1 1 601 601 CB C 601 29.903 29.903 9999.260 -9969.360 25953 4465 1 11 . 1 1 601 601 H H 601 8.417 8.417 9999.220 -9990.800 25953 4466 1 11 . 1 1 602 602 GLU N N 602 118.228 118.228 117.965 0.263 25953 4467 1 11 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.083 -0.002 25953 4468 1 11 . 1 1 602 602 GLU C C 602 177.912 177.912 178.334 -0.422 25953 4469 1 11 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.251 -0.091 25953 4470 1 11 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.045 -0.312 25953 4471 1 11 . 1 1 602 602 GLU H H 602 8.094 8.094 7.962 0.132 25953 4472 1 11 . 1 1 603 603 THR N N 603 111.252 111.252 113.000 -1.748 25953 4473 1 11 . 1 1 603 603 THR HA H 603 4.265 4.265 4.221 0.044 25953 4474 1 11 . 1 1 603 603 THR C C 603 175.279 175.279 175.010 0.269 25953 4475 1 11 . 1 1 603 603 THR CA C 603 63.116 63.116 63.646 -0.530 25953 4476 1 11 . 1 1 603 603 THR CB C 603 69.801 69.801 69.584 0.217 25953 4477 1 11 . 1 1 603 603 THR H H 603 7.578 7.578 7.918 -0.340 25953 4478 1 11 . 1 1 604 604 SER N N 604 117.291 117.291 114.861 2.430 25953 4479 1 11 . 1 1 604 604 SER HA H 604 4.221 4.221 3.584 0.637 25953 4480 1 11 . 1 1 604 604 SER C C 604 174.838 174.838 172.785 2.053 25953 4481 1 11 . 1 1 604 604 SER CA C 604 59.105 59.105 58.636 0.469 25953 4482 1 11 . 1 1 604 604 SER CB C 604 63.387 63.387 63.391 -0.004 25953 4483 1 11 . 1 1 604 604 SER H H 604 7.849 7.849 7.789 0.060 25953 4484 1 11 . 1 1 605 605 GLN N N 605 120.747 120.747 119.892 0.855 25953 4485 1 11 . 1 1 605 605 GLN C C 605 175.801 175.801 174.614 1.187 25953 4486 1 11 . 1 1 605 605 GLN CA C 605 56.080 56.080 54.855 1.225 25953 4487 1 11 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.663 -1.737 25953 4488 1 11 . 1 1 605 605 GLN H H 605 7.971 7.971 8.133 -0.162 25953 4489 1 12 . 1 1 535 535 SER HA H 535 4.465 4.465 4.290 0.175 25953 4490 1 12 . 1 1 535 535 SER C C 535 174.718 174.718 175.087 -0.369 25953 4491 1 12 . 1 1 535 535 SER CA C 535 58.323 58.323 57.896 0.427 25953 4492 1 12 . 1 1 535 535 SER CB C 535 63.845 63.845 63.455 0.390 25953 4493 1 12 . 1 1 536 536 GLU N N 536 122.899 122.899 121.804 1.095 25953 4494 1 12 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.209 -0.008 25953 4495 1 12 . 1 1 536 536 GLU C C 536 176.241 176.241 175.636 0.605 25953 4496 1 12 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.112 0.965 25953 4497 1 12 . 1 1 536 536 GLU CB C 536 29.832 29.832 27.851 1.981 25953 4498 1 12 . 1 1 536 536 GLU H H 536 8.638 8.638 8.406 0.232 25953 4499 1 12 . 1 1 537 537 PHE N N 537 120.390 120.390 121.937 -1.547 25953 4500 1 12 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.500 0.141 25953 4501 1 12 . 1 1 537 537 PHE C C 537 176.005 176.005 176.727 -0.722 25953 4502 1 12 . 1 1 537 537 PHE CA C 537 57.804 57.804 59.544 -1.740 25953 4503 1 12 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.503 -0.053 25953 4504 1 12 . 1 1 537 537 PHE H H 537 8.266 8.266 7.626 0.640 25953 4505 1 12 . 1 1 538 538 SER N N 538 117.148 117.148 114.896 2.252 25953 4506 1 12 . 1 1 538 538 SER HA H 538 4.399 4.399 4.751 -0.352 25953 4507 1 12 . 1 1 538 538 SER C C 538 174.167 174.167 173.840 0.327 25953 4508 1 12 . 1 1 538 538 SER CA C 538 58.437 58.437 57.509 0.928 25953 4509 1 12 . 1 1 538 538 SER CB C 538 63.956 63.956 64.219 -0.263 25953 4510 1 12 . 1 1 538 538 SER H H 538 8.194 8.194 8.439 -0.245 25953 4511 1 12 . 1 1 539 539 ASP N N 539 122.404 122.404 123.992 -1.588 25953 4512 1 12 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.789 -0.203 25953 4513 1 12 . 1 1 539 539 ASP C C 539 176.496 176.496 176.237 0.259 25953 4514 1 12 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.717 -0.246 25953 4515 1 12 . 1 1 539 539 ASP CB C 539 41.021 41.021 38.814 2.207 25953 4516 1 12 . 1 1 539 539 ASP H H 539 8.333 8.333 8.673 -0.340 25953 4517 1 12 . 1 1 540 540 ARG N N 540 121.337 121.337 121.292 0.045 25953 4518 1 12 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.141 0.222 25953 4519 1 12 . 1 1 540 540 ARG C C 540 176.889 176.889 176.326 0.563 25953 4520 1 12 . 1 1 540 540 ARG CA C 540 56.406 56.406 57.858 -1.452 25953 4521 1 12 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.741 -0.376 25953 4522 1 12 . 1 1 540 540 ARG H H 540 8.293 8.293 7.961 0.332 25953 4523 1 12 . 1 1 541 541 SER N N 541 116.606 116.606 113.575 3.031 25953 4524 1 12 . 1 1 541 541 SER HA H 541 4.319 4.319 4.667 -0.348 25953 4525 1 12 . 1 1 541 541 SER C C 541 175.060 175.060 174.311 0.749 25953 4526 1 12 . 1 1 541 541 SER CA C 541 59.655 59.655 57.102 2.553 25953 4527 1 12 . 1 1 541 541 SER CB C 541 63.417 63.417 65.415 -1.998 25953 4528 1 12 . 1 1 541 541 SER H H 541 8.369 8.369 8.227 0.142 25953 4529 1 12 . 1 1 542 542 ASN N N 542 120.759 120.759 123.638 -2.879 25953 4530 1 12 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.648 0.052 25953 4531 1 12 . 1 1 542 542 ASN C C 542 175.903 175.903 176.787 -0.884 25953 4532 1 12 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.598 -0.810 25953 4533 1 12 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.603 0.125 25953 4534 1 12 . 1 1 542 542 ASN H H 542 8.451 8.451 8.992 -0.541 25953 4535 1 12 . 1 1 543 543 GLU N N 543 120.886 120.886 120.259 0.627 25953 4536 1 12 . 1 1 543 543 GLU HA H 543 3.991 3.991 3.962 0.029 25953 4537 1 12 . 1 1 543 543 GLU C C 543 177.658 177.658 177.901 -0.243 25953 4538 1 12 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.629 0.160 25953 4539 1 12 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.130 0.624 25953 4540 1 12 . 1 1 543 543 GLU H H 543 8.257 8.257 8.773 -0.516 25953 4541 1 12 . 1 1 544 544 LEU N N 544 119.978 119.978 117.450 2.528 25953 4542 1 12 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.166 -0.079 25953 4543 1 12 . 1 1 544 544 LEU C C 544 179.340 179.340 178.785 0.555 25953 4544 1 12 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.256 0.942 25953 4545 1 12 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.770 -0.159 25953 4546 1 12 . 1 1 544 544 LEU H H 544 8.104 8.104 7.621 0.483 25953 4547 1 12 . 1 1 545 545 GLU N N 545 120.432 120.432 119.606 0.826 25953 4548 1 12 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.158 -0.098 25953 4549 1 12 . 1 1 545 545 GLU C C 545 178.371 178.371 178.855 -0.484 25953 4550 1 12 . 1 1 545 545 GLU CA C 545 58.243 58.243 58.476 -0.233 25953 4551 1 12 . 1 1 545 545 GLU CB C 545 29.565 29.565 30.044 -0.479 25953 4552 1 12 . 1 1 545 545 GLU H H 545 7.995 7.995 7.623 0.372 25953 4553 1 12 . 1 1 546 546 ILE N N 546 119.751 119.751 120.193 -0.442 25953 4554 1 12 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.799 -0.175 25953 4555 1 12 . 1 1 546 546 ILE C C 546 178.857 178.857 177.975 0.882 25953 4556 1 12 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.963 -0.124 25953 4557 1 12 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.766 0.888 25953 4558 1 12 . 1 1 546 546 ILE H H 546 7.828 7.828 7.391 0.437 25953 4559 1 12 . 1 1 547 547 ARG N N 547 120.304 120.304 118.163 2.141 25953 4560 1 12 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.125 0.232 25953 4561 1 12 . 1 1 547 547 ARG C C 547 176.842 176.842 177.979 -1.137 25953 4562 1 12 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.240 -0.365 25953 4563 1 12 . 1 1 547 547 ARG CB C 547 30.460 30.460 29.632 0.828 25953 4564 1 12 . 1 1 547 547 ARG H H 547 8.313 8.313 8.048 0.265 25953 4565 1 12 . 1 1 548 548 GLY N N 548 104.777 104.777 105.488 -0.711 25953 4566 1 12 . 1 1 548 548 GLY C C 548 175.105 175.105 175.036 0.069 25953 4567 1 12 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.022 0.438 25953 4568 1 12 . 1 1 548 548 GLY H H 548 7.823 7.823 7.762 0.061 25953 4569 1 12 . 1 1 549 549 LYS N N 549 122.134 122.134 122.291 -0.157 25953 4570 1 12 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.503 -0.126 25953 4571 1 12 . 1 1 549 549 LYS C C 549 175.156 175.156 175.497 -0.341 25953 4572 1 12 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.549 0.824 25953 4573 1 12 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.257 -1.110 25953 4574 1 12 . 1 1 549 549 LYS H H 549 7.257 7.257 7.744 -0.487 25953 4575 1 12 . 1 1 550 550 TYR N N 550 117.482 117.482 118.458 -0.976 25953 4576 1 12 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.719 0.039 25953 4577 1 12 . 1 1 550 550 TYR C C 550 174.650 174.650 174.062 0.588 25953 4578 1 12 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.139 -0.109 25953 4579 1 12 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.747 0.480 25953 4580 1 12 . 1 1 550 550 TYR H H 550 8.108 8.108 7.994 0.114 25953 4581 1 12 . 1 1 551 551 VAL N N 551 117.964 117.964 113.509 4.455 25953 4582 1 12 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.458 0.001 25953 4583 1 12 . 1 1 551 551 VAL C C 551 174.974 174.974 174.233 0.741 25953 4584 1 12 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.109 -1.071 25953 4585 1 12 . 1 1 551 551 VAL CB C 551 36.793 36.793 36.174 0.619 25953 4586 1 12 . 1 1 551 551 VAL H H 551 8.549 8.549 8.555 -0.006 25953 4587 1 12 . 1 1 552 552 VAL N N 552 126.679 126.679 125.084 1.595 25953 4588 1 12 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.483 -0.324 25953 4589 1 12 . 1 1 552 552 VAL C C 552 175.545 175.545 175.473 0.072 25953 4590 1 12 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.335 0.817 25953 4591 1 12 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.692 -0.734 25953 4592 1 12 . 1 1 552 552 VAL H H 552 8.642 8.642 8.362 0.280 25953 4593 1 12 . 1 1 553 553 VAL N N 553 129.744 129.744 127.588 2.156 25953 4594 1 12 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.175 -1.716 25953 4595 1 12 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.209 2.959 25953 4596 1 12 . 1 1 553 553 VAL CB C 553 31.384 31.384 34.871 -3.487 25953 4597 1 12 . 1 1 553 553 VAL H H 553 8.341 8.341 8.413 -0.072 25953 4598 1 12 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.695 -0.307 25953 4599 1 12 . 1 1 554 554 PRO C C 554 178.374 178.374 176.719 1.655 25953 4600 1 12 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.287 0.289 25953 4601 1 12 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.691 0.064 25953 4602 1 12 . 1 1 555 555 GLU N N 555 122.440 122.440 121.892 0.548 25953 4603 1 12 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.892 0.162 25953 4604 1 12 . 1 1 555 555 GLU C C 555 176.757 176.757 177.975 -1.218 25953 4605 1 12 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.668 -0.167 25953 4606 1 12 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.293 1.120 25953 4607 1 12 . 1 1 555 555 GLU H H 555 8.904 8.904 8.819 0.085 25953 4608 1 12 . 1 1 556 556 THR N N 556 104.703 104.703 110.506 -5.803 25953 4609 1 12 . 1 1 556 556 THR HA H 556 4.152 4.152 4.235 -0.083 25953 4610 1 12 . 1 1 556 556 THR C C 556 175.161 175.161 175.733 -0.572 25953 4611 1 12 . 1 1 556 556 THR CA C 556 61.379 61.379 63.286 -1.907 25953 4612 1 12 . 1 1 556 556 THR CB C 556 68.976 68.976 68.560 0.416 25953 4613 1 12 . 1 1 556 556 THR H H 556 7.160 7.160 8.053 -0.893 25953 4614 1 12 . 1 1 557 557 SER N N 557 116.705 116.705 116.879 -0.174 25953 4615 1 12 . 1 1 557 557 SER HA H 557 4.529 4.529 4.242 0.287 25953 4616 1 12 . 1 1 557 557 SER C C 557 175.325 175.325 174.334 0.991 25953 4617 1 12 . 1 1 557 557 SER CA C 557 58.036 58.036 59.458 -1.422 25953 4618 1 12 . 1 1 557 557 SER CB C 557 63.214 63.214 63.606 -0.392 25953 4619 1 12 . 1 1 557 557 SER H H 557 7.405 7.405 7.420 -0.015 25953 4620 1 12 . 1 1 558 558 GLN N N 558 127.356 127.356 119.492 7.864 25953 4621 1 12 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.140 0.029 25953 4622 1 12 . 1 1 558 558 GLN C C 558 176.491 176.491 175.518 0.973 25953 4623 1 12 . 1 1 558 558 GLN CA C 558 57.594 57.594 56.351 1.243 25953 4624 1 12 . 1 1 558 558 GLN CB C 558 28.773 28.773 27.024 1.749 25953 4625 1 12 . 1 1 558 558 GLN H H 558 8.915 8.915 7.656 1.259 25953 4626 1 12 . 1 1 559 559 ASP N N 559 116.840 116.840 121.507 -4.667 25953 4627 1 12 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.158 0.327 25953 4628 1 12 . 1 1 559 559 ASP C C 559 175.554 175.554 176.073 -0.519 25953 4629 1 12 . 1 1 559 559 ASP CA C 559 53.203 53.203 55.467 -2.264 25953 4630 1 12 . 1 1 559 559 ASP CB C 559 40.526 40.526 40.853 -0.327 25953 4631 1 12 . 1 1 559 559 ASP H H 559 8.275 8.275 9.130 -0.855 25953 4632 1 12 . 1 1 560 560 MET N N 560 112.866 112.866 111.731 1.135 25953 4633 1 12 . 1 1 560 560 MET HA H 560 3.899 3.899 3.805 0.094 25953 4634 1 12 . 1 1 560 560 MET C C 560 175.044 175.044 174.712 0.332 25953 4635 1 12 . 1 1 560 560 MET CA C 560 56.400 56.400 56.626 -0.226 25953 4636 1 12 . 1 1 560 560 MET CB C 560 30.933 30.933 29.894 1.039 25953 4637 1 12 . 1 1 560 560 MET H H 560 7.935 7.935 7.620 0.315 25953 4638 1 12 . 1 1 561 561 ALA N N 561 122.207 122.207 119.543 2.664 25953 4639 1 12 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.714 0.197 25953 4640 1 12 . 1 1 561 561 ALA C C 561 176.577 176.577 175.611 0.966 25953 4641 1 12 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.563 -0.586 25953 4642 1 12 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.452 0.835 25953 4643 1 12 . 1 1 561 561 ALA H H 561 7.910 7.910 7.509 0.401 25953 4644 1 12 . 1 1 562 562 PHE N N 562 117.027 117.027 123.413 -6.386 25953 4645 1 12 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.740 -0.104 25953 4646 1 12 . 1 1 562 562 PHE C C 562 170.988 170.988 173.236 -2.248 25953 4647 1 12 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.348 -1.118 25953 4648 1 12 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.526 -2.480 25953 4649 1 12 . 1 1 562 562 PHE H H 562 8.075 8.075 8.798 -0.723 25953 4650 1 12 . 1 1 563 563 LYS N N 563 120.420 120.420 125.342 -4.922 25953 4651 1 12 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.505 -0.005 25953 4652 1 12 . 1 1 563 563 LYS C C 563 176.093 176.093 175.223 0.870 25953 4653 1 12 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.775 -0.973 25953 4654 1 12 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.877 0.802 25953 4655 1 12 . 1 1 563 563 LYS H H 563 8.392 8.392 7.000 1.392 25953 4656 1 12 . 1 1 564 564 N N 564 132.535 132.535 10007.700 -9875.170 25953 4657 1 12 . 1 1 564 564 HA H 564 4.639 4.639 9999.030 -9994.390 25953 4658 1 12 . 1 1 564 564 C C 564 175.820 175.820 9998.000 -9822.180 25953 4659 1 12 . 1 1 564 564 CA C 564 57.545 57.545 9996.080 -9938.540 25953 4660 1 12 . 1 1 564 564 CB C 564 30.650 30.650 9998.540 -9967.890 25953 4661 1 12 . 1 1 564 564 H H 564 8.456 8.456 9999.330 -9990.870 25953 4662 1 12 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.353 0.027 25953 4663 1 12 . 1 1 565 565 PRO C C 565 177.300 177.300 176.927 0.373 25953 4664 1 12 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.880 -0.487 25953 4665 1 12 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.725 1.280 25953 4666 1 12 . 1 1 566 566 ILE N N 566 118.529 118.529 119.023 -0.494 25953 4667 1 12 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.969 0.162 25953 4668 1 12 . 1 1 566 566 ILE C C 566 176.361 176.361 177.615 -1.254 25953 4669 1 12 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.840 -0.141 25953 4670 1 12 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.404 0.393 25953 4671 1 12 . 1 1 566 566 ILE H H 566 8.528 8.528 8.079 0.449 25953 4672 1 12 . 1 1 567 567 N N 567 116.646 116.646 9994.070 -9877.420 25953 4673 1 12 . 1 1 567 567 HA H 567 4.932 4.932 9999.400 -9994.470 25953 4674 1 12 . 1 1 567 567 C C 567 176.175 176.175 9999.130 -9822.960 25953 4675 1 12 . 1 1 567 567 CA C 567 58.801 58.801 9997.070 -9938.270 25953 4676 1 12 . 1 1 567 567 CB C 567 31.243 31.243 10000.600 -9969.360 25953 4677 1 12 . 1 1 567 567 H H 567 7.770 7.770 9998.610 -9990.840 25953 4678 1 12 . 1 1 568 568 LYS N N 568 116.867 116.867 119.641 -2.774 25953 4679 1 12 . 1 1 568 568 LYS HA H 568 4.015 4.015 3.986 0.029 25953 4680 1 12 . 1 1 568 568 LYS C C 568 175.290 175.290 175.323 -0.033 25953 4681 1 12 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.620 0.254 25953 4682 1 12 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.950 -1.315 25953 4683 1 12 . 1 1 568 568 LYS H H 568 8.038 8.038 8.207 -0.169 25953 4684 1 12 . 1 1 569 569 GLU N N 569 120.683 120.683 118.344 2.339 25953 4685 1 12 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.647 -0.175 25953 4686 1 12 . 1 1 569 569 GLU C C 569 175.851 175.851 175.534 0.317 25953 4687 1 12 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.689 1.512 25953 4688 1 12 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.931 -1.589 25953 4689 1 12 . 1 1 569 569 GLU H H 569 8.380 8.380 7.652 0.728 25953 4690 1 12 . 1 1 570 570 THR N N 570 118.082 118.082 120.120 -2.038 25953 4691 1 12 . 1 1 570 570 THR HA H 570 4.378 4.378 4.713 -0.335 25953 4692 1 12 . 1 1 570 570 THR C C 570 174.070 174.070 174.304 -0.234 25953 4693 1 12 . 1 1 570 570 THR CA C 570 63.174 63.174 62.401 0.773 25953 4694 1 12 . 1 1 570 570 THR CB C 570 69.853 69.853 69.456 0.397 25953 4695 1 12 . 1 1 570 570 THR H H 570 8.565 8.565 8.543 0.022 25953 4696 1 12 . 1 1 571 571 VAL N N 571 132.533 132.533 127.892 4.641 25953 4697 1 12 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.433 -0.562 25953 4698 1 12 . 1 1 571 571 VAL C C 571 174.198 174.198 174.380 -0.182 25953 4699 1 12 . 1 1 571 571 VAL CA C 571 62.070 62.070 61.615 0.455 25953 4700 1 12 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.483 -1.552 25953 4701 1 12 . 1 1 571 571 VAL H H 571 8.740 8.740 8.614 0.126 25953 4702 1 12 . 1 1 572 572 THR N N 572 116.229 116.229 119.645 -3.416 25953 4703 1 12 . 1 1 572 572 THR HA H 572 5.243 5.243 5.584 -0.341 25953 4704 1 12 . 1 1 572 572 THR C C 572 175.803 175.803 174.814 0.989 25953 4705 1 12 . 1 1 572 572 THR CA C 572 60.095 60.095 60.541 -0.446 25953 4706 1 12 . 1 1 572 572 THR CB C 572 70.889 70.889 71.971 -1.082 25953 4707 1 12 . 1 1 572 572 THR H H 572 8.089 8.089 8.393 -0.304 25953 4708 1 12 . 1 1 573 573 GLY N N 573 110.544 110.544 112.661 -2.117 25953 4709 1 12 . 1 1 573 573 GLY C C 573 172.769 172.769 173.914 -1.145 25953 4710 1 12 . 1 1 573 573 GLY CA C 573 46.434 46.434 45.292 1.142 25953 4711 1 12 . 1 1 573 573 GLY H H 573 8.871 8.871 8.427 0.444 25953 4712 1 12 . 1 1 574 574 VAL N N 574 120.833 120.833 119.298 1.535 25953 4713 1 12 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.859 -0.032 25953 4714 1 12 . 1 1 574 574 VAL C C 574 173.472 173.472 173.843 -0.371 25953 4715 1 12 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.323 0.678 25953 4716 1 12 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.670 -0.031 25953 4717 1 12 . 1 1 574 574 VAL H H 574 9.473 9.473 8.888 0.585 25953 4718 1 12 . 1 1 575 575 TYR N N 575 126.796 126.796 125.350 1.446 25953 4719 1 12 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.214 -0.653 25953 4720 1 12 . 1 1 575 575 TYR C C 575 174.622 174.622 174.696 -0.074 25953 4721 1 12 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.135 0.097 25953 4722 1 12 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.538 -1.274 25953 4723 1 12 . 1 1 575 575 TYR H H 575 8.410 8.410 8.696 -0.286 25953 4724 1 12 . 1 1 576 576 ASP N N 576 130.548 130.548 127.430 3.118 25953 4725 1 12 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.487 -0.057 25953 4726 1 12 . 1 1 576 576 ASP C C 576 174.399 174.399 175.672 -1.273 25953 4727 1 12 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.630 -0.121 25953 4728 1 12 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.328 -0.316 25953 4729 1 12 . 1 1 576 576 ASP H H 576 8.228 8.228 8.306 -0.078 25953 4730 1 12 . 1 1 577 577 GLU N N 577 125.178 125.178 124.992 0.186 25953 4731 1 12 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.131 -0.552 25953 4732 1 12 . 1 1 577 577 GLU C C 577 178.103 178.103 176.923 1.180 25953 4733 1 12 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.805 0.902 25953 4734 1 12 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.886 -0.376 25953 4735 1 12 . 1 1 577 577 GLU H H 577 8.480 8.480 8.745 -0.265 25953 4736 1 12 . 1 1 578 578 GLU N N 578 117.933 117.933 118.748 -0.815 25953 4737 1 12 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.163 -0.194 25953 4738 1 12 . 1 1 578 578 GLU C C 578 177.632 177.632 177.724 -0.092 25953 4739 1 12 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.111 0.929 25953 4740 1 12 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.948 -0.562 25953 4741 1 12 . 1 1 578 578 GLU H H 578 8.126 8.126 7.908 0.218 25953 4742 1 12 . 1 1 579 579 SER N N 579 111.483 111.483 113.258 -1.775 25953 4743 1 12 . 1 1 579 579 SER HA H 579 4.343 4.343 4.418 -0.075 25953 4744 1 12 . 1 1 579 579 SER C C 579 176.070 176.070 175.303 0.767 25953 4745 1 12 . 1 1 579 579 SER CA C 579 58.557 58.557 58.724 -0.167 25953 4746 1 12 . 1 1 579 579 SER CB C 579 64.809 64.809 64.579 0.230 25953 4747 1 12 . 1 1 579 579 SER H H 579 7.510 7.510 8.227 -0.717 25953 4748 1 12 . 1 1 580 580 GLY N N 580 113.307 113.307 109.632 3.675 25953 4749 1 12 . 1 1 580 580 GLY C C 580 173.600 173.600 173.070 0.530 25953 4750 1 12 . 1 1 580 580 GLY CA C 580 46.106 46.106 44.926 1.180 25953 4751 1 12 . 1 1 580 580 GLY H H 580 8.196 8.196 7.588 0.608 25953 4752 1 12 . 1 1 581 581 GLU N N 581 116.623 116.623 116.425 0.198 25953 4753 1 12 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.726 -0.021 25953 4754 1 12 . 1 1 581 581 GLU C C 581 174.750 174.750 174.396 0.354 25953 4755 1 12 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.553 0.316 25953 4756 1 12 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.758 -0.148 25953 4757 1 12 . 1 1 581 581 GLU H H 581 6.994 6.994 7.336 -0.342 25953 4758 1 12 . 1 1 582 582 TRP N N 582 122.364 122.364 120.426 1.938 25953 4759 1 12 . 1 1 582 582 TRP HA H 582 4.801 4.801 4.973 -0.172 25953 4760 1 12 . 1 1 582 582 TRP C C 582 176.750 176.750 176.307 0.443 25953 4761 1 12 . 1 1 582 582 TRP CA C 582 57.033 57.033 58.297 -1.264 25953 4762 1 12 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.321 -1.464 25953 4763 1 12 . 1 1 582 582 TRP H H 582 8.841 8.841 8.843 -0.002 25953 4764 1 12 . 1 1 583 583 VAL N N 583 115.147 115.147 119.845 -4.698 25953 4765 1 12 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.054 0.062 25953 4766 1 12 . 1 1 583 583 VAL C C 583 175.063 175.063 174.250 0.813 25953 4767 1 12 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.318 -0.920 25953 4768 1 12 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.925 -0.156 25953 4769 1 12 . 1 1 583 583 VAL H H 583 9.440 9.440 9.358 0.082 25953 4770 1 12 . 1 1 584 584 TRP N N 584 123.710 123.710 125.155 -1.445 25953 4771 1 12 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.165 0.085 25953 4772 1 12 . 1 1 584 584 TRP C C 584 176.436 176.436 174.855 1.581 25953 4773 1 12 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.932 -0.531 25953 4774 1 12 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.765 -2.322 25953 4775 1 12 . 1 1 584 584 TRP H H 584 9.295 9.295 9.197 0.098 25953 4776 1 12 . 1 1 585 585 LYS N N 585 122.031 122.031 124.221 -2.190 25953 4777 1 12 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.688 -0.125 25953 4778 1 12 . 1 1 585 585 LYS C C 585 178.886 178.886 176.758 2.128 25953 4779 1 12 . 1 1 585 585 LYS CA C 585 56.313 56.313 55.170 1.143 25953 4780 1 12 . 1 1 585 585 LYS CB C 585 33.433 33.433 35.005 -1.572 25953 4781 1 12 . 1 1 585 585 LYS H H 585 8.689 8.689 8.695 -0.006 25953 4782 1 12 . 1 1 586 586 ASN N N 586 123.634 123.634 120.493 3.141 25953 4783 1 12 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.507 0.396 25953 4784 1 12 . 1 1 586 586 ASN C C 586 176.043 176.043 173.909 2.134 25953 4785 1 12 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.345 0.357 25953 4786 1 12 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.569 -0.518 25953 4787 1 12 . 1 1 586 586 ASN H H 586 8.830 8.830 8.902 -0.072 25953 4788 1 12 . 1 1 587 587 THR N N 587 114.536 114.536 113.913 0.623 25953 4789 1 12 . 1 1 587 587 THR HA H 587 5.482 5.482 5.246 0.236 25953 4790 1 12 . 1 1 587 587 THR C C 587 171.882 171.882 173.195 -1.313 25953 4791 1 12 . 1 1 587 587 THR CA C 587 63.252 63.252 61.349 1.903 25953 4792 1 12 . 1 1 587 587 THR CB C 587 73.106 73.106 72.348 0.758 25953 4793 1 12 . 1 1 587 587 THR H H 587 8.179 8.179 7.885 0.294 25953 4794 1 12 . 1 1 588 588 ILE N N 588 120.751 120.751 121.878 -1.127 25953 4795 1 12 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.438 -0.007 25953 4796 1 12 . 1 1 588 588 ILE C C 588 171.550 171.550 172.922 -1.372 25953 4797 1 12 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.524 -0.564 25953 4798 1 12 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.641 1.711 25953 4799 1 12 . 1 1 588 588 ILE H H 588 8.984 8.984 9.213 -0.229 25953 4800 1 12 . 1 1 589 589 GLU N N 589 125.535 125.535 128.634 -3.099 25953 4801 1 12 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.546 0.265 25953 4802 1 12 . 1 1 589 589 GLU C C 589 175.587 175.587 174.618 0.969 25953 4803 1 12 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.386 -0.226 25953 4804 1 12 . 1 1 589 589 GLU CB C 589 31.623 31.623 30.941 0.682 25953 4805 1 12 . 1 1 589 589 GLU H H 589 8.337 8.337 8.272 0.065 25953 4806 1 12 . 1 1 590 590 VAL N N 590 126.684 126.684 123.897 2.787 25953 4807 1 12 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.310 -0.323 25953 4808 1 12 . 1 1 590 590 VAL C C 590 176.078 176.078 175.306 0.772 25953 4809 1 12 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.359 0.215 25953 4810 1 12 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.452 -0.624 25953 4811 1 12 . 1 1 590 590 VAL H H 590 9.013 9.013 8.865 0.148 25953 4812 1 12 . 1 1 591 591 ASN N N 591 127.075 127.075 125.976 1.099 25953 4813 1 12 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.352 -0.049 25953 4814 1 12 . 1 1 591 591 ASN C C 591 175.223 175.223 174.969 0.254 25953 4815 1 12 . 1 1 591 591 ASN CA C 591 54.048 54.048 55.066 -1.018 25953 4816 1 12 . 1 1 591 591 ASN CB C 591 37.769 37.769 37.387 0.382 25953 4817 1 12 . 1 1 591 591 ASN H H 591 9.347 9.347 9.066 0.281 25953 4818 1 12 . 1 1 592 592 GLY N N 592 104.628 104.628 104.148 0.480 25953 4819 1 12 . 1 1 592 592 GLY C C 592 172.842 172.842 174.317 -1.475 25953 4820 1 12 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.639 0.642 25953 4821 1 12 . 1 1 592 592 GLY H H 592 8.990 8.990 8.097 0.893 25953 4822 1 12 . 1 1 593 593 LYS N N 593 120.387 120.387 120.604 -0.217 25953 4823 1 12 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.503 -0.316 25953 4824 1 12 . 1 1 593 593 LYS C C 593 173.344 173.344 175.290 -1.946 25953 4825 1 12 . 1 1 593 593 LYS CA C 593 54.139 54.139 56.379 -2.240 25953 4826 1 12 . 1 1 593 593 LYS CB C 593 34.946 34.946 33.907 1.039 25953 4827 1 12 . 1 1 593 593 LYS H H 593 7.485 7.485 7.891 -0.406 25953 4828 1 12 . 1 1 594 594 TYR N N 594 119.730 119.730 119.028 0.702 25953 4829 1 12 . 1 1 594 594 TYR HA H 594 4.831 4.831 5.028 -0.197 25953 4830 1 12 . 1 1 594 594 TYR C C 594 173.851 173.851 175.607 -1.756 25953 4831 1 12 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.255 -0.327 25953 4832 1 12 . 1 1 594 594 TYR CB C 594 37.574 37.574 42.084 -4.510 25953 4833 1 12 . 1 1 594 594 TYR H H 594 7.092 7.092 8.388 -1.296 25953 4834 1 12 . 1 1 595 595 PHE N N 595 116.435 116.435 117.802 -1.367 25953 4835 1 12 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.831 0.207 25953 4836 1 12 . 1 1 595 595 PHE C C 595 177.013 177.013 174.206 2.807 25953 4837 1 12 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.160 -1.632 25953 4838 1 12 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.414 0.984 25953 4839 1 12 . 1 1 595 595 PHE H H 595 8.459 8.459 9.007 -0.548 25953 4840 1 12 . 1 1 596 596 N N 596 118.187 118.187 10001.100 -9882.910 25953 4841 1 12 . 1 1 596 596 HA H 596 6.064 6.064 9999.610 -9993.550 25953 4842 1 12 . 1 1 596 596 CA C 596 58.668 58.668 9998.790 -9940.120 25953 4843 1 12 . 1 1 596 596 CB C 596 32.486 32.486 10000.900 -9968.410 25953 4844 1 12 . 1 1 596 596 H H 596 9.113 9.113 9999.670 -9990.560 25953 4845 1 12 . 1 1 597 597 SER N N 597 118.403 118.403 120.495 -2.092 25953 4846 1 12 . 1 1 597 597 SER HA H 597 4.798 4.798 4.315 0.483 25953 4847 1 12 . 1 1 597 597 SER C C 597 179.336 179.336 176.632 2.704 25953 4848 1 12 . 1 1 597 597 SER CA C 597 60.633 60.633 62.202 -1.569 25953 4849 1 12 . 1 1 597 597 SER CB C 597 62.965 62.965 63.486 -0.521 25953 4850 1 12 . 1 1 597 597 SER H H 597 8.110 8.110 8.999 -0.889 25953 4851 1 12 . 1 1 598 598 THR N N 598 111.927 111.927 115.849 -3.922 25953 4852 1 12 . 1 1 598 598 THR HA H 598 3.991 3.991 4.163 -0.172 25953 4853 1 12 . 1 1 598 598 THR C C 598 178.244 178.244 175.833 2.411 25953 4854 1 12 . 1 1 598 598 THR CA C 598 64.766 64.766 65.000 -0.234 25953 4855 1 12 . 1 1 598 598 THR CB C 598 67.467 67.467 68.223 -0.756 25953 4856 1 12 . 1 1 598 598 THR H H 598 9.120 9.120 8.656 0.464 25953 4857 1 12 . 1 1 599 599 N N 599 117.596 117.596 9999.470 -9881.870 25953 4858 1 12 . 1 1 599 599 HA H 599 4.055 4.055 9998.960 -9994.910 25953 4859 1 12 . 1 1 599 599 C C 599 177.266 177.266 10000.600 -9823.330 25953 4860 1 12 . 1 1 599 599 CA C 599 63.602 63.602 10002.100 -9938.500 25953 4861 1 12 . 1 1 599 599 CB C 599 30.014 30.014 9997.740 -9967.730 25953 4862 1 12 . 1 1 599 599 H H 599 6.935 6.935 9998.820 -9991.890 25953 4863 1 12 . 1 1 600 600 TYR N N 600 119.532 119.532 121.380 -1.848 25953 4864 1 12 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.952 -0.355 25953 4865 1 12 . 1 1 600 600 TYR C C 600 177.533 177.533 177.155 0.378 25953 4866 1 12 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.532 0.602 25953 4867 1 12 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.169 1.252 25953 4868 1 12 . 1 1 600 600 TYR H H 600 8.396 8.396 8.805 -0.409 25953 4869 1 12 . 1 1 601 601 N N 601 117.457 117.457 9999.120 -9881.660 25953 4870 1 12 . 1 1 601 601 HA H 601 4.126 4.126 9998.660 -9994.530 25953 4871 1 12 . 1 1 601 601 CA C 601 60.119 60.119 10002.800 -9942.680 25953 4872 1 12 . 1 1 601 601 CB C 601 29.903 29.903 9999.070 -9969.170 25953 4873 1 12 . 1 1 601 601 H H 601 8.417 8.417 9999.290 -9990.870 25953 4874 1 12 . 1 1 602 602 GLU N N 602 118.228 118.228 117.537 0.691 25953 4875 1 12 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.164 -0.083 25953 4876 1 12 . 1 1 602 602 GLU C C 602 177.912 177.912 178.382 -0.470 25953 4877 1 12 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.153 0.007 25953 4878 1 12 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.796 -0.063 25953 4879 1 12 . 1 1 602 602 GLU H H 602 8.094 8.094 7.881 0.213 25953 4880 1 12 . 1 1 603 603 THR N N 603 111.252 111.252 114.330 -3.078 25953 4881 1 12 . 1 1 603 603 THR HA H 603 4.265 4.265 4.127 0.138 25953 4882 1 12 . 1 1 603 603 THR C C 603 175.279 175.279 175.034 0.245 25953 4883 1 12 . 1 1 603 603 THR CA C 603 63.116 63.116 64.814 -1.698 25953 4884 1 12 . 1 1 603 603 THR CB C 603 69.801 69.801 69.538 0.263 25953 4885 1 12 . 1 1 603 603 THR H H 603 7.578 7.578 7.426 0.152 25953 4886 1 12 . 1 1 604 604 SER N N 604 117.291 117.291 115.696 1.595 25953 4887 1 12 . 1 1 604 604 SER HA H 604 4.221 4.221 3.237 0.984 25953 4888 1 12 . 1 1 604 604 SER C C 604 174.838 174.838 173.829 1.009 25953 4889 1 12 . 1 1 604 604 SER CA C 604 59.105 59.105 59.190 -0.084 25953 4890 1 12 . 1 1 604 604 SER CB C 604 63.387 63.387 62.067 1.320 25953 4891 1 12 . 1 1 604 604 SER H H 604 7.849 7.849 7.656 0.193 25953 4892 1 12 . 1 1 605 605 GLN N N 605 120.747 120.747 121.896 -1.149 25953 4893 1 12 . 1 1 605 605 GLN C C 605 175.801 175.801 175.797 0.004 25953 4894 1 12 . 1 1 605 605 GLN CA C 605 56.080 56.080 56.616 -0.536 25953 4895 1 12 . 1 1 605 605 GLN CB C 605 28.926 28.926 29.049 -0.123 25953 4896 1 12 . 1 1 605 605 GLN H H 605 7.971 7.971 8.220 -0.249 25953 4897 1 13 . 1 1 535 535 SER HA H 535 4.465 4.465 4.485 -0.020 25953 4898 1 13 . 1 1 535 535 SER C C 535 174.718 174.718 174.927 -0.209 25953 4899 1 13 . 1 1 535 535 SER CA C 535 58.323 58.323 57.934 0.389 25953 4900 1 13 . 1 1 535 535 SER CB C 535 63.845 63.845 63.896 -0.051 25953 4901 1 13 . 1 1 536 536 GLU N N 536 122.899 122.899 123.943 -1.044 25953 4902 1 13 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.390 -0.189 25953 4903 1 13 . 1 1 536 536 GLU C C 536 176.241 176.241 175.210 1.031 25953 4904 1 13 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.731 0.346 25953 4905 1 13 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.096 -0.264 25953 4906 1 13 . 1 1 536 536 GLU H H 536 8.638 8.638 8.509 0.129 25953 4907 1 13 . 1 1 537 537 PHE N N 537 120.390 120.390 121.249 -0.859 25953 4908 1 13 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.614 0.027 25953 4909 1 13 . 1 1 537 537 PHE C C 537 176.005 176.005 174.448 1.557 25953 4910 1 13 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.235 0.569 25953 4911 1 13 . 1 1 537 537 PHE CB C 537 39.450 39.450 40.929 -1.479 25953 4912 1 13 . 1 1 537 537 PHE H H 537 8.266 8.266 8.094 0.172 25953 4913 1 13 . 1 1 538 538 SER N N 538 117.148 117.148 118.762 -1.614 25953 4914 1 13 . 1 1 538 538 SER HA H 538 4.399 4.399 4.507 -0.108 25953 4915 1 13 . 1 1 538 538 SER C C 538 174.167 174.167 172.344 1.823 25953 4916 1 13 . 1 1 538 538 SER CA C 538 58.437 58.437 57.987 0.450 25953 4917 1 13 . 1 1 538 538 SER CB C 538 63.956 63.956 63.385 0.571 25953 4918 1 13 . 1 1 538 538 SER H H 538 8.194 8.194 7.011 1.183 25953 4919 1 13 . 1 1 539 539 ASP N N 539 122.404 122.404 125.597 -3.193 25953 4920 1 13 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.720 -0.134 25953 4921 1 13 . 1 1 539 539 ASP C C 539 176.496 176.496 175.472 1.024 25953 4922 1 13 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.074 0.397 25953 4923 1 13 . 1 1 539 539 ASP CB C 539 41.021 41.021 40.727 0.294 25953 4924 1 13 . 1 1 539 539 ASP H H 539 8.333 8.333 8.511 -0.178 25953 4925 1 13 . 1 1 540 540 ARG N N 540 121.337 121.337 124.224 -2.887 25953 4926 1 13 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.580 -0.217 25953 4927 1 13 . 1 1 540 540 ARG C C 540 176.889 176.889 175.190 1.699 25953 4928 1 13 . 1 1 540 540 ARG CA C 540 56.406 56.406 54.672 1.734 25953 4929 1 13 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.728 -0.363 25953 4930 1 13 . 1 1 540 540 ARG H H 540 8.293 8.293 7.732 0.561 25953 4931 1 13 . 1 1 541 541 SER N N 541 116.606 116.606 114.854 1.752 25953 4932 1 13 . 1 1 541 541 SER HA H 541 4.319 4.319 4.470 -0.151 25953 4933 1 13 . 1 1 541 541 SER C C 541 175.060 175.060 175.752 -0.692 25953 4934 1 13 . 1 1 541 541 SER CA C 541 59.655 59.655 57.376 2.279 25953 4935 1 13 . 1 1 541 541 SER CB C 541 63.417 63.417 64.105 -0.688 25953 4936 1 13 . 1 1 541 541 SER H H 541 8.369 8.369 8.475 -0.106 25953 4937 1 13 . 1 1 542 542 ASN N N 542 120.759 120.759 121.304 -0.545 25953 4938 1 13 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.587 0.113 25953 4939 1 13 . 1 1 542 542 ASN C C 542 175.903 175.903 176.634 -0.731 25953 4940 1 13 . 1 1 542 542 ASN CA C 542 53.788 53.788 53.985 -0.197 25953 4941 1 13 . 1 1 542 542 ASN CB C 542 38.728 38.728 37.979 0.749 25953 4942 1 13 . 1 1 542 542 ASN H H 542 8.451 8.451 8.824 -0.373 25953 4943 1 13 . 1 1 543 543 GLU N N 543 120.886 120.886 120.944 -0.058 25953 4944 1 13 . 1 1 543 543 GLU HA H 543 3.991 3.991 3.981 0.010 25953 4945 1 13 . 1 1 543 543 GLU C C 543 177.658 177.658 177.902 -0.244 25953 4946 1 13 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.732 0.057 25953 4947 1 13 . 1 1 543 543 GLU CB C 543 29.754 29.754 28.914 0.840 25953 4948 1 13 . 1 1 543 543 GLU H H 543 8.257 8.257 7.745 0.512 25953 4949 1 13 . 1 1 544 544 LEU N N 544 119.978 119.978 119.861 0.117 25953 4950 1 13 . 1 1 544 544 LEU HA H 544 4.087 4.087 3.937 0.150 25953 4951 1 13 . 1 1 544 544 LEU C C 544 179.340 179.340 179.147 0.193 25953 4952 1 13 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.124 0.074 25953 4953 1 13 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.470 0.141 25953 4954 1 13 . 1 1 544 544 LEU H H 544 8.104 8.104 7.763 0.341 25953 4955 1 13 . 1 1 545 545 GLU N N 545 120.432 120.432 119.698 0.734 25953 4956 1 13 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.058 0.002 25953 4957 1 13 . 1 1 545 545 GLU C C 545 178.371 178.371 178.674 -0.303 25953 4958 1 13 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.205 -0.962 25953 4959 1 13 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.781 -0.216 25953 4960 1 13 . 1 1 545 545 GLU H H 545 7.995 7.995 7.674 0.321 25953 4961 1 13 . 1 1 546 546 ILE N N 546 119.751 119.751 118.482 1.269 25953 4962 1 13 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.771 -0.147 25953 4963 1 13 . 1 1 546 546 ILE C C 546 178.857 178.857 178.035 0.822 25953 4964 1 13 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.691 0.148 25953 4965 1 13 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.630 0.024 25953 4966 1 13 . 1 1 546 546 ILE H H 546 7.828 7.828 7.198 0.630 25953 4967 1 13 . 1 1 547 547 ARG N N 547 120.304 120.304 119.797 0.507 25953 4968 1 13 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.310 0.047 25953 4969 1 13 . 1 1 547 547 ARG C C 547 176.842 176.842 178.507 -1.665 25953 4970 1 13 . 1 1 547 547 ARG CA C 547 57.875 57.875 59.012 -1.137 25953 4971 1 13 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.074 0.386 25953 4972 1 13 . 1 1 547 547 ARG H H 547 8.313 8.313 8.230 0.083 25953 4973 1 13 . 1 1 548 548 GLY N N 548 104.777 104.777 105.716 -0.939 25953 4974 1 13 . 1 1 548 548 GLY C C 548 175.105 175.105 174.696 0.409 25953 4975 1 13 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.001 0.459 25953 4976 1 13 . 1 1 548 548 GLY H H 548 7.823 7.823 7.540 0.283 25953 4977 1 13 . 1 1 549 549 LYS N N 549 122.134 122.134 121.601 0.533 25953 4978 1 13 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.279 0.098 25953 4979 1 13 . 1 1 549 549 LYS C C 549 175.156 175.156 175.380 -0.224 25953 4980 1 13 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.639 0.734 25953 4981 1 13 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.644 -0.497 25953 4982 1 13 . 1 1 549 549 LYS H H 549 7.257 7.257 7.471 -0.214 25953 4983 1 13 . 1 1 550 550 TYR N N 550 117.482 117.482 117.613 -0.131 25953 4984 1 13 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.789 -0.031 25953 4985 1 13 . 1 1 550 550 TYR C C 550 174.650 174.650 173.882 0.768 25953 4986 1 13 . 1 1 550 550 TYR CA C 550 56.030 56.030 54.614 1.416 25953 4987 1 13 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.707 0.520 25953 4988 1 13 . 1 1 550 550 TYR H H 550 8.108 8.108 8.174 -0.066 25953 4989 1 13 . 1 1 551 551 VAL N N 551 117.964 117.964 113.899 4.065 25953 4990 1 13 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.512 -0.053 25953 4991 1 13 . 1 1 551 551 VAL C C 551 174.974 174.974 174.428 0.546 25953 4992 1 13 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.006 -0.968 25953 4993 1 13 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.739 1.054 25953 4994 1 13 . 1 1 551 551 VAL H H 551 8.549 8.549 8.186 0.363 25953 4995 1 13 . 1 1 552 552 VAL N N 552 126.679 126.679 125.417 1.262 25953 4996 1 13 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.217 -0.058 25953 4997 1 13 . 1 1 552 552 VAL C C 552 175.545 175.545 175.044 0.501 25953 4998 1 13 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.075 1.077 25953 4999 1 13 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.670 -0.712 25953 5000 1 13 . 1 1 552 552 VAL H H 552 8.642 8.642 8.414 0.228 25953 5001 1 13 . 1 1 553 553 VAL N N 553 129.744 129.744 128.667 1.077 25953 5002 1 13 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.250 -1.791 25953 5003 1 13 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.461 2.707 25953 5004 1 13 . 1 1 553 553 VAL CB C 553 31.384 31.384 34.060 -2.676 25953 5005 1 13 . 1 1 553 553 VAL H H 553 8.341 8.341 8.350 -0.009 25953 5006 1 13 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.610 -0.222 25953 5007 1 13 . 1 1 554 554 PRO C C 554 178.374 178.374 177.721 0.653 25953 5008 1 13 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.606 -0.030 25953 5009 1 13 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.561 0.194 25953 5010 1 13 . 1 1 555 555 GLU N N 555 122.440 122.440 122.412 0.028 25953 5011 1 13 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.871 0.183 25953 5012 1 13 . 1 1 555 555 GLU C C 555 176.757 176.757 176.716 0.041 25953 5013 1 13 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.098 -0.597 25953 5014 1 13 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.293 0.120 25953 5015 1 13 . 1 1 555 555 GLU H H 555 8.904 8.904 8.881 0.023 25953 5016 1 13 . 1 1 556 556 THR N N 556 104.703 104.703 108.205 -3.502 25953 5017 1 13 . 1 1 556 556 THR HA H 556 4.152 4.152 4.158 -0.006 25953 5018 1 13 . 1 1 556 556 THR C C 556 175.161 175.161 174.903 0.258 25953 5019 1 13 . 1 1 556 556 THR CA C 556 61.379 61.379 62.821 -1.442 25953 5020 1 13 . 1 1 556 556 THR CB C 556 68.976 68.976 68.524 0.452 25953 5021 1 13 . 1 1 556 556 THR H H 556 7.160 7.160 7.745 -0.585 25953 5022 1 13 . 1 1 557 557 SER N N 557 116.705 116.705 117.853 -1.148 25953 5023 1 13 . 1 1 557 557 SER HA H 557 4.529 4.529 4.376 0.153 25953 5024 1 13 . 1 1 557 557 SER C C 557 175.325 175.325 174.126 1.199 25953 5025 1 13 . 1 1 557 557 SER CA C 557 58.036 58.036 58.382 -0.346 25953 5026 1 13 . 1 1 557 557 SER CB C 557 63.214 63.214 63.226 -0.012 25953 5027 1 13 . 1 1 557 557 SER H H 557 7.405 7.405 7.415 -0.010 25953 5028 1 13 . 1 1 558 558 GLN N N 558 127.356 127.356 128.778 -1.422 25953 5029 1 13 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.140 0.029 25953 5030 1 13 . 1 1 558 558 GLN C C 558 176.491 176.491 175.928 0.563 25953 5031 1 13 . 1 1 558 558 GLN CA C 558 57.594 57.594 57.395 0.199 25953 5032 1 13 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.946 -0.173 25953 5033 1 13 . 1 1 558 558 GLN H H 558 8.915 8.915 8.641 0.274 25953 5034 1 13 . 1 1 559 559 ASP N N 559 116.840 116.840 121.023 -4.183 25953 5035 1 13 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.155 0.330 25953 5036 1 13 . 1 1 559 559 ASP C C 559 175.554 175.554 176.360 -0.806 25953 5037 1 13 . 1 1 559 559 ASP CA C 559 53.203 53.203 55.335 -2.132 25953 5038 1 13 . 1 1 559 559 ASP CB C 559 40.526 40.526 39.825 0.701 25953 5039 1 13 . 1 1 559 559 ASP H H 559 8.275 8.275 8.939 -0.664 25953 5040 1 13 . 1 1 560 560 MET N N 560 112.866 112.866 113.657 -0.791 25953 5041 1 13 . 1 1 560 560 MET HA H 560 3.899 3.899 3.654 0.245 25953 5042 1 13 . 1 1 560 560 MET C C 560 175.044 175.044 174.343 0.701 25953 5043 1 13 . 1 1 560 560 MET CA C 560 56.400 56.400 56.412 -0.012 25953 5044 1 13 . 1 1 560 560 MET CB C 560 30.933 30.933 30.212 0.721 25953 5045 1 13 . 1 1 560 560 MET H H 560 7.935 7.935 7.849 0.086 25953 5046 1 13 . 1 1 561 561 ALA N N 561 122.207 122.207 119.384 2.823 25953 5047 1 13 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.859 0.052 25953 5048 1 13 . 1 1 561 561 ALA C C 561 176.577 176.577 175.641 0.936 25953 5049 1 13 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.645 -0.668 25953 5050 1 13 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.875 0.412 25953 5051 1 13 . 1 1 561 561 ALA H H 561 7.910 7.910 7.524 0.386 25953 5052 1 13 . 1 1 562 562 PHE N N 562 117.027 117.027 122.473 -5.446 25953 5053 1 13 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.752 -0.116 25953 5054 1 13 . 1 1 562 562 PHE C C 562 170.988 170.988 173.147 -2.159 25953 5055 1 13 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.202 -0.972 25953 5056 1 13 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.214 -2.167 25953 5057 1 13 . 1 1 562 562 PHE H H 562 8.075 8.075 8.571 -0.496 25953 5058 1 13 . 1 1 563 563 LYS N N 563 120.420 120.420 124.966 -4.546 25953 5059 1 13 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.598 -0.098 25953 5060 1 13 . 1 1 563 563 LYS C C 563 176.093 176.093 175.386 0.707 25953 5061 1 13 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.426 -0.624 25953 5062 1 13 . 1 1 563 563 LYS CB C 563 33.679 33.679 33.057 0.622 25953 5063 1 13 . 1 1 563 563 LYS H H 563 8.392 8.392 7.073 1.319 25953 5064 1 13 . 1 1 564 564 N N 564 132.535 132.535 10008.500 -9875.960 25953 5065 1 13 . 1 1 564 564 HA H 564 4.639 4.639 9999.000 -9994.360 25953 5066 1 13 . 1 1 564 564 C C 564 175.820 175.820 9997.680 -9821.860 25953 5067 1 13 . 1 1 564 564 CA C 564 57.545 57.545 9996.790 -9939.250 25953 5068 1 13 . 1 1 564 564 CB C 564 30.650 30.650 9998.120 -9967.470 25953 5069 1 13 . 1 1 564 564 H H 564 8.456 8.456 9999.390 -9990.930 25953 5070 1 13 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.310 0.070 25953 5071 1 13 . 1 1 565 565 PRO C C 565 177.300 177.300 176.612 0.688 25953 5072 1 13 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.632 -0.239 25953 5073 1 13 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.938 1.067 25953 5074 1 13 . 1 1 566 566 ILE N N 566 118.529 118.529 117.015 1.514 25953 5075 1 13 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.985 0.146 25953 5076 1 13 . 1 1 566 566 ILE C C 566 176.361 176.361 177.628 -1.267 25953 5077 1 13 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.203 0.496 25953 5078 1 13 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.548 0.249 25953 5079 1 13 . 1 1 566 566 ILE H H 566 8.528 8.528 7.917 0.611 25953 5080 1 13 . 1 1 567 567 N N 567 116.646 116.646 9993.620 -9876.970 25953 5081 1 13 . 1 1 567 567 HA H 567 4.932 4.932 9999.400 -9994.470 25953 5082 1 13 . 1 1 567 567 C C 567 176.175 176.175 9998.780 -9822.610 25953 5083 1 13 . 1 1 567 567 CA C 567 58.801 58.801 9997.550 -9938.750 25953 5084 1 13 . 1 1 567 567 CB C 567 31.243 31.243 10000.800 -9969.560 25953 5085 1 13 . 1 1 567 567 H H 567 7.770 7.770 9998.660 -9990.890 25953 5086 1 13 . 1 1 568 568 LYS N N 568 116.867 116.867 118.705 -1.838 25953 5087 1 13 . 1 1 568 568 LYS HA H 568 4.015 4.015 3.961 0.054 25953 5088 1 13 . 1 1 568 568 LYS C C 568 175.290 175.290 175.188 0.102 25953 5089 1 13 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.398 0.476 25953 5090 1 13 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.292 -0.657 25953 5091 1 13 . 1 1 568 568 LYS H H 568 8.038 8.038 8.169 -0.131 25953 5092 1 13 . 1 1 569 569 GLU N N 569 120.683 120.683 118.647 2.036 25953 5093 1 13 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.659 -0.187 25953 5094 1 13 . 1 1 569 569 GLU C C 569 175.851 175.851 175.675 0.176 25953 5095 1 13 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.712 1.488 25953 5096 1 13 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.831 -1.488 25953 5097 1 13 . 1 1 569 569 GLU H H 569 8.380 8.380 7.606 0.774 25953 5098 1 13 . 1 1 570 570 THR N N 570 118.082 118.082 119.970 -1.888 25953 5099 1 13 . 1 1 570 570 THR HA H 570 4.378 4.378 4.747 -0.369 25953 5100 1 13 . 1 1 570 570 THR C C 570 174.070 174.070 174.743 -0.673 25953 5101 1 13 . 1 1 570 570 THR CA C 570 63.174 63.174 62.708 0.466 25953 5102 1 13 . 1 1 570 570 THR CB C 570 69.853 69.853 68.898 0.954 25953 5103 1 13 . 1 1 570 570 THR H H 570 8.565 8.565 8.648 -0.083 25953 5104 1 13 . 1 1 571 571 VAL N N 571 132.533 132.533 126.800 5.733 25953 5105 1 13 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.448 -0.577 25953 5106 1 13 . 1 1 571 571 VAL C C 571 174.198 174.198 174.757 -0.559 25953 5107 1 13 . 1 1 571 571 VAL CA C 571 62.070 62.070 61.813 0.257 25953 5108 1 13 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.422 -1.492 25953 5109 1 13 . 1 1 571 571 VAL H H 571 8.740 8.740 8.730 0.010 25953 5110 1 13 . 1 1 572 572 THR N N 572 116.229 116.229 117.016 -0.787 25953 5111 1 13 . 1 1 572 572 THR HA H 572 5.243 5.243 5.386 -0.143 25953 5112 1 13 . 1 1 572 572 THR C C 572 175.803 175.803 174.493 1.310 25953 5113 1 13 . 1 1 572 572 THR CA C 572 60.095 60.095 59.709 0.387 25953 5114 1 13 . 1 1 572 572 THR CB C 572 70.889 70.889 72.490 -1.601 25953 5115 1 13 . 1 1 572 572 THR H H 572 8.089 8.089 8.045 0.044 25953 5116 1 13 . 1 1 573 573 GLY N N 573 110.544 110.544 110.638 -0.094 25953 5117 1 13 . 1 1 573 573 GLY C C 573 172.769 172.769 174.768 -1.999 25953 5118 1 13 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.652 1.782 25953 5119 1 13 . 1 1 573 573 GLY H H 573 8.871 8.871 8.268 0.603 25953 5120 1 13 . 1 1 574 574 VAL N N 574 120.833 120.833 117.273 3.560 25953 5121 1 13 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.703 0.124 25953 5122 1 13 . 1 1 574 574 VAL C C 574 173.472 173.472 174.474 -1.002 25953 5123 1 13 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.886 0.115 25953 5124 1 13 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.533 0.106 25953 5125 1 13 . 1 1 574 574 VAL H H 574 9.473 9.473 8.759 0.714 25953 5126 1 13 . 1 1 575 575 TYR N N 575 126.796 126.796 126.033 0.763 25953 5127 1 13 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.996 -1.435 25953 5128 1 13 . 1 1 575 575 TYR C C 575 174.622 174.622 174.861 -0.239 25953 5129 1 13 . 1 1 575 575 TYR CA C 575 58.232 58.232 56.132 2.100 25953 5130 1 13 . 1 1 575 575 TYR CB C 575 37.264 37.264 37.667 -0.403 25953 5131 1 13 . 1 1 575 575 TYR H H 575 8.410 8.410 8.922 -0.512 25953 5132 1 13 . 1 1 576 576 ASP N N 576 130.548 130.548 128.220 2.328 25953 5133 1 13 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.594 -0.164 25953 5134 1 13 . 1 1 576 576 ASP C C 576 174.399 174.399 175.863 -1.464 25953 5135 1 13 . 1 1 576 576 ASP CA C 576 52.509 52.509 53.909 -1.400 25953 5136 1 13 . 1 1 576 576 ASP CB C 576 42.012 42.012 41.745 0.267 25953 5137 1 13 . 1 1 576 576 ASP H H 576 8.228 8.228 8.675 -0.447 25953 5138 1 13 . 1 1 577 577 GLU N N 577 125.178 125.178 125.257 -0.079 25953 5139 1 13 . 1 1 577 577 GLU HA H 577 3.579 3.579 3.883 -0.304 25953 5140 1 13 . 1 1 577 577 GLU C C 577 178.103 178.103 177.053 1.050 25953 5141 1 13 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.505 1.202 25953 5142 1 13 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.808 -0.298 25953 5143 1 13 . 1 1 577 577 GLU H H 577 8.480 8.480 8.500 -0.020 25953 5144 1 13 . 1 1 578 578 GLU N N 578 117.933 117.933 119.886 -1.953 25953 5145 1 13 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.173 -0.204 25953 5146 1 13 . 1 1 578 578 GLU C C 578 177.632 177.632 178.037 -0.405 25953 5147 1 13 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.517 0.522 25953 5148 1 13 . 1 1 578 578 GLU CB C 578 29.386 29.386 30.038 -0.652 25953 5149 1 13 . 1 1 578 578 GLU H H 578 8.126 8.126 8.071 0.055 25953 5150 1 13 . 1 1 579 579 SER N N 579 111.483 111.483 112.363 -0.880 25953 5151 1 13 . 1 1 579 579 SER HA H 579 4.343 4.343 4.506 -0.163 25953 5152 1 13 . 1 1 579 579 SER C C 579 176.070 176.070 174.642 1.428 25953 5153 1 13 . 1 1 579 579 SER CA C 579 58.557 58.557 58.775 -0.218 25953 5154 1 13 . 1 1 579 579 SER CB C 579 64.809 64.809 64.682 0.127 25953 5155 1 13 . 1 1 579 579 SER H H 579 7.510 7.510 8.514 -1.004 25953 5156 1 13 . 1 1 580 580 GLY N N 580 113.307 113.307 109.480 3.827 25953 5157 1 13 . 1 1 580 580 GLY C C 580 173.600 173.600 173.528 0.072 25953 5158 1 13 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.342 0.764 25953 5159 1 13 . 1 1 580 580 GLY H H 580 8.196 8.196 7.955 0.241 25953 5160 1 13 . 1 1 581 581 GLU N N 581 116.623 116.623 118.265 -1.642 25953 5161 1 13 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.508 0.197 25953 5162 1 13 . 1 1 581 581 GLU C C 581 174.750 174.750 174.606 0.144 25953 5163 1 13 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.753 0.116 25953 5164 1 13 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.538 0.072 25953 5165 1 13 . 1 1 581 581 GLU H H 581 6.994 6.994 7.977 -0.983 25953 5166 1 13 . 1 1 582 582 TRP N N 582 122.364 122.364 117.970 4.394 25953 5167 1 13 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.252 -0.451 25953 5168 1 13 . 1 1 582 582 TRP C C 582 176.750 176.750 176.249 0.501 25953 5169 1 13 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.625 0.408 25953 5170 1 13 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.092 -2.235 25953 5171 1 13 . 1 1 582 582 TRP H H 582 8.841 8.841 8.430 0.411 25953 5172 1 13 . 1 1 583 583 VAL N N 583 115.147 115.147 119.451 -4.304 25953 5173 1 13 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.870 0.246 25953 5174 1 13 . 1 1 583 583 VAL C C 583 175.063 175.063 174.159 0.904 25953 5175 1 13 . 1 1 583 583 VAL CA C 583 59.398 59.398 59.918 -0.520 25953 5176 1 13 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.726 0.043 25953 5177 1 13 . 1 1 583 583 VAL H H 583 9.440 9.440 9.314 0.126 25953 5178 1 13 . 1 1 584 584 TRP N N 584 123.710 123.710 126.533 -2.823 25953 5179 1 13 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.102 0.148 25953 5180 1 13 . 1 1 584 584 TRP C C 584 176.436 176.436 174.745 1.691 25953 5181 1 13 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.846 -0.445 25953 5182 1 13 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.233 -1.790 25953 5183 1 13 . 1 1 584 584 TRP H H 584 9.295 9.295 9.108 0.187 25953 5184 1 13 . 1 1 585 585 LYS N N 585 122.031 122.031 122.978 -0.947 25953 5185 1 13 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.943 -0.380 25953 5186 1 13 . 1 1 585 585 LYS C C 585 178.886 178.886 177.429 1.457 25953 5187 1 13 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.159 2.154 25953 5188 1 13 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.602 -1.169 25953 5189 1 13 . 1 1 585 585 LYS H H 585 8.689 8.689 8.441 0.248 25953 5190 1 13 . 1 1 586 586 ASN N N 586 123.634 123.634 120.387 3.247 25953 5191 1 13 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.448 0.455 25953 5192 1 13 . 1 1 586 586 ASN C C 586 176.043 176.043 173.879 2.164 25953 5193 1 13 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.154 0.548 25953 5194 1 13 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.916 -0.864 25953 5195 1 13 . 1 1 586 586 ASN H H 586 8.830 8.830 9.137 -0.307 25953 5196 1 13 . 1 1 587 587 THR N N 587 114.536 114.536 114.771 -0.235 25953 5197 1 13 . 1 1 587 587 THR HA H 587 5.482 5.482 5.274 0.208 25953 5198 1 13 . 1 1 587 587 THR C C 587 171.882 171.882 173.279 -1.397 25953 5199 1 13 . 1 1 587 587 THR CA C 587 63.252 63.252 62.175 1.077 25953 5200 1 13 . 1 1 587 587 THR CB C 587 73.106 73.106 72.559 0.547 25953 5201 1 13 . 1 1 587 587 THR H H 587 8.179 8.179 7.904 0.276 25953 5202 1 13 . 1 1 588 588 ILE N N 588 120.751 120.751 121.492 -0.741 25953 5203 1 13 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.510 -0.079 25953 5204 1 13 . 1 1 588 588 ILE C C 588 171.550 171.550 172.761 -1.211 25953 5205 1 13 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.781 -0.821 25953 5206 1 13 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.685 1.667 25953 5207 1 13 . 1 1 588 588 ILE H H 588 8.984 8.984 9.102 -0.118 25953 5208 1 13 . 1 1 589 589 GLU N N 589 125.535 125.535 128.364 -2.829 25953 5209 1 13 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.759 0.052 25953 5210 1 13 . 1 1 589 589 GLU C C 589 175.587 175.587 174.540 1.047 25953 5211 1 13 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.116 0.045 25953 5212 1 13 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.737 -0.114 25953 5213 1 13 . 1 1 589 589 GLU H H 589 8.337 8.337 8.275 0.062 25953 5214 1 13 . 1 1 590 590 VAL N N 590 126.684 126.684 125.929 0.755 25953 5215 1 13 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.376 -0.389 25953 5216 1 13 . 1 1 590 590 VAL C C 590 176.078 176.078 175.826 0.252 25953 5217 1 13 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.025 0.549 25953 5218 1 13 . 1 1 590 590 VAL CB C 590 33.828 33.828 33.924 -0.096 25953 5219 1 13 . 1 1 590 590 VAL H H 590 9.013 9.013 8.978 0.035 25953 5220 1 13 . 1 1 591 591 ASN N N 591 127.075 127.075 125.991 1.084 25953 5221 1 13 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.354 -0.051 25953 5222 1 13 . 1 1 591 591 ASN C C 591 175.223 175.223 175.503 -0.280 25953 5223 1 13 . 1 1 591 591 ASN CA C 591 54.048 54.048 55.390 -1.342 25953 5224 1 13 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.291 -0.522 25953 5225 1 13 . 1 1 591 591 ASN H H 591 9.347 9.347 9.303 0.044 25953 5226 1 13 . 1 1 592 592 GLY N N 592 104.628 104.628 106.884 -2.256 25953 5227 1 13 . 1 1 592 592 GLY C C 592 172.842 172.842 173.020 -0.178 25953 5228 1 13 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.843 0.438 25953 5229 1 13 . 1 1 592 592 GLY H H 592 8.990 8.990 8.313 0.677 25953 5230 1 13 . 1 1 593 593 LYS N N 593 120.387 120.387 121.563 -1.176 25953 5231 1 13 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.689 -0.502 25953 5232 1 13 . 1 1 593 593 LYS C C 593 173.344 173.344 175.344 -2.000 25953 5233 1 13 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.872 -0.733 25953 5234 1 13 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.998 -0.052 25953 5235 1 13 . 1 1 593 593 LYS H H 593 7.485 7.485 7.956 -0.471 25953 5236 1 13 . 1 1 594 594 TYR N N 594 119.730 119.730 120.052 -0.322 25953 5237 1 13 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.849 -0.018 25953 5238 1 13 . 1 1 594 594 TYR C C 594 173.851 173.851 175.682 -1.831 25953 5239 1 13 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.690 -0.762 25953 5240 1 13 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.809 -3.235 25953 5241 1 13 . 1 1 594 594 TYR H H 594 7.092 7.092 8.332 -1.240 25953 5242 1 13 . 1 1 595 595 PHE N N 595 116.435 116.435 117.979 -1.544 25953 5243 1 13 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.843 0.195 25953 5244 1 13 . 1 1 595 595 PHE C C 595 177.013 177.013 174.106 2.907 25953 5245 1 13 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.161 -1.633 25953 5246 1 13 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.432 0.966 25953 5247 1 13 . 1 1 595 595 PHE H H 595 8.459 8.459 9.040 -0.581 25953 5248 1 13 . 1 1 596 596 N N 596 118.187 118.187 10000.700 -9882.510 25953 5249 1 13 . 1 1 596 596 HA H 596 6.064 6.064 9999.630 -9993.570 25953 5250 1 13 . 1 1 596 596 CA C 596 58.668 58.668 9998.550 -9939.880 25953 5251 1 13 . 1 1 596 596 CB C 596 32.486 32.486 10001.000 -9968.510 25953 5252 1 13 . 1 1 596 596 H H 596 9.113 9.113 9999.790 -9990.680 25953 5253 1 13 . 1 1 597 597 SER N N 597 118.403 118.403 120.931 -2.528 25953 5254 1 13 . 1 1 597 597 SER HA H 597 4.798 4.798 4.273 0.525 25953 5255 1 13 . 1 1 597 597 SER C C 597 179.336 179.336 176.691 2.645 25953 5256 1 13 . 1 1 597 597 SER CA C 597 60.633 60.633 62.267 -1.634 25953 5257 1 13 . 1 1 597 597 SER CB C 597 62.965 62.965 63.443 -0.478 25953 5258 1 13 . 1 1 597 597 SER H H 597 8.110 8.110 8.966 -0.856 25953 5259 1 13 . 1 1 598 598 THR N N 598 111.927 111.927 116.444 -4.517 25953 5260 1 13 . 1 1 598 598 THR HA H 598 3.991 3.991 4.107 -0.116 25953 5261 1 13 . 1 1 598 598 THR C C 598 178.244 178.244 176.110 2.134 25953 5262 1 13 . 1 1 598 598 THR CA C 598 64.766 64.766 65.702 -0.936 25953 5263 1 13 . 1 1 598 598 THR CB C 598 67.467 67.467 68.121 -0.654 25953 5264 1 13 . 1 1 598 598 THR H H 598 9.120 9.120 8.541 0.579 25953 5265 1 13 . 1 1 599 599 N N 599 117.596 117.596 10000.700 -9883.100 25953 5266 1 13 . 1 1 599 599 HA H 599 4.055 4.055 9998.880 -9994.830 25953 5267 1 13 . 1 1 599 599 C C 599 177.266 177.266 10001.000 -9823.730 25953 5268 1 13 . 1 1 599 599 CA C 599 63.602 63.602 10003.200 -9939.600 25953 5269 1 13 . 1 1 599 599 CB C 599 30.014 30.014 9997.290 -9967.280 25953 5270 1 13 . 1 1 599 599 H H 599 6.935 6.935 9998.940 -9992.010 25953 5271 1 13 . 1 1 600 600 TYR N N 600 119.532 119.532 120.696 -1.164 25953 5272 1 13 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.933 -0.336 25953 5273 1 13 . 1 1 600 600 TYR C C 600 177.533 177.533 176.872 0.661 25953 5274 1 13 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.966 0.168 25953 5275 1 13 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.408 1.013 25953 5276 1 13 . 1 1 600 600 TYR H H 600 8.396 8.396 8.698 -0.302 25953 5277 1 13 . 1 1 601 601 N N 601 117.457 117.457 9996.930 -9879.470 25953 5278 1 13 . 1 1 601 601 HA H 601 4.126 4.126 9998.740 -9994.610 25953 5279 1 13 . 1 1 601 601 CA C 601 60.119 60.119 10002.800 -9942.680 25953 5280 1 13 . 1 1 601 601 CB C 601 29.903 29.903 9999.320 -9969.420 25953 5281 1 13 . 1 1 601 601 H H 601 8.417 8.417 9999.020 -9990.600 25953 5282 1 13 . 1 1 602 602 GLU N N 602 118.228 118.228 118.926 -0.698 25953 5283 1 13 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.169 -0.088 25953 5284 1 13 . 1 1 602 602 GLU C C 602 177.912 177.912 178.061 -0.149 25953 5285 1 13 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.968 -0.808 25953 5286 1 13 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.341 0.392 25953 5287 1 13 . 1 1 602 602 GLU H H 602 8.094 8.094 8.166 -0.072 25953 5288 1 13 . 1 1 603 603 THR N N 603 111.252 111.252 112.988 -1.736 25953 5289 1 13 . 1 1 603 603 THR HA H 603 4.265 4.265 4.297 -0.032 25953 5290 1 13 . 1 1 603 603 THR C C 603 175.279 175.279 173.991 1.288 25953 5291 1 13 . 1 1 603 603 THR CA C 603 63.116 63.116 62.775 0.341 25953 5292 1 13 . 1 1 603 603 THR CB C 603 69.801 69.801 68.778 1.023 25953 5293 1 13 . 1 1 603 603 THR H H 603 7.578 7.578 7.544 0.034 25953 5294 1 13 . 1 1 604 604 SER N N 604 117.291 117.291 117.626 -0.335 25953 5295 1 13 . 1 1 604 604 SER HA H 604 4.221 4.221 3.961 0.260 25953 5296 1 13 . 1 1 604 604 SER C C 604 174.838 174.838 174.792 0.046 25953 5297 1 13 . 1 1 604 604 SER CA C 604 59.105 59.105 58.269 0.836 25953 5298 1 13 . 1 1 604 604 SER CB C 604 63.387 63.387 63.742 -0.355 25953 5299 1 13 . 1 1 604 604 SER H H 604 7.849 7.849 7.199 0.650 25953 5300 1 13 . 1 1 605 605 GLN N N 605 120.747 120.747 124.837 -4.090 25953 5301 1 13 . 1 1 605 605 GLN C C 605 175.801 175.801 175.890 -0.089 25953 5302 1 13 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.741 0.339 25953 5303 1 13 . 1 1 605 605 GLN CB C 605 28.926 28.926 29.098 -0.172 25953 5304 1 13 . 1 1 605 605 GLN H H 605 7.971 7.971 8.212 -0.241 25953 5305 1 14 . 1 1 535 535 SER HA H 535 4.465 4.465 4.541 -0.076 25953 5306 1 14 . 1 1 535 535 SER C C 535 174.718 174.718 175.373 -0.655 25953 5307 1 14 . 1 1 535 535 SER CA C 535 58.323 58.323 57.780 0.543 25953 5308 1 14 . 1 1 535 535 SER CB C 535 63.845 63.845 64.172 -0.327 25953 5309 1 14 . 1 1 536 536 GLU N N 536 122.899 122.899 121.040 1.859 25953 5310 1 14 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.270 -0.069 25953 5311 1 14 . 1 1 536 536 GLU C C 536 176.241 176.241 176.854 -0.613 25953 5312 1 14 . 1 1 536 536 GLU CA C 536 57.077 57.077 57.224 -0.147 25953 5313 1 14 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.959 -0.127 25953 5314 1 14 . 1 1 536 536 GLU H H 536 8.638 8.638 8.681 -0.043 25953 5315 1 14 . 1 1 537 537 PHE N N 537 120.390 120.390 121.585 -1.195 25953 5316 1 14 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.544 0.097 25953 5317 1 14 . 1 1 537 537 PHE C C 537 176.005 176.005 174.333 1.672 25953 5318 1 14 . 1 1 537 537 PHE CA C 537 57.804 57.804 58.061 -0.257 25953 5319 1 14 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.593 -0.143 25953 5320 1 14 . 1 1 537 537 PHE H H 537 8.266 8.266 7.840 0.426 25953 5321 1 14 . 1 1 538 538 SER N N 538 117.148 117.148 120.573 -3.425 25953 5322 1 14 . 1 1 538 538 SER HA H 538 4.399 4.399 4.341 0.058 25953 5323 1 14 . 1 1 538 538 SER C C 538 174.167 174.167 172.555 1.612 25953 5324 1 14 . 1 1 538 538 SER CA C 538 58.437 58.437 56.544 1.893 25953 5325 1 14 . 1 1 538 538 SER CB C 538 63.956 63.956 66.023 -2.067 25953 5326 1 14 . 1 1 538 538 SER H H 538 8.194 8.194 7.553 0.641 25953 5327 1 14 . 1 1 539 539 ASP N N 539 122.404 122.404 121.115 1.289 25953 5328 1 14 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.566 0.020 25953 5329 1 14 . 1 1 539 539 ASP C C 539 176.496 176.496 175.661 0.835 25953 5330 1 14 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.461 0.011 25953 5331 1 14 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.268 -0.247 25953 5332 1 14 . 1 1 539 539 ASP H H 539 8.333 8.333 8.397 -0.064 25953 5333 1 14 . 1 1 540 540 ARG N N 540 121.337 121.337 120.560 0.777 25953 5334 1 14 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.464 -0.101 25953 5335 1 14 . 1 1 540 540 ARG C C 540 176.889 176.889 175.386 1.503 25953 5336 1 14 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.557 0.849 25953 5337 1 14 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.621 -0.256 25953 5338 1 14 . 1 1 540 540 ARG H H 540 8.293 8.293 8.328 -0.035 25953 5339 1 14 . 1 1 541 541 SER N N 541 116.606 116.606 115.633 0.973 25953 5340 1 14 . 1 1 541 541 SER HA H 541 4.319 4.319 4.515 -0.196 25953 5341 1 14 . 1 1 541 541 SER C C 541 175.060 175.060 175.673 -0.613 25953 5342 1 14 . 1 1 541 541 SER CA C 541 59.655 59.655 57.576 2.079 25953 5343 1 14 . 1 1 541 541 SER CB C 541 63.417 63.417 64.541 -1.124 25953 5344 1 14 . 1 1 541 541 SER H H 541 8.369 8.369 7.873 0.496 25953 5345 1 14 . 1 1 542 542 ASN N N 542 120.759 120.759 121.294 -0.535 25953 5346 1 14 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.456 0.244 25953 5347 1 14 . 1 1 542 542 ASN C C 542 175.903 175.903 177.269 -1.366 25953 5348 1 14 . 1 1 542 542 ASN CA C 542 53.788 53.788 55.423 -1.635 25953 5349 1 14 . 1 1 542 542 ASN CB C 542 38.728 38.728 37.839 0.889 25953 5350 1 14 . 1 1 542 542 ASN H H 542 8.451 8.451 8.957 -0.506 25953 5351 1 14 . 1 1 543 543 GLU N N 543 120.886 120.886 120.214 0.672 25953 5352 1 14 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.102 -0.111 25953 5353 1 14 . 1 1 543 543 GLU C C 543 177.658 177.658 177.960 -0.302 25953 5354 1 14 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.485 0.304 25953 5355 1 14 . 1 1 543 543 GLU CB C 543 29.754 29.754 28.986 0.768 25953 5356 1 14 . 1 1 543 543 GLU H H 543 8.257 8.257 8.774 -0.517 25953 5357 1 14 . 1 1 544 544 LEU N N 544 119.978 119.978 119.017 0.961 25953 5358 1 14 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.133 -0.046 25953 5359 1 14 . 1 1 544 544 LEU C C 544 179.340 179.340 178.761 0.579 25953 5360 1 14 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.312 -0.114 25953 5361 1 14 . 1 1 544 544 LEU CB C 544 41.611 41.611 42.011 -0.400 25953 5362 1 14 . 1 1 544 544 LEU H H 544 8.104 8.104 7.571 0.533 25953 5363 1 14 . 1 1 545 545 GLU N N 545 120.432 120.432 120.489 -0.057 25953 5364 1 14 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.027 0.033 25953 5365 1 14 . 1 1 545 545 GLU C C 545 178.371 178.371 178.710 -0.339 25953 5366 1 14 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.311 -1.068 25953 5367 1 14 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.771 -0.206 25953 5368 1 14 . 1 1 545 545 GLU H H 545 7.995 7.995 7.362 0.633 25953 5369 1 14 . 1 1 546 546 ILE N N 546 119.751 119.751 118.133 1.618 25953 5370 1 14 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.765 -0.141 25953 5371 1 14 . 1 1 546 546 ILE C C 546 178.857 178.857 178.048 0.809 25953 5372 1 14 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.803 -0.964 25953 5373 1 14 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.827 -0.173 25953 5374 1 14 . 1 1 546 546 ILE H H 546 7.828 7.828 7.919 -0.091 25953 5375 1 14 . 1 1 547 547 ARG N N 547 120.304 120.304 119.915 0.389 25953 5376 1 14 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.170 0.187 25953 5377 1 14 . 1 1 547 547 ARG C C 547 176.842 176.842 178.049 -1.207 25953 5378 1 14 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.907 -1.032 25953 5379 1 14 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.072 0.388 25953 5380 1 14 . 1 1 547 547 ARG H H 547 8.313 8.313 7.589 0.724 25953 5381 1 14 . 1 1 548 548 GLY N N 548 104.777 104.777 105.253 -0.476 25953 5382 1 14 . 1 1 548 548 GLY C C 548 175.105 175.105 174.801 0.304 25953 5383 1 14 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.864 0.596 25953 5384 1 14 . 1 1 548 548 GLY H H 548 7.823 7.823 7.431 0.392 25953 5385 1 14 . 1 1 549 549 LYS N N 549 122.134 122.134 121.852 0.282 25953 5386 1 14 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.433 -0.056 25953 5387 1 14 . 1 1 549 549 LYS C C 549 175.156 175.156 175.088 0.068 25953 5388 1 14 . 1 1 549 549 LYS CA C 549 57.373 57.373 57.012 0.361 25953 5389 1 14 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.971 -0.824 25953 5390 1 14 . 1 1 549 549 LYS H H 549 7.257 7.257 7.511 -0.254 25953 5391 1 14 . 1 1 550 550 TYR N N 550 117.482 117.482 115.804 1.678 25953 5392 1 14 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.684 0.074 25953 5393 1 14 . 1 1 550 550 TYR C C 550 174.650 174.650 173.684 0.966 25953 5394 1 14 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.542 -0.513 25953 5395 1 14 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.486 0.742 25953 5396 1 14 . 1 1 550 550 TYR H H 550 8.108 8.108 8.192 -0.084 25953 5397 1 14 . 1 1 551 551 VAL N N 551 117.964 117.964 118.547 -0.583 25953 5398 1 14 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.296 0.163 25953 5399 1 14 . 1 1 551 551 VAL C C 551 174.974 174.974 174.252 0.722 25953 5400 1 14 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.257 -1.219 25953 5401 1 14 . 1 1 551 551 VAL CB C 551 36.793 36.793 36.789 0.004 25953 5402 1 14 . 1 1 551 551 VAL H H 551 8.549 8.549 8.468 0.081 25953 5403 1 14 . 1 1 552 552 VAL N N 552 126.679 126.679 125.594 1.085 25953 5404 1 14 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.494 -0.335 25953 5405 1 14 . 1 1 552 552 VAL C C 552 175.545 175.545 174.755 0.790 25953 5406 1 14 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.113 1.039 25953 5407 1 14 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.884 -0.926 25953 5408 1 14 . 1 1 552 552 VAL H H 552 8.642 8.642 8.435 0.207 25953 5409 1 14 . 1 1 553 553 VAL N N 553 129.744 129.744 128.634 1.110 25953 5410 1 14 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.176 -1.717 25953 5411 1 14 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.588 3.580 25953 5412 1 14 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.466 -2.082 25953 5413 1 14 . 1 1 553 553 VAL H H 553 8.341 8.341 8.504 -0.163 25953 5414 1 14 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.598 -0.210 25953 5415 1 14 . 1 1 554 554 PRO C C 554 178.374 178.374 177.146 1.228 25953 5416 1 14 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.402 0.174 25953 5417 1 14 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.615 0.140 25953 5418 1 14 . 1 1 555 555 GLU N N 555 122.440 122.440 121.493 0.947 25953 5419 1 14 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.866 0.188 25953 5420 1 14 . 1 1 555 555 GLU C C 555 176.757 176.757 176.609 0.148 25953 5421 1 14 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.712 -0.211 25953 5422 1 14 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.471 -0.059 25953 5423 1 14 . 1 1 555 555 GLU H H 555 8.904 8.904 8.761 0.143 25953 5424 1 14 . 1 1 556 556 THR N N 556 104.703 104.703 109.343 -4.640 25953 5425 1 14 . 1 1 556 556 THR HA H 556 4.152 4.152 4.173 -0.021 25953 5426 1 14 . 1 1 556 556 THR C C 556 175.161 175.161 175.304 -0.143 25953 5427 1 14 . 1 1 556 556 THR CA C 556 61.379 61.379 62.583 -1.204 25953 5428 1 14 . 1 1 556 556 THR CB C 556 68.976 68.976 68.567 0.409 25953 5429 1 14 . 1 1 556 556 THR H H 556 7.160 7.160 7.737 -0.577 25953 5430 1 14 . 1 1 557 557 SER N N 557 116.705 116.705 118.134 -1.429 25953 5431 1 14 . 1 1 557 557 SER HA H 557 4.529 4.529 4.470 0.059 25953 5432 1 14 . 1 1 557 557 SER C C 557 175.325 175.325 174.902 0.423 25953 5433 1 14 . 1 1 557 557 SER CA C 557 58.036 58.036 58.601 -0.565 25953 5434 1 14 . 1 1 557 557 SER CB C 557 63.214 63.214 64.418 -1.204 25953 5435 1 14 . 1 1 557 557 SER H H 557 7.405 7.405 7.609 -0.204 25953 5436 1 14 . 1 1 558 558 GLN N N 558 127.356 127.356 123.440 3.916 25953 5437 1 14 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.150 0.019 25953 5438 1 14 . 1 1 558 558 GLN C C 558 176.491 176.491 175.984 0.507 25953 5439 1 14 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.232 -0.638 25953 5440 1 14 . 1 1 558 558 GLN CB C 558 28.773 28.773 29.051 -0.278 25953 5441 1 14 . 1 1 558 558 GLN H H 558 8.915 8.915 8.714 0.201 25953 5442 1 14 . 1 1 559 559 ASP N N 559 116.840 116.840 116.561 0.279 25953 5443 1 14 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.663 -0.178 25953 5444 1 14 . 1 1 559 559 ASP C C 559 175.554 175.554 174.917 0.637 25953 5445 1 14 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.841 -0.638 25953 5446 1 14 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.232 -0.706 25953 5447 1 14 . 1 1 559 559 ASP H H 559 8.275 8.275 8.198 0.077 25953 5448 1 14 . 1 1 560 560 MET N N 560 112.866 112.866 117.031 -4.165 25953 5449 1 14 . 1 1 560 560 MET HA H 560 3.899 3.899 3.740 0.159 25953 5450 1 14 . 1 1 560 560 MET C C 560 175.044 175.044 173.739 1.305 25953 5451 1 14 . 1 1 560 560 MET CA C 560 56.400 56.400 55.905 0.495 25953 5452 1 14 . 1 1 560 560 MET CB C 560 30.933 30.933 30.238 0.695 25953 5453 1 14 . 1 1 560 560 MET H H 560 7.935 7.935 7.640 0.295 25953 5454 1 14 . 1 1 561 561 ALA N N 561 122.207 122.207 119.569 2.638 25953 5455 1 14 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.916 -0.005 25953 5456 1 14 . 1 1 561 561 ALA C C 561 176.577 176.577 176.417 0.160 25953 5457 1 14 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.461 -0.484 25953 5458 1 14 . 1 1 561 561 ALA CB C 561 23.287 23.287 21.991 1.296 25953 5459 1 14 . 1 1 561 561 ALA H H 561 7.910 7.910 7.782 0.128 25953 5460 1 14 . 1 1 562 562 PHE N N 562 117.027 117.027 123.249 -6.222 25953 5461 1 14 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.685 -0.049 25953 5462 1 14 . 1 1 562 562 PHE C C 562 170.988 170.988 173.476 -2.488 25953 5463 1 14 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.135 -0.904 25953 5464 1 14 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.694 -2.648 25953 5465 1 14 . 1 1 562 562 PHE H H 562 8.075 8.075 8.564 -0.489 25953 5466 1 14 . 1 1 563 563 LYS N N 563 120.420 120.420 126.669 -6.249 25953 5467 1 14 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.433 0.067 25953 5468 1 14 . 1 1 563 563 LYS C C 563 176.093 176.093 175.679 0.414 25953 5469 1 14 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.649 -1.847 25953 5470 1 14 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.500 1.179 25953 5471 1 14 . 1 1 563 563 LYS H H 563 8.392 8.392 7.283 1.109 25953 5472 1 14 . 1 1 564 564 N N 564 132.535 132.535 10008.100 -9875.560 25953 5473 1 14 . 1 1 564 564 HA H 564 4.639 4.639 9999.290 -9994.650 25953 5474 1 14 . 1 1 564 564 C C 564 175.820 175.820 9997.460 -9821.640 25953 5475 1 14 . 1 1 564 564 CA C 564 57.545 57.545 9995.920 -9938.380 25953 5476 1 14 . 1 1 564 564 CB C 564 30.650 30.650 9998.120 -9967.470 25953 5477 1 14 . 1 1 564 564 H H 564 8.456 8.456 9999.280 -9990.820 25953 5478 1 14 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.370 0.010 25953 5479 1 14 . 1 1 565 565 PRO C C 565 177.300 177.300 177.002 0.298 25953 5480 1 14 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.084 -0.691 25953 5481 1 14 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.928 1.077 25953 5482 1 14 . 1 1 566 566 ILE N N 566 118.529 118.529 118.795 -0.266 25953 5483 1 14 . 1 1 566 566 ILE HA H 566 4.131 4.131 4.000 0.131 25953 5484 1 14 . 1 1 566 566 ILE C C 566 176.361 176.361 177.445 -1.084 25953 5485 1 14 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.508 0.191 25953 5486 1 14 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.579 0.218 25953 5487 1 14 . 1 1 566 566 ILE H H 566 8.528 8.528 8.399 0.129 25953 5488 1 14 . 1 1 567 567 N N 567 116.646 116.646 9994.910 -9878.260 25953 5489 1 14 . 1 1 567 567 HA H 567 4.932 4.932 9999.310 -9994.380 25953 5490 1 14 . 1 1 567 567 C C 567 176.175 176.175 9999.530 -9823.360 25953 5491 1 14 . 1 1 567 567 CA C 567 58.801 58.801 9997.800 -9939.000 25953 5492 1 14 . 1 1 567 567 CB C 567 31.243 31.243 10000.500 -9969.260 25953 5493 1 14 . 1 1 567 567 H H 567 7.770 7.770 9998.900 -9991.130 25953 5494 1 14 . 1 1 568 568 LYS N N 568 116.867 116.867 120.628 -3.761 25953 5495 1 14 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.010 0.005 25953 5496 1 14 . 1 1 568 568 LYS C C 568 175.290 175.290 175.286 0.004 25953 5497 1 14 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.895 -0.021 25953 5498 1 14 . 1 1 568 568 LYS CB C 568 28.635 28.635 30.619 -1.984 25953 5499 1 14 . 1 1 568 568 LYS H H 568 8.038 8.038 8.162 -0.124 25953 5500 1 14 . 1 1 569 569 GLU N N 569 120.683 120.683 117.478 3.205 25953 5501 1 14 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.672 -0.200 25953 5502 1 14 . 1 1 569 569 GLU C C 569 175.851 175.851 175.878 -0.027 25953 5503 1 14 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.819 1.382 25953 5504 1 14 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.274 -0.931 25953 5505 1 14 . 1 1 569 569 GLU H H 569 8.380 8.380 7.823 0.557 25953 5506 1 14 . 1 1 570 570 THR N N 570 118.082 118.082 116.708 1.374 25953 5507 1 14 . 1 1 570 570 THR HA H 570 4.378 4.378 4.931 -0.553 25953 5508 1 14 . 1 1 570 570 THR C C 570 174.070 174.070 173.829 0.241 25953 5509 1 14 . 1 1 570 570 THR CA C 570 63.174 63.174 61.747 1.427 25953 5510 1 14 . 1 1 570 570 THR CB C 570 69.853 69.853 70.189 -0.336 25953 5511 1 14 . 1 1 570 570 THR H H 570 8.565 8.565 8.453 0.112 25953 5512 1 14 . 1 1 571 571 VAL N N 571 132.533 132.533 128.225 4.308 25953 5513 1 14 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.460 -0.589 25953 5514 1 14 . 1 1 571 571 VAL C C 571 174.198 174.198 174.800 -0.602 25953 5515 1 14 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.355 1.714 25953 5516 1 14 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.004 -1.074 25953 5517 1 14 . 1 1 571 571 VAL H H 571 8.740 8.740 9.002 -0.262 25953 5518 1 14 . 1 1 572 572 THR N N 572 116.229 116.229 121.627 -5.398 25953 5519 1 14 . 1 1 572 572 THR HA H 572 5.243 5.243 5.224 0.018 25953 5520 1 14 . 1 1 572 572 THR C C 572 175.803 175.803 175.210 0.593 25953 5521 1 14 . 1 1 572 572 THR CA C 572 60.095 60.095 60.573 -0.478 25953 5522 1 14 . 1 1 572 572 THR CB C 572 70.889 70.889 70.734 0.155 25953 5523 1 14 . 1 1 572 572 THR H H 572 8.089 8.089 8.436 -0.347 25953 5524 1 14 . 1 1 573 573 GLY N N 573 110.544 110.544 110.339 0.205 25953 5525 1 14 . 1 1 573 573 GLY C C 573 172.769 172.769 173.851 -1.082 25953 5526 1 14 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.635 1.800 25953 5527 1 14 . 1 1 573 573 GLY H H 573 8.871 8.871 8.420 0.451 25953 5528 1 14 . 1 1 574 574 VAL N N 574 120.833 120.833 118.038 2.795 25953 5529 1 14 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.806 0.021 25953 5530 1 14 . 1 1 574 574 VAL C C 574 173.472 173.472 173.927 -0.455 25953 5531 1 14 . 1 1 574 574 VAL CA C 574 60.001 60.001 60.073 -0.072 25953 5532 1 14 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.685 -0.047 25953 5533 1 14 . 1 1 574 574 VAL H H 574 9.473 9.473 8.947 0.526 25953 5534 1 14 . 1 1 575 575 TYR N N 575 126.796 126.796 125.517 1.279 25953 5535 1 14 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.488 -0.927 25953 5536 1 14 . 1 1 575 575 TYR C C 575 174.622 174.622 174.857 -0.235 25953 5537 1 14 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.096 0.136 25953 5538 1 14 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.669 -1.405 25953 5539 1 14 . 1 1 575 575 TYR H H 575 8.410 8.410 8.814 -0.404 25953 5540 1 14 . 1 1 576 576 ASP N N 576 130.548 130.548 127.037 3.511 25953 5541 1 14 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.464 -0.034 25953 5542 1 14 . 1 1 576 576 ASP C C 576 174.399 174.399 175.786 -1.387 25953 5543 1 14 . 1 1 576 576 ASP CA C 576 52.509 52.509 53.199 -0.690 25953 5544 1 14 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.003 0.009 25953 5545 1 14 . 1 1 576 576 ASP H H 576 8.228 8.228 8.370 -0.142 25953 5546 1 14 . 1 1 577 577 GLU N N 577 125.178 125.178 125.480 -0.302 25953 5547 1 14 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.181 -0.602 25953 5548 1 14 . 1 1 577 577 GLU C C 577 178.103 178.103 177.191 0.912 25953 5549 1 14 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.969 0.738 25953 5550 1 14 . 1 1 577 577 GLU CB C 577 29.510 29.510 30.069 -0.559 25953 5551 1 14 . 1 1 577 577 GLU H H 577 8.480 8.480 8.624 -0.144 25953 5552 1 14 . 1 1 578 578 GLU N N 578 117.933 117.933 119.282 -1.349 25953 5553 1 14 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.190 -0.221 25953 5554 1 14 . 1 1 578 578 GLU C C 578 177.632 177.632 177.545 0.087 25953 5555 1 14 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.228 0.811 25953 5556 1 14 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.870 -0.484 25953 5557 1 14 . 1 1 578 578 GLU H H 578 8.126 8.126 8.040 0.086 25953 5558 1 14 . 1 1 579 579 SER N N 579 111.483 111.483 112.141 -0.658 25953 5559 1 14 . 1 1 579 579 SER HA H 579 4.343 4.343 4.575 -0.232 25953 5560 1 14 . 1 1 579 579 SER C C 579 176.070 176.070 174.355 1.715 25953 5561 1 14 . 1 1 579 579 SER CA C 579 58.557 58.557 58.071 0.486 25953 5562 1 14 . 1 1 579 579 SER CB C 579 64.809 64.809 64.538 0.271 25953 5563 1 14 . 1 1 579 579 SER H H 579 7.510 7.510 8.143 -0.633 25953 5564 1 14 . 1 1 580 580 GLY N N 580 113.307 113.307 111.386 1.921 25953 5565 1 14 . 1 1 580 580 GLY C C 580 173.600 173.600 172.870 0.730 25953 5566 1 14 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.172 0.934 25953 5567 1 14 . 1 1 580 580 GLY H H 580 8.196 8.196 7.753 0.443 25953 5568 1 14 . 1 1 581 581 GLU N N 581 116.623 116.623 116.863 -0.240 25953 5569 1 14 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.678 0.027 25953 5570 1 14 . 1 1 581 581 GLU C C 581 174.750 174.750 174.478 0.272 25953 5571 1 14 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.697 0.172 25953 5572 1 14 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.730 -0.120 25953 5573 1 14 . 1 1 581 581 GLU H H 581 6.994 6.994 7.396 -0.402 25953 5574 1 14 . 1 1 582 582 TRP N N 582 122.364 122.364 119.486 2.878 25953 5575 1 14 . 1 1 582 582 TRP HA H 582 4.801 4.801 4.840 -0.039 25953 5576 1 14 . 1 1 582 582 TRP C C 582 176.750 176.750 176.267 0.483 25953 5577 1 14 . 1 1 582 582 TRP CA C 582 57.033 57.033 58.199 -1.166 25953 5578 1 14 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.578 -1.720 25953 5579 1 14 . 1 1 582 582 TRP H H 582 8.841 8.841 8.854 -0.013 25953 5580 1 14 . 1 1 583 583 VAL N N 583 115.147 115.147 120.115 -4.968 25953 5581 1 14 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.114 0.002 25953 5582 1 14 . 1 1 583 583 VAL C C 583 175.063 175.063 174.214 0.849 25953 5583 1 14 . 1 1 583 583 VAL CA C 583 59.398 59.398 61.007 -1.609 25953 5584 1 14 . 1 1 583 583 VAL CB C 583 36.769 36.769 37.085 -0.316 25953 5585 1 14 . 1 1 583 583 VAL H H 583 9.440 9.440 9.502 -0.062 25953 5586 1 14 . 1 1 584 584 TRP N N 584 123.710 123.710 124.967 -1.257 25953 5587 1 14 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.247 0.003 25953 5588 1 14 . 1 1 584 584 TRP C C 584 176.436 176.436 175.049 1.387 25953 5589 1 14 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.823 -0.422 25953 5590 1 14 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.856 -2.413 25953 5591 1 14 . 1 1 584 584 TRP H H 584 9.295 9.295 9.413 -0.118 25953 5592 1 14 . 1 1 585 585 LYS N N 585 122.031 122.031 125.925 -3.894 25953 5593 1 14 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.445 0.118 25953 5594 1 14 . 1 1 585 585 LYS C C 585 178.886 178.886 177.709 1.177 25953 5595 1 14 . 1 1 585 585 LYS CA C 585 56.313 56.313 57.082 -0.769 25953 5596 1 14 . 1 1 585 585 LYS CB C 585 33.433 33.433 33.640 -0.207 25953 5597 1 14 . 1 1 585 585 LYS H H 585 8.689 8.689 8.905 -0.216 25953 5598 1 14 . 1 1 586 586 ASN N N 586 123.634 123.634 118.919 4.715 25953 5599 1 14 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.451 0.452 25953 5600 1 14 . 1 1 586 586 ASN C C 586 176.043 176.043 174.022 2.021 25953 5601 1 14 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.418 0.284 25953 5602 1 14 . 1 1 586 586 ASN CB C 586 37.052 37.052 36.635 0.417 25953 5603 1 14 . 1 1 586 586 ASN H H 586 8.830 8.830 8.925 -0.095 25953 5604 1 14 . 1 1 587 587 THR N N 587 114.536 114.536 114.651 -0.115 25953 5605 1 14 . 1 1 587 587 THR HA H 587 5.482 5.482 5.338 0.144 25953 5606 1 14 . 1 1 587 587 THR C C 587 171.882 171.882 172.917 -1.035 25953 5607 1 14 . 1 1 587 587 THR CA C 587 63.252 63.252 62.413 0.839 25953 5608 1 14 . 1 1 587 587 THR CB C 587 73.106 73.106 72.127 0.979 25953 5609 1 14 . 1 1 587 587 THR H H 587 8.179 8.179 7.756 0.423 25953 5610 1 14 . 1 1 588 588 ILE N N 588 120.751 120.751 120.629 0.122 25953 5611 1 14 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.519 -0.088 25953 5612 1 14 . 1 1 588 588 ILE C C 588 171.550 171.550 172.705 -1.155 25953 5613 1 14 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.320 -0.360 25953 5614 1 14 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.947 1.405 25953 5615 1 14 . 1 1 588 588 ILE H H 588 8.984 8.984 8.772 0.212 25953 5616 1 14 . 1 1 589 589 GLU N N 589 125.535 125.535 128.028 -2.493 25953 5617 1 14 . 1 1 589 589 GLU HA H 589 4.811 4.811 5.022 -0.211 25953 5618 1 14 . 1 1 589 589 GLU C C 589 175.587 175.587 174.904 0.683 25953 5619 1 14 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.294 -0.133 25953 5620 1 14 . 1 1 589 589 GLU CB C 589 31.623 31.623 32.333 -0.710 25953 5621 1 14 . 1 1 589 589 GLU H H 589 8.337 8.337 8.232 0.105 25953 5622 1 14 . 1 1 590 590 VAL N N 590 126.684 126.684 125.873 0.811 25953 5623 1 14 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.285 -0.298 25953 5624 1 14 . 1 1 590 590 VAL C C 590 176.078 176.078 175.620 0.458 25953 5625 1 14 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.924 0.650 25953 5626 1 14 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.416 -0.588 25953 5627 1 14 . 1 1 590 590 VAL H H 590 9.013 9.013 9.246 -0.233 25953 5628 1 14 . 1 1 591 591 ASN N N 591 127.075 127.075 124.120 2.955 25953 5629 1 14 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.437 -0.134 25953 5630 1 14 . 1 1 591 591 ASN C C 591 175.223 175.223 175.981 -0.758 25953 5631 1 14 . 1 1 591 591 ASN CA C 591 54.048 54.048 53.583 0.465 25953 5632 1 14 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.337 -0.568 25953 5633 1 14 . 1 1 591 591 ASN H H 591 9.347 9.347 9.265 0.082 25953 5634 1 14 . 1 1 592 592 GLY N N 592 104.628 104.628 101.879 2.749 25953 5635 1 14 . 1 1 592 592 GLY C C 592 172.842 172.842 174.008 -1.166 25953 5636 1 14 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.623 -0.342 25953 5637 1 14 . 1 1 592 592 GLY H H 592 8.990 8.990 8.674 0.316 25953 5638 1 14 . 1 1 593 593 LYS N N 593 120.387 120.387 118.971 1.416 25953 5639 1 14 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.533 -0.346 25953 5640 1 14 . 1 1 593 593 LYS C C 593 173.344 173.344 174.939 -1.595 25953 5641 1 14 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.867 -0.728 25953 5642 1 14 . 1 1 593 593 LYS CB C 593 34.946 34.946 35.638 -0.692 25953 5643 1 14 . 1 1 593 593 LYS H H 593 7.485 7.485 7.806 -0.321 25953 5644 1 14 . 1 1 594 594 TYR N N 594 119.730 119.730 119.781 -0.051 25953 5645 1 14 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.865 -0.034 25953 5646 1 14 . 1 1 594 594 TYR C C 594 173.851 173.851 175.504 -1.653 25953 5647 1 14 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.446 -0.518 25953 5648 1 14 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.551 -2.978 25953 5649 1 14 . 1 1 594 594 TYR H H 594 7.092 7.092 8.258 -1.166 25953 5650 1 14 . 1 1 595 595 PHE N N 595 116.435 116.435 117.465 -1.030 25953 5651 1 14 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.742 0.296 25953 5652 1 14 . 1 1 595 595 PHE C C 595 177.013 177.013 173.950 3.063 25953 5653 1 14 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.054 -1.526 25953 5654 1 14 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.150 1.248 25953 5655 1 14 . 1 1 595 595 PHE H H 595 8.459 8.459 8.796 -0.337 25953 5656 1 14 . 1 1 596 596 N N 596 118.187 118.187 10000.600 -9882.410 25953 5657 1 14 . 1 1 596 596 HA H 596 6.064 6.064 9999.690 -9993.630 25953 5658 1 14 . 1 1 596 596 CA C 596 58.668 58.668 9998.430 -9939.760 25953 5659 1 14 . 1 1 596 596 CB C 596 32.486 32.486 10000.900 -9968.410 25953 5660 1 14 . 1 1 596 596 H H 596 9.113 9.113 9999.780 -9990.670 25953 5661 1 14 . 1 1 597 597 SER N N 597 118.403 118.403 121.622 -3.219 25953 5662 1 14 . 1 1 597 597 SER HA H 597 4.798 4.798 4.255 0.543 25953 5663 1 14 . 1 1 597 597 SER C C 597 179.336 179.336 176.720 2.616 25953 5664 1 14 . 1 1 597 597 SER CA C 597 60.633 60.633 62.222 -1.589 25953 5665 1 14 . 1 1 597 597 SER CB C 597 62.965 62.965 63.447 -0.482 25953 5666 1 14 . 1 1 597 597 SER H H 597 8.110 8.110 9.147 -1.037 25953 5667 1 14 . 1 1 598 598 THR N N 598 111.927 111.927 116.225 -4.298 25953 5668 1 14 . 1 1 598 598 THR HA H 598 3.991 3.991 4.103 -0.112 25953 5669 1 14 . 1 1 598 598 THR C C 598 178.244 178.244 175.866 2.378 25953 5670 1 14 . 1 1 598 598 THR CA C 598 64.766 64.766 65.189 -0.423 25953 5671 1 14 . 1 1 598 598 THR CB C 598 67.467 67.467 68.236 -0.769 25953 5672 1 14 . 1 1 598 598 THR H H 598 9.120 9.120 8.607 0.513 25953 5673 1 14 . 1 1 599 599 N N 599 117.596 117.596 9999.650 -9882.050 25953 5674 1 14 . 1 1 599 599 HA H 599 4.055 4.055 9998.970 -9994.920 25953 5675 1 14 . 1 1 599 599 C C 599 177.266 177.266 10001.000 -9823.730 25953 5676 1 14 . 1 1 599 599 CA C 599 63.602 63.602 10002.500 -9938.900 25953 5677 1 14 . 1 1 599 599 CB C 599 30.014 30.014 9997.710 -9967.700 25953 5678 1 14 . 1 1 599 599 H H 599 6.935 6.935 9998.860 -9991.930 25953 5679 1 14 . 1 1 600 600 TYR N N 600 119.532 119.532 121.336 -1.804 25953 5680 1 14 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.174 -0.577 25953 5681 1 14 . 1 1 600 600 TYR C C 600 177.533 177.533 177.180 0.353 25953 5682 1 14 . 1 1 600 600 TYR CA C 600 62.134 62.134 60.826 1.308 25953 5683 1 14 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.230 1.191 25953 5684 1 14 . 1 1 600 600 TYR H H 600 8.396 8.396 8.760 -0.364 25953 5685 1 14 . 1 1 601 601 N N 601 117.457 117.457 9997.320 -9879.860 25953 5686 1 14 . 1 1 601 601 HA H 601 4.126 4.126 9998.660 -9994.530 25953 5687 1 14 . 1 1 601 601 CA C 601 60.119 60.119 10002.300 -9942.180 25953 5688 1 14 . 1 1 601 601 CB C 601 29.903 29.903 9999.050 -9969.150 25953 5689 1 14 . 1 1 601 601 H H 601 8.417 8.417 9998.940 -9990.520 25953 5690 1 14 . 1 1 602 602 GLU N N 602 118.228 118.228 116.632 1.596 25953 5691 1 14 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.287 -0.206 25953 5692 1 14 . 1 1 602 602 GLU C C 602 177.912 177.912 176.922 0.990 25953 5693 1 14 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.904 0.256 25953 5694 1 14 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.797 -1.065 25953 5695 1 14 . 1 1 602 602 GLU H H 602 8.094 8.094 7.755 0.339 25953 5696 1 14 . 1 1 603 603 THR N N 603 111.252 111.252 109.820 1.432 25953 5697 1 14 . 1 1 603 603 THR HA H 603 4.265 4.265 4.340 -0.075 25953 5698 1 14 . 1 1 603 603 THR C C 603 175.279 175.279 174.362 0.917 25953 5699 1 14 . 1 1 603 603 THR CA C 603 63.116 63.116 60.897 2.219 25953 5700 1 14 . 1 1 603 603 THR CB C 603 69.801 69.801 68.992 0.809 25953 5701 1 14 . 1 1 603 603 THR H H 603 7.578 7.578 7.314 0.264 25953 5702 1 14 . 1 1 604 604 SER N N 604 117.291 117.291 117.021 0.270 25953 5703 1 14 . 1 1 604 604 SER HA H 604 4.221 4.221 2.876 1.345 25953 5704 1 14 . 1 1 604 604 SER C C 604 174.838 174.838 173.967 0.871 25953 5705 1 14 . 1 1 604 604 SER CA C 604 59.105 59.105 58.428 0.677 25953 5706 1 14 . 1 1 604 604 SER CB C 604 63.387 63.387 63.334 0.053 25953 5707 1 14 . 1 1 604 604 SER H H 604 7.849 7.849 7.488 0.361 25953 5708 1 14 . 1 1 605 605 GLN N N 605 120.747 120.747 124.149 -3.402 25953 5709 1 14 . 1 1 605 605 GLN C C 605 175.801 175.801 177.035 -1.234 25953 5710 1 14 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.184 0.896 25953 5711 1 14 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.288 -1.363 25953 5712 1 14 . 1 1 605 605 GLN H H 605 7.971 7.971 7.881 0.090 25953 5713 1 15 . 1 1 535 535 SER HA H 535 4.465 4.465 4.684 -0.219 25953 5714 1 15 . 1 1 535 535 SER C C 535 174.718 174.718 174.305 0.413 25953 5715 1 15 . 1 1 535 535 SER CA C 535 58.323 58.323 58.073 0.250 25953 5716 1 15 . 1 1 535 535 SER CB C 535 63.845 63.845 65.749 -1.904 25953 5717 1 15 . 1 1 536 536 GLU N N 536 122.899 122.899 123.109 -0.210 25953 5718 1 15 . 1 1 536 536 GLU HA H 536 4.201 4.201 3.795 0.406 25953 5719 1 15 . 1 1 536 536 GLU C C 536 176.241 176.241 175.493 0.748 25953 5720 1 15 . 1 1 536 536 GLU CA C 536 57.077 57.077 58.133 -1.056 25953 5721 1 15 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.377 0.456 25953 5722 1 15 . 1 1 536 536 GLU H H 536 8.638 8.638 8.891 -0.253 25953 5723 1 15 . 1 1 537 537 PHE N N 537 120.390 120.390 120.084 0.306 25953 5724 1 15 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.716 -0.075 25953 5725 1 15 . 1 1 537 537 PHE C C 537 176.005 176.005 175.627 0.378 25953 5726 1 15 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.279 0.525 25953 5727 1 15 . 1 1 537 537 PHE CB C 537 39.450 39.450 40.441 -0.991 25953 5728 1 15 . 1 1 537 537 PHE H H 537 8.266 8.266 7.898 0.368 25953 5729 1 15 . 1 1 538 538 SER N N 538 117.148 117.148 119.376 -2.228 25953 5730 1 15 . 1 1 538 538 SER HA H 538 4.399 4.399 4.506 -0.107 25953 5731 1 15 . 1 1 538 538 SER C C 538 174.167 174.167 174.049 0.118 25953 5732 1 15 . 1 1 538 538 SER CA C 538 58.437 58.437 58.027 0.410 25953 5733 1 15 . 1 1 538 538 SER CB C 538 63.956 63.956 63.976 -0.020 25953 5734 1 15 . 1 1 538 538 SER H H 538 8.194 8.194 8.632 -0.438 25953 5735 1 15 . 1 1 539 539 ASP N N 539 122.404 122.404 123.715 -1.311 25953 5736 1 15 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.622 -0.036 25953 5737 1 15 . 1 1 539 539 ASP C C 539 176.496 176.496 176.826 -0.330 25953 5738 1 15 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.411 0.060 25953 5739 1 15 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.546 -0.525 25953 5740 1 15 . 1 1 539 539 ASP H H 539 8.333 8.333 8.686 -0.353 25953 5741 1 15 . 1 1 540 540 ARG N N 540 121.337 121.337 125.221 -3.884 25953 5742 1 15 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.453 -0.090 25953 5743 1 15 . 1 1 540 540 ARG C C 540 176.889 176.889 176.757 0.132 25953 5744 1 15 . 1 1 540 540 ARG CA C 540 56.406 56.406 54.956 1.450 25953 5745 1 15 . 1 1 540 540 ARG CB C 540 30.365 30.365 29.714 0.651 25953 5746 1 15 . 1 1 540 540 ARG H H 540 8.293 8.293 8.549 -0.256 25953 5747 1 15 . 1 1 541 541 SER N N 541 116.606 116.606 116.363 0.243 25953 5748 1 15 . 1 1 541 541 SER HA H 541 4.319 4.319 4.368 -0.049 25953 5749 1 15 . 1 1 541 541 SER C C 541 175.060 175.060 174.887 0.173 25953 5750 1 15 . 1 1 541 541 SER CA C 541 59.655 59.655 58.403 1.252 25953 5751 1 15 . 1 1 541 541 SER CB C 541 63.417 63.417 63.767 -0.350 25953 5752 1 15 . 1 1 541 541 SER H H 541 8.369 8.369 8.176 0.193 25953 5753 1 15 . 1 1 542 542 ASN N N 542 120.759 120.759 125.787 -5.028 25953 5754 1 15 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.935 -0.235 25953 5755 1 15 . 1 1 542 542 ASN C C 542 175.903 175.903 176.077 -0.174 25953 5756 1 15 . 1 1 542 542 ASN CA C 542 53.788 53.788 53.564 0.224 25953 5757 1 15 . 1 1 542 542 ASN CB C 542 38.728 38.728 39.169 -0.441 25953 5758 1 15 . 1 1 542 542 ASN H H 542 8.451 8.451 8.688 -0.237 25953 5759 1 15 . 1 1 543 543 GLU N N 543 120.886 120.886 121.312 -0.426 25953 5760 1 15 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.146 -0.155 25953 5761 1 15 . 1 1 543 543 GLU C C 543 177.658 177.658 177.952 -0.294 25953 5762 1 15 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.996 -0.207 25953 5763 1 15 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.726 0.028 25953 5764 1 15 . 1 1 543 543 GLU H H 543 8.257 8.257 7.824 0.433 25953 5765 1 15 . 1 1 544 544 LEU N N 544 119.978 119.978 117.102 2.876 25953 5766 1 15 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.338 -0.251 25953 5767 1 15 . 1 1 544 544 LEU C C 544 179.340 179.340 179.204 0.136 25953 5768 1 15 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.066 1.132 25953 5769 1 15 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.823 -0.212 25953 5770 1 15 . 1 1 544 544 LEU H H 544 8.104 8.104 7.942 0.162 25953 5771 1 15 . 1 1 545 545 GLU N N 545 120.432 120.432 120.452 -0.020 25953 5772 1 15 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.122 -0.062 25953 5773 1 15 . 1 1 545 545 GLU C C 545 178.371 178.371 178.941 -0.570 25953 5774 1 15 . 1 1 545 545 GLU CA C 545 58.243 58.243 58.799 -0.556 25953 5775 1 15 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.216 0.349 25953 5776 1 15 . 1 1 545 545 GLU H H 545 7.995 7.995 7.785 0.210 25953 5777 1 15 . 1 1 546 546 ILE N N 546 119.751 119.751 118.753 0.998 25953 5778 1 15 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.755 -0.131 25953 5779 1 15 . 1 1 546 546 ILE C C 546 178.857 178.857 178.299 0.558 25953 5780 1 15 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.034 -0.195 25953 5781 1 15 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.913 0.742 25953 5782 1 15 . 1 1 546 546 ILE H H 546 7.828 7.828 7.444 0.384 25953 5783 1 15 . 1 1 547 547 ARG N N 547 120.304 120.304 117.959 2.345 25953 5784 1 15 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.415 -0.058 25953 5785 1 15 . 1 1 547 547 ARG C C 547 176.842 176.842 177.897 -1.055 25953 5786 1 15 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.340 -0.466 25953 5787 1 15 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.105 0.355 25953 5788 1 15 . 1 1 547 547 ARG H H 547 8.313 8.313 7.571 0.742 25953 5789 1 15 . 1 1 548 548 GLY N N 548 104.777 104.777 104.617 0.160 25953 5790 1 15 . 1 1 548 548 GLY C C 548 175.105 175.105 174.754 0.351 25953 5791 1 15 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.751 0.709 25953 5792 1 15 . 1 1 548 548 GLY H H 548 7.823 7.823 7.573 0.250 25953 5793 1 15 . 1 1 549 549 LYS N N 549 122.134 122.134 121.201 0.933 25953 5794 1 15 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.499 -0.122 25953 5795 1 15 . 1 1 549 549 LYS C C 549 175.156 175.156 174.992 0.164 25953 5796 1 15 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.887 0.486 25953 5797 1 15 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.437 -1.290 25953 5798 1 15 . 1 1 549 549 LYS H H 549 7.257 7.257 7.437 -0.180 25953 5799 1 15 . 1 1 550 550 TYR N N 550 117.482 117.482 116.155 1.327 25953 5800 1 15 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.761 -0.003 25953 5801 1 15 . 1 1 550 550 TYR C C 550 174.650 174.650 174.183 0.467 25953 5802 1 15 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.842 0.188 25953 5803 1 15 . 1 1 550 550 TYR CB C 550 42.227 42.227 42.134 0.093 25953 5804 1 15 . 1 1 550 550 TYR H H 550 8.108 8.108 7.894 0.214 25953 5805 1 15 . 1 1 551 551 VAL N N 551 117.964 117.964 115.343 2.621 25953 5806 1 15 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.588 -0.129 25953 5807 1 15 . 1 1 551 551 VAL C C 551 174.974 174.974 174.328 0.646 25953 5808 1 15 . 1 1 551 551 VAL CA C 551 60.038 60.038 60.591 -0.553 25953 5809 1 15 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.882 0.911 25953 5810 1 15 . 1 1 551 551 VAL H H 551 8.549 8.549 8.613 -0.064 25953 5811 1 15 . 1 1 552 552 VAL N N 552 126.679 126.679 125.358 1.321 25953 5812 1 15 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.254 -0.095 25953 5813 1 15 . 1 1 552 552 VAL C C 552 175.545 175.545 175.262 0.283 25953 5814 1 15 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.721 0.431 25953 5815 1 15 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.514 -0.556 25953 5816 1 15 . 1 1 552 552 VAL H H 552 8.642 8.642 8.555 0.087 25953 5817 1 15 . 1 1 553 553 VAL N N 553 129.744 129.744 128.682 1.062 25953 5818 1 15 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.064 -1.605 25953 5819 1 15 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.268 2.900 25953 5820 1 15 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.922 -2.538 25953 5821 1 15 . 1 1 553 553 VAL H H 553 8.341 8.341 8.411 -0.070 25953 5822 1 15 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.484 -0.096 25953 5823 1 15 . 1 1 554 554 PRO C C 554 178.374 178.374 177.370 1.004 25953 5824 1 15 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.560 0.016 25953 5825 1 15 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.262 0.493 25953 5826 1 15 . 1 1 555 555 GLU N N 555 122.440 122.440 120.966 1.474 25953 5827 1 15 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.947 0.107 25953 5828 1 15 . 1 1 555 555 GLU C C 555 176.757 176.757 176.852 -0.095 25953 5829 1 15 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.662 -0.161 25953 5830 1 15 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.050 0.363 25953 5831 1 15 . 1 1 555 555 GLU H H 555 8.904 8.904 8.738 0.166 25953 5832 1 15 . 1 1 556 556 THR N N 556 104.703 104.703 108.030 -3.327 25953 5833 1 15 . 1 1 556 556 THR HA H 556 4.152 4.152 4.193 -0.041 25953 5834 1 15 . 1 1 556 556 THR C C 556 175.161 175.161 174.695 0.466 25953 5835 1 15 . 1 1 556 556 THR CA C 556 61.379 61.379 62.536 -1.157 25953 5836 1 15 . 1 1 556 556 THR CB C 556 68.976 68.976 68.620 0.356 25953 5837 1 15 . 1 1 556 556 THR H H 556 7.160 7.160 7.690 -0.530 25953 5838 1 15 . 1 1 557 557 SER N N 557 116.705 116.705 118.856 -2.151 25953 5839 1 15 . 1 1 557 557 SER HA H 557 4.529 4.529 4.350 0.179 25953 5840 1 15 . 1 1 557 557 SER C C 557 175.325 175.325 174.570 0.755 25953 5841 1 15 . 1 1 557 557 SER CA C 557 58.036 58.036 58.402 -0.366 25953 5842 1 15 . 1 1 557 557 SER CB C 557 63.214 63.214 63.277 -0.063 25953 5843 1 15 . 1 1 557 557 SER H H 557 7.405 7.405 7.408 -0.003 25953 5844 1 15 . 1 1 558 558 GLN N N 558 127.356 127.356 129.058 -1.702 25953 5845 1 15 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.158 0.011 25953 5846 1 15 . 1 1 558 558 GLN C C 558 176.491 176.491 175.771 0.720 25953 5847 1 15 . 1 1 558 558 GLN CA C 558 57.594 57.594 57.393 0.201 25953 5848 1 15 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.283 0.490 25953 5849 1 15 . 1 1 558 558 GLN H H 558 8.915 8.915 8.917 -0.002 25953 5850 1 15 . 1 1 559 559 ASP N N 559 116.840 116.840 121.149 -4.309 25953 5851 1 15 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.141 0.344 25953 5852 1 15 . 1 1 559 559 ASP C C 559 175.554 175.554 175.892 -0.338 25953 5853 1 15 . 1 1 559 559 ASP CA C 559 53.203 53.203 55.536 -2.333 25953 5854 1 15 . 1 1 559 559 ASP CB C 559 40.526 40.526 39.398 1.128 25953 5855 1 15 . 1 1 559 559 ASP H H 559 8.275 8.275 9.017 -0.742 25953 5856 1 15 . 1 1 560 560 MET N N 560 112.866 112.866 111.574 1.292 25953 5857 1 15 . 1 1 560 560 MET HA H 560 3.899 3.899 3.736 0.163 25953 5858 1 15 . 1 1 560 560 MET C C 560 175.044 175.044 174.664 0.380 25953 5859 1 15 . 1 1 560 560 MET CA C 560 56.400 56.400 56.367 0.033 25953 5860 1 15 . 1 1 560 560 MET CB C 560 30.933 30.933 29.888 1.045 25953 5861 1 15 . 1 1 560 560 MET H H 560 7.935 7.935 7.885 0.050 25953 5862 1 15 . 1 1 561 561 ALA N N 561 122.207 122.207 120.668 1.539 25953 5863 1 15 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.798 0.113 25953 5864 1 15 . 1 1 561 561 ALA C C 561 176.577 176.577 175.992 0.585 25953 5865 1 15 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.218 -0.241 25953 5866 1 15 . 1 1 561 561 ALA CB C 561 23.287 23.287 21.968 1.319 25953 5867 1 15 . 1 1 561 561 ALA H H 561 7.910 7.910 7.771 0.139 25953 5868 1 15 . 1 1 562 562 PHE N N 562 117.027 117.027 123.692 -6.665 25953 5869 1 15 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.666 -0.030 25953 5870 1 15 . 1 1 562 562 PHE C C 562 170.988 170.988 173.554 -2.566 25953 5871 1 15 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.402 -1.172 25953 5872 1 15 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.833 -2.787 25953 5873 1 15 . 1 1 562 562 PHE H H 562 8.075 8.075 8.868 -0.793 25953 5874 1 15 . 1 1 563 563 LYS N N 563 120.420 120.420 126.846 -6.426 25953 5875 1 15 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.101 0.399 25953 5876 1 15 . 1 1 563 563 LYS C C 563 176.093 176.093 175.506 0.587 25953 5877 1 15 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.019 -1.217 25953 5878 1 15 . 1 1 563 563 LYS CB C 563 33.679 33.679 31.810 1.869 25953 5879 1 15 . 1 1 563 563 LYS H H 563 8.392 8.392 7.153 1.239 25953 5880 1 15 . 1 1 564 564 N N 564 132.535 132.535 10008.700 -9876.170 25953 5881 1 15 . 1 1 564 564 HA H 564 4.639 4.639 9998.900 -9994.260 25953 5882 1 15 . 1 1 564 564 C C 564 175.820 175.820 9997.900 -9822.080 25953 5883 1 15 . 1 1 564 564 CA C 564 57.545 57.545 9996.730 -9939.190 25953 5884 1 15 . 1 1 564 564 CB C 564 30.650 30.650 9997.850 -9967.200 25953 5885 1 15 . 1 1 564 564 H H 564 8.456 8.456 9999.280 -9990.820 25953 5886 1 15 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.268 0.112 25953 5887 1 15 . 1 1 565 565 PRO C C 565 177.300 177.300 177.046 0.254 25953 5888 1 15 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.195 -0.802 25953 5889 1 15 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.834 1.171 25953 5890 1 15 . 1 1 566 566 ILE N N 566 118.529 118.529 118.564 -0.035 25953 5891 1 15 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.960 0.171 25953 5892 1 15 . 1 1 566 566 ILE C C 566 176.361 176.361 177.453 -1.092 25953 5893 1 15 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.636 0.063 25953 5894 1 15 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.572 0.225 25953 5895 1 15 . 1 1 566 566 ILE H H 566 8.528 8.528 8.391 0.137 25953 5896 1 15 . 1 1 567 567 N N 567 116.646 116.646 9993.840 -9877.190 25953 5897 1 15 . 1 1 567 567 HA H 567 4.932 4.932 9999.380 -9994.450 25953 5898 1 15 . 1 1 567 567 C C 567 176.175 176.175 9999.140 -9822.960 25953 5899 1 15 . 1 1 567 567 CA C 567 58.801 58.801 9997.070 -9938.270 25953 5900 1 15 . 1 1 567 567 CB C 567 31.243 31.243 10000.900 -9969.660 25953 5901 1 15 . 1 1 567 567 H H 567 7.770 7.770 9998.620 -9990.850 25953 5902 1 15 . 1 1 568 568 LYS N N 568 116.867 116.867 120.136 -3.269 25953 5903 1 15 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.004 0.011 25953 5904 1 15 . 1 1 568 568 LYS C C 568 175.290 175.290 175.226 0.064 25953 5905 1 15 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.492 0.382 25953 5906 1 15 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.906 -1.271 25953 5907 1 15 . 1 1 568 568 LYS H H 568 8.038 8.038 8.262 -0.224 25953 5908 1 15 . 1 1 569 569 GLU N N 569 120.683 120.683 118.164 2.519 25953 5909 1 15 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.581 -0.109 25953 5910 1 15 . 1 1 569 569 GLU C C 569 175.851 175.851 175.861 -0.010 25953 5911 1 15 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.557 1.644 25953 5912 1 15 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.994 -1.651 25953 5913 1 15 . 1 1 569 569 GLU H H 569 8.380 8.380 7.711 0.669 25953 5914 1 15 . 1 1 570 570 THR N N 570 118.082 118.082 118.941 -0.859 25953 5915 1 15 . 1 1 570 570 THR HA H 570 4.378 4.378 4.608 -0.230 25953 5916 1 15 . 1 1 570 570 THR C C 570 174.070 174.070 174.802 -0.732 25953 5917 1 15 . 1 1 570 570 THR CA C 570 63.174 63.174 62.885 0.289 25953 5918 1 15 . 1 1 570 570 THR CB C 570 69.853 69.853 69.192 0.661 25953 5919 1 15 . 1 1 570 570 THR H H 570 8.565 8.565 8.558 0.007 25953 5920 1 15 . 1 1 571 571 VAL N N 571 132.533 132.533 127.197 5.336 25953 5921 1 15 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.600 -0.729 25953 5922 1 15 . 1 1 571 571 VAL C C 571 174.198 174.198 174.691 -0.493 25953 5923 1 15 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.142 1.928 25953 5924 1 15 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.766 -1.836 25953 5925 1 15 . 1 1 571 571 VAL H H 571 8.740 8.740 8.780 -0.040 25953 5926 1 15 . 1 1 572 572 THR N N 572 116.229 116.229 119.184 -2.955 25953 5927 1 15 . 1 1 572 572 THR HA H 572 5.243 5.243 5.388 -0.145 25953 5928 1 15 . 1 1 572 572 THR C C 572 175.803 175.803 175.035 0.768 25953 5929 1 15 . 1 1 572 572 THR CA C 572 60.095 60.095 59.827 0.268 25953 5930 1 15 . 1 1 572 572 THR CB C 572 70.889 70.889 71.612 -0.723 25953 5931 1 15 . 1 1 572 572 THR H H 572 8.089 8.089 8.343 -0.254 25953 5932 1 15 . 1 1 573 573 GLY N N 573 110.544 110.544 110.630 -0.086 25953 5933 1 15 . 1 1 573 573 GLY C C 573 172.769 172.769 173.793 -1.024 25953 5934 1 15 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.856 1.578 25953 5935 1 15 . 1 1 573 573 GLY H H 573 8.871 8.871 8.356 0.515 25953 5936 1 15 . 1 1 574 574 VAL N N 574 120.833 120.833 119.561 1.272 25953 5937 1 15 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.768 0.059 25953 5938 1 15 . 1 1 574 574 VAL C C 574 173.472 173.472 174.135 -0.663 25953 5939 1 15 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.821 0.180 25953 5940 1 15 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.579 0.060 25953 5941 1 15 . 1 1 574 574 VAL H H 574 9.473 9.473 8.747 0.726 25953 5942 1 15 . 1 1 575 575 TYR N N 575 126.796 126.796 125.293 1.503 25953 5943 1 15 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.263 -0.702 25953 5944 1 15 . 1 1 575 575 TYR C C 575 174.622 174.622 174.969 -0.347 25953 5945 1 15 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.255 -0.023 25953 5946 1 15 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.686 -1.422 25953 5947 1 15 . 1 1 575 575 TYR H H 575 8.410 8.410 8.564 -0.154 25953 5948 1 15 . 1 1 576 576 ASP N N 576 130.548 130.548 127.209 3.339 25953 5949 1 15 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.497 -0.067 25953 5950 1 15 . 1 1 576 576 ASP C C 576 174.399 174.399 175.455 -1.056 25953 5951 1 15 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.242 0.267 25953 5952 1 15 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.823 -0.811 25953 5953 1 15 . 1 1 576 576 ASP H H 576 8.228 8.228 8.277 -0.049 25953 5954 1 15 . 1 1 577 577 GLU N N 577 125.178 125.178 124.422 0.756 25953 5955 1 15 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.094 -0.515 25953 5956 1 15 . 1 1 577 577 GLU C C 577 178.103 178.103 176.997 1.106 25953 5957 1 15 . 1 1 577 577 GLU CA C 577 58.707 58.707 58.050 0.657 25953 5958 1 15 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.928 -0.418 25953 5959 1 15 . 1 1 577 577 GLU H H 577 8.480 8.480 8.633 -0.153 25953 5960 1 15 . 1 1 578 578 GLU N N 578 117.933 117.933 119.058 -1.125 25953 5961 1 15 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.208 -0.239 25953 5962 1 15 . 1 1 578 578 GLU C C 578 177.632 177.632 178.157 -0.525 25953 5963 1 15 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.313 0.726 25953 5964 1 15 . 1 1 578 578 GLU CB C 578 29.386 29.386 30.086 -0.700 25953 5965 1 15 . 1 1 578 578 GLU H H 578 8.126 8.126 8.014 0.112 25953 5966 1 15 . 1 1 579 579 SER N N 579 111.483 111.483 113.196 -1.713 25953 5967 1 15 . 1 1 579 579 SER HA H 579 4.343 4.343 4.373 -0.030 25953 5968 1 15 . 1 1 579 579 SER C C 579 176.070 176.070 175.698 0.372 25953 5969 1 15 . 1 1 579 579 SER CA C 579 58.557 58.557 58.870 -0.313 25953 5970 1 15 . 1 1 579 579 SER CB C 579 64.809 64.809 64.903 -0.094 25953 5971 1 15 . 1 1 579 579 SER H H 579 7.510 7.510 8.452 -0.942 25953 5972 1 15 . 1 1 580 580 GLY N N 580 113.307 113.307 110.193 3.114 25953 5973 1 15 . 1 1 580 580 GLY C C 580 173.600 173.600 173.411 0.189 25953 5974 1 15 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.244 0.862 25953 5975 1 15 . 1 1 580 580 GLY H H 580 8.196 8.196 7.666 0.530 25953 5976 1 15 . 1 1 581 581 GLU N N 581 116.623 116.623 117.682 -1.059 25953 5977 1 15 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.825 -0.120 25953 5978 1 15 . 1 1 581 581 GLU C C 581 174.750 174.750 174.220 0.530 25953 5979 1 15 . 1 1 581 581 GLU CA C 581 53.869 53.869 54.032 -0.163 25953 5980 1 15 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.515 -0.905 25953 5981 1 15 . 1 1 581 581 GLU H H 581 6.994 6.994 7.281 -0.287 25953 5982 1 15 . 1 1 582 582 TRP N N 582 122.364 122.364 118.829 3.535 25953 5983 1 15 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.013 -0.212 25953 5984 1 15 . 1 1 582 582 TRP C C 582 176.750 176.750 176.487 0.263 25953 5985 1 15 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.556 -0.523 25953 5986 1 15 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.792 -1.935 25953 5987 1 15 . 1 1 582 582 TRP H H 582 8.841 8.841 8.787 0.054 25953 5988 1 15 . 1 1 583 583 VAL N N 583 115.147 115.147 119.464 -4.317 25953 5989 1 15 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.941 0.175 25953 5990 1 15 . 1 1 583 583 VAL C C 583 175.063 175.063 174.082 0.981 25953 5991 1 15 . 1 1 583 583 VAL CA C 583 59.398 59.398 61.089 -1.691 25953 5992 1 15 . 1 1 583 583 VAL CB C 583 36.769 36.769 37.030 -0.261 25953 5993 1 15 . 1 1 583 583 VAL H H 583 9.440 9.440 9.355 0.085 25953 5994 1 15 . 1 1 584 584 TRP N N 584 123.710 123.710 127.081 -3.371 25953 5995 1 15 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.134 0.116 25953 5996 1 15 . 1 1 584 584 TRP C C 584 176.436 176.436 174.950 1.486 25953 5997 1 15 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.795 -0.394 25953 5998 1 15 . 1 1 584 584 TRP CB C 584 28.443 28.443 31.172 -2.729 25953 5999 1 15 . 1 1 584 584 TRP H H 584 9.295 9.295 9.333 -0.038 25953 6000 1 15 . 1 1 585 585 LYS N N 585 122.031 122.031 124.397 -2.366 25953 6001 1 15 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.696 -0.133 25953 6002 1 15 . 1 1 585 585 LYS C C 585 178.886 178.886 177.496 1.390 25953 6003 1 15 . 1 1 585 585 LYS CA C 585 56.313 56.313 55.164 1.149 25953 6004 1 15 . 1 1 585 585 LYS CB C 585 33.433 33.433 33.999 -0.566 25953 6005 1 15 . 1 1 585 585 LYS H H 585 8.689 8.689 8.609 0.080 25953 6006 1 15 . 1 1 586 586 ASN N N 586 123.634 123.634 122.071 1.563 25953 6007 1 15 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.519 0.384 25953 6008 1 15 . 1 1 586 586 ASN C C 586 176.043 176.043 173.834 2.209 25953 6009 1 15 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.638 0.064 25953 6010 1 15 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.306 -0.254 25953 6011 1 15 . 1 1 586 586 ASN H H 586 8.830 8.830 9.044 -0.214 25953 6012 1 15 . 1 1 587 587 THR N N 587 114.536 114.536 113.296 1.240 25953 6013 1 15 . 1 1 587 587 THR HA H 587 5.482 5.482 5.188 0.294 25953 6014 1 15 . 1 1 587 587 THR C C 587 171.882 171.882 173.190 -1.308 25953 6015 1 15 . 1 1 587 587 THR CA C 587 63.252 63.252 61.660 1.592 25953 6016 1 15 . 1 1 587 587 THR CB C 587 73.106 73.106 71.882 1.224 25953 6017 1 15 . 1 1 587 587 THR H H 587 8.179 8.179 7.682 0.497 25953 6018 1 15 . 1 1 588 588 ILE N N 588 120.751 120.751 122.541 -1.790 25953 6019 1 15 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.491 -0.060 25953 6020 1 15 . 1 1 588 588 ILE C C 588 171.550 171.550 172.967 -1.417 25953 6021 1 15 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.351 -0.391 25953 6022 1 15 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.430 1.922 25953 6023 1 15 . 1 1 588 588 ILE H H 588 8.984 8.984 9.101 -0.117 25953 6024 1 15 . 1 1 589 589 GLU N N 589 125.535 125.535 128.809 -3.274 25953 6025 1 15 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.659 0.152 25953 6026 1 15 . 1 1 589 589 GLU C C 589 175.587 175.587 174.487 1.100 25953 6027 1 15 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.446 -0.285 25953 6028 1 15 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.606 0.017 25953 6029 1 15 . 1 1 589 589 GLU H H 589 8.337 8.337 8.233 0.104 25953 6030 1 15 . 1 1 590 590 VAL N N 590 126.684 126.684 125.071 1.613 25953 6031 1 15 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.305 -0.318 25953 6032 1 15 . 1 1 590 590 VAL C C 590 176.078 176.078 175.728 0.350 25953 6033 1 15 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.029 0.545 25953 6034 1 15 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.582 -0.754 25953 6035 1 15 . 1 1 590 590 VAL H H 590 9.013 9.013 9.134 -0.121 25953 6036 1 15 . 1 1 591 591 ASN N N 591 127.075 127.075 126.434 0.641 25953 6037 1 15 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.380 -0.077 25953 6038 1 15 . 1 1 591 591 ASN C C 591 175.223 175.223 175.485 -0.262 25953 6039 1 15 . 1 1 591 591 ASN CA C 591 54.048 54.048 53.643 0.405 25953 6040 1 15 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.534 -0.765 25953 6041 1 15 . 1 1 591 591 ASN H H 591 9.347 9.347 9.255 0.092 25953 6042 1 15 . 1 1 592 592 GLY N N 592 104.628 104.628 103.659 0.969 25953 6043 1 15 . 1 1 592 592 GLY C C 592 172.842 172.842 173.506 -0.664 25953 6044 1 15 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.191 0.090 25953 6045 1 15 . 1 1 592 592 GLY H H 592 8.990 8.990 8.271 0.719 25953 6046 1 15 . 1 1 593 593 LYS N N 593 120.387 120.387 119.605 0.782 25953 6047 1 15 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.657 -0.470 25953 6048 1 15 . 1 1 593 593 LYS C C 593 173.344 173.344 174.933 -1.589 25953 6049 1 15 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.215 -1.077 25953 6050 1 15 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.809 0.137 25953 6051 1 15 . 1 1 593 593 LYS H H 593 7.485 7.485 7.892 -0.407 25953 6052 1 15 . 1 1 594 594 TYR N N 594 119.730 119.730 120.193 -0.463 25953 6053 1 15 . 1 1 594 594 TYR HA H 594 4.831 4.831 5.161 -0.330 25953 6054 1 15 . 1 1 594 594 TYR C C 594 173.851 173.851 175.585 -1.734 25953 6055 1 15 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.176 -0.248 25953 6056 1 15 . 1 1 594 594 TYR CB C 594 37.574 37.574 41.746 -4.172 25953 6057 1 15 . 1 1 594 594 TYR H H 594 7.092 7.092 8.470 -1.378 25953 6058 1 15 . 1 1 595 595 PHE N N 595 116.435 116.435 116.757 -0.322 25953 6059 1 15 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.804 0.234 25953 6060 1 15 . 1 1 595 595 PHE C C 595 177.013 177.013 174.138 2.875 25953 6061 1 15 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.278 -1.750 25953 6062 1 15 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.342 1.056 25953 6063 1 15 . 1 1 595 595 PHE H H 595 8.459 8.459 9.114 -0.655 25953 6064 1 15 . 1 1 596 596 N N 596 118.187 118.187 10001.100 -9882.910 25953 6065 1 15 . 1 1 596 596 HA H 596 6.064 6.064 9999.570 -9993.510 25953 6066 1 15 . 1 1 596 596 CA C 596 58.668 58.668 9998.510 -9939.840 25953 6067 1 15 . 1 1 596 596 CB C 596 32.486 32.486 10000.700 -9968.210 25953 6068 1 15 . 1 1 596 596 H H 596 9.113 9.113 9999.770 -9990.660 25953 6069 1 15 . 1 1 597 597 SER N N 597 118.403 118.403 121.543 -3.140 25953 6070 1 15 . 1 1 597 597 SER HA H 597 4.798 4.798 4.279 0.519 25953 6071 1 15 . 1 1 597 597 SER C C 597 179.336 179.336 176.598 2.738 25953 6072 1 15 . 1 1 597 597 SER CA C 597 60.633 60.633 61.725 -1.092 25953 6073 1 15 . 1 1 597 597 SER CB C 597 62.965 62.965 63.519 -0.554 25953 6074 1 15 . 1 1 597 597 SER H H 597 8.110 8.110 8.980 -0.870 25953 6075 1 15 . 1 1 598 598 THR N N 598 111.927 111.927 116.313 -4.386 25953 6076 1 15 . 1 1 598 598 THR HA H 598 3.991 3.991 4.282 -0.291 25953 6077 1 15 . 1 1 598 598 THR C C 598 178.244 178.244 176.170 2.074 25953 6078 1 15 . 1 1 598 598 THR CA C 598 64.766 64.766 65.526 -0.760 25953 6079 1 15 . 1 1 598 598 THR CB C 598 67.467 67.467 68.405 -0.938 25953 6080 1 15 . 1 1 598 598 THR H H 598 9.120 9.120 8.034 1.086 25953 6081 1 15 . 1 1 599 599 N N 599 117.596 117.596 10000.400 -9882.800 25953 6082 1 15 . 1 1 599 599 HA H 599 4.055 4.055 9998.930 -9994.880 25953 6083 1 15 . 1 1 599 599 C C 599 177.266 177.266 10000.700 -9823.430 25953 6084 1 15 . 1 1 599 599 CA C 599 63.602 63.602 10002.700 -9939.100 25953 6085 1 15 . 1 1 599 599 CB C 599 30.014 30.014 9997.200 -9967.190 25953 6086 1 15 . 1 1 599 599 H H 599 6.935 6.935 9998.690 -9991.760 25953 6087 1 15 . 1 1 600 600 TYR N N 600 119.532 119.532 120.812 -1.280 25953 6088 1 15 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.009 -0.412 25953 6089 1 15 . 1 1 600 600 TYR C C 600 177.533 177.533 177.490 0.043 25953 6090 1 15 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.855 0.279 25953 6091 1 15 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.279 1.142 25953 6092 1 15 . 1 1 600 600 TYR H H 600 8.396 8.396 8.840 -0.444 25953 6093 1 15 . 1 1 601 601 N N 601 117.457 117.457 9998.450 -9880.990 25953 6094 1 15 . 1 1 601 601 HA H 601 4.126 4.126 9998.730 -9994.600 25953 6095 1 15 . 1 1 601 601 CA C 601 60.119 60.119 10001.900 -9941.780 25953 6096 1 15 . 1 1 601 601 CB C 601 29.903 29.903 9999.310 -9969.410 25953 6097 1 15 . 1 1 601 601 H H 601 8.417 8.417 9999.330 -9990.910 25953 6098 1 15 . 1 1 602 602 GLU N N 602 118.228 118.228 118.529 -0.301 25953 6099 1 15 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.049 0.032 25953 6100 1 15 . 1 1 602 602 GLU C C 602 177.912 177.912 178.192 -0.280 25953 6101 1 15 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.467 -0.307 25953 6102 1 15 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.218 -0.485 25953 6103 1 15 . 1 1 602 602 GLU H H 602 8.094 8.094 7.898 0.196 25953 6104 1 15 . 1 1 603 603 THR N N 603 111.252 111.252 113.523 -2.271 25953 6105 1 15 . 1 1 603 603 THR HA H 603 4.265 4.265 4.081 0.184 25953 6106 1 15 . 1 1 603 603 THR C C 603 175.279 175.279 174.385 0.894 25953 6107 1 15 . 1 1 603 603 THR CA C 603 63.116 63.116 64.322 -1.206 25953 6108 1 15 . 1 1 603 603 THR CB C 603 69.801 69.801 69.406 0.395 25953 6109 1 15 . 1 1 603 603 THR H H 603 7.578 7.578 7.921 -0.343 25953 6110 1 15 . 1 1 604 604 SER N N 604 117.291 117.291 113.968 3.323 25953 6111 1 15 . 1 1 604 604 SER HA H 604 4.221 4.221 3.688 0.533 25953 6112 1 15 . 1 1 604 604 SER C C 604 174.838 174.838 174.514 0.324 25953 6113 1 15 . 1 1 604 604 SER CA C 604 59.105 59.105 58.690 0.415 25953 6114 1 15 . 1 1 604 604 SER CB C 604 63.387 63.387 62.025 1.362 25953 6115 1 15 . 1 1 604 604 SER H H 604 7.849 7.849 7.895 -0.046 25953 6116 1 15 . 1 1 605 605 GLN N N 605 120.747 120.747 119.967 0.780 25953 6117 1 15 . 1 1 605 605 GLN C C 605 175.801 175.801 175.420 0.381 25953 6118 1 15 . 1 1 605 605 GLN CA C 605 56.080 56.080 54.829 1.251 25953 6119 1 15 . 1 1 605 605 GLN CB C 605 28.926 28.926 27.061 1.865 25953 6120 1 15 . 1 1 605 605 GLN H H 605 7.971 7.971 8.034 -0.063 25953 6121 1 16 . 1 1 535 535 SER HA H 535 4.465 4.465 4.319 0.146 25953 6122 1 16 . 1 1 535 535 SER C C 535 174.718 174.718 174.699 0.019 25953 6123 1 16 . 1 1 535 535 SER CA C 535 58.323 58.323 59.385 -1.062 25953 6124 1 16 . 1 1 535 535 SER CB C 535 63.845 63.845 62.879 0.966 25953 6125 1 16 . 1 1 536 536 GLU N N 536 122.899 122.899 120.309 2.590 25953 6126 1 16 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.432 -0.231 25953 6127 1 16 . 1 1 536 536 GLU C C 536 176.241 176.241 175.869 0.372 25953 6128 1 16 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.672 0.405 25953 6129 1 16 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.674 -0.842 25953 6130 1 16 . 1 1 536 536 GLU H H 536 8.638 8.638 7.946 0.692 25953 6131 1 16 . 1 1 537 537 PHE N N 537 120.390 120.390 118.625 1.765 25953 6132 1 16 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.867 -0.226 25953 6133 1 16 . 1 1 537 537 PHE C C 537 176.005 176.005 174.490 1.515 25953 6134 1 16 . 1 1 537 537 PHE CA C 537 57.804 57.804 56.820 0.984 25953 6135 1 16 . 1 1 537 537 PHE CB C 537 39.450 39.450 40.306 -0.856 25953 6136 1 16 . 1 1 537 537 PHE H H 537 8.266 8.266 7.778 0.488 25953 6137 1 16 . 1 1 538 538 SER N N 538 117.148 117.148 118.894 -1.746 25953 6138 1 16 . 1 1 538 538 SER HA H 538 4.399 4.399 4.577 -0.178 25953 6139 1 16 . 1 1 538 538 SER C C 538 174.167 174.167 173.992 0.175 25953 6140 1 16 . 1 1 538 538 SER CA C 538 58.437 58.437 58.176 0.261 25953 6141 1 16 . 1 1 538 538 SER CB C 538 63.956 63.956 64.147 -0.191 25953 6142 1 16 . 1 1 538 538 SER H H 538 8.194 8.194 8.524 -0.330 25953 6143 1 16 . 1 1 539 539 ASP N N 539 122.404 122.404 122.764 -0.360 25953 6144 1 16 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.763 -0.177 25953 6145 1 16 . 1 1 539 539 ASP C C 539 176.496 176.496 176.101 0.395 25953 6146 1 16 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.262 0.209 25953 6147 1 16 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.425 -0.404 25953 6148 1 16 . 1 1 539 539 ASP H H 539 8.333 8.333 8.460 -0.127 25953 6149 1 16 . 1 1 540 540 ARG N N 540 121.337 121.337 122.871 -1.534 25953 6150 1 16 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.552 -0.189 25953 6151 1 16 . 1 1 540 540 ARG C C 540 176.889 176.889 175.796 1.093 25953 6152 1 16 . 1 1 540 540 ARG CA C 540 56.406 56.406 56.134 0.272 25953 6153 1 16 . 1 1 540 540 ARG CB C 540 30.365 30.365 31.255 -0.889 25953 6154 1 16 . 1 1 540 540 ARG H H 540 8.293 8.293 8.663 -0.370 25953 6155 1 16 . 1 1 541 541 SER N N 541 116.606 116.606 116.898 -0.292 25953 6156 1 16 . 1 1 541 541 SER HA H 541 4.319 4.319 4.669 -0.350 25953 6157 1 16 . 1 1 541 541 SER C C 541 175.060 175.060 174.662 0.398 25953 6158 1 16 . 1 1 541 541 SER CA C 541 59.655 59.655 57.310 2.345 25953 6159 1 16 . 1 1 541 541 SER CB C 541 63.417 63.417 64.595 -1.178 25953 6160 1 16 . 1 1 541 541 SER H H 541 8.369 8.369 8.233 0.136 25953 6161 1 16 . 1 1 542 542 ASN N N 542 120.759 120.759 125.353 -4.594 25953 6162 1 16 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.499 0.201 25953 6163 1 16 . 1 1 542 542 ASN C C 542 175.903 175.903 176.909 -1.006 25953 6164 1 16 . 1 1 542 542 ASN CA C 542 53.788 53.788 55.294 -1.506 25953 6165 1 16 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.660 0.068 25953 6166 1 16 . 1 1 542 542 ASN H H 542 8.451 8.451 8.925 -0.474 25953 6167 1 16 . 1 1 543 543 GLU N N 543 120.886 120.886 120.953 -0.067 25953 6168 1 16 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.128 -0.137 25953 6169 1 16 . 1 1 543 543 GLU C C 543 177.658 177.658 178.205 -0.547 25953 6170 1 16 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.085 -0.296 25953 6171 1 16 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.699 0.055 25953 6172 1 16 . 1 1 543 543 GLU H H 543 8.257 8.257 7.873 0.384 25953 6173 1 16 . 1 1 544 544 LEU N N 544 119.978 119.978 118.616 1.362 25953 6174 1 16 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.305 -0.218 25953 6175 1 16 . 1 1 544 544 LEU C C 544 179.340 179.340 178.476 0.864 25953 6176 1 16 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.380 0.819 25953 6177 1 16 . 1 1 544 544 LEU CB C 544 41.611 41.611 42.261 -0.650 25953 6178 1 16 . 1 1 544 544 LEU H H 544 8.104 8.104 7.457 0.647 25953 6179 1 16 . 1 1 545 545 GLU N N 545 120.432 120.432 121.284 -0.852 25953 6180 1 16 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.045 0.015 25953 6181 1 16 . 1 1 545 545 GLU C C 545 178.371 178.371 179.311 -0.940 25953 6182 1 16 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.669 -1.426 25953 6183 1 16 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.747 -0.182 25953 6184 1 16 . 1 1 545 545 GLU H H 545 7.995 7.995 7.721 0.274 25953 6185 1 16 . 1 1 546 546 ILE N N 546 119.751 119.751 117.938 1.813 25953 6186 1 16 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.797 -0.173 25953 6187 1 16 . 1 1 546 546 ILE C C 546 178.857 178.857 178.313 0.544 25953 6188 1 16 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.831 0.008 25953 6189 1 16 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.194 0.460 25953 6190 1 16 . 1 1 546 546 ILE H H 546 7.828 7.828 7.783 0.045 25953 6191 1 16 . 1 1 547 547 ARG N N 547 120.304 120.304 120.056 0.248 25953 6192 1 16 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.115 0.242 25953 6193 1 16 . 1 1 547 547 ARG C C 547 176.842 176.842 177.973 -1.131 25953 6194 1 16 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.672 -0.797 25953 6195 1 16 . 1 1 547 547 ARG CB C 547 30.460 30.460 29.888 0.572 25953 6196 1 16 . 1 1 547 547 ARG H H 547 8.313 8.313 8.345 -0.032 25953 6197 1 16 . 1 1 548 548 GLY N N 548 104.777 104.777 105.311 -0.534 25953 6198 1 16 . 1 1 548 548 GLY C C 548 175.105 175.105 174.546 0.559 25953 6199 1 16 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.009 0.451 25953 6200 1 16 . 1 1 548 548 GLY H H 548 7.823 7.823 7.663 0.160 25953 6201 1 16 . 1 1 549 549 LYS N N 549 122.134 122.134 122.110 0.024 25953 6202 1 16 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.435 -0.058 25953 6203 1 16 . 1 1 549 549 LYS C C 549 175.156 175.156 175.167 -0.011 25953 6204 1 16 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.383 0.990 25953 6205 1 16 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.360 -1.213 25953 6206 1 16 . 1 1 549 549 LYS H H 549 7.257 7.257 7.405 -0.148 25953 6207 1 16 . 1 1 550 550 TYR N N 550 117.482 117.482 116.485 0.997 25953 6208 1 16 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.664 0.094 25953 6209 1 16 . 1 1 550 550 TYR C C 550 174.650 174.650 174.344 0.306 25953 6210 1 16 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.724 0.306 25953 6211 1 16 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.957 0.270 25953 6212 1 16 . 1 1 550 550 TYR H H 550 8.108 8.108 7.871 0.237 25953 6213 1 16 . 1 1 551 551 VAL N N 551 117.964 117.964 114.210 3.754 25953 6214 1 16 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.523 -0.064 25953 6215 1 16 . 1 1 551 551 VAL C C 551 174.974 174.974 174.470 0.504 25953 6216 1 16 . 1 1 551 551 VAL CA C 551 60.038 60.038 60.815 -0.777 25953 6217 1 16 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.800 0.993 25953 6218 1 16 . 1 1 551 551 VAL H H 551 8.549 8.549 8.423 0.126 25953 6219 1 16 . 1 1 552 552 VAL N N 552 126.679 126.679 125.441 1.238 25953 6220 1 16 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.363 -0.204 25953 6221 1 16 . 1 1 552 552 VAL C C 552 175.545 175.545 175.469 0.076 25953 6222 1 16 . 1 1 552 552 VAL CA C 552 63.152 63.152 63.036 0.116 25953 6223 1 16 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.610 -0.652 25953 6224 1 16 . 1 1 552 552 VAL H H 552 8.642 8.642 8.362 0.280 25953 6225 1 16 . 1 1 553 553 VAL N N 553 129.744 129.744 129.171 0.573 25953 6226 1 16 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.189 -1.730 25953 6227 1 16 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.652 3.516 25953 6228 1 16 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.999 -2.615 25953 6229 1 16 . 1 1 553 553 VAL H H 553 8.341 8.341 8.482 -0.141 25953 6230 1 16 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.690 -0.302 25953 6231 1 16 . 1 1 554 554 PRO C C 554 178.374 178.374 177.630 0.744 25953 6232 1 16 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.599 -0.023 25953 6233 1 16 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.443 0.312 25953 6234 1 16 . 1 1 555 555 GLU N N 555 122.440 122.440 124.981 -2.541 25953 6235 1 16 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.824 0.230 25953 6236 1 16 . 1 1 555 555 GLU C C 555 176.757 176.757 178.139 -1.382 25953 6237 1 16 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.292 -0.791 25953 6238 1 16 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.102 1.312 25953 6239 1 16 . 1 1 555 555 GLU H H 555 8.904 8.904 8.955 -0.051 25953 6240 1 16 . 1 1 556 556 THR N N 556 104.703 104.703 116.414 -11.711 25953 6241 1 16 . 1 1 556 556 THR HA H 556 4.152 4.152 4.088 0.064 25953 6242 1 16 . 1 1 556 556 THR C C 556 175.161 175.161 175.778 -0.617 25953 6243 1 16 . 1 1 556 556 THR CA C 556 61.379 61.379 64.565 -3.186 25953 6244 1 16 . 1 1 556 556 THR CB C 556 68.976 68.976 68.541 0.435 25953 6245 1 16 . 1 1 556 556 THR H H 556 7.160 7.160 8.317 -1.157 25953 6246 1 16 . 1 1 557 557 SER N N 557 116.705 116.705 116.044 0.661 25953 6247 1 16 . 1 1 557 557 SER HA H 557 4.529 4.529 4.251 0.278 25953 6248 1 16 . 1 1 557 557 SER C C 557 175.325 175.325 174.031 1.294 25953 6249 1 16 . 1 1 557 557 SER CA C 557 58.036 58.036 59.460 -1.424 25953 6250 1 16 . 1 1 557 557 SER CB C 557 63.214 63.214 63.804 -0.590 25953 6251 1 16 . 1 1 557 557 SER H H 557 7.405 7.405 7.492 -0.087 25953 6252 1 16 . 1 1 558 558 GLN N N 558 127.356 127.356 119.590 7.766 25953 6253 1 16 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.948 0.221 25953 6254 1 16 . 1 1 558 558 GLN C C 558 176.491 176.491 175.439 1.052 25953 6255 1 16 . 1 1 558 558 GLN CA C 558 57.594 57.594 57.238 0.356 25953 6256 1 16 . 1 1 558 558 GLN CB C 558 28.773 28.773 27.449 1.324 25953 6257 1 16 . 1 1 558 558 GLN H H 558 8.915 8.915 7.459 1.456 25953 6258 1 16 . 1 1 559 559 ASP N N 559 116.840 116.840 118.767 -1.927 25953 6259 1 16 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.148 0.337 25953 6260 1 16 . 1 1 559 559 ASP C C 559 175.554 175.554 176.659 -1.105 25953 6261 1 16 . 1 1 559 559 ASP CA C 559 53.203 53.203 55.520 -2.317 25953 6262 1 16 . 1 1 559 559 ASP CB C 559 40.526 40.526 40.319 0.207 25953 6263 1 16 . 1 1 559 559 ASP H H 559 8.275 8.275 8.918 -0.643 25953 6264 1 16 . 1 1 560 560 MET N N 560 112.866 112.866 113.456 -0.590 25953 6265 1 16 . 1 1 560 560 MET HA H 560 3.899 3.899 3.783 0.116 25953 6266 1 16 . 1 1 560 560 MET C C 560 175.044 175.044 174.461 0.583 25953 6267 1 16 . 1 1 560 560 MET CA C 560 56.400 56.400 56.368 0.032 25953 6268 1 16 . 1 1 560 560 MET CB C 560 30.933 30.933 29.845 1.088 25953 6269 1 16 . 1 1 560 560 MET H H 560 7.935 7.935 7.697 0.238 25953 6270 1 16 . 1 1 561 561 ALA N N 561 122.207 122.207 120.560 1.647 25953 6271 1 16 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.851 0.060 25953 6272 1 16 . 1 1 561 561 ALA C C 561 176.577 176.577 175.908 0.669 25953 6273 1 16 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.454 -0.477 25953 6274 1 16 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.193 1.094 25953 6275 1 16 . 1 1 561 561 ALA H H 561 7.910 7.910 7.626 0.284 25953 6276 1 16 . 1 1 562 562 PHE N N 562 117.027 117.027 123.536 -6.509 25953 6277 1 16 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.775 -0.139 25953 6278 1 16 . 1 1 562 562 PHE C C 562 170.988 170.988 173.055 -2.067 25953 6279 1 16 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.562 -0.332 25953 6280 1 16 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.331 -2.285 25953 6281 1 16 . 1 1 562 562 PHE H H 562 8.075 8.075 8.428 -0.353 25953 6282 1 16 . 1 1 563 563 LYS N N 563 120.420 120.420 125.356 -4.936 25953 6283 1 16 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.518 -0.018 25953 6284 1 16 . 1 1 563 563 LYS C C 563 176.093 176.093 175.639 0.454 25953 6285 1 16 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.694 -0.892 25953 6286 1 16 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.751 0.928 25953 6287 1 16 . 1 1 563 563 LYS H H 563 8.392 8.392 7.060 1.332 25953 6288 1 16 . 1 1 564 564 N N 564 132.535 132.535 10007.900 -9875.370 25953 6289 1 16 . 1 1 564 564 HA H 564 4.639 4.639 9999.080 -9994.440 25953 6290 1 16 . 1 1 564 564 C C 564 175.820 175.820 9998.060 -9822.240 25953 6291 1 16 . 1 1 564 564 CA C 564 57.545 57.545 9996.100 -9938.550 25953 6292 1 16 . 1 1 564 564 CB C 564 30.650 30.650 9998.310 -9967.660 25953 6293 1 16 . 1 1 564 564 H H 564 8.456 8.456 9999.410 -9990.950 25953 6294 1 16 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.364 0.016 25953 6295 1 16 . 1 1 565 565 PRO C C 565 177.300 177.300 176.894 0.406 25953 6296 1 16 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.840 -0.447 25953 6297 1 16 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.694 1.311 25953 6298 1 16 . 1 1 566 566 ILE N N 566 118.529 118.529 119.409 -0.880 25953 6299 1 16 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.969 0.162 25953 6300 1 16 . 1 1 566 566 ILE C C 566 176.361 176.361 177.295 -0.934 25953 6301 1 16 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.750 -0.051 25953 6302 1 16 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.412 0.385 25953 6303 1 16 . 1 1 566 566 ILE H H 566 8.528 8.528 8.082 0.446 25953 6304 1 16 . 1 1 567 567 N N 567 116.646 116.646 9994.230 -9877.580 25953 6305 1 16 . 1 1 567 567 HA H 567 4.932 4.932 9999.440 -9994.510 25953 6306 1 16 . 1 1 567 567 C C 567 176.175 176.175 9998.760 -9822.580 25953 6307 1 16 . 1 1 567 567 CA C 567 58.801 58.801 9997.470 -9938.670 25953 6308 1 16 . 1 1 567 567 CB C 567 31.243 31.243 10000.500 -9969.260 25953 6309 1 16 . 1 1 567 567 H H 567 7.770 7.770 9998.730 -9990.960 25953 6310 1 16 . 1 1 568 568 LYS N N 568 116.867 116.867 118.969 -2.102 25953 6311 1 16 . 1 1 568 568 LYS HA H 568 4.015 4.015 3.952 0.063 25953 6312 1 16 . 1 1 568 568 LYS C C 568 175.290 175.290 175.238 0.052 25953 6313 1 16 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.615 0.259 25953 6314 1 16 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.692 -1.057 25953 6315 1 16 . 1 1 568 568 LYS H H 568 8.038 8.038 8.023 0.015 25953 6316 1 16 . 1 1 569 569 GLU N N 569 120.683 120.683 118.795 1.888 25953 6317 1 16 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.623 -0.151 25953 6318 1 16 . 1 1 569 569 GLU C C 569 175.851 175.851 176.300 -0.449 25953 6319 1 16 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.730 1.471 25953 6320 1 16 . 1 1 569 569 GLU CB C 569 31.343 31.343 33.059 -1.716 25953 6321 1 16 . 1 1 569 569 GLU H H 569 8.380 8.380 7.687 0.693 25953 6322 1 16 . 1 1 570 570 THR N N 570 118.082 118.082 119.539 -1.457 25953 6323 1 16 . 1 1 570 570 THR HA H 570 4.378 4.378 4.711 -0.333 25953 6324 1 16 . 1 1 570 570 THR C C 570 174.070 174.070 174.424 -0.354 25953 6325 1 16 . 1 1 570 570 THR CA C 570 63.174 63.174 63.378 -0.204 25953 6326 1 16 . 1 1 570 570 THR CB C 570 69.853 69.853 69.401 0.452 25953 6327 1 16 . 1 1 570 570 THR H H 570 8.565 8.565 8.543 0.022 25953 6328 1 16 . 1 1 571 571 VAL N N 571 132.533 132.533 127.929 4.604 25953 6329 1 16 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.623 -0.752 25953 6330 1 16 . 1 1 571 571 VAL C C 571 174.198 174.198 174.499 -0.301 25953 6331 1 16 . 1 1 571 571 VAL CA C 571 62.070 62.070 59.726 2.344 25953 6332 1 16 . 1 1 571 571 VAL CB C 571 31.930 31.930 34.055 -2.125 25953 6333 1 16 . 1 1 571 571 VAL H H 571 8.740 8.740 9.075 -0.335 25953 6334 1 16 . 1 1 572 572 THR N N 572 116.229 116.229 121.684 -5.455 25953 6335 1 16 . 1 1 572 572 THR HA H 572 5.243 5.243 5.360 -0.117 25953 6336 1 16 . 1 1 572 572 THR C C 572 175.803 175.803 175.119 0.684 25953 6337 1 16 . 1 1 572 572 THR CA C 572 60.095 60.095 60.126 -0.031 25953 6338 1 16 . 1 1 572 572 THR CB C 572 70.889 70.889 70.873 0.016 25953 6339 1 16 . 1 1 572 572 THR H H 572 8.089 8.089 8.470 -0.381 25953 6340 1 16 . 1 1 573 573 GLY N N 573 110.544 110.544 111.578 -1.034 25953 6341 1 16 . 1 1 573 573 GLY C C 573 172.769 172.769 173.473 -0.704 25953 6342 1 16 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.547 1.887 25953 6343 1 16 . 1 1 573 573 GLY H H 573 8.871 8.871 8.535 0.336 25953 6344 1 16 . 1 1 574 574 VAL N N 574 120.833 120.833 119.055 1.778 25953 6345 1 16 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.620 0.207 25953 6346 1 16 . 1 1 574 574 VAL C C 574 173.472 173.472 174.191 -0.719 25953 6347 1 16 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.665 0.336 25953 6348 1 16 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.962 -0.323 25953 6349 1 16 . 1 1 574 574 VAL H H 574 9.473 9.473 8.622 0.851 25953 6350 1 16 . 1 1 575 575 TYR N N 575 126.796 126.796 125.220 1.576 25953 6351 1 16 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.815 -1.254 25953 6352 1 16 . 1 1 575 575 TYR C C 575 174.622 174.622 175.126 -0.504 25953 6353 1 16 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.386 -0.154 25953 6354 1 16 . 1 1 575 575 TYR CB C 575 37.264 37.264 39.140 -1.876 25953 6355 1 16 . 1 1 575 575 TYR H H 575 8.410 8.410 8.812 -0.402 25953 6356 1 16 . 1 1 576 576 ASP N N 576 130.548 130.548 128.641 1.907 25953 6357 1 16 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.442 -0.012 25953 6358 1 16 . 1 1 576 576 ASP C C 576 174.399 174.399 175.732 -1.333 25953 6359 1 16 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.356 0.153 25953 6360 1 16 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.094 -0.082 25953 6361 1 16 . 1 1 576 576 ASP H H 576 8.228 8.228 8.430 -0.202 25953 6362 1 16 . 1 1 577 577 GLU N N 577 125.178 125.178 125.645 -0.467 25953 6363 1 16 . 1 1 577 577 GLU HA H 577 3.579 3.579 3.834 -0.255 25953 6364 1 16 . 1 1 577 577 GLU C C 577 178.103 178.103 177.151 0.952 25953 6365 1 16 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.620 1.087 25953 6366 1 16 . 1 1 577 577 GLU CB C 577 29.510 29.510 28.910 0.600 25953 6367 1 16 . 1 1 577 577 GLU H H 577 8.480 8.480 8.673 -0.193 25953 6368 1 16 . 1 1 578 578 GLU N N 578 117.933 117.933 119.327 -1.394 25953 6369 1 16 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.221 -0.252 25953 6370 1 16 . 1 1 578 578 GLU C C 578 177.632 177.632 177.884 -0.252 25953 6371 1 16 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.958 1.081 25953 6372 1 16 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.780 -0.394 25953 6373 1 16 . 1 1 578 578 GLU H H 578 8.126 8.126 8.123 0.003 25953 6374 1 16 . 1 1 579 579 SER N N 579 111.483 111.483 113.599 -2.116 25953 6375 1 16 . 1 1 579 579 SER HA H 579 4.343 4.343 4.345 -0.002 25953 6376 1 16 . 1 1 579 579 SER C C 579 176.070 176.070 175.265 0.805 25953 6377 1 16 . 1 1 579 579 SER CA C 579 58.557 58.557 58.731 -0.174 25953 6378 1 16 . 1 1 579 579 SER CB C 579 64.809 64.809 64.212 0.597 25953 6379 1 16 . 1 1 579 579 SER H H 579 7.510 7.510 8.069 -0.559 25953 6380 1 16 . 1 1 580 580 GLY N N 580 113.307 113.307 107.701 5.606 25953 6381 1 16 . 1 1 580 580 GLY C C 580 173.600 173.600 173.673 -0.073 25953 6382 1 16 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.044 1.062 25953 6383 1 16 . 1 1 580 580 GLY H H 580 8.196 8.196 7.733 0.463 25953 6384 1 16 . 1 1 581 581 GLU N N 581 116.623 116.623 117.726 -1.103 25953 6385 1 16 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.469 0.236 25953 6386 1 16 . 1 1 581 581 GLU C C 581 174.750 174.750 174.473 0.277 25953 6387 1 16 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.805 0.064 25953 6388 1 16 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.093 -0.483 25953 6389 1 16 . 1 1 581 581 GLU H H 581 6.994 6.994 7.367 -0.373 25953 6390 1 16 . 1 1 582 582 TRP N N 582 122.364 122.364 118.160 4.204 25953 6391 1 16 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.197 -0.396 25953 6392 1 16 . 1 1 582 582 TRP C C 582 176.750 176.750 176.137 0.613 25953 6393 1 16 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.691 0.342 25953 6394 1 16 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.098 -2.241 25953 6395 1 16 . 1 1 582 582 TRP H H 582 8.841 8.841 8.485 0.356 25953 6396 1 16 . 1 1 583 583 VAL N N 583 115.147 115.147 119.403 -4.256 25953 6397 1 16 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.018 0.098 25953 6398 1 16 . 1 1 583 583 VAL C C 583 175.063 175.063 174.137 0.926 25953 6399 1 16 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.433 -1.035 25953 6400 1 16 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.911 -0.142 25953 6401 1 16 . 1 1 583 583 VAL H H 583 9.440 9.440 9.271 0.169 25953 6402 1 16 . 1 1 584 584 TRP N N 584 123.710 123.710 127.235 -3.525 25953 6403 1 16 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.143 0.107 25953 6404 1 16 . 1 1 584 584 TRP C C 584 176.436 176.436 174.981 1.455 25953 6405 1 16 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.842 -0.440 25953 6406 1 16 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.319 -1.875 25953 6407 1 16 . 1 1 584 584 TRP H H 584 9.295 9.295 9.235 0.060 25953 6408 1 16 . 1 1 585 585 LYS N N 585 122.031 122.031 125.667 -3.636 25953 6409 1 16 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.471 0.092 25953 6410 1 16 . 1 1 585 585 LYS C C 585 178.886 178.886 177.565 1.321 25953 6411 1 16 . 1 1 585 585 LYS CA C 585 56.313 56.313 56.935 -0.622 25953 6412 1 16 . 1 1 585 585 LYS CB C 585 33.433 33.433 33.677 -0.244 25953 6413 1 16 . 1 1 585 585 LYS H H 585 8.689 8.689 8.914 -0.225 25953 6414 1 16 . 1 1 586 586 ASN N N 586 123.634 123.634 120.034 3.600 25953 6415 1 16 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.577 0.326 25953 6416 1 16 . 1 1 586 586 ASN C C 586 176.043 176.043 174.332 1.711 25953 6417 1 16 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.785 -0.083 25953 6418 1 16 . 1 1 586 586 ASN CB C 586 37.052 37.052 36.853 0.199 25953 6419 1 16 . 1 1 586 586 ASN H H 586 8.830 8.830 9.075 -0.245 25953 6420 1 16 . 1 1 587 587 THR N N 587 114.536 114.536 114.777 -0.241 25953 6421 1 16 . 1 1 587 587 THR HA H 587 5.482 5.482 5.049 0.433 25953 6422 1 16 . 1 1 587 587 THR C C 587 171.882 171.882 173.988 -2.106 25953 6423 1 16 . 1 1 587 587 THR CA C 587 63.252 63.252 62.529 0.723 25953 6424 1 16 . 1 1 587 587 THR CB C 587 73.106 73.106 71.057 2.049 25953 6425 1 16 . 1 1 587 587 THR H H 587 8.179 8.179 7.724 0.455 25953 6426 1 16 . 1 1 588 588 ILE N N 588 120.751 120.751 121.334 -0.583 25953 6427 1 16 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.439 -0.008 25953 6428 1 16 . 1 1 588 588 ILE C C 588 171.550 171.550 173.084 -1.534 25953 6429 1 16 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.297 -0.337 25953 6430 1 16 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.686 1.666 25953 6431 1 16 . 1 1 588 588 ILE H H 588 8.984 8.984 9.003 -0.019 25953 6432 1 16 . 1 1 589 589 GLU N N 589 125.535 125.535 128.340 -2.805 25953 6433 1 16 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.801 0.010 25953 6434 1 16 . 1 1 589 589 GLU C C 589 175.587 175.587 174.454 1.133 25953 6435 1 16 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.242 -0.081 25953 6436 1 16 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.380 0.243 25953 6437 1 16 . 1 1 589 589 GLU H H 589 8.337 8.337 8.188 0.149 25953 6438 1 16 . 1 1 590 590 VAL N N 590 126.684 126.684 125.288 1.396 25953 6439 1 16 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.345 -0.358 25953 6440 1 16 . 1 1 590 590 VAL C C 590 176.078 176.078 175.254 0.824 25953 6441 1 16 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.077 0.497 25953 6442 1 16 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.420 -0.592 25953 6443 1 16 . 1 1 590 590 VAL H H 590 9.013 9.013 9.045 -0.032 25953 6444 1 16 . 1 1 591 591 ASN N N 591 127.075 127.075 124.387 2.688 25953 6445 1 16 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.284 0.019 25953 6446 1 16 . 1 1 591 591 ASN C C 591 175.223 175.223 175.797 -0.574 25953 6447 1 16 . 1 1 591 591 ASN CA C 591 54.048 54.048 53.675 0.373 25953 6448 1 16 . 1 1 591 591 ASN CB C 591 37.769 37.769 37.188 0.581 25953 6449 1 16 . 1 1 591 591 ASN H H 591 9.347 9.347 9.130 0.217 25953 6450 1 16 . 1 1 592 592 GLY N N 592 104.628 104.628 102.324 2.304 25953 6451 1 16 . 1 1 592 592 GLY C C 592 172.842 172.842 174.395 -1.553 25953 6452 1 16 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.173 0.108 25953 6453 1 16 . 1 1 592 592 GLY H H 592 8.990 8.990 8.357 0.633 25953 6454 1 16 . 1 1 593 593 LYS N N 593 120.387 120.387 121.464 -1.077 25953 6455 1 16 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.573 -0.386 25953 6456 1 16 . 1 1 593 593 LYS C C 593 173.344 173.344 175.631 -2.287 25953 6457 1 16 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.357 -1.218 25953 6458 1 16 . 1 1 593 593 LYS CB C 593 34.946 34.946 33.994 0.952 25953 6459 1 16 . 1 1 593 593 LYS H H 593 7.485 7.485 7.867 -0.382 25953 6460 1 16 . 1 1 594 594 TYR N N 594 119.730 119.730 120.931 -1.201 25953 6461 1 16 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.915 -0.084 25953 6462 1 16 . 1 1 594 594 TYR C C 594 173.851 173.851 175.860 -2.009 25953 6463 1 16 . 1 1 594 594 TYR CA C 594 56.928 56.928 58.057 -1.129 25953 6464 1 16 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.730 -3.156 25953 6465 1 16 . 1 1 594 594 TYR H H 594 7.092 7.092 8.466 -1.374 25953 6466 1 16 . 1 1 595 595 PHE N N 595 116.435 116.435 116.937 -0.502 25953 6467 1 16 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.798 0.240 25953 6468 1 16 . 1 1 595 595 PHE C C 595 177.013 177.013 174.101 2.912 25953 6469 1 16 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.355 -1.827 25953 6470 1 16 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.322 1.076 25953 6471 1 16 . 1 1 595 595 PHE H H 595 8.459 8.459 9.059 -0.600 25953 6472 1 16 . 1 1 596 596 N N 596 118.187 118.187 10001.400 -9883.210 25953 6473 1 16 . 1 1 596 596 HA H 596 6.064 6.064 9999.550 -9993.490 25953 6474 1 16 . 1 1 596 596 CA C 596 58.668 58.668 9998.490 -9939.820 25953 6475 1 16 . 1 1 596 596 CB C 596 32.486 32.486 10000.700 -9968.210 25953 6476 1 16 . 1 1 596 596 H H 596 9.113 9.113 9999.860 -9990.750 25953 6477 1 16 . 1 1 597 597 SER N N 597 118.403 118.403 121.307 -2.904 25953 6478 1 16 . 1 1 597 597 SER HA H 597 4.798 4.798 4.131 0.667 25953 6479 1 16 . 1 1 597 597 SER C C 597 179.336 179.336 176.417 2.919 25953 6480 1 16 . 1 1 597 597 SER CA C 597 60.633 60.633 62.249 -1.616 25953 6481 1 16 . 1 1 597 597 SER CB C 597 62.965 62.965 63.362 -0.397 25953 6482 1 16 . 1 1 597 597 SER H H 597 8.110 8.110 9.046 -0.936 25953 6483 1 16 . 1 1 598 598 THR N N 598 111.927 111.927 115.034 -3.107 25953 6484 1 16 . 1 1 598 598 THR HA H 598 3.991 3.991 4.307 -0.316 25953 6485 1 16 . 1 1 598 598 THR C C 598 178.244 178.244 175.661 2.583 25953 6486 1 16 . 1 1 598 598 THR CA C 598 64.766 64.766 65.072 -0.306 25953 6487 1 16 . 1 1 598 598 THR CB C 598 67.467 67.467 68.308 -0.841 25953 6488 1 16 . 1 1 598 598 THR H H 598 9.120 9.120 8.274 0.846 25953 6489 1 16 . 1 1 599 599 N N 599 117.596 117.596 10000.000 -9882.400 25953 6490 1 16 . 1 1 599 599 HA H 599 4.055 4.055 9998.980 -9994.930 25953 6491 1 16 . 1 1 599 599 C C 599 177.266 177.266 10000.600 -9823.330 25953 6492 1 16 . 1 1 599 599 CA C 599 63.602 63.602 10002.100 -9938.500 25953 6493 1 16 . 1 1 599 599 CB C 599 30.014 30.014 9998.010 -9968.000 25953 6494 1 16 . 1 1 599 599 H H 599 6.935 6.935 9998.200 -9991.270 25953 6495 1 16 . 1 1 600 600 TYR N N 600 119.532 119.532 120.585 -1.053 25953 6496 1 16 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.975 -0.378 25953 6497 1 16 . 1 1 600 600 TYR C C 600 177.533 177.533 177.204 0.329 25953 6498 1 16 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.752 0.382 25953 6499 1 16 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.300 1.121 25953 6500 1 16 . 1 1 600 600 TYR H H 600 8.396 8.396 8.913 -0.517 25953 6501 1 16 . 1 1 601 601 N N 601 117.457 117.457 9998.150 -9880.690 25953 6502 1 16 . 1 1 601 601 HA H 601 4.126 4.126 9998.620 -9994.490 25953 6503 1 16 . 1 1 601 601 CA C 601 60.119 60.119 10002.000 -9941.880 25953 6504 1 16 . 1 1 601 601 CB C 601 29.903 29.903 9999.330 -9969.430 25953 6505 1 16 . 1 1 601 601 H H 601 8.417 8.417 9998.670 -9990.250 25953 6506 1 16 . 1 1 602 602 GLU N N 602 118.228 118.228 116.134 2.094 25953 6507 1 16 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.103 -0.022 25953 6508 1 16 . 1 1 602 602 GLU C C 602 177.912 177.912 178.071 -0.159 25953 6509 1 16 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.946 0.214 25953 6510 1 16 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.081 -0.348 25953 6511 1 16 . 1 1 602 602 GLU H H 602 8.094 8.094 7.689 0.405 25953 6512 1 16 . 1 1 603 603 THR N N 603 111.252 111.252 113.392 -2.140 25953 6513 1 16 . 1 1 603 603 THR HA H 603 4.265 4.265 4.144 0.121 25953 6514 1 16 . 1 1 603 603 THR C C 603 175.279 175.279 174.691 0.588 25953 6515 1 16 . 1 1 603 603 THR CA C 603 63.116 63.116 62.594 0.522 25953 6516 1 16 . 1 1 603 603 THR CB C 603 69.801 69.801 69.485 0.316 25953 6517 1 16 . 1 1 603 603 THR H H 603 7.578 7.578 7.464 0.114 25953 6518 1 16 . 1 1 604 604 SER N N 604 117.291 117.291 116.044 1.247 25953 6519 1 16 . 1 1 604 604 SER HA H 604 4.221 4.221 3.826 0.395 25953 6520 1 16 . 1 1 604 604 SER C C 604 174.838 174.838 173.515 1.323 25953 6521 1 16 . 1 1 604 604 SER CA C 604 59.105 59.105 58.481 0.624 25953 6522 1 16 . 1 1 604 604 SER CB C 604 63.387 63.387 61.818 1.569 25953 6523 1 16 . 1 1 604 604 SER H H 604 7.849 7.849 7.815 0.034 25953 6524 1 16 . 1 1 605 605 GLN N N 605 120.747 120.747 119.014 1.733 25953 6525 1 16 . 1 1 605 605 GLN C C 605 175.801 175.801 176.082 -0.281 25953 6526 1 16 . 1 1 605 605 GLN CA C 605 56.080 56.080 56.389 -0.309 25953 6527 1 16 . 1 1 605 605 GLN CB C 605 28.926 28.926 29.670 -0.744 25953 6528 1 16 . 1 1 605 605 GLN H H 605 7.971 7.971 7.508 0.463 25953 6529 1 17 . 1 1 535 535 SER HA H 535 4.465 4.465 4.513 -0.048 25953 6530 1 17 . 1 1 535 535 SER C C 535 174.718 174.718 173.636 1.082 25953 6531 1 17 . 1 1 535 535 SER CA C 535 58.323 58.323 57.595 0.728 25953 6532 1 17 . 1 1 535 535 SER CB C 535 63.845 63.845 64.968 -1.123 25953 6533 1 17 . 1 1 536 536 GLU N N 536 122.899 122.899 120.694 2.205 25953 6534 1 17 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.043 0.158 25953 6535 1 17 . 1 1 536 536 GLU C C 536 176.241 176.241 175.959 0.282 25953 6536 1 17 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.060 1.017 25953 6537 1 17 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.011 -0.178 25953 6538 1 17 . 1 1 536 536 GLU H H 536 8.638 8.638 8.227 0.411 25953 6539 1 17 . 1 1 537 537 PHE N N 537 120.390 120.390 120.580 -0.190 25953 6540 1 17 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.356 0.285 25953 6541 1 17 . 1 1 537 537 PHE C C 537 176.005 176.005 176.386 -0.381 25953 6542 1 17 . 1 1 537 537 PHE CA C 537 57.804 57.804 58.111 -0.307 25953 6543 1 17 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.520 -0.070 25953 6544 1 17 . 1 1 537 537 PHE H H 537 8.266 8.266 7.685 0.581 25953 6545 1 17 . 1 1 538 538 SER N N 538 117.148 117.148 115.729 1.419 25953 6546 1 17 . 1 1 538 538 SER HA H 538 4.399 4.399 4.262 0.137 25953 6547 1 17 . 1 1 538 538 SER C C 538 174.167 174.167 173.757 0.410 25953 6548 1 17 . 1 1 538 538 SER CA C 538 58.437 58.437 58.844 -0.408 25953 6549 1 17 . 1 1 538 538 SER CB C 538 63.956 63.956 61.845 2.111 25953 6550 1 17 . 1 1 538 538 SER H H 538 8.194 8.194 8.792 -0.598 25953 6551 1 17 . 1 1 539 539 ASP N N 539 122.404 122.404 119.252 3.152 25953 6552 1 17 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.610 -0.024 25953 6553 1 17 . 1 1 539 539 ASP C C 539 176.496 176.496 176.507 -0.011 25953 6554 1 17 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.422 0.049 25953 6555 1 17 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.559 -0.539 25953 6556 1 17 . 1 1 539 539 ASP H H 539 8.333 8.333 8.527 -0.194 25953 6557 1 17 . 1 1 540 540 ARG N N 540 121.337 121.337 121.229 0.108 25953 6558 1 17 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.492 -0.129 25953 6559 1 17 . 1 1 540 540 ARG C C 540 176.889 176.889 176.054 0.835 25953 6560 1 17 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.884 0.522 25953 6561 1 17 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.112 0.253 25953 6562 1 17 . 1 1 540 540 ARG H H 540 8.293 8.293 8.276 0.017 25953 6563 1 17 . 1 1 541 541 SER N N 541 116.606 116.606 116.083 0.523 25953 6564 1 17 . 1 1 541 541 SER HA H 541 4.319 4.319 4.413 -0.094 25953 6565 1 17 . 1 1 541 541 SER C C 541 175.060 175.060 173.910 1.150 25953 6566 1 17 . 1 1 541 541 SER CA C 541 59.655 59.655 57.630 2.025 25953 6567 1 17 . 1 1 541 541 SER CB C 541 63.417 63.417 63.876 -0.459 25953 6568 1 17 . 1 1 541 541 SER H H 541 8.369 8.369 8.004 0.365 25953 6569 1 17 . 1 1 542 542 ASN N N 542 120.759 120.759 120.282 0.477 25953 6570 1 17 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.807 -0.107 25953 6571 1 17 . 1 1 542 542 ASN C C 542 175.903 175.903 174.337 1.566 25953 6572 1 17 . 1 1 542 542 ASN CA C 542 53.788 53.788 53.093 0.695 25953 6573 1 17 . 1 1 542 542 ASN CB C 542 38.728 38.728 40.757 -2.029 25953 6574 1 17 . 1 1 542 542 ASN H H 542 8.451 8.451 7.995 0.456 25953 6575 1 17 . 1 1 543 543 GLU N N 543 120.886 120.886 121.225 -0.339 25953 6576 1 17 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.429 -0.438 25953 6577 1 17 . 1 1 543 543 GLU C C 543 177.658 177.658 177.253 0.405 25953 6578 1 17 . 1 1 543 543 GLU CA C 543 58.789 58.789 56.680 2.109 25953 6579 1 17 . 1 1 543 543 GLU CB C 543 29.754 29.754 30.216 -0.462 25953 6580 1 17 . 1 1 543 543 GLU H H 543 8.257 8.257 8.421 -0.164 25953 6581 1 17 . 1 1 544 544 LEU N N 544 119.978 119.978 121.947 -1.969 25953 6582 1 17 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.198 -0.111 25953 6583 1 17 . 1 1 544 544 LEU C C 544 179.340 179.340 178.780 0.560 25953 6584 1 17 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.956 0.242 25953 6585 1 17 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.755 -0.144 25953 6586 1 17 . 1 1 544 544 LEU H H 544 8.104 8.104 8.153 -0.049 25953 6587 1 17 . 1 1 545 545 GLU N N 545 120.432 120.432 119.550 0.882 25953 6588 1 17 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.138 -0.078 25953 6589 1 17 . 1 1 545 545 GLU C C 545 178.371 178.371 178.173 0.198 25953 6590 1 17 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.026 -0.783 25953 6591 1 17 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.228 0.337 25953 6592 1 17 . 1 1 545 545 GLU H H 545 7.995 7.995 8.693 -0.698 25953 6593 1 17 . 1 1 546 546 ILE N N 546 119.751 119.751 118.527 1.224 25953 6594 1 17 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.860 -0.236 25953 6595 1 17 . 1 1 546 546 ILE C C 546 178.857 178.857 178.021 0.836 25953 6596 1 17 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.914 -0.075 25953 6597 1 17 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.896 -0.242 25953 6598 1 17 . 1 1 546 546 ILE H H 546 7.828 7.828 7.328 0.500 25953 6599 1 17 . 1 1 547 547 ARG N N 547 120.304 120.304 119.907 0.397 25953 6600 1 17 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.229 0.128 25953 6601 1 17 . 1 1 547 547 ARG C C 547 176.842 176.842 178.677 -1.835 25953 6602 1 17 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.940 -1.065 25953 6603 1 17 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.062 0.398 25953 6604 1 17 . 1 1 547 547 ARG H H 547 8.313 8.313 7.486 0.827 25953 6605 1 17 . 1 1 548 548 GLY N N 548 104.777 104.777 105.932 -1.155 25953 6606 1 17 . 1 1 548 548 GLY C C 548 175.105 175.105 174.717 0.388 25953 6607 1 17 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.058 0.402 25953 6608 1 17 . 1 1 548 548 GLY H H 548 7.823 7.823 7.832 -0.009 25953 6609 1 17 . 1 1 549 549 LYS N N 549 122.134 122.134 121.404 0.730 25953 6610 1 17 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.544 -0.167 25953 6611 1 17 . 1 1 549 549 LYS C C 549 175.156 175.156 175.368 -0.212 25953 6612 1 17 . 1 1 549 549 LYS CA C 549 57.373 57.373 55.992 1.381 25953 6613 1 17 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.721 -0.575 25953 6614 1 17 . 1 1 549 549 LYS H H 549 7.257 7.257 7.499 -0.242 25953 6615 1 17 . 1 1 550 550 TYR N N 550 117.482 117.482 116.074 1.408 25953 6616 1 17 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.708 0.050 25953 6617 1 17 . 1 1 550 550 TYR C C 550 174.650 174.650 174.203 0.447 25953 6618 1 17 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.991 0.039 25953 6619 1 17 . 1 1 550 550 TYR CB C 550 42.227 42.227 42.248 -0.021 25953 6620 1 17 . 1 1 550 550 TYR H H 550 8.108 8.108 8.064 0.044 25953 6621 1 17 . 1 1 551 551 VAL N N 551 117.964 117.964 113.983 3.981 25953 6622 1 17 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.499 -0.040 25953 6623 1 17 . 1 1 551 551 VAL C C 551 174.974 174.974 174.630 0.344 25953 6624 1 17 . 1 1 551 551 VAL CA C 551 60.038 60.038 60.936 -0.898 25953 6625 1 17 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.911 0.882 25953 6626 1 17 . 1 1 551 551 VAL H H 551 8.549 8.549 8.860 -0.311 25953 6627 1 17 . 1 1 552 552 VAL N N 552 126.679 126.679 125.843 0.836 25953 6628 1 17 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.357 -0.198 25953 6629 1 17 . 1 1 552 552 VAL C C 552 175.545 175.545 175.037 0.508 25953 6630 1 17 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.727 0.425 25953 6631 1 17 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.359 -0.401 25953 6632 1 17 . 1 1 552 552 VAL H H 552 8.642 8.642 8.508 0.134 25953 6633 1 17 . 1 1 553 553 VAL N N 553 129.744 129.744 129.175 0.569 25953 6634 1 17 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.112 -1.653 25953 6635 1 17 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.252 2.916 25953 6636 1 17 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.199 -1.815 25953 6637 1 17 . 1 1 553 553 VAL H H 553 8.341 8.341 8.333 0.008 25953 6638 1 17 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.630 -0.242 25953 6639 1 17 . 1 1 554 554 PRO C C 554 178.374 178.374 177.447 0.927 25953 6640 1 17 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.186 0.390 25953 6641 1 17 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.642 0.113 25953 6642 1 17 . 1 1 555 555 GLU N N 555 122.440 122.440 122.422 0.018 25953 6643 1 17 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.833 0.221 25953 6644 1 17 . 1 1 555 555 GLU C C 555 176.757 176.757 177.856 -1.099 25953 6645 1 17 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.427 -0.926 25953 6646 1 17 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.752 0.661 25953 6647 1 17 . 1 1 555 555 GLU H H 555 8.904 8.904 8.821 0.083 25953 6648 1 17 . 1 1 556 556 THR N N 556 104.703 104.703 111.381 -6.678 25953 6649 1 17 . 1 1 556 556 THR HA H 556 4.152 4.152 4.190 -0.038 25953 6650 1 17 . 1 1 556 556 THR C C 556 175.161 175.161 175.955 -0.794 25953 6651 1 17 . 1 1 556 556 THR CA C 556 61.379 61.379 63.503 -2.124 25953 6652 1 17 . 1 1 556 556 THR CB C 556 68.976 68.976 68.561 0.415 25953 6653 1 17 . 1 1 556 556 THR H H 556 7.160 7.160 8.085 -0.925 25953 6654 1 17 . 1 1 557 557 SER N N 557 116.705 116.705 116.291 0.414 25953 6655 1 17 . 1 1 557 557 SER HA H 557 4.529 4.529 4.100 0.429 25953 6656 1 17 . 1 1 557 557 SER C C 557 175.325 175.325 175.209 0.116 25953 6657 1 17 . 1 1 557 557 SER CA C 557 58.036 58.036 60.245 -2.209 25953 6658 1 17 . 1 1 557 557 SER CB C 557 63.214 63.214 63.452 -0.237 25953 6659 1 17 . 1 1 557 557 SER H H 557 7.405 7.405 7.486 -0.080 25953 6660 1 17 . 1 1 558 558 GLN N N 558 127.356 127.356 118.269 9.087 25953 6661 1 17 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.915 0.254 25953 6662 1 17 . 1 1 558 558 GLN C C 558 176.491 176.491 176.098 0.393 25953 6663 1 17 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.567 -0.973 25953 6664 1 17 . 1 1 558 558 GLN CB C 558 28.773 28.773 26.994 1.779 25953 6665 1 17 . 1 1 558 558 GLN H H 558 8.915 8.915 7.838 1.077 25953 6666 1 17 . 1 1 559 559 ASP N N 559 116.840 116.840 118.266 -1.426 25953 6667 1 17 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.821 -0.336 25953 6668 1 17 . 1 1 559 559 ASP C C 559 175.554 175.554 175.395 0.159 25953 6669 1 17 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.292 -0.090 25953 6670 1 17 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.572 -1.046 25953 6671 1 17 . 1 1 559 559 ASP H H 559 8.275 8.275 8.031 0.244 25953 6672 1 17 . 1 1 560 560 MET N N 560 112.866 112.866 115.423 -2.557 25953 6673 1 17 . 1 1 560 560 MET HA H 560 3.899 3.899 3.484 0.415 25953 6674 1 17 . 1 1 560 560 MET C C 560 175.044 175.044 174.124 0.920 25953 6675 1 17 . 1 1 560 560 MET CA C 560 56.400 56.400 56.003 0.397 25953 6676 1 17 . 1 1 560 560 MET CB C 560 30.933 30.933 29.677 1.256 25953 6677 1 17 . 1 1 560 560 MET H H 560 7.935 7.935 7.446 0.489 25953 6678 1 17 . 1 1 561 561 ALA N N 561 122.207 122.207 119.607 2.600 25953 6679 1 17 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.610 0.301 25953 6680 1 17 . 1 1 561 561 ALA C C 561 176.577 176.577 175.705 0.872 25953 6681 1 17 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.671 -0.694 25953 6682 1 17 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.524 0.763 25953 6683 1 17 . 1 1 561 561 ALA H H 561 7.910 7.910 7.517 0.393 25953 6684 1 17 . 1 1 562 562 PHE N N 562 117.027 117.027 120.056 -3.029 25953 6685 1 17 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.816 -0.180 25953 6686 1 17 . 1 1 562 562 PHE C C 562 170.988 170.988 173.972 -2.984 25953 6687 1 17 . 1 1 562 562 PHE CA C 562 56.230 56.230 54.792 1.438 25953 6688 1 17 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.520 -2.474 25953 6689 1 17 . 1 1 562 562 PHE H H 562 8.075 8.075 8.115 -0.040 25953 6690 1 17 . 1 1 563 563 LYS N N 563 120.420 120.420 122.101 -1.681 25953 6691 1 17 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.751 -0.251 25953 6692 1 17 . 1 1 563 563 LYS C C 563 176.093 176.093 175.756 0.337 25953 6693 1 17 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.765 -1.963 25953 6694 1 17 . 1 1 563 563 LYS CB C 563 33.679 33.679 33.458 0.221 25953 6695 1 17 . 1 1 563 563 LYS H H 563 8.392 8.392 8.337 0.055 25953 6696 1 17 . 1 1 564 564 N N 564 132.535 132.535 10007.100 -9874.560 25953 6697 1 17 . 1 1 564 564 HA H 564 4.639 4.639 9999.340 -9994.700 25953 6698 1 17 . 1 1 564 564 C C 564 175.820 175.820 9997.470 -9821.650 25953 6699 1 17 . 1 1 564 564 CA C 564 57.545 57.545 9995.440 -9937.900 25953 6700 1 17 . 1 1 564 564 CB C 564 30.650 30.650 9998.100 -9967.450 25953 6701 1 17 . 1 1 564 564 H H 564 8.456 8.456 9999.340 -9990.880 25953 6702 1 17 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.315 0.065 25953 6703 1 17 . 1 1 565 565 PRO C C 565 177.300 177.300 177.909 -0.609 25953 6704 1 17 . 1 1 565 565 PRO CA C 565 64.393 64.393 65.107 -0.714 25953 6705 1 17 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.999 1.006 25953 6706 1 17 . 1 1 566 566 ILE N N 566 118.529 118.529 115.935 2.594 25953 6707 1 17 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.905 0.226 25953 6708 1 17 . 1 1 566 566 ILE C C 566 176.361 176.361 177.033 -0.672 25953 6709 1 17 . 1 1 566 566 ILE CA C 566 63.699 63.699 64.071 -0.372 25953 6710 1 17 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.291 0.506 25953 6711 1 17 . 1 1 566 566 ILE H H 566 8.528 8.528 8.024 0.504 25953 6712 1 17 . 1 1 567 567 N N 567 116.646 116.646 9993.600 -9876.950 25953 6713 1 17 . 1 1 567 567 HA H 567 4.932 4.932 9999.280 -9994.350 25953 6714 1 17 . 1 1 567 567 C C 567 176.175 176.175 9998.970 -9822.790 25953 6715 1 17 . 1 1 567 567 CA C 567 58.801 58.801 9997.720 -9938.920 25953 6716 1 17 . 1 1 567 567 CB C 567 31.243 31.243 10000.200 -9968.960 25953 6717 1 17 . 1 1 567 567 H H 567 7.770 7.770 9998.600 -9990.830 25953 6718 1 17 . 1 1 568 568 LYS N N 568 116.867 116.867 119.233 -2.366 25953 6719 1 17 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.030 -0.015 25953 6720 1 17 . 1 1 568 568 LYS C C 568 175.290 175.290 175.511 -0.221 25953 6721 1 17 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.726 0.148 25953 6722 1 17 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.657 -1.022 25953 6723 1 17 . 1 1 568 568 LYS H H 568 8.038 8.038 8.119 -0.081 25953 6724 1 17 . 1 1 569 569 GLU N N 569 120.683 120.683 117.889 2.794 25953 6725 1 17 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.740 -0.268 25953 6726 1 17 . 1 1 569 569 GLU C C 569 175.851 175.851 175.862 -0.011 25953 6727 1 17 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.602 1.599 25953 6728 1 17 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.401 -1.058 25953 6729 1 17 . 1 1 569 569 GLU H H 569 8.380 8.380 7.824 0.556 25953 6730 1 17 . 1 1 570 570 THR N N 570 118.082 118.082 116.434 1.648 25953 6731 1 17 . 1 1 570 570 THR HA H 570 4.378 4.378 5.016 -0.638 25953 6732 1 17 . 1 1 570 570 THR C C 570 174.070 174.070 174.781 -0.711 25953 6733 1 17 . 1 1 570 570 THR CA C 570 63.174 63.174 61.749 1.425 25953 6734 1 17 . 1 1 570 570 THR CB C 570 69.853 69.853 69.752 0.101 25953 6735 1 17 . 1 1 570 570 THR H H 570 8.565 8.565 8.536 0.029 25953 6736 1 17 . 1 1 571 571 VAL N N 571 132.533 132.533 128.622 3.911 25953 6737 1 17 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.439 -0.568 25953 6738 1 17 . 1 1 571 571 VAL C C 571 174.198 174.198 174.410 -0.212 25953 6739 1 17 . 1 1 571 571 VAL CA C 571 62.070 62.070 61.279 0.791 25953 6740 1 17 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.846 -1.916 25953 6741 1 17 . 1 1 571 571 VAL H H 571 8.740 8.740 8.810 -0.070 25953 6742 1 17 . 1 1 572 572 THR N N 572 116.229 116.229 118.678 -2.449 25953 6743 1 17 . 1 1 572 572 THR HA H 572 5.243 5.243 5.277 -0.034 25953 6744 1 17 . 1 1 572 572 THR C C 572 175.803 175.803 174.509 1.294 25953 6745 1 17 . 1 1 572 572 THR CA C 572 60.095 60.095 59.943 0.152 25953 6746 1 17 . 1 1 572 572 THR CB C 572 70.889 70.889 72.362 -1.473 25953 6747 1 17 . 1 1 572 572 THR H H 572 8.089 8.089 8.215 -0.126 25953 6748 1 17 . 1 1 573 573 GLY N N 573 110.544 110.544 111.382 -0.838 25953 6749 1 17 . 1 1 573 573 GLY C C 573 172.769 172.769 174.396 -1.627 25953 6750 1 17 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.898 1.536 25953 6751 1 17 . 1 1 573 573 GLY H H 573 8.871 8.871 8.341 0.530 25953 6752 1 17 . 1 1 574 574 VAL N N 574 120.833 120.833 118.931 1.902 25953 6753 1 17 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.844 -0.017 25953 6754 1 17 . 1 1 574 574 VAL C C 574 173.472 173.472 174.045 -0.573 25953 6755 1 17 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.880 0.121 25953 6756 1 17 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.404 0.235 25953 6757 1 17 . 1 1 574 574 VAL H H 574 9.473 9.473 8.858 0.615 25953 6758 1 17 . 1 1 575 575 TYR N N 575 126.796 126.796 124.589 2.207 25953 6759 1 17 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.336 -0.775 25953 6760 1 17 . 1 1 575 575 TYR C C 575 174.622 174.622 175.086 -0.464 25953 6761 1 17 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.051 0.181 25953 6762 1 17 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.961 -1.697 25953 6763 1 17 . 1 1 575 575 TYR H H 575 8.410 8.410 8.634 -0.224 25953 6764 1 17 . 1 1 576 576 ASP N N 576 130.548 130.548 126.958 3.590 25953 6765 1 17 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.458 -0.028 25953 6766 1 17 . 1 1 576 576 ASP C C 576 174.399 174.399 175.412 -1.013 25953 6767 1 17 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.428 0.081 25953 6768 1 17 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.483 -0.471 25953 6769 1 17 . 1 1 576 576 ASP H H 576 8.228 8.228 8.272 -0.044 25953 6770 1 17 . 1 1 577 577 GLU N N 577 125.178 125.178 124.425 0.753 25953 6771 1 17 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.183 -0.604 25953 6772 1 17 . 1 1 577 577 GLU C C 577 178.103 178.103 177.187 0.916 25953 6773 1 17 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.155 1.552 25953 6774 1 17 . 1 1 577 577 GLU CB C 577 29.510 29.510 28.987 0.523 25953 6775 1 17 . 1 1 577 577 GLU H H 577 8.480 8.480 8.594 -0.114 25953 6776 1 17 . 1 1 578 578 GLU N N 578 117.933 117.933 120.469 -2.536 25953 6777 1 17 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.267 -0.298 25953 6778 1 17 . 1 1 578 578 GLU C C 578 177.632 177.632 177.945 -0.313 25953 6779 1 17 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.003 1.036 25953 6780 1 17 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.912 -0.526 25953 6781 1 17 . 1 1 578 578 GLU H H 578 8.126 8.126 8.232 -0.106 25953 6782 1 17 . 1 1 579 579 SER N N 579 111.483 111.483 113.685 -2.202 25953 6783 1 17 . 1 1 579 579 SER HA H 579 4.343 4.343 4.547 -0.204 25953 6784 1 17 . 1 1 579 579 SER C C 579 176.070 176.070 174.412 1.658 25953 6785 1 17 . 1 1 579 579 SER CA C 579 58.557 58.557 58.444 0.113 25953 6786 1 17 . 1 1 579 579 SER CB C 579 64.809 64.809 64.299 0.510 25953 6787 1 17 . 1 1 579 579 SER H H 579 7.510 7.510 8.491 -0.981 25953 6788 1 17 . 1 1 580 580 GLY N N 580 113.307 113.307 107.772 5.535 25953 6789 1 17 . 1 1 580 580 GLY C C 580 173.600 173.600 173.417 0.183 25953 6790 1 17 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.172 0.934 25953 6791 1 17 . 1 1 580 580 GLY H H 580 8.196 8.196 7.906 0.290 25953 6792 1 17 . 1 1 581 581 GLU N N 581 116.623 116.623 118.125 -1.502 25953 6793 1 17 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.793 -0.088 25953 6794 1 17 . 1 1 581 581 GLU C C 581 174.750 174.750 174.432 0.318 25953 6795 1 17 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.605 0.264 25953 6796 1 17 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.149 -0.539 25953 6797 1 17 . 1 1 581 581 GLU H H 581 6.994 6.994 7.840 -0.846 25953 6798 1 17 . 1 1 582 582 TRP N N 582 122.364 122.364 118.880 3.484 25953 6799 1 17 . 1 1 582 582 TRP HA H 582 4.801 4.801 4.928 -0.127 25953 6800 1 17 . 1 1 582 582 TRP C C 582 176.750 176.750 176.459 0.291 25953 6801 1 17 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.690 -0.657 25953 6802 1 17 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.938 -2.081 25953 6803 1 17 . 1 1 582 582 TRP H H 582 8.841 8.841 8.716 0.125 25953 6804 1 17 . 1 1 583 583 VAL N N 583 115.147 115.147 119.581 -4.434 25953 6805 1 17 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.975 0.141 25953 6806 1 17 . 1 1 583 583 VAL C C 583 175.063 175.063 174.162 0.901 25953 6807 1 17 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.952 -1.554 25953 6808 1 17 . 1 1 583 583 VAL CB C 583 36.769 36.769 37.089 -0.320 25953 6809 1 17 . 1 1 583 583 VAL H H 583 9.440 9.440 9.459 -0.019 25953 6810 1 17 . 1 1 584 584 TRP N N 584 123.710 123.710 125.745 -2.035 25953 6811 1 17 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.065 0.185 25953 6812 1 17 . 1 1 584 584 TRP C C 584 176.436 176.436 174.955 1.481 25953 6813 1 17 . 1 1 584 584 TRP CA C 584 54.401 54.401 55.015 -0.614 25953 6814 1 17 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.688 -2.245 25953 6815 1 17 . 1 1 584 584 TRP H H 584 9.295 9.295 9.347 -0.052 25953 6816 1 17 . 1 1 585 585 LYS N N 585 122.031 122.031 122.109 -0.078 25953 6817 1 17 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.927 -0.364 25953 6818 1 17 . 1 1 585 585 LYS C C 585 178.886 178.886 176.218 2.668 25953 6819 1 17 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.161 2.152 25953 6820 1 17 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.567 -1.134 25953 6821 1 17 . 1 1 585 585 LYS H H 585 8.689 8.689 8.402 0.287 25953 6822 1 17 . 1 1 586 586 ASN N N 586 123.634 123.634 119.965 3.669 25953 6823 1 17 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.488 0.415 25953 6824 1 17 . 1 1 586 586 ASN C C 586 176.043 176.043 173.988 2.055 25953 6825 1 17 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.185 0.517 25953 6826 1 17 . 1 1 586 586 ASN CB C 586 37.052 37.052 38.271 -1.219 25953 6827 1 17 . 1 1 586 586 ASN H H 586 8.830 8.830 8.924 -0.094 25953 6828 1 17 . 1 1 587 587 THR N N 587 114.536 114.536 114.850 -0.314 25953 6829 1 17 . 1 1 587 587 THR HA H 587 5.482 5.482 5.252 0.230 25953 6830 1 17 . 1 1 587 587 THR C C 587 171.882 171.882 173.400 -1.518 25953 6831 1 17 . 1 1 587 587 THR CA C 587 63.252 63.252 62.095 1.157 25953 6832 1 17 . 1 1 587 587 THR CB C 587 73.106 73.106 72.337 0.769 25953 6833 1 17 . 1 1 587 587 THR H H 587 8.179 8.179 7.934 0.245 25953 6834 1 17 . 1 1 588 588 ILE N N 588 120.751 120.751 121.473 -0.722 25953 6835 1 17 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.520 -0.089 25953 6836 1 17 . 1 1 588 588 ILE C C 588 171.550 171.550 172.884 -1.334 25953 6837 1 17 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.711 -0.751 25953 6838 1 17 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.886 1.466 25953 6839 1 17 . 1 1 588 588 ILE H H 588 8.984 8.984 9.076 -0.092 25953 6840 1 17 . 1 1 589 589 GLU N N 589 125.535 125.535 128.251 -2.716 25953 6841 1 17 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.634 0.177 25953 6842 1 17 . 1 1 589 589 GLU C C 589 175.587 175.587 174.482 1.105 25953 6843 1 17 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.342 -0.181 25953 6844 1 17 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.694 -0.071 25953 6845 1 17 . 1 1 589 589 GLU H H 589 8.337 8.337 8.233 0.104 25953 6846 1 17 . 1 1 590 590 VAL N N 590 126.684 126.684 126.215 0.469 25953 6847 1 17 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.329 -0.342 25953 6848 1 17 . 1 1 590 590 VAL C C 590 176.078 176.078 175.753 0.325 25953 6849 1 17 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.921 0.653 25953 6850 1 17 . 1 1 590 590 VAL CB C 590 33.828 33.828 33.637 0.191 25953 6851 1 17 . 1 1 590 590 VAL H H 590 9.013 9.013 9.070 -0.057 25953 6852 1 17 . 1 1 591 591 ASN N N 591 127.075 127.075 126.194 0.881 25953 6853 1 17 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.343 -0.040 25953 6854 1 17 . 1 1 591 591 ASN C C 591 175.223 175.223 175.646 -0.423 25953 6855 1 17 . 1 1 591 591 ASN CA C 591 54.048 54.048 55.363 -1.315 25953 6856 1 17 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.286 -0.517 25953 6857 1 17 . 1 1 591 591 ASN H H 591 9.347 9.347 9.266 0.081 25953 6858 1 17 . 1 1 592 592 GLY N N 592 104.628 104.628 106.329 -1.701 25953 6859 1 17 . 1 1 592 592 GLY C C 592 172.842 172.842 173.196 -0.354 25953 6860 1 17 . 1 1 592 592 GLY CA C 592 45.281 45.281 44.901 0.380 25953 6861 1 17 . 1 1 592 592 GLY H H 592 8.990 8.990 8.249 0.741 25953 6862 1 17 . 1 1 593 593 LYS N N 593 120.387 120.387 121.934 -1.547 25953 6863 1 17 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.718 -0.530 25953 6864 1 17 . 1 1 593 593 LYS C C 593 173.344 173.344 175.192 -1.848 25953 6865 1 17 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.331 -1.192 25953 6866 1 17 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.760 0.186 25953 6867 1 17 . 1 1 593 593 LYS H H 593 7.485 7.485 7.997 -0.512 25953 6868 1 17 . 1 1 594 594 TYR N N 594 119.730 119.730 119.785 -0.055 25953 6869 1 17 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.984 -0.153 25953 6870 1 17 . 1 1 594 594 TYR C C 594 173.851 173.851 175.624 -1.773 25953 6871 1 17 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.616 -0.688 25953 6872 1 17 . 1 1 594 594 TYR CB C 594 37.574 37.574 41.329 -3.755 25953 6873 1 17 . 1 1 594 594 TYR H H 594 7.092 7.092 8.396 -1.304 25953 6874 1 17 . 1 1 595 595 PHE N N 595 116.435 116.435 116.671 -0.236 25953 6875 1 17 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.722 0.316 25953 6876 1 17 . 1 1 595 595 PHE C C 595 177.013 177.013 174.094 2.919 25953 6877 1 17 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.178 -1.650 25953 6878 1 17 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.189 1.209 25953 6879 1 17 . 1 1 595 595 PHE H H 595 8.459 8.459 9.074 -0.615 25953 6880 1 17 . 1 1 596 596 N N 596 118.187 118.187 10000.500 -9882.310 25953 6881 1 17 . 1 1 596 596 HA H 596 6.064 6.064 9999.650 -9993.590 25953 6882 1 17 . 1 1 596 596 CA C 596 58.668 58.668 9998.450 -9939.780 25953 6883 1 17 . 1 1 596 596 CB C 596 32.486 32.486 10000.900 -9968.410 25953 6884 1 17 . 1 1 596 596 H H 596 9.113 9.113 9999.780 -9990.670 25953 6885 1 17 . 1 1 597 597 SER N N 597 118.403 118.403 121.303 -2.900 25953 6886 1 17 . 1 1 597 597 SER HA H 597 4.798 4.798 4.297 0.501 25953 6887 1 17 . 1 1 597 597 SER C C 597 179.336 179.336 176.584 2.752 25953 6888 1 17 . 1 1 597 597 SER CA C 597 60.633 60.633 62.148 -1.515 25953 6889 1 17 . 1 1 597 597 SER CB C 597 62.965 62.965 63.476 -0.511 25953 6890 1 17 . 1 1 597 597 SER H H 597 8.110 8.110 8.862 -0.752 25953 6891 1 17 . 1 1 598 598 THR N N 598 111.927 111.927 116.069 -4.142 25953 6892 1 17 . 1 1 598 598 THR HA H 598 3.991 3.991 4.136 -0.145 25953 6893 1 17 . 1 1 598 598 THR C C 598 178.244 178.244 175.789 2.455 25953 6894 1 17 . 1 1 598 598 THR CA C 598 64.766 64.766 65.017 -0.251 25953 6895 1 17 . 1 1 598 598 THR CB C 598 67.467 67.467 68.343 -0.876 25953 6896 1 17 . 1 1 598 598 THR H H 598 9.120 9.120 8.617 0.503 25953 6897 1 17 . 1 1 599 599 N N 599 117.596 117.596 9999.820 -9882.220 25953 6898 1 17 . 1 1 599 599 HA H 599 4.055 4.055 9999.120 -9995.070 25953 6899 1 17 . 1 1 599 599 C C 599 177.266 177.266 10001.100 -9823.830 25953 6900 1 17 . 1 1 599 599 CA C 599 63.602 63.602 10002.200 -9938.600 25953 6901 1 17 . 1 1 599 599 CB C 599 30.014 30.014 9998.240 -9968.230 25953 6902 1 17 . 1 1 599 599 H H 599 6.935 6.935 9998.650 -9991.720 25953 6903 1 17 . 1 1 600 600 TYR N N 600 119.532 119.532 120.944 -1.412 25953 6904 1 17 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.004 -0.407 25953 6905 1 17 . 1 1 600 600 TYR C C 600 177.533 177.533 176.908 0.625 25953 6906 1 17 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.298 0.835 25953 6907 1 17 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.142 1.279 25953 6908 1 17 . 1 1 600 600 TYR H H 600 8.396 8.396 8.948 -0.552 25953 6909 1 17 . 1 1 601 601 N N 601 117.457 117.457 9998.580 -9881.120 25953 6910 1 17 . 1 1 601 601 HA H 601 4.126 4.126 9998.580 -9994.450 25953 6911 1 17 . 1 1 601 601 CA C 601 60.119 60.119 10003.000 -9942.880 25953 6912 1 17 . 1 1 601 601 CB C 601 29.903 29.903 9999.100 -9969.200 25953 6913 1 17 . 1 1 601 601 H H 601 8.417 8.417 9998.680 -9990.260 25953 6914 1 17 . 1 1 602 602 GLU N N 602 118.228 118.228 116.438 1.790 25953 6915 1 17 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.159 -0.078 25953 6916 1 17 . 1 1 602 602 GLU C C 602 177.912 177.912 177.775 0.137 25953 6917 1 17 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.240 -0.080 25953 6918 1 17 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.540 0.193 25953 6919 1 17 . 1 1 602 602 GLU H H 602 8.094 8.094 7.802 0.292 25953 6920 1 17 . 1 1 603 603 THR N N 603 111.252 111.252 113.497 -2.245 25953 6921 1 17 . 1 1 603 603 THR HA H 603 4.265 4.265 4.109 0.156 25953 6922 1 17 . 1 1 603 603 THR C C 603 175.279 175.279 174.571 0.708 25953 6923 1 17 . 1 1 603 603 THR CA C 603 63.116 63.116 62.695 0.421 25953 6924 1 17 . 1 1 603 603 THR CB C 603 69.801 69.801 68.703 1.098 25953 6925 1 17 . 1 1 603 603 THR H H 603 7.578 7.578 7.123 0.455 25953 6926 1 17 . 1 1 604 604 SER N N 604 117.291 117.291 118.004 -0.713 25953 6927 1 17 . 1 1 604 604 SER HA H 604 4.221 4.221 3.485 0.736 25953 6928 1 17 . 1 1 604 604 SER C C 604 174.838 174.838 173.973 0.865 25953 6929 1 17 . 1 1 604 604 SER CA C 604 59.105 59.105 58.343 0.762 25953 6930 1 17 . 1 1 604 604 SER CB C 604 63.387 63.387 63.363 0.024 25953 6931 1 17 . 1 1 604 604 SER H H 604 7.849 7.849 7.561 0.288 25953 6932 1 17 . 1 1 605 605 GLN N N 605 120.747 120.747 128.790 -8.043 25953 6933 1 17 . 1 1 605 605 GLN C C 605 175.801 175.801 176.031 -0.230 25953 6934 1 17 . 1 1 605 605 GLN CA C 605 56.080 56.080 56.958 -0.878 25953 6935 1 17 . 1 1 605 605 GLN CB C 605 28.926 28.926 29.123 -0.197 25953 6936 1 17 . 1 1 605 605 GLN H H 605 7.971 7.971 8.455 -0.484 25953 6937 1 18 . 1 1 535 535 SER HA H 535 4.465 4.465 5.101 -0.636 25953 6938 1 18 . 1 1 535 535 SER C C 535 174.718 174.718 173.039 1.679 25953 6939 1 18 . 1 1 535 535 SER CA C 535 58.323 58.323 57.451 0.872 25953 6940 1 18 . 1 1 535 535 SER CB C 535 63.845 63.845 66.115 -2.270 25953 6941 1 18 . 1 1 536 536 GLU N N 536 122.899 122.899 120.602 2.297 25953 6942 1 18 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.489 -0.288 25953 6943 1 18 . 1 1 536 536 GLU C C 536 176.241 176.241 174.779 1.462 25953 6944 1 18 . 1 1 536 536 GLU CA C 536 57.077 57.077 55.327 1.750 25953 6945 1 18 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.792 -0.960 25953 6946 1 18 . 1 1 536 536 GLU H H 536 8.638 8.638 8.544 0.094 25953 6947 1 18 . 1 1 537 537 PHE N N 537 120.390 120.390 122.767 -2.377 25953 6948 1 18 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.844 -0.203 25953 6949 1 18 . 1 1 537 537 PHE C C 537 176.005 176.005 175.850 0.155 25953 6950 1 18 . 1 1 537 537 PHE CA C 537 57.804 57.804 58.633 -0.829 25953 6951 1 18 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.941 -0.491 25953 6952 1 18 . 1 1 537 537 PHE H H 537 8.266 8.266 8.273 -0.007 25953 6953 1 18 . 1 1 538 538 SER N N 538 117.148 117.148 116.263 0.885 25953 6954 1 18 . 1 1 538 538 SER HA H 538 4.399 4.399 4.591 -0.192 25953 6955 1 18 . 1 1 538 538 SER C C 538 174.167 174.167 172.946 1.221 25953 6956 1 18 . 1 1 538 538 SER CA C 538 58.437 58.437 57.620 0.817 25953 6957 1 18 . 1 1 538 538 SER CB C 538 63.956 63.956 64.400 -0.444 25953 6958 1 18 . 1 1 538 538 SER H H 538 8.194 8.194 8.314 -0.120 25953 6959 1 18 . 1 1 539 539 ASP N N 539 122.404 122.404 124.646 -2.242 25953 6960 1 18 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.962 -0.376 25953 6961 1 18 . 1 1 539 539 ASP C C 539 176.496 176.496 175.980 0.516 25953 6962 1 18 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.359 0.112 25953 6963 1 18 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.487 -0.466 25953 6964 1 18 . 1 1 539 539 ASP H H 539 8.333 8.333 8.538 -0.205 25953 6965 1 18 . 1 1 540 540 ARG N N 540 121.337 121.337 122.059 -0.722 25953 6966 1 18 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.569 -0.206 25953 6967 1 18 . 1 1 540 540 ARG C C 540 176.889 176.889 175.369 1.520 25953 6968 1 18 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.153 1.254 25953 6969 1 18 . 1 1 540 540 ARG CB C 540 30.365 30.365 32.526 -2.161 25953 6970 1 18 . 1 1 540 540 ARG H H 540 8.293 8.293 8.327 -0.034 25953 6971 1 18 . 1 1 541 541 SER N N 541 116.606 116.606 116.498 0.108 25953 6972 1 18 . 1 1 541 541 SER HA H 541 4.319 4.319 4.512 -0.193 25953 6973 1 18 . 1 1 541 541 SER C C 541 175.060 175.060 175.897 -0.837 25953 6974 1 18 . 1 1 541 541 SER CA C 541 59.655 59.655 58.249 1.406 25953 6975 1 18 . 1 1 541 541 SER CB C 541 63.417 63.417 63.978 -0.561 25953 6976 1 18 . 1 1 541 541 SER H H 541 8.369 8.369 8.480 -0.111 25953 6977 1 18 . 1 1 542 542 ASN N N 542 120.759 120.759 126.108 -5.349 25953 6978 1 18 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.572 0.128 25953 6979 1 18 . 1 1 542 542 ASN C C 542 175.903 175.903 176.763 -0.860 25953 6980 1 18 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.268 -0.480 25953 6981 1 18 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.610 0.118 25953 6982 1 18 . 1 1 542 542 ASN H H 542 8.451 8.451 8.907 -0.456 25953 6983 1 18 . 1 1 543 543 GLU N N 543 120.886 120.886 121.920 -1.034 25953 6984 1 18 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.061 -0.070 25953 6985 1 18 . 1 1 543 543 GLU C C 543 177.658 177.658 178.045 -0.387 25953 6986 1 18 . 1 1 543 543 GLU CA C 543 58.789 58.789 59.137 -0.348 25953 6987 1 18 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.645 0.109 25953 6988 1 18 . 1 1 543 543 GLU H H 543 8.257 8.257 7.822 0.435 25953 6989 1 18 . 1 1 544 544 LEU N N 544 119.978 119.978 117.756 2.222 25953 6990 1 18 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.093 -0.006 25953 6991 1 18 . 1 1 544 544 LEU C C 544 179.340 179.340 178.804 0.536 25953 6992 1 18 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.005 0.193 25953 6993 1 18 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.847 -0.236 25953 6994 1 18 . 1 1 544 544 LEU H H 544 8.104 8.104 7.594 0.510 25953 6995 1 18 . 1 1 545 545 GLU N N 545 120.432 120.432 118.807 1.625 25953 6996 1 18 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.218 -0.158 25953 6997 1 18 . 1 1 545 545 GLU C C 545 178.371 178.371 179.376 -1.005 25953 6998 1 18 . 1 1 545 545 GLU CA C 545 58.243 58.243 58.365 -0.122 25953 6999 1 18 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.761 -0.196 25953 7000 1 18 . 1 1 545 545 GLU H H 545 7.995 7.995 7.595 0.400 25953 7001 1 18 . 1 1 546 546 ILE N N 546 119.751 119.751 120.323 -0.572 25953 7002 1 18 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.755 -0.131 25953 7003 1 18 . 1 1 546 546 ILE C C 546 178.857 178.857 178.270 0.587 25953 7004 1 18 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.935 -0.096 25953 7005 1 18 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.765 0.889 25953 7006 1 18 . 1 1 546 546 ILE H H 546 7.828 7.828 7.906 -0.078 25953 7007 1 18 . 1 1 547 547 ARG N N 547 120.304 120.304 118.101 2.203 25953 7008 1 18 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.402 -0.045 25953 7009 1 18 . 1 1 547 547 ARG C C 547 176.842 176.842 177.713 -0.871 25953 7010 1 18 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.170 -0.296 25953 7011 1 18 . 1 1 547 547 ARG CB C 547 30.460 30.460 29.889 0.571 25953 7012 1 18 . 1 1 547 547 ARG H H 547 8.313 8.313 7.645 0.668 25953 7013 1 18 . 1 1 548 548 GLY N N 548 104.777 104.777 105.318 -0.541 25953 7014 1 18 . 1 1 548 548 GLY C C 548 175.105 175.105 175.096 0.009 25953 7015 1 18 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.021 0.439 25953 7016 1 18 . 1 1 548 548 GLY H H 548 7.823 7.823 7.623 0.200 25953 7017 1 18 . 1 1 549 549 LYS N N 549 122.134 122.134 121.974 0.160 25953 7018 1 18 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.488 -0.111 25953 7019 1 18 . 1 1 549 549 LYS C C 549 175.156 175.156 175.422 -0.266 25953 7020 1 18 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.484 0.889 25953 7021 1 18 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.863 -0.716 25953 7022 1 18 . 1 1 549 549 LYS H H 549 7.257 7.257 7.574 -0.317 25953 7023 1 18 . 1 1 550 550 TYR N N 550 117.482 117.482 117.540 -0.058 25953 7024 1 18 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.759 -0.001 25953 7025 1 18 . 1 1 550 550 TYR C C 550 174.650 174.650 174.183 0.467 25953 7026 1 18 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.785 0.244 25953 7027 1 18 . 1 1 550 550 TYR CB C 550 42.227 42.227 42.194 0.033 25953 7028 1 18 . 1 1 550 550 TYR H H 550 8.108 8.108 8.018 0.090 25953 7029 1 18 . 1 1 551 551 VAL N N 551 117.964 117.964 114.381 3.583 25953 7030 1 18 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.456 0.003 25953 7031 1 18 . 1 1 551 551 VAL C C 551 174.974 174.974 174.203 0.771 25953 7032 1 18 . 1 1 551 551 VAL CA C 551 60.038 60.038 60.822 -0.784 25953 7033 1 18 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.537 1.256 25953 7034 1 18 . 1 1 551 551 VAL H H 551 8.549 8.549 8.612 -0.063 25953 7035 1 18 . 1 1 552 552 VAL N N 552 126.679 126.679 124.265 2.414 25953 7036 1 18 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.539 -0.380 25953 7037 1 18 . 1 1 552 552 VAL C C 552 175.545 175.545 174.546 0.999 25953 7038 1 18 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.436 0.716 25953 7039 1 18 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.670 -0.712 25953 7040 1 18 . 1 1 552 552 VAL H H 552 8.642 8.642 8.587 0.055 25953 7041 1 18 . 1 1 553 553 VAL N N 553 129.744 129.744 126.762 2.982 25953 7042 1 18 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.308 -1.849 25953 7043 1 18 . 1 1 553 553 VAL CA C 553 61.168 61.168 57.908 3.260 25953 7044 1 18 . 1 1 553 553 VAL CB C 553 31.384 31.384 34.115 -2.731 25953 7045 1 18 . 1 1 553 553 VAL H H 553 8.341 8.341 8.551 -0.210 25953 7046 1 18 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.584 -0.196 25953 7047 1 18 . 1 1 554 554 PRO C C 554 178.374 178.374 176.702 1.672 25953 7048 1 18 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.466 0.110 25953 7049 1 18 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.577 0.178 25953 7050 1 18 . 1 1 555 555 GLU N N 555 122.440 122.440 122.177 0.263 25953 7051 1 18 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.674 0.380 25953 7052 1 18 . 1 1 555 555 GLU C C 555 176.757 176.757 177.624 -0.867 25953 7053 1 18 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.595 -0.094 25953 7054 1 18 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.403 1.010 25953 7055 1 18 . 1 1 555 555 GLU H H 555 8.904 8.904 8.776 0.128 25953 7056 1 18 . 1 1 556 556 THR N N 556 104.703 104.703 113.596 -8.893 25953 7057 1 18 . 1 1 556 556 THR HA H 556 4.152 4.152 4.025 0.127 25953 7058 1 18 . 1 1 556 556 THR C C 556 175.161 175.161 175.230 -0.069 25953 7059 1 18 . 1 1 556 556 THR CA C 556 61.379 61.379 64.660 -3.281 25953 7060 1 18 . 1 1 556 556 THR CB C 556 68.976 68.976 68.533 0.443 25953 7061 1 18 . 1 1 556 556 THR H H 556 7.160 7.160 7.943 -0.783 25953 7062 1 18 . 1 1 557 557 SER N N 557 116.705 116.705 117.284 -0.579 25953 7063 1 18 . 1 1 557 557 SER HA H 557 4.529 4.529 4.317 0.212 25953 7064 1 18 . 1 1 557 557 SER C C 557 175.325 175.325 175.461 -0.136 25953 7065 1 18 . 1 1 557 557 SER CA C 557 58.036 58.036 57.718 0.318 25953 7066 1 18 . 1 1 557 557 SER CB C 557 63.214 63.214 62.340 0.874 25953 7067 1 18 . 1 1 557 557 SER H H 557 7.405 7.405 7.517 -0.112 25953 7068 1 18 . 1 1 558 558 GLN N N 558 127.356 127.356 127.144 0.212 25953 7069 1 18 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.000 0.169 25953 7070 1 18 . 1 1 558 558 GLN C C 558 176.491 176.491 176.664 -0.173 25953 7071 1 18 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.269 -0.675 25953 7072 1 18 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.813 -0.040 25953 7073 1 18 . 1 1 558 558 GLN H H 558 8.915 8.915 8.478 0.437 25953 7074 1 18 . 1 1 559 559 ASP N N 559 116.840 116.840 116.680 0.160 25953 7075 1 18 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.773 -0.288 25953 7076 1 18 . 1 1 559 559 ASP C C 559 175.554 175.554 175.562 -0.008 25953 7077 1 18 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.653 -0.450 25953 7078 1 18 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.238 -0.712 25953 7079 1 18 . 1 1 559 559 ASP H H 559 8.275 8.275 8.472 -0.197 25953 7080 1 18 . 1 1 560 560 MET N N 560 112.866 112.866 116.057 -3.191 25953 7081 1 18 . 1 1 560 560 MET HA H 560 3.899 3.899 3.687 0.212 25953 7082 1 18 . 1 1 560 560 MET C C 560 175.044 175.044 174.278 0.766 25953 7083 1 18 . 1 1 560 560 MET CA C 560 56.400 56.400 56.071 0.329 25953 7084 1 18 . 1 1 560 560 MET CB C 560 30.933 30.933 29.914 1.019 25953 7085 1 18 . 1 1 560 560 MET H H 560 7.935 7.935 7.579 0.356 25953 7086 1 18 . 1 1 561 561 ALA N N 561 122.207 122.207 120.162 2.045 25953 7087 1 18 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.811 0.100 25953 7088 1 18 . 1 1 561 561 ALA C C 561 176.577 176.577 175.928 0.649 25953 7089 1 18 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.257 -0.280 25953 7090 1 18 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.362 0.925 25953 7091 1 18 . 1 1 561 561 ALA H H 561 7.910 7.910 7.647 0.263 25953 7092 1 18 . 1 1 562 562 PHE N N 562 117.027 117.027 122.836 -5.809 25953 7093 1 18 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.657 -0.020 25953 7094 1 18 . 1 1 562 562 PHE C C 562 170.988 170.988 173.429 -2.441 25953 7095 1 18 . 1 1 562 562 PHE CA C 562 56.230 56.230 57.282 -1.052 25953 7096 1 18 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.672 -2.626 25953 7097 1 18 . 1 1 562 562 PHE H H 562 8.075 8.075 8.506 -0.431 25953 7098 1 18 . 1 1 563 563 LYS N N 563 120.420 120.420 128.566 -8.146 25953 7099 1 18 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.291 0.209 25953 7100 1 18 . 1 1 563 563 LYS C C 563 176.093 176.093 175.714 0.379 25953 7101 1 18 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.282 -1.480 25953 7102 1 18 . 1 1 563 563 LYS CB C 563 33.679 33.679 31.874 1.805 25953 7103 1 18 . 1 1 563 563 LYS H H 563 8.392 8.392 7.585 0.807 25953 7104 1 18 . 1 1 564 564 N N 564 132.535 132.535 10008.500 -9875.960 25953 7105 1 18 . 1 1 564 564 HA H 564 4.639 4.639 9998.920 -9994.280 25953 7106 1 18 . 1 1 564 564 C C 564 175.820 175.820 9998.250 -9822.430 25953 7107 1 18 . 1 1 564 564 CA C 564 57.545 57.545 9997.040 -9939.500 25953 7108 1 18 . 1 1 564 564 CB C 564 30.650 30.650 9997.710 -9967.060 25953 7109 1 18 . 1 1 564 564 H H 564 8.456 8.456 9999.290 -9990.830 25953 7110 1 18 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.306 0.074 25953 7111 1 18 . 1 1 565 565 PRO C C 565 177.300 177.300 176.918 0.382 25953 7112 1 18 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.708 -0.315 25953 7113 1 18 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.849 1.156 25953 7114 1 18 . 1 1 566 566 ILE N N 566 118.529 118.529 118.105 0.424 25953 7115 1 18 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.988 0.143 25953 7116 1 18 . 1 1 566 566 ILE C C 566 176.361 176.361 177.494 -1.133 25953 7117 1 18 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.745 -0.046 25953 7118 1 18 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.436 0.361 25953 7119 1 18 . 1 1 566 566 ILE H H 566 8.528 8.528 8.195 0.333 25953 7120 1 18 . 1 1 567 567 N N 567 116.646 116.646 9994.320 -9877.670 25953 7121 1 18 . 1 1 567 567 HA H 567 4.932 4.932 9999.410 -9994.480 25953 7122 1 18 . 1 1 567 567 C C 567 176.175 176.175 9999.100 -9822.920 25953 7123 1 18 . 1 1 567 567 CA C 567 58.801 58.801 9997.130 -9938.330 25953 7124 1 18 . 1 1 567 567 CB C 567 31.243 31.243 10000.600 -9969.360 25953 7125 1 18 . 1 1 567 567 H H 567 7.770 7.770 9998.640 -9990.870 25953 7126 1 18 . 1 1 568 568 LYS N N 568 116.867 116.867 119.728 -2.861 25953 7127 1 18 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.027 -0.012 25953 7128 1 18 . 1 1 568 568 LYS C C 568 175.290 175.290 175.145 0.145 25953 7129 1 18 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.541 0.333 25953 7130 1 18 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.881 -1.246 25953 7131 1 18 . 1 1 568 568 LYS H H 568 8.038 8.038 8.249 -0.211 25953 7132 1 18 . 1 1 569 569 GLU N N 569 120.683 120.683 117.590 3.093 25953 7133 1 18 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.662 -0.190 25953 7134 1 18 . 1 1 569 569 GLU C C 569 175.851 175.851 175.900 -0.049 25953 7135 1 18 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.504 1.697 25953 7136 1 18 . 1 1 569 569 GLU CB C 569 31.343 31.343 33.220 -1.877 25953 7137 1 18 . 1 1 569 569 GLU H H 569 8.380 8.380 7.685 0.695 25953 7138 1 18 . 1 1 570 570 THR N N 570 118.082 118.082 119.838 -1.756 25953 7139 1 18 . 1 1 570 570 THR HA H 570 4.378 4.378 4.649 -0.271 25953 7140 1 18 . 1 1 570 570 THR C C 570 174.070 174.070 174.309 -0.239 25953 7141 1 18 . 1 1 570 570 THR CA C 570 63.174 63.174 62.939 0.235 25953 7142 1 18 . 1 1 570 570 THR CB C 570 69.853 69.853 69.470 0.383 25953 7143 1 18 . 1 1 570 570 THR H H 570 8.565 8.565 8.613 -0.048 25953 7144 1 18 . 1 1 571 571 VAL N N 571 132.533 132.533 129.695 2.838 25953 7145 1 18 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.501 -0.630 25953 7146 1 18 . 1 1 571 571 VAL C C 571 174.198 174.198 174.655 -0.457 25953 7147 1 18 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.635 1.435 25953 7148 1 18 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.448 -1.518 25953 7149 1 18 . 1 1 571 571 VAL H H 571 8.740 8.740 8.932 -0.192 25953 7150 1 18 . 1 1 572 572 THR N N 572 116.229 116.229 121.920 -5.691 25953 7151 1 18 . 1 1 572 572 THR HA H 572 5.243 5.243 5.131 0.112 25953 7152 1 18 . 1 1 572 572 THR C C 572 175.803 175.803 175.305 0.498 25953 7153 1 18 . 1 1 572 572 THR CA C 572 60.095 60.095 60.295 -0.200 25953 7154 1 18 . 1 1 572 572 THR CB C 572 70.889 70.889 70.745 0.144 25953 7155 1 18 . 1 1 572 572 THR H H 572 8.089 8.089 8.221 -0.132 25953 7156 1 18 . 1 1 573 573 GLY N N 573 110.544 110.544 110.780 -0.236 25953 7157 1 18 . 1 1 573 573 GLY C C 573 172.769 172.769 173.786 -1.017 25953 7158 1 18 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.313 2.121 25953 7159 1 18 . 1 1 573 573 GLY H H 573 8.871 8.871 8.472 0.399 25953 7160 1 18 . 1 1 574 574 VAL N N 574 120.833 120.833 118.482 2.351 25953 7161 1 18 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.609 0.218 25953 7162 1 18 . 1 1 574 574 VAL C C 574 173.472 173.472 173.996 -0.524 25953 7163 1 18 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.944 0.057 25953 7164 1 18 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.599 0.041 25953 7165 1 18 . 1 1 574 574 VAL H H 574 9.473 9.473 8.795 0.678 25953 7166 1 18 . 1 1 575 575 TYR N N 575 126.796 126.796 126.293 0.503 25953 7167 1 18 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.651 -1.090 25953 7168 1 18 . 1 1 575 575 TYR C C 575 174.622 174.622 174.808 -0.186 25953 7169 1 18 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.413 -0.180 25953 7170 1 18 . 1 1 575 575 TYR CB C 575 37.264 37.264 39.142 -1.877 25953 7171 1 18 . 1 1 575 575 TYR H H 575 8.410 8.410 8.911 -0.501 25953 7172 1 18 . 1 1 576 576 ASP N N 576 130.548 130.548 128.518 2.030 25953 7173 1 18 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.470 -0.040 25953 7174 1 18 . 1 1 576 576 ASP C C 576 174.399 174.399 175.817 -1.418 25953 7175 1 18 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.560 -0.051 25953 7176 1 18 . 1 1 576 576 ASP CB C 576 42.012 42.012 41.925 0.087 25953 7177 1 18 . 1 1 576 576 ASP H H 576 8.228 8.228 8.425 -0.197 25953 7178 1 18 . 1 1 577 577 GLU N N 577 125.178 125.178 125.962 -0.784 25953 7179 1 18 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.051 -0.472 25953 7180 1 18 . 1 1 577 577 GLU C C 577 178.103 178.103 177.212 0.891 25953 7181 1 18 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.868 0.839 25953 7182 1 18 . 1 1 577 577 GLU CB C 577 29.510 29.510 28.966 0.544 25953 7183 1 18 . 1 1 577 577 GLU H H 577 8.480 8.480 8.559 -0.079 25953 7184 1 18 . 1 1 578 578 GLU N N 578 117.933 117.933 120.504 -2.571 25953 7185 1 18 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.151 -0.182 25953 7186 1 18 . 1 1 578 578 GLU C C 578 177.632 177.632 178.140 -0.508 25953 7187 1 18 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.949 1.090 25953 7188 1 18 . 1 1 578 578 GLU CB C 578 29.386 29.386 30.047 -0.661 25953 7189 1 18 . 1 1 578 578 GLU H H 578 8.126 8.126 8.284 -0.158 25953 7190 1 18 . 1 1 579 579 SER N N 579 111.483 111.483 113.422 -1.939 25953 7191 1 18 . 1 1 579 579 SER HA H 579 4.343 4.343 4.387 -0.044 25953 7192 1 18 . 1 1 579 579 SER C C 579 176.070 176.070 175.548 0.522 25953 7193 1 18 . 1 1 579 579 SER CA C 579 58.557 58.557 58.826 -0.269 25953 7194 1 18 . 1 1 579 579 SER CB C 579 64.809 64.809 65.490 -0.681 25953 7195 1 18 . 1 1 579 579 SER H H 579 7.510 7.510 8.279 -0.769 25953 7196 1 18 . 1 1 580 580 GLY N N 580 113.307 113.307 112.134 1.173 25953 7197 1 18 . 1 1 580 580 GLY C C 580 173.600 173.600 172.915 0.685 25953 7198 1 18 . 1 1 580 580 GLY CA C 580 46.106 46.106 44.792 1.314 25953 7199 1 18 . 1 1 580 580 GLY H H 580 8.196 8.196 7.929 0.267 25953 7200 1 18 . 1 1 581 581 GLU N N 581 116.623 116.623 115.930 0.693 25953 7201 1 18 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.550 0.155 25953 7202 1 18 . 1 1 581 581 GLU C C 581 174.750 174.750 174.940 -0.190 25953 7203 1 18 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.385 0.484 25953 7204 1 18 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.492 0.118 25953 7205 1 18 . 1 1 581 581 GLU H H 581 6.994 6.994 7.299 -0.305 25953 7206 1 18 . 1 1 582 582 TRP N N 582 122.364 122.364 119.557 2.807 25953 7207 1 18 . 1 1 582 582 TRP HA H 582 4.801 4.801 4.769 0.032 25953 7208 1 18 . 1 1 582 582 TRP C C 582 176.750 176.750 175.961 0.789 25953 7209 1 18 . 1 1 582 582 TRP CA C 582 57.033 57.033 58.228 -1.195 25953 7210 1 18 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.218 -1.361 25953 7211 1 18 . 1 1 582 582 TRP H H 582 8.841 8.841 8.831 0.010 25953 7212 1 18 . 1 1 583 583 VAL N N 583 115.147 115.147 120.455 -5.308 25953 7213 1 18 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.996 0.120 25953 7214 1 18 . 1 1 583 583 VAL C C 583 175.063 175.063 174.191 0.872 25953 7215 1 18 . 1 1 583 583 VAL CA C 583 59.398 59.398 61.009 -1.611 25953 7216 1 18 . 1 1 583 583 VAL CB C 583 36.769 36.769 37.053 -0.284 25953 7217 1 18 . 1 1 583 583 VAL H H 583 9.440 9.440 9.289 0.151 25953 7218 1 18 . 1 1 584 584 TRP N N 584 123.710 123.710 126.441 -2.731 25953 7219 1 18 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.190 0.060 25953 7220 1 18 . 1 1 584 584 TRP C C 584 176.436 176.436 174.685 1.751 25953 7221 1 18 . 1 1 584 584 TRP CA C 584 54.401 54.401 55.143 -0.742 25953 7222 1 18 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.974 -2.531 25953 7223 1 18 . 1 1 584 584 TRP H H 584 9.295 9.295 9.268 0.027 25953 7224 1 18 . 1 1 585 585 LYS N N 585 122.031 122.031 122.355 -0.324 25953 7225 1 18 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.784 -0.221 25953 7226 1 18 . 1 1 585 585 LYS C C 585 178.886 178.886 176.215 2.671 25953 7227 1 18 . 1 1 585 585 LYS CA C 585 56.313 56.313 54.743 1.570 25953 7228 1 18 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.142 -0.709 25953 7229 1 18 . 1 1 585 585 LYS H H 585 8.689 8.689 8.454 0.235 25953 7230 1 18 . 1 1 586 586 ASN N N 586 123.634 123.634 120.119 3.515 25953 7231 1 18 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.463 0.440 25953 7232 1 18 . 1 1 586 586 ASN C C 586 176.043 176.043 174.135 1.908 25953 7233 1 18 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.466 0.236 25953 7234 1 18 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.798 -0.747 25953 7235 1 18 . 1 1 586 586 ASN H H 586 8.830 8.830 8.990 -0.160 25953 7236 1 18 . 1 1 587 587 THR N N 587 114.536 114.536 114.021 0.515 25953 7237 1 18 . 1 1 587 587 THR HA H 587 5.482 5.482 5.190 0.292 25953 7238 1 18 . 1 1 587 587 THR C C 587 171.882 171.882 173.557 -1.675 25953 7239 1 18 . 1 1 587 587 THR CA C 587 63.252 63.252 61.870 1.382 25953 7240 1 18 . 1 1 587 587 THR CB C 587 73.106 73.106 71.866 1.240 25953 7241 1 18 . 1 1 587 587 THR H H 587 8.179 8.179 7.998 0.181 25953 7242 1 18 . 1 1 588 588 ILE N N 588 120.751 120.751 121.221 -0.470 25953 7243 1 18 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.418 0.013 25953 7244 1 18 . 1 1 588 588 ILE C C 588 171.550 171.550 172.879 -1.329 25953 7245 1 18 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.730 -0.770 25953 7246 1 18 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.751 1.601 25953 7247 1 18 . 1 1 588 588 ILE H H 588 8.984 8.984 9.060 -0.076 25953 7248 1 18 . 1 1 589 589 GLU N N 589 125.535 125.535 127.853 -2.318 25953 7249 1 18 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.670 0.141 25953 7250 1 18 . 1 1 589 589 GLU C C 589 175.587 175.587 174.330 1.257 25953 7251 1 18 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.041 0.120 25953 7252 1 18 . 1 1 589 589 GLU CB C 589 31.623 31.623 30.849 0.774 25953 7253 1 18 . 1 1 589 589 GLU H H 589 8.337 8.337 8.163 0.174 25953 7254 1 18 . 1 1 590 590 VAL N N 590 126.684 126.684 126.079 0.605 25953 7255 1 18 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.304 -0.317 25953 7256 1 18 . 1 1 590 590 VAL C C 590 176.078 176.078 175.726 0.352 25953 7257 1 18 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.136 0.438 25953 7258 1 18 . 1 1 590 590 VAL CB C 590 33.828 33.828 35.288 -1.460 25953 7259 1 18 . 1 1 590 590 VAL H H 590 9.013 9.013 8.736 0.277 25953 7260 1 18 . 1 1 591 591 ASN N N 591 127.075 127.075 123.831 3.244 25953 7261 1 18 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.462 -0.159 25953 7262 1 18 . 1 1 591 591 ASN C C 591 175.223 175.223 175.167 0.056 25953 7263 1 18 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.099 -0.051 25953 7264 1 18 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.310 -0.541 25953 7265 1 18 . 1 1 591 591 ASN H H 591 9.347 9.347 9.207 0.140 25953 7266 1 18 . 1 1 592 592 GLY N N 592 104.628 104.628 104.204 0.424 25953 7267 1 18 . 1 1 592 592 GLY C C 592 172.842 172.842 173.319 -0.477 25953 7268 1 18 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.313 -0.033 25953 7269 1 18 . 1 1 592 592 GLY H H 592 8.990 8.990 8.333 0.657 25953 7270 1 18 . 1 1 593 593 LYS N N 593 120.387 120.387 119.646 0.741 25953 7271 1 18 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.617 -0.430 25953 7272 1 18 . 1 1 593 593 LYS C C 593 173.344 173.344 174.569 -1.225 25953 7273 1 18 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.361 -0.222 25953 7274 1 18 . 1 1 593 593 LYS CB C 593 34.946 34.946 35.666 -0.720 25953 7275 1 18 . 1 1 593 593 LYS H H 593 7.485 7.485 7.873 -0.388 25953 7276 1 18 . 1 1 594 594 TYR N N 594 119.730 119.730 118.683 1.047 25953 7277 1 18 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.677 0.154 25953 7278 1 18 . 1 1 594 594 TYR C C 594 173.851 173.851 175.333 -1.482 25953 7279 1 18 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.573 -0.645 25953 7280 1 18 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.077 -2.503 25953 7281 1 18 . 1 1 594 594 TYR H H 594 7.092 7.092 7.661 -0.569 25953 7282 1 18 . 1 1 595 595 PHE N N 595 116.435 116.435 116.764 -0.329 25953 7283 1 18 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.765 0.273 25953 7284 1 18 . 1 1 595 595 PHE C C 595 177.013 177.013 174.123 2.890 25953 7285 1 18 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.199 -1.671 25953 7286 1 18 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.122 1.276 25953 7287 1 18 . 1 1 595 595 PHE H H 595 8.459 8.459 8.967 -0.508 25953 7288 1 18 . 1 1 596 596 N N 596 118.187 118.187 10000.700 -9882.510 25953 7289 1 18 . 1 1 596 596 HA H 596 6.064 6.064 9999.590 -9993.530 25953 7290 1 18 . 1 1 596 596 CA C 596 58.668 58.668 9998.890 -9940.220 25953 7291 1 18 . 1 1 596 596 CB C 596 32.486 32.486 10000.800 -9968.310 25953 7292 1 18 . 1 1 596 596 H H 596 9.113 9.113 9999.810 -9990.700 25953 7293 1 18 . 1 1 597 597 SER N N 597 118.403 118.403 119.529 -1.126 25953 7294 1 18 . 1 1 597 597 SER HA H 597 4.798 4.798 4.392 0.406 25953 7295 1 18 . 1 1 597 597 SER C C 597 179.336 179.336 176.490 2.846 25953 7296 1 18 . 1 1 597 597 SER CA C 597 60.633 60.633 61.695 -1.062 25953 7297 1 18 . 1 1 597 597 SER CB C 597 62.965 62.965 63.354 -0.389 25953 7298 1 18 . 1 1 597 597 SER H H 597 8.110 8.110 8.882 -0.772 25953 7299 1 18 . 1 1 598 598 THR N N 598 111.927 111.927 117.206 -5.279 25953 7300 1 18 . 1 1 598 598 THR HA H 598 3.991 3.991 4.224 -0.233 25953 7301 1 18 . 1 1 598 598 THR C C 598 178.244 178.244 175.981 2.263 25953 7302 1 18 . 1 1 598 598 THR CA C 598 64.766 64.766 65.661 -0.895 25953 7303 1 18 . 1 1 598 598 THR CB C 598 67.467 67.467 68.247 -0.780 25953 7304 1 18 . 1 1 598 598 THR H H 598 9.120 9.120 8.187 0.933 25953 7305 1 18 . 1 1 599 599 N N 599 117.596 117.596 9999.570 -9881.970 25953 7306 1 18 . 1 1 599 599 HA H 599 4.055 4.055 9998.950 -9994.900 25953 7307 1 18 . 1 1 599 599 C C 599 177.266 177.266 10001.000 -9823.730 25953 7308 1 18 . 1 1 599 599 CA C 599 63.602 63.602 10002.100 -9938.500 25953 7309 1 18 . 1 1 599 599 CB C 599 30.014 30.014 9997.590 -9967.580 25953 7310 1 18 . 1 1 599 599 H H 599 6.935 6.935 9998.800 -9991.870 25953 7311 1 18 . 1 1 600 600 TYR N N 600 119.532 119.532 121.252 -1.720 25953 7312 1 18 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.010 -0.413 25953 7313 1 18 . 1 1 600 600 TYR C C 600 177.533 177.533 177.710 -0.177 25953 7314 1 18 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.224 0.910 25953 7315 1 18 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.086 1.335 25953 7316 1 18 . 1 1 600 600 TYR H H 600 8.396 8.396 8.820 -0.424 25953 7317 1 18 . 1 1 601 601 N N 601 117.457 117.457 9998.400 -9880.940 25953 7318 1 18 . 1 1 601 601 HA H 601 4.126 4.126 9998.530 -9994.400 25953 7319 1 18 . 1 1 601 601 CA C 601 60.119 60.119 10001.800 -9941.680 25953 7320 1 18 . 1 1 601 601 CB C 601 29.903 29.903 9999.210 -9969.310 25953 7321 1 18 . 1 1 601 601 H H 601 8.417 8.417 9999.100 -9990.680 25953 7322 1 18 . 1 1 602 602 GLU N N 602 118.228 118.228 119.011 -0.783 25953 7323 1 18 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.076 0.005 25953 7324 1 18 . 1 1 602 602 GLU C C 602 177.912 177.912 177.387 0.525 25953 7325 1 18 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.223 -0.063 25953 7326 1 18 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.422 0.311 25953 7327 1 18 . 1 1 602 602 GLU H H 602 8.094 8.094 8.017 0.077 25953 7328 1 18 . 1 1 603 603 THR N N 603 111.252 111.252 113.787 -2.535 25953 7329 1 18 . 1 1 603 603 THR HA H 603 4.265 4.265 4.272 -0.007 25953 7330 1 18 . 1 1 603 603 THR C C 603 175.279 175.279 174.156 1.123 25953 7331 1 18 . 1 1 603 603 THR CA C 603 63.116 63.116 61.801 1.315 25953 7332 1 18 . 1 1 603 603 THR CB C 603 69.801 69.801 69.325 0.477 25953 7333 1 18 . 1 1 603 603 THR H H 603 7.578 7.578 7.469 0.109 25953 7334 1 18 . 1 1 604 604 SER N N 604 117.291 117.291 117.837 -0.546 25953 7335 1 18 . 1 1 604 604 SER HA H 604 4.221 4.221 3.347 0.874 25953 7336 1 18 . 1 1 604 604 SER C C 604 174.838 174.838 174.548 0.290 25953 7337 1 18 . 1 1 604 604 SER CA C 604 59.105 59.105 58.761 0.344 25953 7338 1 18 . 1 1 604 604 SER CB C 604 63.387 63.387 63.744 -0.357 25953 7339 1 18 . 1 1 604 604 SER H H 604 7.849 7.849 7.332 0.517 25953 7340 1 18 . 1 1 605 605 GLN N N 605 120.747 120.747 126.971 -6.224 25953 7341 1 18 . 1 1 605 605 GLN C C 605 175.801 175.801 175.627 0.174 25953 7342 1 18 . 1 1 605 605 GLN CA C 605 56.080 56.080 56.288 -0.208 25953 7343 1 18 . 1 1 605 605 GLN CB C 605 28.926 28.926 29.359 -0.433 25953 7344 1 18 . 1 1 605 605 GLN H H 605 7.971 7.971 7.866 0.105 25953 7345 1 19 . 1 1 535 535 SER HA H 535 4.465 4.465 4.753 -0.288 25953 7346 1 19 . 1 1 535 535 SER C C 535 174.718 174.718 173.774 0.944 25953 7347 1 19 . 1 1 535 535 SER CA C 535 58.323 58.323 58.760 -0.437 25953 7348 1 19 . 1 1 535 535 SER CB C 535 63.845 63.845 64.685 -0.840 25953 7349 1 19 . 1 1 536 536 GLU N N 536 122.899 122.899 120.543 2.356 25953 7350 1 19 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.204 -0.003 25953 7351 1 19 . 1 1 536 536 GLU C C 536 176.241 176.241 175.455 0.786 25953 7352 1 19 . 1 1 536 536 GLU CA C 536 57.077 57.077 55.499 1.578 25953 7353 1 19 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.575 -0.743 25953 7354 1 19 . 1 1 536 536 GLU H H 536 8.638 8.638 8.219 0.419 25953 7355 1 19 . 1 1 537 537 PHE N N 537 120.390 120.390 125.080 -4.690 25953 7356 1 19 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.652 -0.011 25953 7357 1 19 . 1 1 537 537 PHE C C 537 176.005 176.005 175.982 0.023 25953 7358 1 19 . 1 1 537 537 PHE CA C 537 57.804 57.804 56.762 1.042 25953 7359 1 19 . 1 1 537 537 PHE CB C 537 39.450 39.450 37.765 1.685 25953 7360 1 19 . 1 1 537 537 PHE H H 537 8.266 8.266 8.422 -0.156 25953 7361 1 19 . 1 1 538 538 SER N N 538 117.148 117.148 116.244 0.904 25953 7362 1 19 . 1 1 538 538 SER HA H 538 4.399 4.399 4.351 0.048 25953 7363 1 19 . 1 1 538 538 SER C C 538 174.167 174.167 174.439 -0.272 25953 7364 1 19 . 1 1 538 538 SER CA C 538 58.437 58.437 59.034 -0.597 25953 7365 1 19 . 1 1 538 538 SER CB C 538 63.956 63.956 63.240 0.716 25953 7366 1 19 . 1 1 538 538 SER H H 538 8.194 8.194 8.023 0.171 25953 7367 1 19 . 1 1 539 539 ASP N N 539 122.404 122.404 122.582 -0.178 25953 7368 1 19 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.558 0.028 25953 7369 1 19 . 1 1 539 539 ASP C C 539 176.496 176.496 177.350 -0.854 25953 7370 1 19 . 1 1 539 539 ASP CA C 539 54.471 54.471 55.684 -1.213 25953 7371 1 19 . 1 1 539 539 ASP CB C 539 41.021 41.021 41.394 -0.373 25953 7372 1 19 . 1 1 539 539 ASP H H 539 8.333 8.333 8.325 0.008 25953 7373 1 19 . 1 1 540 540 ARG N N 540 121.337 121.337 119.359 1.978 25953 7374 1 19 . 1 1 540 540 ARG HA H 540 4.363 4.363 3.953 0.410 25953 7375 1 19 . 1 1 540 540 ARG C C 540 176.889 176.889 175.005 1.884 25953 7376 1 19 . 1 1 540 540 ARG CA C 540 56.406 56.406 57.200 -0.794 25953 7377 1 19 . 1 1 540 540 ARG CB C 540 30.365 30.365 28.999 1.366 25953 7378 1 19 . 1 1 540 540 ARG H H 540 8.293 8.293 8.752 -0.459 25953 7379 1 19 . 1 1 541 541 SER N N 541 116.606 116.606 115.254 1.352 25953 7380 1 19 . 1 1 541 541 SER HA H 541 4.319 4.319 4.417 -0.098 25953 7381 1 19 . 1 1 541 541 SER C C 541 175.060 175.060 175.015 0.045 25953 7382 1 19 . 1 1 541 541 SER CA C 541 59.655 59.655 58.496 1.159 25953 7383 1 19 . 1 1 541 541 SER CB C 541 63.417 63.417 63.546 -0.129 25953 7384 1 19 . 1 1 541 541 SER H H 541 8.369 8.369 7.780 0.589 25953 7385 1 19 . 1 1 542 542 ASN N N 542 120.759 120.759 126.528 -5.769 25953 7386 1 19 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.708 -0.008 25953 7387 1 19 . 1 1 542 542 ASN C C 542 175.903 175.903 176.764 -0.861 25953 7388 1 19 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.246 -0.458 25953 7389 1 19 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.574 0.154 25953 7390 1 19 . 1 1 542 542 ASN H H 542 8.451 8.451 8.831 -0.380 25953 7391 1 19 . 1 1 543 543 GLU N N 543 120.886 120.886 121.309 -0.423 25953 7392 1 19 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.043 -0.052 25953 7393 1 19 . 1 1 543 543 GLU C C 543 177.658 177.658 178.002 -0.344 25953 7394 1 19 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.877 -0.088 25953 7395 1 19 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.602 0.152 25953 7396 1 19 . 1 1 543 543 GLU H H 543 8.257 8.257 7.773 0.484 25953 7397 1 19 . 1 1 544 544 LEU N N 544 119.978 119.978 117.834 2.144 25953 7398 1 19 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.047 0.040 25953 7399 1 19 . 1 1 544 544 LEU C C 544 179.340 179.340 178.738 0.602 25953 7400 1 19 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.661 0.537 25953 7401 1 19 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.747 -0.136 25953 7402 1 19 . 1 1 544 544 LEU H H 544 8.104 8.104 7.999 0.105 25953 7403 1 19 . 1 1 545 545 GLU N N 545 120.432 120.432 120.172 0.260 25953 7404 1 19 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.053 0.007 25953 7405 1 19 . 1 1 545 545 GLU C C 545 178.371 178.371 179.395 -1.024 25953 7406 1 19 . 1 1 545 545 GLU CA C 545 58.243 58.243 59.070 -0.827 25953 7407 1 19 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.600 -0.035 25953 7408 1 19 . 1 1 545 545 GLU H H 545 7.995 7.995 7.384 0.611 25953 7409 1 19 . 1 1 546 546 ILE N N 546 119.751 119.751 119.434 0.317 25953 7410 1 19 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.777 -0.153 25953 7411 1 19 . 1 1 546 546 ILE C C 546 178.857 178.857 177.994 0.863 25953 7412 1 19 . 1 1 546 546 ILE CA C 546 63.839 63.839 64.276 -0.437 25953 7413 1 19 . 1 1 546 546 ILE CB C 546 37.654 37.654 36.643 1.011 25953 7414 1 19 . 1 1 546 546 ILE H H 546 7.828 7.828 7.453 0.375 25953 7415 1 19 . 1 1 547 547 ARG N N 547 120.304 120.304 118.451 1.853 25953 7416 1 19 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.342 0.015 25953 7417 1 19 . 1 1 547 547 ARG C C 547 176.842 176.842 178.306 -1.464 25953 7418 1 19 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.825 -0.950 25953 7419 1 19 . 1 1 547 547 ARG CB C 547 30.460 30.460 29.848 0.612 25953 7420 1 19 . 1 1 547 547 ARG H H 547 8.313 8.313 7.738 0.575 25953 7421 1 19 . 1 1 548 548 GLY N N 548 104.777 104.777 104.998 -0.221 25953 7422 1 19 . 1 1 548 548 GLY C C 548 175.105 175.105 174.990 0.115 25953 7423 1 19 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.726 0.734 25953 7424 1 19 . 1 1 548 548 GLY H H 548 7.823 7.823 7.490 0.333 25953 7425 1 19 . 1 1 549 549 LYS N N 549 122.134 122.134 121.295 0.839 25953 7426 1 19 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.331 0.046 25953 7427 1 19 . 1 1 549 549 LYS C C 549 175.156 175.156 175.617 -0.461 25953 7428 1 19 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.131 1.242 25953 7429 1 19 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.781 -0.634 25953 7430 1 19 . 1 1 549 549 LYS H H 549 7.257 7.257 7.525 -0.268 25953 7431 1 19 . 1 1 550 550 TYR N N 550 117.482 117.482 119.102 -1.620 25953 7432 1 19 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.775 -0.017 25953 7433 1 19 . 1 1 550 550 TYR C C 550 174.650 174.650 173.893 0.757 25953 7434 1 19 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.179 0.851 25953 7435 1 19 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.475 0.752 25953 7436 1 19 . 1 1 550 550 TYR H H 550 8.108 8.108 8.311 -0.203 25953 7437 1 19 . 1 1 551 551 VAL N N 551 117.964 117.964 113.847 4.117 25953 7438 1 19 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.164 0.295 25953 7439 1 19 . 1 1 551 551 VAL C C 551 174.974 174.974 174.124 0.850 25953 7440 1 19 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.852 -1.814 25953 7441 1 19 . 1 1 551 551 VAL CB C 551 36.793 36.793 35.386 1.407 25953 7442 1 19 . 1 1 551 551 VAL H H 551 8.549 8.549 8.013 0.536 25953 7443 1 19 . 1 1 552 552 VAL N N 552 126.679 126.679 125.228 1.451 25953 7444 1 19 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.099 0.060 25953 7445 1 19 . 1 1 552 552 VAL C C 552 175.545 175.545 175.435 0.110 25953 7446 1 19 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.576 0.576 25953 7447 1 19 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.355 -0.397 25953 7448 1 19 . 1 1 552 552 VAL H H 552 8.642 8.642 8.133 0.509 25953 7449 1 19 . 1 1 553 553 VAL N N 553 129.744 129.744 128.886 0.858 25953 7450 1 19 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.141 -1.682 25953 7451 1 19 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.089 3.079 25953 7452 1 19 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.730 -2.346 25953 7453 1 19 . 1 1 553 553 VAL H H 553 8.341 8.341 8.294 0.047 25953 7454 1 19 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.512 -0.124 25953 7455 1 19 . 1 1 554 554 PRO C C 554 178.374 178.374 177.513 0.861 25953 7456 1 19 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.832 -0.256 25953 7457 1 19 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.270 0.485 25953 7458 1 19 . 1 1 555 555 GLU N N 555 122.440 122.440 121.918 0.522 25953 7459 1 19 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.843 0.211 25953 7460 1 19 . 1 1 555 555 GLU C C 555 176.757 176.757 177.022 -0.265 25953 7461 1 19 . 1 1 555 555 GLU CA C 555 58.501 58.501 58.925 -0.424 25953 7462 1 19 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.291 0.122 25953 7463 1 19 . 1 1 555 555 GLU H H 555 8.904 8.904 8.799 0.105 25953 7464 1 19 . 1 1 556 556 THR N N 556 104.703 104.703 107.328 -2.625 25953 7465 1 19 . 1 1 556 556 THR HA H 556 4.152 4.152 4.183 -0.031 25953 7466 1 19 . 1 1 556 556 THR C C 556 175.161 175.161 174.839 0.322 25953 7467 1 19 . 1 1 556 556 THR CA C 556 61.379 61.379 62.753 -1.374 25953 7468 1 19 . 1 1 556 556 THR CB C 556 68.976 68.976 68.618 0.358 25953 7469 1 19 . 1 1 556 556 THR H H 556 7.160 7.160 7.692 -0.532 25953 7470 1 19 . 1 1 557 557 SER N N 557 116.705 116.705 117.550 -0.845 25953 7471 1 19 . 1 1 557 557 SER HA H 557 4.529 4.529 4.334 0.195 25953 7472 1 19 . 1 1 557 557 SER C C 557 175.325 175.325 175.350 -0.025 25953 7473 1 19 . 1 1 557 557 SER CA C 557 58.036 58.036 58.501 -0.465 25953 7474 1 19 . 1 1 557 557 SER CB C 557 63.214 63.214 63.590 -0.376 25953 7475 1 19 . 1 1 557 557 SER H H 557 7.405 7.405 7.386 0.019 25953 7476 1 19 . 1 1 558 558 GLN N N 558 127.356 127.356 126.708 0.648 25953 7477 1 19 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.141 0.028 25953 7478 1 19 . 1 1 558 558 GLN C C 558 176.491 176.491 176.716 -0.225 25953 7479 1 19 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.432 -0.838 25953 7480 1 19 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.839 -0.066 25953 7481 1 19 . 1 1 558 558 GLN H H 558 8.915 8.915 8.850 0.065 25953 7482 1 19 . 1 1 559 559 ASP N N 559 116.840 116.840 117.192 -0.352 25953 7483 1 19 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.782 -0.297 25953 7484 1 19 . 1 1 559 559 ASP C C 559 175.554 175.554 175.689 -0.135 25953 7485 1 19 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.842 -0.639 25953 7486 1 19 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.517 -0.991 25953 7487 1 19 . 1 1 559 559 ASP H H 559 8.275 8.275 8.413 -0.138 25953 7488 1 19 . 1 1 560 560 MET N N 560 112.866 112.866 116.370 -3.504 25953 7489 1 19 . 1 1 560 560 MET HA H 560 3.899 3.899 3.732 0.167 25953 7490 1 19 . 1 1 560 560 MET C C 560 175.044 175.044 174.193 0.851 25953 7491 1 19 . 1 1 560 560 MET CA C 560 56.400 56.400 56.054 0.346 25953 7492 1 19 . 1 1 560 560 MET CB C 560 30.933 30.933 30.150 0.783 25953 7493 1 19 . 1 1 560 560 MET H H 560 7.935 7.935 7.579 0.356 25953 7494 1 19 . 1 1 561 561 ALA N N 561 122.207 122.207 119.442 2.765 25953 7495 1 19 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.721 0.190 25953 7496 1 19 . 1 1 561 561 ALA C C 561 176.577 176.577 175.465 1.112 25953 7497 1 19 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.449 -0.472 25953 7498 1 19 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.399 0.888 25953 7499 1 19 . 1 1 561 561 ALA H H 561 7.910 7.910 7.658 0.252 25953 7500 1 19 . 1 1 562 562 PHE N N 562 117.027 117.027 120.696 -3.669 25953 7501 1 19 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.651 -0.015 25953 7502 1 19 . 1 1 562 562 PHE C C 562 170.988 170.988 173.099 -2.111 25953 7503 1 19 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.739 -0.508 25953 7504 1 19 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.281 -2.235 25953 7505 1 19 . 1 1 562 562 PHE H H 562 8.075 8.075 8.303 -0.228 25953 7506 1 19 . 1 1 563 563 LYS N N 563 120.420 120.420 126.568 -6.148 25953 7507 1 19 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.567 -0.067 25953 7508 1 19 . 1 1 563 563 LYS C C 563 176.093 176.093 175.703 0.390 25953 7509 1 19 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.938 -1.136 25953 7510 1 19 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.535 1.144 25953 7511 1 19 . 1 1 563 563 LYS H H 563 8.392 8.392 7.566 0.826 25953 7512 1 19 . 1 1 564 564 N N 564 132.535 132.535 10008.200 -9875.670 25953 7513 1 19 . 1 1 564 564 HA H 564 4.639 4.639 9998.970 -9994.330 25953 7514 1 19 . 1 1 564 564 C C 564 175.820 175.820 9998.130 -9822.310 25953 7515 1 19 . 1 1 564 564 CA C 564 57.545 57.545 9996.610 -9939.070 25953 7516 1 19 . 1 1 564 564 CB C 564 30.650 30.650 9998.460 -9967.810 25953 7517 1 19 . 1 1 564 564 H H 564 8.456 8.456 9999.450 -9990.990 25953 7518 1 19 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.403 -0.023 25953 7519 1 19 . 1 1 565 565 PRO C C 565 177.300 177.300 176.890 0.410 25953 7520 1 19 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.872 -0.479 25953 7521 1 19 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.744 1.261 25953 7522 1 19 . 1 1 566 566 ILE N N 566 118.529 118.529 119.673 -1.144 25953 7523 1 19 . 1 1 566 566 ILE HA H 566 4.131 4.131 4.043 0.088 25953 7524 1 19 . 1 1 566 566 ILE C C 566 176.361 176.361 177.498 -1.137 25953 7525 1 19 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.438 0.261 25953 7526 1 19 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.716 0.081 25953 7527 1 19 . 1 1 566 566 ILE H H 566 8.528 8.528 8.186 0.342 25953 7528 1 19 . 1 1 567 567 N N 567 116.646 116.646 9993.810 -9877.160 25953 7529 1 19 . 1 1 567 567 HA H 567 4.932 4.932 9999.390 -9994.460 25953 7530 1 19 . 1 1 567 567 C C 567 176.175 176.175 9998.850 -9822.670 25953 7531 1 19 . 1 1 567 567 CA C 567 58.801 58.801 9997.380 -9938.580 25953 7532 1 19 . 1 1 567 567 CB C 567 31.243 31.243 10000.700 -9969.460 25953 7533 1 19 . 1 1 567 567 H H 567 7.770 7.770 9998.610 -9990.840 25953 7534 1 19 . 1 1 568 568 LYS N N 568 116.867 116.867 119.090 -2.223 25953 7535 1 19 . 1 1 568 568 LYS HA H 568 4.015 4.015 3.944 0.071 25953 7536 1 19 . 1 1 568 568 LYS C C 568 175.290 175.290 175.260 0.030 25953 7537 1 19 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.580 0.294 25953 7538 1 19 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.764 -1.129 25953 7539 1 19 . 1 1 568 568 LYS H H 568 8.038 8.038 8.159 -0.121 25953 7540 1 19 . 1 1 569 569 GLU N N 569 120.683 120.683 118.194 2.489 25953 7541 1 19 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.689 -0.217 25953 7542 1 19 . 1 1 569 569 GLU C C 569 175.851 175.851 175.657 0.194 25953 7543 1 19 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.876 1.325 25953 7544 1 19 . 1 1 569 569 GLU CB C 569 31.343 31.343 33.102 -1.759 25953 7545 1 19 . 1 1 569 569 GLU H H 569 8.380 8.380 7.643 0.737 25953 7546 1 19 . 1 1 570 570 THR N N 570 118.082 118.082 120.222 -2.140 25953 7547 1 19 . 1 1 570 570 THR HA H 570 4.378 4.378 4.741 -0.363 25953 7548 1 19 . 1 1 570 570 THR C C 570 174.070 174.070 174.604 -0.534 25953 7549 1 19 . 1 1 570 570 THR CA C 570 63.174 63.174 62.710 0.464 25953 7550 1 19 . 1 1 570 570 THR CB C 570 69.853 69.853 68.885 0.968 25953 7551 1 19 . 1 1 570 570 THR H H 570 8.565 8.565 8.589 -0.024 25953 7552 1 19 . 1 1 571 571 VAL N N 571 132.533 132.533 127.467 5.066 25953 7553 1 19 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.441 -0.570 25953 7554 1 19 . 1 1 571 571 VAL C C 571 174.198 174.198 174.607 -0.409 25953 7555 1 19 . 1 1 571 571 VAL CA C 571 62.070 62.070 61.924 0.146 25953 7556 1 19 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.257 -1.327 25953 7557 1 19 . 1 1 571 571 VAL H H 571 8.740 8.740 8.822 -0.082 25953 7558 1 19 . 1 1 572 572 THR N N 572 116.229 116.229 117.851 -1.622 25953 7559 1 19 . 1 1 572 572 THR HA H 572 5.243 5.243 5.307 -0.064 25953 7560 1 19 . 1 1 572 572 THR C C 572 175.803 175.803 174.760 1.043 25953 7561 1 19 . 1 1 572 572 THR CA C 572 60.095 60.095 60.214 -0.118 25953 7562 1 19 . 1 1 572 572 THR CB C 572 70.889 70.889 72.508 -1.619 25953 7563 1 19 . 1 1 572 572 THR H H 572 8.089 8.089 8.070 0.019 25953 7564 1 19 . 1 1 573 573 GLY N N 573 110.544 110.544 110.860 -0.316 25953 7565 1 19 . 1 1 573 573 GLY C C 573 172.769 172.769 174.030 -1.261 25953 7566 1 19 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.745 1.688 25953 7567 1 19 . 1 1 573 573 GLY H H 573 8.871 8.871 8.467 0.404 25953 7568 1 19 . 1 1 574 574 VAL N N 574 120.833 120.833 118.527 2.306 25953 7569 1 19 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.893 -0.066 25953 7570 1 19 . 1 1 574 574 VAL C C 574 173.472 173.472 173.891 -0.419 25953 7571 1 19 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.467 0.534 25953 7572 1 19 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.887 -0.248 25953 7573 1 19 . 1 1 574 574 VAL H H 574 9.473 9.473 8.865 0.608 25953 7574 1 19 . 1 1 575 575 TYR N N 575 126.796 126.796 126.264 0.532 25953 7575 1 19 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.306 -0.745 25953 7576 1 19 . 1 1 575 575 TYR C C 575 174.622 174.622 174.640 -0.018 25953 7577 1 19 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.272 -0.040 25953 7578 1 19 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.181 -0.917 25953 7579 1 19 . 1 1 575 575 TYR H H 575 8.410 8.410 8.837 -0.427 25953 7580 1 19 . 1 1 576 576 ASP N N 576 130.548 130.548 128.052 2.496 25953 7581 1 19 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.605 -0.175 25953 7582 1 19 . 1 1 576 576 ASP C C 576 174.399 174.399 175.703 -1.304 25953 7583 1 19 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.884 -0.375 25953 7584 1 19 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.796 -0.784 25953 7585 1 19 . 1 1 576 576 ASP H H 576 8.228 8.228 8.148 0.080 25953 7586 1 19 . 1 1 577 577 GLU N N 577 125.178 125.178 126.290 -1.112 25953 7587 1 19 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.049 -0.470 25953 7588 1 19 . 1 1 577 577 GLU C C 577 178.103 178.103 177.079 1.024 25953 7589 1 19 . 1 1 577 577 GLU CA C 577 58.707 58.707 58.280 0.427 25953 7590 1 19 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.077 0.433 25953 7591 1 19 . 1 1 577 577 GLU H H 577 8.480 8.480 8.698 -0.218 25953 7592 1 19 . 1 1 578 578 GLU N N 578 117.933 117.933 120.680 -2.747 25953 7593 1 19 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.205 -0.236 25953 7594 1 19 . 1 1 578 578 GLU C C 578 177.632 177.632 178.223 -0.591 25953 7595 1 19 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.806 1.233 25953 7596 1 19 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.579 -0.193 25953 7597 1 19 . 1 1 578 578 GLU H H 578 8.126 8.126 8.032 0.094 25953 7598 1 19 . 1 1 579 579 SER N N 579 111.483 111.483 113.956 -2.473 25953 7599 1 19 . 1 1 579 579 SER HA H 579 4.343 4.343 4.467 -0.124 25953 7600 1 19 . 1 1 579 579 SER C C 579 176.070 176.070 175.767 0.303 25953 7601 1 19 . 1 1 579 579 SER CA C 579 58.557 58.557 59.062 -0.505 25953 7602 1 19 . 1 1 579 579 SER CB C 579 64.809 64.809 65.445 -0.637 25953 7603 1 19 . 1 1 579 579 SER H H 579 7.510 7.510 8.803 -1.293 25953 7604 1 19 . 1 1 580 580 GLY N N 580 113.307 113.307 111.539 1.768 25953 7605 1 19 . 1 1 580 580 GLY C C 580 173.600 173.600 173.551 0.049 25953 7606 1 19 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.230 0.876 25953 7607 1 19 . 1 1 580 580 GLY H H 580 8.196 8.196 8.010 0.186 25953 7608 1 19 . 1 1 581 581 GLU N N 581 116.623 116.623 118.872 -2.249 25953 7609 1 19 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.682 0.023 25953 7610 1 19 . 1 1 581 581 GLU C C 581 174.750 174.750 174.552 0.198 25953 7611 1 19 . 1 1 581 581 GLU CA C 581 53.869 53.869 54.142 -0.273 25953 7612 1 19 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.372 -0.762 25953 7613 1 19 . 1 1 581 581 GLU H H 581 6.994 6.994 7.328 -0.334 25953 7614 1 19 . 1 1 582 582 TRP N N 582 122.364 122.364 118.974 3.390 25953 7615 1 19 . 1 1 582 582 TRP HA H 582 4.801 4.801 4.995 -0.194 25953 7616 1 19 . 1 1 582 582 TRP C C 582 176.750 176.750 176.316 0.434 25953 7617 1 19 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.364 -0.331 25953 7618 1 19 . 1 1 582 582 TRP CB C 582 28.857 28.857 31.070 -2.212 25953 7619 1 19 . 1 1 582 582 TRP H H 582 8.841 8.841 8.689 0.152 25953 7620 1 19 . 1 1 583 583 VAL N N 583 115.147 115.147 119.205 -4.058 25953 7621 1 19 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.883 0.233 25953 7622 1 19 . 1 1 583 583 VAL C C 583 175.063 175.063 174.041 1.022 25953 7623 1 19 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.312 -0.914 25953 7624 1 19 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.661 0.108 25953 7625 1 19 . 1 1 583 583 VAL H H 583 9.440 9.440 9.352 0.088 25953 7626 1 19 . 1 1 584 584 TRP N N 584 123.710 123.710 126.017 -2.307 25953 7627 1 19 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.171 0.079 25953 7628 1 19 . 1 1 584 584 TRP C C 584 176.436 176.436 174.814 1.622 25953 7629 1 19 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.621 -0.220 25953 7630 1 19 . 1 1 584 584 TRP CB C 584 28.443 28.443 29.905 -1.462 25953 7631 1 19 . 1 1 584 584 TRP H H 584 9.295 9.295 9.028 0.267 25953 7632 1 19 . 1 1 585 585 LYS N N 585 122.031 122.031 124.116 -2.085 25953 7633 1 19 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.600 -0.037 25953 7634 1 19 . 1 1 585 585 LYS C C 585 178.886 178.886 177.755 1.131 25953 7635 1 19 . 1 1 585 585 LYS CA C 585 56.313 56.313 55.963 0.350 25953 7636 1 19 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.078 -0.645 25953 7637 1 19 . 1 1 585 585 LYS H H 585 8.689 8.689 8.694 -0.005 25953 7638 1 19 . 1 1 586 586 ASN N N 586 123.634 123.634 120.500 3.134 25953 7639 1 19 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.465 0.438 25953 7640 1 19 . 1 1 586 586 ASN C C 586 176.043 176.043 173.959 2.084 25953 7641 1 19 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.461 0.241 25953 7642 1 19 . 1 1 586 586 ASN CB C 586 37.052 37.052 38.059 -1.007 25953 7643 1 19 . 1 1 586 586 ASN H H 586 8.830 8.830 8.947 -0.117 25953 7644 1 19 . 1 1 587 587 THR N N 587 114.536 114.536 113.939 0.597 25953 7645 1 19 . 1 1 587 587 THR HA H 587 5.482 5.482 5.193 0.289 25953 7646 1 19 . 1 1 587 587 THR C C 587 171.882 171.882 173.181 -1.299 25953 7647 1 19 . 1 1 587 587 THR CA C 587 63.252 63.252 61.868 1.384 25953 7648 1 19 . 1 1 587 587 THR CB C 587 73.106 73.106 72.437 0.669 25953 7649 1 19 . 1 1 587 587 THR H H 587 8.179 8.179 7.861 0.318 25953 7650 1 19 . 1 1 588 588 ILE N N 588 120.751 120.751 120.860 -0.109 25953 7651 1 19 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.471 -0.040 25953 7652 1 19 . 1 1 588 588 ILE C C 588 171.550 171.550 172.788 -1.238 25953 7653 1 19 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.532 -0.572 25953 7654 1 19 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.425 1.927 25953 7655 1 19 . 1 1 588 588 ILE H H 588 8.984 8.984 9.175 -0.191 25953 7656 1 19 . 1 1 589 589 GLU N N 589 125.535 125.535 128.667 -3.132 25953 7657 1 19 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.703 0.108 25953 7658 1 19 . 1 1 589 589 GLU C C 589 175.587 175.587 174.426 1.161 25953 7659 1 19 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.132 0.029 25953 7660 1 19 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.661 -0.038 25953 7661 1 19 . 1 1 589 589 GLU H H 589 8.337 8.337 8.274 0.063 25953 7662 1 19 . 1 1 590 590 VAL N N 590 126.684 126.684 124.849 1.835 25953 7663 1 19 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.302 -0.315 25953 7664 1 19 . 1 1 590 590 VAL C C 590 176.078 176.078 175.877 0.201 25953 7665 1 19 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.501 1.073 25953 7666 1 19 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.072 -0.244 25953 7667 1 19 . 1 1 590 590 VAL H H 590 9.013 9.013 9.030 -0.017 25953 7668 1 19 . 1 1 591 591 ASN N N 591 127.075 127.075 126.336 0.739 25953 7669 1 19 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.387 -0.084 25953 7670 1 19 . 1 1 591 591 ASN C C 591 175.223 175.223 175.454 -0.231 25953 7671 1 19 . 1 1 591 591 ASN CA C 591 54.048 54.048 53.897 0.151 25953 7672 1 19 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.642 -0.873 25953 7673 1 19 . 1 1 591 591 ASN H H 591 9.347 9.347 9.216 0.131 25953 7674 1 19 . 1 1 592 592 GLY N N 592 104.628 104.628 104.101 0.527 25953 7675 1 19 . 1 1 592 592 GLY C C 592 172.842 172.842 173.564 -0.722 25953 7676 1 19 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.001 0.280 25953 7677 1 19 . 1 1 592 592 GLY H H 592 8.990 8.990 8.176 0.814 25953 7678 1 19 . 1 1 593 593 LYS N N 593 120.387 120.387 120.864 -0.477 25953 7679 1 19 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.608 -0.421 25953 7680 1 19 . 1 1 593 593 LYS C C 593 173.344 173.344 175.373 -2.029 25953 7681 1 19 . 1 1 593 593 LYS CA C 593 54.139 54.139 54.964 -0.825 25953 7682 1 19 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.568 0.378 25953 7683 1 19 . 1 1 593 593 LYS H H 593 7.485 7.485 7.963 -0.478 25953 7684 1 19 . 1 1 594 594 TYR N N 594 119.730 119.730 120.512 -0.782 25953 7685 1 19 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.773 0.058 25953 7686 1 19 . 1 1 594 594 TYR C C 594 173.851 173.851 175.632 -1.781 25953 7687 1 19 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.417 -0.489 25953 7688 1 19 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.849 -3.275 25953 7689 1 19 . 1 1 594 594 TYR H H 594 7.092 7.092 8.287 -1.195 25953 7690 1 19 . 1 1 595 595 PHE N N 595 116.435 116.435 117.929 -1.494 25953 7691 1 19 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.823 0.215 25953 7692 1 19 . 1 1 595 595 PHE C C 595 177.013 177.013 174.162 2.851 25953 7693 1 19 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.122 -1.594 25953 7694 1 19 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.290 1.108 25953 7695 1 19 . 1 1 595 595 PHE H H 595 8.459 8.459 8.992 -0.533 25953 7696 1 19 . 1 1 596 596 N N 596 118.187 118.187 10001.400 -9883.210 25953 7697 1 19 . 1 1 596 596 HA H 596 6.064 6.064 9999.510 -9993.450 25953 7698 1 19 . 1 1 596 596 CA C 596 58.668 58.668 9999.030 -9940.360 25953 7699 1 19 . 1 1 596 596 CB C 596 32.486 32.486 10000.700 -9968.210 25953 7700 1 19 . 1 1 596 596 H H 596 9.113 9.113 9999.740 -9990.630 25953 7701 1 19 . 1 1 597 597 SER N N 597 118.403 118.403 120.874 -2.471 25953 7702 1 19 . 1 1 597 597 SER HA H 597 4.798 4.798 4.275 0.523 25953 7703 1 19 . 1 1 597 597 SER C C 597 179.336 179.336 176.668 2.668 25953 7704 1 19 . 1 1 597 597 SER CA C 597 60.633 60.633 62.195 -1.562 25953 7705 1 19 . 1 1 597 597 SER CB C 597 62.965 62.965 63.422 -0.457 25953 7706 1 19 . 1 1 597 597 SER H H 597 8.110 8.110 8.951 -0.841 25953 7707 1 19 . 1 1 598 598 THR N N 598 111.927 111.927 115.616 -3.689 25953 7708 1 19 . 1 1 598 598 THR HA H 598 3.991 3.991 4.155 -0.164 25953 7709 1 19 . 1 1 598 598 THR C C 598 178.244 178.244 175.780 2.464 25953 7710 1 19 . 1 1 598 598 THR CA C 598 64.766 64.766 65.092 -0.326 25953 7711 1 19 . 1 1 598 598 THR CB C 598 67.467 67.467 68.261 -0.794 25953 7712 1 19 . 1 1 598 598 THR H H 598 9.120 9.120 8.656 0.464 25953 7713 1 19 . 1 1 599 599 N N 599 117.596 117.596 9999.430 -9881.830 25953 7714 1 19 . 1 1 599 599 HA H 599 4.055 4.055 9999.060 -9995.000 25953 7715 1 19 . 1 1 599 599 C C 599 177.266 177.266 10001.100 -9823.830 25953 7716 1 19 . 1 1 599 599 CA C 599 63.602 63.602 10002.000 -9938.400 25953 7717 1 19 . 1 1 599 599 CB C 599 30.014 30.014 9997.810 -9967.800 25953 7718 1 19 . 1 1 599 599 H H 599 6.935 6.935 9998.840 -9991.910 25953 7719 1 19 . 1 1 600 600 TYR N N 600 119.532 119.532 122.498 -2.966 25953 7720 1 19 . 1 1 600 600 TYR HA H 600 3.597 3.597 3.962 -0.365 25953 7721 1 19 . 1 1 600 600 TYR C C 600 177.533 177.533 176.962 0.571 25953 7722 1 19 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.799 0.335 25953 7723 1 19 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.150 1.271 25953 7724 1 19 . 1 1 600 600 TYR H H 600 8.396 8.396 8.924 -0.528 25953 7725 1 19 . 1 1 601 601 N N 601 117.457 117.457 9998.720 -9881.260 25953 7726 1 19 . 1 1 601 601 HA H 601 4.126 4.126 9998.700 -9994.570 25953 7727 1 19 . 1 1 601 601 CA C 601 60.119 60.119 10002.600 -9942.480 25953 7728 1 19 . 1 1 601 601 CB C 601 29.903 29.903 9999.070 -9969.170 25953 7729 1 19 . 1 1 601 601 H H 601 8.417 8.417 9999.310 -9990.890 25953 7730 1 19 . 1 1 602 602 GLU N N 602 118.228 118.228 116.760 1.468 25953 7731 1 19 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.119 -0.038 25953 7732 1 19 . 1 1 602 602 GLU C C 602 177.912 177.912 177.530 0.382 25953 7733 1 19 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.916 0.244 25953 7734 1 19 . 1 1 602 602 GLU CB C 602 29.733 29.733 30.073 -0.340 25953 7735 1 19 . 1 1 602 602 GLU H H 602 8.094 8.094 7.963 0.131 25953 7736 1 19 . 1 1 603 603 THR N N 603 111.252 111.252 112.712 -1.460 25953 7737 1 19 . 1 1 603 603 THR HA H 603 4.265 4.265 4.251 0.014 25953 7738 1 19 . 1 1 603 603 THR C C 603 175.279 175.279 174.667 0.612 25953 7739 1 19 . 1 1 603 603 THR CA C 603 63.116 63.116 61.570 1.546 25953 7740 1 19 . 1 1 603 603 THR CB C 603 69.801 69.801 69.779 0.022 25953 7741 1 19 . 1 1 603 603 THR H H 603 7.578 7.578 7.369 0.209 25953 7742 1 19 . 1 1 604 604 SER N N 604 117.291 117.291 114.826 2.465 25953 7743 1 19 . 1 1 604 604 SER HA H 604 4.221 4.221 3.651 0.570 25953 7744 1 19 . 1 1 604 604 SER C C 604 174.838 174.838 172.478 2.360 25953 7745 1 19 . 1 1 604 604 SER CA C 604 59.105 59.105 59.972 -0.867 25953 7746 1 19 . 1 1 604 604 SER CB C 604 63.387 63.387 62.908 0.479 25953 7747 1 19 . 1 1 604 604 SER H H 604 7.849 7.849 7.906 -0.057 25953 7748 1 19 . 1 1 605 605 GLN N N 605 120.747 120.747 120.085 0.662 25953 7749 1 19 . 1 1 605 605 GLN C C 605 175.801 175.801 174.455 1.346 25953 7750 1 19 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.512 0.568 25953 7751 1 19 . 1 1 605 605 GLN CB C 605 28.926 28.926 30.996 -2.070 25953 7752 1 19 . 1 1 605 605 GLN H H 605 7.971 7.971 8.365 -0.394 25953 7753 1 20 . 1 1 535 535 SER HA H 535 4.465 4.465 4.585 -0.120 25953 7754 1 20 . 1 1 535 535 SER C C 535 174.718 174.718 172.968 1.750 25953 7755 1 20 . 1 1 535 535 SER CA C 535 58.323 58.323 57.882 0.441 25953 7756 1 20 . 1 1 535 535 SER CB C 535 63.845 63.845 65.010 -1.165 25953 7757 1 20 . 1 1 536 536 GLU N N 536 122.899 122.899 122.157 0.742 25953 7758 1 20 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.434 -0.233 25953 7759 1 20 . 1 1 536 536 GLU C C 536 176.241 176.241 175.437 0.804 25953 7760 1 20 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.645 0.432 25953 7761 1 20 . 1 1 536 536 GLU CB C 536 29.832 29.832 30.224 -0.392 25953 7762 1 20 . 1 1 536 536 GLU H H 536 8.638 8.638 8.330 0.308 25953 7763 1 20 . 1 1 537 537 PHE N N 537 120.390 120.390 120.647 -0.257 25953 7764 1 20 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.884 -0.243 25953 7765 1 20 . 1 1 537 537 PHE C C 537 176.005 176.005 173.780 2.225 25953 7766 1 20 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.141 0.663 25953 7767 1 20 . 1 1 537 537 PHE CB C 537 39.450 39.450 40.173 -0.723 25953 7768 1 20 . 1 1 537 537 PHE H H 537 8.266 8.266 7.763 0.503 25953 7769 1 20 . 1 1 538 538 SER N N 538 117.148 117.148 115.842 1.306 25953 7770 1 20 . 1 1 538 538 SER HA H 538 4.399 4.399 4.976 -0.577 25953 7771 1 20 . 1 1 538 538 SER C C 538 174.167 174.167 172.406 1.761 25953 7772 1 20 . 1 1 538 538 SER CA C 538 58.437 58.437 57.605 0.833 25953 7773 1 20 . 1 1 538 538 SER CB C 538 63.956 63.956 65.533 -1.577 25953 7774 1 20 . 1 1 538 538 SER H H 538 8.194 8.194 8.976 -0.782 25953 7775 1 20 . 1 1 539 539 ASP N N 539 122.404 122.404 120.739 1.665 25953 7776 1 20 . 1 1 539 539 ASP HA H 539 4.586 4.586 5.284 -0.698 25953 7777 1 20 . 1 1 539 539 ASP C C 539 176.496 176.496 174.677 1.819 25953 7778 1 20 . 1 1 539 539 ASP CA C 539 54.471 54.471 53.334 1.137 25953 7779 1 20 . 1 1 539 539 ASP CB C 539 41.021 41.021 42.363 -1.342 25953 7780 1 20 . 1 1 539 539 ASP H H 539 8.333 8.333 8.791 -0.458 25953 7781 1 20 . 1 1 540 540 ARG N N 540 121.337 121.337 119.939 1.398 25953 7782 1 20 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.622 -0.259 25953 7783 1 20 . 1 1 540 540 ARG C C 540 176.889 176.889 175.599 1.290 25953 7784 1 20 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.843 0.563 25953 7785 1 20 . 1 1 540 540 ARG CB C 540 30.365 30.365 31.640 -1.275 25953 7786 1 20 . 1 1 540 540 ARG H H 540 8.293 8.293 8.373 -0.080 25953 7787 1 20 . 1 1 541 541 SER N N 541 116.606 116.606 117.255 -0.649 25953 7788 1 20 . 1 1 541 541 SER HA H 541 4.319 4.319 4.631 -0.312 25953 7789 1 20 . 1 1 541 541 SER C C 541 175.060 175.060 175.058 0.002 25953 7790 1 20 . 1 1 541 541 SER CA C 541 59.655 59.655 57.599 2.056 25953 7791 1 20 . 1 1 541 541 SER CB C 541 63.417 63.417 64.366 -0.949 25953 7792 1 20 . 1 1 541 541 SER H H 541 8.369 8.369 8.367 0.002 25953 7793 1 20 . 1 1 542 542 ASN N N 542 120.759 120.759 119.965 0.794 25953 7794 1 20 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.548 0.152 25953 7795 1 20 . 1 1 542 542 ASN C C 542 175.903 175.903 176.503 -0.600 25953 7796 1 20 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.144 -0.356 25953 7797 1 20 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.291 0.437 25953 7798 1 20 . 1 1 542 542 ASN H H 542 8.451 8.451 8.827 -0.376 25953 7799 1 20 . 1 1 543 543 GLU N N 543 120.886 120.886 120.498 0.388 25953 7800 1 20 . 1 1 543 543 GLU HA H 543 3.991 3.991 3.994 -0.003 25953 7801 1 20 . 1 1 543 543 GLU C C 543 177.658 177.658 178.006 -0.348 25953 7802 1 20 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.847 -0.058 25953 7803 1 20 . 1 1 543 543 GLU CB C 543 29.754 29.754 28.705 1.049 25953 7804 1 20 . 1 1 543 543 GLU H H 543 8.257 8.257 8.756 -0.499 25953 7805 1 20 . 1 1 544 544 LEU N N 544 119.978 119.978 117.685 2.293 25953 7806 1 20 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.098 -0.011 25953 7807 1 20 . 1 1 544 544 LEU C C 544 179.340 179.340 178.793 0.547 25953 7808 1 20 . 1 1 544 544 LEU CA C 544 57.198 57.198 57.522 -0.324 25953 7809 1 20 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.500 0.111 25953 7810 1 20 . 1 1 544 544 LEU H H 544 8.104 8.104 7.690 0.414 25953 7811 1 20 . 1 1 545 545 GLU N N 545 120.432 120.432 119.482 0.950 25953 7812 1 20 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.117 -0.057 25953 7813 1 20 . 1 1 545 545 GLU C C 545 178.371 178.371 177.810 0.561 25953 7814 1 20 . 1 1 545 545 GLU CA C 545 58.243 58.243 58.958 -0.715 25953 7815 1 20 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.682 -0.117 25953 7816 1 20 . 1 1 545 545 GLU H H 545 7.995 7.995 7.777 0.218 25953 7817 1 20 . 1 1 546 546 ILE N N 546 119.751 119.751 117.831 1.920 25953 7818 1 20 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.790 -0.166 25953 7819 1 20 . 1 1 546 546 ILE C C 546 178.857 178.857 178.351 0.506 25953 7820 1 20 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.508 0.331 25953 7821 1 20 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.193 0.461 25953 7822 1 20 . 1 1 546 546 ILE H H 546 7.828 7.828 7.138 0.690 25953 7823 1 20 . 1 1 547 547 ARG N N 547 120.304 120.304 119.345 0.959 25953 7824 1 20 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.170 0.187 25953 7825 1 20 . 1 1 547 547 ARG C C 547 176.842 176.842 178.586 -1.744 25953 7826 1 20 . 1 1 547 547 ARG CA C 547 57.875 57.875 59.144 -1.269 25953 7827 1 20 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.133 0.327 25953 7828 1 20 . 1 1 547 547 ARG H H 547 8.313 8.313 7.722 0.591 25953 7829 1 20 . 1 1 548 548 GLY N N 548 104.777 104.777 104.795 -0.018 25953 7830 1 20 . 1 1 548 548 GLY C C 548 175.105 175.105 174.823 0.282 25953 7831 1 20 . 1 1 548 548 GLY CA C 548 45.460 45.460 45.008 0.452 25953 7832 1 20 . 1 1 548 548 GLY H H 548 7.823 7.823 7.688 0.135 25953 7833 1 20 . 1 1 549 549 LYS N N 549 122.134 122.134 121.123 1.011 25953 7834 1 20 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.342 0.035 25953 7835 1 20 . 1 1 549 549 LYS C C 549 175.156 175.156 175.174 -0.018 25953 7836 1 20 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.986 0.387 25953 7837 1 20 . 1 1 549 549 LYS CB C 549 32.147 32.147 33.226 -1.079 25953 7838 1 20 . 1 1 549 549 LYS H H 549 7.257 7.257 7.457 -0.200 25953 7839 1 20 . 1 1 550 550 TYR N N 550 117.482 117.482 115.132 2.350 25953 7840 1 20 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.633 0.125 25953 7841 1 20 . 1 1 550 550 TYR C C 550 174.650 174.650 173.934 0.716 25953 7842 1 20 . 1 1 550 550 TYR CA C 550 56.030 56.030 56.676 -0.646 25953 7843 1 20 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.568 0.659 25953 7844 1 20 . 1 1 550 550 TYR H H 550 8.108 8.108 7.855 0.253 25953 7845 1 20 . 1 1 551 551 VAL N N 551 117.964 117.964 118.475 -0.511 25953 7846 1 20 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.388 0.071 25953 7847 1 20 . 1 1 551 551 VAL C C 551 174.974 174.974 174.609 0.365 25953 7848 1 20 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.438 -1.400 25953 7849 1 20 . 1 1 551 551 VAL CB C 551 36.793 36.793 37.186 -0.393 25953 7850 1 20 . 1 1 551 551 VAL H H 551 8.549 8.549 8.540 0.009 25953 7851 1 20 . 1 1 552 552 VAL N N 552 126.679 126.679 125.462 1.217 25953 7852 1 20 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.236 -0.077 25953 7853 1 20 . 1 1 552 552 VAL C C 552 175.545 175.545 174.570 0.975 25953 7854 1 20 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.842 0.310 25953 7855 1 20 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.912 -0.954 25953 7856 1 20 . 1 1 552 552 VAL H H 552 8.642 8.642 8.624 0.018 25953 7857 1 20 . 1 1 553 553 VAL N N 553 129.744 129.744 128.728 1.016 25953 7858 1 20 . 1 1 553 553 VAL HA H 553 2.459 2.459 3.944 -1.485 25953 7859 1 20 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.782 2.386 25953 7860 1 20 . 1 1 553 553 VAL CB C 553 31.384 31.384 32.645 -1.261 25953 7861 1 20 . 1 1 553 553 VAL H H 553 8.341 8.341 8.074 0.267 25953 7862 1 20 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.492 -0.104 25953 7863 1 20 . 1 1 554 554 PRO C C 554 178.374 178.374 177.130 1.244 25953 7864 1 20 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.374 0.202 25953 7865 1 20 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.779 -0.023 25953 7866 1 20 . 1 1 555 555 GLU N N 555 122.440 122.440 122.226 0.214 25953 7867 1 20 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.998 0.056 25953 7868 1 20 . 1 1 555 555 GLU C C 555 176.757 176.757 178.534 -1.777 25953 7869 1 20 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.603 -1.102 25953 7870 1 20 . 1 1 555 555 GLU CB C 555 29.413 29.413 29.279 0.134 25953 7871 1 20 . 1 1 555 555 GLU H H 555 8.904 8.904 8.895 0.009 25953 7872 1 20 . 1 1 556 556 THR N N 556 104.703 104.703 108.135 -3.432 25953 7873 1 20 . 1 1 556 556 THR HA H 556 4.152 4.152 4.171 -0.019 25953 7874 1 20 . 1 1 556 556 THR C C 556 175.161 175.161 175.624 -0.463 25953 7875 1 20 . 1 1 556 556 THR CA C 556 61.379 61.379 63.673 -2.295 25953 7876 1 20 . 1 1 556 556 THR CB C 556 68.976 68.976 68.491 0.485 25953 7877 1 20 . 1 1 556 556 THR H H 556 7.160 7.160 8.069 -0.909 25953 7878 1 20 . 1 1 557 557 SER N N 557 116.705 116.705 116.462 0.243 25953 7879 1 20 . 1 1 557 557 SER HA H 557 4.529 4.529 4.263 0.266 25953 7880 1 20 . 1 1 557 557 SER C C 557 175.325 175.325 175.527 -0.202 25953 7881 1 20 . 1 1 557 557 SER CA C 557 58.036 58.036 60.043 -2.007 25953 7882 1 20 . 1 1 557 557 SER CB C 557 63.214 63.214 63.853 -0.639 25953 7883 1 20 . 1 1 557 557 SER H H 557 7.405 7.405 7.718 -0.313 25953 7884 1 20 . 1 1 558 558 GLN N N 558 127.356 127.356 121.228 6.128 25953 7885 1 20 . 1 1 558 558 GLN HA H 558 4.169 4.169 3.931 0.238 25953 7886 1 20 . 1 1 558 558 GLN C C 558 176.491 176.491 176.005 0.486 25953 7887 1 20 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.594 -1.000 25953 7888 1 20 . 1 1 558 558 GLN CB C 558 28.773 28.773 27.212 1.562 25953 7889 1 20 . 1 1 558 558 GLN H H 558 8.915 8.915 7.933 0.982 25953 7890 1 20 . 1 1 559 559 ASP N N 559 116.840 116.840 118.541 -1.701 25953 7891 1 20 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.805 -0.320 25953 7892 1 20 . 1 1 559 559 ASP C C 559 175.554 175.554 175.947 -0.393 25953 7893 1 20 . 1 1 559 559 ASP CA C 559 53.203 53.203 53.623 -0.420 25953 7894 1 20 . 1 1 559 559 ASP CB C 559 40.526 40.526 41.479 -0.953 25953 7895 1 20 . 1 1 559 559 ASP H H 559 8.275 8.275 8.256 0.019 25953 7896 1 20 . 1 1 560 560 MET N N 560 112.866 112.866 115.074 -2.208 25953 7897 1 20 . 1 1 560 560 MET HA H 560 3.899 3.899 3.721 0.178 25953 7898 1 20 . 1 1 560 560 MET C C 560 175.044 175.044 174.316 0.728 25953 7899 1 20 . 1 1 560 560 MET CA C 560 56.400 56.400 56.057 0.343 25953 7900 1 20 . 1 1 560 560 MET CB C 560 30.933 30.933 29.885 1.048 25953 7901 1 20 . 1 1 560 560 MET H H 560 7.935 7.935 7.532 0.403 25953 7902 1 20 . 1 1 561 561 ALA N N 561 122.207 122.207 120.097 2.110 25953 7903 1 20 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.903 0.008 25953 7904 1 20 . 1 1 561 561 ALA C C 561 176.577 176.577 175.757 0.820 25953 7905 1 20 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.585 -0.608 25953 7906 1 20 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.252 1.035 25953 7907 1 20 . 1 1 561 561 ALA H H 561 7.910 7.910 7.837 0.073 25953 7908 1 20 . 1 1 562 562 PHE N N 562 117.027 117.027 122.936 -5.909 25953 7909 1 20 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.794 -0.158 25953 7910 1 20 . 1 1 562 562 PHE C C 562 170.988 170.988 173.040 -2.052 25953 7911 1 20 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.852 -0.622 25953 7912 1 20 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.335 -2.289 25953 7913 1 20 . 1 1 562 562 PHE H H 562 8.075 8.075 8.533 -0.458 25953 7914 1 20 . 1 1 563 563 LYS N N 563 120.420 120.420 125.651 -5.231 25953 7915 1 20 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.437 0.063 25953 7916 1 20 . 1 1 563 563 LYS C C 563 176.093 176.093 175.144 0.949 25953 7917 1 20 . 1 1 563 563 LYS CA C 563 53.802 53.802 54.948 -1.146 25953 7918 1 20 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.526 1.153 25953 7919 1 20 . 1 1 563 563 LYS H H 563 8.392 8.392 7.058 1.334 25953 7920 1 20 . 1 1 564 564 N N 564 132.535 132.535 10007.700 -9875.170 25953 7921 1 20 . 1 1 564 564 HA H 564 4.639 4.639 9999.000 -9994.360 25953 7922 1 20 . 1 1 564 564 C C 564 175.820 175.820 9998.170 -9822.350 25953 7923 1 20 . 1 1 564 564 CA C 564 57.545 57.545 9995.990 -9938.450 25953 7924 1 20 . 1 1 564 564 CB C 564 30.650 30.650 9998.480 -9967.830 25953 7925 1 20 . 1 1 564 564 H H 564 8.456 8.456 9999.320 -9990.860 25953 7926 1 20 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.357 0.023 25953 7927 1 20 . 1 1 565 565 PRO C C 565 177.300 177.300 176.871 0.429 25953 7928 1 20 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.837 -0.444 25953 7929 1 20 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.685 1.320 25953 7930 1 20 . 1 1 566 566 ILE N N 566 118.529 118.529 119.699 -1.170 25953 7931 1 20 . 1 1 566 566 ILE HA H 566 4.131 4.131 4.002 0.129 25953 7932 1 20 . 1 1 566 566 ILE C C 566 176.361 176.361 177.563 -1.202 25953 7933 1 20 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.580 0.119 25953 7934 1 20 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.598 0.199 25953 7935 1 20 . 1 1 566 566 ILE H H 566 8.528 8.528 8.241 0.287 25953 7936 1 20 . 1 1 567 567 N N 567 116.646 116.646 9993.960 -9877.310 25953 7937 1 20 . 1 1 567 567 HA H 567 4.932 4.932 9999.380 -9994.450 25953 7938 1 20 . 1 1 567 567 C C 567 176.175 176.175 9999.160 -9822.990 25953 7939 1 20 . 1 1 567 567 CA C 567 58.801 58.801 9997.130 -9938.330 25953 7940 1 20 . 1 1 567 567 CB C 567 31.243 31.243 10000.800 -9969.560 25953 7941 1 20 . 1 1 567 567 H H 567 7.770 7.770 9998.620 -9990.850 25953 7942 1 20 . 1 1 568 568 LYS N N 568 116.867 116.867 119.926 -3.059 25953 7943 1 20 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.015 0.000 25953 7944 1 20 . 1 1 568 568 LYS C C 568 175.290 175.290 175.220 0.070 25953 7945 1 20 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.454 0.420 25953 7946 1 20 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.902 -1.267 25953 7947 1 20 . 1 1 568 568 LYS H H 568 8.038 8.038 8.220 -0.182 25953 7948 1 20 . 1 1 569 569 GLU N N 569 120.683 120.683 118.387 2.296 25953 7949 1 20 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.597 -0.125 25953 7950 1 20 . 1 1 569 569 GLU C C 569 175.851 175.851 175.944 -0.093 25953 7951 1 20 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.713 1.488 25953 7952 1 20 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.586 -1.243 25953 7953 1 20 . 1 1 569 569 GLU H H 569 8.380 8.380 7.709 0.671 25953 7954 1 20 . 1 1 570 570 THR N N 570 118.082 118.082 120.458 -2.376 25953 7955 1 20 . 1 1 570 570 THR HA H 570 4.378 4.378 4.572 -0.194 25953 7956 1 20 . 1 1 570 570 THR C C 570 174.070 174.070 174.253 -0.183 25953 7957 1 20 . 1 1 570 570 THR CA C 570 63.174 63.174 62.961 0.213 25953 7958 1 20 . 1 1 570 570 THR CB C 570 69.853 69.853 69.281 0.571 25953 7959 1 20 . 1 1 570 570 THR H H 570 8.565 8.565 8.585 -0.020 25953 7960 1 20 . 1 1 571 571 VAL N N 571 132.533 132.533 128.080 4.453 25953 7961 1 20 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.511 -0.640 25953 7962 1 20 . 1 1 571 571 VAL C C 571 174.198 174.198 174.738 -0.540 25953 7963 1 20 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.936 1.134 25953 7964 1 20 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.721 -1.791 25953 7965 1 20 . 1 1 571 571 VAL H H 571 8.740 8.740 8.930 -0.190 25953 7966 1 20 . 1 1 572 572 THR N N 572 116.229 116.229 119.646 -3.417 25953 7967 1 20 . 1 1 572 572 THR HA H 572 5.243 5.243 5.485 -0.242 25953 7968 1 20 . 1 1 572 572 THR C C 572 175.803 175.803 175.166 0.637 25953 7969 1 20 . 1 1 572 572 THR CA C 572 60.095 60.095 59.993 0.102 25953 7970 1 20 . 1 1 572 572 THR CB C 572 70.889 70.889 71.885 -0.996 25953 7971 1 20 . 1 1 572 572 THR H H 572 8.089 8.089 8.242 -0.153 25953 7972 1 20 . 1 1 573 573 GLY N N 573 110.544 110.544 111.094 -0.550 25953 7973 1 20 . 1 1 573 573 GLY C C 573 172.769 172.769 173.874 -1.105 25953 7974 1 20 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.600 1.834 25953 7975 1 20 . 1 1 573 573 GLY H H 573 8.871 8.871 8.552 0.319 25953 7976 1 20 . 1 1 574 574 VAL N N 574 120.833 120.833 119.329 1.504 25953 7977 1 20 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.637 0.190 25953 7978 1 20 . 1 1 574 574 VAL C C 574 173.472 173.472 174.233 -0.761 25953 7979 1 20 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.827 0.174 25953 7980 1 20 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.561 0.078 25953 7981 1 20 . 1 1 574 574 VAL H H 574 9.473 9.473 8.816 0.657 25953 7982 1 20 . 1 1 575 575 TYR N N 575 126.796 126.796 126.449 0.347 25953 7983 1 20 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.884 -1.323 25953 7984 1 20 . 1 1 575 575 TYR C C 575 174.622 174.622 174.788 -0.166 25953 7985 1 20 . 1 1 575 575 TYR CA C 575 58.232 58.232 57.780 0.452 25953 7986 1 20 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.438 -1.174 25953 7987 1 20 . 1 1 575 575 TYR H H 575 8.410 8.410 8.910 -0.500 25953 7988 1 20 . 1 1 576 576 ASP N N 576 130.548 130.548 128.867 1.681 25953 7989 1 20 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.431 -0.001 25953 7990 1 20 . 1 1 576 576 ASP C C 576 174.399 174.399 175.607 -1.208 25953 7991 1 20 . 1 1 576 576 ASP CA C 576 52.509 52.509 51.908 0.601 25953 7992 1 20 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.325 -0.313 25953 7993 1 20 . 1 1 576 576 ASP H H 576 8.228 8.228 8.755 -0.527 25953 7994 1 20 . 1 1 577 577 GLU N N 577 125.178 125.178 126.035 -0.857 25953 7995 1 20 . 1 1 577 577 GLU HA H 577 3.579 3.579 3.774 -0.195 25953 7996 1 20 . 1 1 577 577 GLU C C 577 178.103 178.103 177.102 1.001 25953 7997 1 20 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.843 0.864 25953 7998 1 20 . 1 1 577 577 GLU CB C 577 29.510 29.510 28.695 0.815 25953 7999 1 20 . 1 1 577 577 GLU H H 577 8.480 8.480 8.398 0.082 25953 8000 1 20 . 1 1 578 578 GLU N N 578 117.933 117.933 119.864 -1.931 25953 8001 1 20 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.203 -0.234 25953 8002 1 20 . 1 1 578 578 GLU C C 578 177.632 177.632 178.125 -0.493 25953 8003 1 20 . 1 1 578 578 GLU CA C 578 59.039 59.039 57.691 1.348 25953 8004 1 20 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.644 -0.258 25953 8005 1 20 . 1 1 578 578 GLU H H 578 8.126 8.126 8.105 0.021 25953 8006 1 20 . 1 1 579 579 SER N N 579 111.483 111.483 113.528 -2.045 25953 8007 1 20 . 1 1 579 579 SER HA H 579 4.343 4.343 4.380 -0.037 25953 8008 1 20 . 1 1 579 579 SER C C 579 176.070 176.070 175.363 0.707 25953 8009 1 20 . 1 1 579 579 SER CA C 579 58.557 58.557 58.845 -0.288 25953 8010 1 20 . 1 1 579 579 SER CB C 579 64.809 64.809 64.244 0.565 25953 8011 1 20 . 1 1 579 579 SER H H 579 7.510 7.510 8.235 -0.725 25953 8012 1 20 . 1 1 580 580 GLY N N 580 113.307 113.307 107.658 5.649 25953 8013 1 20 . 1 1 580 580 GLY C C 580 173.600 173.600 173.910 -0.310 25953 8014 1 20 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.193 0.913 25953 8015 1 20 . 1 1 580 580 GLY H H 580 8.196 8.196 7.874 0.322 25953 8016 1 20 . 1 1 581 581 GLU N N 581 116.623 116.623 118.018 -1.395 25953 8017 1 20 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.444 0.261 25953 8018 1 20 . 1 1 581 581 GLU C C 581 174.750 174.750 174.678 0.072 25953 8019 1 20 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.820 0.049 25953 8020 1 20 . 1 1 581 581 GLU CB C 581 32.610 32.610 33.121 -0.511 25953 8021 1 20 . 1 1 581 581 GLU H H 581 6.994 6.994 7.571 -0.577 25953 8022 1 20 . 1 1 582 582 TRP N N 582 122.364 122.364 118.822 3.542 25953 8023 1 20 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.256 -0.455 25953 8024 1 20 . 1 1 582 582 TRP C C 582 176.750 176.750 176.210 0.540 25953 8025 1 20 . 1 1 582 582 TRP CA C 582 57.033 57.033 56.953 0.080 25953 8026 1 20 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.688 -1.831 25953 8027 1 20 . 1 1 582 582 TRP H H 582 8.841 8.841 8.372 0.469 25953 8028 1 20 . 1 1 583 583 VAL N N 583 115.147 115.147 119.757 -4.610 25953 8029 1 20 . 1 1 583 583 VAL HA H 583 5.116 5.116 5.115 0.001 25953 8030 1 20 . 1 1 583 583 VAL C C 583 175.063 175.063 174.275 0.788 25953 8031 1 20 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.180 -0.782 25953 8032 1 20 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.918 -0.149 25953 8033 1 20 . 1 1 583 583 VAL H H 583 9.440 9.440 9.297 0.143 25953 8034 1 20 . 1 1 584 584 TRP N N 584 123.710 123.710 126.072 -2.362 25953 8035 1 20 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.216 0.034 25953 8036 1 20 . 1 1 584 584 TRP C C 584 176.436 176.436 175.130 1.306 25953 8037 1 20 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.804 -0.403 25953 8038 1 20 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.658 -2.215 25953 8039 1 20 . 1 1 584 584 TRP H H 584 9.295 9.295 9.371 -0.076 25953 8040 1 20 . 1 1 585 585 LYS N N 585 122.031 122.031 126.127 -4.096 25953 8041 1 20 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.472 0.091 25953 8042 1 20 . 1 1 585 585 LYS C C 585 178.886 178.886 177.541 1.345 25953 8043 1 20 . 1 1 585 585 LYS CA C 585 56.313 56.313 56.963 -0.650 25953 8044 1 20 . 1 1 585 585 LYS CB C 585 33.433 33.433 33.701 -0.268 25953 8045 1 20 . 1 1 585 585 LYS H H 585 8.689 8.689 8.905 -0.216 25953 8046 1 20 . 1 1 586 586 ASN N N 586 123.634 123.634 119.853 3.781 25953 8047 1 20 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.459 0.444 25953 8048 1 20 . 1 1 586 586 ASN C C 586 176.043 176.043 174.067 1.976 25953 8049 1 20 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.569 0.133 25953 8050 1 20 . 1 1 586 586 ASN CB C 586 37.052 37.052 36.889 0.163 25953 8051 1 20 . 1 1 586 586 ASN H H 586 8.830 8.830 8.951 -0.121 25953 8052 1 20 . 1 1 587 587 THR N N 587 114.536 114.536 114.252 0.284 25953 8053 1 20 . 1 1 587 587 THR HA H 587 5.482 5.482 5.214 0.268 25953 8054 1 20 . 1 1 587 587 THR C C 587 171.882 171.882 173.329 -1.447 25953 8055 1 20 . 1 1 587 587 THR CA C 587 63.252 63.252 61.769 1.483 25953 8056 1 20 . 1 1 587 587 THR CB C 587 73.106 73.106 72.254 0.852 25953 8057 1 20 . 1 1 587 587 THR H H 587 8.179 8.179 7.900 0.279 25953 8058 1 20 . 1 1 588 588 ILE N N 588 120.751 120.751 121.272 -0.521 25953 8059 1 20 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.510 -0.079 25953 8060 1 20 . 1 1 588 588 ILE C C 588 171.550 171.550 172.923 -1.373 25953 8061 1 20 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.502 -0.542 25953 8062 1 20 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.738 1.614 25953 8063 1 20 . 1 1 588 588 ILE H H 588 8.984 8.984 9.161 -0.177 25953 8064 1 20 . 1 1 589 589 GLU N N 589 125.535 125.535 128.620 -3.085 25953 8065 1 20 . 1 1 589 589 GLU HA H 589 4.811 4.811 5.028 -0.217 25953 8066 1 20 . 1 1 589 589 GLU C C 589 175.587 175.587 174.623 0.964 25953 8067 1 20 . 1 1 589 589 GLU CA C 589 54.161 54.161 53.956 0.205 25953 8068 1 20 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.529 0.094 25953 8069 1 20 . 1 1 589 589 GLU H H 589 8.337 8.337 8.255 0.082 25953 8070 1 20 . 1 1 590 590 VAL N N 590 126.684 126.684 123.816 2.868 25953 8071 1 20 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.352 -0.365 25953 8072 1 20 . 1 1 590 590 VAL C C 590 176.078 176.078 175.467 0.611 25953 8073 1 20 . 1 1 590 590 VAL CA C 590 61.574 61.574 61.299 0.275 25953 8074 1 20 . 1 1 590 590 VAL CB C 590 33.828 33.828 35.416 -1.589 25953 8075 1 20 . 1 1 590 590 VAL H H 590 9.013 9.013 8.790 0.223 25953 8076 1 20 . 1 1 591 591 ASN N N 591 127.075 127.075 126.678 0.397 25953 8077 1 20 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.361 -0.058 25953 8078 1 20 . 1 1 591 591 ASN C C 591 175.223 175.223 175.620 -0.397 25953 8079 1 20 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.455 -0.407 25953 8080 1 20 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.399 -0.630 25953 8081 1 20 . 1 1 591 591 ASN H H 591 9.347 9.347 9.517 -0.170 25953 8082 1 20 . 1 1 592 592 GLY N N 592 104.628 104.628 104.946 -0.318 25953 8083 1 20 . 1 1 592 592 GLY C C 592 172.842 172.842 174.070 -1.228 25953 8084 1 20 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.280 0.001 25953 8085 1 20 . 1 1 592 592 GLY H H 592 8.990 8.990 8.248 0.742 25953 8086 1 20 . 1 1 593 593 LYS N N 593 120.387 120.387 121.105 -0.718 25953 8087 1 20 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.532 -0.345 25953 8088 1 20 . 1 1 593 593 LYS C C 593 173.344 173.344 175.769 -2.425 25953 8089 1 20 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.679 -1.540 25953 8090 1 20 . 1 1 593 593 LYS CB C 593 34.946 34.946 33.852 1.095 25953 8091 1 20 . 1 1 593 593 LYS H H 593 7.485 7.485 7.938 -0.453 25953 8092 1 20 . 1 1 594 594 TYR N N 594 119.730 119.730 119.892 -0.162 25953 8093 1 20 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.955 -0.124 25953 8094 1 20 . 1 1 594 594 TYR C C 594 173.851 173.851 175.818 -1.967 25953 8095 1 20 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.682 -0.754 25953 8096 1 20 . 1 1 594 594 TYR CB C 594 37.574 37.574 41.414 -3.840 25953 8097 1 20 . 1 1 594 594 TYR H H 594 7.092 7.092 8.485 -1.393 25953 8098 1 20 . 1 1 595 595 PHE N N 595 116.435 116.435 117.405 -0.970 25953 8099 1 20 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.757 0.281 25953 8100 1 20 . 1 1 595 595 PHE C C 595 177.013 177.013 173.995 3.018 25953 8101 1 20 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.297 -1.769 25953 8102 1 20 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.193 1.205 25953 8103 1 20 . 1 1 595 595 PHE H H 595 8.459 8.459 8.901 -0.442 25953 8104 1 20 . 1 1 596 596 N N 596 118.187 118.187 10001.500 -9883.310 25953 8105 1 20 . 1 1 596 596 HA H 596 6.064 6.064 9999.560 -9993.500 25953 8106 1 20 . 1 1 596 596 CA C 596 58.668 58.668 9998.910 -9940.240 25953 8107 1 20 . 1 1 596 596 CB C 596 32.486 32.486 10000.600 -9968.110 25953 8108 1 20 . 1 1 596 596 H H 596 9.113 9.113 9999.610 -9990.500 25953 8109 1 20 . 1 1 597 597 SER N N 597 118.403 118.403 121.757 -3.354 25953 8110 1 20 . 1 1 597 597 SER HA H 597 4.798 4.798 4.244 0.554 25953 8111 1 20 . 1 1 597 597 SER C C 597 179.336 179.336 176.542 2.794 25953 8112 1 20 . 1 1 597 597 SER CA C 597 60.633 60.633 62.214 -1.581 25953 8113 1 20 . 1 1 597 597 SER CB C 597 62.965 62.965 63.428 -0.463 25953 8114 1 20 . 1 1 597 597 SER H H 597 8.110 8.110 9.054 -0.944 25953 8115 1 20 . 1 1 598 598 THR N N 598 111.927 111.927 115.351 -3.424 25953 8116 1 20 . 1 1 598 598 THR HA H 598 3.991 3.991 4.228 -0.237 25953 8117 1 20 . 1 1 598 598 THR C C 598 178.244 178.244 176.041 2.203 25953 8118 1 20 . 1 1 598 598 THR CA C 598 64.766 64.766 65.102 -0.336 25953 8119 1 20 . 1 1 598 598 THR CB C 598 67.467 67.467 68.348 -0.881 25953 8120 1 20 . 1 1 598 598 THR H H 598 9.120 9.120 8.504 0.616 25953 8121 1 20 . 1 1 599 599 N N 599 117.596 117.596 9999.910 -9882.310 25953 8122 1 20 . 1 1 599 599 HA H 599 4.055 4.055 9999.100 -9995.040 25953 8123 1 20 . 1 1 599 599 C C 599 177.266 177.266 10001.200 -9823.930 25953 8124 1 20 . 1 1 599 599 CA C 599 63.602 63.602 10002.200 -9938.600 25953 8125 1 20 . 1 1 599 599 CB C 599 30.014 30.014 9997.880 -9967.870 25953 8126 1 20 . 1 1 599 599 H H 599 6.935 6.935 9998.530 -9991.600 25953 8127 1 20 . 1 1 600 600 TYR N N 600 119.532 119.532 121.783 -2.251 25953 8128 1 20 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.022 -0.425 25953 8129 1 20 . 1 1 600 600 TYR C C 600 177.533 177.533 176.911 0.622 25953 8130 1 20 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.402 0.732 25953 8131 1 20 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.106 1.315 25953 8132 1 20 . 1 1 600 600 TYR H H 600 8.396 8.396 8.879 -0.483 25953 8133 1 20 . 1 1 601 601 N N 601 117.457 117.457 9998.180 -9880.720 25953 8134 1 20 . 1 1 601 601 HA H 601 4.126 4.126 9998.610 -9994.480 25953 8135 1 20 . 1 1 601 601 CA C 601 60.119 60.119 10002.000 -9941.880 25953 8136 1 20 . 1 1 601 601 CB C 601 29.903 29.903 9999.200 -9969.300 25953 8137 1 20 . 1 1 601 601 H H 601 8.417 8.417 9999.300 -9990.880 25953 8138 1 20 . 1 1 602 602 GLU N N 602 118.228 118.228 117.908 0.320 25953 8139 1 20 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.085 -0.004 25953 8140 1 20 . 1 1 602 602 GLU C C 602 177.912 177.912 177.647 0.265 25953 8141 1 20 . 1 1 602 602 GLU CA C 602 58.160 58.160 57.836 0.324 25953 8142 1 20 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.709 0.024 25953 8143 1 20 . 1 1 602 602 GLU H H 602 8.094 8.094 7.913 0.181 25953 8144 1 20 . 1 1 603 603 THR N N 603 111.252 111.252 112.248 -0.996 25953 8145 1 20 . 1 1 603 603 THR HA H 603 4.265 4.265 4.332 -0.067 25953 8146 1 20 . 1 1 603 603 THR C C 603 175.279 175.279 174.666 0.613 25953 8147 1 20 . 1 1 603 603 THR CA C 603 63.116 63.116 62.000 1.116 25953 8148 1 20 . 1 1 603 603 THR CB C 603 69.801 69.801 69.993 -0.191 25953 8149 1 20 . 1 1 603 603 THR H H 603 7.578 7.578 7.321 0.257 25953 8150 1 20 . 1 1 604 604 SER N N 604 117.291 117.291 116.155 1.136 25953 8151 1 20 . 1 1 604 604 SER HA H 604 4.221 4.221 3.188 1.033 25953 8152 1 20 . 1 1 604 604 SER C C 604 174.838 174.838 173.717 1.121 25953 8153 1 20 . 1 1 604 604 SER CA C 604 59.105 59.105 58.783 0.322 25953 8154 1 20 . 1 1 604 604 SER CB C 604 63.387 63.387 61.676 1.710 25953 8155 1 20 . 1 1 604 604 SER H H 604 7.849 7.849 7.908 -0.059 25953 8156 1 20 . 1 1 605 605 GLN N N 605 120.747 120.747 119.468 1.279 25953 8157 1 20 . 1 1 605 605 GLN C C 605 175.801 175.801 177.085 -1.284 25953 8158 1 20 . 1 1 605 605 GLN CA C 605 56.080 56.080 56.399 -0.319 25953 8159 1 20 . 1 1 605 605 GLN CB C 605 28.926 28.926 28.995 -0.069 25953 8160 1 20 . 1 1 605 605 GLN H H 605 7.971 7.971 7.774 0.197 25953 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 68 2679.004 726.9112597.671 25953 2 1 1 "Average Difference" HA 74 2597.921 675.3672525.724 25953 3 1 1 "Average Difference" C 68 2063.195 433.0872032.226 25953 4 1 1 "Average Difference" CA 71 2637.664 699.7942561.240 25953 5 1 1 "Average Difference" CB 67 2723.118 743.9902639.284 25953 6 1 1 "Average Difference" HN 68 2709.187 734.6212627.074 25953 7 1 2 "Average Difference" N 68 2679.120 726.6612597.864 25953 8 1 2 "Average Difference" HA 74 2597.923 675.3812525.722 25953 9 1 2 "Average Difference" C 68 2063.198 433.1622032.213 25953 10 1 2 "Average Difference" CA 71 2637.708 699.9712561.238 25953 11 1 2 "Average Difference" CB 67 2723.156 744.0642639.302 25953 12 1 2 "Average Difference" HN 68 2709.183 734.6222627.070 25953 13 1 3 "Average Difference" N 68 2678.976 726.4002597.787 25953 14 1 3 "Average Difference" HA 74 2597.909 675.3632525.712 25953 15 1 3 "Average Difference" C 68 2063.174 433.1612032.189 25953 16 1 3 "Average Difference" CA 71 2637.718 699.8522561.281 25953 17 1 3 "Average Difference" CB 67 2723.141 744.0302639.297 25953 18 1 3 "Average Difference" HN 68 2709.196 734.6192627.084 25953 19 1 4 "Average Difference" N 68 2679.141 726.5392597.920 25953 20 1 4 "Average Difference" HA 74 2597.908 675.3302525.721 25953 21 1 4 "Average Difference" C 68 2063.237 433.1962032.246 25953 22 1 4 "Average Difference" CA 71 2637.753 699.9952561.277 25953 23 1 4 "Average Difference" CB 67 2723.125 744.0922639.261 25953 24 1 4 "Average Difference" HN 68 2709.186 734.5912627.082 25953 25 1 5 "Average Difference" N 68 2678.985 726.8922597.657 25953 26 1 5 "Average Difference" HA 74 2597.903 675.3632525.706 25953 27 1 5 "Average Difference" C 68 2063.257 433.2002032.266 25953 28 1 5 "Average Difference" CA 71 2637.670 699.8862561.222 25953 29 1 5 "Average Difference" CB 67 2723.116 744.1152639.246 25953 30 1 5 "Average Difference" HN 68 2709.167 734.6002627.060 25953 31 1 6 "Average Difference" N 68 2679.043 726.9352597.705 25953 32 1 6 "Average Difference" HA 74 2597.909 675.3592525.714 25953 33 1 6 "Average Difference" C 68 2063.179 433.1852032.189 25953 34 1 6 "Average Difference" CA 71 2637.721 699.9232561.264 25953 35 1 6 "Average Difference" CB 67 2723.062 744.0472639.209 25953 36 1 6 "Average Difference" HN 68 2709.199 734.5782627.100 25953 37 1 7 "Average Difference" N 68 2679.128 726.5472597.904 25953 38 1 7 "Average Difference" HA 74 2597.915 675.3572525.720 25953 39 1 7 "Average Difference" C 68 2063.236 433.1552032.254 25953 40 1 7 "Average Difference" CA 71 2637.718 699.8612561.278 25953 41 1 7 "Average Difference" CB 67 2723.148 744.1222639.278 25953 42 1 7 "Average Difference" HN 68 2709.176 734.6102627.065 25953 43 1 8 "Average Difference" N 68 2679.011 726.6142597.763 25953 44 1 8 "Average Difference" HA 74 2597.917 675.3702525.719 25953 45 1 8 "Average Difference" C 68 2063.256 433.0972032.287 25953 46 1 8 "Average Difference" CA 71 2637.721 699.8322561.290 25953 47 1 8 "Average Difference" CB 67 2723.199 744.1412639.325 25953 48 1 8 "Average Difference" HN 68 2709.186 734.6172627.074 25953 49 1 9 "Average Difference" N 68 2679.075 726.4862597.866 25953 50 1 9 "Average Difference" HA 74 2597.926 675.3472525.734 25953 51 1 9 "Average Difference" C 68 2063.261 433.1622032.278 25953 52 1 9 "Average Difference" CA 71 2637.714 699.9082561.261 25953 53 1 9 "Average Difference" CB 67 2723.168 744.0272639.325 25953 54 1 9 "Average Difference" HN 68 2709.168 734.5962627.062 25953 55 1 10 "Average Difference" N 68 2679.068 726.9152597.738 25953 56 1 10 "Average Difference" HA 74 2597.911 675.3712525.713 25953 57 1 10 "Average Difference" C 68 2063.196 433.1952032.204 25953 58 1 10 "Average Difference" CA 71 2637.782 699.8732561.342 25953 59 1 10 "Average Difference" CB 67 2723.156 744.1052639.290 25953 60 1 10 "Average Difference" HN 68 2709.205 734.5942627.101 25953 61 1 11 "Average Difference" N 68 2679.188 726.7192597.919 25953 62 1 11 "Average Difference" HA 74 2597.903 675.3852525.700 25953 63 1 11 "Average Difference" C 68 2063.205 433.2152032.209 25953 64 1 11 "Average Difference" CA 71 2637.726 699.8742561.283 25953 65 1 11 "Average Difference" CB 67 2723.117 744.1892639.226 25953 66 1 11 "Average Difference" HN 68 2709.199 734.6652627.075 25953 67 1 12 "Average Difference" N 68 2679.040 726.5562597.810 25953 68 1 12 "Average Difference" HA 74 2597.913 675.3432525.721 25953 69 1 12 "Average Difference" C 68 2063.206 433.1742032.219 25953 70 1 12 "Average Difference" CA 71 2637.702 700.0212561.217 25953 71 1 12 "Average Difference" CB 67 2723.190 744.0362639.346 25953 72 1 12 "Average Difference" HN 68 2709.192 734.6052627.084 25953 73 1 13 "Average Difference" N 68 2678.985 726.8872597.659 25953 74 1 13 "Average Difference" HA 74 2597.912 675.3802525.711 25953 75 1 13 "Average Difference" C 68 2063.187 433.1162032.212 25953 76 1 13 "Average Difference" CA 71 2637.811 699.8822561.369 25953 77 1 13 "Average Difference" CB 67 2723.172 744.0832639.314 25953 78 1 13 "Average Difference" HN 68 2709.196 734.5872627.094 25953 79 1 14 "Average Difference" N 68 2678.993 726.5832597.753 25953 80 1 14 "Average Difference" HA 74 2597.926 675.3582525.731 25953 81 1 14 "Average Difference" C 68 2063.224 433.1202032.249 25953 82 1 14 "Average Difference" CA 71 2637.708 699.9142561.253 25953 83 1 14 "Average Difference" CB 67 2723.159 744.2132639.262 25953 84 1 14 "Average Difference" HN 68 2709.194 734.6092627.085 25953 85 1 15 "Average Difference" N 68 2679.096 726.8442597.787 25953 86 1 15 "Average Difference" HA 74 2597.905 675.3532525.710 25953 87 1 15 "Average Difference" C 68 2063.207 433.2012032.214 25953 88 1 15 "Average Difference" CA 71 2637.706 699.9152561.250 25953 89 1 15 "Average Difference" CB 67 2723.141 744.1002639.276 25953 90 1 15 "Average Difference" HN 68 2709.190 734.6392627.073 25953 91 1 16 "Average Difference" N 68 2679.053 726.7562597.766 25953 92 1 16 "Average Difference" HA 74 2597.913 675.3592525.717 25953 93 1 16 "Average Difference" C 68 2063.184 433.2302032.184 25953 94 1 16 "Average Difference" CA 71 2637.666 699.9752561.192 25953 95 1 16 "Average Difference" CB 67 2723.190 744.0382639.345 25953 96 1 16 "Average Difference" HN 68 2709.146 734.5792627.043 25953 97 1 17 "Average Difference" N 68 2678.940 726.4142597.745 25953 98 1 17 "Average Difference" HA 74 2597.929 675.3782525.729 25953 99 1 17 "Average Difference" C 68 2063.192 433.1342032.214 25953 100 1 17 "Average Difference" CA 71 2637.700 699.8792561.255 25953 101 1 17 "Average Difference" CB 67 2723.173 744.1372639.299 25953 102 1 17 "Average Difference" HN 68 2709.156 734.6102627.045 25953 103 1 18 "Average Difference" N 68 2679.042 727.0142597.682 25953 104 1 18 "Average Difference" HA 74 2597.899 675.3582525.703 25953 105 1 18 "Average Difference" C 68 2063.249 433.1302032.273 25953 106 1 18 "Average Difference" CA 71 2637.708 699.8602561.268 25953 107 1 18 "Average Difference" CB 67 2723.138 744.1572639.257 25953 108 1 18 "Average Difference" HN 68 2709.188 734.6052627.079 25953 109 1 19 "Average Difference" N 68 2679.046 726.7412597.763 25953 110 1 19 "Average Difference" HA 74 2597.911 675.3322525.723 25953 111 1 19 "Average Difference" C 68 2063.230 433.1642032.246 25953 112 1 19 "Average Difference" CA 71 2637.743 699.9652561.276 25953 113 1 19 "Average Difference" CB 67 2723.184 744.0922639.323 25953 114 1 19 "Average Difference" HN 68 2709.204 734.6032627.098 25953 115 1 20 "Average Difference" N 68 2679.029 726.5612597.797 25953 116 1 20 "Average Difference" HA 74 2597.912 675.3692525.713 25953 117 1 20 "Average Difference" C 68 2063.262 433.1492032.282 25953 118 1 20 "Average Difference" CA 71 2637.669 699.9492561.203 25953 119 1 20 "Average Difference" CB 67 2723.196 744.1402639.322 25953 120 1 20 "Average Difference" HN 68 2709.174 734.6232627.059 25953 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 25953 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 535 535 SER HA H 535 4.465 4.465 4.513 -0.048 25953 2 1 . 1 1 535 535 SER C C 535 174.718 174.718 174.194 0.524 25953 3 1 . 1 1 535 535 SER CA C 535 58.323 58.323 57.976 0.347 25953 4 1 . 1 1 535 535 SER CB C 535 63.845 63.845 64.339 -0.494 25953 5 1 . 1 1 536 536 GLU N N 536 122.899 122.899 121.945 0.954 25953 6 1 . 1 1 536 536 GLU HA H 536 4.201 4.201 4.256 -0.055 25953 7 1 . 1 1 536 536 GLU C C 536 176.241 176.241 175.896 0.345 25953 8 1 . 1 1 536 536 GLU CA C 536 57.077 57.077 56.474 0.603 25953 9 1 . 1 1 536 536 GLU CB C 536 29.832 29.832 29.858 -0.025 25953 10 1 . 1 1 536 536 GLU H H 536 8.638 8.638 8.390 0.248 25953 11 1 . 1 1 537 537 PHE N N 537 120.390 120.390 120.630 -0.240 25953 12 1 . 1 1 537 537 PHE HA H 537 4.641 4.641 4.653 -0.012 25953 13 1 . 1 1 537 537 PHE C C 537 176.005 176.005 175.350 0.655 25953 14 1 . 1 1 537 537 PHE CA C 537 57.804 57.804 57.882 -0.078 25953 15 1 . 1 1 537 537 PHE CB C 537 39.450 39.450 39.592 -0.142 25953 16 1 . 1 1 537 537 PHE H H 537 8.266 8.266 8.028 0.238 25953 17 1 . 1 1 538 538 SER N N 538 117.148 117.148 116.784 0.364 25953 18 1 . 1 1 538 538 SER HA H 538 4.399 4.399 4.507 -0.108 25953 19 1 . 1 1 538 538 SER C C 538 174.167 174.167 173.553 0.614 25953 20 1 . 1 1 538 538 SER CA C 538 58.437 58.437 57.710 0.727 25953 21 1 . 1 1 538 538 SER CB C 538 63.956 63.956 64.378 -0.422 25953 22 1 . 1 1 538 538 SER H H 538 8.194 8.194 8.006 0.188 25953 23 1 . 1 1 539 539 ASP N N 539 122.404 122.404 122.151 0.253 25953 24 1 . 1 1 539 539 ASP HA H 539 4.586 4.586 4.689 -0.103 25953 25 1 . 1 1 539 539 ASP C C 539 176.496 176.496 176.081 0.415 25953 26 1 . 1 1 539 539 ASP CA C 539 54.471 54.471 54.456 0.015 25953 27 1 . 1 1 539 539 ASP CB C 539 41.021 41.021 40.999 0.022 25953 28 1 . 1 1 539 539 ASP H H 539 8.333 8.333 8.513 -0.180 25953 29 1 . 1 1 540 540 ARG N N 540 121.337 121.337 122.013 -0.676 25953 30 1 . 1 1 540 540 ARG HA H 540 4.363 4.363 4.401 -0.038 25953 31 1 . 1 1 540 540 ARG C C 540 176.889 176.889 175.965 0.924 25953 32 1 . 1 1 540 540 ARG CA C 540 56.406 56.406 55.965 0.441 25953 33 1 . 1 1 540 540 ARG CB C 540 30.365 30.365 30.635 -0.270 25953 34 1 . 1 1 540 540 ARG H H 540 8.293 8.293 8.262 0.031 25953 35 1 . 1 1 541 541 SER N N 541 116.606 116.606 116.500 0.106 25953 36 1 . 1 1 541 541 SER HA H 541 4.319 4.319 4.529 -0.210 25953 37 1 . 1 1 541 541 SER C C 541 175.060 175.060 174.961 0.099 25953 38 1 . 1 1 541 541 SER CA C 541 59.655 59.655 57.784 1.871 25953 39 1 . 1 1 541 541 SER CB C 541 63.417 63.417 64.219 -0.802 25953 40 1 . 1 1 541 541 SER H H 541 8.369 8.369 8.198 0.171 25953 41 1 . 1 1 542 542 ASN N N 542 120.759 120.759 122.423 -1.664 25953 42 1 . 1 1 542 542 ASN HA H 542 4.700 4.700 4.650 0.050 25953 43 1 . 1 1 542 542 ASN C C 542 175.903 175.903 176.351 -0.448 25953 44 1 . 1 1 542 542 ASN CA C 542 53.788 53.788 54.304 -0.516 25953 45 1 . 1 1 542 542 ASN CB C 542 38.728 38.728 38.619 0.109 25953 46 1 . 1 1 542 542 ASN H H 542 8.451 8.451 8.773 -0.322 25953 47 1 . 1 1 543 543 GLU N N 543 120.886 120.886 120.994 -0.108 25953 48 1 . 1 1 543 543 GLU HA H 543 3.991 3.991 4.089 -0.098 25953 49 1 . 1 1 543 543 GLU C C 543 177.658 177.658 177.931 -0.273 25953 50 1 . 1 1 543 543 GLU CA C 543 58.789 58.789 58.757 0.032 25953 51 1 . 1 1 543 543 GLU CB C 543 29.754 29.754 29.453 0.301 25953 52 1 . 1 1 543 543 GLU H H 543 8.257 8.257 8.220 0.037 25953 53 1 . 1 1 544 544 LEU N N 544 119.978 119.978 118.380 1.598 25953 54 1 . 1 1 544 544 LEU HA H 544 4.087 4.087 4.197 -0.110 25953 55 1 . 1 1 544 544 LEU C C 544 179.340 179.340 178.815 0.526 25953 56 1 . 1 1 544 544 LEU CA C 544 57.198 57.198 56.760 0.438 25953 57 1 . 1 1 544 544 LEU CB C 544 41.611 41.611 41.686 -0.075 25953 58 1 . 1 1 544 544 LEU H H 544 8.104 8.104 7.823 0.281 25953 59 1 . 1 1 545 545 GLU N N 545 120.432 120.432 120.133 0.299 25953 60 1 . 1 1 545 545 GLU HA H 545 4.060 4.060 4.115 -0.055 25953 61 1 . 1 1 545 545 GLU C C 545 178.371 178.371 178.878 -0.507 25953 62 1 . 1 1 545 545 GLU CA C 545 58.243 58.243 58.974 -0.731 25953 63 1 . 1 1 545 545 GLU CB C 545 29.565 29.565 29.828 -0.263 25953 64 1 . 1 1 545 545 GLU H H 545 7.995 7.995 7.740 0.255 25953 65 1 . 1 1 546 546 ILE N N 546 119.751 119.751 118.732 1.020 25953 66 1 . 1 1 546 546 ILE HA H 546 3.624 3.624 3.794 -0.170 25953 67 1 . 1 1 546 546 ILE C C 546 178.857 178.857 178.188 0.669 25953 68 1 . 1 1 546 546 ILE CA C 546 63.839 63.839 63.969 -0.130 25953 69 1 . 1 1 546 546 ILE CB C 546 37.654 37.654 37.216 0.438 25953 70 1 . 1 1 546 546 ILE H H 546 7.828 7.828 7.719 0.109 25953 71 1 . 1 1 547 547 ARG N N 547 120.304 120.304 119.039 1.265 25953 72 1 . 1 1 547 547 ARG HA H 547 4.357 4.357 4.273 0.084 25953 73 1 . 1 1 547 547 ARG C C 547 176.842 176.842 178.190 -1.348 25953 74 1 . 1 1 547 547 ARG CA C 547 57.875 57.875 58.640 -0.765 25953 75 1 . 1 1 547 547 ARG CB C 547 30.460 30.460 30.012 0.448 25953 76 1 . 1 1 547 547 ARG H H 547 8.313 8.313 7.898 0.415 25953 77 1 . 1 1 548 548 GLY N N 548 104.777 104.777 105.511 -0.734 25953 78 1 . 1 1 548 548 GLY C C 548 175.105 175.105 174.724 0.381 25953 79 1 . 1 1 548 548 GLY CA C 548 45.460 45.460 44.937 0.523 25953 80 1 . 1 1 548 548 GLY H H 548 7.823 7.823 7.641 0.183 25953 81 1 . 1 1 549 549 LYS N N 549 122.134 122.134 121.861 0.273 25953 82 1 . 1 1 549 549 LYS HA H 549 4.377 4.377 4.409 -0.032 25953 83 1 . 1 1 549 549 LYS C C 549 175.156 175.156 175.347 -0.191 25953 84 1 . 1 1 549 549 LYS CA C 549 57.373 57.373 56.345 1.028 25953 85 1 . 1 1 549 549 LYS CB C 549 32.147 32.147 32.897 -0.750 25953 86 1 . 1 1 549 549 LYS H H 549 7.257 7.257 7.481 -0.224 25953 87 1 . 1 1 550 550 TYR N N 550 117.482 117.482 117.595 -0.113 25953 88 1 . 1 1 550 550 TYR HA H 550 5.758 5.758 5.736 0.022 25953 89 1 . 1 1 550 550 TYR C C 550 174.650 174.650 174.056 0.594 25953 90 1 . 1 1 550 550 TYR CA C 550 56.030 56.030 55.726 0.304 25953 91 1 . 1 1 550 550 TYR CB C 550 42.227 42.227 41.830 0.397 25953 92 1 . 1 1 550 550 TYR H H 550 8.108 8.108 8.086 0.022 25953 93 1 . 1 1 551 551 VAL N N 551 117.964 117.964 116.306 1.658 25953 94 1 . 1 1 551 551 VAL HA H 551 4.459 4.459 4.400 0.059 25953 95 1 . 1 1 551 551 VAL C C 551 174.974 174.974 174.339 0.635 25953 96 1 . 1 1 551 551 VAL CA C 551 60.038 60.038 61.248 -1.210 25953 97 1 . 1 1 551 551 VAL CB C 551 36.793 36.793 36.167 0.626 25953 98 1 . 1 1 551 551 VAL H H 551 8.549 8.549 8.453 0.096 25953 99 1 . 1 1 552 552 VAL N N 552 126.679 126.679 125.672 1.007 25953 100 1 . 1 1 552 552 VAL HA H 552 4.159 4.159 4.325 -0.166 25953 101 1 . 1 1 552 552 VAL C C 552 175.545 175.545 175.106 0.439 25953 102 1 . 1 1 552 552 VAL CA C 552 63.152 63.152 62.426 0.726 25953 103 1 . 1 1 552 552 VAL CB C 552 31.958 31.958 32.520 -0.562 25953 104 1 . 1 1 552 552 VAL H H 552 8.642 8.642 8.402 0.240 25953 105 1 . 1 1 553 553 VAL N N 553 129.744 129.744 128.609 1.135 25953 106 1 . 1 1 553 553 VAL HA H 553 2.459 2.459 4.193 -1.734 25953 107 1 . 1 1 553 553 VAL CA C 553 61.168 61.168 58.105 3.063 25953 108 1 . 1 1 553 553 VAL CB C 553 31.384 31.384 33.778 -2.394 25953 109 1 . 1 1 553 553 VAL H H 553 8.341 8.341 8.370 -0.029 25953 110 1 . 1 1 554 554 PRO HA H 554 4.388 4.388 4.601 -0.213 25953 111 1 . 1 1 554 554 PRO C C 554 178.374 178.374 177.341 1.033 25953 112 1 . 1 1 554 554 PRO CA C 554 62.576 62.576 62.476 0.100 25953 113 1 . 1 1 554 554 PRO CB C 554 32.755 32.755 32.537 0.218 25953 114 1 . 1 1 555 555 GLU N N 555 122.440 122.440 122.404 0.037 25953 115 1 . 1 1 555 555 GLU HA H 555 4.054 4.054 3.899 0.155 25953 116 1 . 1 1 555 555 GLU C C 555 176.757 176.757 177.368 -0.611 25953 117 1 . 1 1 555 555 GLU CA C 555 58.501 58.501 59.180 -0.679 25953 118 1 . 1 1 555 555 GLU CB C 555 29.413 29.413 28.968 0.446 25953 119 1 . 1 1 555 555 GLU H H 555 8.904 8.904 8.839 0.065 25953 120 1 . 1 1 556 556 THR N N 556 104.703 104.703 110.196 -5.493 25953 121 1 . 1 1 556 556 THR HA H 556 4.152 4.152 4.155 -0.003 25953 122 1 . 1 1 556 556 THR C C 556 175.161 175.161 175.415 -0.254 25953 123 1 . 1 1 556 556 THR CA C 556 61.379 61.379 63.460 -2.081 25953 124 1 . 1 1 556 556 THR CB C 556 68.976 68.976 68.561 0.415 25953 125 1 . 1 1 556 556 THR H H 556 7.160 7.160 7.918 -0.758 25953 126 1 . 1 1 557 557 SER N N 557 116.705 116.705 117.537 -0.832 25953 127 1 . 1 1 557 557 SER HA H 557 4.529 4.529 4.325 0.204 25953 128 1 . 1 1 557 557 SER C C 557 175.325 175.325 174.800 0.525 25953 129 1 . 1 1 557 557 SER CA C 557 58.036 58.036 58.600 -0.564 25953 130 1 . 1 1 557 557 SER CB C 557 63.214 63.214 63.092 0.122 25953 131 1 . 1 1 557 557 SER H H 557 7.405 7.405 7.558 -0.153 25953 132 1 . 1 1 558 558 GLN N N 558 127.356 127.356 123.756 3.600 25953 133 1 . 1 1 558 558 GLN HA H 558 4.169 4.169 4.026 0.143 25953 134 1 . 1 1 558 558 GLN C C 558 176.491 176.491 175.963 0.528 25953 135 1 . 1 1 558 558 GLN CA C 558 57.594 57.594 58.008 -0.414 25953 136 1 . 1 1 558 558 GLN CB C 558 28.773 28.773 28.013 0.760 25953 137 1 . 1 1 558 558 GLN H H 558 8.915 8.915 8.228 0.687 25953 138 1 . 1 1 559 559 ASP N N 559 116.840 116.840 118.693 -1.853 25953 139 1 . 1 1 559 559 ASP HA H 559 4.485 4.485 4.551 -0.066 25953 140 1 . 1 1 559 559 ASP C C 559 175.554 175.554 175.912 -0.358 25953 141 1 . 1 1 559 559 ASP CA C 559 53.203 53.203 54.247 -1.044 25953 142 1 . 1 1 559 559 ASP CB C 559 40.526 40.526 40.810 -0.284 25953 143 1 . 1 1 559 559 ASP H H 559 8.275 8.275 8.513 -0.238 25953 144 1 . 1 1 560 560 MET N N 560 112.866 112.866 114.778 -1.912 25953 145 1 . 1 1 560 560 MET HA H 560 3.899 3.899 3.715 0.184 25953 146 1 . 1 1 560 560 MET C C 560 175.044 175.044 174.313 0.731 25953 147 1 . 1 1 560 560 MET CA C 560 56.400 56.400 56.172 0.228 25953 148 1 . 1 1 560 560 MET CB C 560 30.933 30.933 29.880 1.053 25953 149 1 . 1 1 560 560 MET H H 560 7.935 7.935 7.638 0.297 25953 150 1 . 1 1 561 561 ALA N N 561 122.207 122.207 119.796 2.411 25953 151 1 . 1 1 561 561 ALA HA H 561 5.911 5.911 5.797 0.114 25953 152 1 . 1 1 561 561 ALA C C 561 176.577 176.577 175.731 0.846 25953 153 1 . 1 1 561 561 ALA CA C 561 50.977 50.977 51.485 -0.508 25953 154 1 . 1 1 561 561 ALA CB C 561 23.287 23.287 22.386 0.901 25953 155 1 . 1 1 561 561 ALA H H 561 7.910 7.910 7.684 0.226 25953 156 1 . 1 1 562 562 PHE N N 562 117.027 117.027 121.974 -4.947 25953 157 1 . 1 1 562 562 PHE HA H 562 4.636 4.636 4.722 -0.086 25953 158 1 . 1 1 562 562 PHE C C 562 170.988 170.988 173.400 -2.412 25953 159 1 . 1 1 562 562 PHE CA C 562 56.230 56.230 56.743 -0.513 25953 160 1 . 1 1 562 562 PHE CB C 562 41.046 41.046 43.498 -2.452 25953 161 1 . 1 1 562 562 PHE H H 562 8.075 8.075 8.474 -0.399 25953 162 1 . 1 1 563 563 LYS N N 563 120.420 120.420 125.581 -5.161 25953 163 1 . 1 1 563 563 LYS HA H 563 4.500 4.500 4.556 -0.056 25953 164 1 . 1 1 563 563 LYS C C 563 176.093 176.093 175.596 0.497 25953 165 1 . 1 1 563 563 LYS CA C 563 53.802 53.802 55.084 -1.282 25953 166 1 . 1 1 563 563 LYS CB C 563 33.679 33.679 32.740 0.939 25953 167 1 . 1 1 563 563 LYS H H 563 8.392 8.392 7.538 0.854 25953 168 1 . 1 1 564 564 N N 564 132.535 132.535 10007.980 -9875.445 25953 169 1 . 1 1 564 564 HA H 564 4.639 4.639 9999.065 -9994.425 25953 170 1 . 1 1 564 564 C C 564 175.820 175.820 9997.890 -9822.070 25953 171 1 . 1 1 564 564 CA C 564 57.545 57.545 9996.309 -9938.765 25953 172 1 . 1 1 564 564 CB C 564 30.650 30.650 9998.154 -9967.504 25953 173 1 . 1 1 564 564 H H 564 8.456 8.456 9999.360 -9990.900 25953 174 1 . 1 1 565 565 PRO HA H 565 4.380 4.380 4.342 0.038 25953 175 1 . 1 1 565 565 PRO C C 565 177.300 177.300 177.213 0.087 25953 176 1 . 1 1 565 565 PRO CA C 565 64.393 64.393 64.924 -0.531 25953 177 1 . 1 1 565 565 PRO CB C 565 33.005 33.005 31.846 1.158 25953 178 1 . 1 1 566 566 ILE N N 566 118.529 118.529 118.388 0.141 25953 179 1 . 1 1 566 566 ILE HA H 566 4.131 4.131 3.979 0.152 25953 180 1 . 1 1 566 566 ILE C C 566 176.361 176.361 177.410 -1.049 25953 181 1 . 1 1 566 566 ILE CA C 566 63.699 63.699 63.775 -0.076 25953 182 1 . 1 1 566 566 ILE CB C 566 38.797 38.797 38.485 0.312 25953 183 1 . 1 1 566 566 ILE H H 566 8.528 8.528 8.098 0.431 25953 184 1 . 1 1 567 567 N N 567 116.646 116.646 9994.163 -9877.513 25953 185 1 . 1 1 567 567 HA H 567 4.932 4.932 9999.365 -9994.435 25953 186 1 . 1 1 567 567 C C 567 176.175 176.175 9999.077 -9822.901 25953 187 1 . 1 1 567 567 CA C 567 58.801 58.801 9997.352 -9938.551 25953 188 1 . 1 1 567 567 CB C 567 31.243 31.243 10000.368 -9969.128 25953 189 1 . 1 1 567 567 H H 567 7.770 7.770 9998.659 -9990.889 25953 190 1 . 1 1 568 568 LYS N N 568 116.867 116.867 119.405 -2.538 25953 191 1 . 1 1 568 568 LYS HA H 568 4.015 4.015 4.002 0.013 25953 192 1 . 1 1 568 568 LYS C C 568 175.290 175.290 175.325 -0.035 25953 193 1 . 1 1 568 568 LYS CA C 568 57.874 57.874 57.541 0.333 25953 194 1 . 1 1 568 568 LYS CB C 568 28.635 28.635 29.801 -1.166 25953 195 1 . 1 1 568 568 LYS H H 568 8.038 8.038 8.187 -0.149 25953 196 1 . 1 1 569 569 GLU N N 569 120.683 120.683 118.272 2.411 25953 197 1 . 1 1 569 569 GLU HA H 569 4.472 4.472 4.650 -0.178 25953 198 1 . 1 1 569 569 GLU C C 569 175.851 175.851 175.805 0.046 25953 199 1 . 1 1 569 569 GLU CA C 569 56.201 56.201 54.743 1.458 25953 200 1 . 1 1 569 569 GLU CB C 569 31.343 31.343 32.683 -1.340 25953 201 1 . 1 1 569 569 GLU H H 569 8.380 8.380 7.712 0.668 25953 202 1 . 1 1 570 570 THR N N 570 118.082 118.082 118.684 -0.602 25953 203 1 . 1 1 570 570 THR HA H 570 4.378 4.378 4.801 -0.423 25953 204 1 . 1 1 570 570 THR C C 570 174.070 174.070 174.377 -0.307 25953 205 1 . 1 1 570 570 THR CA C 570 63.174 63.174 62.559 0.615 25953 206 1 . 1 1 570 570 THR CB C 570 69.853 69.853 69.512 0.341 25953 207 1 . 1 1 570 570 THR H H 570 8.565 8.565 8.549 0.017 25953 208 1 . 1 1 571 571 VAL N N 571 132.533 132.533 127.967 4.566 25953 209 1 . 1 1 571 571 VAL HA H 571 3.871 3.871 4.495 -0.624 25953 210 1 . 1 1 571 571 VAL C C 571 174.198 174.198 174.603 -0.405 25953 211 1 . 1 1 571 571 VAL CA C 571 62.070 62.070 60.829 1.241 25953 212 1 . 1 1 571 571 VAL CB C 571 31.930 31.930 33.627 -1.697 25953 213 1 . 1 1 571 571 VAL H H 571 8.740 8.740 8.923 -0.183 25953 214 1 . 1 1 572 572 THR N N 572 116.229 116.229 119.915 -3.686 25953 215 1 . 1 1 572 572 THR HA H 572 5.243 5.243 5.310 -0.067 25953 216 1 . 1 1 572 572 THR C C 572 175.803 175.803 174.943 0.860 25953 217 1 . 1 1 572 572 THR CA C 572 60.095 60.095 60.149 -0.054 25953 218 1 . 1 1 572 572 THR CB C 572 70.889 70.889 71.651 -0.762 25953 219 1 . 1 1 572 572 THR H H 572 8.089 8.089 8.242 -0.153 25953 220 1 . 1 1 573 573 GLY N N 573 110.544 110.544 111.030 -0.486 25953 221 1 . 1 1 573 573 GLY C C 573 172.769 172.769 173.968 -1.199 25953 222 1 . 1 1 573 573 GLY CA C 573 46.434 46.434 44.808 1.626 25953 223 1 . 1 1 573 573 GLY H H 573 8.871 8.871 8.413 0.458 25953 224 1 . 1 1 574 574 VAL N N 574 120.833 120.833 118.990 1.843 25953 225 1 . 1 1 574 574 VAL HA H 574 4.827 4.827 4.711 0.116 25953 226 1 . 1 1 574 574 VAL C C 574 173.472 173.472 174.064 -0.592 25953 227 1 . 1 1 574 574 VAL CA C 574 60.001 60.001 59.664 0.337 25953 228 1 . 1 1 574 574 VAL CB C 574 35.639 35.639 35.583 0.056 25953 229 1 . 1 1 574 574 VAL H H 574 9.473 9.473 8.819 0.654 25953 230 1 . 1 1 575 575 TYR N N 575 126.796 126.796 125.434 1.362 25953 231 1 . 1 1 575 575 TYR HA H 575 3.561 3.561 4.612 -1.051 25953 232 1 . 1 1 575 575 TYR C C 575 174.622 174.622 174.973 -0.351 25953 233 1 . 1 1 575 575 TYR CA C 575 58.232 58.232 58.057 0.175 25953 234 1 . 1 1 575 575 TYR CB C 575 37.264 37.264 38.768 -1.504 25953 235 1 . 1 1 575 575 TYR H H 575 8.410 8.410 8.797 -0.387 25953 236 1 . 1 1 576 576 ASP N N 576 130.548 130.548 127.731 2.818 25953 237 1 . 1 1 576 576 ASP HA H 576 4.430 4.430 4.528 -0.098 25953 238 1 . 1 1 576 576 ASP C C 576 174.399 174.399 175.666 -1.267 25953 239 1 . 1 1 576 576 ASP CA C 576 52.509 52.509 52.728 -0.219 25953 240 1 . 1 1 576 576 ASP CB C 576 42.012 42.012 42.267 -0.255 25953 241 1 . 1 1 576 576 ASP H H 576 8.228 8.228 8.344 -0.116 25953 242 1 . 1 1 577 577 GLU N N 577 125.178 125.178 125.147 0.031 25953 243 1 . 1 1 577 577 GLU HA H 577 3.579 3.579 4.064 -0.485 25953 244 1 . 1 1 577 577 GLU C C 577 178.103 178.103 177.186 0.917 25953 245 1 . 1 1 577 577 GLU CA C 577 58.707 58.707 57.680 1.027 25953 246 1 . 1 1 577 577 GLU CB C 577 29.510 29.510 29.318 0.192 25953 247 1 . 1 1 577 577 GLU H H 577 8.480 8.480 8.592 -0.112 25953 248 1 . 1 1 578 578 GLU N N 578 117.933 117.933 119.914 -1.981 25953 249 1 . 1 1 578 578 GLU HA H 578 3.969 3.969 4.214 -0.245 25953 250 1 . 1 1 578 578 GLU C C 578 177.632 177.632 177.941 -0.309 25953 251 1 . 1 1 578 578 GLU CA C 578 59.039 59.039 58.064 0.975 25953 252 1 . 1 1 578 578 GLU CB C 578 29.386 29.386 29.878 -0.492 25953 253 1 . 1 1 578 578 GLU H H 578 8.126 8.126 8.158 -0.032 25953 254 1 . 1 1 579 579 SER N N 579 111.483 111.483 113.046 -1.563 25953 255 1 . 1 1 579 579 SER HA H 579 4.343 4.343 4.462 -0.119 25953 256 1 . 1 1 579 579 SER C C 579 176.070 176.070 174.972 1.098 25953 257 1 . 1 1 579 579 SER CA C 579 58.557 58.557 58.564 -0.007 25953 258 1 . 1 1 579 579 SER CB C 579 64.809 64.809 64.544 0.265 25953 259 1 . 1 1 579 579 SER H H 579 7.510 7.510 8.349 -0.839 25953 260 1 . 1 1 580 580 GLY N N 580 113.307 113.307 109.649 3.658 25953 261 1 . 1 1 580 580 GLY C C 580 173.600 173.600 173.522 0.078 25953 262 1 . 1 1 580 580 GLY CA C 580 46.106 46.106 45.053 1.053 25953 263 1 . 1 1 580 580 GLY H H 580 8.196 8.196 7.841 0.355 25953 264 1 . 1 1 581 581 GLU N N 581 116.623 116.623 117.824 -1.201 25953 265 1 . 1 1 581 581 GLU HA H 581 4.705 4.705 4.611 0.094 25953 266 1 . 1 1 581 581 GLU C C 581 174.750 174.750 174.582 0.168 25953 267 1 . 1 1 581 581 GLU CA C 581 53.869 53.869 53.788 0.081 25953 268 1 . 1 1 581 581 GLU CB C 581 32.610 32.610 32.855 -0.245 25953 269 1 . 1 1 581 581 GLU H H 581 6.994 6.994 7.591 -0.597 25953 270 1 . 1 1 582 582 TRP N N 582 122.364 122.364 118.640 3.724 25953 271 1 . 1 1 582 582 TRP HA H 582 4.801 4.801 5.049 -0.248 25953 272 1 . 1 1 582 582 TRP C C 582 176.750 176.750 176.225 0.525 25953 273 1 . 1 1 582 582 TRP CA C 582 57.033 57.033 57.075 -0.043 25953 274 1 . 1 1 582 582 TRP CB C 582 28.857 28.857 30.904 -2.047 25953 275 1 . 1 1 582 582 TRP H H 582 8.841 8.841 8.572 0.269 25953 276 1 . 1 1 583 583 VAL N N 583 115.147 115.147 119.466 -4.319 25953 277 1 . 1 1 583 583 VAL HA H 583 5.116 5.116 4.975 0.141 25953 278 1 . 1 1 583 583 VAL C C 583 175.063 175.063 174.130 0.933 25953 279 1 . 1 1 583 583 VAL CA C 583 59.398 59.398 60.479 -1.081 25953 280 1 . 1 1 583 583 VAL CB C 583 36.769 36.769 36.885 -0.116 25953 281 1 . 1 1 583 583 VAL H H 583 9.440 9.440 9.338 0.103 25953 282 1 . 1 1 584 584 TRP N N 584 123.710 123.710 125.895 -2.185 25953 283 1 . 1 1 584 584 TRP HA H 584 5.250 5.250 5.152 0.098 25953 284 1 . 1 1 584 584 TRP C C 584 176.436 176.436 174.897 1.539 25953 285 1 . 1 1 584 584 TRP CA C 584 54.401 54.401 54.915 -0.514 25953 286 1 . 1 1 584 584 TRP CB C 584 28.443 28.443 30.762 -2.319 25953 287 1 . 1 1 584 584 TRP H H 584 9.295 9.295 9.215 0.080 25953 288 1 . 1 1 585 585 LYS N N 585 122.031 122.031 123.884 -1.853 25953 289 1 . 1 1 585 585 LYS HA H 585 4.563 4.563 4.688 -0.125 25953 290 1 . 1 1 585 585 LYS C C 585 178.886 178.886 177.175 1.711 25953 291 1 . 1 1 585 585 LYS CA C 585 56.313 56.313 55.485 0.828 25953 292 1 . 1 1 585 585 LYS CB C 585 33.433 33.433 34.243 -0.810 25953 293 1 . 1 1 585 585 LYS H H 585 8.689 8.689 8.663 0.026 25953 294 1 . 1 1 586 586 ASN N N 586 123.634 123.634 120.212 3.422 25953 295 1 . 1 1 586 586 ASN HA H 586 4.903 4.903 4.485 0.418 25953 296 1 . 1 1 586 586 ASN C C 586 176.043 176.043 174.007 2.036 25953 297 1 . 1 1 586 586 ASN CA C 586 54.702 54.702 54.444 0.258 25953 298 1 . 1 1 586 586 ASN CB C 586 37.052 37.052 37.478 -0.426 25953 299 1 . 1 1 586 586 ASN H H 586 8.830 8.830 9.017 -0.187 25953 300 1 . 1 1 587 587 THR N N 587 114.536 114.536 114.293 0.243 25953 301 1 . 1 1 587 587 THR HA H 587 5.482 5.482 5.206 0.276 25953 302 1 . 1 1 587 587 THR C C 587 171.882 171.882 173.361 -1.479 25953 303 1 . 1 1 587 587 THR CA C 587 63.252 63.252 61.983 1.269 25953 304 1 . 1 1 587 587 THR CB C 587 73.106 73.106 72.049 1.057 25953 305 1 . 1 1 587 587 THR H H 587 8.179 8.179 7.891 0.288 25953 306 1 . 1 1 588 588 ILE N N 588 120.751 120.751 121.587 -0.836 25953 307 1 . 1 1 588 588 ILE HA H 588 4.431 4.431 4.464 -0.033 25953 308 1 . 1 1 588 588 ILE C C 588 171.550 171.550 172.865 -1.315 25953 309 1 . 1 1 588 588 ILE CA C 588 58.960 58.960 59.512 -0.552 25953 310 1 . 1 1 588 588 ILE CB C 588 43.352 43.352 41.690 1.662 25953 311 1 . 1 1 588 588 ILE H H 588 8.984 8.984 9.019 -0.035 25953 312 1 . 1 1 589 589 GLU N N 589 125.535 125.535 128.364 -2.829 25953 313 1 . 1 1 589 589 GLU HA H 589 4.811 4.811 4.757 0.054 25953 314 1 . 1 1 589 589 GLU C C 589 175.587 175.587 174.579 1.008 25953 315 1 . 1 1 589 589 GLU CA C 589 54.161 54.161 54.159 0.001 25953 316 1 . 1 1 589 589 GLU CB C 589 31.623 31.623 31.516 0.107 25953 317 1 . 1 1 589 589 GLU H H 589 8.337 8.337 8.223 0.114 25953 318 1 . 1 1 590 590 VAL N N 590 126.684 126.684 125.445 1.239 25953 319 1 . 1 1 590 590 VAL HA H 590 3.987 3.987 4.317 -0.330 25953 320 1 . 1 1 590 590 VAL C C 590 176.078 176.078 175.684 0.394 25953 321 1 . 1 1 590 590 VAL CA C 590 61.574 61.574 60.919 0.655 25953 322 1 . 1 1 590 590 VAL CB C 590 33.828 33.828 34.327 -0.499 25953 323 1 . 1 1 590 590 VAL H H 590 9.013 9.013 8.942 0.071 25953 324 1 . 1 1 591 591 ASN N N 591 127.075 127.075 125.639 1.436 25953 325 1 . 1 1 591 591 ASN HA H 591 4.303 4.303 4.362 -0.059 25953 326 1 . 1 1 591 591 ASN C C 591 175.223 175.223 175.582 -0.359 25953 327 1 . 1 1 591 591 ASN CA C 591 54.048 54.048 54.429 -0.381 25953 328 1 . 1 1 591 591 ASN CB C 591 37.769 37.769 38.150 -0.381 25953 329 1 . 1 1 591 591 ASN H H 591 9.347 9.347 9.273 0.074 25953 330 1 . 1 1 592 592 GLY N N 592 104.628 104.628 104.344 0.284 25953 331 1 . 1 1 592 592 GLY C C 592 172.842 172.842 173.738 -0.896 25953 332 1 . 1 1 592 592 GLY CA C 592 45.281 45.281 45.162 0.119 25953 333 1 . 1 1 592 592 GLY H H 592 8.990 8.990 8.221 0.769 25953 334 1 . 1 1 593 593 LYS N N 593 120.387 120.387 120.542 -0.155 25953 335 1 . 1 1 593 593 LYS HA H 593 4.187 4.187 4.588 -0.401 25953 336 1 . 1 1 593 593 LYS C C 593 173.344 173.344 175.067 -1.723 25953 337 1 . 1 1 593 593 LYS CA C 593 54.139 54.139 55.065 -0.926 25953 338 1 . 1 1 593 593 LYS CB C 593 34.946 34.946 34.936 0.010 25953 339 1 . 1 1 593 593 LYS H H 593 7.485 7.485 7.917 -0.432 25953 340 1 . 1 1 594 594 TYR N N 594 119.730 119.730 119.759 -0.029 25953 341 1 . 1 1 594 594 TYR HA H 594 4.831 4.831 4.857 -0.026 25953 342 1 . 1 1 594 594 TYR C C 594 173.851 173.851 175.607 -1.756 25953 343 1 . 1 1 594 594 TYR CA C 594 56.928 56.928 57.636 -0.708 25953 344 1 . 1 1 594 594 TYR CB C 594 37.574 37.574 40.800 -3.226 25953 345 1 . 1 1 594 594 TYR H H 594 7.092 7.092 8.222 -1.130 25953 346 1 . 1 1 595 595 PHE N N 595 116.435 116.435 117.389 -0.954 25953 347 1 . 1 1 595 595 PHE HA H 595 5.038 5.038 4.775 0.263 25953 348 1 . 1 1 595 595 PHE C C 595 177.013 177.013 174.075 2.938 25953 349 1 . 1 1 595 595 PHE CA C 595 55.528 55.528 57.172 -1.643 25953 350 1 . 1 1 595 595 PHE CB C 595 45.398 45.398 44.247 1.151 25953 351 1 . 1 1 595 595 PHE H H 595 8.459 8.459 8.922 -0.463 25953 352 1 . 1 1 596 596 N N 596 118.187 118.187 10001.075 -9882.885 25953 353 1 . 1 1 596 596 HA H 596 6.064 6.064 9999.599 -9993.539 25953 354 1 . 1 1 596 596 CA C 596 58.668 58.668 9998.606 -9939.936 25953 355 1 . 1 1 596 596 CB C 596 32.486 32.486 10000.805 -9968.315 25953 356 1 . 1 1 596 596 H H 596 9.113 9.113 9999.764 -9990.654 25953 357 1 . 1 1 597 597 SER N N 597 118.403 118.403 121.048 -2.645 25953 358 1 . 1 1 597 597 SER HA H 597 4.798 4.798 4.264 0.534 25953 359 1 . 1 1 597 597 SER C C 597 179.336 179.336 176.611 2.725 25953 360 1 . 1 1 597 597 SER CA C 597 60.633 60.633 62.125 -1.492 25953 361 1 . 1 1 597 597 SER CB C 597 62.965 62.965 63.411 -0.446 25953 362 1 . 1 1 597 597 SER H H 597 8.110 8.110 8.995 -0.885 25953 363 1 . 1 1 598 598 THR N N 598 111.927 111.927 116.065 -4.138 25953 364 1 . 1 1 598 598 THR HA H 598 3.991 3.991 4.184 -0.193 25953 365 1 . 1 1 598 598 THR C C 598 178.244 178.244 176.011 2.233 25953 366 1 . 1 1 598 598 THR CA C 598 64.766 64.766 65.321 -0.555 25953 367 1 . 1 1 598 598 THR CB C 598 67.467 67.467 68.297 -0.830 25953 368 1 . 1 1 598 598 THR H H 598 9.120 9.120 8.446 0.674 25953 369 1 . 1 1 599 599 N N 599 117.596 117.596 10000.080 -9882.479 25953 370 1 . 1 1 599 599 HA H 599 4.055 4.055 9998.993 -9994.941 25953 371 1 . 1 1 599 599 C C 599 177.266 177.266 10000.920 -9823.650 25953 372 1 . 1 1 599 599 CA C 599 63.602 63.602 10002.505 -9938.905 25953 373 1 . 1 1 599 599 CB C 599 30.014 30.014 9997.662 -9967.651 25953 374 1 . 1 1 599 599 H H 599 6.935 6.935 9998.737 -9991.807 25953 375 1 . 1 1 600 600 TYR N N 600 119.532 119.532 120.985 -1.453 25953 376 1 . 1 1 600 600 TYR HA H 600 3.597 3.597 4.018 -0.421 25953 377 1 . 1 1 600 600 TYR C C 600 177.533 177.533 177.198 0.335 25953 378 1 . 1 1 600 600 TYR CA C 600 62.134 62.134 61.508 0.626 25953 379 1 . 1 1 600 600 TYR CB C 600 39.421 39.421 38.234 1.187 25953 380 1 . 1 1 600 600 TYR H H 600 8.396 8.396 8.814 -0.418 25953 381 1 . 1 1 601 601 N N 601 117.457 117.457 9998.307 -9880.847 25953 382 1 . 1 1 601 601 HA H 601 4.126 4.126 9998.654 -9994.524 25953 383 1 . 1 1 601 601 CA C 601 60.119 60.119 10002.325 -9942.205 25953 384 1 . 1 1 601 601 CB C 601 29.903 29.903 9999.177 -9969.278 25953 385 1 . 1 1 601 601 H H 601 8.417 8.417 9999.065 -9990.645 25953 386 1 . 1 1 602 602 GLU N N 602 118.228 118.228 117.620 0.609 25953 387 1 . 1 1 602 602 GLU HA H 602 4.081 4.081 4.136 -0.055 25953 388 1 . 1 1 602 602 GLU C C 602 177.912 177.912 177.756 0.156 25953 389 1 . 1 1 602 602 GLU CA C 602 58.160 58.160 58.147 0.013 25953 390 1 . 1 1 602 602 GLU CB C 602 29.733 29.733 29.884 -0.151 25953 391 1 . 1 1 602 602 GLU H H 602 8.094 8.094 7.955 0.139 25953 392 1 . 1 1 603 603 THR N N 603 111.252 111.252 113.814 -2.562 25953 393 1 . 1 1 603 603 THR HA H 603 4.265 4.265 4.231 0.034 25953 394 1 . 1 1 603 603 THR C C 603 175.279 175.279 174.462 0.817 25953 395 1 . 1 1 603 603 THR CA C 603 63.116 63.116 62.553 0.563 25953 396 1 . 1 1 603 603 THR CB C 603 69.801 69.801 69.090 0.711 25953 397 1 . 1 1 603 603 THR H H 603 7.578 7.578 7.539 0.039 25953 398 1 . 1 1 604 604 SER N N 604 117.291 117.291 116.198 1.093 25953 399 1 . 1 1 604 604 SER HA H 604 4.221 4.221 3.614 0.607 25953 400 1 . 1 1 604 604 SER C C 604 174.838 174.838 173.832 1.006 25953 401 1 . 1 1 604 604 SER CA C 604 59.105 59.105 58.752 0.353 25953 402 1 . 1 1 604 604 SER CB C 604 63.387 63.387 63.020 0.367 25953 403 1 . 1 1 604 604 SER H H 604 7.849 7.849 7.643 0.206 25953 404 1 . 1 1 605 605 GLN N N 605 120.747 120.747 122.198 -1.451 25953 405 1 . 1 1 605 605 GLN C C 605 175.801 175.801 175.313 0.488 25953 406 1 . 1 1 605 605 GLN CA C 605 56.080 56.080 55.835 0.245 25953 407 1 . 1 1 605 605 GLN CB C 605 28.926 28.926 29.605 -0.679 25953 408 1 . 1 1 605 605 GLN H H 605 7.971 7.971 8.117 -0.146 25953 stop_ save_