data_18909 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18909 _Entry.PDB_ID 2M2E 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 18909 _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 1 552 552 THR N N 552 120.945 120.945 119.324 1.621 18909 2 1 1 . 1 1 552 552 THR HA H 552 4.505 4.505 4.533 -0.028 18909 3 1 1 . 1 1 552 552 THR CA C 552 59.439 59.439 59.711 -0.272 18909 4 1 1 . 1 1 552 552 THR CB C 552 69.599 69.599 69.061 0.537 18909 5 1 1 . 1 1 552 552 THR H H 552 8.265 8.265 7.606 0.659 18909 6 1 1 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.231 0.254 18909 7 1 1 . 1 1 553 553 PRO C C 553 176.938 176.938 175.947 0.991 18909 8 1 1 . 1 1 553 553 PRO CA C 553 63.114 63.114 61.944 1.170 18909 9 1 1 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.405 -0.221 18909 10 1 1 . 1 1 554 554 TRP N N 554 124.095 124.095 119.573 4.522 18909 11 1 1 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.387 -0.046 18909 12 1 1 . 1 1 554 554 TRP C C 554 178.191 178.191 176.350 1.841 18909 13 1 1 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.637 0.847 18909 14 1 1 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.350 0.006 18909 15 1 1 . 1 1 554 554 TRP H H 554 8.989 8.989 8.329 0.660 18909 16 1 1 . 1 1 555 555 THR N N 555 115.804 115.804 116.508 -0.704 18909 17 1 1 . 1 1 555 555 THR HA H 555 4.653 4.653 4.461 0.192 18909 18 1 1 . 1 1 555 555 THR C C 555 176.011 176.011 175.710 0.301 18909 19 1 1 . 1 1 555 555 THR CA C 555 60.145 60.145 61.219 -1.074 18909 20 1 1 . 1 1 555 555 THR CB C 555 71.749 71.749 70.058 1.690 18909 21 1 1 . 1 1 555 555 THR H H 555 8.800 8.800 7.930 0.870 18909 22 1 1 . 1 1 556 556 THR N N 556 116.791 116.791 116.217 0.574 18909 23 1 1 . 1 1 556 556 THR HA H 556 3.934 3.934 3.968 -0.034 18909 24 1 1 . 1 1 556 556 THR C C 556 176.992 176.992 176.333 0.659 18909 25 1 1 . 1 1 556 556 THR CA C 556 66.329 66.329 66.921 -0.592 18909 26 1 1 . 1 1 556 556 THR CB C 556 68.616 68.616 68.442 0.174 18909 27 1 1 . 1 1 556 556 THR H H 556 8.866 8.866 8.569 0.297 18909 28 1 1 . 1 1 557 557 GLU N N 557 121.303 121.303 120.639 0.664 18909 29 1 1 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.170 -0.164 18909 30 1 1 . 1 1 557 557 GLU C C 557 179.310 179.310 178.782 0.528 18909 31 1 1 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.449 0.777 18909 32 1 1 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.602 0.552 18909 33 1 1 . 1 1 557 557 GLU H H 557 8.538 8.538 8.779 -0.241 18909 34 1 1 . 1 1 558 558 GLU N N 558 119.737 119.737 120.109 -0.372 18909 35 1 1 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.121 -0.206 18909 36 1 1 . 1 1 558 558 GLU C C 558 178.844 178.844 179.495 -0.651 18909 37 1 1 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.566 0.443 18909 38 1 1 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.146 2.288 18909 39 1 1 . 1 1 558 558 GLU H H 558 7.831 7.831 7.966 -0.135 18909 40 1 1 . 1 1 559 559 GLN N N 559 119.328 119.328 118.346 0.982 18909 41 1 1 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.296 -0.179 18909 42 1 1 . 1 1 559 559 GLN C C 559 178.155 178.155 177.977 0.178 18909 43 1 1 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.180 1.175 18909 44 1 1 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.791 -0.806 18909 45 1 1 . 1 1 559 559 GLN H H 559 8.608 8.608 8.442 0.166 18909 46 1 1 . 1 1 560 560 LYS N N 560 119.311 119.311 120.799 -1.488 18909 47 1 1 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.145 -0.040 18909 48 1 1 . 1 1 560 560 LYS C C 560 179.880 179.880 179.018 0.862 18909 49 1 1 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.328 0.409 18909 50 1 1 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.874 0.187 18909 51 1 1 . 1 1 560 560 LYS H H 560 8.000 8.000 7.759 0.241 18909 52 1 1 . 1 1 561 561 LEU N N 561 120.026 120.026 119.967 0.059 18909 53 1 1 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.072 0.054 18909 54 1 1 . 1 1 561 561 LEU C C 561 180.452 180.452 179.419 1.033 18909 55 1 1 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.501 0.819 18909 56 1 1 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.632 0.181 18909 57 1 1 . 1 1 561 561 LEU H H 561 7.814 7.814 8.123 -0.309 18909 58 1 1 . 1 1 562 562 LEU N N 562 122.427 122.427 120.378 2.049 18909 59 1 1 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.058 -0.062 18909 60 1 1 . 1 1 562 562 LEU C C 562 177.428 177.428 178.390 -0.962 18909 61 1 1 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.120 0.309 18909 62 1 1 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.615 0.252 18909 63 1 1 . 1 1 562 562 LEU H H 562 8.374 8.374 7.525 0.849 18909 64 1 1 . 1 1 563 563 GLU N N 563 117.574 117.574 117.868 -0.294 18909 65 1 1 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.849 -0.010 18909 66 1 1 . 1 1 563 563 GLU C C 563 179.907 179.907 179.444 0.463 18909 67 1 1 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.587 0.559 18909 68 1 1 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.206 0.200 18909 69 1 1 . 1 1 563 563 GLU H H 563 8.541 8.541 8.296 0.245 18909 70 1 1 . 1 1 564 564 GLN N N 564 117.659 117.659 116.656 1.003 18909 71 1 1 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.116 -0.113 18909 72 1 1 . 1 1 564 564 GLN C C 564 178.490 178.490 178.102 0.388 18909 73 1 1 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.257 0.118 18909 74 1 1 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.381 0.126 18909 75 1 1 . 1 1 564 564 GLN H H 564 8.098 8.098 8.075 0.023 18909 76 1 1 . 1 1 565 565 ALA N N 565 125.117 125.117 122.840 2.277 18909 77 1 1 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.865 0.228 18909 78 1 1 . 1 1 565 565 ALA C C 565 178.681 178.681 179.741 -1.060 18909 79 1 1 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.469 0.855 18909 80 1 1 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.241 1.071 18909 81 1 1 . 1 1 565 565 ALA H H 565 8.270 8.270 7.529 0.741 18909 82 1 1 . 1 1 566 566 LEU N N 566 117.217 117.217 117.729 -0.512 18909 83 1 1 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.747 -0.166 18909 84 1 1 . 1 1 566 566 LEU C C 566 178.409 178.409 179.182 -0.773 18909 85 1 1 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.123 0.434 18909 86 1 1 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.518 0.526 18909 87 1 1 . 1 1 566 566 LEU H H 566 8.170 8.170 8.291 -0.121 18909 88 1 1 . 1 1 567 567 LYS N N 567 115.429 115.429 117.773 -2.344 18909 89 1 1 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.203 -0.275 18909 90 1 1 . 1 1 567 567 LYS C C 567 177.809 177.809 177.792 0.017 18909 91 1 1 . 1 1 567 567 LYS CA C 567 57.666 57.666 57.982 -0.316 18909 92 1 1 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.601 0.113 18909 93 1 1 . 1 1 567 567 LYS H H 567 6.960 6.960 7.594 -0.634 18909 94 1 1 . 1 1 568 568 THR N N 568 117.847 117.847 114.470 3.377 18909 95 1 1 . 1 1 568 568 THR HA H 568 3.468 3.468 3.970 -0.502 18909 96 1 1 . 1 1 568 568 THR C C 568 173.447 173.447 174.266 -0.819 18909 97 1 1 . 1 1 568 568 THR CA C 568 65.620 65.620 64.691 0.929 18909 98 1 1 . 1 1 568 568 THR CB C 568 69.080 69.080 68.983 0.097 18909 99 1 1 . 1 1 568 568 THR H H 568 8.024 8.024 7.629 0.395 18909 100 1 1 . 1 1 569 569 TYR N N 569 118.409 118.409 119.667 -1.258 18909 101 1 1 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.884 0.016 18909 102 1 1 . 1 1 569 569 TYR CA C 569 53.800 53.800 53.779 0.021 18909 103 1 1 . 1 1 569 569 TYR CB C 569 37.265 37.265 38.504 -1.239 18909 104 1 1 . 1 1 569 569 TYR H H 569 7.690 7.690 7.414 0.276 18909 105 1 1 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.432 0.075 18909 106 1 1 . 1 1 570 570 PRO C C 570 177.728 177.728 178.016 -0.288 18909 107 1 1 . 1 1 570 570 PRO CA C 570 62.297 62.297 61.608 0.689 18909 108 1 1 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.151 0.421 18909 109 1 1 . 1 1 571 571 VAL N N 571 120.230 120.230 120.047 0.183 18909 110 1 1 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.597 -0.130 18909 111 1 1 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.174 1.040 18909 112 1 1 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.991 0.044 18909 113 1 1 . 1 1 571 571 VAL H H 571 8.601 8.601 8.708 -0.107 18909 114 1 1 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.603 -0.126 18909 115 1 1 . 1 1 572 572 ASN C C 572 175.194 175.194 175.235 -0.041 18909 116 1 1 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.613 -0.433 18909 117 1 1 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.350 -1.386 18909 118 1 1 . 1 1 573 573 THR N N 573 119.345 119.345 117.268 2.077 18909 119 1 1 . 1 1 573 573 THR HA H 573 4.255 4.255 4.687 -0.432 18909 120 1 1 . 1 1 573 573 THR CA C 573 62.108 62.108 60.744 1.364 18909 121 1 1 . 1 1 573 573 THR CB C 573 70.852 70.852 69.285 1.567 18909 122 1 1 . 1 1 573 573 THR H H 573 7.721 7.721 7.518 0.203 18909 123 1 1 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.397 -0.111 18909 124 1 1 . 1 1 574 574 PRO C C 574 176.938 176.938 177.160 -0.222 18909 125 1 1 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.628 -1.241 18909 126 1 1 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.050 -0.330 18909 127 1 1 . 1 1 575 575 GLU N N 575 118.953 118.953 117.853 1.100 18909 128 1 1 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.493 -0.449 18909 129 1 1 . 1 1 575 575 GLU C C 575 176.475 176.475 177.002 -0.527 18909 130 1 1 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.377 1.581 18909 131 1 1 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.439 -1.118 18909 132 1 1 . 1 1 575 575 GLU H H 575 9.066 9.066 8.518 0.548 18909 133 1 1 . 1 1 576 576 ARG N N 576 116.246 116.246 121.543 -5.297 18909 134 1 1 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.813 -0.860 18909 135 1 1 . 1 1 576 576 ARG C C 576 177.319 177.319 177.271 0.048 18909 136 1 1 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.455 0.507 18909 137 1 1 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.139 0.968 18909 138 1 1 . 1 1 576 576 ARG H H 576 7.048 7.048 7.428 -0.380 18909 139 1 1 . 1 1 577 577 TRP N N 577 114.935 114.935 117.777 -2.842 18909 140 1 1 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.517 -0.451 18909 141 1 1 . 1 1 577 577 TRP C C 577 177.782 177.782 178.440 -0.658 18909 142 1 1 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.075 1.615 18909 143 1 1 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.841 -0.445 18909 144 1 1 . 1 1 577 577 TRP H H 577 8.238 8.238 8.232 0.006 18909 145 1 1 . 1 1 578 578 LYS N N 578 122.682 122.682 119.229 3.453 18909 146 1 1 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.050 -0.074 18909 147 1 1 . 1 1 578 578 LYS C C 578 178.872 178.872 178.798 0.074 18909 148 1 1 . 1 1 578 578 LYS CA C 578 59.791 59.791 58.827 0.965 18909 149 1 1 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.401 1.313 18909 150 1 1 . 1 1 578 578 LYS H H 578 7.686 7.686 8.310 -0.624 18909 151 1 1 . 1 1 579 579 LYS N N 579 118.732 118.732 119.585 -0.853 18909 152 1 1 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.257 -0.656 18909 153 1 1 . 1 1 579 579 LYS C C 579 179.362 179.362 179.152 0.210 18909 154 1 1 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.517 0.075 18909 155 1 1 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.821 -2.252 18909 156 1 1 . 1 1 579 579 LYS H H 579 7.375 7.375 7.315 0.060 18909 157 1 1 . 1 1 580 580 ILE N N 580 120.281 120.281 119.440 0.841 18909 158 1 1 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.881 -0.470 18909 159 1 1 . 1 1 580 580 ILE C C 580 176.747 176.747 177.584 -0.837 18909 160 1 1 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.662 1.230 18909 161 1 1 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.773 -0.156 18909 162 1 1 . 1 1 580 580 ILE H H 580 8.206 8.206 7.912 0.294 18909 163 1 1 . 1 1 581 581 ALA N N 581 119.004 119.004 122.778 -3.774 18909 164 1 1 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.122 0.087 18909 165 1 1 . 1 1 581 581 ALA C C 581 181.487 181.487 178.811 2.676 18909 166 1 1 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.029 0.322 18909 167 1 1 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.435 -1.248 18909 168 1 1 . 1 1 581 581 ALA H H 581 7.944 7.944 7.836 0.108 18909 169 1 1 . 1 1 582 582 GLU N N 582 117.557 117.557 117.433 0.124 18909 170 1 1 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.152 -0.286 18909 171 1 1 . 1 1 582 582 GLU C C 582 177.659 177.659 178.303 -0.644 18909 172 1 1 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.171 0.442 18909 173 1 1 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.705 -0.482 18909 174 1 1 . 1 1 582 582 GLU H H 582 7.722 7.722 7.734 -0.012 18909 175 1 1 . 1 1 583 583 ALA N N 583 120.247 120.247 120.981 -0.734 18909 176 1 1 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.314 0.016 18909 177 1 1 . 1 1 583 583 ALA C C 583 176.311 176.311 177.770 -1.459 18909 178 1 1 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.906 -1.373 18909 179 1 1 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.282 -0.868 18909 180 1 1 . 1 1 583 583 ALA H H 583 7.486 7.486 7.561 -0.075 18909 181 1 1 . 1 1 584 584 VAL N N 584 120.230 120.230 118.964 1.266 18909 182 1 1 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.647 -0.225 18909 183 1 1 . 1 1 584 584 VAL CA C 584 59.330 59.330 57.887 1.443 18909 184 1 1 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.418 -0.737 18909 185 1 1 . 1 1 584 584 VAL H H 584 7.486 7.486 7.901 -0.415 18909 186 1 1 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.805 -0.570 18909 187 1 1 . 1 1 585 585 PRO C C 585 178.000 178.000 177.989 0.011 18909 188 1 1 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.584 1.511 18909 189 1 1 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.908 -1.242 18909 190 1 1 . 1 1 586 586 GLY N N 586 111.258 111.258 108.366 2.892 18909 191 1 1 . 1 1 586 586 GLY C C 586 174.077 174.077 174.077 0.000 18909 192 1 1 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.444 -0.226 18909 193 1 1 . 1 1 586 586 GLY H H 586 8.470 8.470 8.611 -0.141 18909 194 1 1 . 1 1 587 587 ARG N N 587 118.885 118.885 120.859 -1.974 18909 195 1 1 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.724 0.164 18909 196 1 1 . 1 1 587 587 ARG C C 587 175.875 175.875 175.564 0.311 18909 197 1 1 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.858 -1.531 18909 198 1 1 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.848 1.512 18909 199 1 1 . 1 1 587 587 ARG H H 587 7.588 7.588 7.627 -0.039 18909 200 1 1 . 1 1 588 588 THR N N 588 111.905 111.905 115.427 -3.522 18909 201 1 1 . 1 1 588 588 THR HA H 588 4.543 4.543 4.542 0.001 18909 202 1 1 . 1 1 588 588 THR C C 588 176.502 176.502 175.874 0.628 18909 203 1 1 . 1 1 588 588 THR CA C 588 60.335 60.335 61.343 -1.008 18909 204 1 1 . 1 1 588 588 THR CB C 588 72.376 72.376 70.127 2.249 18909 205 1 1 . 1 1 588 588 THR H H 588 8.919 8.919 8.195 0.724 18909 206 1 1 . 1 1 589 589 LYS N N 589 122.529 122.529 122.143 0.386 18909 207 1 1 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.092 -0.156 18909 208 1 1 . 1 1 589 589 LYS C C 589 177.945 177.945 178.531 -0.586 18909 209 1 1 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.601 1.580 18909 210 1 1 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.742 0.455 18909 211 1 1 . 1 1 589 589 LYS H H 589 9.076 9.076 8.783 0.293 18909 212 1 1 . 1 1 590 590 LYS N N 590 118.443 118.443 117.041 1.402 18909 213 1 1 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.930 -0.061 18909 214 1 1 . 1 1 590 590 LYS C C 590 178.888 178.888 178.069 0.819 18909 215 1 1 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.096 0.723 18909 216 1 1 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.782 0.578 18909 217 1 1 . 1 1 590 590 LYS H H 590 8.199 8.199 8.195 0.004 18909 218 1 1 . 1 1 591 591 ASP N N 591 120.281 120.281 121.466 -1.185 18909 219 1 1 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.618 -0.277 18909 220 1 1 . 1 1 591 591 ASP C C 591 179.771 179.771 178.656 1.115 18909 221 1 1 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.197 0.061 18909 222 1 1 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.705 1.053 18909 223 1 1 . 1 1 591 591 ASP H H 591 7.806 7.806 7.683 0.123 18909 224 1 1 . 1 1 592 592 CYS N N 592 118.153 118.153 118.178 -0.025 18909 225 1 1 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.343 -0.027 18909 226 1 1 . 1 1 592 592 CYS C C 592 175.773 175.773 177.095 -1.322 18909 227 1 1 . 1 1 592 592 CYS CA C 592 64.939 64.939 64.253 0.686 18909 228 1 1 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.318 -0.270 18909 229 1 1 . 1 1 592 592 CYS H H 592 8.551 8.551 8.059 0.491 18909 230 1 1 . 1 1 593 593 MET N N 593 119.107 119.107 119.594 -0.487 18909 231 1 1 . 1 1 593 593 MET HA H 593 3.011 3.011 3.691 -0.680 18909 232 1 1 . 1 1 593 593 MET C C 593 178.256 178.256 177.959 0.297 18909 233 1 1 . 1 1 593 593 MET CA C 593 59.546 59.546 59.196 0.350 18909 234 1 1 . 1 1 593 593 MET CB C 593 33.099 33.099 32.061 1.038 18909 235 1 1 . 1 1 593 593 MET H H 593 8.226 8.226 8.262 -0.036 18909 236 1 1 . 1 1 594 594 LYS N N 594 120.230 120.230 119.639 0.591 18909 237 1 1 . 1 1 594 594 LYS HA H 594 3.881 3.881 4.015 -0.134 18909 238 1 1 . 1 1 594 594 LYS C C 594 178.396 178.396 178.784 -0.388 18909 239 1 1 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.103 0.252 18909 240 1 1 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.124 0.396 18909 241 1 1 . 1 1 594 594 LYS H H 594 7.947 7.947 7.982 -0.035 18909 242 1 1 . 1 1 595 595 ARG N N 595 119.498 119.498 119.683 -0.185 18909 243 1 1 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.959 -0.096 18909 244 1 1 . 1 1 595 595 ARG C C 595 177.728 177.728 178.487 -0.759 18909 245 1 1 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.757 -1.799 18909 246 1 1 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.296 0.136 18909 247 1 1 . 1 1 595 595 ARG H H 595 7.964 7.964 8.138 -0.174 18909 248 1 1 . 1 1 596 596 TYR N N 596 118.375 118.375 120.514 -2.139 18909 249 1 1 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.156 -0.079 18909 250 1 1 . 1 1 596 596 TYR C C 596 176.072 176.072 177.634 -1.562 18909 251 1 1 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.996 0.223 18909 252 1 1 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.314 0.883 18909 253 1 1 . 1 1 596 596 TYR H H 596 8.161 8.161 7.995 0.166 18909 254 1 1 . 1 1 597 597 LYS N N 597 117.932 117.932 118.794 -0.862 18909 255 1 1 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.756 -0.173 18909 256 1 1 . 1 1 597 597 LYS C C 597 178.941 178.941 178.796 0.145 18909 257 1 1 . 1 1 597 597 LYS CA C 597 59.542 59.542 58.942 0.600 18909 258 1 1 . 1 1 597 597 LYS CB C 597 32.002 32.002 31.939 0.063 18909 259 1 1 . 1 1 597 597 LYS H H 597 7.709 7.709 7.923 -0.214 18909 260 1 1 . 1 1 598 598 GLU N N 598 118.153 118.153 119.710 -1.557 18909 261 1 1 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.028 -0.161 18909 262 1 1 . 1 1 598 598 GLU C C 598 179.389 179.389 179.116 0.273 18909 263 1 1 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.960 0.014 18909 264 1 1 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.140 0.265 18909 265 1 1 . 1 1 598 598 GLU H H 598 7.709 7.709 7.880 -0.171 18909 266 1 1 . 1 1 599 599 LEU N N 599 121.286 121.286 119.926 1.360 18909 267 1 1 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.924 0.059 18909 268 1 1 . 1 1 599 599 LEU C C 599 179.658 179.658 179.020 0.638 18909 269 1 1 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.942 -0.167 18909 270 1 1 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.490 -0.140 18909 271 1 1 . 1 1 599 599 LEU H H 599 8.044 8.044 7.937 0.107 18909 272 1 1 . 1 1 600 600 VAL N N 600 119.583 119.583 118.504 1.079 18909 273 1 1 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.532 -0.046 18909 274 1 1 . 1 1 600 600 VAL C C 600 178.899 178.899 178.529 0.370 18909 275 1 1 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.241 -0.185 18909 276 1 1 . 1 1 600 600 VAL CB C 600 31.570 31.570 30.550 1.020 18909 277 1 1 . 1 1 600 600 VAL H H 600 7.998 7.998 7.526 0.472 18909 278 1 1 . 1 1 601 601 GLU N N 601 119.073 119.073 119.269 -0.196 18909 279 1 1 . 1 1 601 601 GLU HA H 601 3.935 3.935 3.987 -0.052 18909 280 1 1 . 1 1 601 601 GLU C C 601 178.931 178.931 179.432 -0.501 18909 281 1 1 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.224 -0.577 18909 282 1 1 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.145 -0.108 18909 283 1 1 . 1 1 601 601 GLU H H 601 7.795 7.795 7.686 0.109 18909 284 1 1 . 1 1 602 602 MET N N 602 119.771 119.771 117.955 1.816 18909 285 1 1 . 1 1 602 602 MET HA H 602 4.153 4.153 4.147 0.006 18909 286 1 1 . 1 1 602 602 MET C C 602 178.353 178.353 178.661 -0.308 18909 287 1 1 . 1 1 602 602 MET CA C 602 58.484 58.484 59.414 -0.930 18909 288 1 1 . 1 1 602 602 MET CB C 602 32.433 32.433 32.870 -0.437 18909 289 1 1 . 1 1 602 602 MET H H 602 7.910 7.910 8.184 -0.274 18909 290 1 1 . 1 1 603 603 VAL N N 603 120.332 120.332 117.179 3.153 18909 291 1 1 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.706 -0.025 18909 292 1 1 . 1 1 603 603 VAL C C 603 178.203 178.203 177.698 0.505 18909 293 1 1 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.380 -0.792 18909 294 1 1 . 1 1 603 603 VAL CB C 603 31.765 31.765 30.972 0.793 18909 295 1 1 . 1 1 603 603 VAL H H 603 7.792 7.792 7.930 -0.138 18909 296 1 1 . 1 1 604 604 LYS N N 604 121.047 121.047 120.396 0.651 18909 297 1 1 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.976 -0.005 18909 298 1 1 . 1 1 604 604 LYS CA C 604 58.867 58.867 58.880 -0.013 18909 299 1 1 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.492 1.251 18909 300 1 1 . 1 1 604 604 LYS H H 604 7.855 7.855 8.030 -0.175 18909 301 1 1 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.054 0.113 18909 302 1 1 . 1 1 605 605 ALA C C 605 179.644 179.644 179.956 -0.312 18909 303 1 1 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.111 -1.040 18909 304 1 1 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.186 0.200 18909 305 1 1 . 1 1 606 606 LYS N N 606 120.077 120.077 118.916 1.161 18909 306 1 1 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.951 0.141 18909 307 1 1 . 1 1 606 606 LYS C C 606 178.218 178.218 178.750 -0.532 18909 308 1 1 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.572 -1.579 18909 309 1 1 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.379 -0.046 18909 310 1 1 . 1 1 606 606 LYS H H 606 7.967 7.967 8.039 -0.072 18909 311 1 1 . 1 1 607 607 LYS N N 607 120.979 120.979 120.182 0.797 18909 312 1 1 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.406 -0.301 18909 313 1 1 . 1 1 607 607 LYS C C 607 177.864 177.864 179.022 -1.158 18909 314 1 1 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.424 -0.431 18909 315 1 1 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.020 0.476 18909 316 1 1 . 1 1 607 607 LYS H H 607 8.013 8.013 7.722 0.291 18909 317 1 1 . 1 1 608 608 ALA N N 608 122.801 122.801 120.903 1.898 18909 318 1 1 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.121 0.039 18909 319 1 1 . 1 1 608 608 ALA C C 608 179.035 179.035 179.564 -0.529 18909 320 1 1 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.960 -1.216 18909 321 1 1 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.059 0.381 18909 322 1 1 . 1 1 608 608 ALA H H 608 8.034 8.034 8.013 0.021 18909 323 1 1 . 1 1 609 609 ALA N N 609 121.524 121.524 120.781 0.743 18909 324 1 1 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.981 0.213 18909 325 1 1 . 1 1 609 609 ALA C C 609 179.062 179.062 179.956 -0.894 18909 326 1 1 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.888 -1.253 18909 327 1 1 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.191 0.304 18909 328 1 1 . 1 1 609 609 ALA H H 609 7.930 7.930 7.734 0.196 18909 329 1 1 . 1 1 610 610 GLN N N 610 118.289 118.289 117.906 0.383 18909 330 1 1 . 1 1 610 610 GLN HA H 610 4.149 4.149 3.948 0.201 18909 331 1 1 . 1 1 610 610 GLN C C 610 177.230 177.230 178.499 -1.269 18909 332 1 1 . 1 1 610 610 GLN CA C 610 57.040 57.040 59.123 -2.083 18909 333 1 1 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.643 0.284 18909 334 1 1 . 1 1 610 610 GLN H H 610 7.996 7.996 8.432 -0.436 18909 335 1 1 . 1 1 611 611 GLU N N 611 120.690 120.690 119.738 0.952 18909 336 1 1 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.048 0.050 18909 337 1 1 . 1 1 611 611 GLU C C 611 177.237 177.237 179.069 -1.832 18909 338 1 1 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.184 -1.409 18909 339 1 1 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.434 0.420 18909 340 1 1 . 1 1 611 611 GLU H H 611 8.156 8.156 7.827 0.329 18909 341 1 1 . 1 1 612 612 GLN N N 612 119.771 119.771 118.698 1.073 18909 342 1 1 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.149 0.037 18909 343 1 1 . 1 1 612 612 GLN C C 612 176.949 176.949 178.816 -1.867 18909 344 1 1 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.101 -1.156 18909 345 1 1 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.436 0.450 18909 346 1 1 . 1 1 612 612 GLN H H 612 8.041 8.041 7.760 0.281 18909 347 1 1 . 1 1 613 613 VAL N N 613 120.724 120.724 120.572 0.152 18909 348 1 1 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.645 0.256 18909 349 1 1 . 1 1 613 613 VAL C C 613 177.118 177.118 178.319 -1.201 18909 350 1 1 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.199 -2.485 18909 351 1 1 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.483 0.668 18909 352 1 1 . 1 1 613 613 VAL H H 613 7.857 7.857 7.998 -0.141 18909 353 1 1 . 1 1 614 614 LEU N N 614 124.095 124.095 121.349 2.746 18909 354 1 1 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.998 0.203 18909 355 1 1 . 1 1 614 614 LEU C C 614 177.918 177.918 178.557 -0.639 18909 356 1 1 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.747 -1.715 18909 357 1 1 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.976 0.109 18909 358 1 1 . 1 1 614 614 LEU H H 614 8.105 8.105 8.030 0.075 18909 359 1 1 . 1 1 615 615 ASN N N 615 118.783 118.783 117.361 1.422 18909 360 1 1 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.352 0.196 18909 361 1 1 . 1 1 615 615 ASN C C 615 175.745 175.745 177.522 -1.777 18909 362 1 1 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.517 -2.392 18909 363 1 1 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.377 0.210 18909 364 1 1 . 1 1 615 615 ASN H H 615 8.282 8.282 7.972 0.310 18909 365 1 1 . 1 1 616 616 ALA N N 616 123.857 123.857 121.789 2.068 18909 366 1 1 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.149 0.074 18909 367 1 1 . 1 1 616 616 ALA C C 616 178.327 178.327 179.075 -0.748 18909 368 1 1 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.850 -1.570 18909 369 1 1 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.742 0.134 18909 370 1 1 . 1 1 616 616 ALA H H 616 8.098 8.098 8.021 0.077 18909 371 1 1 . 1 1 617 617 SER N N 617 114.101 114.101 112.610 1.491 18909 372 1 1 . 1 1 617 617 SER HA H 617 4.337 4.337 4.331 0.006 18909 373 1 1 . 1 1 617 617 SER C C 617 178.463 178.463 176.096 2.367 18909 374 1 1 . 1 1 617 617 SER CA C 617 58.865 58.865 60.509 -1.644 18909 375 1 1 . 1 1 617 617 SER CB C 617 63.659 63.659 63.695 -0.036 18909 376 1 1 . 1 1 617 617 SER H H 617 8.098 8.098 7.893 0.205 18909 377 1 1 . 1 1 618 618 ARG N N 618 122.410 122.410 124.294 -1.884 18909 378 1 1 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.249 0.018 18909 379 1 1 . 1 1 618 618 ARG C C 618 175.902 175.902 176.014 -0.112 18909 380 1 1 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.568 -0.373 18909 381 1 1 . 1 1 618 618 ARG CB C 618 30.604 30.604 31.075 -0.471 18909 382 1 1 . 1 1 618 618 ARG H H 618 8.012 8.012 7.790 0.222 18909 383 1 1 . 1 1 619 619 ALA N N 619 124.555 124.555 121.847 2.708 18909 384 1 1 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.655 -0.427 18909 385 1 1 . 1 1 619 619 ALA C C 619 177.455 177.455 175.323 2.132 18909 386 1 1 . 1 1 619 619 ALA CA C 619 52.491 52.491 51.098 1.393 18909 387 1 1 . 1 1 619 619 ALA CB C 619 19.203 19.203 21.301 -2.098 18909 388 1 1 . 1 1 619 619 ALA H H 619 8.039 8.039 7.799 0.240 18909 389 1 1 . 1 1 620 620 LYS N N 620 121.286 121.286 121.655 -0.369 18909 390 1 1 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.384 -0.151 18909 391 1 1 . 1 1 620 620 LYS C C 620 175.548 175.548 176.232 -0.684 18909 392 1 1 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.952 0.352 18909 393 1 1 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.347 -0.373 18909 394 1 1 . 1 1 620 620 LYS H H 620 8.139 8.139 8.375 -0.236 18909 395 1 2 . 1 1 552 552 THR N N 552 120.945 120.945 117.270 3.675 18909 396 1 2 . 1 1 552 552 THR HA H 552 4.505 4.505 4.340 0.165 18909 397 1 2 . 1 1 552 552 THR CA C 552 59.439 59.439 60.698 -1.259 18909 398 1 2 . 1 1 552 552 THR CB C 552 69.599 69.599 69.518 0.081 18909 399 1 2 . 1 1 552 552 THR H H 552 8.265 8.265 8.306 -0.041 18909 400 1 2 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.376 0.109 18909 401 1 2 . 1 1 553 553 PRO C C 553 176.938 176.938 177.163 -0.225 18909 402 1 2 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.628 0.486 18909 403 1 2 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.366 -0.182 18909 404 1 2 . 1 1 554 554 TRP N N 554 124.095 124.095 122.355 1.740 18909 405 1 2 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.596 -0.255 18909 406 1 2 . 1 1 554 554 TRP C C 554 178.191 178.191 177.356 0.835 18909 407 1 2 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.144 1.340 18909 408 1 2 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.916 -0.560 18909 409 1 2 . 1 1 554 554 TRP H H 554 8.989 8.989 8.868 0.121 18909 410 1 2 . 1 1 555 555 THR N N 555 115.804 115.804 117.416 -1.612 18909 411 1 2 . 1 1 555 555 THR HA H 555 4.653 4.653 4.607 0.046 18909 412 1 2 . 1 1 555 555 THR C C 555 176.011 176.011 176.176 -0.165 18909 413 1 2 . 1 1 555 555 THR CA C 555 60.145 60.145 61.228 -1.083 18909 414 1 2 . 1 1 555 555 THR CB C 555 71.749 71.749 70.681 1.068 18909 415 1 2 . 1 1 555 555 THR H H 555 8.800 8.800 8.660 0.140 18909 416 1 2 . 1 1 556 556 THR N N 556 116.791 116.791 115.628 1.163 18909 417 1 2 . 1 1 556 556 THR HA H 556 3.934 3.934 4.131 -0.197 18909 418 1 2 . 1 1 556 556 THR C C 556 176.992 176.992 176.528 0.464 18909 419 1 2 . 1 1 556 556 THR CA C 556 66.329 66.329 66.488 -0.159 18909 420 1 2 . 1 1 556 556 THR CB C 556 68.616 68.616 68.385 0.231 18909 421 1 2 . 1 1 556 556 THR H H 556 8.866 8.866 8.621 0.245 18909 422 1 2 . 1 1 557 557 GLU N N 557 121.303 121.303 121.337 -0.034 18909 423 1 2 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.215 -0.209 18909 424 1 2 . 1 1 557 557 GLU C C 557 179.310 179.310 178.510 0.800 18909 425 1 2 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.484 0.742 18909 426 1 2 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.402 0.753 18909 427 1 2 . 1 1 557 557 GLU H H 557 8.538 8.538 8.938 -0.400 18909 428 1 2 . 1 1 558 558 GLU N N 558 119.737 119.737 120.239 -0.502 18909 429 1 2 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.140 -0.225 18909 430 1 2 . 1 1 558 558 GLU C C 558 178.844 178.844 179.527 -0.683 18909 431 1 2 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.915 1.094 18909 432 1 2 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.317 2.117 18909 433 1 2 . 1 1 558 558 GLU H H 558 7.831 7.831 7.689 0.142 18909 434 1 2 . 1 1 559 559 GLN N N 559 119.328 119.328 118.897 0.431 18909 435 1 2 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.307 -0.190 18909 436 1 2 . 1 1 559 559 GLN C C 559 178.155 178.155 178.421 -0.266 18909 437 1 2 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.776 0.579 18909 438 1 2 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.587 -0.602 18909 439 1 2 . 1 1 559 559 GLN H H 559 8.608 8.608 8.391 0.217 18909 440 1 2 . 1 1 560 560 LYS N N 560 119.311 119.311 119.629 -0.318 18909 441 1 2 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.325 -0.220 18909 442 1 2 . 1 1 560 560 LYS C C 560 179.880 179.880 179.276 0.604 18909 443 1 2 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.137 0.600 18909 444 1 2 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.835 0.226 18909 445 1 2 . 1 1 560 560 LYS H H 560 8.000 8.000 7.720 0.280 18909 446 1 2 . 1 1 561 561 LEU N N 561 120.026 120.026 120.647 -0.621 18909 447 1 2 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.095 0.031 18909 448 1 2 . 1 1 561 561 LEU C C 561 180.452 180.452 179.263 1.189 18909 449 1 2 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.627 0.693 18909 450 1 2 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.792 0.021 18909 451 1 2 . 1 1 561 561 LEU H H 561 7.814 7.814 7.759 0.055 18909 452 1 2 . 1 1 562 562 LEU N N 562 122.427 122.427 120.322 2.105 18909 453 1 2 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.120 -0.124 18909 454 1 2 . 1 1 562 562 LEU C C 562 177.428 177.428 178.496 -1.068 18909 455 1 2 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.160 0.269 18909 456 1 2 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.886 -0.019 18909 457 1 2 . 1 1 562 562 LEU H H 562 8.374 8.374 7.841 0.533 18909 458 1 2 . 1 1 563 563 GLU N N 563 117.574 117.574 118.454 -0.880 18909 459 1 2 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.846 -0.007 18909 460 1 2 . 1 1 563 563 GLU C C 563 179.907 179.907 178.947 0.960 18909 461 1 2 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.821 0.324 18909 462 1 2 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.500 -0.095 18909 463 1 2 . 1 1 563 563 GLU H H 563 8.541 8.541 8.552 -0.011 18909 464 1 2 . 1 1 564 564 GLN N N 564 117.659 117.659 117.757 -0.098 18909 465 1 2 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.006 -0.003 18909 466 1 2 . 1 1 564 564 GLN C C 564 178.490 178.490 178.058 0.432 18909 467 1 2 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.422 -0.047 18909 468 1 2 . 1 1 564 564 GLN CB C 564 28.507 28.507 27.603 0.904 18909 469 1 2 . 1 1 564 564 GLN H H 564 8.098 8.098 8.152 -0.054 18909 470 1 2 . 1 1 565 565 ALA N N 565 125.117 125.117 122.005 3.112 18909 471 1 2 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.978 0.115 18909 472 1 2 . 1 1 565 565 ALA C C 565 178.681 178.681 179.617 -0.936 18909 473 1 2 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.495 0.830 18909 474 1 2 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.315 0.997 18909 475 1 2 . 1 1 565 565 ALA H H 565 8.270 8.270 7.585 0.685 18909 476 1 2 . 1 1 566 566 LEU N N 566 117.217 117.217 118.328 -1.111 18909 477 1 2 . 1 1 566 566 LEU HA H 566 3.581 3.581 4.010 -0.429 18909 478 1 2 . 1 1 566 566 LEU C C 566 178.409 178.409 179.575 -1.166 18909 479 1 2 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.965 0.592 18909 480 1 2 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.652 0.392 18909 481 1 2 . 1 1 566 566 LEU H H 566 8.170 8.170 7.924 0.246 18909 482 1 2 . 1 1 567 567 LYS N N 567 115.429 115.429 118.723 -3.294 18909 483 1 2 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.153 -0.225 18909 484 1 2 . 1 1 567 567 LYS C C 567 177.809 177.809 177.814 -0.005 18909 485 1 2 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.848 -1.182 18909 486 1 2 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.460 0.254 18909 487 1 2 . 1 1 567 567 LYS H H 567 6.960 6.960 8.106 -1.146 18909 488 1 2 . 1 1 568 568 THR N N 568 117.847 117.847 114.033 3.814 18909 489 1 2 . 1 1 568 568 THR HA H 568 3.468 3.468 4.038 -0.570 18909 490 1 2 . 1 1 568 568 THR C C 568 173.447 173.447 174.719 -1.272 18909 491 1 2 . 1 1 568 568 THR CA C 568 65.620 65.620 64.654 0.966 18909 492 1 2 . 1 1 568 568 THR CB C 568 69.080 69.080 69.162 -0.082 18909 493 1 2 . 1 1 568 568 THR H H 568 8.024 8.024 7.507 0.517 18909 494 1 2 . 1 1 569 569 TYR N N 569 118.409 118.409 120.986 -2.577 18909 495 1 2 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.892 0.008 18909 496 1 2 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.188 -0.388 18909 497 1 2 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.728 -0.463 18909 498 1 2 . 1 1 569 569 TYR H H 569 7.690 7.690 7.619 0.071 18909 499 1 2 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.451 0.056 18909 500 1 2 . 1 1 570 570 PRO C C 570 177.728 177.728 178.198 -0.470 18909 501 1 2 . 1 1 570 570 PRO CA C 570 62.297 62.297 61.789 0.508 18909 502 1 2 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.016 0.556 18909 503 1 2 . 1 1 571 571 VAL N N 571 120.230 120.230 119.319 0.911 18909 504 1 2 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.597 -0.130 18909 505 1 2 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.364 0.850 18909 506 1 2 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.189 -0.154 18909 507 1 2 . 1 1 571 571 VAL H H 571 8.601 8.601 8.540 0.061 18909 508 1 2 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.623 -0.146 18909 509 1 2 . 1 1 572 572 ASN C C 572 175.194 175.194 175.564 -0.370 18909 510 1 2 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.511 -0.331 18909 511 1 2 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.194 -1.230 18909 512 1 2 . 1 1 573 573 THR N N 573 119.345 119.345 117.802 1.543 18909 513 1 2 . 1 1 573 573 THR HA H 573 4.255 4.255 4.584 -0.329 18909 514 1 2 . 1 1 573 573 THR CA C 573 62.108 62.108 61.202 0.907 18909 515 1 2 . 1 1 573 573 THR CB C 573 70.852 70.852 68.988 1.864 18909 516 1 2 . 1 1 573 573 THR H H 573 7.721 7.721 7.502 0.219 18909 517 1 2 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.323 -0.037 18909 518 1 2 . 1 1 574 574 PRO C C 574 176.938 176.938 177.306 -0.368 18909 519 1 2 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.820 -1.433 18909 520 1 2 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.083 -0.363 18909 521 1 2 . 1 1 575 575 GLU N N 575 118.953 118.953 117.104 1.849 18909 522 1 2 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.510 -0.466 18909 523 1 2 . 1 1 575 575 GLU C C 575 176.475 176.475 177.183 -0.708 18909 524 1 2 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.021 1.937 18909 525 1 2 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.456 -1.135 18909 526 1 2 . 1 1 575 575 GLU H H 575 9.066 9.066 8.503 0.563 18909 527 1 2 . 1 1 576 576 ARG N N 576 116.246 116.246 121.494 -5.248 18909 528 1 2 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.653 -0.700 18909 529 1 2 . 1 1 576 576 ARG C C 576 177.319 177.319 177.180 0.139 18909 530 1 2 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.565 0.397 18909 531 1 2 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.095 1.012 18909 532 1 2 . 1 1 576 576 ARG H H 576 7.048 7.048 7.402 -0.354 18909 533 1 2 . 1 1 577 577 TRP N N 577 114.935 114.935 116.139 -1.204 18909 534 1 2 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.481 -0.415 18909 535 1 2 . 1 1 577 577 TRP C C 577 177.782 177.782 178.168 -0.386 18909 536 1 2 . 1 1 577 577 TRP CA C 577 60.690 60.690 58.829 1.861 18909 537 1 2 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.937 -0.541 18909 538 1 2 . 1 1 577 577 TRP H H 577 8.238 8.238 8.078 0.160 18909 539 1 2 . 1 1 578 578 LYS N N 578 122.682 122.682 119.712 2.970 18909 540 1 2 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.110 -0.134 18909 541 1 2 . 1 1 578 578 LYS C C 578 178.872 178.872 178.656 0.216 18909 542 1 2 . 1 1 578 578 LYS CA C 578 59.791 59.791 58.910 0.881 18909 543 1 2 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.865 0.849 18909 544 1 2 . 1 1 578 578 LYS H H 578 7.686 7.686 7.565 0.121 18909 545 1 2 . 1 1 579 579 LYS N N 579 118.732 118.732 119.700 -0.968 18909 546 1 2 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.347 -0.746 18909 547 1 2 . 1 1 579 579 LYS C C 579 179.362 179.362 178.937 0.425 18909 548 1 2 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.373 0.220 18909 549 1 2 . 1 1 579 579 LYS CB C 579 29.569 29.569 32.152 -2.583 18909 550 1 2 . 1 1 579 579 LYS H H 579 7.375 7.375 7.521 -0.146 18909 551 1 2 . 1 1 580 580 ILE N N 580 120.281 120.281 120.205 0.076 18909 552 1 2 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.815 -0.404 18909 553 1 2 . 1 1 580 580 ILE C C 580 176.747 176.747 177.515 -0.768 18909 554 1 2 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.930 0.962 18909 555 1 2 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.811 -0.194 18909 556 1 2 . 1 1 580 580 ILE H H 580 8.206 8.206 7.932 0.274 18909 557 1 2 . 1 1 581 581 ALA N N 581 119.004 119.004 122.290 -3.286 18909 558 1 2 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.024 0.185 18909 559 1 2 . 1 1 581 581 ALA C C 581 181.487 181.487 178.896 2.591 18909 560 1 2 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.441 -0.089 18909 561 1 2 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.446 -1.259 18909 562 1 2 . 1 1 581 581 ALA H H 581 7.944 7.944 7.844 0.100 18909 563 1 2 . 1 1 582 582 GLU N N 582 117.557 117.557 117.320 0.237 18909 564 1 2 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.154 -0.288 18909 565 1 2 . 1 1 582 582 GLU C C 582 177.659 177.659 178.143 -0.484 18909 566 1 2 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.249 0.364 18909 567 1 2 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.607 -0.384 18909 568 1 2 . 1 1 582 582 GLU H H 582 7.722 7.722 7.683 0.039 18909 569 1 2 . 1 1 583 583 ALA N N 583 120.247 120.247 119.984 0.263 18909 570 1 2 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.325 0.005 18909 571 1 2 . 1 1 583 583 ALA C C 583 176.311 176.311 176.941 -0.630 18909 572 1 2 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.206 -0.673 18909 573 1 2 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.122 -0.708 18909 574 1 2 . 1 1 583 583 ALA H H 583 7.486 7.486 7.603 -0.117 18909 575 1 2 . 1 1 584 584 VAL N N 584 120.230 120.230 118.473 1.757 18909 576 1 2 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.525 -0.103 18909 577 1 2 . 1 1 584 584 VAL CA C 584 59.330 59.330 57.918 1.412 18909 578 1 2 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.212 -1.531 18909 579 1 2 . 1 1 584 584 VAL H H 584 7.486 7.486 7.636 -0.150 18909 580 1 2 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.574 -0.339 18909 581 1 2 . 1 1 585 585 PRO C C 585 178.000 178.000 178.234 -0.234 18909 582 1 2 . 1 1 585 585 PRO CA C 585 64.095 64.095 63.102 0.993 18909 583 1 2 . 1 1 585 585 PRO CB C 585 31.666 31.666 31.953 -0.287 18909 584 1 2 . 1 1 586 586 GLY N N 586 111.258 111.258 113.421 -2.163 18909 585 1 2 . 1 1 586 586 GLY C C 586 174.077 174.077 174.386 -0.309 18909 586 1 2 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.100 0.117 18909 587 1 2 . 1 1 586 586 GLY H H 586 8.470 8.470 8.629 -0.159 18909 588 1 2 . 1 1 587 587 ARG N N 587 118.885 118.885 122.489 -3.604 18909 589 1 2 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.300 0.588 18909 590 1 2 . 1 1 587 587 ARG C C 587 175.875 175.875 176.252 -0.377 18909 591 1 2 . 1 1 587 587 ARG CA C 587 52.327 52.327 55.287 -2.960 18909 592 1 2 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.116 2.244 18909 593 1 2 . 1 1 587 587 ARG H H 587 7.588 7.588 7.816 -0.228 18909 594 1 2 . 1 1 588 588 THR N N 588 111.905 111.905 115.439 -3.534 18909 595 1 2 . 1 1 588 588 THR HA H 588 4.543 4.543 4.447 0.096 18909 596 1 2 . 1 1 588 588 THR C C 588 176.502 176.502 175.669 0.833 18909 597 1 2 . 1 1 588 588 THR CA C 588 60.335 60.335 61.051 -0.716 18909 598 1 2 . 1 1 588 588 THR CB C 588 72.376 72.376 70.733 1.643 18909 599 1 2 . 1 1 588 588 THR H H 588 8.919 8.919 8.064 0.855 18909 600 1 2 . 1 1 589 589 LYS N N 589 122.529 122.529 122.461 0.068 18909 601 1 2 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.073 -0.137 18909 602 1 2 . 1 1 589 589 LYS C C 589 177.945 177.945 178.487 -0.542 18909 603 1 2 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.849 1.332 18909 604 1 2 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.888 0.309 18909 605 1 2 . 1 1 589 589 LYS H H 589 9.076 9.076 8.755 0.321 18909 606 1 2 . 1 1 590 590 LYS N N 590 118.443 118.443 116.752 1.691 18909 607 1 2 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.920 -0.051 18909 608 1 2 . 1 1 590 590 LYS C C 590 178.888 178.888 178.250 0.638 18909 609 1 2 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.103 0.716 18909 610 1 2 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.743 0.617 18909 611 1 2 . 1 1 590 590 LYS H H 590 8.199 8.199 8.179 0.020 18909 612 1 2 . 1 1 591 591 ASP N N 591 120.281 120.281 121.111 -0.830 18909 613 1 2 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.483 -0.142 18909 614 1 2 . 1 1 591 591 ASP C C 591 179.771 179.771 178.560 1.211 18909 615 1 2 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.468 -0.210 18909 616 1 2 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.557 1.200 18909 617 1 2 . 1 1 591 591 ASP H H 591 7.806 7.806 7.742 0.064 18909 618 1 2 . 1 1 592 592 CYS N N 592 118.153 118.153 119.528 -1.375 18909 619 1 2 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.266 0.050 18909 620 1 2 . 1 1 592 592 CYS C C 592 175.773 175.773 176.502 -0.729 18909 621 1 2 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.396 1.543 18909 622 1 2 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.430 -0.382 18909 623 1 2 . 1 1 592 592 CYS H H 592 8.551 8.551 8.090 0.461 18909 624 1 2 . 1 1 593 593 MET N N 593 119.107 119.107 119.252 -0.145 18909 625 1 2 . 1 1 593 593 MET HA H 593 3.011 3.011 3.632 -0.621 18909 626 1 2 . 1 1 593 593 MET C C 593 178.256 178.256 178.101 0.155 18909 627 1 2 . 1 1 593 593 MET CA C 593 59.546 59.546 59.257 0.289 18909 628 1 2 . 1 1 593 593 MET CB C 593 33.099 33.099 31.857 1.242 18909 629 1 2 . 1 1 593 593 MET H H 593 8.226 8.226 8.171 0.055 18909 630 1 2 . 1 1 594 594 LYS N N 594 120.230 120.230 119.755 0.475 18909 631 1 2 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.886 -0.005 18909 632 1 2 . 1 1 594 594 LYS C C 594 178.396 178.396 178.773 -0.377 18909 633 1 2 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.732 -0.377 18909 634 1 2 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.273 0.247 18909 635 1 2 . 1 1 594 594 LYS H H 594 7.947 7.947 8.109 -0.162 18909 636 1 2 . 1 1 595 595 ARG N N 595 119.498 119.498 118.944 0.554 18909 637 1 2 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.914 -0.051 18909 638 1 2 . 1 1 595 595 ARG C C 595 177.728 177.728 178.400 -0.672 18909 639 1 2 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.132 -1.174 18909 640 1 2 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.059 0.373 18909 641 1 2 . 1 1 595 595 ARG H H 595 7.964 7.964 7.620 0.344 18909 642 1 2 . 1 1 596 596 TYR N N 596 118.375 118.375 120.543 -2.168 18909 643 1 2 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.119 -0.042 18909 644 1 2 . 1 1 596 596 TYR C C 596 176.072 176.072 177.316 -1.244 18909 645 1 2 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.014 0.205 18909 646 1 2 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.448 0.749 18909 647 1 2 . 1 1 596 596 TYR H H 596 8.161 8.161 8.009 0.152 18909 648 1 2 . 1 1 597 597 LYS N N 597 117.932 117.932 119.136 -1.204 18909 649 1 2 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.641 -0.058 18909 650 1 2 . 1 1 597 597 LYS C C 597 178.941 178.941 178.579 0.362 18909 651 1 2 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.757 -0.215 18909 652 1 2 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.169 -0.167 18909 653 1 2 . 1 1 597 597 LYS H H 597 7.709 7.709 8.145 -0.436 18909 654 1 2 . 1 1 598 598 GLU N N 598 118.153 118.153 119.282 -1.129 18909 655 1 2 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.997 -0.130 18909 656 1 2 . 1 1 598 598 GLU C C 598 179.389 179.389 179.131 0.258 18909 657 1 2 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.933 0.041 18909 658 1 2 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.120 0.284 18909 659 1 2 . 1 1 598 598 GLU H H 598 7.709 7.709 7.727 -0.018 18909 660 1 2 . 1 1 599 599 LEU N N 599 121.286 121.286 119.600 1.686 18909 661 1 2 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.968 0.015 18909 662 1 2 . 1 1 599 599 LEU C C 599 179.658 179.658 179.360 0.298 18909 663 1 2 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.936 -0.161 18909 664 1 2 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.541 -0.191 18909 665 1 2 . 1 1 599 599 LEU H H 599 8.044 8.044 8.121 -0.077 18909 666 1 2 . 1 1 600 600 VAL N N 600 119.583 119.583 118.744 0.839 18909 667 1 2 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.550 -0.064 18909 668 1 2 . 1 1 600 600 VAL C C 600 178.899 178.899 178.252 0.647 18909 669 1 2 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.895 -0.839 18909 670 1 2 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.171 0.399 18909 671 1 2 . 1 1 600 600 VAL H H 600 7.998 7.998 7.837 0.161 18909 672 1 2 . 1 1 601 601 GLU N N 601 119.073 119.073 119.610 -0.537 18909 673 1 2 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.080 -0.145 18909 674 1 2 . 1 1 601 601 GLU C C 601 178.931 178.931 179.384 -0.453 18909 675 1 2 . 1 1 601 601 GLU CA C 601 58.647 58.647 58.885 -0.238 18909 676 1 2 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.149 -0.112 18909 677 1 2 . 1 1 601 601 GLU H H 601 7.795 7.795 8.061 -0.266 18909 678 1 2 . 1 1 602 602 MET N N 602 119.771 119.771 118.403 1.368 18909 679 1 2 . 1 1 602 602 MET HA H 602 4.153 4.153 4.193 -0.040 18909 680 1 2 . 1 1 602 602 MET C C 602 178.353 178.353 178.570 -0.217 18909 681 1 2 . 1 1 602 602 MET CA C 602 58.484 58.484 59.504 -1.020 18909 682 1 2 . 1 1 602 602 MET CB C 602 32.433 32.433 32.913 -0.480 18909 683 1 2 . 1 1 602 602 MET H H 602 7.910 7.910 8.316 -0.406 18909 684 1 2 . 1 1 603 603 VAL N N 603 120.332 120.332 117.382 2.950 18909 685 1 2 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.723 -0.042 18909 686 1 2 . 1 1 603 603 VAL C C 603 178.203 178.203 177.463 0.740 18909 687 1 2 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.182 -0.594 18909 688 1 2 . 1 1 603 603 VAL CB C 603 31.765 31.765 30.926 0.839 18909 689 1 2 . 1 1 603 603 VAL H H 603 7.792 7.792 7.727 0.065 18909 690 1 2 . 1 1 604 604 LYS N N 604 121.047 121.047 120.729 0.318 18909 691 1 2 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.918 0.053 18909 692 1 2 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.827 -0.960 18909 693 1 2 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.982 0.761 18909 694 1 2 . 1 1 604 604 LYS H H 604 7.855 7.855 8.057 -0.202 18909 695 1 2 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.060 0.107 18909 696 1 2 . 1 1 605 605 ALA C C 605 179.644 179.644 179.946 -0.302 18909 697 1 2 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.130 -1.060 18909 698 1 2 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.234 0.152 18909 699 1 2 . 1 1 606 606 LYS N N 606 120.077 120.077 117.556 2.521 18909 700 1 2 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.088 0.004 18909 701 1 2 . 1 1 606 606 LYS C C 606 178.218 178.218 178.966 -0.748 18909 702 1 2 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.250 -1.257 18909 703 1 2 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.482 -0.149 18909 704 1 2 . 1 1 606 606 LYS H H 606 7.967 7.967 7.712 0.255 18909 705 1 2 . 1 1 607 607 LYS N N 607 120.979 120.979 120.076 0.903 18909 706 1 2 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.166 -0.061 18909 707 1 2 . 1 1 607 607 LYS C C 607 177.864 177.864 178.756 -0.892 18909 708 1 2 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.745 -0.752 18909 709 1 2 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.478 0.018 18909 710 1 2 . 1 1 607 607 LYS H H 607 8.013 8.013 7.935 0.078 18909 711 1 2 . 1 1 608 608 ALA N N 608 122.801 122.801 120.777 2.024 18909 712 1 2 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.175 -0.015 18909 713 1 2 . 1 1 608 608 ALA C C 608 179.035 179.035 179.379 -0.344 18909 714 1 2 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.898 -1.154 18909 715 1 2 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.148 0.292 18909 716 1 2 . 1 1 608 608 ALA H H 608 8.034 8.034 8.185 -0.151 18909 717 1 2 . 1 1 609 609 ALA N N 609 121.524 121.524 121.000 0.524 18909 718 1 2 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.988 0.206 18909 719 1 2 . 1 1 609 609 ALA C C 609 179.062 179.062 179.665 -0.603 18909 720 1 2 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.918 -1.283 18909 721 1 2 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.151 0.344 18909 722 1 2 . 1 1 609 609 ALA H H 609 7.930 7.930 7.658 0.272 18909 723 1 2 . 1 1 610 610 GLN N N 610 118.289 118.289 118.432 -0.143 18909 724 1 2 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.021 0.128 18909 725 1 2 . 1 1 610 610 GLN C C 610 177.230 177.230 178.075 -0.845 18909 726 1 2 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.852 -1.812 18909 727 1 2 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.766 0.162 18909 728 1 2 . 1 1 610 610 GLN H H 610 7.996 7.996 8.133 -0.137 18909 729 1 2 . 1 1 611 611 GLU N N 611 120.690 120.690 120.006 0.684 18909 730 1 2 . 1 1 611 611 GLU HA H 611 4.098 4.098 3.964 0.134 18909 731 1 2 . 1 1 611 611 GLU C C 611 177.237 177.237 178.880 -1.643 18909 732 1 2 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.565 -1.790 18909 733 1 2 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.330 0.524 18909 734 1 2 . 1 1 611 611 GLU H H 611 8.156 8.156 7.953 0.203 18909 735 1 2 . 1 1 612 612 GLN N N 612 119.771 119.771 117.873 1.898 18909 736 1 2 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.129 0.057 18909 737 1 2 . 1 1 612 612 GLN C C 612 176.949 176.949 178.597 -1.648 18909 738 1 2 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.609 -1.664 18909 739 1 2 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.468 0.419 18909 740 1 2 . 1 1 612 612 GLN H H 612 8.041 8.041 7.917 0.124 18909 741 1 2 . 1 1 613 613 VAL N N 613 120.724 120.724 121.093 -0.369 18909 742 1 2 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.673 0.228 18909 743 1 2 . 1 1 613 613 VAL C C 613 177.118 177.118 178.186 -1.068 18909 744 1 2 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.847 -2.134 18909 745 1 2 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.579 0.572 18909 746 1 2 . 1 1 613 613 VAL H H 613 7.857 7.857 7.378 0.479 18909 747 1 2 . 1 1 614 614 LEU N N 614 124.095 124.095 120.661 3.434 18909 748 1 2 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.861 0.340 18909 749 1 2 . 1 1 614 614 LEU C C 614 177.918 177.918 178.912 -0.994 18909 750 1 2 . 1 1 614 614 LEU CA C 614 56.032 56.032 58.157 -2.125 18909 751 1 2 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.382 0.703 18909 752 1 2 . 1 1 614 614 LEU H H 614 8.105 8.105 8.300 -0.195 18909 753 1 2 . 1 1 615 615 ASN N N 615 118.783 118.783 117.472 1.311 18909 754 1 2 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.419 0.129 18909 755 1 2 . 1 1 615 615 ASN C C 615 175.745 175.745 177.537 -1.792 18909 756 1 2 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.111 -1.986 18909 757 1 2 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.270 0.317 18909 758 1 2 . 1 1 615 615 ASN H H 615 8.282 8.282 8.099 0.183 18909 759 1 2 . 1 1 616 616 ALA N N 616 123.857 123.857 121.267 2.590 18909 760 1 2 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.160 0.063 18909 761 1 2 . 1 1 616 616 ALA C C 616 178.327 178.327 178.874 -0.547 18909 762 1 2 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.576 -1.296 18909 763 1 2 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.449 0.427 18909 764 1 2 . 1 1 616 616 ALA H H 616 8.098 8.098 7.719 0.379 18909 765 1 2 . 1 1 617 617 SER N N 617 114.101 114.101 112.668 1.433 18909 766 1 2 . 1 1 617 617 SER HA H 617 4.337 4.337 4.289 0.048 18909 767 1 2 . 1 1 617 617 SER C C 617 178.463 178.463 176.310 2.153 18909 768 1 2 . 1 1 617 617 SER CA C 617 58.865 58.865 60.422 -1.557 18909 769 1 2 . 1 1 617 617 SER CB C 617 63.659 63.659 63.374 0.285 18909 770 1 2 . 1 1 617 617 SER H H 617 8.098 8.098 7.756 0.342 18909 771 1 2 . 1 1 618 618 ARG N N 618 122.410 122.410 118.792 3.618 18909 772 1 2 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.298 -0.031 18909 773 1 2 . 1 1 618 618 ARG C C 618 175.902 175.902 176.555 -0.653 18909 774 1 2 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.913 0.282 18909 775 1 2 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.204 0.400 18909 776 1 2 . 1 1 618 618 ARG H H 618 8.012 8.012 7.652 0.360 18909 777 1 2 . 1 1 619 619 ALA N N 619 124.555 124.555 123.407 1.148 18909 778 1 2 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.387 -0.159 18909 779 1 2 . 1 1 619 619 ALA C C 619 177.455 177.455 175.980 1.475 18909 780 1 2 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.059 0.432 18909 781 1 2 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.866 -0.664 18909 782 1 2 . 1 1 619 619 ALA H H 619 8.039 8.039 7.477 0.562 18909 783 1 2 . 1 1 620 620 LYS N N 620 121.286 121.286 118.877 2.409 18909 784 1 2 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.556 -0.323 18909 785 1 2 . 1 1 620 620 LYS C C 620 175.548 175.548 175.975 -0.427 18909 786 1 2 . 1 1 620 620 LYS CA C 620 56.304 56.304 54.960 1.344 18909 787 1 2 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.633 -0.659 18909 788 1 2 . 1 1 620 620 LYS H H 620 8.139 8.139 7.894 0.245 18909 789 1 3 . 1 1 552 552 THR N N 552 120.945 120.945 116.782 4.163 18909 790 1 3 . 1 1 552 552 THR HA H 552 4.505 4.505 4.506 -0.001 18909 791 1 3 . 1 1 552 552 THR CA C 552 59.439 59.439 59.980 -0.541 18909 792 1 3 . 1 1 552 552 THR CB C 552 69.599 69.599 69.433 0.166 18909 793 1 3 . 1 1 552 552 THR H H 552 8.265 8.265 8.225 0.040 18909 794 1 3 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.669 -0.184 18909 795 1 3 . 1 1 553 553 PRO C C 553 176.938 176.938 176.565 0.373 18909 796 1 3 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.340 0.774 18909 797 1 3 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.739 -0.555 18909 798 1 3 . 1 1 554 554 TRP N N 554 124.095 124.095 121.212 2.883 18909 799 1 3 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.695 -0.354 18909 800 1 3 . 1 1 554 554 TRP C C 554 178.191 178.191 177.685 0.506 18909 801 1 3 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.538 0.945 18909 802 1 3 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.642 -0.286 18909 803 1 3 . 1 1 554 554 TRP H H 554 8.989 8.989 8.516 0.473 18909 804 1 3 . 1 1 555 555 THR N N 555 115.804 115.804 118.349 -2.545 18909 805 1 3 . 1 1 555 555 THR HA H 555 4.653 4.653 4.693 -0.040 18909 806 1 3 . 1 1 555 555 THR C C 555 176.011 176.011 175.813 0.198 18909 807 1 3 . 1 1 555 555 THR CA C 555 60.145 60.145 60.905 -0.760 18909 808 1 3 . 1 1 555 555 THR CB C 555 71.749 71.749 70.838 0.911 18909 809 1 3 . 1 1 555 555 THR H H 555 8.800 8.800 8.656 0.144 18909 810 1 3 . 1 1 556 556 THR N N 556 116.791 116.791 116.717 0.074 18909 811 1 3 . 1 1 556 556 THR HA H 556 3.934 3.934 3.958 -0.024 18909 812 1 3 . 1 1 556 556 THR C C 556 176.992 176.992 176.586 0.406 18909 813 1 3 . 1 1 556 556 THR CA C 556 66.329 66.329 67.343 -1.014 18909 814 1 3 . 1 1 556 556 THR CB C 556 68.616 68.616 68.727 -0.111 18909 815 1 3 . 1 1 556 556 THR H H 556 8.866 8.866 8.617 0.249 18909 816 1 3 . 1 1 557 557 GLU N N 557 121.303 121.303 121.007 0.296 18909 817 1 3 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.095 -0.089 18909 818 1 3 . 1 1 557 557 GLU C C 557 179.310 179.310 178.730 0.580 18909 819 1 3 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.311 0.915 18909 820 1 3 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.936 0.219 18909 821 1 3 . 1 1 557 557 GLU H H 557 8.538 8.538 8.840 -0.302 18909 822 1 3 . 1 1 558 558 GLU N N 558 119.737 119.737 119.588 0.149 18909 823 1 3 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.052 -0.137 18909 824 1 3 . 1 1 558 558 GLU C C 558 178.844 178.844 179.218 -0.374 18909 825 1 3 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.874 1.135 18909 826 1 3 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.526 1.908 18909 827 1 3 . 1 1 558 558 GLU H H 558 7.831 7.831 7.684 0.147 18909 828 1 3 . 1 1 559 559 GLN N N 559 119.328 119.328 120.045 -0.717 18909 829 1 3 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.284 -0.167 18909 830 1 3 . 1 1 559 559 GLN C C 559 178.155 178.155 178.091 0.064 18909 831 1 3 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.891 0.464 18909 832 1 3 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.529 -0.544 18909 833 1 3 . 1 1 559 559 GLN H H 559 8.608 8.608 8.302 0.306 18909 834 1 3 . 1 1 560 560 LYS N N 560 119.311 119.311 119.926 -0.615 18909 835 1 3 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.223 -0.118 18909 836 1 3 . 1 1 560 560 LYS C C 560 179.880 179.880 179.178 0.702 18909 837 1 3 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.033 0.704 18909 838 1 3 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.032 0.029 18909 839 1 3 . 1 1 560 560 LYS H H 560 8.000 8.000 7.880 0.120 18909 840 1 3 . 1 1 561 561 LEU N N 561 120.026 120.026 120.340 -0.314 18909 841 1 3 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.076 0.050 18909 842 1 3 . 1 1 561 561 LEU C C 561 180.452 180.452 179.303 1.149 18909 843 1 3 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.523 0.797 18909 844 1 3 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.739 0.074 18909 845 1 3 . 1 1 561 561 LEU H H 561 7.814 7.814 7.963 -0.149 18909 846 1 3 . 1 1 562 562 LEU N N 562 122.427 122.427 121.378 1.049 18909 847 1 3 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.110 -0.114 18909 848 1 3 . 1 1 562 562 LEU C C 562 177.428 177.428 178.198 -0.770 18909 849 1 3 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.521 -0.092 18909 850 1 3 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.964 -0.097 18909 851 1 3 . 1 1 562 562 LEU H H 562 8.374 8.374 7.879 0.495 18909 852 1 3 . 1 1 563 563 GLU N N 563 117.574 117.574 117.587 -0.013 18909 853 1 3 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.886 -0.047 18909 854 1 3 . 1 1 563 563 GLU C C 563 179.907 179.907 179.259 0.648 18909 855 1 3 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.375 0.770 18909 856 1 3 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.329 0.076 18909 857 1 3 . 1 1 563 563 GLU H H 563 8.541 8.541 8.103 0.438 18909 858 1 3 . 1 1 564 564 GLN N N 564 117.659 117.659 119.355 -1.696 18909 859 1 3 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.025 -0.022 18909 860 1 3 . 1 1 564 564 GLN C C 564 178.490 178.490 177.725 0.765 18909 861 1 3 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.372 0.003 18909 862 1 3 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.289 0.218 18909 863 1 3 . 1 1 564 564 GLN H H 564 8.098 8.098 7.720 0.378 18909 864 1 3 . 1 1 565 565 ALA N N 565 125.117 125.117 122.227 2.890 18909 865 1 3 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.837 0.256 18909 866 1 3 . 1 1 565 565 ALA C C 565 178.681 178.681 179.989 -1.308 18909 867 1 3 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.726 0.598 18909 868 1 3 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.186 1.126 18909 869 1 3 . 1 1 565 565 ALA H H 565 8.270 8.270 7.663 0.607 18909 870 1 3 . 1 1 566 566 LEU N N 566 117.217 117.217 117.821 -0.604 18909 871 1 3 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.801 -0.220 18909 872 1 3 . 1 1 566 566 LEU C C 566 178.409 178.409 179.147 -0.738 18909 873 1 3 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.425 0.132 18909 874 1 3 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.497 0.547 18909 875 1 3 . 1 1 566 566 LEU H H 566 8.170 8.170 8.363 -0.193 18909 876 1 3 . 1 1 567 567 LYS N N 567 115.429 115.429 119.384 -3.955 18909 877 1 3 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.211 -0.283 18909 878 1 3 . 1 1 567 567 LYS C C 567 177.809 177.809 178.069 -0.260 18909 879 1 3 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.593 -0.927 18909 880 1 3 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.656 0.058 18909 881 1 3 . 1 1 567 567 LYS H H 567 6.960 6.960 7.707 -0.747 18909 882 1 3 . 1 1 568 568 THR N N 568 117.847 117.847 115.539 2.308 18909 883 1 3 . 1 1 568 568 THR HA H 568 3.468 3.468 3.936 -0.468 18909 884 1 3 . 1 1 568 568 THR C C 568 173.447 173.447 174.298 -0.851 18909 885 1 3 . 1 1 568 568 THR CA C 568 65.620 65.620 65.471 0.149 18909 886 1 3 . 1 1 568 568 THR CB C 568 69.080 69.080 69.161 -0.081 18909 887 1 3 . 1 1 568 568 THR H H 568 8.024 8.024 7.805 0.219 18909 888 1 3 . 1 1 569 569 TYR N N 569 118.409 118.409 120.373 -1.964 18909 889 1 3 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.750 0.150 18909 890 1 3 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.231 -0.431 18909 891 1 3 . 1 1 569 569 TYR CB C 569 37.265 37.265 36.960 0.305 18909 892 1 3 . 1 1 569 569 TYR H H 569 7.690 7.690 7.455 0.235 18909 893 1 3 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.375 0.132 18909 894 1 3 . 1 1 570 570 PRO C C 570 177.728 177.728 177.914 -0.186 18909 895 1 3 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.577 -0.280 18909 896 1 3 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.678 0.894 18909 897 1 3 . 1 1 571 571 VAL N N 571 120.230 120.230 120.258 -0.028 18909 898 1 3 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.774 -0.307 18909 899 1 3 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.256 0.958 18909 900 1 3 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.079 -0.044 18909 901 1 3 . 1 1 571 571 VAL H H 571 8.601 8.601 8.312 0.289 18909 902 1 3 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.708 -0.231 18909 903 1 3 . 1 1 572 572 ASN C C 572 175.194 175.194 175.363 -0.169 18909 904 1 3 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.890 0.290 18909 905 1 3 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.537 -1.573 18909 906 1 3 . 1 1 573 573 THR N N 573 119.345 119.345 117.623 1.722 18909 907 1 3 . 1 1 573 573 THR HA H 573 4.255 4.255 4.623 -0.368 18909 908 1 3 . 1 1 573 573 THR CA C 573 62.108 62.108 60.851 1.257 18909 909 1 3 . 1 1 573 573 THR CB C 573 70.852 70.852 69.283 1.569 18909 910 1 3 . 1 1 573 573 THR H H 573 7.721 7.721 7.453 0.268 18909 911 1 3 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.413 -0.127 18909 912 1 3 . 1 1 574 574 PRO C C 574 176.938 176.938 176.812 0.126 18909 913 1 3 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.302 -0.915 18909 914 1 3 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.001 -0.281 18909 915 1 3 . 1 1 575 575 GLU N N 575 118.953 118.953 118.142 0.811 18909 916 1 3 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.537 -0.493 18909 917 1 3 . 1 1 575 575 GLU C C 575 176.475 176.475 176.752 -0.277 18909 918 1 3 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.181 1.777 18909 919 1 3 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.441 -1.120 18909 920 1 3 . 1 1 575 575 GLU H H 575 9.066 9.066 8.458 0.608 18909 921 1 3 . 1 1 576 576 ARG N N 576 116.246 116.246 121.525 -5.279 18909 922 1 3 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.793 -0.840 18909 923 1 3 . 1 1 576 576 ARG C C 576 177.319 177.319 177.179 0.140 18909 924 1 3 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.635 0.327 18909 925 1 3 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.130 0.977 18909 926 1 3 . 1 1 576 576 ARG H H 576 7.048 7.048 7.398 -0.350 18909 927 1 3 . 1 1 577 577 TRP N N 577 114.935 114.935 116.533 -1.598 18909 928 1 3 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.495 -0.429 18909 929 1 3 . 1 1 577 577 TRP C C 577 177.782 177.782 177.995 -0.213 18909 930 1 3 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.243 1.447 18909 931 1 3 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.895 -0.499 18909 932 1 3 . 1 1 577 577 TRP H H 577 8.238 8.238 8.057 0.181 18909 933 1 3 . 1 1 578 578 LYS N N 578 122.682 122.682 119.509 3.173 18909 934 1 3 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.098 -0.122 18909 935 1 3 . 1 1 578 578 LYS C C 578 178.872 178.872 178.503 0.369 18909 936 1 3 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.192 0.599 18909 937 1 3 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.445 1.269 18909 938 1 3 . 1 1 578 578 LYS H H 578 7.686 7.686 8.170 -0.484 18909 939 1 3 . 1 1 579 579 LYS N N 579 118.732 118.732 119.493 -0.761 18909 940 1 3 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.122 -0.521 18909 941 1 3 . 1 1 579 579 LYS C C 579 179.362 179.362 178.465 0.897 18909 942 1 3 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.196 0.397 18909 943 1 3 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.874 -2.305 18909 944 1 3 . 1 1 579 579 LYS H H 579 7.375 7.375 7.342 0.033 18909 945 1 3 . 1 1 580 580 ILE N N 580 120.281 120.281 119.461 0.820 18909 946 1 3 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.826 -0.415 18909 947 1 3 . 1 1 580 580 ILE C C 580 176.747 176.747 177.456 -0.709 18909 948 1 3 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.534 1.359 18909 949 1 3 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.804 -0.187 18909 950 1 3 . 1 1 580 580 ILE H H 580 8.206 8.206 7.769 0.437 18909 951 1 3 . 1 1 581 581 ALA N N 581 119.004 119.004 122.908 -3.904 18909 952 1 3 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.054 0.155 18909 953 1 3 . 1 1 581 581 ALA C C 581 181.487 181.487 178.363 3.124 18909 954 1 3 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.247 0.104 18909 955 1 3 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.534 -1.347 18909 956 1 3 . 1 1 581 581 ALA H H 581 7.944 7.944 7.800 0.144 18909 957 1 3 . 1 1 582 582 GLU N N 582 117.557 117.557 117.207 0.350 18909 958 1 3 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.180 -0.314 18909 959 1 3 . 1 1 582 582 GLU C C 582 177.659 177.659 177.167 0.492 18909 960 1 3 . 1 1 582 582 GLU CA C 582 58.613 58.613 57.979 0.634 18909 961 1 3 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.505 -0.282 18909 962 1 3 . 1 1 582 582 GLU H H 582 7.722 7.722 7.696 0.026 18909 963 1 3 . 1 1 583 583 ALA N N 583 120.247 120.247 120.755 -0.508 18909 964 1 3 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.460 -0.130 18909 965 1 3 . 1 1 583 583 ALA C C 583 176.311 176.311 177.316 -1.005 18909 966 1 3 . 1 1 583 583 ALA CA C 583 52.533 52.533 52.920 -0.388 18909 967 1 3 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.937 -1.523 18909 968 1 3 . 1 1 583 583 ALA H H 583 7.486 7.486 7.376 0.110 18909 969 1 3 . 1 1 584 584 VAL N N 584 120.230 120.230 120.800 -0.570 18909 970 1 3 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.554 -0.132 18909 971 1 3 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.736 0.594 18909 972 1 3 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.059 -1.378 18909 973 1 3 . 1 1 584 584 VAL H H 584 7.486 7.486 7.882 -0.396 18909 974 1 3 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.642 -0.407 18909 975 1 3 . 1 1 585 585 PRO C C 585 178.000 178.000 178.147 -0.147 18909 976 1 3 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.937 1.158 18909 977 1 3 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.259 -0.593 18909 978 1 3 . 1 1 586 586 GLY N N 586 111.258 111.258 109.897 1.361 18909 979 1 3 . 1 1 586 586 GLY C C 586 174.077 174.077 174.056 0.021 18909 980 1 3 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.198 0.020 18909 981 1 3 . 1 1 586 586 GLY H H 586 8.470 8.470 8.587 -0.117 18909 982 1 3 . 1 1 587 587 ARG N N 587 118.885 118.885 122.993 -4.108 18909 983 1 3 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.516 0.372 18909 984 1 3 . 1 1 587 587 ARG C C 587 175.875 175.875 176.347 -0.472 18909 985 1 3 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.899 -1.572 18909 986 1 3 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.465 1.895 18909 987 1 3 . 1 1 587 587 ARG H H 587 7.588 7.588 7.370 0.218 18909 988 1 3 . 1 1 588 588 THR N N 588 111.905 111.905 115.953 -4.048 18909 989 1 3 . 1 1 588 588 THR HA H 588 4.543 4.543 4.534 0.009 18909 990 1 3 . 1 1 588 588 THR C C 588 176.502 176.502 175.582 0.920 18909 991 1 3 . 1 1 588 588 THR CA C 588 60.335 60.335 60.751 -0.416 18909 992 1 3 . 1 1 588 588 THR CB C 588 72.376 72.376 70.260 2.116 18909 993 1 3 . 1 1 588 588 THR H H 588 8.919 8.919 8.581 0.338 18909 994 1 3 . 1 1 589 589 LYS N N 589 122.529 122.529 120.403 2.126 18909 995 1 3 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.178 -0.242 18909 996 1 3 . 1 1 589 589 LYS C C 589 177.945 177.945 178.484 -0.539 18909 997 1 3 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.092 2.089 18909 998 1 3 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.636 0.561 18909 999 1 3 . 1 1 589 589 LYS H H 589 9.076 9.076 8.631 0.445 18909 1000 1 3 . 1 1 590 590 LYS N N 590 118.443 118.443 116.640 1.803 18909 1001 1 3 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.969 -0.100 18909 1002 1 3 . 1 1 590 590 LYS C C 590 178.888 178.888 177.791 1.097 18909 1003 1 3 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.086 0.734 18909 1004 1 3 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.835 0.524 18909 1005 1 3 . 1 1 590 590 LYS H H 590 8.199 8.199 8.255 -0.056 18909 1006 1 3 . 1 1 591 591 ASP N N 591 120.281 120.281 121.538 -1.257 18909 1007 1 3 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.649 -0.308 18909 1008 1 3 . 1 1 591 591 ASP C C 591 179.771 179.771 178.537 1.234 18909 1009 1 3 . 1 1 591 591 ASP CA C 591 57.258 57.258 56.737 0.521 18909 1010 1 3 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.425 1.333 18909 1011 1 3 . 1 1 591 591 ASP H H 591 7.806 7.806 7.928 -0.122 18909 1012 1 3 . 1 1 592 592 CYS N N 592 118.153 118.153 119.116 -0.963 18909 1013 1 3 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.572 -0.256 18909 1014 1 3 . 1 1 592 592 CYS C C 592 175.773 175.773 176.972 -1.199 18909 1015 1 3 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.184 1.755 18909 1016 1 3 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.452 -0.404 18909 1017 1 3 . 1 1 592 592 CYS H H 592 8.551 8.551 8.062 0.489 18909 1018 1 3 . 1 1 593 593 MET N N 593 119.107 119.107 119.875 -0.768 18909 1019 1 3 . 1 1 593 593 MET HA H 593 3.011 3.011 3.616 -0.605 18909 1020 1 3 . 1 1 593 593 MET C C 593 178.256 178.256 178.071 0.185 18909 1021 1 3 . 1 1 593 593 MET CA C 593 59.546 59.546 59.550 -0.004 18909 1022 1 3 . 1 1 593 593 MET CB C 593 33.099 33.099 32.017 1.082 18909 1023 1 3 . 1 1 593 593 MET H H 593 8.226 8.226 8.275 -0.049 18909 1024 1 3 . 1 1 594 594 LYS N N 594 120.230 120.230 118.910 1.320 18909 1025 1 3 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.978 -0.097 18909 1026 1 3 . 1 1 594 594 LYS C C 594 178.396 178.396 179.106 -0.710 18909 1027 1 3 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.803 -0.448 18909 1028 1 3 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.135 0.385 18909 1029 1 3 . 1 1 594 594 LYS H H 594 7.947 7.947 7.578 0.369 18909 1030 1 3 . 1 1 595 595 ARG N N 595 119.498 119.498 120.023 -0.525 18909 1031 1 3 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.904 -0.041 18909 1032 1 3 . 1 1 595 595 ARG C C 595 177.728 177.728 178.257 -0.529 18909 1033 1 3 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.339 -1.381 18909 1034 1 3 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.289 0.143 18909 1035 1 3 . 1 1 595 595 ARG H H 595 7.964 7.964 8.087 -0.123 18909 1036 1 3 . 1 1 596 596 TYR N N 596 118.375 118.375 120.499 -2.124 18909 1037 1 3 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.110 -0.033 18909 1038 1 3 . 1 1 596 596 TYR C C 596 176.072 176.072 177.325 -1.253 18909 1039 1 3 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.495 -0.276 18909 1040 1 3 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.492 0.705 18909 1041 1 3 . 1 1 596 596 TYR H H 596 8.161 8.161 8.154 0.007 18909 1042 1 3 . 1 1 597 597 LYS N N 597 117.932 117.932 118.866 -0.934 18909 1043 1 3 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.594 -0.011 18909 1044 1 3 . 1 1 597 597 LYS C C 597 178.941 178.941 178.784 0.157 18909 1045 1 3 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.726 -0.184 18909 1046 1 3 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.179 -0.177 18909 1047 1 3 . 1 1 597 597 LYS H H 597 7.709 7.709 8.076 -0.367 18909 1048 1 3 . 1 1 598 598 GLU N N 598 118.153 118.153 118.684 -0.531 18909 1049 1 3 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.055 -0.188 18909 1050 1 3 . 1 1 598 598 GLU C C 598 179.389 179.389 179.359 0.030 18909 1051 1 3 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.530 0.444 18909 1052 1 3 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.087 0.318 18909 1053 1 3 . 1 1 598 598 GLU H H 598 7.709 7.709 7.815 -0.106 18909 1054 1 3 . 1 1 599 599 LEU N N 599 121.286 121.286 120.297 0.989 18909 1055 1 3 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.914 0.069 18909 1056 1 3 . 1 1 599 599 LEU C C 599 179.658 179.658 179.123 0.535 18909 1057 1 3 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.947 -0.172 18909 1058 1 3 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.574 -0.224 18909 1059 1 3 . 1 1 599 599 LEU H H 599 8.044 8.044 8.073 -0.029 18909 1060 1 3 . 1 1 600 600 VAL N N 600 119.583 119.583 118.373 1.210 18909 1061 1 3 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.577 -0.091 18909 1062 1 3 . 1 1 600 600 VAL C C 600 178.899 178.899 178.491 0.408 18909 1063 1 3 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.335 -0.279 18909 1064 1 3 . 1 1 600 600 VAL CB C 600 31.570 31.570 30.805 0.765 18909 1065 1 3 . 1 1 600 600 VAL H H 600 7.998 7.998 7.928 0.070 18909 1066 1 3 . 1 1 601 601 GLU N N 601 119.073 119.073 119.734 -0.661 18909 1067 1 3 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.058 -0.123 18909 1068 1 3 . 1 1 601 601 GLU C C 601 178.931 178.931 179.382 -0.451 18909 1069 1 3 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.177 -0.530 18909 1070 1 3 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.464 -0.427 18909 1071 1 3 . 1 1 601 601 GLU H H 601 7.795 7.795 7.934 -0.139 18909 1072 1 3 . 1 1 602 602 MET N N 602 119.771 119.771 119.323 0.448 18909 1073 1 3 . 1 1 602 602 MET HA H 602 4.153 4.153 4.198 -0.045 18909 1074 1 3 . 1 1 602 602 MET C C 602 178.353 178.353 178.426 -0.073 18909 1075 1 3 . 1 1 602 602 MET CA C 602 58.484 58.484 59.508 -1.024 18909 1076 1 3 . 1 1 602 602 MET CB C 602 32.433 32.433 32.984 -0.551 18909 1077 1 3 . 1 1 602 602 MET H H 602 7.910 7.910 8.314 -0.404 18909 1078 1 3 . 1 1 603 603 VAL N N 603 120.332 120.332 119.753 0.579 18909 1079 1 3 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.684 -0.003 18909 1080 1 3 . 1 1 603 603 VAL C C 603 178.203 178.203 177.407 0.796 18909 1081 1 3 . 1 1 603 603 VAL CA C 603 65.588 65.588 65.534 0.054 18909 1082 1 3 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.458 0.307 18909 1083 1 3 . 1 1 603 603 VAL H H 603 7.792 7.792 7.870 -0.078 18909 1084 1 3 . 1 1 604 604 LYS N N 604 121.047 121.047 120.130 0.917 18909 1085 1 3 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.018 -0.047 18909 1086 1 3 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.587 -0.720 18909 1087 1 3 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.126 0.617 18909 1088 1 3 . 1 1 604 604 LYS H H 604 7.855 7.855 7.881 -0.026 18909 1089 1 3 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.069 0.098 18909 1090 1 3 . 1 1 605 605 ALA C C 605 179.644 179.644 179.606 0.038 18909 1091 1 3 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.221 -1.150 18909 1092 1 3 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.178 0.208 18909 1093 1 3 . 1 1 606 606 LYS N N 606 120.077 120.077 117.851 2.226 18909 1094 1 3 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.987 0.105 18909 1095 1 3 . 1 1 606 606 LYS C C 606 178.218 178.218 178.564 -0.346 18909 1096 1 3 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.471 -1.478 18909 1097 1 3 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.301 0.032 18909 1098 1 3 . 1 1 606 606 LYS H H 606 7.967 7.967 7.858 0.109 18909 1099 1 3 . 1 1 607 607 LYS N N 607 120.979 120.979 120.192 0.787 18909 1100 1 3 . 1 1 607 607 LYS HA H 607 4.105 4.105 3.970 0.135 18909 1101 1 3 . 1 1 607 607 LYS C C 607 177.864 177.864 178.674 -0.810 18909 1102 1 3 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.372 -1.379 18909 1103 1 3 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.384 0.112 18909 1104 1 3 . 1 1 607 607 LYS H H 607 8.013 8.013 7.758 0.255 18909 1105 1 3 . 1 1 608 608 ALA N N 608 122.801 122.801 121.143 1.658 18909 1106 1 3 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.033 0.127 18909 1107 1 3 . 1 1 608 608 ALA C C 608 179.035 179.035 179.344 -0.309 18909 1108 1 3 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.987 -1.243 18909 1109 1 3 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.228 0.212 18909 1110 1 3 . 1 1 608 608 ALA H H 608 8.034 8.034 7.969 0.065 18909 1111 1 3 . 1 1 609 609 ALA N N 609 121.524 121.524 121.280 0.244 18909 1112 1 3 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.977 0.217 18909 1113 1 3 . 1 1 609 609 ALA C C 609 179.062 179.062 179.834 -0.772 18909 1114 1 3 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.704 -1.069 18909 1115 1 3 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.322 0.173 18909 1116 1 3 . 1 1 609 609 ALA H H 609 7.930 7.930 7.599 0.331 18909 1117 1 3 . 1 1 610 610 GLN N N 610 118.289 118.289 117.265 1.024 18909 1118 1 3 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.017 0.132 18909 1119 1 3 . 1 1 610 610 GLN C C 610 177.230 177.230 178.644 -1.414 18909 1120 1 3 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.596 -1.556 18909 1121 1 3 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.438 0.490 18909 1122 1 3 . 1 1 610 610 GLN H H 610 7.996 7.996 8.155 -0.159 18909 1123 1 3 . 1 1 611 611 GLU N N 611 120.690 120.690 120.313 0.377 18909 1124 1 3 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.063 0.035 18909 1125 1 3 . 1 1 611 611 GLU C C 611 177.237 177.237 178.975 -1.738 18909 1126 1 3 . 1 1 611 611 GLU CA C 611 57.775 57.775 58.939 -1.164 18909 1127 1 3 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.503 0.351 18909 1128 1 3 . 1 1 611 611 GLU H H 611 8.156 8.156 8.158 -0.002 18909 1129 1 3 . 1 1 612 612 GLN N N 612 119.771 119.771 119.296 0.475 18909 1130 1 3 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.105 0.081 18909 1131 1 3 . 1 1 612 612 GLN C C 612 176.949 176.949 178.842 -1.893 18909 1132 1 3 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.869 -1.924 18909 1133 1 3 . 1 1 612 612 GLN CB C 612 28.887 28.887 29.031 -0.144 18909 1134 1 3 . 1 1 612 612 GLN H H 612 8.041 8.041 7.870 0.171 18909 1135 1 3 . 1 1 613 613 VAL N N 613 120.724 120.724 120.246 0.478 18909 1136 1 3 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.723 0.178 18909 1137 1 3 . 1 1 613 613 VAL C C 613 177.118 177.118 177.904 -0.786 18909 1138 1 3 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.416 -2.703 18909 1139 1 3 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.288 0.863 18909 1140 1 3 . 1 1 613 613 VAL H H 613 7.857 7.857 7.931 -0.074 18909 1141 1 3 . 1 1 614 614 LEU N N 614 124.095 124.095 121.127 2.968 18909 1142 1 3 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.996 0.205 18909 1143 1 3 . 1 1 614 614 LEU C C 614 177.918 177.918 178.157 -0.239 18909 1144 1 3 . 1 1 614 614 LEU CA C 614 56.032 56.032 58.297 -2.265 18909 1145 1 3 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.576 0.509 18909 1146 1 3 . 1 1 614 614 LEU H H 614 8.105 8.105 8.072 0.033 18909 1147 1 3 . 1 1 615 615 ASN N N 615 118.783 118.783 117.732 1.051 18909 1148 1 3 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.364 0.184 18909 1149 1 3 . 1 1 615 615 ASN C C 615 175.745 175.745 177.575 -1.830 18909 1150 1 3 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.548 -2.423 18909 1151 1 3 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.676 -0.089 18909 1152 1 3 . 1 1 615 615 ASN H H 615 8.282 8.282 8.109 0.173 18909 1153 1 3 . 1 1 616 616 ALA N N 616 123.857 123.857 122.516 1.341 18909 1154 1 3 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.069 0.154 18909 1155 1 3 . 1 1 616 616 ALA C C 616 178.327 178.327 179.636 -1.309 18909 1156 1 3 . 1 1 616 616 ALA CA C 616 53.280 53.280 55.158 -1.878 18909 1157 1 3 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.140 0.736 18909 1158 1 3 . 1 1 616 616 ALA H H 616 8.098 8.098 8.061 0.037 18909 1159 1 3 . 1 1 617 617 SER N N 617 114.101 114.101 114.388 -0.287 18909 1160 1 3 . 1 1 617 617 SER HA H 617 4.337 4.337 4.156 0.181 18909 1161 1 3 . 1 1 617 617 SER C C 617 178.463 178.463 176.329 2.134 18909 1162 1 3 . 1 1 617 617 SER CA C 617 58.865 58.865 61.380 -2.515 18909 1163 1 3 . 1 1 617 617 SER CB C 617 63.659 63.659 63.055 0.604 18909 1164 1 3 . 1 1 617 617 SER H H 617 8.098 8.098 7.988 0.110 18909 1165 1 3 . 1 1 618 618 ARG N N 618 122.410 122.410 120.012 2.398 18909 1166 1 3 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.174 0.093 18909 1167 1 3 . 1 1 618 618 ARG C C 618 175.902 175.902 177.837 -1.935 18909 1168 1 3 . 1 1 618 618 ARG CA C 618 56.195 56.195 58.339 -2.144 18909 1169 1 3 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.459 0.145 18909 1170 1 3 . 1 1 618 618 ARG H H 618 8.012 8.012 7.909 0.103 18909 1171 1 3 . 1 1 619 619 ALA N N 619 124.555 124.555 121.739 2.816 18909 1172 1 3 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.270 -0.042 18909 1173 1 3 . 1 1 619 619 ALA C C 619 177.455 177.455 177.453 0.002 18909 1174 1 3 . 1 1 619 619 ALA CA C 619 52.491 52.491 53.391 -0.900 18909 1175 1 3 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.495 -0.292 18909 1176 1 3 . 1 1 619 619 ALA H H 619 8.039 8.039 7.560 0.479 18909 1177 1 3 . 1 1 620 620 LYS N N 620 121.286 121.286 120.208 1.078 18909 1178 1 3 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.356 -0.123 18909 1179 1 3 . 1 1 620 620 LYS C C 620 175.548 175.548 175.406 0.142 18909 1180 1 3 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.922 0.382 18909 1181 1 3 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.060 -0.086 18909 1182 1 3 . 1 1 620 620 LYS H H 620 8.139 8.139 7.906 0.233 18909 1183 1 4 . 1 1 552 552 THR N N 552 120.945 120.945 120.715 0.230 18909 1184 1 4 . 1 1 552 552 THR HA H 552 4.505 4.505 4.449 0.056 18909 1185 1 4 . 1 1 552 552 THR CA C 552 59.439 59.439 59.813 -0.374 18909 1186 1 4 . 1 1 552 552 THR CB C 552 69.599 69.599 68.706 0.893 18909 1187 1 4 . 1 1 552 552 THR H H 552 8.265 8.265 7.868 0.397 18909 1188 1 4 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.302 0.183 18909 1189 1 4 . 1 1 553 553 PRO C C 553 176.938 176.938 176.996 -0.058 18909 1190 1 4 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.236 0.878 18909 1191 1 4 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.472 -0.288 18909 1192 1 4 . 1 1 554 554 TRP N N 554 124.095 124.095 121.300 2.795 18909 1193 1 4 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.474 -0.133 18909 1194 1 4 . 1 1 554 554 TRP C C 554 178.191 178.191 176.446 1.745 18909 1195 1 4 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.247 1.237 18909 1196 1 4 . 1 1 554 554 TRP CB C 554 28.356 28.356 27.896 0.460 18909 1197 1 4 . 1 1 554 554 TRP H H 554 8.989 8.989 8.465 0.524 18909 1198 1 4 . 1 1 555 555 THR N N 555 115.804 115.804 115.964 -0.160 18909 1199 1 4 . 1 1 555 555 THR HA H 555 4.653 4.653 4.372 0.281 18909 1200 1 4 . 1 1 555 555 THR C C 555 176.011 176.011 175.945 0.066 18909 1201 1 4 . 1 1 555 555 THR CA C 555 60.145 60.145 62.025 -1.880 18909 1202 1 4 . 1 1 555 555 THR CB C 555 71.749 71.749 70.172 1.577 18909 1203 1 4 . 1 1 555 555 THR H H 555 8.800 8.800 7.930 0.870 18909 1204 1 4 . 1 1 556 556 THR N N 556 116.791 116.791 116.452 0.339 18909 1205 1 4 . 1 1 556 556 THR HA H 556 3.934 3.934 3.936 -0.002 18909 1206 1 4 . 1 1 556 556 THR C C 556 176.992 176.992 176.420 0.572 18909 1207 1 4 . 1 1 556 556 THR CA C 556 66.329 66.329 67.117 -0.788 18909 1208 1 4 . 1 1 556 556 THR CB C 556 68.616 68.616 68.672 -0.056 18909 1209 1 4 . 1 1 556 556 THR H H 556 8.866 8.866 8.573 0.293 18909 1210 1 4 . 1 1 557 557 GLU N N 557 121.303 121.303 120.804 0.499 18909 1211 1 4 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.150 -0.144 18909 1212 1 4 . 1 1 557 557 GLU C C 557 179.310 179.310 178.949 0.361 18909 1213 1 4 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.321 0.905 18909 1214 1 4 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.770 0.385 18909 1215 1 4 . 1 1 557 557 GLU H H 557 8.538 8.538 8.603 -0.065 18909 1216 1 4 . 1 1 558 558 GLU N N 558 119.737 119.737 119.765 -0.028 18909 1217 1 4 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.060 -0.145 18909 1218 1 4 . 1 1 558 558 GLU C C 558 178.844 178.844 179.431 -0.587 18909 1219 1 4 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.361 0.648 18909 1220 1 4 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.034 2.400 18909 1221 1 4 . 1 1 558 558 GLU H H 558 7.831 7.831 7.716 0.115 18909 1222 1 4 . 1 1 559 559 GLN N N 559 119.328 119.328 118.342 0.986 18909 1223 1 4 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.529 -0.412 18909 1224 1 4 . 1 1 559 559 GLN C C 559 178.155 178.155 178.324 -0.169 18909 1225 1 4 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.305 1.050 18909 1226 1 4 . 1 1 559 559 GLN CB C 559 27.985 27.985 29.049 -1.064 18909 1227 1 4 . 1 1 559 559 GLN H H 559 8.608 8.608 8.206 0.402 18909 1228 1 4 . 1 1 560 560 LYS N N 560 119.311 119.311 119.851 -0.540 18909 1229 1 4 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.288 -0.183 18909 1230 1 4 . 1 1 560 560 LYS C C 560 179.880 179.880 179.243 0.637 18909 1231 1 4 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.046 0.691 18909 1232 1 4 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.983 0.078 18909 1233 1 4 . 1 1 560 560 LYS H H 560 8.000 8.000 7.850 0.150 18909 1234 1 4 . 1 1 561 561 LEU N N 561 120.026 120.026 120.988 -0.962 18909 1235 1 4 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.143 -0.017 18909 1236 1 4 . 1 1 561 561 LEU C C 561 180.452 180.452 179.075 1.377 18909 1237 1 4 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.527 0.793 18909 1238 1 4 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.813 0.000 18909 1239 1 4 . 1 1 561 561 LEU H H 561 7.814 7.814 8.133 -0.319 18909 1240 1 4 . 1 1 562 562 LEU N N 562 122.427 122.427 121.801 0.626 18909 1241 1 4 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.114 -0.118 18909 1242 1 4 . 1 1 562 562 LEU C C 562 177.428 177.428 178.635 -1.207 18909 1243 1 4 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.582 -0.153 18909 1244 1 4 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.574 0.293 18909 1245 1 4 . 1 1 562 562 LEU H H 562 8.374 8.374 7.846 0.528 18909 1246 1 4 . 1 1 563 563 GLU N N 563 117.574 117.574 117.941 -0.367 18909 1247 1 4 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.922 -0.083 18909 1248 1 4 . 1 1 563 563 GLU C C 563 179.907 179.907 178.972 0.935 18909 1249 1 4 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.540 0.605 18909 1250 1 4 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.229 0.176 18909 1251 1 4 . 1 1 563 563 GLU H H 563 8.541 8.541 8.045 0.496 18909 1252 1 4 . 1 1 564 564 GLN N N 564 117.659 117.659 119.507 -1.848 18909 1253 1 4 . 1 1 564 564 GLN HA H 564 4.003 4.003 3.969 0.034 18909 1254 1 4 . 1 1 564 564 GLN C C 564 178.490 178.490 177.827 0.663 18909 1255 1 4 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.934 -0.558 18909 1256 1 4 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.527 -0.020 18909 1257 1 4 . 1 1 564 564 GLN H H 564 8.098 8.098 7.879 0.219 18909 1258 1 4 . 1 1 565 565 ALA N N 565 125.117 125.117 121.682 3.435 18909 1259 1 4 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.886 0.207 18909 1260 1 4 . 1 1 565 565 ALA C C 565 178.681 178.681 180.000 -1.319 18909 1261 1 4 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.675 0.650 18909 1262 1 4 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.239 1.073 18909 1263 1 4 . 1 1 565 565 ALA H H 565 8.270 8.270 7.809 0.461 18909 1264 1 4 . 1 1 566 566 LEU N N 566 117.217 117.217 117.757 -0.540 18909 1265 1 4 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.843 -0.262 18909 1266 1 4 . 1 1 566 566 LEU C C 566 178.409 178.409 179.361 -0.952 18909 1267 1 4 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.431 0.126 18909 1268 1 4 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.655 0.389 18909 1269 1 4 . 1 1 566 566 LEU H H 566 8.170 8.170 8.123 0.047 18909 1270 1 4 . 1 1 567 567 LYS N N 567 115.429 115.429 118.280 -2.851 18909 1271 1 4 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.273 -0.345 18909 1272 1 4 . 1 1 567 567 LYS C C 567 177.809 177.809 178.060 -0.251 18909 1273 1 4 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.246 -0.580 18909 1274 1 4 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.271 0.443 18909 1275 1 4 . 1 1 567 567 LYS H H 567 6.960 6.960 7.612 -0.652 18909 1276 1 4 . 1 1 568 568 THR N N 568 117.847 117.847 114.155 3.692 18909 1277 1 4 . 1 1 568 568 THR HA H 568 3.468 3.468 3.931 -0.463 18909 1278 1 4 . 1 1 568 568 THR C C 568 173.447 173.447 174.842 -1.395 18909 1279 1 4 . 1 1 568 568 THR CA C 568 65.620 65.620 64.924 0.696 18909 1280 1 4 . 1 1 568 568 THR CB C 568 69.080 69.080 69.164 -0.084 18909 1281 1 4 . 1 1 568 568 THR H H 568 8.024 8.024 7.651 0.373 18909 1282 1 4 . 1 1 569 569 TYR N N 569 118.409 118.409 120.191 -1.782 18909 1283 1 4 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.879 0.021 18909 1284 1 4 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.260 -0.460 18909 1285 1 4 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.257 0.008 18909 1286 1 4 . 1 1 569 569 TYR H H 569 7.690 7.690 7.460 0.230 18909 1287 1 4 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.417 0.090 18909 1288 1 4 . 1 1 570 570 PRO C C 570 177.728 177.728 177.814 -0.086 18909 1289 1 4 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.277 0.020 18909 1290 1 4 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.157 0.415 18909 1291 1 4 . 1 1 571 571 VAL N N 571 120.230 120.230 120.278 -0.048 18909 1292 1 4 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.714 -0.247 18909 1293 1 4 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.826 0.388 18909 1294 1 4 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.725 0.310 18909 1295 1 4 . 1 1 571 571 VAL H H 571 8.601 8.601 8.489 0.112 18909 1296 1 4 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.683 -0.206 18909 1297 1 4 . 1 1 572 572 ASN C C 572 175.194 175.194 175.594 -0.400 18909 1298 1 4 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.251 -0.071 18909 1299 1 4 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.517 -1.553 18909 1300 1 4 . 1 1 573 573 THR N N 573 119.345 119.345 118.122 1.223 18909 1301 1 4 . 1 1 573 573 THR HA H 573 4.255 4.255 4.477 -0.222 18909 1302 1 4 . 1 1 573 573 THR CA C 573 62.108 62.108 61.326 0.782 18909 1303 1 4 . 1 1 573 573 THR CB C 573 70.852 70.852 68.999 1.853 18909 1304 1 4 . 1 1 573 573 THR H H 573 7.721 7.721 7.494 0.227 18909 1305 1 4 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.442 -0.156 18909 1306 1 4 . 1 1 574 574 PRO C C 574 176.938 176.938 177.593 -0.655 18909 1307 1 4 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.631 -1.244 18909 1308 1 4 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.040 -0.320 18909 1309 1 4 . 1 1 575 575 GLU N N 575 118.953 118.953 118.156 0.797 18909 1310 1 4 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.348 -0.304 18909 1311 1 4 . 1 1 575 575 GLU C C 575 176.475 176.475 177.398 -0.923 18909 1312 1 4 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.974 0.984 18909 1313 1 4 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.359 -1.038 18909 1314 1 4 . 1 1 575 575 GLU H H 575 9.066 9.066 8.651 0.415 18909 1315 1 4 . 1 1 576 576 ARG N N 576 116.246 116.246 121.490 -5.244 18909 1316 1 4 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.775 -0.822 18909 1317 1 4 . 1 1 576 576 ARG C C 576 177.319 177.319 177.464 -0.145 18909 1318 1 4 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.061 0.901 18909 1319 1 4 . 1 1 576 576 ARG CB C 576 31.107 31.107 29.872 1.235 18909 1320 1 4 . 1 1 576 576 ARG H H 576 7.048 7.048 7.344 -0.296 18909 1321 1 4 . 1 1 577 577 TRP N N 577 114.935 114.935 117.638 -2.703 18909 1322 1 4 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.464 -0.398 18909 1323 1 4 . 1 1 577 577 TRP C C 577 177.782 177.782 178.571 -0.789 18909 1324 1 4 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.285 1.405 18909 1325 1 4 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.869 -0.473 18909 1326 1 4 . 1 1 577 577 TRP H H 577 8.238 8.238 8.046 0.192 18909 1327 1 4 . 1 1 578 578 LYS N N 578 122.682 122.682 118.463 4.219 18909 1328 1 4 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.055 -0.079 18909 1329 1 4 . 1 1 578 578 LYS C C 578 178.872 178.872 178.759 0.113 18909 1330 1 4 . 1 1 578 578 LYS CA C 578 59.791 59.791 58.574 1.217 18909 1331 1 4 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.459 1.255 18909 1332 1 4 . 1 1 578 578 LYS H H 578 7.686 7.686 8.209 -0.523 18909 1333 1 4 . 1 1 579 579 LYS N N 579 118.732 118.732 119.204 -0.472 18909 1334 1 4 . 1 1 579 579 LYS HA H 579 3.601 3.601 3.979 -0.378 18909 1335 1 4 . 1 1 579 579 LYS C C 579 179.362 179.362 178.892 0.470 18909 1336 1 4 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.311 0.282 18909 1337 1 4 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.748 -2.179 18909 1338 1 4 . 1 1 579 579 LYS H H 579 7.375 7.375 7.788 -0.413 18909 1339 1 4 . 1 1 580 580 ILE N N 580 120.281 120.281 120.095 0.186 18909 1340 1 4 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.900 -0.489 18909 1341 1 4 . 1 1 580 580 ILE C C 580 176.747 176.747 177.533 -0.786 18909 1342 1 4 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.776 1.116 18909 1343 1 4 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.791 -0.174 18909 1344 1 4 . 1 1 580 580 ILE H H 580 8.206 8.206 7.905 0.301 18909 1345 1 4 . 1 1 581 581 ALA N N 581 119.004 119.004 122.160 -3.156 18909 1346 1 4 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.108 0.101 18909 1347 1 4 . 1 1 581 581 ALA C C 581 181.487 181.487 178.929 2.558 18909 1348 1 4 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.087 0.264 18909 1349 1 4 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.399 -1.212 18909 1350 1 4 . 1 1 581 581 ALA H H 581 7.944 7.944 7.695 0.249 18909 1351 1 4 . 1 1 582 582 GLU N N 582 117.557 117.557 116.913 0.644 18909 1352 1 4 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.189 -0.323 18909 1353 1 4 . 1 1 582 582 GLU C C 582 177.659 177.659 178.441 -0.782 18909 1354 1 4 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.198 0.415 18909 1355 1 4 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.461 -0.238 18909 1356 1 4 . 1 1 582 582 GLU H H 582 7.722 7.722 7.736 -0.014 18909 1357 1 4 . 1 1 583 583 ALA N N 583 120.247 120.247 121.222 -0.975 18909 1358 1 4 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.330 -0.000 18909 1359 1 4 . 1 1 583 583 ALA C C 583 176.311 176.311 177.930 -1.619 18909 1360 1 4 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.575 -1.042 18909 1361 1 4 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.419 -1.005 18909 1362 1 4 . 1 1 583 583 ALA H H 583 7.486 7.486 7.766 -0.281 18909 1363 1 4 . 1 1 584 584 VAL N N 584 120.230 120.230 119.301 0.929 18909 1364 1 4 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.546 -0.124 18909 1365 1 4 . 1 1 584 584 VAL CA C 584 59.330 59.330 59.014 0.316 18909 1366 1 4 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.249 -1.568 18909 1367 1 4 . 1 1 584 584 VAL H H 584 7.486 7.486 7.649 -0.163 18909 1368 1 4 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.588 -0.353 18909 1369 1 4 . 1 1 585 585 PRO C C 585 178.000 178.000 177.758 0.242 18909 1370 1 4 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.832 1.263 18909 1371 1 4 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.318 -0.652 18909 1372 1 4 . 1 1 586 586 GLY N N 586 111.258 111.258 108.777 2.481 18909 1373 1 4 . 1 1 586 586 GLY C C 586 174.077 174.077 174.656 -0.579 18909 1374 1 4 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.204 0.014 18909 1375 1 4 . 1 1 586 586 GLY H H 586 8.470 8.470 8.630 -0.160 18909 1376 1 4 . 1 1 587 587 ARG N N 587 118.885 118.885 120.558 -1.673 18909 1377 1 4 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.744 0.144 18909 1378 1 4 . 1 1 587 587 ARG C C 587 175.875 175.875 175.450 0.425 18909 1379 1 4 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.679 -1.352 18909 1380 1 4 . 1 1 587 587 ARG CB C 587 32.360 32.360 31.639 0.721 18909 1381 1 4 . 1 1 587 587 ARG H H 587 7.588 7.588 7.654 -0.066 18909 1382 1 4 . 1 1 588 588 THR N N 588 111.905 111.905 112.663 -0.758 18909 1383 1 4 . 1 1 588 588 THR HA H 588 4.543 4.543 4.658 -0.115 18909 1384 1 4 . 1 1 588 588 THR C C 588 176.502 176.502 175.277 1.225 18909 1385 1 4 . 1 1 588 588 THR CA C 588 60.335 60.335 60.191 0.144 18909 1386 1 4 . 1 1 588 588 THR CB C 588 72.376 72.376 70.794 1.582 18909 1387 1 4 . 1 1 588 588 THR H H 588 8.919 8.919 8.245 0.674 18909 1388 1 4 . 1 1 589 589 LYS N N 589 122.529 122.529 122.065 0.464 18909 1389 1 4 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.151 -0.215 18909 1390 1 4 . 1 1 589 589 LYS C C 589 177.945 177.945 178.492 -0.547 18909 1391 1 4 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.723 1.458 18909 1392 1 4 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.990 0.207 18909 1393 1 4 . 1 1 589 589 LYS H H 589 9.076 9.076 8.683 0.393 18909 1394 1 4 . 1 1 590 590 LYS N N 590 118.443 118.443 116.752 1.691 18909 1395 1 4 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.964 -0.095 18909 1396 1 4 . 1 1 590 590 LYS C C 590 178.888 178.888 178.357 0.531 18909 1397 1 4 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.169 0.650 18909 1398 1 4 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.754 0.606 18909 1399 1 4 . 1 1 590 590 LYS H H 590 8.199 8.199 8.257 -0.058 18909 1400 1 4 . 1 1 591 591 ASP N N 591 120.281 120.281 121.368 -1.087 18909 1401 1 4 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.732 -0.391 18909 1402 1 4 . 1 1 591 591 ASP C C 591 179.771 179.771 178.697 1.074 18909 1403 1 4 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.527 -0.269 18909 1404 1 4 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.837 0.921 18909 1405 1 4 . 1 1 591 591 ASP H H 591 7.806 7.806 7.870 -0.064 18909 1406 1 4 . 1 1 592 592 CYS N N 592 118.153 118.153 118.833 -0.680 18909 1407 1 4 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.429 -0.113 18909 1408 1 4 . 1 1 592 592 CYS C C 592 175.773 175.773 176.546 -0.773 18909 1409 1 4 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.722 1.217 18909 1410 1 4 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.194 -0.146 18909 1411 1 4 . 1 1 592 592 CYS H H 592 8.551 8.551 8.038 0.513 18909 1412 1 4 . 1 1 593 593 MET N N 593 119.107 119.107 119.586 -0.479 18909 1413 1 4 . 1 1 593 593 MET HA H 593 3.011 3.011 3.626 -0.615 18909 1414 1 4 . 1 1 593 593 MET C C 593 178.256 178.256 178.032 0.224 18909 1415 1 4 . 1 1 593 593 MET CA C 593 59.546 59.546 59.206 0.340 18909 1416 1 4 . 1 1 593 593 MET CB C 593 33.099 33.099 31.935 1.164 18909 1417 1 4 . 1 1 593 593 MET H H 593 8.226 8.226 8.287 -0.061 18909 1418 1 4 . 1 1 594 594 LYS N N 594 120.230 120.230 120.004 0.226 18909 1419 1 4 . 1 1 594 594 LYS HA H 594 3.881 3.881 4.004 -0.123 18909 1420 1 4 . 1 1 594 594 LYS C C 594 178.396 178.396 178.617 -0.221 18909 1421 1 4 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.119 0.236 18909 1422 1 4 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.040 0.480 18909 1423 1 4 . 1 1 594 594 LYS H H 594 7.947 7.947 8.016 -0.069 18909 1424 1 4 . 1 1 595 595 ARG N N 595 119.498 119.498 119.351 0.147 18909 1425 1 4 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.869 -0.006 18909 1426 1 4 . 1 1 595 595 ARG C C 595 177.728 177.728 178.493 -0.765 18909 1427 1 4 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.467 -1.509 18909 1428 1 4 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.192 0.240 18909 1429 1 4 . 1 1 595 595 ARG H H 595 7.964 7.964 7.945 0.019 18909 1430 1 4 . 1 1 596 596 TYR N N 596 118.375 118.375 120.283 -1.908 18909 1431 1 4 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.133 -0.056 18909 1432 1 4 . 1 1 596 596 TYR C C 596 176.072 176.072 177.356 -1.284 18909 1433 1 4 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.524 -0.305 18909 1434 1 4 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.519 0.678 18909 1435 1 4 . 1 1 596 596 TYR H H 596 8.161 8.161 8.069 0.092 18909 1436 1 4 . 1 1 597 597 LYS N N 597 117.932 117.932 119.263 -1.331 18909 1437 1 4 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.663 -0.080 18909 1438 1 4 . 1 1 597 597 LYS C C 597 178.941 178.941 178.545 0.396 18909 1439 1 4 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.848 -0.306 18909 1440 1 4 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.230 -0.228 18909 1441 1 4 . 1 1 597 597 LYS H H 597 7.709 7.709 8.083 -0.374 18909 1442 1 4 . 1 1 598 598 GLU N N 598 118.153 118.153 118.785 -0.632 18909 1443 1 4 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.025 -0.158 18909 1444 1 4 . 1 1 598 598 GLU C C 598 179.389 179.389 179.289 0.100 18909 1445 1 4 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.656 0.319 18909 1446 1 4 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.064 0.341 18909 1447 1 4 . 1 1 598 598 GLU H H 598 7.709 7.709 7.815 -0.106 18909 1448 1 4 . 1 1 599 599 LEU N N 599 121.286 121.286 120.330 0.956 18909 1449 1 4 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.920 0.063 18909 1450 1 4 . 1 1 599 599 LEU C C 599 179.658 179.658 179.053 0.605 18909 1451 1 4 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.928 -0.153 18909 1452 1 4 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.544 -0.195 18909 1453 1 4 . 1 1 599 599 LEU H H 599 8.044 8.044 8.102 -0.058 18909 1454 1 4 . 1 1 600 600 VAL N N 600 119.583 119.583 118.686 0.897 18909 1455 1 4 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.546 -0.060 18909 1456 1 4 . 1 1 600 600 VAL C C 600 178.899 178.899 178.591 0.308 18909 1457 1 4 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.386 -0.330 18909 1458 1 4 . 1 1 600 600 VAL CB C 600 31.570 31.570 30.661 0.909 18909 1459 1 4 . 1 1 600 600 VAL H H 600 7.998 7.998 7.929 0.069 18909 1460 1 4 . 1 1 601 601 GLU N N 601 119.073 119.073 118.955 0.118 18909 1461 1 4 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.075 -0.140 18909 1462 1 4 . 1 1 601 601 GLU C C 601 178.931 178.931 179.450 -0.519 18909 1463 1 4 . 1 1 601 601 GLU CA C 601 58.647 58.647 58.789 -0.142 18909 1464 1 4 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.117 -0.080 18909 1465 1 4 . 1 1 601 601 GLU H H 601 7.795 7.795 8.039 -0.244 18909 1466 1 4 . 1 1 602 602 MET N N 602 119.771 119.771 118.792 0.979 18909 1467 1 4 . 1 1 602 602 MET HA H 602 4.153 4.153 4.177 -0.024 18909 1468 1 4 . 1 1 602 602 MET C C 602 178.353 178.353 178.708 -0.355 18909 1469 1 4 . 1 1 602 602 MET CA C 602 58.484 58.484 59.541 -1.057 18909 1470 1 4 . 1 1 602 602 MET CB C 602 32.433 32.433 32.996 -0.563 18909 1471 1 4 . 1 1 602 602 MET H H 602 7.910 7.910 8.183 -0.273 18909 1472 1 4 . 1 1 603 603 VAL N N 603 120.332 120.332 115.968 4.364 18909 1473 1 4 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.661 0.020 18909 1474 1 4 . 1 1 603 603 VAL C C 603 178.203 178.203 177.433 0.770 18909 1475 1 4 . 1 1 603 603 VAL CA C 603 65.588 65.588 65.919 -0.331 18909 1476 1 4 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.235 0.530 18909 1477 1 4 . 1 1 603 603 VAL H H 603 7.792 7.792 7.718 0.074 18909 1478 1 4 . 1 1 604 604 LYS N N 604 121.047 121.047 121.123 -0.076 18909 1479 1 4 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.993 -0.022 18909 1480 1 4 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.683 -0.816 18909 1481 1 4 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.163 0.580 18909 1482 1 4 . 1 1 604 604 LYS H H 604 7.855 7.855 8.140 -0.285 18909 1483 1 4 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.094 0.073 18909 1484 1 4 . 1 1 605 605 ALA C C 605 179.644 179.644 179.520 0.124 18909 1485 1 4 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.989 -0.918 18909 1486 1 4 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.159 0.227 18909 1487 1 4 . 1 1 606 606 LYS N N 606 120.077 120.077 118.691 1.386 18909 1488 1 4 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.984 0.108 18909 1489 1 4 . 1 1 606 606 LYS C C 606 178.218 178.218 178.700 -0.482 18909 1490 1 4 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.544 -1.551 18909 1491 1 4 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.418 -0.085 18909 1492 1 4 . 1 1 606 606 LYS H H 606 7.967 7.967 7.978 -0.011 18909 1493 1 4 . 1 1 607 607 LYS N N 607 120.979 120.979 118.579 2.400 18909 1494 1 4 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.047 0.058 18909 1495 1 4 . 1 1 607 607 LYS C C 607 177.864 177.864 179.205 -1.341 18909 1496 1 4 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.699 -0.706 18909 1497 1 4 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.045 0.451 18909 1498 1 4 . 1 1 607 607 LYS H H 607 8.013 8.013 7.786 0.227 18909 1499 1 4 . 1 1 608 608 ALA N N 608 122.801 122.801 120.987 1.814 18909 1500 1 4 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.068 0.092 18909 1501 1 4 . 1 1 608 608 ALA C C 608 179.035 179.035 179.107 -0.072 18909 1502 1 4 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.948 -1.204 18909 1503 1 4 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.244 0.196 18909 1504 1 4 . 1 1 608 608 ALA H H 608 8.034 8.034 8.137 -0.103 18909 1505 1 4 . 1 1 609 609 ALA N N 609 121.524 121.524 121.274 0.250 18909 1506 1 4 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.022 0.172 18909 1507 1 4 . 1 1 609 609 ALA C C 609 179.062 179.062 180.075 -1.013 18909 1508 1 4 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.935 -1.300 18909 1509 1 4 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.294 0.201 18909 1510 1 4 . 1 1 609 609 ALA H H 609 7.930 7.930 7.772 0.158 18909 1511 1 4 . 1 1 610 610 GLN N N 610 118.289 118.289 117.289 1.000 18909 1512 1 4 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.050 0.099 18909 1513 1 4 . 1 1 610 610 GLN C C 610 177.230 177.230 178.433 -1.203 18909 1514 1 4 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.565 -1.525 18909 1515 1 4 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.336 0.592 18909 1516 1 4 . 1 1 610 610 GLN H H 610 7.996 7.996 8.104 -0.108 18909 1517 1 4 . 1 1 611 611 GLU N N 611 120.690 120.690 120.508 0.182 18909 1518 1 4 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.050 0.048 18909 1519 1 4 . 1 1 611 611 GLU C C 611 177.237 177.237 179.032 -1.795 18909 1520 1 4 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.426 -1.651 18909 1521 1 4 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.235 0.619 18909 1522 1 4 . 1 1 611 611 GLU H H 611 8.156 8.156 7.891 0.265 18909 1523 1 4 . 1 1 612 612 GLN N N 612 119.771 119.771 117.608 2.163 18909 1524 1 4 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.146 0.040 18909 1525 1 4 . 1 1 612 612 GLN C C 612 176.949 176.949 178.995 -2.046 18909 1526 1 4 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.059 -1.114 18909 1527 1 4 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.324 0.563 18909 1528 1 4 . 1 1 612 612 GLN H H 612 8.041 8.041 7.865 0.176 18909 1529 1 4 . 1 1 613 613 VAL N N 613 120.724 120.724 121.141 -0.417 18909 1530 1 4 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.709 0.192 18909 1531 1 4 . 1 1 613 613 VAL C C 613 177.118 177.118 178.248 -1.130 18909 1532 1 4 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.991 -2.277 18909 1533 1 4 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.704 0.447 18909 1534 1 4 . 1 1 613 613 VAL H H 613 7.857 7.857 7.433 0.424 18909 1535 1 4 . 1 1 614 614 LEU N N 614 124.095 124.095 118.893 5.202 18909 1536 1 4 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.071 0.130 18909 1537 1 4 . 1 1 614 614 LEU C C 614 177.918 177.918 179.547 -1.629 18909 1538 1 4 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.457 -1.425 18909 1539 1 4 . 1 1 614 614 LEU CB C 614 42.085 42.085 40.362 1.723 18909 1540 1 4 . 1 1 614 614 LEU H H 614 8.105 8.105 7.938 0.167 18909 1541 1 4 . 1 1 615 615 ASN N N 615 118.783 118.783 117.590 1.193 18909 1542 1 4 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.419 0.129 18909 1543 1 4 . 1 1 615 615 ASN C C 615 175.745 175.745 176.970 -1.225 18909 1544 1 4 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.441 -2.316 18909 1545 1 4 . 1 1 615 615 ASN CB C 615 38.587 38.587 39.077 -0.490 18909 1546 1 4 . 1 1 615 615 ASN H H 615 8.282 8.282 8.475 -0.193 18909 1547 1 4 . 1 1 616 616 ALA N N 616 123.857 123.857 122.391 1.466 18909 1548 1 4 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.041 0.182 18909 1549 1 4 . 1 1 616 616 ALA C C 616 178.327 178.327 178.748 -0.421 18909 1550 1 4 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.694 -1.414 18909 1551 1 4 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.715 0.161 18909 1552 1 4 . 1 1 616 616 ALA H H 616 8.098 8.098 7.639 0.459 18909 1553 1 4 . 1 1 617 617 SER N N 617 114.101 114.101 112.957 1.144 18909 1554 1 4 . 1 1 617 617 SER HA H 617 4.337 4.337 4.245 0.092 18909 1555 1 4 . 1 1 617 617 SER C C 617 178.463 178.463 175.903 2.560 18909 1556 1 4 . 1 1 617 617 SER CA C 617 58.865 58.865 60.635 -1.770 18909 1557 1 4 . 1 1 617 617 SER CB C 617 63.659 63.659 63.485 0.174 18909 1558 1 4 . 1 1 617 617 SER H H 617 8.098 8.098 7.906 0.192 18909 1559 1 4 . 1 1 618 618 ARG N N 618 122.410 122.410 121.651 0.759 18909 1560 1 4 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.328 -0.061 18909 1561 1 4 . 1 1 618 618 ARG C C 618 175.902 175.902 176.435 -0.533 18909 1562 1 4 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.920 -0.725 18909 1563 1 4 . 1 1 618 618 ARG CB C 618 30.604 30.604 31.199 -0.595 18909 1564 1 4 . 1 1 618 618 ARG H H 618 8.012 8.012 7.474 0.538 18909 1565 1 4 . 1 1 619 619 ALA N N 619 124.555 124.555 122.169 2.386 18909 1566 1 4 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.351 -0.123 18909 1567 1 4 . 1 1 619 619 ALA C C 619 177.455 177.455 177.418 0.037 18909 1568 1 4 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.376 0.116 18909 1569 1 4 . 1 1 619 619 ALA CB C 619 19.203 19.203 17.576 1.627 18909 1570 1 4 . 1 1 619 619 ALA H H 619 8.039 8.039 7.731 0.308 18909 1571 1 4 . 1 1 620 620 LYS N N 620 121.286 121.286 124.172 -2.886 18909 1572 1 4 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.201 0.032 18909 1573 1 4 . 1 1 620 620 LYS C C 620 175.548 175.548 177.021 -1.473 18909 1574 1 4 . 1 1 620 620 LYS CA C 620 56.304 56.304 57.509 -1.205 18909 1575 1 4 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.059 -0.085 18909 1576 1 4 . 1 1 620 620 LYS H H 620 8.139 8.139 8.167 -0.028 18909 1577 1 5 . 1 1 552 552 THR N N 552 120.945 120.945 119.462 1.483 18909 1578 1 5 . 1 1 552 552 THR HA H 552 4.505 4.505 4.478 0.027 18909 1579 1 5 . 1 1 552 552 THR CA C 552 59.439 59.439 59.875 -0.436 18909 1580 1 5 . 1 1 552 552 THR CB C 552 69.599 69.599 69.683 -0.084 18909 1581 1 5 . 1 1 552 552 THR H H 552 8.265 8.265 7.989 0.276 18909 1582 1 5 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.340 0.145 18909 1583 1 5 . 1 1 553 553 PRO C C 553 176.938 176.938 175.766 1.172 18909 1584 1 5 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.344 0.770 18909 1585 1 5 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.278 -0.094 18909 1586 1 5 . 1 1 554 554 TRP N N 554 124.095 124.095 119.724 4.371 18909 1587 1 5 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.522 -0.181 18909 1588 1 5 . 1 1 554 554 TRP C C 554 178.191 178.191 176.879 1.312 18909 1589 1 5 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.573 0.911 18909 1590 1 5 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.494 -0.138 18909 1591 1 5 . 1 1 554 554 TRP H H 554 8.989 8.989 8.336 0.653 18909 1592 1 5 . 1 1 555 555 THR N N 555 115.804 115.804 117.038 -1.234 18909 1593 1 5 . 1 1 555 555 THR HA H 555 4.653 4.653 4.508 0.145 18909 1594 1 5 . 1 1 555 555 THR C C 555 176.011 176.011 175.828 0.183 18909 1595 1 5 . 1 1 555 555 THR CA C 555 60.145 60.145 61.209 -1.064 18909 1596 1 5 . 1 1 555 555 THR CB C 555 71.749 71.749 70.328 1.421 18909 1597 1 5 . 1 1 555 555 THR H H 555 8.800 8.800 8.082 0.718 18909 1598 1 5 . 1 1 556 556 THR N N 556 116.791 116.791 116.237 0.554 18909 1599 1 5 . 1 1 556 556 THR HA H 556 3.934 3.934 4.013 -0.079 18909 1600 1 5 . 1 1 556 556 THR C C 556 176.992 176.992 176.560 0.432 18909 1601 1 5 . 1 1 556 556 THR CA C 556 66.329 66.329 66.791 -0.462 18909 1602 1 5 . 1 1 556 556 THR CB C 556 68.616 68.616 68.505 0.111 18909 1603 1 5 . 1 1 556 556 THR H H 556 8.866 8.866 8.602 0.264 18909 1604 1 5 . 1 1 557 557 GLU N N 557 121.303 121.303 120.803 0.500 18909 1605 1 5 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.127 -0.121 18909 1606 1 5 . 1 1 557 557 GLU C C 557 179.310 179.310 178.713 0.597 18909 1607 1 5 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.227 0.999 18909 1608 1 5 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.948 0.207 18909 1609 1 5 . 1 1 557 557 GLU H H 557 8.538 8.538 8.776 -0.238 18909 1610 1 5 . 1 1 558 558 GLU N N 558 119.737 119.737 119.570 0.167 18909 1611 1 5 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.168 -0.253 18909 1612 1 5 . 1 1 558 558 GLU C C 558 178.844 178.844 179.001 -0.157 18909 1613 1 5 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.757 1.252 18909 1614 1 5 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.683 1.751 18909 1615 1 5 . 1 1 558 558 GLU H H 558 7.831 7.831 7.809 0.022 18909 1616 1 5 . 1 1 559 559 GLN N N 559 119.328 119.328 119.633 -0.305 18909 1617 1 5 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.284 -0.167 18909 1618 1 5 . 1 1 559 559 GLN C C 559 178.155 178.155 177.876 0.279 18909 1619 1 5 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.499 0.856 18909 1620 1 5 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.581 -0.596 18909 1621 1 5 . 1 1 559 559 GLN H H 559 8.608 8.608 8.380 0.228 18909 1622 1 5 . 1 1 560 560 LYS N N 560 119.311 119.311 120.535 -1.224 18909 1623 1 5 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.161 -0.056 18909 1624 1 5 . 1 1 560 560 LYS C C 560 179.880 179.880 178.945 0.935 18909 1625 1 5 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.158 0.579 18909 1626 1 5 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.817 0.245 18909 1627 1 5 . 1 1 560 560 LYS H H 560 8.000 8.000 7.687 0.313 18909 1628 1 5 . 1 1 561 561 LEU N N 561 120.026 120.026 120.712 -0.686 18909 1629 1 5 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.050 0.076 18909 1630 1 5 . 1 1 561 561 LEU C C 561 180.452 180.452 178.854 1.598 18909 1631 1 5 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.527 0.793 18909 1632 1 5 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.787 0.026 18909 1633 1 5 . 1 1 561 561 LEU H H 561 7.814 7.814 7.728 0.086 18909 1634 1 5 . 1 1 562 562 LEU N N 562 122.427 122.427 121.250 1.177 18909 1635 1 5 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.067 -0.071 18909 1636 1 5 . 1 1 562 562 LEU C C 562 177.428 177.428 178.759 -1.331 18909 1637 1 5 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.472 -0.043 18909 1638 1 5 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.349 0.518 18909 1639 1 5 . 1 1 562 562 LEU H H 562 8.374 8.374 7.854 0.520 18909 1640 1 5 . 1 1 563 563 GLU N N 563 117.574 117.574 117.532 0.042 18909 1641 1 5 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.901 -0.062 18909 1642 1 5 . 1 1 563 563 GLU C C 563 179.907 179.907 178.931 0.976 18909 1643 1 5 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.061 1.084 18909 1644 1 5 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.410 -0.005 18909 1645 1 5 . 1 1 563 563 GLU H H 563 8.541 8.541 8.070 0.471 18909 1646 1 5 . 1 1 564 564 GLN N N 564 117.659 117.659 119.289 -1.630 18909 1647 1 5 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.037 -0.034 18909 1648 1 5 . 1 1 564 564 GLN C C 564 178.490 178.490 177.848 0.642 18909 1649 1 5 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.243 0.132 18909 1650 1 5 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.062 0.445 18909 1651 1 5 . 1 1 564 564 GLN H H 564 8.098 8.098 8.106 -0.008 18909 1652 1 5 . 1 1 565 565 ALA N N 565 125.117 125.117 121.970 3.147 18909 1653 1 5 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.865 0.228 18909 1654 1 5 . 1 1 565 565 ALA C C 565 178.681 178.681 179.798 -1.117 18909 1655 1 5 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.681 0.643 18909 1656 1 5 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.140 1.171 18909 1657 1 5 . 1 1 565 565 ALA H H 565 8.270 8.270 7.819 0.451 18909 1658 1 5 . 1 1 566 566 LEU N N 566 117.217 117.217 116.535 0.682 18909 1659 1 5 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.929 -0.348 18909 1660 1 5 . 1 1 566 566 LEU C C 566 178.409 178.409 178.828 -0.419 18909 1661 1 5 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.678 0.879 18909 1662 1 5 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.449 0.595 18909 1663 1 5 . 1 1 566 566 LEU H H 566 8.170 8.170 7.723 0.447 18909 1664 1 5 . 1 1 567 567 LYS N N 567 115.429 115.429 118.801 -3.372 18909 1665 1 5 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.238 -0.310 18909 1666 1 5 . 1 1 567 567 LYS C C 567 177.809 177.809 178.048 -0.239 18909 1667 1 5 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.175 -0.509 18909 1668 1 5 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.046 0.668 18909 1669 1 5 . 1 1 567 567 LYS H H 567 6.960 6.960 7.423 -0.463 18909 1670 1 5 . 1 1 568 568 THR N N 568 117.847 117.847 113.781 4.066 18909 1671 1 5 . 1 1 568 568 THR HA H 568 3.468 3.468 3.953 -0.485 18909 1672 1 5 . 1 1 568 568 THR C C 568 173.447 173.447 174.695 -1.248 18909 1673 1 5 . 1 1 568 568 THR CA C 568 65.620 65.620 64.659 0.961 18909 1674 1 5 . 1 1 568 568 THR CB C 568 69.080 69.080 69.218 -0.138 18909 1675 1 5 . 1 1 568 568 THR H H 568 8.024 8.024 7.803 0.221 18909 1676 1 5 . 1 1 569 569 TYR N N 569 118.409 118.409 120.207 -1.798 18909 1677 1 5 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.871 0.029 18909 1678 1 5 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.174 -0.374 18909 1679 1 5 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.341 -0.076 18909 1680 1 5 . 1 1 569 569 TYR H H 569 7.690 7.690 7.450 0.240 18909 1681 1 5 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.386 0.121 18909 1682 1 5 . 1 1 570 570 PRO C C 570 177.728 177.728 178.201 -0.473 18909 1683 1 5 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.062 0.235 18909 1684 1 5 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.815 0.757 18909 1685 1 5 . 1 1 571 571 VAL N N 571 120.230 120.230 119.850 0.380 18909 1686 1 5 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.611 -0.144 18909 1687 1 5 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.282 0.932 18909 1688 1 5 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.077 -0.042 18909 1689 1 5 . 1 1 571 571 VAL H H 571 8.601 8.601 8.481 0.120 18909 1690 1 5 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.683 -0.206 18909 1691 1 5 . 1 1 572 572 ASN C C 572 175.194 175.194 175.574 -0.380 18909 1692 1 5 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.555 -0.375 18909 1693 1 5 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.518 -1.554 18909 1694 1 5 . 1 1 573 573 THR N N 573 119.345 119.345 117.970 1.375 18909 1695 1 5 . 1 1 573 573 THR HA H 573 4.255 4.255 4.470 -0.215 18909 1696 1 5 . 1 1 573 573 THR CA C 573 62.108 62.108 60.948 1.160 18909 1697 1 5 . 1 1 573 573 THR CB C 573 70.852 70.852 69.219 1.633 18909 1698 1 5 . 1 1 573 573 THR H H 573 7.721 7.721 7.409 0.312 18909 1699 1 5 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.314 -0.028 18909 1700 1 5 . 1 1 574 574 PRO C C 574 176.938 176.938 177.222 -0.284 18909 1701 1 5 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.681 -1.294 18909 1702 1 5 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.935 -0.215 18909 1703 1 5 . 1 1 575 575 GLU N N 575 118.953 118.953 115.787 3.166 18909 1704 1 5 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.367 -0.323 18909 1705 1 5 . 1 1 575 575 GLU C C 575 176.475 176.475 177.795 -1.320 18909 1706 1 5 . 1 1 575 575 GLU CA C 575 56.958 56.958 56.093 0.865 18909 1707 1 5 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.862 -1.541 18909 1708 1 5 . 1 1 575 575 GLU H H 575 9.066 9.066 8.594 0.472 18909 1709 1 5 . 1 1 576 576 ARG N N 576 116.246 116.246 121.495 -5.249 18909 1710 1 5 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.694 -0.741 18909 1711 1 5 . 1 1 576 576 ARG C C 576 177.319 177.319 177.312 0.007 18909 1712 1 5 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.161 0.801 18909 1713 1 5 . 1 1 576 576 ARG CB C 576 31.107 31.107 29.961 1.146 18909 1714 1 5 . 1 1 576 576 ARG H H 576 7.048 7.048 7.407 -0.358 18909 1715 1 5 . 1 1 577 577 TRP N N 577 114.935 114.935 116.235 -1.300 18909 1716 1 5 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.480 -0.414 18909 1717 1 5 . 1 1 577 577 TRP C C 577 177.782 177.782 178.442 -0.660 18909 1718 1 5 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.016 1.674 18909 1719 1 5 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.952 -0.556 18909 1720 1 5 . 1 1 577 577 TRP H H 577 8.238 8.238 8.037 0.201 18909 1721 1 5 . 1 1 578 578 LYS N N 578 122.682 122.682 119.967 2.715 18909 1722 1 5 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.061 -0.085 18909 1723 1 5 . 1 1 578 578 LYS C C 578 178.872 178.872 178.746 0.126 18909 1724 1 5 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.047 0.744 18909 1725 1 5 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.794 0.919 18909 1726 1 5 . 1 1 578 578 LYS H H 578 7.686 7.686 7.819 -0.133 18909 1727 1 5 . 1 1 579 579 LYS N N 579 118.732 118.732 119.859 -1.127 18909 1728 1 5 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.231 -0.630 18909 1729 1 5 . 1 1 579 579 LYS C C 579 179.362 179.362 178.988 0.374 18909 1730 1 5 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.498 0.095 18909 1731 1 5 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.769 -2.200 18909 1732 1 5 . 1 1 579 579 LYS H H 579 7.375 7.375 7.416 -0.041 18909 1733 1 5 . 1 1 580 580 ILE N N 580 120.281 120.281 119.942 0.339 18909 1734 1 5 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.885 -0.474 18909 1735 1 5 . 1 1 580 580 ILE C C 580 176.747 176.747 177.599 -0.852 18909 1736 1 5 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.864 1.028 18909 1737 1 5 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.832 -0.215 18909 1738 1 5 . 1 1 580 580 ILE H H 580 8.206 8.206 7.842 0.364 18909 1739 1 5 . 1 1 581 581 ALA N N 581 119.004 119.004 122.583 -3.579 18909 1740 1 5 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.082 0.127 18909 1741 1 5 . 1 1 581 581 ALA C C 581 181.487 181.487 179.013 2.474 18909 1742 1 5 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.095 0.256 18909 1743 1 5 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.360 -1.173 18909 1744 1 5 . 1 1 581 581 ALA H H 581 7.944 7.944 7.767 0.177 18909 1745 1 5 . 1 1 582 582 GLU N N 582 117.557 117.557 117.711 -0.154 18909 1746 1 5 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.111 -0.245 18909 1747 1 5 . 1 1 582 582 GLU C C 582 177.659 177.659 178.734 -1.075 18909 1748 1 5 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.364 0.249 18909 1749 1 5 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.727 -0.504 18909 1750 1 5 . 1 1 582 582 GLU H H 582 7.722 7.722 7.661 0.061 18909 1751 1 5 . 1 1 583 583 ALA N N 583 120.247 120.247 120.556 -0.309 18909 1752 1 5 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.258 0.071 18909 1753 1 5 . 1 1 583 583 ALA C C 583 176.311 176.311 177.644 -1.333 18909 1754 1 5 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.838 -1.305 18909 1755 1 5 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.055 -0.641 18909 1756 1 5 . 1 1 583 583 ALA H H 583 7.486 7.486 7.577 -0.091 18909 1757 1 5 . 1 1 584 584 VAL N N 584 120.230 120.230 118.969 1.261 18909 1758 1 5 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.517 -0.095 18909 1759 1 5 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.709 0.621 18909 1760 1 5 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.183 -1.502 18909 1761 1 5 . 1 1 584 584 VAL H H 584 7.486 7.486 7.671 -0.185 18909 1762 1 5 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.672 -0.437 18909 1763 1 5 . 1 1 585 585 PRO C C 585 178.000 178.000 178.238 -0.238 18909 1764 1 5 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.836 1.259 18909 1765 1 5 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.143 -0.477 18909 1766 1 5 . 1 1 586 586 GLY N N 586 111.258 111.258 111.926 -0.668 18909 1767 1 5 . 1 1 586 586 GLY C C 586 174.077 174.077 174.395 -0.318 18909 1768 1 5 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.286 -0.069 18909 1769 1 5 . 1 1 586 586 GLY H H 586 8.470 8.470 8.629 -0.159 18909 1770 1 5 . 1 1 587 587 ARG N N 587 118.885 118.885 123.953 -5.068 18909 1771 1 5 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.275 0.613 18909 1772 1 5 . 1 1 587 587 ARG C C 587 175.875 175.875 176.094 -0.219 18909 1773 1 5 . 1 1 587 587 ARG CA C 587 52.327 52.327 54.679 -2.352 18909 1774 1 5 . 1 1 587 587 ARG CB C 587 32.360 32.360 29.745 2.615 18909 1775 1 5 . 1 1 587 587 ARG H H 587 7.588 7.588 7.821 -0.233 18909 1776 1 5 . 1 1 588 588 THR N N 588 111.905 111.905 116.491 -4.586 18909 1777 1 5 . 1 1 588 588 THR HA H 588 4.543 4.543 4.516 0.027 18909 1778 1 5 . 1 1 588 588 THR C C 588 176.502 176.502 175.681 0.821 18909 1779 1 5 . 1 1 588 588 THR CA C 588 60.335 60.335 61.161 -0.826 18909 1780 1 5 . 1 1 588 588 THR CB C 588 72.376 72.376 70.114 2.262 18909 1781 1 5 . 1 1 588 588 THR H H 588 8.919 8.919 8.491 0.428 18909 1782 1 5 . 1 1 589 589 LYS N N 589 122.529 122.529 123.438 -0.909 18909 1783 1 5 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.168 -0.232 18909 1784 1 5 . 1 1 589 589 LYS C C 589 177.945 177.945 178.456 -0.511 18909 1785 1 5 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.285 1.896 18909 1786 1 5 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.858 0.339 18909 1787 1 5 . 1 1 589 589 LYS H H 589 9.076 9.076 8.699 0.377 18909 1788 1 5 . 1 1 590 590 LYS N N 590 118.443 118.443 117.215 1.228 18909 1789 1 5 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.965 -0.096 18909 1790 1 5 . 1 1 590 590 LYS C C 590 178.888 178.888 178.028 0.860 18909 1791 1 5 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.100 0.719 18909 1792 1 5 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.790 0.570 18909 1793 1 5 . 1 1 590 590 LYS H H 590 8.199 8.199 8.334 -0.135 18909 1794 1 5 . 1 1 591 591 ASP N N 591 120.281 120.281 121.399 -1.118 18909 1795 1 5 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.701 -0.360 18909 1796 1 5 . 1 1 591 591 ASP C C 591 179.771 179.771 178.650 1.121 18909 1797 1 5 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.239 0.019 18909 1798 1 5 . 1 1 591 591 ASP CB C 591 41.758 41.758 41.088 0.670 18909 1799 1 5 . 1 1 591 591 ASP H H 591 7.806 7.806 7.899 -0.093 18909 1800 1 5 . 1 1 592 592 CYS N N 592 118.153 118.153 119.394 -1.241 18909 1801 1 5 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.354 -0.038 18909 1802 1 5 . 1 1 592 592 CYS C C 592 175.773 175.773 177.114 -1.341 18909 1803 1 5 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.860 1.079 18909 1804 1 5 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.523 -0.475 18909 1805 1 5 . 1 1 592 592 CYS H H 592 8.551 8.551 7.992 0.559 18909 1806 1 5 . 1 1 593 593 MET N N 593 119.107 119.107 118.910 0.197 18909 1807 1 5 . 1 1 593 593 MET HA H 593 3.011 3.011 4.016 -1.005 18909 1808 1 5 . 1 1 593 593 MET C C 593 178.256 178.256 177.941 0.315 18909 1809 1 5 . 1 1 593 593 MET CA C 593 59.546 59.546 58.934 0.612 18909 1810 1 5 . 1 1 593 593 MET CB C 593 33.099 33.099 32.091 1.008 18909 1811 1 5 . 1 1 593 593 MET H H 593 8.226 8.226 8.306 -0.080 18909 1812 1 5 . 1 1 594 594 LYS N N 594 120.230 120.230 120.665 -0.435 18909 1813 1 5 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.885 -0.004 18909 1814 1 5 . 1 1 594 594 LYS C C 594 178.396 178.396 178.678 -0.282 18909 1815 1 5 . 1 1 594 594 LYS CA C 594 59.355 59.355 60.139 -0.784 18909 1816 1 5 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.492 0.028 18909 1817 1 5 . 1 1 594 594 LYS H H 594 7.947 7.947 8.277 -0.330 18909 1818 1 5 . 1 1 595 595 ARG N N 595 119.498 119.498 118.985 0.513 18909 1819 1 5 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.976 -0.113 18909 1820 1 5 . 1 1 595 595 ARG C C 595 177.728 177.728 178.512 -0.784 18909 1821 1 5 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.367 -1.409 18909 1822 1 5 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.406 0.026 18909 1823 1 5 . 1 1 595 595 ARG H H 595 7.964 7.964 7.885 0.079 18909 1824 1 5 . 1 1 596 596 TYR N N 596 118.375 118.375 120.306 -1.931 18909 1825 1 5 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.266 -0.189 18909 1826 1 5 . 1 1 596 596 TYR C C 596 176.072 176.072 177.215 -1.143 18909 1827 1 5 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.712 0.507 18909 1828 1 5 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.592 0.605 18909 1829 1 5 . 1 1 596 596 TYR H H 596 8.161 8.161 8.089 0.072 18909 1830 1 5 . 1 1 597 597 LYS N N 597 117.932 117.932 119.730 -1.798 18909 1831 1 5 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.760 -0.177 18909 1832 1 5 . 1 1 597 597 LYS C C 597 178.941 178.941 178.808 0.133 18909 1833 1 5 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.836 -0.293 18909 1834 1 5 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.140 -0.138 18909 1835 1 5 . 1 1 597 597 LYS H H 597 7.709 7.709 7.984 -0.275 18909 1836 1 5 . 1 1 598 598 GLU N N 598 118.153 118.153 119.291 -1.138 18909 1837 1 5 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.009 -0.142 18909 1838 1 5 . 1 1 598 598 GLU C C 598 179.389 179.389 179.107 0.282 18909 1839 1 5 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.938 0.036 18909 1840 1 5 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.216 0.189 18909 1841 1 5 . 1 1 598 598 GLU H H 598 7.709 7.709 7.754 -0.045 18909 1842 1 5 . 1 1 599 599 LEU N N 599 121.286 121.286 119.834 1.452 18909 1843 1 5 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.919 0.064 18909 1844 1 5 . 1 1 599 599 LEU C C 599 179.658 179.658 179.315 0.343 18909 1845 1 5 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.999 -0.224 18909 1846 1 5 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.645 -0.295 18909 1847 1 5 . 1 1 599 599 LEU H H 599 8.044 8.044 8.104 -0.060 18909 1848 1 5 . 1 1 600 600 VAL N N 600 119.583 119.583 118.340 1.243 18909 1849 1 5 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.517 -0.031 18909 1850 1 5 . 1 1 600 600 VAL C C 600 178.899 178.899 177.416 1.483 18909 1851 1 5 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.364 -0.308 18909 1852 1 5 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.726 -0.156 18909 1853 1 5 . 1 1 600 600 VAL H H 600 7.998 7.998 7.799 0.199 18909 1854 1 5 . 1 1 601 601 GLU N N 601 119.073 119.073 118.612 0.461 18909 1855 1 5 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.109 -0.174 18909 1856 1 5 . 1 1 601 601 GLU C C 601 178.931 178.931 179.157 -0.226 18909 1857 1 5 . 1 1 601 601 GLU CA C 601 58.647 58.647 58.928 -0.281 18909 1858 1 5 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.655 -0.618 18909 1859 1 5 . 1 1 601 601 GLU H H 601 7.795 7.795 7.598 0.197 18909 1860 1 5 . 1 1 602 602 MET N N 602 119.771 119.771 118.718 1.053 18909 1861 1 5 . 1 1 602 602 MET HA H 602 4.153 4.153 4.267 -0.114 18909 1862 1 5 . 1 1 602 602 MET C C 602 178.353 178.353 178.125 0.228 18909 1863 1 5 . 1 1 602 602 MET CA C 602 58.484 58.484 59.255 -0.771 18909 1864 1 5 . 1 1 602 602 MET CB C 602 32.433 32.433 32.656 -0.223 18909 1865 1 5 . 1 1 602 602 MET H H 602 7.910 7.910 8.358 -0.448 18909 1866 1 5 . 1 1 603 603 VAL N N 603 120.332 120.332 121.611 -1.279 18909 1867 1 5 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.572 0.109 18909 1868 1 5 . 1 1 603 603 VAL C C 603 178.203 178.203 177.869 0.334 18909 1869 1 5 . 1 1 603 603 VAL CA C 603 65.588 65.588 67.055 -1.467 18909 1870 1 5 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.236 0.529 18909 1871 1 5 . 1 1 603 603 VAL H H 603 7.792 7.792 7.772 0.020 18909 1872 1 5 . 1 1 604 604 LYS N N 604 121.047 121.047 119.078 1.969 18909 1873 1 5 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.054 -0.083 18909 1874 1 5 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.422 -0.555 18909 1875 1 5 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.834 0.909 18909 1876 1 5 . 1 1 604 604 LYS H H 604 7.855 7.855 7.654 0.201 18909 1877 1 5 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.110 0.057 18909 1878 1 5 . 1 1 605 605 ALA C C 605 179.644 179.644 179.711 -0.067 18909 1879 1 5 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.029 -0.958 18909 1880 1 5 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.247 0.139 18909 1881 1 5 . 1 1 606 606 LYS N N 606 120.077 120.077 117.924 2.153 18909 1882 1 5 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.013 0.079 18909 1883 1 5 . 1 1 606 606 LYS C C 606 178.218 178.218 178.872 -0.654 18909 1884 1 5 . 1 1 606 606 LYS CA C 606 57.993 57.993 58.973 -0.980 18909 1885 1 5 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.349 -0.016 18909 1886 1 5 . 1 1 606 606 LYS H H 606 7.967 7.967 7.969 -0.002 18909 1887 1 5 . 1 1 607 607 LYS N N 607 120.979 120.979 120.464 0.515 18909 1888 1 5 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.109 -0.004 18909 1889 1 5 . 1 1 607 607 LYS C C 607 177.864 177.864 178.578 -0.714 18909 1890 1 5 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.947 -0.954 18909 1891 1 5 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.133 0.363 18909 1892 1 5 . 1 1 607 607 LYS H H 607 8.013 8.013 7.978 0.035 18909 1893 1 5 . 1 1 608 608 ALA N N 608 122.801 122.801 120.916 1.885 18909 1894 1 5 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.029 0.131 18909 1895 1 5 . 1 1 608 608 ALA C C 608 179.035 179.035 179.088 -0.053 18909 1896 1 5 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.112 -1.368 18909 1897 1 5 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.249 0.191 18909 1898 1 5 . 1 1 608 608 ALA H H 608 8.034 8.034 7.719 0.315 18909 1899 1 5 . 1 1 609 609 ALA N N 609 121.524 121.524 119.513 2.011 18909 1900 1 5 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.074 0.120 18909 1901 1 5 . 1 1 609 609 ALA C C 609 179.062 179.062 180.006 -0.944 18909 1902 1 5 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.559 -0.924 18909 1903 1 5 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.334 0.161 18909 1904 1 5 . 1 1 609 609 ALA H H 609 7.930 7.930 7.694 0.236 18909 1905 1 5 . 1 1 610 610 GLN N N 610 118.289 118.289 117.604 0.685 18909 1906 1 5 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.194 -0.045 18909 1907 1 5 . 1 1 610 610 GLN C C 610 177.230 177.230 178.264 -1.034 18909 1908 1 5 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.488 -1.448 18909 1909 1 5 . 1 1 610 610 GLN CB C 610 28.928 28.928 29.022 -0.094 18909 1910 1 5 . 1 1 610 610 GLN H H 610 7.996 7.996 7.888 0.108 18909 1911 1 5 . 1 1 611 611 GLU N N 611 120.690 120.690 120.186 0.504 18909 1912 1 5 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.033 0.065 18909 1913 1 5 . 1 1 611 611 GLU C C 611 177.237 177.237 179.197 -1.960 18909 1914 1 5 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.542 -1.767 18909 1915 1 5 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.590 0.264 18909 1916 1 5 . 1 1 611 611 GLU H H 611 8.156 8.156 8.065 0.091 18909 1917 1 5 . 1 1 612 612 GLN N N 612 119.771 119.771 117.597 2.174 18909 1918 1 5 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.134 0.052 18909 1919 1 5 . 1 1 612 612 GLN C C 612 176.949 176.949 178.862 -1.913 18909 1920 1 5 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.413 -1.468 18909 1921 1 5 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.266 0.621 18909 1922 1 5 . 1 1 612 612 GLN H H 612 8.041 8.041 7.824 0.217 18909 1923 1 5 . 1 1 613 613 VAL N N 613 120.724 120.724 120.322 0.402 18909 1924 1 5 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.732 0.169 18909 1925 1 5 . 1 1 613 613 VAL C C 613 177.118 177.118 178.139 -1.021 18909 1926 1 5 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.285 -2.571 18909 1927 1 5 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.482 0.669 18909 1928 1 5 . 1 1 613 613 VAL H H 613 7.857 7.857 7.608 0.249 18909 1929 1 5 . 1 1 614 614 LEU N N 614 124.095 124.095 121.396 2.699 18909 1930 1 5 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.249 -0.048 18909 1931 1 5 . 1 1 614 614 LEU C C 614 177.918 177.918 178.725 -0.807 18909 1932 1 5 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.328 -1.296 18909 1933 1 5 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.768 0.317 18909 1934 1 5 . 1 1 614 614 LEU H H 614 8.105 8.105 8.041 0.064 18909 1935 1 5 . 1 1 615 615 ASN N N 615 118.783 118.783 117.945 0.838 18909 1936 1 5 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.446 0.102 18909 1937 1 5 . 1 1 615 615 ASN C C 615 175.745 175.745 176.874 -1.129 18909 1938 1 5 . 1 1 615 615 ASN CA C 615 54.125 54.125 55.659 -1.534 18909 1939 1 5 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.352 0.235 18909 1940 1 5 . 1 1 615 615 ASN H H 615 8.282 8.282 8.371 -0.089 18909 1941 1 5 . 1 1 616 616 ALA N N 616 123.857 123.857 120.880 2.977 18909 1942 1 5 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.321 -0.098 18909 1943 1 5 . 1 1 616 616 ALA C C 616 178.327 178.327 180.019 -1.692 18909 1944 1 5 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.457 -1.177 18909 1945 1 5 . 1 1 616 616 ALA CB C 616 18.876 18.876 19.036 -0.160 18909 1946 1 5 . 1 1 616 616 ALA H H 616 8.098 8.098 7.704 0.394 18909 1947 1 5 . 1 1 617 617 SER N N 617 114.101 114.101 112.871 1.230 18909 1948 1 5 . 1 1 617 617 SER HA H 617 4.337 4.337 4.317 0.020 18909 1949 1 5 . 1 1 617 617 SER C C 617 178.463 178.463 176.144 2.319 18909 1950 1 5 . 1 1 617 617 SER CA C 617 58.865 58.865 59.789 -0.924 18909 1951 1 5 . 1 1 617 617 SER CB C 617 63.659 63.659 63.193 0.466 18909 1952 1 5 . 1 1 617 617 SER H H 617 8.098 8.098 8.169 -0.071 18909 1953 1 5 . 1 1 618 618 ARG N N 618 122.410 122.410 122.624 -0.214 18909 1954 1 5 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.122 0.145 18909 1955 1 5 . 1 1 618 618 ARG C C 618 175.902 175.902 177.397 -1.495 18909 1956 1 5 . 1 1 618 618 ARG CA C 618 56.195 56.195 57.939 -1.744 18909 1957 1 5 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.284 0.320 18909 1958 1 5 . 1 1 618 618 ARG H H 618 8.012 8.012 7.616 0.396 18909 1959 1 5 . 1 1 619 619 ALA N N 619 124.555 124.555 122.777 1.778 18909 1960 1 5 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.354 -0.126 18909 1961 1 5 . 1 1 619 619 ALA C C 619 177.455 177.455 176.921 0.534 18909 1962 1 5 . 1 1 619 619 ALA CA C 619 52.491 52.491 51.292 1.199 18909 1963 1 5 . 1 1 619 619 ALA CB C 619 19.203 19.203 17.544 1.659 18909 1964 1 5 . 1 1 619 619 ALA H H 619 8.039 8.039 7.384 0.655 18909 1965 1 5 . 1 1 620 620 LYS N N 620 121.286 121.286 120.337 0.949 18909 1966 1 5 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.343 -0.110 18909 1967 1 5 . 1 1 620 620 LYS C C 620 175.548 175.548 175.947 -0.399 18909 1968 1 5 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.767 0.536 18909 1969 1 5 . 1 1 620 620 LYS CB C 620 32.974 32.974 32.803 0.171 18909 1970 1 5 . 1 1 620 620 LYS H H 620 8.139 8.139 7.524 0.615 18909 1971 1 6 . 1 1 552 552 THR N N 552 120.945 120.945 120.683 0.262 18909 1972 1 6 . 1 1 552 552 THR HA H 552 4.505 4.505 4.658 -0.153 18909 1973 1 6 . 1 1 552 552 THR CA C 552 59.439 59.439 59.151 0.288 18909 1974 1 6 . 1 1 552 552 THR CB C 552 69.599 69.599 69.921 -0.323 18909 1975 1 6 . 1 1 552 552 THR H H 552 8.265 8.265 7.666 0.599 18909 1976 1 6 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.587 -0.102 18909 1977 1 6 . 1 1 553 553 PRO C C 553 176.938 176.938 176.060 0.878 18909 1978 1 6 . 1 1 553 553 PRO CA C 553 63.114 63.114 61.583 1.531 18909 1979 1 6 . 1 1 553 553 PRO CB C 553 32.184 32.184 33.178 -0.994 18909 1980 1 6 . 1 1 554 554 TRP N N 554 124.095 124.095 119.616 4.479 18909 1981 1 6 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.633 -0.292 18909 1982 1 6 . 1 1 554 554 TRP C C 554 178.191 178.191 177.317 0.874 18909 1983 1 6 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.137 1.347 18909 1984 1 6 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.346 0.011 18909 1985 1 6 . 1 1 554 554 TRP H H 554 8.989 8.989 8.416 0.573 18909 1986 1 6 . 1 1 555 555 THR N N 555 115.804 115.804 117.545 -1.741 18909 1987 1 6 . 1 1 555 555 THR HA H 555 4.653 4.653 4.671 -0.018 18909 1988 1 6 . 1 1 555 555 THR C C 555 176.011 176.011 175.929 0.082 18909 1989 1 6 . 1 1 555 555 THR CA C 555 60.145 60.145 61.063 -0.918 18909 1990 1 6 . 1 1 555 555 THR CB C 555 71.749 71.749 70.748 1.001 18909 1991 1 6 . 1 1 555 555 THR H H 555 8.800 8.800 8.698 0.102 18909 1992 1 6 . 1 1 556 556 THR N N 556 116.791 116.791 115.860 0.931 18909 1993 1 6 . 1 1 556 556 THR HA H 556 3.934 3.934 4.054 -0.120 18909 1994 1 6 . 1 1 556 556 THR C C 556 176.992 176.992 176.340 0.652 18909 1995 1 6 . 1 1 556 556 THR CA C 556 66.329 66.329 66.810 -0.481 18909 1996 1 6 . 1 1 556 556 THR CB C 556 68.616 68.616 68.613 0.003 18909 1997 1 6 . 1 1 556 556 THR H H 556 8.866 8.866 8.545 0.321 18909 1998 1 6 . 1 1 557 557 GLU N N 557 121.303 121.303 121.342 -0.039 18909 1999 1 6 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.052 -0.046 18909 2000 1 6 . 1 1 557 557 GLU C C 557 179.310 179.310 178.860 0.450 18909 2001 1 6 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.283 0.943 18909 2002 1 6 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.932 0.223 18909 2003 1 6 . 1 1 557 557 GLU H H 557 8.538 8.538 8.014 0.524 18909 2004 1 6 . 1 1 558 558 GLU N N 558 119.737 119.737 119.419 0.318 18909 2005 1 6 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.090 -0.175 18909 2006 1 6 . 1 1 558 558 GLU C C 558 178.844 178.844 179.182 -0.338 18909 2007 1 6 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.565 0.444 18909 2008 1 6 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.130 2.304 18909 2009 1 6 . 1 1 558 558 GLU H H 558 7.831 7.831 8.167 -0.336 18909 2010 1 6 . 1 1 559 559 GLN N N 559 119.328 119.328 120.152 -0.824 18909 2011 1 6 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.265 -0.148 18909 2012 1 6 . 1 1 559 559 GLN C C 559 178.155 178.155 178.212 -0.057 18909 2013 1 6 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.725 0.630 18909 2014 1 6 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.394 -0.409 18909 2015 1 6 . 1 1 559 559 GLN H H 559 8.608 8.608 8.131 0.477 18909 2016 1 6 . 1 1 560 560 LYS N N 560 119.311 119.311 120.301 -0.990 18909 2017 1 6 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.113 -0.008 18909 2018 1 6 . 1 1 560 560 LYS C C 560 179.880 179.880 179.263 0.617 18909 2019 1 6 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.571 0.166 18909 2020 1 6 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.414 -0.353 18909 2021 1 6 . 1 1 560 560 LYS H H 560 8.000 8.000 7.914 0.086 18909 2022 1 6 . 1 1 561 561 LEU N N 561 120.026 120.026 119.564 0.462 18909 2023 1 6 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.051 0.075 18909 2024 1 6 . 1 1 561 561 LEU C C 561 180.452 180.452 179.177 1.275 18909 2025 1 6 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.630 0.690 18909 2026 1 6 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.647 0.166 18909 2027 1 6 . 1 1 561 561 LEU H H 561 7.814 7.814 8.088 -0.274 18909 2028 1 6 . 1 1 562 562 LEU N N 562 122.427 122.427 121.585 0.842 18909 2029 1 6 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.115 -0.119 18909 2030 1 6 . 1 1 562 562 LEU C C 562 177.428 177.428 178.211 -0.783 18909 2031 1 6 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.544 -0.115 18909 2032 1 6 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.910 -0.043 18909 2033 1 6 . 1 1 562 562 LEU H H 562 8.374 8.374 8.252 0.122 18909 2034 1 6 . 1 1 563 563 GLU N N 563 117.574 117.574 117.353 0.221 18909 2035 1 6 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.919 -0.080 18909 2036 1 6 . 1 1 563 563 GLU C C 563 179.907 179.907 179.174 0.733 18909 2037 1 6 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.158 0.987 18909 2038 1 6 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.350 0.055 18909 2039 1 6 . 1 1 563 563 GLU H H 563 8.541 8.541 8.038 0.503 18909 2040 1 6 . 1 1 564 564 GLN N N 564 117.659 117.659 119.582 -1.923 18909 2041 1 6 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.073 -0.070 18909 2042 1 6 . 1 1 564 564 GLN C C 564 178.490 178.490 177.774 0.716 18909 2043 1 6 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.292 0.083 18909 2044 1 6 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.231 0.276 18909 2045 1 6 . 1 1 564 564 GLN H H 564 8.098 8.098 8.053 0.045 18909 2046 1 6 . 1 1 565 565 ALA N N 565 125.117 125.117 122.021 3.096 18909 2047 1 6 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.915 0.178 18909 2048 1 6 . 1 1 565 565 ALA C C 565 178.681 178.681 179.962 -1.281 18909 2049 1 6 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.599 0.725 18909 2050 1 6 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.207 1.105 18909 2051 1 6 . 1 1 565 565 ALA H H 565 8.270 8.270 7.757 0.513 18909 2052 1 6 . 1 1 566 566 LEU N N 566 117.217 117.217 117.739 -0.522 18909 2053 1 6 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.911 -0.330 18909 2054 1 6 . 1 1 566 566 LEU C C 566 178.409 178.409 179.024 -0.615 18909 2055 1 6 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.801 0.756 18909 2056 1 6 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.541 0.503 18909 2057 1 6 . 1 1 566 566 LEU H H 566 8.170 8.170 8.342 -0.172 18909 2058 1 6 . 1 1 567 567 LYS N N 567 115.429 115.429 119.823 -4.394 18909 2059 1 6 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.235 -0.307 18909 2060 1 6 . 1 1 567 567 LYS C C 567 177.809 177.809 177.949 -0.140 18909 2061 1 6 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.369 -0.703 18909 2062 1 6 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.250 0.464 18909 2063 1 6 . 1 1 567 567 LYS H H 567 6.960 6.960 7.449 -0.489 18909 2064 1 6 . 1 1 568 568 THR N N 568 117.847 117.847 114.713 3.134 18909 2065 1 6 . 1 1 568 568 THR HA H 568 3.468 3.468 3.947 -0.479 18909 2066 1 6 . 1 1 568 568 THR C C 568 173.447 173.447 174.810 -1.363 18909 2067 1 6 . 1 1 568 568 THR CA C 568 65.620 65.620 64.998 0.622 18909 2068 1 6 . 1 1 568 568 THR CB C 568 69.080 69.080 69.084 -0.004 18909 2069 1 6 . 1 1 568 568 THR H H 568 8.024 8.024 7.822 0.202 18909 2070 1 6 . 1 1 569 569 TYR N N 569 118.409 118.409 120.541 -2.132 18909 2071 1 6 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.923 -0.023 18909 2072 1 6 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.175 -0.375 18909 2073 1 6 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.608 -0.344 18909 2074 1 6 . 1 1 569 569 TYR H H 569 7.690 7.690 7.441 0.249 18909 2075 1 6 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.578 -0.071 18909 2076 1 6 . 1 1 570 570 PRO C C 570 177.728 177.728 178.472 -0.744 18909 2077 1 6 . 1 1 570 570 PRO CA C 570 62.297 62.297 61.831 0.466 18909 2078 1 6 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.082 0.490 18909 2079 1 6 . 1 1 571 571 VAL N N 571 120.230 120.230 119.080 1.150 18909 2080 1 6 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.598 -0.131 18909 2081 1 6 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.746 0.468 18909 2082 1 6 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.903 0.132 18909 2083 1 6 . 1 1 571 571 VAL H H 571 8.601 8.601 8.647 -0.046 18909 2084 1 6 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.627 -0.150 18909 2085 1 6 . 1 1 572 572 ASN C C 572 175.194 175.194 175.305 -0.111 18909 2086 1 6 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.772 -0.592 18909 2087 1 6 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.518 -1.554 18909 2088 1 6 . 1 1 573 573 THR N N 573 119.345 119.345 117.995 1.350 18909 2089 1 6 . 1 1 573 573 THR HA H 573 4.255 4.255 4.455 -0.200 18909 2090 1 6 . 1 1 573 573 THR CA C 573 62.108 62.108 60.875 1.233 18909 2091 1 6 . 1 1 573 573 THR CB C 573 70.852 70.852 69.240 1.611 18909 2092 1 6 . 1 1 573 573 THR H H 573 7.721 7.721 7.513 0.208 18909 2093 1 6 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.354 -0.068 18909 2094 1 6 . 1 1 574 574 PRO C C 574 176.938 176.938 177.193 -0.255 18909 2095 1 6 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.727 -1.340 18909 2096 1 6 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.954 -0.234 18909 2097 1 6 . 1 1 575 575 GLU N N 575 118.953 118.953 118.120 0.833 18909 2098 1 6 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.532 -0.488 18909 2099 1 6 . 1 1 575 575 GLU C C 575 176.475 176.475 176.910 -0.435 18909 2100 1 6 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.115 1.843 18909 2101 1 6 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.406 -1.085 18909 2102 1 6 . 1 1 575 575 GLU H H 575 9.066 9.066 8.504 0.562 18909 2103 1 6 . 1 1 576 576 ARG N N 576 116.246 116.246 121.655 -5.409 18909 2104 1 6 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.760 -0.807 18909 2105 1 6 . 1 1 576 576 ARG C C 576 177.319 177.319 177.324 -0.005 18909 2106 1 6 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.487 0.475 18909 2107 1 6 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.055 1.052 18909 2108 1 6 . 1 1 576 576 ARG H H 576 7.048 7.048 7.376 -0.328 18909 2109 1 6 . 1 1 577 577 TRP N N 577 114.935 114.935 117.773 -2.838 18909 2110 1 6 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.428 -0.362 18909 2111 1 6 . 1 1 577 577 TRP C C 577 177.782 177.782 178.528 -0.746 18909 2112 1 6 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.401 1.290 18909 2113 1 6 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.795 -0.399 18909 2114 1 6 . 1 1 577 577 TRP H H 577 8.238 8.238 8.101 0.137 18909 2115 1 6 . 1 1 578 578 LYS N N 578 122.682 122.682 118.561 4.121 18909 2116 1 6 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.008 -0.032 18909 2117 1 6 . 1 1 578 578 LYS C C 578 178.872 178.872 178.958 -0.086 18909 2118 1 6 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.093 0.698 18909 2119 1 6 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.530 1.184 18909 2120 1 6 . 1 1 578 578 LYS H H 578 7.686 7.686 8.256 -0.570 18909 2121 1 6 . 1 1 579 579 LYS N N 579 118.732 118.732 118.739 -0.007 18909 2122 1 6 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.335 -0.734 18909 2123 1 6 . 1 1 579 579 LYS C C 579 179.362 179.362 179.044 0.318 18909 2124 1 6 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.201 0.392 18909 2125 1 6 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.975 -2.406 18909 2126 1 6 . 1 1 579 579 LYS H H 579 7.375 7.375 7.538 -0.163 18909 2127 1 6 . 1 1 580 580 ILE N N 580 120.281 120.281 120.444 -0.163 18909 2128 1 6 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.850 -0.439 18909 2129 1 6 . 1 1 580 580 ILE C C 580 176.747 176.747 177.622 -0.875 18909 2130 1 6 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.895 0.996 18909 2131 1 6 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.733 -0.116 18909 2132 1 6 . 1 1 580 580 ILE H H 580 8.206 8.206 7.878 0.328 18909 2133 1 6 . 1 1 581 581 ALA N N 581 119.004 119.004 122.825 -3.821 18909 2134 1 6 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.029 0.180 18909 2135 1 6 . 1 1 581 581 ALA C C 581 181.487 181.487 178.736 2.751 18909 2136 1 6 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.509 -0.158 18909 2137 1 6 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.497 -1.310 18909 2138 1 6 . 1 1 581 581 ALA H H 581 7.944 7.944 7.846 0.098 18909 2139 1 6 . 1 1 582 582 GLU N N 582 117.557 117.557 117.238 0.319 18909 2140 1 6 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.154 -0.288 18909 2141 1 6 . 1 1 582 582 GLU C C 582 177.659 177.659 178.298 -0.639 18909 2142 1 6 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.127 0.486 18909 2143 1 6 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.640 -0.417 18909 2144 1 6 . 1 1 582 582 GLU H H 582 7.722 7.722 7.653 0.069 18909 2145 1 6 . 1 1 583 583 ALA N N 583 120.247 120.247 121.352 -1.105 18909 2146 1 6 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.258 0.072 18909 2147 1 6 . 1 1 583 583 ALA C C 583 176.311 176.311 177.833 -1.522 18909 2148 1 6 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.813 -1.280 18909 2149 1 6 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.196 -0.782 18909 2150 1 6 . 1 1 583 583 ALA H H 583 7.486 7.486 7.661 -0.175 18909 2151 1 6 . 1 1 584 584 VAL N N 584 120.230 120.230 120.652 -0.422 18909 2152 1 6 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.495 -0.073 18909 2153 1 6 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.633 0.697 18909 2154 1 6 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.932 -1.251 18909 2155 1 6 . 1 1 584 584 VAL H H 584 7.486 7.486 7.793 -0.307 18909 2156 1 6 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.553 -0.318 18909 2157 1 6 . 1 1 585 585 PRO C C 585 178.000 178.000 177.927 0.073 18909 2158 1 6 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.823 1.272 18909 2159 1 6 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.413 -0.747 18909 2160 1 6 . 1 1 586 586 GLY N N 586 111.258 111.258 109.027 2.231 18909 2161 1 6 . 1 1 586 586 GLY C C 586 174.077 174.077 174.336 -0.259 18909 2162 1 6 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.255 -0.037 18909 2163 1 6 . 1 1 586 586 GLY H H 586 8.470 8.470 8.535 -0.065 18909 2164 1 6 . 1 1 587 587 ARG N N 587 118.885 118.885 120.825 -1.940 18909 2165 1 6 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.615 0.273 18909 2166 1 6 . 1 1 587 587 ARG C C 587 175.875 175.875 175.819 0.056 18909 2167 1 6 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.479 -1.152 18909 2168 1 6 . 1 1 587 587 ARG CB C 587 32.360 32.360 31.320 1.040 18909 2169 1 6 . 1 1 587 587 ARG H H 587 7.588 7.588 7.606 -0.018 18909 2170 1 6 . 1 1 588 588 THR N N 588 111.905 111.905 113.741 -1.836 18909 2171 1 6 . 1 1 588 588 THR HA H 588 4.543 4.543 4.662 -0.119 18909 2172 1 6 . 1 1 588 588 THR C C 588 176.502 176.502 175.258 1.244 18909 2173 1 6 . 1 1 588 588 THR CA C 588 60.335 60.335 60.642 -0.306 18909 2174 1 6 . 1 1 588 588 THR CB C 588 72.376 72.376 70.712 1.664 18909 2175 1 6 . 1 1 588 588 THR H H 588 8.919 8.919 8.396 0.523 18909 2176 1 6 . 1 1 589 589 LYS N N 589 122.529 122.529 122.200 0.329 18909 2177 1 6 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.252 -0.316 18909 2178 1 6 . 1 1 589 589 LYS C C 589 177.945 177.945 178.548 -0.603 18909 2179 1 6 . 1 1 589 589 LYS CA C 589 61.181 61.181 58.881 2.300 18909 2180 1 6 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.827 0.370 18909 2181 1 6 . 1 1 589 589 LYS H H 589 9.076 9.076 8.728 0.348 18909 2182 1 6 . 1 1 590 590 LYS N N 590 118.443 118.443 116.764 1.679 18909 2183 1 6 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.952 -0.083 18909 2184 1 6 . 1 1 590 590 LYS C C 590 178.888 178.888 178.071 0.817 18909 2185 1 6 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.270 0.549 18909 2186 1 6 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.770 0.590 18909 2187 1 6 . 1 1 590 590 LYS H H 590 8.199 8.199 8.234 -0.035 18909 2188 1 6 . 1 1 591 591 ASP N N 591 120.281 120.281 121.182 -0.901 18909 2189 1 6 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.656 -0.315 18909 2190 1 6 . 1 1 591 591 ASP C C 591 179.771 179.771 178.631 1.140 18909 2191 1 6 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.409 -0.151 18909 2192 1 6 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.664 1.094 18909 2193 1 6 . 1 1 591 591 ASP H H 591 7.806 7.806 8.010 -0.204 18909 2194 1 6 . 1 1 592 592 CYS N N 592 118.153 118.153 118.083 0.070 18909 2195 1 6 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.243 0.073 18909 2196 1 6 . 1 1 592 592 CYS C C 592 175.773 175.773 176.377 -0.604 18909 2197 1 6 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.412 1.527 18909 2198 1 6 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.083 -0.035 18909 2199 1 6 . 1 1 592 592 CYS H H 592 8.551 8.551 7.954 0.597 18909 2200 1 6 . 1 1 593 593 MET N N 593 119.107 119.107 119.972 -0.865 18909 2201 1 6 . 1 1 593 593 MET HA H 593 3.011 3.011 3.920 -0.909 18909 2202 1 6 . 1 1 593 593 MET C C 593 178.256 178.256 178.064 0.192 18909 2203 1 6 . 1 1 593 593 MET CA C 593 59.546 59.546 59.344 0.202 18909 2204 1 6 . 1 1 593 593 MET CB C 593 33.099 33.099 32.095 1.004 18909 2205 1 6 . 1 1 593 593 MET H H 593 8.226 8.226 7.751 0.475 18909 2206 1 6 . 1 1 594 594 LYS N N 594 120.230 120.230 118.792 1.438 18909 2207 1 6 . 1 1 594 594 LYS HA H 594 3.881 3.881 4.011 -0.130 18909 2208 1 6 . 1 1 594 594 LYS C C 594 178.396 178.396 179.216 -0.820 18909 2209 1 6 . 1 1 594 594 LYS CA C 594 59.355 59.355 58.990 0.365 18909 2210 1 6 . 1 1 594 594 LYS CB C 594 32.520 32.520 31.686 0.834 18909 2211 1 6 . 1 1 594 594 LYS H H 594 7.947 7.947 8.057 -0.110 18909 2212 1 6 . 1 1 595 595 ARG N N 595 119.498 119.498 119.654 -0.156 18909 2213 1 6 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.911 -0.048 18909 2214 1 6 . 1 1 595 595 ARG C C 595 177.728 177.728 178.405 -0.677 18909 2215 1 6 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.262 -1.304 18909 2216 1 6 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.270 0.162 18909 2217 1 6 . 1 1 595 595 ARG H H 595 7.964 7.964 7.986 -0.022 18909 2218 1 6 . 1 1 596 596 TYR N N 596 118.375 118.375 120.191 -1.816 18909 2219 1 6 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.175 -0.098 18909 2220 1 6 . 1 1 596 596 TYR C C 596 176.072 176.072 177.350 -1.278 18909 2221 1 6 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.825 0.394 18909 2222 1 6 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.469 0.728 18909 2223 1 6 . 1 1 596 596 TYR H H 596 8.161 8.161 7.917 0.244 18909 2224 1 6 . 1 1 597 597 LYS N N 597 117.932 117.932 119.415 -1.483 18909 2225 1 6 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.705 -0.122 18909 2226 1 6 . 1 1 597 597 LYS C C 597 178.941 178.941 178.745 0.196 18909 2227 1 6 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.872 -0.330 18909 2228 1 6 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.155 -0.153 18909 2229 1 6 . 1 1 597 597 LYS H H 597 7.709 7.709 8.093 -0.384 18909 2230 1 6 . 1 1 598 598 GLU N N 598 118.153 118.153 118.781 -0.628 18909 2231 1 6 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.023 -0.156 18909 2232 1 6 . 1 1 598 598 GLU C C 598 179.389 179.389 179.264 0.125 18909 2233 1 6 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.861 0.113 18909 2234 1 6 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.205 0.200 18909 2235 1 6 . 1 1 598 598 GLU H H 598 7.709 7.709 7.650 0.059 18909 2236 1 6 . 1 1 599 599 LEU N N 599 121.286 121.286 120.414 0.872 18909 2237 1 6 . 1 1 599 599 LEU HA H 599 3.983 3.983 4.000 -0.017 18909 2238 1 6 . 1 1 599 599 LEU C C 599 179.658 179.658 179.048 0.610 18909 2239 1 6 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.907 -0.132 18909 2240 1 6 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.701 -0.351 18909 2241 1 6 . 1 1 599 599 LEU H H 599 8.044 8.044 8.136 -0.092 18909 2242 1 6 . 1 1 600 600 VAL N N 600 119.583 119.583 118.826 0.757 18909 2243 1 6 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.599 -0.113 18909 2244 1 6 . 1 1 600 600 VAL C C 600 178.899 178.899 177.656 1.243 18909 2245 1 6 . 1 1 600 600 VAL CA C 600 66.056 66.056 65.971 0.085 18909 2246 1 6 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.312 0.258 18909 2247 1 6 . 1 1 600 600 VAL H H 600 7.998 7.998 7.988 0.010 18909 2248 1 6 . 1 1 601 601 GLU N N 601 119.073 119.073 119.687 -0.614 18909 2249 1 6 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.033 -0.098 18909 2250 1 6 . 1 1 601 601 GLU C C 601 178.931 178.931 179.021 -0.090 18909 2251 1 6 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.027 -0.380 18909 2252 1 6 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.078 -0.040 18909 2253 1 6 . 1 1 601 601 GLU H H 601 7.795 7.795 7.811 -0.016 18909 2254 1 6 . 1 1 602 602 MET N N 602 119.771 119.771 119.355 0.416 18909 2255 1 6 . 1 1 602 602 MET HA H 602 4.153 4.153 4.156 -0.003 18909 2256 1 6 . 1 1 602 602 MET C C 602 178.353 178.353 178.849 -0.496 18909 2257 1 6 . 1 1 602 602 MET CA C 602 58.484 58.484 59.136 -0.652 18909 2258 1 6 . 1 1 602 602 MET CB C 602 32.433 32.433 32.967 -0.534 18909 2259 1 6 . 1 1 602 602 MET H H 602 7.910 7.910 7.964 -0.054 18909 2260 1 6 . 1 1 603 603 VAL N N 603 120.332 120.332 116.519 3.813 18909 2261 1 6 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.690 -0.009 18909 2262 1 6 . 1 1 603 603 VAL C C 603 178.203 178.203 177.722 0.481 18909 2263 1 6 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.297 -0.709 18909 2264 1 6 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.294 0.471 18909 2265 1 6 . 1 1 603 603 VAL H H 603 7.792 7.792 8.095 -0.303 18909 2266 1 6 . 1 1 604 604 LYS N N 604 121.047 121.047 119.958 1.089 18909 2267 1 6 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.107 -0.136 18909 2268 1 6 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.092 -0.225 18909 2269 1 6 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.205 0.538 18909 2270 1 6 . 1 1 604 604 LYS H H 604 7.855 7.855 7.685 0.170 18909 2271 1 6 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.176 -0.009 18909 2272 1 6 . 1 1 605 605 ALA C C 605 179.644 179.644 179.232 0.412 18909 2273 1 6 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.099 -1.028 18909 2274 1 6 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.303 0.083 18909 2275 1 6 . 1 1 606 606 LYS N N 606 120.077 120.077 118.460 1.617 18909 2276 1 6 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.059 0.033 18909 2277 1 6 . 1 1 606 606 LYS C C 606 178.218 178.218 178.572 -0.354 18909 2278 1 6 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.224 -1.231 18909 2279 1 6 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.543 -0.210 18909 2280 1 6 . 1 1 606 606 LYS H H 606 7.967 7.967 8.100 -0.133 18909 2281 1 6 . 1 1 607 607 LYS N N 607 120.979 120.979 120.069 0.910 18909 2282 1 6 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.047 0.058 18909 2283 1 6 . 1 1 607 607 LYS C C 607 177.864 177.864 178.546 -0.682 18909 2284 1 6 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.715 -0.722 18909 2285 1 6 . 1 1 607 607 LYS CB C 607 32.496 32.496 31.931 0.565 18909 2286 1 6 . 1 1 607 607 LYS H H 607 8.013 8.013 7.820 0.193 18909 2287 1 6 . 1 1 608 608 ALA N N 608 122.801 122.801 120.883 1.918 18909 2288 1 6 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.117 0.043 18909 2289 1 6 . 1 1 608 608 ALA C C 608 179.035 179.035 179.618 -0.583 18909 2290 1 6 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.909 -1.165 18909 2291 1 6 . 1 1 608 608 ALA CB C 608 18.440 18.440 17.951 0.489 18909 2292 1 6 . 1 1 608 608 ALA H H 608 8.034 8.034 7.890 0.144 18909 2293 1 6 . 1 1 609 609 ALA N N 609 121.524 121.524 120.730 0.794 18909 2294 1 6 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.041 0.153 18909 2295 1 6 . 1 1 609 609 ALA C C 609 179.062 179.062 179.746 -0.684 18909 2296 1 6 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.969 -1.334 18909 2297 1 6 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.270 0.225 18909 2298 1 6 . 1 1 609 609 ALA H H 609 7.930 7.930 8.024 -0.094 18909 2299 1 6 . 1 1 610 610 GLN N N 610 118.289 118.289 118.227 0.062 18909 2300 1 6 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.103 0.046 18909 2301 1 6 . 1 1 610 610 GLN C C 610 177.230 177.230 178.236 -1.006 18909 2302 1 6 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.196 -1.156 18909 2303 1 6 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.544 0.384 18909 2304 1 6 . 1 1 610 610 GLN H H 610 7.996 7.996 7.950 0.046 18909 2305 1 6 . 1 1 611 611 GLU N N 611 120.690 120.690 120.399 0.291 18909 2306 1 6 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.001 0.097 18909 2307 1 6 . 1 1 611 611 GLU C C 611 177.237 177.237 178.815 -1.578 18909 2308 1 6 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.605 -1.831 18909 2309 1 6 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.376 0.478 18909 2310 1 6 . 1 1 611 611 GLU H H 611 8.156 8.156 8.272 -0.116 18909 2311 1 6 . 1 1 612 612 GLN N N 612 119.771 119.771 118.289 1.482 18909 2312 1 6 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.076 0.110 18909 2313 1 6 . 1 1 612 612 GLN C C 612 176.949 176.949 178.524 -1.575 18909 2314 1 6 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.679 -1.734 18909 2315 1 6 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.499 0.388 18909 2316 1 6 . 1 1 612 612 GLN H H 612 8.041 8.041 7.899 0.142 18909 2317 1 6 . 1 1 613 613 VAL N N 613 120.724 120.724 121.648 -0.924 18909 2318 1 6 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.745 0.156 18909 2319 1 6 . 1 1 613 613 VAL C C 613 177.118 177.118 178.118 -1.000 18909 2320 1 6 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.389 -2.675 18909 2321 1 6 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.367 0.784 18909 2322 1 6 . 1 1 613 613 VAL H H 613 7.857 7.857 7.508 0.349 18909 2323 1 6 . 1 1 614 614 LEU N N 614 124.095 124.095 121.172 2.923 18909 2324 1 6 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.979 0.222 18909 2325 1 6 . 1 1 614 614 LEU C C 614 177.918 177.918 178.749 -0.831 18909 2326 1 6 . 1 1 614 614 LEU CA C 614 56.032 56.032 58.329 -2.297 18909 2327 1 6 . 1 1 614 614 LEU CB C 614 42.085 42.085 40.896 1.189 18909 2328 1 6 . 1 1 614 614 LEU H H 614 8.105 8.105 8.200 -0.095 18909 2329 1 6 . 1 1 615 615 ASN N N 615 118.783 118.783 117.766 1.017 18909 2330 1 6 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.484 0.064 18909 2331 1 6 . 1 1 615 615 ASN C C 615 175.745 175.745 177.324 -1.579 18909 2332 1 6 . 1 1 615 615 ASN CA C 615 54.125 54.125 55.819 -1.694 18909 2333 1 6 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.364 0.223 18909 2334 1 6 . 1 1 615 615 ASN H H 615 8.282 8.282 8.159 0.123 18909 2335 1 6 . 1 1 616 616 ALA N N 616 123.857 123.857 121.934 1.923 18909 2336 1 6 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.233 -0.010 18909 2337 1 6 . 1 1 616 616 ALA C C 616 178.327 178.327 179.247 -0.920 18909 2338 1 6 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.590 -1.310 18909 2339 1 6 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.358 0.517 18909 2340 1 6 . 1 1 616 616 ALA H H 616 8.098 8.098 7.615 0.483 18909 2341 1 6 . 1 1 617 617 SER N N 617 114.101 114.101 113.083 1.018 18909 2342 1 6 . 1 1 617 617 SER HA H 617 4.337 4.337 4.272 0.065 18909 2343 1 6 . 1 1 617 617 SER C C 617 178.463 178.463 176.592 1.871 18909 2344 1 6 . 1 1 617 617 SER CA C 617 58.865 58.865 60.824 -1.959 18909 2345 1 6 . 1 1 617 617 SER CB C 617 63.659 63.659 63.616 0.043 18909 2346 1 6 . 1 1 617 617 SER H H 617 8.098 8.098 7.815 0.283 18909 2347 1 6 . 1 1 618 618 ARG N N 618 122.410 122.410 120.208 2.202 18909 2348 1 6 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.207 0.060 18909 2349 1 6 . 1 1 618 618 ARG C C 618 175.902 175.902 176.443 -0.541 18909 2350 1 6 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.156 0.039 18909 2351 1 6 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.131 0.473 18909 2352 1 6 . 1 1 618 618 ARG H H 618 8.012 8.012 7.830 0.182 18909 2353 1 6 . 1 1 619 619 ALA N N 619 124.555 124.555 120.831 3.724 18909 2354 1 6 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.051 0.177 18909 2355 1 6 . 1 1 619 619 ALA C C 619 177.455 177.455 176.281 1.174 18909 2356 1 6 . 1 1 619 619 ALA CA C 619 52.491 52.491 53.158 -0.667 18909 2357 1 6 . 1 1 619 619 ALA CB C 619 19.203 19.203 17.197 2.006 18909 2358 1 6 . 1 1 619 619 ALA H H 619 8.039 8.039 7.815 0.224 18909 2359 1 6 . 1 1 620 620 LYS N N 620 121.286 121.286 119.770 1.516 18909 2360 1 6 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.393 -0.160 18909 2361 1 6 . 1 1 620 620 LYS C C 620 175.548 175.548 175.552 -0.004 18909 2362 1 6 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.843 0.461 18909 2363 1 6 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.508 -0.534 18909 2364 1 6 . 1 1 620 620 LYS H H 620 8.139 8.139 7.579 0.560 18909 2365 1 7 . 1 1 552 552 THR N N 552 120.945 120.945 115.550 5.395 18909 2366 1 7 . 1 1 552 552 THR HA H 552 4.505 4.505 4.401 0.104 18909 2367 1 7 . 1 1 552 552 THR CA C 552 59.439 59.439 60.320 -0.881 18909 2368 1 7 . 1 1 552 552 THR CB C 552 69.599 69.599 68.968 0.631 18909 2369 1 7 . 1 1 552 552 THR H H 552 8.265 8.265 8.181 0.084 18909 2370 1 7 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.522 -0.037 18909 2371 1 7 . 1 1 553 553 PRO C C 553 176.938 176.938 176.482 0.456 18909 2372 1 7 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.848 0.266 18909 2373 1 7 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.157 0.027 18909 2374 1 7 . 1 1 554 554 TRP N N 554 124.095 124.095 123.153 0.942 18909 2375 1 7 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.726 -0.385 18909 2376 1 7 . 1 1 554 554 TRP C C 554 178.191 178.191 177.182 1.009 18909 2377 1 7 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.574 0.910 18909 2378 1 7 . 1 1 554 554 TRP CB C 554 28.356 28.356 29.302 -0.946 18909 2379 1 7 . 1 1 554 554 TRP H H 554 8.989 8.989 8.639 0.350 18909 2380 1 7 . 1 1 555 555 THR N N 555 115.804 115.804 115.693 0.111 18909 2381 1 7 . 1 1 555 555 THR HA H 555 4.653 4.653 4.687 -0.034 18909 2382 1 7 . 1 1 555 555 THR C C 555 176.011 176.011 175.742 0.269 18909 2383 1 7 . 1 1 555 555 THR CA C 555 60.145 60.145 60.626 -0.481 18909 2384 1 7 . 1 1 555 555 THR CB C 555 71.749 71.749 70.615 1.134 18909 2385 1 7 . 1 1 555 555 THR H H 555 8.800 8.800 8.082 0.718 18909 2386 1 7 . 1 1 556 556 THR N N 556 116.791 116.791 115.395 1.396 18909 2387 1 7 . 1 1 556 556 THR HA H 556 3.934 3.934 4.026 -0.092 18909 2388 1 7 . 1 1 556 556 THR C C 556 176.992 176.992 176.371 0.621 18909 2389 1 7 . 1 1 556 556 THR CA C 556 66.329 66.329 66.900 -0.571 18909 2390 1 7 . 1 1 556 556 THR CB C 556 68.616 68.616 68.447 0.169 18909 2391 1 7 . 1 1 556 556 THR H H 556 8.866 8.866 8.649 0.217 18909 2392 1 7 . 1 1 557 557 GLU N N 557 121.303 121.303 120.604 0.699 18909 2393 1 7 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.131 -0.125 18909 2394 1 7 . 1 1 557 557 GLU C C 557 179.310 179.310 178.662 0.648 18909 2395 1 7 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.076 1.150 18909 2396 1 7 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.909 0.246 18909 2397 1 7 . 1 1 557 557 GLU H H 557 8.538 8.538 8.436 0.102 18909 2398 1 7 . 1 1 558 558 GLU N N 558 119.737 119.737 119.551 0.186 18909 2399 1 7 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.073 -0.158 18909 2400 1 7 . 1 1 558 558 GLU C C 558 178.844 178.844 179.334 -0.490 18909 2401 1 7 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.930 1.079 18909 2402 1 7 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.153 2.281 18909 2403 1 7 . 1 1 558 558 GLU H H 558 7.831 7.831 7.751 0.080 18909 2404 1 7 . 1 1 559 559 GLN N N 559 119.328 119.328 119.328 0.000 18909 2405 1 7 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.338 -0.221 18909 2406 1 7 . 1 1 559 559 GLN C C 559 178.155 178.155 178.091 0.064 18909 2407 1 7 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.720 0.635 18909 2408 1 7 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.652 -0.667 18909 2409 1 7 . 1 1 559 559 GLN H H 559 8.608 8.608 8.241 0.367 18909 2410 1 7 . 1 1 560 560 LYS N N 560 119.311 119.311 120.582 -1.271 18909 2411 1 7 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.218 -0.113 18909 2412 1 7 . 1 1 560 560 LYS C C 560 179.880 179.880 179.065 0.815 18909 2413 1 7 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.123 0.614 18909 2414 1 7 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.934 0.127 18909 2415 1 7 . 1 1 560 560 LYS H H 560 8.000 8.000 7.728 0.272 18909 2416 1 7 . 1 1 561 561 LEU N N 561 120.026 120.026 120.208 -0.182 18909 2417 1 7 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.087 0.039 18909 2418 1 7 . 1 1 561 561 LEU C C 561 180.452 180.452 179.354 1.098 18909 2419 1 7 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.469 0.851 18909 2420 1 7 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.667 0.146 18909 2421 1 7 . 1 1 561 561 LEU H H 561 7.814 7.814 7.939 -0.125 18909 2422 1 7 . 1 1 562 562 LEU N N 562 122.427 122.427 121.425 1.002 18909 2423 1 7 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.096 -0.100 18909 2424 1 7 . 1 1 562 562 LEU C C 562 177.428 177.428 178.289 -0.861 18909 2425 1 7 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.364 0.065 18909 2426 1 7 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.834 0.033 18909 2427 1 7 . 1 1 562 562 LEU H H 562 8.374 8.374 7.819 0.555 18909 2428 1 7 . 1 1 563 563 GLU N N 563 117.574 117.574 117.862 -0.288 18909 2429 1 7 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.818 0.021 18909 2430 1 7 . 1 1 563 563 GLU C C 563 179.907 179.907 179.063 0.844 18909 2431 1 7 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.462 0.684 18909 2432 1 7 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.344 0.061 18909 2433 1 7 . 1 1 563 563 GLU H H 563 8.541 8.541 8.180 0.361 18909 2434 1 7 . 1 1 564 564 GLN N N 564 117.659 117.659 119.213 -1.554 18909 2435 1 7 . 1 1 564 564 GLN HA H 564 4.003 4.003 3.992 0.011 18909 2436 1 7 . 1 1 564 564 GLN C C 564 178.490 178.490 177.720 0.770 18909 2437 1 7 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.475 -0.100 18909 2438 1 7 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.140 0.367 18909 2439 1 7 . 1 1 564 564 GLN H H 564 8.098 8.098 8.128 -0.030 18909 2440 1 7 . 1 1 565 565 ALA N N 565 125.117 125.117 121.808 3.309 18909 2441 1 7 . 1 1 565 565 ALA HA H 565 4.093 4.093 4.024 0.069 18909 2442 1 7 . 1 1 565 565 ALA C C 565 178.681 178.681 179.999 -1.318 18909 2443 1 7 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.699 0.625 18909 2444 1 7 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.210 1.102 18909 2445 1 7 . 1 1 565 565 ALA H H 565 8.270 8.270 7.649 0.621 18909 2446 1 7 . 1 1 566 566 LEU N N 566 117.217 117.217 116.633 0.584 18909 2447 1 7 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.769 -0.188 18909 2448 1 7 . 1 1 566 566 LEU C C 566 178.409 178.409 178.947 -0.538 18909 2449 1 7 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.938 0.619 18909 2450 1 7 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.381 0.663 18909 2451 1 7 . 1 1 566 566 LEU H H 566 8.170 8.170 8.064 0.106 18909 2452 1 7 . 1 1 567 567 LYS N N 567 115.429 115.429 118.911 -3.482 18909 2453 1 7 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.225 -0.297 18909 2454 1 7 . 1 1 567 567 LYS C C 567 177.809 177.809 178.209 -0.400 18909 2455 1 7 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.250 -0.584 18909 2456 1 7 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.011 0.703 18909 2457 1 7 . 1 1 567 567 LYS H H 567 6.960 6.960 7.294 -0.334 18909 2458 1 7 . 1 1 568 568 THR N N 568 117.847 117.847 113.882 3.965 18909 2459 1 7 . 1 1 568 568 THR HA H 568 3.468 3.468 3.920 -0.452 18909 2460 1 7 . 1 1 568 568 THR C C 568 173.447 173.447 174.490 -1.043 18909 2461 1 7 . 1 1 568 568 THR CA C 568 65.620 65.620 64.926 0.694 18909 2462 1 7 . 1 1 568 568 THR CB C 568 69.080 69.080 68.850 0.230 18909 2463 1 7 . 1 1 568 568 THR H H 568 8.024 8.024 7.840 0.184 18909 2464 1 7 . 1 1 569 569 TYR N N 569 118.409 118.409 120.699 -2.290 18909 2465 1 7 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.810 0.090 18909 2466 1 7 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.161 -0.361 18909 2467 1 7 . 1 1 569 569 TYR CB C 569 37.265 37.265 38.126 -0.861 18909 2468 1 7 . 1 1 569 569 TYR H H 569 7.690 7.690 7.406 0.284 18909 2469 1 7 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.380 0.127 18909 2470 1 7 . 1 1 570 570 PRO C C 570 177.728 177.728 178.104 -0.376 18909 2471 1 7 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.445 -0.148 18909 2472 1 7 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.078 0.494 18909 2473 1 7 . 1 1 571 571 VAL N N 571 120.230 120.230 121.671 -1.441 18909 2474 1 7 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.594 -0.127 18909 2475 1 7 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.364 0.850 18909 2476 1 7 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.225 -0.190 18909 2477 1 7 . 1 1 571 571 VAL H H 571 8.601 8.601 8.473 0.128 18909 2478 1 7 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.666 -0.189 18909 2479 1 7 . 1 1 572 572 ASN C C 572 175.194 175.194 175.668 -0.474 18909 2480 1 7 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.154 0.026 18909 2481 1 7 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.368 -1.404 18909 2482 1 7 . 1 1 573 573 THR N N 573 119.345 119.345 118.197 1.148 18909 2483 1 7 . 1 1 573 573 THR HA H 573 4.255 4.255 4.559 -0.304 18909 2484 1 7 . 1 1 573 573 THR CA C 573 62.108 62.108 61.397 0.711 18909 2485 1 7 . 1 1 573 573 THR CB C 573 70.852 70.852 68.865 1.987 18909 2486 1 7 . 1 1 573 573 THR H H 573 7.721 7.721 7.494 0.227 18909 2487 1 7 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.403 -0.117 18909 2488 1 7 . 1 1 574 574 PRO C C 574 176.938 176.938 177.734 -0.796 18909 2489 1 7 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.719 -1.333 18909 2490 1 7 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.084 -0.364 18909 2491 1 7 . 1 1 575 575 GLU N N 575 118.953 118.953 117.926 1.027 18909 2492 1 7 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.404 -0.360 18909 2493 1 7 . 1 1 575 575 GLU C C 575 176.475 176.475 177.626 -1.151 18909 2494 1 7 . 1 1 575 575 GLU CA C 575 56.958 56.958 56.019 0.939 18909 2495 1 7 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.319 -0.998 18909 2496 1 7 . 1 1 575 575 GLU H H 575 9.066 9.066 8.759 0.307 18909 2497 1 7 . 1 1 576 576 ARG N N 576 116.246 116.246 121.462 -5.216 18909 2498 1 7 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.903 -0.950 18909 2499 1 7 . 1 1 576 576 ARG C C 576 177.319 177.319 177.471 -0.152 18909 2500 1 7 . 1 1 576 576 ARG CA C 576 60.962 60.962 59.899 1.063 18909 2501 1 7 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.000 1.107 18909 2502 1 7 . 1 1 576 576 ARG H H 576 7.048 7.048 7.365 -0.317 18909 2503 1 7 . 1 1 577 577 TRP N N 577 114.935 114.935 117.587 -2.652 18909 2504 1 7 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.475 -0.409 18909 2505 1 7 . 1 1 577 577 TRP C C 577 177.782 177.782 178.129 -0.347 18909 2506 1 7 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.203 1.487 18909 2507 1 7 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.855 -0.459 18909 2508 1 7 . 1 1 577 577 TRP H H 577 8.238 8.238 8.272 -0.034 18909 2509 1 7 . 1 1 578 578 LYS N N 578 122.682 122.682 119.665 3.017 18909 2510 1 7 . 1 1 578 578 LYS HA H 578 3.976 3.976 3.999 -0.023 18909 2511 1 7 . 1 1 578 578 LYS C C 578 178.872 178.872 178.717 0.155 18909 2512 1 7 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.404 0.387 18909 2513 1 7 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.593 1.121 18909 2514 1 7 . 1 1 578 578 LYS H H 578 7.686 7.686 8.210 -0.524 18909 2515 1 7 . 1 1 579 579 LYS N N 579 118.732 118.732 119.154 -0.422 18909 2516 1 7 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.208 -0.607 18909 2517 1 7 . 1 1 579 579 LYS C C 579 179.362 179.362 178.749 0.613 18909 2518 1 7 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.387 0.206 18909 2519 1 7 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.854 -2.285 18909 2520 1 7 . 1 1 579 579 LYS H H 579 7.375 7.375 7.677 -0.302 18909 2521 1 7 . 1 1 580 580 ILE N N 580 120.281 120.281 120.115 0.166 18909 2522 1 7 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.868 -0.457 18909 2523 1 7 . 1 1 580 580 ILE C C 580 176.747 176.747 177.572 -0.825 18909 2524 1 7 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.543 1.349 18909 2525 1 7 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.744 -0.127 18909 2526 1 7 . 1 1 580 580 ILE H H 580 8.206 8.206 7.342 0.864 18909 2527 1 7 . 1 1 581 581 ALA N N 581 119.004 119.004 122.848 -3.844 18909 2528 1 7 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.045 0.164 18909 2529 1 7 . 1 1 581 581 ALA C C 581 181.487 181.487 178.815 2.672 18909 2530 1 7 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.132 0.220 18909 2531 1 7 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.320 -1.133 18909 2532 1 7 . 1 1 581 581 ALA H H 581 7.944 7.944 7.830 0.114 18909 2533 1 7 . 1 1 582 582 GLU N N 582 117.557 117.557 117.680 -0.123 18909 2534 1 7 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.084 -0.218 18909 2535 1 7 . 1 1 582 582 GLU C C 582 177.659 177.659 178.780 -1.121 18909 2536 1 7 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.344 0.269 18909 2537 1 7 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.721 -0.499 18909 2538 1 7 . 1 1 582 582 GLU H H 582 7.722 7.722 7.734 -0.012 18909 2539 1 7 . 1 1 583 583 ALA N N 583 120.247 120.247 120.657 -0.410 18909 2540 1 7 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.213 0.117 18909 2541 1 7 . 1 1 583 583 ALA C C 583 176.311 176.311 178.072 -1.761 18909 2542 1 7 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.940 -1.407 18909 2543 1 7 . 1 1 583 583 ALA CB C 583 19.414 19.414 19.905 -0.491 18909 2544 1 7 . 1 1 583 583 ALA H H 583 7.486 7.486 7.595 -0.109 18909 2545 1 7 . 1 1 584 584 VAL N N 584 120.230 120.230 118.281 1.949 18909 2546 1 7 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.544 -0.122 18909 2547 1 7 . 1 1 584 584 VAL CA C 584 59.330 59.330 59.074 0.256 18909 2548 1 7 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.480 -0.799 18909 2549 1 7 . 1 1 584 584 VAL H H 584 7.486 7.486 7.776 -0.290 18909 2550 1 7 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.724 -0.489 18909 2551 1 7 . 1 1 585 585 PRO C C 585 178.000 178.000 177.918 0.082 18909 2552 1 7 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.475 1.619 18909 2553 1 7 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.999 -1.333 18909 2554 1 7 . 1 1 586 586 GLY N N 586 111.258 111.258 109.140 2.118 18909 2555 1 7 . 1 1 586 586 GLY C C 586 174.077 174.077 174.003 0.074 18909 2556 1 7 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.177 0.041 18909 2557 1 7 . 1 1 586 586 GLY H H 586 8.470 8.470 8.571 -0.101 18909 2558 1 7 . 1 1 587 587 ARG N N 587 118.885 118.885 122.223 -3.338 18909 2559 1 7 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.483 0.405 18909 2560 1 7 . 1 1 587 587 ARG C C 587 175.875 175.875 175.561 0.314 18909 2561 1 7 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.988 -1.661 18909 2562 1 7 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.581 1.778 18909 2563 1 7 . 1 1 587 587 ARG H H 587 7.588 7.588 7.725 -0.137 18909 2564 1 7 . 1 1 588 588 THR N N 588 111.905 111.905 119.518 -7.613 18909 2565 1 7 . 1 1 588 588 THR HA H 588 4.543 4.543 4.524 0.019 18909 2566 1 7 . 1 1 588 588 THR C C 588 176.502 176.502 175.189 1.313 18909 2567 1 7 . 1 1 588 588 THR CA C 588 60.335 60.335 62.191 -1.856 18909 2568 1 7 . 1 1 588 588 THR CB C 588 72.376 72.376 70.305 2.071 18909 2569 1 7 . 1 1 588 588 THR H H 588 8.919 8.919 8.518 0.401 18909 2570 1 7 . 1 1 589 589 LYS N N 589 122.529 122.529 122.902 -0.373 18909 2571 1 7 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.182 -0.246 18909 2572 1 7 . 1 1 589 589 LYS C C 589 177.945 177.945 178.286 -0.341 18909 2573 1 7 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.095 2.086 18909 2574 1 7 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.812 0.385 18909 2575 1 7 . 1 1 589 589 LYS H H 589 9.076 9.076 8.647 0.429 18909 2576 1 7 . 1 1 590 590 LYS N N 590 118.443 118.443 117.234 1.209 18909 2577 1 7 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.878 -0.009 18909 2578 1 7 . 1 1 590 590 LYS C C 590 178.888 178.888 177.839 1.049 18909 2579 1 7 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.102 0.717 18909 2580 1 7 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.754 0.606 18909 2581 1 7 . 1 1 590 590 LYS H H 590 8.199 8.199 8.283 -0.084 18909 2582 1 7 . 1 1 591 591 ASP N N 591 120.281 120.281 121.044 -0.763 18909 2583 1 7 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.414 -0.073 18909 2584 1 7 . 1 1 591 591 ASP C C 591 179.771 179.771 178.472 1.299 18909 2585 1 7 . 1 1 591 591 ASP CA C 591 57.258 57.258 56.883 0.375 18909 2586 1 7 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.640 1.118 18909 2587 1 7 . 1 1 591 591 ASP H H 591 7.806 7.806 7.779 0.027 18909 2588 1 7 . 1 1 592 592 CYS N N 592 118.153 118.153 119.259 -1.106 18909 2589 1 7 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.289 0.027 18909 2590 1 7 . 1 1 592 592 CYS C C 592 175.773 175.773 176.732 -0.959 18909 2591 1 7 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.099 1.840 18909 2592 1 7 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.285 -0.237 18909 2593 1 7 . 1 1 592 592 CYS H H 592 8.551 8.551 7.818 0.733 18909 2594 1 7 . 1 1 593 593 MET N N 593 119.107 119.107 120.060 -0.953 18909 2595 1 7 . 1 1 593 593 MET HA H 593 3.011 3.011 3.812 -0.801 18909 2596 1 7 . 1 1 593 593 MET C C 593 178.256 178.256 178.102 0.154 18909 2597 1 7 . 1 1 593 593 MET CA C 593 59.546 59.546 59.431 0.115 18909 2598 1 7 . 1 1 593 593 MET CB C 593 33.099 33.099 31.928 1.171 18909 2599 1 7 . 1 1 593 593 MET H H 593 8.226 8.226 8.064 0.162 18909 2600 1 7 . 1 1 594 594 LYS N N 594 120.230 120.230 119.021 1.209 18909 2601 1 7 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.942 -0.061 18909 2602 1 7 . 1 1 594 594 LYS C C 594 178.396 178.396 179.367 -0.971 18909 2603 1 7 . 1 1 594 594 LYS CA C 594 59.355 59.355 58.865 0.490 18909 2604 1 7 . 1 1 594 594 LYS CB C 594 32.520 32.520 31.562 0.958 18909 2605 1 7 . 1 1 594 594 LYS H H 594 7.947 7.947 7.660 0.287 18909 2606 1 7 . 1 1 595 595 ARG N N 595 119.498 119.498 119.728 -0.230 18909 2607 1 7 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.294 -0.431 18909 2608 1 7 . 1 1 595 595 ARG C C 595 177.728 177.728 178.768 -1.040 18909 2609 1 7 . 1 1 595 595 ARG CA C 595 56.958 56.958 57.904 -0.946 18909 2610 1 7 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.317 0.115 18909 2611 1 7 . 1 1 595 595 ARG H H 595 7.964 7.964 7.855 0.109 18909 2612 1 7 . 1 1 596 596 TYR N N 596 118.375 118.375 120.821 -2.446 18909 2613 1 7 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.200 -0.123 18909 2614 1 7 . 1 1 596 596 TYR C C 596 176.072 176.072 177.303 -1.231 18909 2615 1 7 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.429 0.790 18909 2616 1 7 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.374 0.823 18909 2617 1 7 . 1 1 596 596 TYR H H 596 8.161 8.161 8.156 0.005 18909 2618 1 7 . 1 1 597 597 LYS N N 597 117.932 117.932 119.591 -1.659 18909 2619 1 7 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.652 -0.069 18909 2620 1 7 . 1 1 597 597 LYS C C 597 178.941 178.941 178.598 0.343 18909 2621 1 7 . 1 1 597 597 LYS CA C 597 59.542 59.542 60.006 -0.464 18909 2622 1 7 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.155 -0.153 18909 2623 1 7 . 1 1 597 597 LYS H H 597 7.709 7.709 7.924 -0.215 18909 2624 1 7 . 1 1 598 598 GLU N N 598 118.153 118.153 119.545 -1.392 18909 2625 1 7 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.967 -0.100 18909 2626 1 7 . 1 1 598 598 GLU C C 598 179.389 179.389 179.110 0.279 18909 2627 1 7 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.267 -0.293 18909 2628 1 7 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.514 -0.109 18909 2629 1 7 . 1 1 598 598 GLU H H 598 7.709 7.709 7.641 0.068 18909 2630 1 7 . 1 1 599 599 LEU N N 599 121.286 121.286 120.088 1.198 18909 2631 1 7 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.989 -0.006 18909 2632 1 7 . 1 1 599 599 LEU C C 599 179.658 179.658 179.036 0.622 18909 2633 1 7 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.880 -0.105 18909 2634 1 7 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.670 -0.320 18909 2635 1 7 . 1 1 599 599 LEU H H 599 8.044 8.044 7.940 0.104 18909 2636 1 7 . 1 1 600 600 VAL N N 600 119.583 119.583 118.914 0.669 18909 2637 1 7 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.625 -0.139 18909 2638 1 7 . 1 1 600 600 VAL C C 600 178.899 178.899 177.849 1.050 18909 2639 1 7 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.242 -0.186 18909 2640 1 7 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.264 0.306 18909 2641 1 7 . 1 1 600 600 VAL H H 600 7.998 7.998 7.784 0.214 18909 2642 1 7 . 1 1 601 601 GLU N N 601 119.073 119.073 119.290 -0.217 18909 2643 1 7 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.011 -0.076 18909 2644 1 7 . 1 1 601 601 GLU C C 601 178.931 178.931 179.405 -0.474 18909 2645 1 7 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.146 -0.499 18909 2646 1 7 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.187 -0.150 18909 2647 1 7 . 1 1 601 601 GLU H H 601 7.795 7.795 7.675 0.120 18909 2648 1 7 . 1 1 602 602 MET N N 602 119.771 119.771 118.423 1.348 18909 2649 1 7 . 1 1 602 602 MET HA H 602 4.153 4.153 4.207 -0.054 18909 2650 1 7 . 1 1 602 602 MET C C 602 178.353 178.353 178.707 -0.354 18909 2651 1 7 . 1 1 602 602 MET CA C 602 58.484 58.484 59.480 -0.996 18909 2652 1 7 . 1 1 602 602 MET CB C 602 32.433 32.433 33.050 -0.617 18909 2653 1 7 . 1 1 602 602 MET H H 602 7.910 7.910 8.071 -0.161 18909 2654 1 7 . 1 1 603 603 VAL N N 603 120.332 120.332 116.531 3.801 18909 2655 1 7 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.678 0.003 18909 2656 1 7 . 1 1 603 603 VAL C C 603 178.203 178.203 177.647 0.556 18909 2657 1 7 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.100 -0.512 18909 2658 1 7 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.177 0.588 18909 2659 1 7 . 1 1 603 603 VAL H H 603 7.792 7.792 7.770 0.022 18909 2660 1 7 . 1 1 604 604 LYS N N 604 121.047 121.047 121.033 0.014 18909 2661 1 7 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.959 0.012 18909 2662 1 7 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.784 -0.917 18909 2663 1 7 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.094 0.649 18909 2664 1 7 . 1 1 604 604 LYS H H 604 7.855 7.855 8.002 -0.147 18909 2665 1 7 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.017 0.150 18909 2666 1 7 . 1 1 605 605 ALA C C 605 179.644 179.644 179.491 0.153 18909 2667 1 7 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.960 -0.889 18909 2668 1 7 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.360 0.026 18909 2669 1 7 . 1 1 606 606 LYS N N 606 120.077 120.077 119.125 0.952 18909 2670 1 7 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.059 0.033 18909 2671 1 7 . 1 1 606 606 LYS C C 606 178.218 178.218 178.674 -0.456 18909 2672 1 7 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.395 -1.403 18909 2673 1 7 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.489 -0.156 18909 2674 1 7 . 1 1 606 606 LYS H H 606 7.967 7.967 8.015 -0.048 18909 2675 1 7 . 1 1 607 607 LYS N N 607 120.979 120.979 119.830 1.149 18909 2676 1 7 . 1 1 607 607 LYS HA H 607 4.105 4.105 3.979 0.126 18909 2677 1 7 . 1 1 607 607 LYS C C 607 177.864 177.864 178.756 -0.892 18909 2678 1 7 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.302 -1.309 18909 2679 1 7 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.525 -0.029 18909 2680 1 7 . 1 1 607 607 LYS H H 607 8.013 8.013 7.702 0.311 18909 2681 1 7 . 1 1 608 608 ALA N N 608 122.801 122.801 120.903 1.898 18909 2682 1 7 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.008 0.152 18909 2683 1 7 . 1 1 608 608 ALA C C 608 179.035 179.035 179.275 -0.240 18909 2684 1 7 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.118 -1.374 18909 2685 1 7 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.221 0.219 18909 2686 1 7 . 1 1 608 608 ALA H H 608 8.034 8.034 8.083 -0.049 18909 2687 1 7 . 1 1 609 609 ALA N N 609 121.524 121.524 120.811 0.713 18909 2688 1 7 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.238 -0.044 18909 2689 1 7 . 1 1 609 609 ALA C C 609 179.062 179.062 180.164 -1.102 18909 2690 1 7 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.681 -1.046 18909 2691 1 7 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.448 0.047 18909 2692 1 7 . 1 1 609 609 ALA H H 609 7.930 7.930 7.627 0.303 18909 2693 1 7 . 1 1 610 610 GLN N N 610 118.289 118.289 117.293 0.996 18909 2694 1 7 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.107 0.042 18909 2695 1 7 . 1 1 610 610 GLN C C 610 177.230 177.230 178.326 -1.096 18909 2696 1 7 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.597 -1.557 18909 2697 1 7 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.627 0.301 18909 2698 1 7 . 1 1 610 610 GLN H H 610 7.996 7.996 7.749 0.247 18909 2699 1 7 . 1 1 611 611 GLU N N 611 120.690 120.690 120.393 0.297 18909 2700 1 7 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.001 0.097 18909 2701 1 7 . 1 1 611 611 GLU C C 611 177.237 177.237 178.855 -1.618 18909 2702 1 7 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.315 -1.540 18909 2703 1 7 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.767 0.087 18909 2704 1 7 . 1 1 611 611 GLU H H 611 8.156 8.156 8.190 -0.034 18909 2705 1 7 . 1 1 612 612 GLN N N 612 119.771 119.771 117.886 1.885 18909 2706 1 7 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.126 0.060 18909 2707 1 7 . 1 1 612 612 GLN C C 612 176.949 176.949 178.524 -1.575 18909 2708 1 7 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.684 -1.740 18909 2709 1 7 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.500 0.387 18909 2710 1 7 . 1 1 612 612 GLN H H 612 8.041 8.041 8.016 0.025 18909 2711 1 7 . 1 1 613 613 VAL N N 613 120.724 120.724 119.506 1.218 18909 2712 1 7 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.906 -0.005 18909 2713 1 7 . 1 1 613 613 VAL C C 613 177.118 177.118 178.026 -0.908 18909 2714 1 7 . 1 1 613 613 VAL CA C 613 63.714 63.714 64.199 -0.485 18909 2715 1 7 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.143 1.008 18909 2716 1 7 . 1 1 613 613 VAL H H 613 7.857 7.857 7.386 0.471 18909 2717 1 7 . 1 1 614 614 LEU N N 614 124.095 124.095 121.863 2.232 18909 2718 1 7 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.010 0.191 18909 2719 1 7 . 1 1 614 614 LEU C C 614 177.918 177.918 178.374 -0.456 18909 2720 1 7 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.830 -1.798 18909 2721 1 7 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.776 0.309 18909 2722 1 7 . 1 1 614 614 LEU H H 614 8.105 8.105 8.020 0.085 18909 2723 1 7 . 1 1 615 615 ASN N N 615 118.783 118.783 117.741 1.042 18909 2724 1 7 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.352 0.196 18909 2725 1 7 . 1 1 615 615 ASN C C 615 175.745 175.745 177.126 -1.381 18909 2726 1 7 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.634 -2.509 18909 2727 1 7 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.546 0.041 18909 2728 1 7 . 1 1 615 615 ASN H H 615 8.282 8.282 8.335 -0.053 18909 2729 1 7 . 1 1 616 616 ALA N N 616 123.857 123.857 122.077 1.780 18909 2730 1 7 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.136 0.087 18909 2731 1 7 . 1 1 616 616 ALA C C 616 178.327 178.327 180.007 -1.680 18909 2732 1 7 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.891 -1.611 18909 2733 1 7 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.439 0.436 18909 2734 1 7 . 1 1 616 616 ALA H H 616 8.098 8.098 7.572 0.526 18909 2735 1 7 . 1 1 617 617 SER N N 617 114.101 114.101 112.832 1.269 18909 2736 1 7 . 1 1 617 617 SER HA H 617 4.337 4.337 4.339 -0.002 18909 2737 1 7 . 1 1 617 617 SER C C 617 178.463 178.463 176.300 2.163 18909 2738 1 7 . 1 1 617 617 SER CA C 617 58.865 58.865 60.355 -1.490 18909 2739 1 7 . 1 1 617 617 SER CB C 617 63.659 63.659 62.965 0.694 18909 2740 1 7 . 1 1 617 617 SER H H 617 8.098 8.098 7.590 0.508 18909 2741 1 7 . 1 1 618 618 ARG N N 618 122.410 122.410 119.765 2.645 18909 2742 1 7 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.347 -0.080 18909 2743 1 7 . 1 1 618 618 ARG C C 618 175.902 175.902 176.456 -0.554 18909 2744 1 7 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.336 0.859 18909 2745 1 7 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.138 0.466 18909 2746 1 7 . 1 1 618 618 ARG H H 618 8.012 8.012 7.782 0.230 18909 2747 1 7 . 1 1 619 619 ALA N N 619 124.555 124.555 119.491 5.064 18909 2748 1 7 . 1 1 619 619 ALA HA H 619 4.228 4.228 3.982 0.246 18909 2749 1 7 . 1 1 619 619 ALA C C 619 177.455 177.455 177.610 -0.155 18909 2750 1 7 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.860 -0.369 18909 2751 1 7 . 1 1 619 619 ALA CB C 619 19.203 19.203 16.674 2.529 18909 2752 1 7 . 1 1 619 619 ALA H H 619 8.039 8.039 7.723 0.316 18909 2753 1 7 . 1 1 620 620 LYS N N 620 121.286 121.286 117.773 3.513 18909 2754 1 7 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.252 -0.019 18909 2755 1 7 . 1 1 620 620 LYS C C 620 175.548 175.548 175.761 -0.213 18909 2756 1 7 . 1 1 620 620 LYS CA C 620 56.304 56.304 56.480 -0.176 18909 2757 1 7 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.082 -0.108 18909 2758 1 7 . 1 1 620 620 LYS H H 620 8.139 8.139 7.888 0.251 18909 2759 1 8 . 1 1 552 552 THR N N 552 120.945 120.945 121.215 -0.270 18909 2760 1 8 . 1 1 552 552 THR HA H 552 4.505 4.505 4.401 0.104 18909 2761 1 8 . 1 1 552 552 THR CA C 552 59.439 59.439 60.055 -0.616 18909 2762 1 8 . 1 1 552 552 THR CB C 552 69.599 69.599 69.846 -0.247 18909 2763 1 8 . 1 1 552 552 THR H H 552 8.265 8.265 7.935 0.330 18909 2764 1 8 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.421 0.064 18909 2765 1 8 . 1 1 553 553 PRO C C 553 176.938 176.938 176.244 0.694 18909 2766 1 8 . 1 1 553 553 PRO CA C 553 63.114 63.114 61.996 1.118 18909 2767 1 8 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.707 -0.523 18909 2768 1 8 . 1 1 554 554 TRP N N 554 124.095 124.095 120.001 4.094 18909 2769 1 8 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.603 -0.262 18909 2770 1 8 . 1 1 554 554 TRP C C 554 178.191 178.191 176.600 1.591 18909 2771 1 8 . 1 1 554 554 TRP CA C 554 58.484 58.484 56.926 1.558 18909 2772 1 8 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.068 0.288 18909 2773 1 8 . 1 1 554 554 TRP H H 554 8.989 8.989 8.327 0.662 18909 2774 1 8 . 1 1 555 555 THR N N 555 115.804 115.804 115.972 -0.168 18909 2775 1 8 . 1 1 555 555 THR HA H 555 4.653 4.653 4.580 0.073 18909 2776 1 8 . 1 1 555 555 THR C C 555 176.011 176.011 176.081 -0.070 18909 2777 1 8 . 1 1 555 555 THR CA C 555 60.145 60.145 61.086 -0.941 18909 2778 1 8 . 1 1 555 555 THR CB C 555 71.749 71.749 70.457 1.292 18909 2779 1 8 . 1 1 555 555 THR H H 555 8.800 8.800 7.829 0.971 18909 2780 1 8 . 1 1 556 556 THR N N 556 116.791 116.791 116.992 -0.201 18909 2781 1 8 . 1 1 556 556 THR HA H 556 3.934 3.934 4.010 -0.076 18909 2782 1 8 . 1 1 556 556 THR C C 556 176.992 176.992 176.679 0.313 18909 2783 1 8 . 1 1 556 556 THR CA C 556 66.329 66.329 67.018 -0.689 18909 2784 1 8 . 1 1 556 556 THR CB C 556 68.616 68.616 68.301 0.315 18909 2785 1 8 . 1 1 556 556 THR H H 556 8.866 8.866 8.600 0.266 18909 2786 1 8 . 1 1 557 557 GLU N N 557 121.303 121.303 120.822 0.481 18909 2787 1 8 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.073 -0.067 18909 2788 1 8 . 1 1 557 557 GLU C C 557 179.310 179.310 178.844 0.466 18909 2789 1 8 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.298 0.928 18909 2790 1 8 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.985 0.170 18909 2791 1 8 . 1 1 557 557 GLU H H 557 8.538 8.538 8.755 -0.217 18909 2792 1 8 . 1 1 558 558 GLU N N 558 119.737 119.737 119.116 0.621 18909 2793 1 8 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.063 -0.148 18909 2794 1 8 . 1 1 558 558 GLU C C 558 178.844 178.844 179.373 -0.529 18909 2795 1 8 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.001 1.008 18909 2796 1 8 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.129 2.305 18909 2797 1 8 . 1 1 558 558 GLU H H 558 7.831 7.831 7.860 -0.029 18909 2798 1 8 . 1 1 559 559 GLN N N 559 119.328 119.328 119.594 -0.266 18909 2799 1 8 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.368 -0.251 18909 2800 1 8 . 1 1 559 559 GLN C C 559 178.155 178.155 178.090 0.065 18909 2801 1 8 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.833 0.522 18909 2802 1 8 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.616 -0.631 18909 2803 1 8 . 1 1 559 559 GLN H H 559 8.608 8.608 8.335 0.273 18909 2804 1 8 . 1 1 560 560 LYS N N 560 119.311 119.311 120.345 -1.034 18909 2805 1 8 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.385 -0.280 18909 2806 1 8 . 1 1 560 560 LYS C C 560 179.880 179.880 179.200 0.680 18909 2807 1 8 . 1 1 560 560 LYS CA C 560 59.737 59.737 58.971 0.766 18909 2808 1 8 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.971 0.090 18909 2809 1 8 . 1 1 560 560 LYS H H 560 8.000 8.000 7.814 0.186 18909 2810 1 8 . 1 1 561 561 LEU N N 561 120.026 120.026 120.983 -0.957 18909 2811 1 8 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.109 0.017 18909 2812 1 8 . 1 1 561 561 LEU C C 561 180.452 180.452 179.148 1.304 18909 2813 1 8 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.657 0.663 18909 2814 1 8 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.685 0.128 18909 2815 1 8 . 1 1 561 561 LEU H H 561 7.814 7.814 7.981 -0.167 18909 2816 1 8 . 1 1 562 562 LEU N N 562 122.427 122.427 120.678 1.749 18909 2817 1 8 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.023 -0.027 18909 2818 1 8 . 1 1 562 562 LEU C C 562 177.428 177.428 178.446 -1.018 18909 2819 1 8 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.344 0.085 18909 2820 1 8 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.800 0.067 18909 2821 1 8 . 1 1 562 562 LEU H H 562 8.374 8.374 7.935 0.439 18909 2822 1 8 . 1 1 563 563 GLU N N 563 117.574 117.574 117.621 -0.047 18909 2823 1 8 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.804 0.035 18909 2824 1 8 . 1 1 563 563 GLU C C 563 179.907 179.907 179.141 0.766 18909 2825 1 8 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.521 0.624 18909 2826 1 8 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.284 0.121 18909 2827 1 8 . 1 1 563 563 GLU H H 563 8.541 8.541 8.201 0.340 18909 2828 1 8 . 1 1 564 564 GLN N N 564 117.659 117.659 118.970 -1.311 18909 2829 1 8 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.013 -0.010 18909 2830 1 8 . 1 1 564 564 GLN C C 564 178.490 178.490 178.051 0.439 18909 2831 1 8 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.536 -0.161 18909 2832 1 8 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.766 -0.259 18909 2833 1 8 . 1 1 564 564 GLN H H 564 8.098 8.098 7.723 0.375 18909 2834 1 8 . 1 1 565 565 ALA N N 565 125.117 125.117 122.243 2.874 18909 2835 1 8 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.771 0.322 18909 2836 1 8 . 1 1 565 565 ALA C C 565 178.681 178.681 179.798 -1.117 18909 2837 1 8 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.655 0.669 18909 2838 1 8 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.162 1.150 18909 2839 1 8 . 1 1 565 565 ALA H H 565 8.270 8.270 7.713 0.557 18909 2840 1 8 . 1 1 566 566 LEU N N 566 117.217 117.217 117.149 0.068 18909 2841 1 8 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.769 -0.188 18909 2842 1 8 . 1 1 566 566 LEU C C 566 178.409 178.409 179.191 -0.782 18909 2843 1 8 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.096 0.461 18909 2844 1 8 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.447 0.597 18909 2845 1 8 . 1 1 566 566 LEU H H 566 8.170 8.170 8.138 0.032 18909 2846 1 8 . 1 1 567 567 LYS N N 567 115.429 115.429 118.269 -2.840 18909 2847 1 8 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.191 -0.263 18909 2848 1 8 . 1 1 567 567 LYS C C 567 177.809 177.809 178.018 -0.209 18909 2849 1 8 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.368 -0.702 18909 2850 1 8 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.671 0.043 18909 2851 1 8 . 1 1 567 567 LYS H H 567 6.960 6.960 7.620 -0.660 18909 2852 1 8 . 1 1 568 568 THR N N 568 117.847 117.847 114.481 3.366 18909 2853 1 8 . 1 1 568 568 THR HA H 568 3.468 3.468 3.915 -0.447 18909 2854 1 8 . 1 1 568 568 THR C C 568 173.447 173.447 174.948 -1.501 18909 2855 1 8 . 1 1 568 568 THR CA C 568 65.620 65.620 64.985 0.635 18909 2856 1 8 . 1 1 568 568 THR CB C 568 69.080 69.080 69.081 -0.001 18909 2857 1 8 . 1 1 568 568 THR H H 568 8.024 8.024 7.645 0.379 18909 2858 1 8 . 1 1 569 569 TYR N N 569 118.409 118.409 120.026 -1.617 18909 2859 1 8 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.879 0.021 18909 2860 1 8 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.384 -0.584 18909 2861 1 8 . 1 1 569 569 TYR CB C 569 37.265 37.265 36.938 0.327 18909 2862 1 8 . 1 1 569 569 TYR H H 569 7.690 7.690 7.462 0.228 18909 2863 1 8 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.300 0.207 18909 2864 1 8 . 1 1 570 570 PRO C C 570 177.728 177.728 178.411 -0.683 18909 2865 1 8 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.348 -0.051 18909 2866 1 8 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.416 1.155 18909 2867 1 8 . 1 1 571 571 VAL N N 571 120.230 120.230 120.538 -0.308 18909 2868 1 8 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.668 -0.201 18909 2869 1 8 . 1 1 571 571 VAL CA C 571 65.214 65.214 65.052 0.162 18909 2870 1 8 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.123 -0.088 18909 2871 1 8 . 1 1 571 571 VAL H H 571 8.601 8.601 8.550 0.051 18909 2872 1 8 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.704 -0.227 18909 2873 1 8 . 1 1 572 572 ASN C C 572 175.194 175.194 175.558 -0.364 18909 2874 1 8 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.244 -0.064 18909 2875 1 8 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.127 -1.163 18909 2876 1 8 . 1 1 573 573 THR N N 573 119.345 119.345 118.824 0.521 18909 2877 1 8 . 1 1 573 573 THR HA H 573 4.255 4.255 4.498 -0.243 18909 2878 1 8 . 1 1 573 573 THR CA C 573 62.108 62.108 62.022 0.086 18909 2879 1 8 . 1 1 573 573 THR CB C 573 70.852 70.852 68.802 2.050 18909 2880 1 8 . 1 1 573 573 THR H H 573 7.721 7.721 7.458 0.263 18909 2881 1 8 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.309 -0.023 18909 2882 1 8 . 1 1 574 574 PRO C C 574 176.938 176.938 177.240 -0.302 18909 2883 1 8 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.424 -1.037 18909 2884 1 8 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.054 -0.334 18909 2885 1 8 . 1 1 575 575 GLU N N 575 118.953 118.953 116.605 2.348 18909 2886 1 8 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.485 -0.441 18909 2887 1 8 . 1 1 575 575 GLU C C 575 176.475 176.475 176.926 -0.451 18909 2888 1 8 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.352 1.606 18909 2889 1 8 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.632 -1.311 18909 2890 1 8 . 1 1 575 575 GLU H H 575 9.066 9.066 8.562 0.504 18909 2891 1 8 . 1 1 576 576 ARG N N 576 116.246 116.246 121.492 -5.246 18909 2892 1 8 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.826 -0.873 18909 2893 1 8 . 1 1 576 576 ARG C C 576 177.319 177.319 177.276 0.043 18909 2894 1 8 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.625 0.337 18909 2895 1 8 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.184 0.923 18909 2896 1 8 . 1 1 576 576 ARG H H 576 7.048 7.048 7.629 -0.581 18909 2897 1 8 . 1 1 577 577 TRP N N 577 114.935 114.935 117.657 -2.722 18909 2898 1 8 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.522 -0.456 18909 2899 1 8 . 1 1 577 577 TRP C C 577 177.782 177.782 178.456 -0.674 18909 2900 1 8 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.398 1.292 18909 2901 1 8 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.860 -0.464 18909 2902 1 8 . 1 1 577 577 TRP H H 577 8.238 8.238 8.123 0.115 18909 2903 1 8 . 1 1 578 578 LYS N N 578 122.682 122.682 119.123 3.559 18909 2904 1 8 . 1 1 578 578 LYS HA H 578 3.976 3.976 3.988 -0.012 18909 2905 1 8 . 1 1 578 578 LYS C C 578 178.872 178.872 178.962 -0.090 18909 2906 1 8 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.055 0.736 18909 2907 1 8 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.483 1.231 18909 2908 1 8 . 1 1 578 578 LYS H H 578 7.686 7.686 8.432 -0.746 18909 2909 1 8 . 1 1 579 579 LYS N N 579 118.732 118.732 118.478 0.254 18909 2910 1 8 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.265 -0.664 18909 2911 1 8 . 1 1 579 579 LYS C C 579 179.362 179.362 178.888 0.474 18909 2912 1 8 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.097 0.496 18909 2913 1 8 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.874 -2.305 18909 2914 1 8 . 1 1 579 579 LYS H H 579 7.375 7.375 7.704 -0.329 18909 2915 1 8 . 1 1 580 580 ILE N N 580 120.281 120.281 120.348 -0.067 18909 2916 1 8 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.884 -0.473 18909 2917 1 8 . 1 1 580 580 ILE C C 580 176.747 176.747 177.570 -0.823 18909 2918 1 8 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.627 1.265 18909 2919 1 8 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.729 -0.112 18909 2920 1 8 . 1 1 580 580 ILE H H 580 8.206 8.206 7.659 0.547 18909 2921 1 8 . 1 1 581 581 ALA N N 581 119.004 119.004 122.561 -3.557 18909 2922 1 8 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.063 0.146 18909 2923 1 8 . 1 1 581 581 ALA C C 581 181.487 181.487 178.732 2.755 18909 2924 1 8 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.217 0.134 18909 2925 1 8 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.349 -1.162 18909 2926 1 8 . 1 1 581 581 ALA H H 581 7.944 7.944 8.143 -0.199 18909 2927 1 8 . 1 1 582 582 GLU N N 582 117.557 117.557 117.393 0.164 18909 2928 1 8 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.153 -0.287 18909 2929 1 8 . 1 1 582 582 GLU C C 582 177.659 177.659 178.426 -0.767 18909 2930 1 8 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.220 0.393 18909 2931 1 8 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.771 -0.548 18909 2932 1 8 . 1 1 582 582 GLU H H 582 7.722 7.722 7.889 -0.167 18909 2933 1 8 . 1 1 583 583 ALA N N 583 120.247 120.247 120.666 -0.419 18909 2934 1 8 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.303 0.027 18909 2935 1 8 . 1 1 583 583 ALA C C 583 176.311 176.311 177.800 -1.489 18909 2936 1 8 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.626 -1.093 18909 2937 1 8 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.197 -0.783 18909 2938 1 8 . 1 1 583 583 ALA H H 583 7.486 7.486 7.669 -0.183 18909 2939 1 8 . 1 1 584 584 VAL N N 584 120.230 120.230 119.243 0.987 18909 2940 1 8 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.522 -0.100 18909 2941 1 8 . 1 1 584 584 VAL CA C 584 59.330 59.330 59.178 0.152 18909 2942 1 8 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.557 -0.876 18909 2943 1 8 . 1 1 584 584 VAL H H 584 7.486 7.486 7.666 -0.180 18909 2944 1 8 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.614 -0.379 18909 2945 1 8 . 1 1 585 585 PRO C C 585 178.000 178.000 177.024 0.976 18909 2946 1 8 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.446 1.649 18909 2947 1 8 . 1 1 585 585 PRO CB C 585 31.666 31.666 31.805 -0.139 18909 2948 1 8 . 1 1 586 586 GLY N N 586 111.258 111.258 112.947 -1.689 18909 2949 1 8 . 1 1 586 586 GLY C C 586 174.077 174.077 174.053 0.024 18909 2950 1 8 . 1 1 586 586 GLY CA C 586 45.218 45.218 44.856 0.362 18909 2951 1 8 . 1 1 586 586 GLY H H 586 8.470 8.470 8.427 0.043 18909 2952 1 8 . 1 1 587 587 ARG N N 587 118.885 118.885 121.881 -2.996 18909 2953 1 8 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.540 0.348 18909 2954 1 8 . 1 1 587 587 ARG C C 587 175.875 175.875 175.463 0.412 18909 2955 1 8 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.922 -1.595 18909 2956 1 8 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.472 1.888 18909 2957 1 8 . 1 1 587 587 ARG H H 587 7.588 7.588 7.905 -0.317 18909 2958 1 8 . 1 1 588 588 THR N N 588 111.905 111.905 114.253 -2.348 18909 2959 1 8 . 1 1 588 588 THR HA H 588 4.543 4.543 4.576 -0.033 18909 2960 1 8 . 1 1 588 588 THR C C 588 176.502 176.502 175.743 0.759 18909 2961 1 8 . 1 1 588 588 THR CA C 588 60.335 60.335 60.925 -0.590 18909 2962 1 8 . 1 1 588 588 THR CB C 588 72.376 72.376 70.733 1.643 18909 2963 1 8 . 1 1 588 588 THR H H 588 8.919 8.919 8.302 0.617 18909 2964 1 8 . 1 1 589 589 LYS N N 589 122.529 122.529 122.461 0.068 18909 2965 1 8 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.283 -0.347 18909 2966 1 8 . 1 1 589 589 LYS C C 589 177.945 177.945 178.264 -0.319 18909 2967 1 8 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.060 2.121 18909 2968 1 8 . 1 1 589 589 LYS CB C 589 32.197 32.197 32.012 0.185 18909 2969 1 8 . 1 1 589 589 LYS H H 589 9.076 9.076 8.795 0.281 18909 2970 1 8 . 1 1 590 590 LYS N N 590 118.443 118.443 117.340 1.103 18909 2971 1 8 . 1 1 590 590 LYS HA H 590 3.869 3.869 4.003 -0.134 18909 2972 1 8 . 1 1 590 590 LYS C C 590 178.888 178.888 178.601 0.287 18909 2973 1 8 . 1 1 590 590 LYS CA C 590 59.819 59.819 58.693 1.126 18909 2974 1 8 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.136 1.224 18909 2975 1 8 . 1 1 590 590 LYS H H 590 8.199 8.199 8.180 0.019 18909 2976 1 8 . 1 1 591 591 ASP N N 591 120.281 120.281 119.636 0.645 18909 2977 1 8 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.669 -0.328 18909 2978 1 8 . 1 1 591 591 ASP C C 591 179.771 179.771 178.117 1.654 18909 2979 1 8 . 1 1 591 591 ASP CA C 591 57.258 57.258 56.900 0.358 18909 2980 1 8 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.989 0.769 18909 2981 1 8 . 1 1 591 591 ASP H H 591 7.806 7.806 7.995 -0.189 18909 2982 1 8 . 1 1 592 592 CYS N N 592 118.153 118.153 118.874 -0.721 18909 2983 1 8 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.669 -0.353 18909 2984 1 8 . 1 1 592 592 CYS C C 592 175.773 175.773 177.274 -1.501 18909 2985 1 8 . 1 1 592 592 CYS CA C 592 64.939 64.939 62.851 2.088 18909 2986 1 8 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.599 -0.551 18909 2987 1 8 . 1 1 592 592 CYS H H 592 8.551 8.551 8.179 0.372 18909 2988 1 8 . 1 1 593 593 MET N N 593 119.107 119.107 119.717 -0.610 18909 2989 1 8 . 1 1 593 593 MET HA H 593 3.011 3.011 4.007 -0.996 18909 2990 1 8 . 1 1 593 593 MET C C 593 178.256 178.256 178.109 0.147 18909 2991 1 8 . 1 1 593 593 MET CA C 593 59.546 59.546 59.412 0.134 18909 2992 1 8 . 1 1 593 593 MET CB C 593 33.099 33.099 31.972 1.127 18909 2993 1 8 . 1 1 593 593 MET H H 593 8.226 8.226 8.372 -0.146 18909 2994 1 8 . 1 1 594 594 LYS N N 594 120.230 120.230 120.287 -0.057 18909 2995 1 8 . 1 1 594 594 LYS HA H 594 3.881 3.881 4.019 -0.138 18909 2996 1 8 . 1 1 594 594 LYS C C 594 178.396 178.396 179.164 -0.768 18909 2997 1 8 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.416 -0.061 18909 2998 1 8 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.214 0.306 18909 2999 1 8 . 1 1 594 594 LYS H H 594 7.947 7.947 7.545 0.402 18909 3000 1 8 . 1 1 595 595 ARG N N 595 119.498 119.498 119.370 0.128 18909 3001 1 8 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.340 -0.477 18909 3002 1 8 . 1 1 595 595 ARG C C 595 177.728 177.728 178.699 -0.971 18909 3003 1 8 . 1 1 595 595 ARG CA C 595 56.958 56.958 57.845 -0.887 18909 3004 1 8 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.193 0.239 18909 3005 1 8 . 1 1 595 595 ARG H H 595 7.964 7.964 8.005 -0.041 18909 3006 1 8 . 1 1 596 596 TYR N N 596 118.375 118.375 120.939 -2.564 18909 3007 1 8 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.164 -0.087 18909 3008 1 8 . 1 1 596 596 TYR C C 596 176.072 176.072 177.160 -1.088 18909 3009 1 8 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.026 0.193 18909 3010 1 8 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.395 0.802 18909 3011 1 8 . 1 1 596 596 TYR H H 596 8.161 8.161 8.118 0.043 18909 3012 1 8 . 1 1 597 597 LYS N N 597 117.932 117.932 119.463 -1.531 18909 3013 1 8 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.626 -0.043 18909 3014 1 8 . 1 1 597 597 LYS C C 597 178.941 178.941 178.599 0.342 18909 3015 1 8 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.989 -0.447 18909 3016 1 8 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.097 -0.095 18909 3017 1 8 . 1 1 597 597 LYS H H 597 7.709 7.709 8.025 -0.316 18909 3018 1 8 . 1 1 598 598 GLU N N 598 118.153 118.153 118.966 -0.813 18909 3019 1 8 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.028 -0.161 18909 3020 1 8 . 1 1 598 598 GLU C C 598 179.389 179.389 179.345 0.044 18909 3021 1 8 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.104 -0.130 18909 3022 1 8 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.509 -0.104 18909 3023 1 8 . 1 1 598 598 GLU H H 598 7.709 7.709 7.564 0.145 18909 3024 1 8 . 1 1 599 599 LEU N N 599 121.286 121.286 120.117 1.169 18909 3025 1 8 . 1 1 599 599 LEU HA H 599 3.983 3.983 4.024 -0.041 18909 3026 1 8 . 1 1 599 599 LEU C C 599 179.658 179.658 179.170 0.488 18909 3027 1 8 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.756 0.019 18909 3028 1 8 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.819 -0.469 18909 3029 1 8 . 1 1 599 599 LEU H H 599 8.044 8.044 7.981 0.063 18909 3030 1 8 . 1 1 600 600 VAL N N 600 119.583 119.583 118.743 0.840 18909 3031 1 8 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.578 -0.092 18909 3032 1 8 . 1 1 600 600 VAL C C 600 178.899 178.899 177.430 1.469 18909 3033 1 8 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.017 0.039 18909 3034 1 8 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.708 -0.138 18909 3035 1 8 . 1 1 600 600 VAL H H 600 7.998 7.998 7.889 0.109 18909 3036 1 8 . 1 1 601 601 GLU N N 601 119.073 119.073 119.699 -0.626 18909 3037 1 8 . 1 1 601 601 GLU HA H 601 3.935 3.935 3.950 -0.015 18909 3038 1 8 . 1 1 601 601 GLU C C 601 178.931 178.931 179.091 -0.160 18909 3039 1 8 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.601 -0.954 18909 3040 1 8 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.512 -0.475 18909 3041 1 8 . 1 1 601 601 GLU H H 601 7.795 7.795 7.853 -0.058 18909 3042 1 8 . 1 1 602 602 MET N N 602 119.771 119.771 118.018 1.753 18909 3043 1 8 . 1 1 602 602 MET HA H 602 4.153 4.153 4.235 -0.082 18909 3044 1 8 . 1 1 602 602 MET C C 602 178.353 178.353 178.323 0.030 18909 3045 1 8 . 1 1 602 602 MET CA C 602 58.484 58.484 59.055 -0.571 18909 3046 1 8 . 1 1 602 602 MET CB C 602 32.433 32.433 32.593 -0.161 18909 3047 1 8 . 1 1 602 602 MET H H 602 7.910 7.910 8.055 -0.145 18909 3048 1 8 . 1 1 603 603 VAL N N 603 120.332 120.332 121.003 -0.671 18909 3049 1 8 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.625 0.056 18909 3050 1 8 . 1 1 603 603 VAL C C 603 178.203 178.203 178.057 0.146 18909 3051 1 8 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.244 -0.656 18909 3052 1 8 . 1 1 603 603 VAL CB C 603 31.765 31.765 30.945 0.820 18909 3053 1 8 . 1 1 603 603 VAL H H 603 7.792 7.792 7.806 -0.014 18909 3054 1 8 . 1 1 604 604 LYS N N 604 121.047 121.047 119.486 1.561 18909 3055 1 8 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.043 -0.072 18909 3056 1 8 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.583 -0.716 18909 3057 1 8 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.875 0.868 18909 3058 1 8 . 1 1 604 604 LYS H H 604 7.855 7.855 7.851 0.004 18909 3059 1 8 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.155 0.012 18909 3060 1 8 . 1 1 605 605 ALA C C 605 179.644 179.644 179.849 -0.205 18909 3061 1 8 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.976 -0.905 18909 3062 1 8 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.228 0.158 18909 3063 1 8 . 1 1 606 606 LYS N N 606 120.077 120.077 118.554 1.523 18909 3064 1 8 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.072 0.020 18909 3065 1 8 . 1 1 606 606 LYS C C 606 178.218 178.218 178.989 -0.771 18909 3066 1 8 . 1 1 606 606 LYS CA C 606 57.993 57.993 58.731 -0.738 18909 3067 1 8 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.080 0.253 18909 3068 1 8 . 1 1 606 606 LYS H H 606 7.967 7.967 7.659 0.308 18909 3069 1 8 . 1 1 607 607 LYS N N 607 120.979 120.979 120.022 0.957 18909 3070 1 8 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.059 0.046 18909 3071 1 8 . 1 1 607 607 LYS C C 607 177.864 177.864 178.600 -0.736 18909 3072 1 8 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.672 -0.679 18909 3073 1 8 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.025 0.471 18909 3074 1 8 . 1 1 607 607 LYS H H 607 8.013 8.013 7.949 0.064 18909 3075 1 8 . 1 1 608 608 ALA N N 608 122.801 122.801 121.264 1.537 18909 3076 1 8 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.121 0.039 18909 3077 1 8 . 1 1 608 608 ALA C C 608 179.035 179.035 179.520 -0.485 18909 3078 1 8 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.992 -1.248 18909 3079 1 8 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.121 0.319 18909 3080 1 8 . 1 1 608 608 ALA H H 608 8.034 8.034 7.911 0.123 18909 3081 1 8 . 1 1 609 609 ALA N N 609 121.524 121.524 120.454 1.070 18909 3082 1 8 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.921 0.273 18909 3083 1 8 . 1 1 609 609 ALA C C 609 179.062 179.062 179.951 -0.889 18909 3084 1 8 . 1 1 609 609 ALA CA C 609 53.635 53.635 55.146 -1.511 18909 3085 1 8 . 1 1 609 609 ALA CB C 609 18.495 18.495 17.959 0.536 18909 3086 1 8 . 1 1 609 609 ALA H H 609 7.930 7.930 7.938 -0.008 18909 3087 1 8 . 1 1 610 610 GLN N N 610 118.289 118.289 118.042 0.247 18909 3088 1 8 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.066 0.083 18909 3089 1 8 . 1 1 610 610 GLN C C 610 177.230 177.230 178.443 -1.213 18909 3090 1 8 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.692 -1.652 18909 3091 1 8 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.572 0.356 18909 3092 1 8 . 1 1 610 610 GLN H H 610 7.996 7.996 7.776 0.220 18909 3093 1 8 . 1 1 611 611 GLU N N 611 120.690 120.690 119.672 1.018 18909 3094 1 8 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.081 0.017 18909 3095 1 8 . 1 1 611 611 GLU C C 611 177.237 177.237 179.377 -2.140 18909 3096 1 8 . 1 1 611 611 GLU CA C 611 57.775 57.775 58.961 -1.186 18909 3097 1 8 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.327 0.527 18909 3098 1 8 . 1 1 611 611 GLU H H 611 8.156 8.156 7.768 0.388 18909 3099 1 8 . 1 1 612 612 GLN N N 612 119.771 119.771 117.458 2.313 18909 3100 1 8 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.240 -0.054 18909 3101 1 8 . 1 1 612 612 GLN C C 612 176.949 176.949 178.843 -1.894 18909 3102 1 8 . 1 1 612 612 GLN CA C 612 56.945 56.945 57.748 -0.803 18909 3103 1 8 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.754 0.133 18909 3104 1 8 . 1 1 612 612 GLN H H 612 8.041 8.041 8.202 -0.161 18909 3105 1 8 . 1 1 613 613 VAL N N 613 120.724 120.724 121.018 -0.294 18909 3106 1 8 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.715 0.186 18909 3107 1 8 . 1 1 613 613 VAL C C 613 177.118 177.118 177.952 -0.834 18909 3108 1 8 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.953 -2.239 18909 3109 1 8 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.751 0.400 18909 3110 1 8 . 1 1 613 613 VAL H H 613 7.857 7.857 7.544 0.313 18909 3111 1 8 . 1 1 614 614 LEU N N 614 124.095 124.095 119.385 4.710 18909 3112 1 8 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.868 0.333 18909 3113 1 8 . 1 1 614 614 LEU C C 614 177.918 177.918 178.539 -0.621 18909 3114 1 8 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.844 -1.812 18909 3115 1 8 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.321 0.764 18909 3116 1 8 . 1 1 614 614 LEU H H 614 8.105 8.105 8.202 -0.097 18909 3117 1 8 . 1 1 615 615 ASN N N 615 118.783 118.783 117.579 1.204 18909 3118 1 8 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.344 0.204 18909 3119 1 8 . 1 1 615 615 ASN C C 615 175.745 175.745 176.289 -0.544 18909 3120 1 8 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.069 -1.944 18909 3121 1 8 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.580 0.007 18909 3122 1 8 . 1 1 615 615 ASN H H 615 8.282 8.282 7.942 0.340 18909 3123 1 8 . 1 1 616 616 ALA N N 616 123.857 123.857 119.678 4.179 18909 3124 1 8 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.246 -0.023 18909 3125 1 8 . 1 1 616 616 ALA C C 616 178.327 178.327 179.957 -1.630 18909 3126 1 8 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.347 -1.067 18909 3127 1 8 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.767 0.109 18909 3128 1 8 . 1 1 616 616 ALA H H 616 8.098 8.098 7.708 0.390 18909 3129 1 8 . 1 1 617 617 SER N N 617 114.101 114.101 114.044 0.057 18909 3130 1 8 . 1 1 617 617 SER HA H 617 4.337 4.337 4.358 -0.021 18909 3131 1 8 . 1 1 617 617 SER C C 617 178.463 178.463 175.686 2.777 18909 3132 1 8 . 1 1 617 617 SER CA C 617 58.865 58.865 60.096 -1.231 18909 3133 1 8 . 1 1 617 617 SER CB C 617 63.659 63.659 63.546 0.113 18909 3134 1 8 . 1 1 617 617 SER H H 617 8.098 8.098 7.740 0.358 18909 3135 1 8 . 1 1 618 618 ARG N N 618 122.410 122.410 118.496 3.914 18909 3136 1 8 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.437 -0.170 18909 3137 1 8 . 1 1 618 618 ARG C C 618 175.902 175.902 175.258 0.644 18909 3138 1 8 . 1 1 618 618 ARG CA C 618 56.195 56.195 54.744 1.451 18909 3139 1 8 . 1 1 618 618 ARG CB C 618 30.604 30.604 29.822 0.782 18909 3140 1 8 . 1 1 618 618 ARG H H 618 8.012 8.012 7.735 0.277 18909 3141 1 8 . 1 1 619 619 ALA N N 619 124.555 124.555 123.278 1.277 18909 3142 1 8 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.235 -0.007 18909 3143 1 8 . 1 1 619 619 ALA C C 619 177.455 177.455 176.516 0.939 18909 3144 1 8 . 1 1 619 619 ALA CA C 619 52.491 52.491 51.895 0.596 18909 3145 1 8 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.376 -0.173 18909 3146 1 8 . 1 1 619 619 ALA H H 619 8.039 8.039 7.274 0.765 18909 3147 1 8 . 1 1 620 620 LYS N N 620 121.286 121.286 117.232 4.054 18909 3148 1 8 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.042 0.191 18909 3149 1 8 . 1 1 620 620 LYS C C 620 175.548 175.548 175.650 -0.102 18909 3150 1 8 . 1 1 620 620 LYS CA C 620 56.304 56.304 56.579 -0.275 18909 3151 1 8 . 1 1 620 620 LYS CB C 620 32.974 32.974 32.172 0.802 18909 3152 1 8 . 1 1 620 620 LYS H H 620 8.139 8.139 8.560 -0.421 18909 3153 1 9 . 1 1 552 552 THR N N 552 120.945 120.945 120.074 0.871 18909 3154 1 9 . 1 1 552 552 THR HA H 552 4.505 4.505 4.631 -0.126 18909 3155 1 9 . 1 1 552 552 THR CA C 552 59.439 59.439 58.708 0.731 18909 3156 1 9 . 1 1 552 552 THR CB C 552 69.599 69.599 70.391 -0.792 18909 3157 1 9 . 1 1 552 552 THR H H 552 8.265 8.265 7.752 0.513 18909 3158 1 9 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.282 0.203 18909 3159 1 9 . 1 1 553 553 PRO C C 553 176.938 176.938 176.525 0.413 18909 3160 1 9 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.478 0.636 18909 3161 1 9 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.336 -0.152 18909 3162 1 9 . 1 1 554 554 TRP N N 554 124.095 124.095 121.583 2.512 18909 3163 1 9 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.705 -0.364 18909 3164 1 9 . 1 1 554 554 TRP C C 554 178.191 178.191 177.691 0.500 18909 3165 1 9 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.061 1.423 18909 3166 1 9 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.806 -0.450 18909 3167 1 9 . 1 1 554 554 TRP H H 554 8.989 8.989 8.111 0.878 18909 3168 1 9 . 1 1 555 555 THR N N 555 115.804 115.804 116.904 -1.100 18909 3169 1 9 . 1 1 555 555 THR HA H 555 4.653 4.653 4.561 0.092 18909 3170 1 9 . 1 1 555 555 THR C C 555 176.011 176.011 175.836 0.175 18909 3171 1 9 . 1 1 555 555 THR CA C 555 60.145 60.145 61.084 -0.939 18909 3172 1 9 . 1 1 555 555 THR CB C 555 71.749 71.749 70.572 1.177 18909 3173 1 9 . 1 1 555 555 THR H H 555 8.800 8.800 8.086 0.714 18909 3174 1 9 . 1 1 556 556 THR N N 556 116.791 116.791 116.620 0.171 18909 3175 1 9 . 1 1 556 556 THR HA H 556 3.934 3.934 3.989 -0.055 18909 3176 1 9 . 1 1 556 556 THR C C 556 176.992 176.992 176.495 0.497 18909 3177 1 9 . 1 1 556 556 THR CA C 556 66.329 66.329 67.137 -0.808 18909 3178 1 9 . 1 1 556 556 THR CB C 556 68.616 68.616 68.402 0.214 18909 3179 1 9 . 1 1 556 556 THR H H 556 8.866 8.866 8.626 0.240 18909 3180 1 9 . 1 1 557 557 GLU N N 557 121.303 121.303 120.382 0.921 18909 3181 1 9 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.018 -0.012 18909 3182 1 9 . 1 1 557 557 GLU C C 557 179.310 179.310 178.768 0.542 18909 3183 1 9 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.379 0.847 18909 3184 1 9 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.883 0.272 18909 3185 1 9 . 1 1 557 557 GLU H H 557 8.538 8.538 8.888 -0.350 18909 3186 1 9 . 1 1 558 558 GLU N N 558 119.737 119.737 120.358 -0.621 18909 3187 1 9 . 1 1 558 558 GLU HA H 558 3.915 3.915 3.987 -0.072 18909 3188 1 9 . 1 1 558 558 GLU C C 558 178.844 178.844 179.240 -0.396 18909 3189 1 9 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.431 0.578 18909 3190 1 9 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.509 1.925 18909 3191 1 9 . 1 1 558 558 GLU H H 558 7.831 7.831 7.639 0.192 18909 3192 1 9 . 1 1 559 559 GLN N N 559 119.328 119.328 118.946 0.382 18909 3193 1 9 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.233 -0.116 18909 3194 1 9 . 1 1 559 559 GLN C C 559 178.155 178.155 178.408 -0.253 18909 3195 1 9 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.728 0.627 18909 3196 1 9 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.679 -0.694 18909 3197 1 9 . 1 1 559 559 GLN H H 559 8.608 8.608 8.012 0.596 18909 3198 1 9 . 1 1 560 560 LYS N N 560 119.311 119.311 120.094 -0.783 18909 3199 1 9 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.159 -0.054 18909 3200 1 9 . 1 1 560 560 LYS C C 560 179.880 179.880 179.349 0.531 18909 3201 1 9 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.522 0.215 18909 3202 1 9 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.432 -0.371 18909 3203 1 9 . 1 1 560 560 LYS H H 560 8.000 8.000 7.728 0.272 18909 3204 1 9 . 1 1 561 561 LEU N N 561 120.026 120.026 119.688 0.338 18909 3205 1 9 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.092 0.034 18909 3206 1 9 . 1 1 561 561 LEU C C 561 180.452 180.452 178.744 1.708 18909 3207 1 9 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.507 0.813 18909 3208 1 9 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.671 0.142 18909 3209 1 9 . 1 1 561 561 LEU H H 561 7.814 7.814 8.452 -0.638 18909 3210 1 9 . 1 1 562 562 LEU N N 562 122.427 122.427 121.779 0.648 18909 3211 1 9 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.109 -0.113 18909 3212 1 9 . 1 1 562 562 LEU C C 562 177.428 177.428 178.228 -0.800 18909 3213 1 9 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.646 -0.217 18909 3214 1 9 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.945 -0.078 18909 3215 1 9 . 1 1 562 562 LEU H H 562 8.374 8.374 8.252 0.122 18909 3216 1 9 . 1 1 563 563 GLU N N 563 117.574 117.574 117.615 -0.041 18909 3217 1 9 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.929 -0.090 18909 3218 1 9 . 1 1 563 563 GLU C C 563 179.907 179.907 179.034 0.873 18909 3219 1 9 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.296 0.849 18909 3220 1 9 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.320 0.085 18909 3221 1 9 . 1 1 563 563 GLU H H 563 8.541 8.541 7.840 0.701 18909 3222 1 9 . 1 1 564 564 GLN N N 564 117.659 117.659 119.992 -2.333 18909 3223 1 9 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.006 -0.003 18909 3224 1 9 . 1 1 564 564 GLN C C 564 178.490 178.490 177.914 0.576 18909 3225 1 9 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.852 -0.477 18909 3226 1 9 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.683 -0.176 18909 3227 1 9 . 1 1 564 564 GLN H H 564 8.098 8.098 8.204 -0.106 18909 3228 1 9 . 1 1 565 565 ALA N N 565 125.117 125.117 121.432 3.685 18909 3229 1 9 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.954 0.139 18909 3230 1 9 . 1 1 565 565 ALA C C 565 178.681 178.681 179.908 -1.227 18909 3231 1 9 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.615 0.709 18909 3232 1 9 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.385 0.927 18909 3233 1 9 . 1 1 565 565 ALA H H 565 8.270 8.270 7.788 0.482 18909 3234 1 9 . 1 1 566 566 LEU N N 566 117.217 117.217 118.772 -1.555 18909 3235 1 9 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.931 -0.350 18909 3236 1 9 . 1 1 566 566 LEU C C 566 178.409 178.409 179.339 -0.930 18909 3237 1 9 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.956 0.600 18909 3238 1 9 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.648 0.396 18909 3239 1 9 . 1 1 566 566 LEU H H 566 8.170 8.170 8.241 -0.071 18909 3240 1 9 . 1 1 567 567 LYS N N 567 115.429 115.429 119.698 -4.269 18909 3241 1 9 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.135 -0.207 18909 3242 1 9 . 1 1 567 567 LYS C C 567 177.809 177.809 177.742 0.067 18909 3243 1 9 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.924 -1.258 18909 3244 1 9 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.477 0.237 18909 3245 1 9 . 1 1 567 567 LYS H H 567 6.960 6.960 7.788 -0.828 18909 3246 1 9 . 1 1 568 568 THR N N 568 117.847 117.847 113.901 3.946 18909 3247 1 9 . 1 1 568 568 THR HA H 568 3.468 3.468 4.025 -0.557 18909 3248 1 9 . 1 1 568 568 THR C C 568 173.447 173.447 174.393 -0.946 18909 3249 1 9 . 1 1 568 568 THR CA C 568 65.620 65.620 64.552 1.068 18909 3250 1 9 . 1 1 568 568 THR CB C 568 69.080 69.080 69.143 -0.063 18909 3251 1 9 . 1 1 568 568 THR H H 568 8.024 8.024 7.459 0.565 18909 3252 1 9 . 1 1 569 569 TYR N N 569 118.409 118.409 120.639 -2.230 18909 3253 1 9 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.871 0.029 18909 3254 1 9 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.126 -0.326 18909 3255 1 9 . 1 1 569 569 TYR CB C 569 37.265 37.265 38.111 -0.846 18909 3256 1 9 . 1 1 569 569 TYR H H 569 7.690 7.690 7.548 0.142 18909 3257 1 9 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.456 0.051 18909 3258 1 9 . 1 1 570 570 PRO C C 570 177.728 177.728 178.164 -0.436 18909 3259 1 9 . 1 1 570 570 PRO CA C 570 62.297 62.297 61.954 0.343 18909 3260 1 9 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.934 0.638 18909 3261 1 9 . 1 1 571 571 VAL N N 571 120.230 120.230 119.842 0.388 18909 3262 1 9 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.586 -0.119 18909 3263 1 9 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.720 0.494 18909 3264 1 9 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.153 -0.118 18909 3265 1 9 . 1 1 571 571 VAL H H 571 8.601 8.601 8.514 0.087 18909 3266 1 9 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.650 -0.173 18909 3267 1 9 . 1 1 572 572 ASN C C 572 175.194 175.194 175.689 -0.495 18909 3268 1 9 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.154 0.026 18909 3269 1 9 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.149 -1.185 18909 3270 1 9 . 1 1 573 573 THR N N 573 119.345 119.345 118.573 0.772 18909 3271 1 9 . 1 1 573 573 THR HA H 573 4.255 4.255 4.496 -0.241 18909 3272 1 9 . 1 1 573 573 THR CA C 573 62.108 62.108 60.948 1.160 18909 3273 1 9 . 1 1 573 573 THR CB C 573 70.852 70.852 69.272 1.580 18909 3274 1 9 . 1 1 573 573 THR H H 573 7.721 7.721 7.422 0.299 18909 3275 1 9 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.428 -0.142 18909 3276 1 9 . 1 1 574 574 PRO C C 574 176.938 176.938 176.708 0.230 18909 3277 1 9 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.331 -0.943 18909 3278 1 9 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.094 -0.374 18909 3279 1 9 . 1 1 575 575 GLU N N 575 118.953 118.953 117.125 1.828 18909 3280 1 9 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.515 -0.471 18909 3281 1 9 . 1 1 575 575 GLU C C 575 176.475 176.475 177.254 -0.779 18909 3282 1 9 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.210 1.748 18909 3283 1 9 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.639 -1.317 18909 3284 1 9 . 1 1 575 575 GLU H H 575 9.066 9.066 8.453 0.613 18909 3285 1 9 . 1 1 576 576 ARG N N 576 116.246 116.246 121.487 -5.241 18909 3286 1 9 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.715 -0.762 18909 3287 1 9 . 1 1 576 576 ARG C C 576 177.319 177.319 177.249 0.070 18909 3288 1 9 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.716 0.246 18909 3289 1 9 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.109 0.998 18909 3290 1 9 . 1 1 576 576 ARG H H 576 7.048 7.048 7.437 -0.389 18909 3291 1 9 . 1 1 577 577 TRP N N 577 114.935 114.935 116.112 -1.177 18909 3292 1 9 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.462 -0.396 18909 3293 1 9 . 1 1 577 577 TRP C C 577 177.782 177.782 178.239 -0.457 18909 3294 1 9 . 1 1 577 577 TRP CA C 577 60.690 60.690 58.933 1.757 18909 3295 1 9 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.890 -0.494 18909 3296 1 9 . 1 1 577 577 TRP H H 577 8.238 8.238 8.002 0.236 18909 3297 1 9 . 1 1 578 578 LYS N N 578 122.682 122.682 119.627 3.055 18909 3298 1 9 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.078 -0.102 18909 3299 1 9 . 1 1 578 578 LYS C C 578 178.872 178.872 178.660 0.212 18909 3300 1 9 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.087 0.704 18909 3301 1 9 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.742 0.972 18909 3302 1 9 . 1 1 578 578 LYS H H 578 7.686 7.686 7.594 0.092 18909 3303 1 9 . 1 1 579 579 LYS N N 579 118.732 118.732 120.149 -1.417 18909 3304 1 9 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.191 -0.590 18909 3305 1 9 . 1 1 579 579 LYS C C 579 179.362 179.362 178.900 0.462 18909 3306 1 9 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.554 0.039 18909 3307 1 9 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.883 -2.314 18909 3308 1 9 . 1 1 579 579 LYS H H 579 7.375 7.375 7.625 -0.250 18909 3309 1 9 . 1 1 580 580 ILE N N 580 120.281 120.281 119.755 0.526 18909 3310 1 9 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.854 -0.443 18909 3311 1 9 . 1 1 580 580 ILE C C 580 176.747 176.747 177.576 -0.829 18909 3312 1 9 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.720 1.172 18909 3313 1 9 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.794 -0.176 18909 3314 1 9 . 1 1 580 580 ILE H H 580 8.206 8.206 8.025 0.181 18909 3315 1 9 . 1 1 581 581 ALA N N 581 119.004 119.004 122.871 -3.867 18909 3316 1 9 . 1 1 581 581 ALA HA H 581 4.209 4.209 3.999 0.210 18909 3317 1 9 . 1 1 581 581 ALA C C 581 181.487 181.487 178.874 2.613 18909 3318 1 9 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.246 0.105 18909 3319 1 9 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.285 -1.098 18909 3320 1 9 . 1 1 581 581 ALA H H 581 7.944 7.944 7.854 0.090 18909 3321 1 9 . 1 1 582 582 GLU N N 582 117.557 117.557 117.338 0.219 18909 3322 1 9 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.107 -0.241 18909 3323 1 9 . 1 1 582 582 GLU C C 582 177.659 177.659 178.625 -0.966 18909 3324 1 9 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.267 0.346 18909 3325 1 9 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.701 -0.478 18909 3326 1 9 . 1 1 582 582 GLU H H 582 7.722 7.722 7.809 -0.087 18909 3327 1 9 . 1 1 583 583 ALA N N 583 120.247 120.247 120.654 -0.407 18909 3328 1 9 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.258 0.072 18909 3329 1 9 . 1 1 583 583 ALA C C 583 176.311 176.311 177.872 -1.561 18909 3330 1 9 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.733 -1.200 18909 3331 1 9 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.037 -0.623 18909 3332 1 9 . 1 1 583 583 ALA H H 583 7.486 7.486 7.522 -0.036 18909 3333 1 9 . 1 1 584 584 VAL N N 584 120.230 120.230 119.190 1.040 18909 3334 1 9 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.508 -0.086 18909 3335 1 9 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.781 0.549 18909 3336 1 9 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.559 -0.878 18909 3337 1 9 . 1 1 584 584 VAL H H 584 7.486 7.486 7.691 -0.205 18909 3338 1 9 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.519 -0.284 18909 3339 1 9 . 1 1 585 585 PRO C C 585 178.000 178.000 178.318 -0.318 18909 3340 1 9 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.722 1.373 18909 3341 1 9 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.399 -0.733 18909 3342 1 9 . 1 1 586 586 GLY N N 586 111.258 111.258 109.308 1.950 18909 3343 1 9 . 1 1 586 586 GLY C C 586 174.077 174.077 174.140 -0.063 18909 3344 1 9 . 1 1 586 586 GLY CA C 586 45.218 45.218 44.987 0.231 18909 3345 1 9 . 1 1 586 586 GLY H H 586 8.470 8.470 8.609 -0.139 18909 3346 1 9 . 1 1 587 587 ARG N N 587 118.885 118.885 123.124 -4.239 18909 3347 1 9 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.297 0.591 18909 3348 1 9 . 1 1 587 587 ARG C C 587 175.875 175.875 176.275 -0.400 18909 3349 1 9 . 1 1 587 587 ARG CA C 587 52.327 52.327 54.783 -2.456 18909 3350 1 9 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.741 1.619 18909 3351 1 9 . 1 1 587 587 ARG H H 587 7.588 7.588 7.423 0.165 18909 3352 1 9 . 1 1 588 588 THR N N 588 111.905 111.905 114.241 -2.336 18909 3353 1 9 . 1 1 588 588 THR HA H 588 4.543 4.543 4.674 -0.131 18909 3354 1 9 . 1 1 588 588 THR C C 588 176.502 176.502 175.632 0.870 18909 3355 1 9 . 1 1 588 588 THR CA C 588 60.335 60.335 60.387 -0.052 18909 3356 1 9 . 1 1 588 588 THR CB C 588 72.376 72.376 70.718 1.658 18909 3357 1 9 . 1 1 588 588 THR H H 588 8.919 8.919 8.576 0.343 18909 3358 1 9 . 1 1 589 589 LYS N N 589 122.529 122.529 121.893 0.636 18909 3359 1 9 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.080 -0.144 18909 3360 1 9 . 1 1 589 589 LYS C C 589 177.945 177.945 178.600 -0.655 18909 3361 1 9 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.528 1.653 18909 3362 1 9 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.757 0.440 18909 3363 1 9 . 1 1 589 589 LYS H H 589 9.076 9.076 8.735 0.341 18909 3364 1 9 . 1 1 590 590 LYS N N 590 118.443 118.443 117.104 1.339 18909 3365 1 9 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.956 -0.087 18909 3366 1 9 . 1 1 590 590 LYS C C 590 178.888 178.888 177.743 1.145 18909 3367 1 9 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.188 0.631 18909 3368 1 9 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.796 0.564 18909 3369 1 9 . 1 1 590 590 LYS H H 590 8.199 8.199 8.278 -0.079 18909 3370 1 9 . 1 1 591 591 ASP N N 591 120.281 120.281 121.616 -1.335 18909 3371 1 9 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.675 -0.334 18909 3372 1 9 . 1 1 591 591 ASP C C 591 179.771 179.771 178.725 1.046 18909 3373 1 9 . 1 1 591 591 ASP CA C 591 57.258 57.258 56.968 0.290 18909 3374 1 9 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.490 1.268 18909 3375 1 9 . 1 1 591 591 ASP H H 591 7.806 7.806 7.782 0.024 18909 3376 1 9 . 1 1 592 592 CYS N N 592 118.153 118.153 118.801 -0.648 18909 3377 1 9 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.485 -0.169 18909 3378 1 9 . 1 1 592 592 CYS C C 592 175.773 175.773 177.396 -1.623 18909 3379 1 9 . 1 1 592 592 CYS CA C 592 64.939 64.939 64.219 0.720 18909 3380 1 9 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.635 -0.587 18909 3381 1 9 . 1 1 592 592 CYS H H 592 8.551 8.551 8.053 0.498 18909 3382 1 9 . 1 1 593 593 MET N N 593 119.107 119.107 119.594 -0.487 18909 3383 1 9 . 1 1 593 593 MET HA H 593 3.011 3.011 3.920 -0.909 18909 3384 1 9 . 1 1 593 593 MET C C 593 178.256 178.256 177.943 0.313 18909 3385 1 9 . 1 1 593 593 MET CA C 593 59.546 59.546 59.230 0.316 18909 3386 1 9 . 1 1 593 593 MET CB C 593 33.099 33.099 32.266 0.834 18909 3387 1 9 . 1 1 593 593 MET H H 593 8.226 8.226 8.122 0.104 18909 3388 1 9 . 1 1 594 594 LYS N N 594 120.230 120.230 119.793 0.437 18909 3389 1 9 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.987 -0.106 18909 3390 1 9 . 1 1 594 594 LYS C C 594 178.396 178.396 179.270 -0.874 18909 3391 1 9 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.780 -0.425 18909 3392 1 9 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.298 0.222 18909 3393 1 9 . 1 1 594 594 LYS H H 594 7.947 7.947 7.941 0.006 18909 3394 1 9 . 1 1 595 595 ARG N N 595 119.498 119.498 119.979 -0.481 18909 3395 1 9 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.320 -0.457 18909 3396 1 9 . 1 1 595 595 ARG C C 595 177.728 177.728 178.523 -0.795 18909 3397 1 9 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.147 -1.189 18909 3398 1 9 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.569 -0.137 18909 3399 1 9 . 1 1 595 595 ARG H H 595 7.964 7.964 8.342 -0.378 18909 3400 1 9 . 1 1 596 596 TYR N N 596 118.375 118.375 121.210 -2.835 18909 3401 1 9 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.253 -0.176 18909 3402 1 9 . 1 1 596 596 TYR C C 596 176.072 176.072 177.412 -1.340 18909 3403 1 9 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.105 0.114 18909 3404 1 9 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.518 0.679 18909 3405 1 9 . 1 1 596 596 TYR H H 596 8.161 8.161 8.109 0.052 18909 3406 1 9 . 1 1 597 597 LYS N N 597 117.932 117.932 119.298 -1.366 18909 3407 1 9 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.735 -0.152 18909 3408 1 9 . 1 1 597 597 LYS C C 597 178.941 178.941 178.813 0.128 18909 3409 1 9 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.226 0.316 18909 3410 1 9 . 1 1 597 597 LYS CB C 597 32.002 32.002 31.903 0.099 18909 3411 1 9 . 1 1 597 597 LYS H H 597 7.709 7.709 8.096 -0.387 18909 3412 1 9 . 1 1 598 598 GLU N N 598 118.153 118.153 119.859 -1.706 18909 3413 1 9 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.976 -0.109 18909 3414 1 9 . 1 1 598 598 GLU C C 598 179.389 179.389 179.046 0.343 18909 3415 1 9 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.300 -0.326 18909 3416 1 9 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.511 -0.106 18909 3417 1 9 . 1 1 598 598 GLU H H 598 7.709 7.709 7.671 0.038 18909 3418 1 9 . 1 1 599 599 LEU N N 599 121.286 121.286 120.104 1.182 18909 3419 1 9 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.966 0.017 18909 3420 1 9 . 1 1 599 599 LEU C C 599 179.658 179.658 179.175 0.483 18909 3421 1 9 . 1 1 599 599 LEU CA C 599 57.775 57.775 58.009 -0.234 18909 3422 1 9 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.771 -0.421 18909 3423 1 9 . 1 1 599 599 LEU H H 599 8.044 8.044 8.025 0.019 18909 3424 1 9 . 1 1 600 600 VAL N N 600 119.583 119.583 118.814 0.769 18909 3425 1 9 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.519 -0.033 18909 3426 1 9 . 1 1 600 600 VAL C C 600 178.899 178.899 177.602 1.297 18909 3427 1 9 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.374 -0.318 18909 3428 1 9 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.582 -0.012 18909 3429 1 9 . 1 1 600 600 VAL H H 600 7.998 7.998 8.217 -0.219 18909 3430 1 9 . 1 1 601 601 GLU N N 601 119.073 119.073 119.159 -0.086 18909 3431 1 9 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.027 -0.092 18909 3432 1 9 . 1 1 601 601 GLU C C 601 178.931 178.931 179.286 -0.355 18909 3433 1 9 . 1 1 601 601 GLU CA C 601 58.647 58.647 58.913 -0.265 18909 3434 1 9 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.196 -0.159 18909 3435 1 9 . 1 1 601 601 GLU H H 601 7.795 7.795 7.712 0.083 18909 3436 1 9 . 1 1 602 602 MET N N 602 119.771 119.771 119.647 0.124 18909 3437 1 9 . 1 1 602 602 MET HA H 602 4.153 4.153 4.161 -0.008 18909 3438 1 9 . 1 1 602 602 MET C C 602 178.353 178.353 178.483 -0.130 18909 3439 1 9 . 1 1 602 602 MET CA C 602 58.484 58.484 59.655 -1.171 18909 3440 1 9 . 1 1 602 602 MET CB C 602 32.433 32.433 32.868 -0.435 18909 3441 1 9 . 1 1 602 602 MET H H 602 7.910 7.910 8.262 -0.352 18909 3442 1 9 . 1 1 603 603 VAL N N 603 120.332 120.332 120.006 0.326 18909 3443 1 9 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.501 0.180 18909 3444 1 9 . 1 1 603 603 VAL C C 603 178.203 178.203 178.005 0.198 18909 3445 1 9 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.723 -1.135 18909 3446 1 9 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.204 0.561 18909 3447 1 9 . 1 1 603 603 VAL H H 603 7.792 7.792 8.035 -0.243 18909 3448 1 9 . 1 1 604 604 LYS N N 604 121.047 121.047 119.361 1.686 18909 3449 1 9 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.962 0.009 18909 3450 1 9 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.763 -0.896 18909 3451 1 9 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.148 0.595 18909 3452 1 9 . 1 1 604 604 LYS H H 604 7.855 7.855 7.972 -0.117 18909 3453 1 9 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.101 0.066 18909 3454 1 9 . 1 1 605 605 ALA C C 605 179.644 179.644 179.763 -0.119 18909 3455 1 9 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.103 -1.032 18909 3456 1 9 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.228 0.158 18909 3457 1 9 . 1 1 606 606 LYS N N 606 120.077 120.077 118.338 1.739 18909 3458 1 9 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.888 0.204 18909 3459 1 9 . 1 1 606 606 LYS C C 606 178.218 178.218 178.967 -0.749 18909 3460 1 9 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.801 -1.808 18909 3461 1 9 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.213 0.120 18909 3462 1 9 . 1 1 606 606 LYS H H 606 7.967 7.967 8.085 -0.118 18909 3463 1 9 . 1 1 607 607 LYS N N 607 120.979 120.979 119.624 1.355 18909 3464 1 9 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.021 0.084 18909 3465 1 9 . 1 1 607 607 LYS C C 607 177.864 177.864 178.757 -0.893 18909 3466 1 9 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.214 -1.221 18909 3467 1 9 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.519 -0.023 18909 3468 1 9 . 1 1 607 607 LYS H H 607 8.013 8.013 7.625 0.388 18909 3469 1 9 . 1 1 608 608 ALA N N 608 122.801 122.801 121.044 1.757 18909 3470 1 9 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.097 0.063 18909 3471 1 9 . 1 1 608 608 ALA C C 608 179.035 179.035 179.522 -0.487 18909 3472 1 9 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.901 -1.157 18909 3473 1 9 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.360 0.080 18909 3474 1 9 . 1 1 608 608 ALA H H 608 8.034 8.034 7.916 0.118 18909 3475 1 9 . 1 1 609 609 ALA N N 609 121.524 121.524 119.942 1.582 18909 3476 1 9 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.100 0.094 18909 3477 1 9 . 1 1 609 609 ALA C C 609 179.062 179.062 179.629 -0.567 18909 3478 1 9 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.697 -1.062 18909 3479 1 9 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.425 0.070 18909 3480 1 9 . 1 1 609 609 ALA H H 609 7.930 7.930 7.996 -0.066 18909 3481 1 9 . 1 1 610 610 GLN N N 610 118.289 118.289 117.865 0.424 18909 3482 1 9 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.227 -0.078 18909 3483 1 9 . 1 1 610 610 GLN C C 610 177.230 177.230 177.818 -0.588 18909 3484 1 9 . 1 1 610 610 GLN CA C 610 57.040 57.040 57.813 -0.773 18909 3485 1 9 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.890 0.038 18909 3486 1 9 . 1 1 610 610 GLN H H 610 7.996 7.996 7.789 0.207 18909 3487 1 9 . 1 1 611 611 GLU N N 611 120.690 120.690 120.836 -0.146 18909 3488 1 9 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.029 0.069 18909 3489 1 9 . 1 1 611 611 GLU C C 611 177.237 177.237 178.595 -1.358 18909 3490 1 9 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.563 -1.788 18909 3491 1 9 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.609 0.245 18909 3492 1 9 . 1 1 611 611 GLU H H 611 8.156 8.156 8.223 -0.067 18909 3493 1 9 . 1 1 612 612 GLN N N 612 119.771 119.771 117.744 2.027 18909 3494 1 9 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.125 0.061 18909 3495 1 9 . 1 1 612 612 GLN C C 612 176.949 176.949 178.510 -1.561 18909 3496 1 9 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.745 -1.800 18909 3497 1 9 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.420 0.467 18909 3498 1 9 . 1 1 612 612 GLN H H 612 8.041 8.041 8.111 -0.070 18909 3499 1 9 . 1 1 613 613 VAL N N 613 120.724 120.724 120.649 0.075 18909 3500 1 9 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.822 0.079 18909 3501 1 9 . 1 1 613 613 VAL C C 613 177.118 177.118 177.607 -0.489 18909 3502 1 9 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.413 -1.699 18909 3503 1 9 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.610 0.541 18909 3504 1 9 . 1 1 613 613 VAL H H 613 7.857 7.857 7.584 0.273 18909 3505 1 9 . 1 1 614 614 LEU N N 614 124.095 124.095 121.712 2.383 18909 3506 1 9 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.848 0.353 18909 3507 1 9 . 1 1 614 614 LEU C C 614 177.918 177.918 178.282 -0.364 18909 3508 1 9 . 1 1 614 614 LEU CA C 614 56.032 56.032 58.404 -2.372 18909 3509 1 9 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.681 0.404 18909 3510 1 9 . 1 1 614 614 LEU H H 614 8.105 8.105 8.063 0.042 18909 3511 1 9 . 1 1 615 615 ASN N N 615 118.783 118.783 117.284 1.499 18909 3512 1 9 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.440 0.108 18909 3513 1 9 . 1 1 615 615 ASN C C 615 175.745 175.745 177.902 -2.157 18909 3514 1 9 . 1 1 615 615 ASN CA C 615 54.125 54.125 55.962 -1.837 18909 3515 1 9 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.182 0.405 18909 3516 1 9 . 1 1 615 615 ASN H H 615 8.282 8.282 8.421 -0.139 18909 3517 1 9 . 1 1 616 616 ALA N N 616 123.857 123.857 121.484 2.373 18909 3518 1 9 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.206 0.017 18909 3519 1 9 . 1 1 616 616 ALA C C 616 178.327 178.327 178.500 -0.173 18909 3520 1 9 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.356 -1.076 18909 3521 1 9 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.517 0.359 18909 3522 1 9 . 1 1 616 616 ALA H H 616 8.098 8.098 7.444 0.654 18909 3523 1 9 . 1 1 617 617 SER N N 617 114.101 114.101 113.561 0.540 18909 3524 1 9 . 1 1 617 617 SER HA H 617 4.337 4.337 4.306 0.031 18909 3525 1 9 . 1 1 617 617 SER C C 617 178.463 178.463 176.794 1.669 18909 3526 1 9 . 1 1 617 617 SER CA C 617 58.865 58.865 60.964 -2.099 18909 3527 1 9 . 1 1 617 617 SER CB C 617 63.659 63.659 63.568 0.091 18909 3528 1 9 . 1 1 617 617 SER H H 617 8.098 8.098 7.712 0.386 18909 3529 1 9 . 1 1 618 618 ARG N N 618 122.410 122.410 119.652 2.758 18909 3530 1 9 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.347 -0.080 18909 3531 1 9 . 1 1 618 618 ARG C C 618 175.902 175.902 176.382 -0.480 18909 3532 1 9 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.712 0.484 18909 3533 1 9 . 1 1 618 618 ARG CB C 618 30.604 30.604 29.806 0.798 18909 3534 1 9 . 1 1 618 618 ARG H H 618 8.012 8.012 7.683 0.329 18909 3535 1 9 . 1 1 619 619 ALA N N 619 124.555 124.555 124.093 0.462 18909 3536 1 9 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.317 -0.089 18909 3537 1 9 . 1 1 619 619 ALA C C 619 177.455 177.455 176.455 1.000 18909 3538 1 9 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.432 0.059 18909 3539 1 9 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.398 -0.195 18909 3540 1 9 . 1 1 619 619 ALA H H 619 8.039 8.039 7.399 0.640 18909 3541 1 9 . 1 1 620 620 LYS N N 620 121.286 121.286 121.312 -0.026 18909 3542 1 9 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.500 -0.267 18909 3543 1 9 . 1 1 620 620 LYS C C 620 175.548 175.548 175.558 -0.010 18909 3544 1 9 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.595 0.709 18909 3545 1 9 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.121 -0.147 18909 3546 1 9 . 1 1 620 620 LYS H H 620 8.139 8.139 8.155 -0.016 18909 3547 1 10 . 1 1 552 552 THR N N 552 120.945 120.945 120.374 0.571 18909 3548 1 10 . 1 1 552 552 THR HA H 552 4.505 4.505 4.336 0.169 18909 3549 1 10 . 1 1 552 552 THR CA C 552 59.439 59.439 59.867 -0.428 18909 3550 1 10 . 1 1 552 552 THR CB C 552 69.599 69.599 69.213 0.386 18909 3551 1 10 . 1 1 552 552 THR H H 552 8.265 8.265 7.982 0.283 18909 3552 1 10 . 1 1 553 553 PRO HA H 553 4.485 4.485 3.931 0.554 18909 3553 1 10 . 1 1 553 553 PRO C C 553 176.938 176.938 176.053 0.885 18909 3554 1 10 . 1 1 553 553 PRO CA C 553 63.114 63.114 61.593 1.521 18909 3555 1 10 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.676 -0.492 18909 3556 1 10 . 1 1 554 554 TRP N N 554 124.095 124.095 119.416 4.679 18909 3557 1 10 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.418 -0.077 18909 3558 1 10 . 1 1 554 554 TRP C C 554 178.191 178.191 176.581 1.610 18909 3559 1 10 . 1 1 554 554 TRP CA C 554 58.484 58.484 58.080 0.404 18909 3560 1 10 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.769 -0.413 18909 3561 1 10 . 1 1 554 554 TRP H H 554 8.989 8.989 8.403 0.586 18909 3562 1 10 . 1 1 555 555 THR N N 555 115.804 115.804 117.798 -1.994 18909 3563 1 10 . 1 1 555 555 THR HA H 555 4.653 4.653 4.530 0.123 18909 3564 1 10 . 1 1 555 555 THR C C 555 176.011 176.011 175.835 0.176 18909 3565 1 10 . 1 1 555 555 THR CA C 555 60.145 60.145 61.200 -1.055 18909 3566 1 10 . 1 1 555 555 THR CB C 555 71.749 71.749 70.285 1.464 18909 3567 1 10 . 1 1 555 555 THR H H 555 8.800 8.800 8.012 0.788 18909 3568 1 10 . 1 1 556 556 THR N N 556 116.791 116.791 116.481 0.310 18909 3569 1 10 . 1 1 556 556 THR HA H 556 3.934 3.934 3.924 0.010 18909 3570 1 10 . 1 1 556 556 THR C C 556 176.992 176.992 176.571 0.421 18909 3571 1 10 . 1 1 556 556 THR CA C 556 66.329 66.329 67.274 -0.945 18909 3572 1 10 . 1 1 556 556 THR CB C 556 68.616 68.616 68.647 -0.031 18909 3573 1 10 . 1 1 556 556 THR H H 556 8.866 8.866 8.499 0.367 18909 3574 1 10 . 1 1 557 557 GLU N N 557 121.303 121.303 120.856 0.447 18909 3575 1 10 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.124 -0.118 18909 3576 1 10 . 1 1 557 557 GLU C C 557 179.310 179.310 179.021 0.289 18909 3577 1 10 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.146 1.080 18909 3578 1 10 . 1 1 557 557 GLU CB C 557 29.155 29.155 29.031 0.124 18909 3579 1 10 . 1 1 557 557 GLU H H 557 8.538 8.538 8.550 -0.012 18909 3580 1 10 . 1 1 558 558 GLU N N 558 119.737 119.737 120.096 -0.359 18909 3581 1 10 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.103 -0.188 18909 3582 1 10 . 1 1 558 558 GLU C C 558 178.844 178.844 179.202 -0.358 18909 3583 1 10 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.687 0.322 18909 3584 1 10 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.420 2.014 18909 3585 1 10 . 1 1 558 558 GLU H H 558 7.831 7.831 7.935 -0.104 18909 3586 1 10 . 1 1 559 559 GLN N N 559 119.328 119.328 119.055 0.273 18909 3587 1 10 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.210 -0.093 18909 3588 1 10 . 1 1 559 559 GLN C C 559 178.155 178.155 178.359 -0.204 18909 3589 1 10 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.861 0.494 18909 3590 1 10 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.876 -0.891 18909 3591 1 10 . 1 1 559 559 GLN H H 559 8.608 8.608 8.249 0.359 18909 3592 1 10 . 1 1 560 560 LYS N N 560 119.311 119.311 120.722 -1.411 18909 3593 1 10 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.189 -0.084 18909 3594 1 10 . 1 1 560 560 LYS C C 560 179.880 179.880 179.334 0.546 18909 3595 1 10 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.559 0.179 18909 3596 1 10 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.298 -0.237 18909 3597 1 10 . 1 1 560 560 LYS H H 560 8.000 8.000 7.813 0.187 18909 3598 1 10 . 1 1 561 561 LEU N N 561 120.026 120.026 119.924 0.102 18909 3599 1 10 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.025 0.101 18909 3600 1 10 . 1 1 561 561 LEU C C 561 180.452 180.452 179.099 1.353 18909 3601 1 10 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.776 0.544 18909 3602 1 10 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.711 0.102 18909 3603 1 10 . 1 1 561 561 LEU H H 561 7.814 7.814 7.816 -0.002 18909 3604 1 10 . 1 1 562 562 LEU N N 562 122.427 122.427 120.898 1.529 18909 3605 1 10 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.083 -0.087 18909 3606 1 10 . 1 1 562 562 LEU C C 562 177.428 177.428 178.222 -0.794 18909 3607 1 10 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.236 0.193 18909 3608 1 10 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.674 0.193 18909 3609 1 10 . 1 1 562 562 LEU H H 562 8.374 8.374 7.768 0.606 18909 3610 1 10 . 1 1 563 563 GLU N N 563 117.574 117.574 117.813 -0.239 18909 3611 1 10 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.854 -0.015 18909 3612 1 10 . 1 1 563 563 GLU C C 563 179.907 179.907 179.097 0.810 18909 3613 1 10 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.396 0.749 18909 3614 1 10 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.301 0.104 18909 3615 1 10 . 1 1 563 563 GLU H H 563 8.541 8.541 8.349 0.192 18909 3616 1 10 . 1 1 564 564 GLN N N 564 117.659 117.659 118.643 -0.984 18909 3617 1 10 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.123 -0.120 18909 3618 1 10 . 1 1 564 564 GLN C C 564 178.490 178.490 177.754 0.736 18909 3619 1 10 . 1 1 564 564 GLN CA C 564 58.375 58.375 57.981 0.394 18909 3620 1 10 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.495 0.012 18909 3621 1 10 . 1 1 564 564 GLN H H 564 8.098 8.098 7.769 0.329 18909 3622 1 10 . 1 1 565 565 ALA N N 565 125.117 125.117 122.630 2.487 18909 3623 1 10 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.960 0.133 18909 3624 1 10 . 1 1 565 565 ALA C C 565 178.681 178.681 179.944 -1.263 18909 3625 1 10 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.811 0.513 18909 3626 1 10 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.160 1.152 18909 3627 1 10 . 1 1 565 565 ALA H H 565 8.270 8.270 7.812 0.458 18909 3628 1 10 . 1 1 566 566 LEU N N 566 117.217 117.217 117.099 0.118 18909 3629 1 10 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.788 -0.207 18909 3630 1 10 . 1 1 566 566 LEU C C 566 178.409 178.409 179.220 -0.811 18909 3631 1 10 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.222 0.334 18909 3632 1 10 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.444 0.599 18909 3633 1 10 . 1 1 566 566 LEU H H 566 8.170 8.170 8.228 -0.058 18909 3634 1 10 . 1 1 567 567 LYS N N 567 115.429 115.429 118.603 -3.174 18909 3635 1 10 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.168 -0.240 18909 3636 1 10 . 1 1 567 567 LYS C C 567 177.809 177.809 178.010 -0.201 18909 3637 1 10 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.649 -0.983 18909 3638 1 10 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.426 0.288 18909 3639 1 10 . 1 1 567 567 LYS H H 567 6.960 6.960 7.683 -0.723 18909 3640 1 10 . 1 1 568 568 THR N N 568 117.847 117.847 114.122 3.725 18909 3641 1 10 . 1 1 568 568 THR HA H 568 3.468 3.468 3.952 -0.484 18909 3642 1 10 . 1 1 568 568 THR C C 568 173.447 173.447 174.517 -1.070 18909 3643 1 10 . 1 1 568 568 THR CA C 568 65.620 65.620 64.933 0.687 18909 3644 1 10 . 1 1 568 568 THR CB C 568 69.080 69.080 69.015 0.065 18909 3645 1 10 . 1 1 568 568 THR H H 568 8.024 8.024 7.682 0.342 18909 3646 1 10 . 1 1 569 569 TYR N N 569 118.409 118.409 120.427 -2.018 18909 3647 1 10 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.853 0.047 18909 3648 1 10 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.146 -0.346 18909 3649 1 10 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.816 -0.551 18909 3650 1 10 . 1 1 569 569 TYR H H 569 7.690 7.690 7.579 0.111 18909 3651 1 10 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.333 0.174 18909 3652 1 10 . 1 1 570 570 PRO C C 570 177.728 177.728 178.233 -0.505 18909 3653 1 10 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.407 -0.110 18909 3654 1 10 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.835 0.737 18909 3655 1 10 . 1 1 571 571 VAL N N 571 120.230 120.230 121.047 -0.817 18909 3656 1 10 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.556 -0.089 18909 3657 1 10 . 1 1 571 571 VAL CA C 571 65.214 65.214 65.122 0.092 18909 3658 1 10 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.230 -0.195 18909 3659 1 10 . 1 1 571 571 VAL H H 571 8.601 8.601 8.496 0.105 18909 3660 1 10 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.728 -0.251 18909 3661 1 10 . 1 1 572 572 ASN C C 572 175.194 175.194 175.257 -0.063 18909 3662 1 10 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.876 0.304 18909 3663 1 10 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.135 -1.171 18909 3664 1 10 . 1 1 573 573 THR N N 573 119.345 119.345 118.296 1.049 18909 3665 1 10 . 1 1 573 573 THR HA H 573 4.255 4.255 4.615 -0.360 18909 3666 1 10 . 1 1 573 573 THR CA C 573 62.108 62.108 60.588 1.520 18909 3667 1 10 . 1 1 573 573 THR CB C 573 70.852 70.852 69.229 1.623 18909 3668 1 10 . 1 1 573 573 THR H H 573 7.721 7.721 7.454 0.267 18909 3669 1 10 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.402 -0.116 18909 3670 1 10 . 1 1 574 574 PRO C C 574 176.938 176.938 176.943 -0.005 18909 3671 1 10 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.234 -0.847 18909 3672 1 10 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.174 -0.454 18909 3673 1 10 . 1 1 575 575 GLU N N 575 118.953 118.953 118.127 0.826 18909 3674 1 10 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.453 -0.409 18909 3675 1 10 . 1 1 575 575 GLU C C 575 176.475 176.475 177.196 -0.721 18909 3676 1 10 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.775 1.183 18909 3677 1 10 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.620 -1.300 18909 3678 1 10 . 1 1 575 575 GLU H H 575 9.066 9.066 8.477 0.589 18909 3679 1 10 . 1 1 576 576 ARG N N 576 116.246 116.246 121.272 -5.026 18909 3680 1 10 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.778 -0.825 18909 3681 1 10 . 1 1 576 576 ARG C C 576 177.319 177.319 177.459 -0.140 18909 3682 1 10 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.489 0.473 18909 3683 1 10 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.053 1.054 18909 3684 1 10 . 1 1 576 576 ARG H H 576 7.048 7.048 7.508 -0.460 18909 3685 1 10 . 1 1 577 577 TRP N N 577 114.935 114.935 117.538 -2.603 18909 3686 1 10 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.425 -0.359 18909 3687 1 10 . 1 1 577 577 TRP C C 577 177.782 177.782 178.434 -0.652 18909 3688 1 10 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.660 1.030 18909 3689 1 10 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.689 -0.293 18909 3690 1 10 . 1 1 577 577 TRP H H 577 8.238 8.238 8.028 0.210 18909 3691 1 10 . 1 1 578 578 LYS N N 578 122.682 122.682 117.379 5.303 18909 3692 1 10 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.066 -0.090 18909 3693 1 10 . 1 1 578 578 LYS C C 578 178.872 178.872 178.703 0.169 18909 3694 1 10 . 1 1 578 578 LYS CA C 578 59.791 59.791 58.325 1.466 18909 3695 1 10 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.214 1.500 18909 3696 1 10 . 1 1 578 578 LYS H H 578 7.686 7.686 7.909 -0.223 18909 3697 1 10 . 1 1 579 579 LYS N N 579 118.732 118.732 119.073 -0.341 18909 3698 1 10 . 1 1 579 579 LYS HA H 579 3.601 3.601 3.932 -0.331 18909 3699 1 10 . 1 1 579 579 LYS C C 579 179.362 179.362 178.622 0.740 18909 3700 1 10 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.320 0.273 18909 3701 1 10 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.995 -2.426 18909 3702 1 10 . 1 1 579 579 LYS H H 579 7.375 7.375 7.606 -0.231 18909 3703 1 10 . 1 1 580 580 ILE N N 580 120.281 120.281 119.984 0.297 18909 3704 1 10 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.810 -0.399 18909 3705 1 10 . 1 1 580 580 ILE C C 580 176.747 176.747 177.573 -0.826 18909 3706 1 10 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.651 1.241 18909 3707 1 10 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.688 -0.071 18909 3708 1 10 . 1 1 580 580 ILE H H 580 8.206 8.206 7.821 0.385 18909 3709 1 10 . 1 1 581 581 ALA N N 581 119.004 119.004 122.347 -3.343 18909 3710 1 10 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.222 -0.013 18909 3711 1 10 . 1 1 581 581 ALA C C 581 181.487 181.487 178.531 2.956 18909 3712 1 10 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.171 0.180 18909 3713 1 10 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.396 -1.209 18909 3714 1 10 . 1 1 581 581 ALA H H 581 7.944 7.944 7.830 0.114 18909 3715 1 10 . 1 1 582 582 GLU N N 582 117.557 117.557 117.070 0.487 18909 3716 1 10 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.209 -0.343 18909 3717 1 10 . 1 1 582 582 GLU C C 582 177.659 177.659 177.895 -0.236 18909 3718 1 10 . 1 1 582 582 GLU CA C 582 58.613 58.613 57.979 0.634 18909 3719 1 10 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.347 -0.124 18909 3720 1 10 . 1 1 582 582 GLU H H 582 7.722 7.722 7.634 0.088 18909 3721 1 10 . 1 1 583 583 ALA N N 583 120.247 120.247 120.899 -0.652 18909 3722 1 10 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.355 -0.025 18909 3723 1 10 . 1 1 583 583 ALA C C 583 176.311 176.311 177.666 -1.355 18909 3724 1 10 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.425 -0.892 18909 3725 1 10 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.532 -1.118 18909 3726 1 10 . 1 1 583 583 ALA H H 583 7.486 7.486 7.470 0.016 18909 3727 1 10 . 1 1 584 584 VAL N N 584 120.230 120.230 118.546 1.684 18909 3728 1 10 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.569 -0.147 18909 3729 1 10 . 1 1 584 584 VAL CA C 584 59.330 59.330 59.142 0.188 18909 3730 1 10 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.968 -1.287 18909 3731 1 10 . 1 1 584 584 VAL H H 584 7.486 7.486 7.704 -0.218 18909 3732 1 10 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.598 -0.363 18909 3733 1 10 . 1 1 585 585 PRO C C 585 178.000 178.000 178.383 -0.383 18909 3734 1 10 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.811 1.284 18909 3735 1 10 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.797 -1.131 18909 3736 1 10 . 1 1 586 586 GLY N N 586 111.258 111.258 107.178 4.080 18909 3737 1 10 . 1 1 586 586 GLY C C 586 174.077 174.077 174.128 -0.051 18909 3738 1 10 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.431 -0.213 18909 3739 1 10 . 1 1 586 586 GLY H H 586 8.470 8.470 8.647 -0.177 18909 3740 1 10 . 1 1 587 587 ARG N N 587 118.885 118.885 122.794 -3.909 18909 3741 1 10 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.492 0.396 18909 3742 1 10 . 1 1 587 587 ARG C C 587 175.875 175.875 175.537 0.338 18909 3743 1 10 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.659 -1.332 18909 3744 1 10 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.863 1.496 18909 3745 1 10 . 1 1 587 587 ARG H H 587 7.588 7.588 7.732 -0.144 18909 3746 1 10 . 1 1 588 588 THR N N 588 111.905 111.905 119.354 -7.449 18909 3747 1 10 . 1 1 588 588 THR HA H 588 4.543 4.543 4.468 0.075 18909 3748 1 10 . 1 1 588 588 THR C C 588 176.502 176.502 175.487 1.015 18909 3749 1 10 . 1 1 588 588 THR CA C 588 60.335 60.335 62.485 -2.150 18909 3750 1 10 . 1 1 588 588 THR CB C 588 72.376 72.376 70.225 2.151 18909 3751 1 10 . 1 1 588 588 THR H H 588 8.919 8.919 8.415 0.504 18909 3752 1 10 . 1 1 589 589 LYS N N 589 122.529 122.529 122.790 -0.261 18909 3753 1 10 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.217 -0.281 18909 3754 1 10 . 1 1 589 589 LYS C C 589 177.945 177.945 178.407 -0.462 18909 3755 1 10 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.164 2.017 18909 3756 1 10 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.804 0.393 18909 3757 1 10 . 1 1 589 589 LYS H H 589 9.076 9.076 8.668 0.408 18909 3758 1 10 . 1 1 590 590 LYS N N 590 118.443 118.443 117.214 1.229 18909 3759 1 10 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.947 -0.078 18909 3760 1 10 . 1 1 590 590 LYS C C 590 178.888 178.888 178.129 0.759 18909 3761 1 10 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.371 0.448 18909 3762 1 10 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.644 0.716 18909 3763 1 10 . 1 1 590 590 LYS H H 590 8.199 8.199 8.222 -0.023 18909 3764 1 10 . 1 1 591 591 ASP N N 591 120.281 120.281 121.386 -1.105 18909 3765 1 10 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.681 -0.340 18909 3766 1 10 . 1 1 591 591 ASP C C 591 179.771 179.771 178.789 0.982 18909 3767 1 10 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.796 -0.538 18909 3768 1 10 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.506 1.252 18909 3769 1 10 . 1 1 591 591 ASP H H 591 7.806 7.806 7.840 -0.034 18909 3770 1 10 . 1 1 592 592 CYS N N 592 118.153 118.153 118.932 -0.779 18909 3771 1 10 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.375 -0.059 18909 3772 1 10 . 1 1 592 592 CYS C C 592 175.773 175.773 176.764 -0.991 18909 3773 1 10 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.662 1.277 18909 3774 1 10 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.309 -0.261 18909 3775 1 10 . 1 1 592 592 CYS H H 592 8.551 8.551 7.937 0.614 18909 3776 1 10 . 1 1 593 593 MET N N 593 119.107 119.107 119.672 -0.565 18909 3777 1 10 . 1 1 593 593 MET HA H 593 3.011 3.011 3.638 -0.627 18909 3778 1 10 . 1 1 593 593 MET C C 593 178.256 178.256 178.286 -0.030 18909 3779 1 10 . 1 1 593 593 MET CA C 593 59.546 59.546 59.287 0.259 18909 3780 1 10 . 1 1 593 593 MET CB C 593 33.099 33.099 31.967 1.132 18909 3781 1 10 . 1 1 593 593 MET H H 593 8.226 8.226 8.052 0.174 18909 3782 1 10 . 1 1 594 594 LYS N N 594 120.230 120.230 119.074 1.156 18909 3783 1 10 . 1 1 594 594 LYS HA H 594 3.881 3.881 4.029 -0.148 18909 3784 1 10 . 1 1 594 594 LYS C C 594 178.396 178.396 179.340 -0.944 18909 3785 1 10 . 1 1 594 594 LYS CA C 594 59.355 59.355 58.922 0.433 18909 3786 1 10 . 1 1 594 594 LYS CB C 594 32.520 32.520 31.807 0.713 18909 3787 1 10 . 1 1 594 594 LYS H H 594 7.947 7.947 7.910 0.037 18909 3788 1 10 . 1 1 595 595 ARG N N 595 119.498 119.498 120.395 -0.897 18909 3789 1 10 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.344 -0.481 18909 3790 1 10 . 1 1 595 595 ARG C C 595 177.728 177.728 178.734 -1.006 18909 3791 1 10 . 1 1 595 595 ARG CA C 595 56.958 56.958 57.996 -1.038 18909 3792 1 10 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.352 0.080 18909 3793 1 10 . 1 1 595 595 ARG H H 595 7.964 7.964 8.153 -0.189 18909 3794 1 10 . 1 1 596 596 TYR N N 596 118.375 118.375 120.529 -2.154 18909 3795 1 10 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.216 -0.139 18909 3796 1 10 . 1 1 596 596 TYR C C 596 176.072 176.072 177.207 -1.135 18909 3797 1 10 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.872 0.347 18909 3798 1 10 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.586 0.611 18909 3799 1 10 . 1 1 596 596 TYR H H 596 8.161 8.161 8.195 -0.034 18909 3800 1 10 . 1 1 597 597 LYS N N 597 117.932 117.932 120.062 -2.130 18909 3801 1 10 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.674 -0.091 18909 3802 1 10 . 1 1 597 597 LYS C C 597 178.941 178.941 178.388 0.553 18909 3803 1 10 . 1 1 597 597 LYS CA C 597 59.542 59.542 60.122 -0.580 18909 3804 1 10 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.119 -0.117 18909 3805 1 10 . 1 1 597 597 LYS H H 597 7.709 7.709 7.917 -0.208 18909 3806 1 10 . 1 1 598 598 GLU N N 598 118.153 118.153 119.452 -1.299 18909 3807 1 10 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.955 -0.088 18909 3808 1 10 . 1 1 598 598 GLU C C 598 179.389 179.389 179.159 0.230 18909 3809 1 10 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.369 -0.395 18909 3810 1 10 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.521 -0.116 18909 3811 1 10 . 1 1 598 598 GLU H H 598 7.709 7.709 7.953 -0.244 18909 3812 1 10 . 1 1 599 599 LEU N N 599 121.286 121.286 120.055 1.231 18909 3813 1 10 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.954 0.029 18909 3814 1 10 . 1 1 599 599 LEU C C 599 179.658 179.658 178.877 0.781 18909 3815 1 10 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.978 -0.203 18909 3816 1 10 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.653 -0.303 18909 3817 1 10 . 1 1 599 599 LEU H H 599 8.044 8.044 7.967 0.077 18909 3818 1 10 . 1 1 600 600 VAL N N 600 119.583 119.583 118.360 1.223 18909 3819 1 10 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.603 -0.117 18909 3820 1 10 . 1 1 600 600 VAL C C 600 178.899 178.899 178.221 0.678 18909 3821 1 10 . 1 1 600 600 VAL CA C 600 66.056 66.056 65.931 0.125 18909 3822 1 10 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.062 0.507 18909 3823 1 10 . 1 1 600 600 VAL H H 600 7.998 7.998 7.887 0.111 18909 3824 1 10 . 1 1 601 601 GLU N N 601 119.073 119.073 119.974 -0.901 18909 3825 1 10 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.013 -0.077 18909 3826 1 10 . 1 1 601 601 GLU C C 601 178.931 178.931 179.271 -0.340 18909 3827 1 10 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.458 -0.811 18909 3828 1 10 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.411 -0.374 18909 3829 1 10 . 1 1 601 601 GLU H H 601 7.795 7.795 8.109 -0.314 18909 3830 1 10 . 1 1 602 602 MET N N 602 119.771 119.771 118.241 1.530 18909 3831 1 10 . 1 1 602 602 MET HA H 602 4.153 4.153 4.175 -0.022 18909 3832 1 10 . 1 1 602 602 MET C C 602 178.353 178.353 178.996 -0.643 18909 3833 1 10 . 1 1 602 602 MET CA C 602 58.484 58.484 59.281 -0.797 18909 3834 1 10 . 1 1 602 602 MET CB C 602 32.433 32.433 32.941 -0.508 18909 3835 1 10 . 1 1 602 602 MET H H 602 7.910 7.910 8.157 -0.247 18909 3836 1 10 . 1 1 603 603 VAL N N 603 120.332 120.332 116.528 3.804 18909 3837 1 10 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.689 -0.008 18909 3838 1 10 . 1 1 603 603 VAL C C 603 178.203 178.203 177.592 0.611 18909 3839 1 10 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.412 -0.824 18909 3840 1 10 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.271 0.494 18909 3841 1 10 . 1 1 603 603 VAL H H 603 7.792 7.792 8.078 -0.286 18909 3842 1 10 . 1 1 604 604 LYS N N 604 121.047 121.047 120.066 0.981 18909 3843 1 10 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.136 -0.165 18909 3844 1 10 . 1 1 604 604 LYS CA C 604 58.867 58.867 58.987 -0.120 18909 3845 1 10 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.260 0.483 18909 3846 1 10 . 1 1 604 604 LYS H H 604 7.855 7.855 7.568 0.287 18909 3847 1 10 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.178 -0.011 18909 3848 1 10 . 1 1 605 605 ALA C C 605 179.644 179.644 179.408 0.236 18909 3849 1 10 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.969 -0.898 18909 3850 1 10 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.242 0.144 18909 3851 1 10 . 1 1 606 606 LYS N N 606 120.077 120.077 119.339 0.738 18909 3852 1 10 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.050 0.043 18909 3853 1 10 . 1 1 606 606 LYS C C 606 178.218 178.218 178.486 -0.268 18909 3854 1 10 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.055 -1.062 18909 3855 1 10 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.208 0.125 18909 3856 1 10 . 1 1 606 606 LYS H H 606 7.967 7.967 8.014 -0.047 18909 3857 1 10 . 1 1 607 607 LYS N N 607 120.979 120.979 119.271 1.708 18909 3858 1 10 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.015 0.090 18909 3859 1 10 . 1 1 607 607 LYS C C 607 177.864 177.864 178.631 -0.767 18909 3860 1 10 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.408 -1.415 18909 3861 1 10 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.519 -0.023 18909 3862 1 10 . 1 1 607 607 LYS H H 607 8.013 8.013 7.831 0.182 18909 3863 1 10 . 1 1 608 608 ALA N N 608 122.801 122.801 121.461 1.340 18909 3864 1 10 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.003 0.157 18909 3865 1 10 . 1 1 608 608 ALA C C 608 179.035 179.035 179.104 -0.069 18909 3866 1 10 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.033 -1.289 18909 3867 1 10 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.226 0.214 18909 3868 1 10 . 1 1 608 608 ALA H H 608 8.034 8.034 7.797 0.237 18909 3869 1 10 . 1 1 609 609 ALA N N 609 121.524 121.524 120.208 1.316 18909 3870 1 10 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.953 0.241 18909 3871 1 10 . 1 1 609 609 ALA C C 609 179.062 179.062 179.879 -0.817 18909 3872 1 10 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.982 -1.347 18909 3873 1 10 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.190 0.305 18909 3874 1 10 . 1 1 609 609 ALA H H 609 7.930 7.930 7.988 -0.058 18909 3875 1 10 . 1 1 610 610 GLN N N 610 118.289 118.289 118.600 -0.311 18909 3876 1 10 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.038 0.111 18909 3877 1 10 . 1 1 610 610 GLN C C 610 177.230 177.230 178.004 -0.774 18909 3878 1 10 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.695 -1.655 18909 3879 1 10 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.506 0.422 18909 3880 1 10 . 1 1 610 610 GLN H H 610 7.996 7.996 7.982 0.014 18909 3881 1 10 . 1 1 611 611 GLU N N 611 120.690 120.690 119.277 1.413 18909 3882 1 10 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.010 0.088 18909 3883 1 10 . 1 1 611 611 GLU C C 611 177.237 177.237 179.195 -1.958 18909 3884 1 10 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.020 -1.244 18909 3885 1 10 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.507 0.347 18909 3886 1 10 . 1 1 611 611 GLU H H 611 8.156 8.156 7.923 0.233 18909 3887 1 10 . 1 1 612 612 GLN N N 612 119.771 119.771 118.852 0.919 18909 3888 1 10 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.094 0.092 18909 3889 1 10 . 1 1 612 612 GLN C C 612 176.949 176.949 178.805 -1.856 18909 3890 1 10 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.854 -1.909 18909 3891 1 10 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.976 -0.089 18909 3892 1 10 . 1 1 612 612 GLN H H 612 8.041 8.041 8.218 -0.177 18909 3893 1 10 . 1 1 613 613 VAL N N 613 120.724 120.724 120.409 0.315 18909 3894 1 10 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.684 0.217 18909 3895 1 10 . 1 1 613 613 VAL C C 613 177.118 177.118 178.187 -1.069 18909 3896 1 10 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.076 -2.362 18909 3897 1 10 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.642 0.509 18909 3898 1 10 . 1 1 613 613 VAL H H 613 7.857 7.857 7.518 0.339 18909 3899 1 10 . 1 1 614 614 LEU N N 614 124.095 124.095 119.682 4.413 18909 3900 1 10 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.008 0.193 18909 3901 1 10 . 1 1 614 614 LEU C C 614 177.918 177.918 178.880 -0.962 18909 3902 1 10 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.469 -1.437 18909 3903 1 10 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.085 1.000 18909 3904 1 10 . 1 1 614 614 LEU H H 614 8.105 8.105 8.192 -0.087 18909 3905 1 10 . 1 1 615 615 ASN N N 615 118.783 118.783 118.168 0.615 18909 3906 1 10 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.465 0.083 18909 3907 1 10 . 1 1 615 615 ASN C C 615 175.745 175.745 177.314 -1.569 18909 3908 1 10 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.299 -2.174 18909 3909 1 10 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.644 -0.056 18909 3910 1 10 . 1 1 615 615 ASN H H 615 8.282 8.282 8.071 0.211 18909 3911 1 10 . 1 1 616 616 ALA N N 616 123.857 123.857 121.493 2.364 18909 3912 1 10 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.157 0.066 18909 3913 1 10 . 1 1 616 616 ALA C C 616 178.327 178.327 178.832 -0.505 18909 3914 1 10 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.472 -1.192 18909 3915 1 10 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.392 0.484 18909 3916 1 10 . 1 1 616 616 ALA H H 616 8.098 8.098 7.787 0.311 18909 3917 1 10 . 1 1 617 617 SER N N 617 114.101 114.101 112.259 1.842 18909 3918 1 10 . 1 1 617 617 SER HA H 617 4.337 4.337 4.259 0.078 18909 3919 1 10 . 1 1 617 617 SER C C 617 178.463 178.463 176.249 2.214 18909 3920 1 10 . 1 1 617 617 SER CA C 617 58.865 58.865 60.593 -1.728 18909 3921 1 10 . 1 1 617 617 SER CB C 617 63.659 63.659 63.379 0.280 18909 3922 1 10 . 1 1 617 617 SER H H 617 8.098 8.098 7.808 0.290 18909 3923 1 10 . 1 1 618 618 ARG N N 618 122.410 122.410 119.355 3.055 18909 3924 1 10 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.297 -0.030 18909 3925 1 10 . 1 1 618 618 ARG C C 618 175.902 175.902 176.184 -0.282 18909 3926 1 10 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.329 -0.134 18909 3927 1 10 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.737 -0.133 18909 3928 1 10 . 1 1 618 618 ARG H H 618 8.012 8.012 7.360 0.652 18909 3929 1 10 . 1 1 619 619 ALA N N 619 124.555 124.555 121.778 2.777 18909 3930 1 10 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.326 -0.098 18909 3931 1 10 . 1 1 619 619 ALA C C 619 177.455 177.455 177.570 -0.115 18909 3932 1 10 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.801 -0.310 18909 3933 1 10 . 1 1 619 619 ALA CB C 619 19.203 19.203 17.864 1.339 18909 3934 1 10 . 1 1 619 619 ALA H H 619 8.039 8.039 7.566 0.473 18909 3935 1 10 . 1 1 620 620 LYS N N 620 121.286 121.286 121.592 -0.306 18909 3936 1 10 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.366 -0.133 18909 3937 1 10 . 1 1 620 620 LYS C C 620 175.548 175.548 176.869 -1.321 18909 3938 1 10 . 1 1 620 620 LYS CA C 620 56.304 56.304 56.732 -0.428 18909 3939 1 10 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.475 -0.501 18909 3940 1 10 . 1 1 620 620 LYS H H 620 8.139 8.139 8.273 -0.134 18909 3941 1 11 . 1 1 552 552 THR N N 552 120.945 120.945 115.762 5.183 18909 3942 1 11 . 1 1 552 552 THR HA H 552 4.505 4.505 4.503 0.002 18909 3943 1 11 . 1 1 552 552 THR CA C 552 59.439 59.439 58.806 0.633 18909 3944 1 11 . 1 1 552 552 THR CB C 552 69.599 69.599 68.953 0.646 18909 3945 1 11 . 1 1 552 552 THR H H 552 8.265 8.265 8.684 -0.419 18909 3946 1 11 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.525 -0.040 18909 3947 1 11 . 1 1 553 553 PRO C C 553 176.938 176.938 176.419 0.519 18909 3948 1 11 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.580 0.534 18909 3949 1 11 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.451 -0.267 18909 3950 1 11 . 1 1 554 554 TRP N N 554 124.095 124.095 124.870 -0.775 18909 3951 1 11 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.544 -0.203 18909 3952 1 11 . 1 1 554 554 TRP C C 554 178.191 178.191 176.708 1.483 18909 3953 1 11 . 1 1 554 554 TRP CA C 554 58.484 58.484 56.869 1.615 18909 3954 1 11 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.928 -0.572 18909 3955 1 11 . 1 1 554 554 TRP H H 554 8.989 8.989 8.409 0.580 18909 3956 1 11 . 1 1 555 555 THR N N 555 115.804 115.804 117.435 -1.631 18909 3957 1 11 . 1 1 555 555 THR HA H 555 4.653 4.653 4.556 0.097 18909 3958 1 11 . 1 1 555 555 THR C C 555 176.011 176.011 175.783 0.228 18909 3959 1 11 . 1 1 555 555 THR CA C 555 60.145 60.145 61.294 -1.149 18909 3960 1 11 . 1 1 555 555 THR CB C 555 71.749 71.749 70.297 1.452 18909 3961 1 11 . 1 1 555 555 THR H H 555 8.800 8.800 8.055 0.745 18909 3962 1 11 . 1 1 556 556 THR N N 556 116.791 116.791 117.686 -0.895 18909 3963 1 11 . 1 1 556 556 THR HA H 556 3.934 3.934 3.952 -0.018 18909 3964 1 11 . 1 1 556 556 THR C C 556 176.992 176.992 176.594 0.398 18909 3965 1 11 . 1 1 556 556 THR CA C 556 66.329 66.329 66.383 -0.054 18909 3966 1 11 . 1 1 556 556 THR CB C 556 68.616 68.616 68.737 -0.121 18909 3967 1 11 . 1 1 556 556 THR H H 556 8.866 8.866 8.600 0.266 18909 3968 1 11 . 1 1 557 557 GLU N N 557 121.303 121.303 121.138 0.165 18909 3969 1 11 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.173 -0.167 18909 3970 1 11 . 1 1 557 557 GLU C C 557 179.310 179.310 178.793 0.517 18909 3971 1 11 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.446 0.780 18909 3972 1 11 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.654 0.501 18909 3973 1 11 . 1 1 557 557 GLU H H 557 8.538 8.538 8.779 -0.241 18909 3974 1 11 . 1 1 558 558 GLU N N 558 119.737 119.737 119.670 0.067 18909 3975 1 11 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.227 -0.312 18909 3976 1 11 . 1 1 558 558 GLU C C 558 178.844 178.844 179.129 -0.285 18909 3977 1 11 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.260 0.749 18909 3978 1 11 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.111 2.323 18909 3979 1 11 . 1 1 558 558 GLU H H 558 7.831 7.831 7.970 -0.139 18909 3980 1 11 . 1 1 559 559 GLN N N 559 119.328 119.328 119.353 -0.025 18909 3981 1 11 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.200 -0.083 18909 3982 1 11 . 1 1 559 559 GLN C C 559 178.155 178.155 178.052 0.103 18909 3983 1 11 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.761 0.594 18909 3984 1 11 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.960 -0.975 18909 3985 1 11 . 1 1 559 559 GLN H H 559 8.608 8.608 8.471 0.137 18909 3986 1 11 . 1 1 560 560 LYS N N 560 119.311 119.311 118.929 0.382 18909 3987 1 11 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.254 -0.149 18909 3988 1 11 . 1 1 560 560 LYS C C 560 179.880 179.880 179.104 0.776 18909 3989 1 11 . 1 1 560 560 LYS CA C 560 59.737 59.737 58.895 0.842 18909 3990 1 11 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.929 0.132 18909 3991 1 11 . 1 1 560 560 LYS H H 560 8.000 8.000 7.768 0.232 18909 3992 1 11 . 1 1 561 561 LEU N N 561 120.026 120.026 120.394 -0.368 18909 3993 1 11 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.108 0.018 18909 3994 1 11 . 1 1 561 561 LEU C C 561 180.452 180.452 179.244 1.208 18909 3995 1 11 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.388 0.932 18909 3996 1 11 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.672 0.141 18909 3997 1 11 . 1 1 561 561 LEU H H 561 7.814 7.814 7.734 0.080 18909 3998 1 11 . 1 1 562 562 LEU N N 562 122.427 122.427 121.225 1.202 18909 3999 1 11 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.090 -0.094 18909 4000 1 11 . 1 1 562 562 LEU C C 562 177.428 177.428 178.167 -0.739 18909 4001 1 11 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.282 0.147 18909 4002 1 11 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.609 0.258 18909 4003 1 11 . 1 1 562 562 LEU H H 562 8.374 8.374 7.987 0.387 18909 4004 1 11 . 1 1 563 563 GLU N N 563 117.574 117.574 117.690 -0.116 18909 4005 1 11 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.846 -0.007 18909 4006 1 11 . 1 1 563 563 GLU C C 563 179.907 179.907 178.895 1.012 18909 4007 1 11 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.234 0.911 18909 4008 1 11 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.214 0.191 18909 4009 1 11 . 1 1 563 563 GLU H H 563 8.541 8.541 7.735 0.806 18909 4010 1 11 . 1 1 564 564 GLN N N 564 117.659 117.659 120.032 -2.373 18909 4011 1 11 . 1 1 564 564 GLN HA H 564 4.003 4.003 3.919 0.084 18909 4012 1 11 . 1 1 564 564 GLN C C 564 178.490 178.490 177.253 1.237 18909 4013 1 11 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.650 -0.275 18909 4014 1 11 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.168 0.339 18909 4015 1 11 . 1 1 564 564 GLN H H 564 8.098 8.098 8.072 0.026 18909 4016 1 11 . 1 1 565 565 ALA N N 565 125.117 125.117 120.221 4.896 18909 4017 1 11 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.916 0.177 18909 4018 1 11 . 1 1 565 565 ALA C C 565 178.681 178.681 180.022 -1.341 18909 4019 1 11 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.333 0.991 18909 4020 1 11 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.383 0.929 18909 4021 1 11 . 1 1 565 565 ALA H H 565 8.270 8.270 7.561 0.709 18909 4022 1 11 . 1 1 566 566 LEU N N 566 117.217 117.217 119.530 -2.313 18909 4023 1 11 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.745 -0.164 18909 4024 1 11 . 1 1 566 566 LEU C C 566 178.409 178.409 179.082 -0.673 18909 4025 1 11 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.429 0.128 18909 4026 1 11 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.700 0.344 18909 4027 1 11 . 1 1 566 566 LEU H H 566 8.170 8.170 8.282 -0.112 18909 4028 1 11 . 1 1 567 567 LYS N N 567 115.429 115.429 117.949 -2.520 18909 4029 1 11 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.109 -0.181 18909 4030 1 11 . 1 1 567 567 LYS C C 567 177.809 177.809 178.038 -0.229 18909 4031 1 11 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.591 -0.925 18909 4032 1 11 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.536 0.178 18909 4033 1 11 . 1 1 567 567 LYS H H 567 6.960 6.960 7.641 -0.681 18909 4034 1 11 . 1 1 568 568 THR N N 568 117.847 117.847 113.935 3.912 18909 4035 1 11 . 1 1 568 568 THR HA H 568 3.468 3.468 4.051 -0.583 18909 4036 1 11 . 1 1 568 568 THR C C 568 173.447 173.447 174.931 -1.484 18909 4037 1 11 . 1 1 568 568 THR CA C 568 65.620 65.620 64.512 1.108 18909 4038 1 11 . 1 1 568 568 THR CB C 568 69.080 69.080 69.317 -0.237 18909 4039 1 11 . 1 1 568 568 THR H H 568 8.024 8.024 7.319 0.705 18909 4040 1 11 . 1 1 569 569 TYR N N 569 118.409 118.409 121.845 -3.436 18909 4041 1 11 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.771 0.129 18909 4042 1 11 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.578 -0.778 18909 4043 1 11 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.335 -0.070 18909 4044 1 11 . 1 1 569 569 TYR H H 569 7.690 7.690 7.448 0.242 18909 4045 1 11 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.371 0.136 18909 4046 1 11 . 1 1 570 570 PRO C C 570 177.728 177.728 177.993 -0.265 18909 4047 1 11 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.260 0.037 18909 4048 1 11 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.457 1.115 18909 4049 1 11 . 1 1 571 571 VAL N N 571 120.230 120.230 121.161 -0.931 18909 4050 1 11 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.556 -0.089 18909 4051 1 11 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.305 0.909 18909 4052 1 11 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.170 -0.135 18909 4053 1 11 . 1 1 571 571 VAL H H 571 8.601 8.601 8.470 0.131 18909 4054 1 11 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.599 -0.122 18909 4055 1 11 . 1 1 572 572 ASN C C 572 175.194 175.194 175.576 -0.382 18909 4056 1 11 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.535 -0.355 18909 4057 1 11 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.265 -1.301 18909 4058 1 11 . 1 1 573 573 THR N N 573 119.345 119.345 117.751 1.594 18909 4059 1 11 . 1 1 573 573 THR HA H 573 4.255 4.255 4.518 -0.263 18909 4060 1 11 . 1 1 573 573 THR CA C 573 62.108 62.108 60.440 1.668 18909 4061 1 11 . 1 1 573 573 THR CB C 573 70.852 70.852 69.186 1.666 18909 4062 1 11 . 1 1 573 573 THR H H 573 7.721 7.721 7.401 0.320 18909 4063 1 11 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.363 -0.077 18909 4064 1 11 . 1 1 574 574 PRO C C 574 176.938 176.938 176.763 0.175 18909 4065 1 11 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.352 -0.965 18909 4066 1 11 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.034 -0.314 18909 4067 1 11 . 1 1 575 575 GLU N N 575 118.953 118.953 116.751 2.202 18909 4068 1 11 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.511 -0.467 18909 4069 1 11 . 1 1 575 575 GLU C C 575 176.475 176.475 176.682 -0.207 18909 4070 1 11 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.244 1.714 18909 4071 1 11 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.595 -1.274 18909 4072 1 11 . 1 1 575 575 GLU H H 575 9.066 9.066 8.497 0.569 18909 4073 1 11 . 1 1 576 576 ARG N N 576 116.246 116.246 121.760 -5.514 18909 4074 1 11 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.765 -0.812 18909 4075 1 11 . 1 1 576 576 ARG C C 576 177.319 177.319 177.168 0.151 18909 4076 1 11 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.741 0.221 18909 4077 1 11 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.194 0.913 18909 4078 1 11 . 1 1 576 576 ARG H H 576 7.048 7.048 7.458 -0.410 18909 4079 1 11 . 1 1 577 577 TRP N N 577 114.935 114.935 116.701 -1.766 18909 4080 1 11 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.466 -0.401 18909 4081 1 11 . 1 1 577 577 TRP C C 577 177.782 177.782 177.808 -0.026 18909 4082 1 11 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.299 1.391 18909 4083 1 11 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.901 -0.505 18909 4084 1 11 . 1 1 577 577 TRP H H 577 8.238 8.238 8.019 0.219 18909 4085 1 11 . 1 1 578 578 LYS N N 578 122.682 122.682 119.065 3.617 18909 4086 1 11 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.125 -0.149 18909 4087 1 11 . 1 1 578 578 LYS C C 578 178.872 178.872 178.685 0.187 18909 4088 1 11 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.184 0.607 18909 4089 1 11 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.482 1.232 18909 4090 1 11 . 1 1 578 578 LYS H H 578 7.686 7.686 8.109 -0.423 18909 4091 1 11 . 1 1 579 579 LYS N N 579 118.732 118.732 120.143 -1.411 18909 4092 1 11 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.258 -0.657 18909 4093 1 11 . 1 1 579 579 LYS C C 579 179.362 179.362 178.883 0.479 18909 4094 1 11 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.558 0.035 18909 4095 1 11 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.902 -2.333 18909 4096 1 11 . 1 1 579 579 LYS H H 579 7.375 7.375 7.558 -0.183 18909 4097 1 11 . 1 1 580 580 ILE N N 580 120.281 120.281 119.918 0.363 18909 4098 1 11 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.928 -0.517 18909 4099 1 11 . 1 1 580 580 ILE C C 580 176.747 176.747 177.676 -0.929 18909 4100 1 11 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.840 1.052 18909 4101 1 11 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.886 -0.269 18909 4102 1 11 . 1 1 580 580 ILE H H 580 8.206 8.206 7.999 0.207 18909 4103 1 11 . 1 1 581 581 ALA N N 581 119.004 119.004 122.242 -3.238 18909 4104 1 11 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.101 0.108 18909 4105 1 11 . 1 1 581 581 ALA C C 581 181.487 181.487 178.746 2.741 18909 4106 1 11 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.057 0.294 18909 4107 1 11 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.368 -1.181 18909 4108 1 11 . 1 1 581 581 ALA H H 581 7.944 7.944 7.810 0.134 18909 4109 1 11 . 1 1 582 582 GLU N N 582 117.557 117.557 117.760 -0.203 18909 4110 1 11 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.155 -0.289 18909 4111 1 11 . 1 1 582 582 GLU C C 582 177.659 177.659 178.743 -1.084 18909 4112 1 11 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.238 0.375 18909 4113 1 11 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.817 -0.594 18909 4114 1 11 . 1 1 582 582 GLU H H 582 7.722 7.722 7.768 -0.046 18909 4115 1 11 . 1 1 583 583 ALA N N 583 120.247 120.247 120.419 -0.172 18909 4116 1 11 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.300 0.030 18909 4117 1 11 . 1 1 583 583 ALA C C 583 176.311 176.311 177.610 -1.299 18909 4118 1 11 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.720 -1.187 18909 4119 1 11 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.044 -0.630 18909 4120 1 11 . 1 1 583 583 ALA H H 583 7.486 7.486 7.776 -0.290 18909 4121 1 11 . 1 1 584 584 VAL N N 584 120.230 120.230 118.820 1.410 18909 4122 1 11 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.611 -0.189 18909 4123 1 11 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.341 0.989 18909 4124 1 11 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.304 -1.623 18909 4125 1 11 . 1 1 584 584 VAL H H 584 7.486 7.486 7.613 -0.127 18909 4126 1 11 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.611 -0.376 18909 4127 1 11 . 1 1 585 585 PRO C C 585 178.000 178.000 177.860 0.140 18909 4128 1 11 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.440 1.655 18909 4129 1 11 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.762 -1.096 18909 4130 1 11 . 1 1 586 586 GLY N N 586 111.258 111.258 110.040 1.218 18909 4131 1 11 . 1 1 586 586 GLY C C 586 174.077 174.077 174.295 -0.218 18909 4132 1 11 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.086 0.132 18909 4133 1 11 . 1 1 586 586 GLY H H 586 8.470 8.470 8.627 -0.157 18909 4134 1 11 . 1 1 587 587 ARG N N 587 118.885 118.885 121.688 -2.803 18909 4135 1 11 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.382 0.506 18909 4136 1 11 . 1 1 587 587 ARG C C 587 175.875 175.875 176.257 -0.382 18909 4137 1 11 . 1 1 587 587 ARG CA C 587 52.327 52.327 54.144 -1.817 18909 4138 1 11 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.601 1.759 18909 4139 1 11 . 1 1 587 587 ARG H H 587 7.588 7.588 7.639 -0.051 18909 4140 1 11 . 1 1 588 588 THR N N 588 111.905 111.905 114.215 -2.310 18909 4141 1 11 . 1 1 588 588 THR HA H 588 4.543 4.543 4.554 -0.011 18909 4142 1 11 . 1 1 588 588 THR C C 588 176.502 176.502 175.580 0.922 18909 4143 1 11 . 1 1 588 588 THR CA C 588 60.335 60.335 60.566 -0.231 18909 4144 1 11 . 1 1 588 588 THR CB C 588 72.376 72.376 70.534 1.842 18909 4145 1 11 . 1 1 588 588 THR H H 588 8.919 8.919 8.201 0.718 18909 4146 1 11 . 1 1 589 589 LYS N N 589 122.529 122.529 121.707 0.822 18909 4147 1 11 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.139 -0.203 18909 4148 1 11 . 1 1 589 589 LYS C C 589 177.945 177.945 178.557 -0.612 18909 4149 1 11 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.298 1.883 18909 4150 1 11 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.779 0.418 18909 4151 1 11 . 1 1 589 589 LYS H H 589 9.076 9.076 8.710 0.366 18909 4152 1 11 . 1 1 590 590 LYS N N 590 118.443 118.443 116.781 1.662 18909 4153 1 11 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.980 -0.111 18909 4154 1 11 . 1 1 590 590 LYS C C 590 178.888 178.888 177.991 0.897 18909 4155 1 11 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.076 0.743 18909 4156 1 11 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.872 0.488 18909 4157 1 11 . 1 1 590 590 LYS H H 590 8.199 8.199 8.233 -0.034 18909 4158 1 11 . 1 1 591 591 ASP N N 591 120.281 120.281 121.457 -1.176 18909 4159 1 11 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.702 -0.361 18909 4160 1 11 . 1 1 591 591 ASP C C 591 179.771 179.771 178.708 1.063 18909 4161 1 11 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.466 -0.208 18909 4162 1 11 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.953 0.805 18909 4163 1 11 . 1 1 591 591 ASP H H 591 7.806 7.806 8.064 -0.258 18909 4164 1 11 . 1 1 592 592 CYS N N 592 118.153 118.153 119.528 -1.375 18909 4165 1 11 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.435 -0.119 18909 4166 1 11 . 1 1 592 592 CYS C C 592 175.773 175.773 176.799 -1.026 18909 4167 1 11 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.451 1.488 18909 4168 1 11 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.366 -0.318 18909 4169 1 11 . 1 1 592 592 CYS H H 592 8.551 8.551 7.869 0.682 18909 4170 1 11 . 1 1 593 593 MET N N 593 119.107 119.107 119.074 0.033 18909 4171 1 11 . 1 1 593 593 MET HA H 593 3.011 3.011 3.511 -0.500 18909 4172 1 11 . 1 1 593 593 MET C C 593 178.256 178.256 178.025 0.231 18909 4173 1 11 . 1 1 593 593 MET CA C 593 59.546 59.546 59.183 0.363 18909 4174 1 11 . 1 1 593 593 MET CB C 593 33.099 33.099 31.932 1.167 18909 4175 1 11 . 1 1 593 593 MET H H 593 8.226 8.226 8.086 0.140 18909 4176 1 11 . 1 1 594 594 LYS N N 594 120.230 120.230 119.699 0.531 18909 4177 1 11 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.874 0.007 18909 4178 1 11 . 1 1 594 594 LYS C C 594 178.396 178.396 178.723 -0.327 18909 4179 1 11 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.920 -0.565 18909 4180 1 11 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.347 0.173 18909 4181 1 11 . 1 1 594 594 LYS H H 594 7.947 7.947 7.973 -0.026 18909 4182 1 11 . 1 1 595 595 ARG N N 595 119.498 119.498 118.938 0.560 18909 4183 1 11 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.002 -0.139 18909 4184 1 11 . 1 1 595 595 ARG C C 595 177.728 177.728 178.418 -0.690 18909 4185 1 11 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.769 -1.811 18909 4186 1 11 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.575 -0.142 18909 4187 1 11 . 1 1 595 595 ARG H H 595 7.964 7.964 7.901 0.063 18909 4188 1 11 . 1 1 596 596 TYR N N 596 118.375 118.375 120.510 -2.135 18909 4189 1 11 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.196 -0.119 18909 4190 1 11 . 1 1 596 596 TYR C C 596 176.072 176.072 177.242 -1.170 18909 4191 1 11 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.841 0.378 18909 4192 1 11 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.517 0.680 18909 4193 1 11 . 1 1 596 596 TYR H H 596 8.161 8.161 7.798 0.363 18909 4194 1 11 . 1 1 597 597 LYS N N 597 117.932 117.932 119.415 -1.483 18909 4195 1 11 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.715 -0.132 18909 4196 1 11 . 1 1 597 597 LYS C C 597 178.941 178.941 178.692 0.249 18909 4197 1 11 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.865 -0.323 18909 4198 1 11 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.136 -0.134 18909 4199 1 11 . 1 1 597 597 LYS H H 597 7.709 7.709 8.134 -0.425 18909 4200 1 11 . 1 1 598 598 GLU N N 598 118.153 118.153 118.845 -0.692 18909 4201 1 11 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.045 -0.178 18909 4202 1 11 . 1 1 598 598 GLU C C 598 179.389 179.389 179.161 0.228 18909 4203 1 11 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.784 0.190 18909 4204 1 11 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.155 0.250 18909 4205 1 11 . 1 1 598 598 GLU H H 598 7.709 7.709 7.747 -0.038 18909 4206 1 11 . 1 1 599 599 LEU N N 599 121.286 121.286 119.899 1.387 18909 4207 1 11 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.893 0.090 18909 4208 1 11 . 1 1 599 599 LEU C C 599 179.658 179.658 179.188 0.470 18909 4209 1 11 . 1 1 599 599 LEU CA C 599 57.775 57.775 58.001 -0.226 18909 4210 1 11 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.588 -0.238 18909 4211 1 11 . 1 1 599 599 LEU H H 599 8.044 8.044 7.656 0.388 18909 4212 1 11 . 1 1 600 600 VAL N N 600 119.583 119.583 118.187 1.396 18909 4213 1 11 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.406 0.080 18909 4214 1 11 . 1 1 600 600 VAL C C 600 178.899 178.899 178.084 0.815 18909 4215 1 11 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.628 -0.572 18909 4216 1 11 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.323 0.247 18909 4217 1 11 . 1 1 600 600 VAL H H 600 7.998 7.998 7.423 0.575 18909 4218 1 11 . 1 1 601 601 GLU N N 601 119.073 119.073 119.120 -0.047 18909 4219 1 11 . 1 1 601 601 GLU HA H 601 3.935 3.935 3.948 -0.013 18909 4220 1 11 . 1 1 601 601 GLU C C 601 178.931 178.931 179.425 -0.494 18909 4221 1 11 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.304 -0.657 18909 4222 1 11 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.415 -0.378 18909 4223 1 11 . 1 1 601 601 GLU H H 601 7.795 7.795 7.594 0.201 18909 4224 1 11 . 1 1 602 602 MET N N 602 119.771 119.771 118.382 1.389 18909 4225 1 11 . 1 1 602 602 MET HA H 602 4.153 4.153 4.190 -0.037 18909 4226 1 11 . 1 1 602 602 MET C C 602 178.353 178.353 178.590 -0.237 18909 4227 1 11 . 1 1 602 602 MET CA C 602 58.484 58.484 59.546 -1.062 18909 4228 1 11 . 1 1 602 602 MET CB C 602 32.433 32.433 33.086 -0.653 18909 4229 1 11 . 1 1 602 602 MET H H 602 7.910 7.910 8.166 -0.256 18909 4230 1 11 . 1 1 603 603 VAL N N 603 120.332 120.332 116.098 4.234 18909 4231 1 11 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.764 -0.083 18909 4232 1 11 . 1 1 603 603 VAL C C 603 178.203 178.203 177.692 0.511 18909 4233 1 11 . 1 1 603 603 VAL CA C 603 65.588 65.588 65.866 -0.278 18909 4234 1 11 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.237 0.528 18909 4235 1 11 . 1 1 603 603 VAL H H 603 7.792 7.792 7.890 -0.098 18909 4236 1 11 . 1 1 604 604 LYS N N 604 121.047 121.047 119.985 1.062 18909 4237 1 11 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.099 -0.128 18909 4238 1 11 . 1 1 604 604 LYS CA C 604 58.867 58.867 58.133 0.734 18909 4239 1 11 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.409 1.334 18909 4240 1 11 . 1 1 604 604 LYS H H 604 7.855 7.855 8.192 -0.337 18909 4241 1 11 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.062 0.105 18909 4242 1 11 . 1 1 605 605 ALA C C 605 179.644 179.644 179.766 -0.122 18909 4243 1 11 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.130 -1.059 18909 4244 1 11 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.304 0.082 18909 4245 1 11 . 1 1 606 606 LYS N N 606 120.077 120.077 118.422 1.655 18909 4246 1 11 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.993 0.099 18909 4247 1 11 . 1 1 606 606 LYS C C 606 178.218 178.218 178.851 -0.633 18909 4248 1 11 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.404 -1.411 18909 4249 1 11 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.439 -0.106 18909 4250 1 11 . 1 1 606 606 LYS H H 606 7.967 7.967 8.000 -0.033 18909 4251 1 11 . 1 1 607 607 LYS N N 607 120.979 120.979 119.603 1.376 18909 4252 1 11 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.251 -0.146 18909 4253 1 11 . 1 1 607 607 LYS C C 607 177.864 177.864 178.570 -0.706 18909 4254 1 11 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.297 -0.304 18909 4255 1 11 . 1 1 607 607 LYS CB C 607 32.496 32.496 31.943 0.553 18909 4256 1 11 . 1 1 607 607 LYS H H 607 8.013 8.013 7.623 0.390 18909 4257 1 11 . 1 1 608 608 ALA N N 608 122.801 122.801 121.271 1.530 18909 4258 1 11 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.016 0.144 18909 4259 1 11 . 1 1 608 608 ALA C C 608 179.035 179.035 178.994 0.041 18909 4260 1 11 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.331 -1.587 18909 4261 1 11 . 1 1 608 608 ALA CB C 608 18.440 18.440 17.837 0.603 18909 4262 1 11 . 1 1 608 608 ALA H H 608 8.034 8.034 7.659 0.375 18909 4263 1 11 . 1 1 609 609 ALA N N 609 121.524 121.524 120.893 0.631 18909 4264 1 11 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.002 0.192 18909 4265 1 11 . 1 1 609 609 ALA C C 609 179.062 179.062 180.145 -1.083 18909 4266 1 11 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.993 -1.358 18909 4267 1 11 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.036 0.459 18909 4268 1 11 . 1 1 609 609 ALA H H 609 7.930 7.930 7.742 0.188 18909 4269 1 11 . 1 1 610 610 GLN N N 610 118.289 118.289 117.784 0.505 18909 4270 1 11 . 1 1 610 610 GLN HA H 610 4.149 4.149 3.939 0.210 18909 4271 1 11 . 1 1 610 610 GLN C C 610 177.230 177.230 178.453 -1.223 18909 4272 1 11 . 1 1 610 610 GLN CA C 610 57.040 57.040 59.168 -2.128 18909 4273 1 11 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.677 0.251 18909 4274 1 11 . 1 1 610 610 GLN H H 610 7.996 7.996 8.215 -0.219 18909 4275 1 11 . 1 1 611 611 GLU N N 611 120.690 120.690 119.863 0.827 18909 4276 1 11 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.058 0.040 18909 4277 1 11 . 1 1 611 611 GLU C C 611 177.237 177.237 179.163 -1.926 18909 4278 1 11 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.185 -1.410 18909 4279 1 11 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.508 0.346 18909 4280 1 11 . 1 1 611 611 GLU H H 611 8.156 8.156 8.008 0.148 18909 4281 1 11 . 1 1 612 612 GLN N N 612 119.771 119.771 118.410 1.361 18909 4282 1 11 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.117 0.069 18909 4283 1 11 . 1 1 612 612 GLN C C 612 176.949 176.949 178.937 -1.988 18909 4284 1 11 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.393 -1.448 18909 4285 1 11 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.549 0.338 18909 4286 1 11 . 1 1 612 612 GLN H H 612 8.041 8.041 7.939 0.102 18909 4287 1 11 . 1 1 613 613 VAL N N 613 120.724 120.724 120.775 -0.051 18909 4288 1 11 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.668 0.233 18909 4289 1 11 . 1 1 613 613 VAL C C 613 177.118 177.118 178.006 -0.888 18909 4290 1 11 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.489 -2.775 18909 4291 1 11 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.388 0.763 18909 4292 1 11 . 1 1 613 613 VAL H H 613 7.857 7.857 8.035 -0.178 18909 4293 1 11 . 1 1 614 614 LEU N N 614 124.095 124.095 120.092 4.003 18909 4294 1 11 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.041 0.160 18909 4295 1 11 . 1 1 614 614 LEU C C 614 177.918 177.918 178.774 -0.856 18909 4296 1 11 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.614 -1.582 18909 4297 1 11 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.763 0.322 18909 4298 1 11 . 1 1 614 614 LEU H H 614 8.105 8.105 7.926 0.179 18909 4299 1 11 . 1 1 615 615 ASN N N 615 118.783 118.783 117.094 1.689 18909 4300 1 11 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.416 0.132 18909 4301 1 11 . 1 1 615 615 ASN C C 615 175.745 175.745 176.495 -0.750 18909 4302 1 11 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.162 -2.037 18909 4303 1 11 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.655 -0.068 18909 4304 1 11 . 1 1 615 615 ASN H H 615 8.282 8.282 8.194 0.088 18909 4305 1 11 . 1 1 616 616 ALA N N 616 123.857 123.857 119.363 4.494 18909 4306 1 11 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.432 -0.209 18909 4307 1 11 . 1 1 616 616 ALA C C 616 178.327 178.327 179.860 -1.533 18909 4308 1 11 . 1 1 616 616 ALA CA C 616 53.280 53.280 53.885 -0.605 18909 4309 1 11 . 1 1 616 616 ALA CB C 616 18.876 18.876 19.146 -0.270 18909 4310 1 11 . 1 1 616 616 ALA H H 616 8.098 8.098 7.420 0.678 18909 4311 1 11 . 1 1 617 617 SER N N 617 114.101 114.101 116.207 -2.106 18909 4312 1 11 . 1 1 617 617 SER HA H 617 4.337 4.337 4.302 0.035 18909 4313 1 11 . 1 1 617 617 SER C C 617 178.463 178.463 176.078 2.385 18909 4314 1 11 . 1 1 617 617 SER CA C 617 58.865 58.865 60.897 -2.032 18909 4315 1 11 . 1 1 617 617 SER CB C 617 63.659 63.659 63.614 0.045 18909 4316 1 11 . 1 1 617 617 SER H H 617 8.098 8.098 8.291 -0.193 18909 4317 1 11 . 1 1 618 618 ARG N N 618 122.410 122.410 119.634 2.776 18909 4318 1 11 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.555 -0.288 18909 4319 1 11 . 1 1 618 618 ARG C C 618 175.902 175.902 175.065 0.837 18909 4320 1 11 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.302 0.893 18909 4321 1 11 . 1 1 618 618 ARG CB C 618 30.604 30.604 29.890 0.714 18909 4322 1 11 . 1 1 618 618 ARG H H 618 8.012 8.012 8.018 -0.006 18909 4323 1 11 . 1 1 619 619 ALA N N 619 124.555 124.555 122.557 1.998 18909 4324 1 11 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.541 -0.313 18909 4325 1 11 . 1 1 619 619 ALA C C 619 177.455 177.455 175.711 1.744 18909 4326 1 11 . 1 1 619 619 ALA CA C 619 52.491 52.491 51.506 0.985 18909 4327 1 11 . 1 1 619 619 ALA CB C 619 19.203 19.203 20.867 -1.664 18909 4328 1 11 . 1 1 619 619 ALA H H 619 8.039 8.039 7.329 0.710 18909 4329 1 11 . 1 1 620 620 LYS N N 620 121.286 121.286 116.370 4.916 18909 4330 1 11 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.399 -0.166 18909 4331 1 11 . 1 1 620 620 LYS C C 620 175.548 175.548 176.315 -0.767 18909 4332 1 11 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.358 0.946 18909 4333 1 11 . 1 1 620 620 LYS CB C 620 32.974 32.974 32.504 0.470 18909 4334 1 11 . 1 1 620 620 LYS H H 620 8.139 8.139 8.284 -0.145 18909 4335 1 12 . 1 1 552 552 THR N N 552 120.945 120.945 119.530 1.415 18909 4336 1 12 . 1 1 552 552 THR HA H 552 4.505 4.505 4.416 0.089 18909 4337 1 12 . 1 1 552 552 THR CA C 552 59.439 59.439 60.434 -0.995 18909 4338 1 12 . 1 1 552 552 THR CB C 552 69.599 69.599 69.332 0.267 18909 4339 1 12 . 1 1 552 552 THR H H 552 8.265 8.265 7.854 0.411 18909 4340 1 12 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.560 -0.075 18909 4341 1 12 . 1 1 553 553 PRO C C 553 176.938 176.938 176.393 0.545 18909 4342 1 12 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.148 0.966 18909 4343 1 12 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.739 -0.555 18909 4344 1 12 . 1 1 554 554 TRP N N 554 124.095 124.095 120.055 4.040 18909 4345 1 12 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.556 -0.215 18909 4346 1 12 . 1 1 554 554 TRP C C 554 178.191 178.191 176.674 1.517 18909 4347 1 12 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.774 0.710 18909 4348 1 12 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.445 -0.089 18909 4349 1 12 . 1 1 554 554 TRP H H 554 8.989 8.989 8.545 0.444 18909 4350 1 12 . 1 1 555 555 THR N N 555 115.804 115.804 116.848 -1.044 18909 4351 1 12 . 1 1 555 555 THR HA H 555 4.653 4.653 4.405 0.248 18909 4352 1 12 . 1 1 555 555 THR C C 555 176.011 176.011 175.774 0.237 18909 4353 1 12 . 1 1 555 555 THR CA C 555 60.145 60.145 61.275 -1.130 18909 4354 1 12 . 1 1 555 555 THR CB C 555 71.749 71.749 70.127 1.622 18909 4355 1 12 . 1 1 555 555 THR H H 555 8.800 8.800 7.973 0.827 18909 4356 1 12 . 1 1 556 556 THR N N 556 116.791 116.791 115.519 1.272 18909 4357 1 12 . 1 1 556 556 THR HA H 556 3.934 3.934 3.999 -0.065 18909 4358 1 12 . 1 1 556 556 THR C C 556 176.992 176.992 176.306 0.686 18909 4359 1 12 . 1 1 556 556 THR CA C 556 66.329 66.329 67.138 -0.809 18909 4360 1 12 . 1 1 556 556 THR CB C 556 68.616 68.616 68.330 0.286 18909 4361 1 12 . 1 1 556 556 THR H H 556 8.866 8.866 8.556 0.310 18909 4362 1 12 . 1 1 557 557 GLU N N 557 121.303 121.303 120.552 0.751 18909 4363 1 12 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.182 -0.176 18909 4364 1 12 . 1 1 557 557 GLU C C 557 179.310 179.310 178.893 0.417 18909 4365 1 12 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.420 0.805 18909 4366 1 12 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.663 0.492 18909 4367 1 12 . 1 1 557 557 GLU H H 557 8.538 8.538 8.710 -0.172 18909 4368 1 12 . 1 1 558 558 GLU N N 558 119.737 119.737 120.541 -0.804 18909 4369 1 12 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.050 -0.135 18909 4370 1 12 . 1 1 558 558 GLU C C 558 178.844 178.844 179.576 -0.732 18909 4371 1 12 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.788 0.221 18909 4372 1 12 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.223 2.211 18909 4373 1 12 . 1 1 558 558 GLU H H 558 7.831 7.831 7.758 0.073 18909 4374 1 12 . 1 1 559 559 GLN N N 559 119.328 119.328 118.544 0.784 18909 4375 1 12 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.182 -0.065 18909 4376 1 12 . 1 1 559 559 GLN C C 559 178.155 178.155 178.566 -0.411 18909 4377 1 12 . 1 1 559 559 GLN CA C 559 59.355 59.355 59.018 0.337 18909 4378 1 12 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.681 -0.696 18909 4379 1 12 . 1 1 559 559 GLN H H 559 8.608 8.608 8.461 0.147 18909 4380 1 12 . 1 1 560 560 LYS N N 560 119.311 119.311 120.356 -1.045 18909 4381 1 12 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.056 0.049 18909 4382 1 12 . 1 1 560 560 LYS C C 560 179.880 179.880 179.446 0.434 18909 4383 1 12 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.596 0.141 18909 4384 1 12 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.250 -0.189 18909 4385 1 12 . 1 1 560 560 LYS H H 560 8.000 8.000 7.844 0.156 18909 4386 1 12 . 1 1 561 561 LEU N N 561 120.026 120.026 118.445 1.581 18909 4387 1 12 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.094 0.032 18909 4388 1 12 . 1 1 561 561 LEU C C 561 180.452 180.452 179.274 1.178 18909 4389 1 12 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.530 0.790 18909 4390 1 12 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.721 0.092 18909 4391 1 12 . 1 1 561 561 LEU H H 561 7.814 7.814 7.798 0.016 18909 4392 1 12 . 1 1 562 562 LEU N N 562 122.427 122.427 120.300 2.127 18909 4393 1 12 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.151 -0.155 18909 4394 1 12 . 1 1 562 562 LEU C C 562 177.428 177.428 178.322 -0.894 18909 4395 1 12 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.121 0.308 18909 4396 1 12 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.743 0.124 18909 4397 1 12 . 1 1 562 562 LEU H H 562 8.374 8.374 7.595 0.779 18909 4398 1 12 . 1 1 563 563 GLU N N 563 117.574 117.574 117.929 -0.355 18909 4399 1 12 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.929 -0.090 18909 4400 1 12 . 1 1 563 563 GLU C C 563 179.907 179.907 179.385 0.522 18909 4401 1 12 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.324 0.821 18909 4402 1 12 . 1 1 563 563 GLU CB C 563 29.405 29.405 28.973 0.432 18909 4403 1 12 . 1 1 563 563 GLU H H 563 8.541 8.541 8.623 -0.082 18909 4404 1 12 . 1 1 564 564 GLN N N 564 117.659 117.659 117.787 -0.128 18909 4405 1 12 . 1 1 564 564 GLN HA H 564 4.003 4.003 3.981 0.022 18909 4406 1 12 . 1 1 564 564 GLN C C 564 178.490 178.490 177.868 0.622 18909 4407 1 12 . 1 1 564 564 GLN CA C 564 58.375 58.375 59.083 -0.708 18909 4408 1 12 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.277 0.230 18909 4409 1 12 . 1 1 564 564 GLN H H 564 8.098 8.098 7.975 0.123 18909 4410 1 12 . 1 1 565 565 ALA N N 565 125.117 125.117 122.150 2.967 18909 4411 1 12 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.977 0.116 18909 4412 1 12 . 1 1 565 565 ALA C C 565 178.681 178.681 179.769 -1.088 18909 4413 1 12 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.228 1.096 18909 4414 1 12 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.027 1.285 18909 4415 1 12 . 1 1 565 565 ALA H H 565 8.270 8.270 7.396 0.874 18909 4416 1 12 . 1 1 566 566 LEU N N 566 117.217 117.217 119.588 -2.371 18909 4417 1 12 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.713 -0.132 18909 4418 1 12 . 1 1 566 566 LEU C C 566 178.409 178.409 179.316 -0.907 18909 4419 1 12 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.615 -0.058 18909 4420 1 12 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.426 0.618 18909 4421 1 12 . 1 1 566 566 LEU H H 566 8.170 8.170 8.288 -0.118 18909 4422 1 12 . 1 1 567 567 LYS N N 567 115.429 115.429 118.450 -3.021 18909 4423 1 12 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.121 -0.193 18909 4424 1 12 . 1 1 567 567 LYS C C 567 177.809 177.809 178.281 -0.472 18909 4425 1 12 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.648 -0.982 18909 4426 1 12 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.543 0.171 18909 4427 1 12 . 1 1 567 567 LYS H H 567 6.960 6.960 7.465 -0.505 18909 4428 1 12 . 1 1 568 568 THR N N 568 117.847 117.847 114.344 3.503 18909 4429 1 12 . 1 1 568 568 THR HA H 568 3.468 3.468 3.900 -0.432 18909 4430 1 12 . 1 1 568 568 THR C C 568 173.447 173.447 174.936 -1.489 18909 4431 1 12 . 1 1 568 568 THR CA C 568 65.620 65.620 65.147 0.473 18909 4432 1 12 . 1 1 568 568 THR CB C 568 69.080 69.080 69.047 0.033 18909 4433 1 12 . 1 1 568 568 THR H H 568 8.024 8.024 7.678 0.346 18909 4434 1 12 . 1 1 569 569 TYR N N 569 118.409 118.409 120.395 -1.986 18909 4435 1 12 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.871 0.029 18909 4436 1 12 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.328 -0.528 18909 4437 1 12 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.395 -0.130 18909 4438 1 12 . 1 1 569 569 TYR H H 569 7.690 7.690 7.439 0.251 18909 4439 1 12 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.328 0.179 18909 4440 1 12 . 1 1 570 570 PRO C C 570 177.728 177.728 178.163 -0.435 18909 4441 1 12 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.249 0.048 18909 4442 1 12 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.680 0.892 18909 4443 1 12 . 1 1 571 571 VAL N N 571 120.230 120.230 120.634 -0.404 18909 4444 1 12 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.637 -0.170 18909 4445 1 12 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.951 0.263 18909 4446 1 12 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.878 0.157 18909 4447 1 12 . 1 1 571 571 VAL H H 571 8.601 8.601 8.523 0.078 18909 4448 1 12 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.698 -0.221 18909 4449 1 12 . 1 1 572 572 ASN C C 572 175.194 175.194 175.507 -0.313 18909 4450 1 12 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.756 0.424 18909 4451 1 12 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.563 -1.599 18909 4452 1 12 . 1 1 573 573 THR N N 573 119.345 119.345 119.156 0.189 18909 4453 1 12 . 1 1 573 573 THR HA H 573 4.255 4.255 4.484 -0.229 18909 4454 1 12 . 1 1 573 573 THR CA C 573 62.108 62.108 61.431 0.677 18909 4455 1 12 . 1 1 573 573 THR CB C 573 70.852 70.852 68.942 1.909 18909 4456 1 12 . 1 1 573 573 THR H H 573 7.721 7.721 7.415 0.306 18909 4457 1 12 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.228 0.058 18909 4458 1 12 . 1 1 574 574 PRO C C 574 176.938 176.938 177.722 -0.784 18909 4459 1 12 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.975 -1.588 18909 4460 1 12 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.901 -0.181 18909 4461 1 12 . 1 1 575 575 GLU N N 575 118.953 118.953 115.836 3.117 18909 4462 1 12 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.522 -0.478 18909 4463 1 12 . 1 1 575 575 GLU C C 575 176.475 176.475 177.433 -0.958 18909 4464 1 12 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.260 1.698 18909 4465 1 12 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.646 -1.325 18909 4466 1 12 . 1 1 575 575 GLU H H 575 9.066 9.066 8.702 0.364 18909 4467 1 12 . 1 1 576 576 ARG N N 576 116.246 116.246 121.476 -5.230 18909 4468 1 12 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.773 -0.820 18909 4469 1 12 . 1 1 576 576 ARG C C 576 177.319 177.319 177.250 0.069 18909 4470 1 12 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.521 0.441 18909 4471 1 12 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.062 1.045 18909 4472 1 12 . 1 1 576 576 ARG H H 576 7.048 7.048 7.424 -0.376 18909 4473 1 12 . 1 1 577 577 TRP N N 577 114.935 114.935 116.423 -1.488 18909 4474 1 12 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.493 -0.427 18909 4475 1 12 . 1 1 577 577 TRP C C 577 177.782 177.782 178.257 -0.475 18909 4476 1 12 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.066 1.624 18909 4477 1 12 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.864 -0.468 18909 4478 1 12 . 1 1 577 577 TRP H H 577 8.238 8.238 8.152 0.086 18909 4479 1 12 . 1 1 578 578 LYS N N 578 122.682 122.682 119.617 3.065 18909 4480 1 12 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.068 -0.092 18909 4481 1 12 . 1 1 578 578 LYS C C 578 178.872 178.872 178.610 0.262 18909 4482 1 12 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.261 0.530 18909 4483 1 12 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.616 1.099 18909 4484 1 12 . 1 1 578 578 LYS H H 578 7.686 7.686 7.641 0.045 18909 4485 1 12 . 1 1 579 579 LYS N N 579 118.732 118.732 119.968 -1.236 18909 4486 1 12 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.235 -0.634 18909 4487 1 12 . 1 1 579 579 LYS C C 579 179.362 179.362 178.838 0.524 18909 4488 1 12 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.399 0.194 18909 4489 1 12 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.898 -2.329 18909 4490 1 12 . 1 1 579 579 LYS H H 579 7.375 7.375 7.485 -0.110 18909 4491 1 12 . 1 1 580 580 ILE N N 580 120.281 120.281 119.842 0.439 18909 4492 1 12 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.887 -0.476 18909 4493 1 12 . 1 1 580 580 ILE C C 580 176.747 176.747 177.562 -0.815 18909 4494 1 12 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.703 1.189 18909 4495 1 12 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.846 -0.229 18909 4496 1 12 . 1 1 580 580 ILE H H 580 8.206 8.206 7.827 0.379 18909 4497 1 12 . 1 1 581 581 ALA N N 581 119.004 119.004 122.652 -3.648 18909 4498 1 12 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.083 0.126 18909 4499 1 12 . 1 1 581 581 ALA C C 581 181.487 181.487 178.447 3.040 18909 4500 1 12 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.068 0.283 18909 4501 1 12 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.354 -1.167 18909 4502 1 12 . 1 1 581 581 ALA H H 581 7.944 7.944 7.817 0.127 18909 4503 1 12 . 1 1 582 582 GLU N N 582 117.557 117.557 117.416 0.141 18909 4504 1 12 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.120 -0.254 18909 4505 1 12 . 1 1 582 582 GLU C C 582 177.659 177.659 178.470 -0.811 18909 4506 1 12 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.286 0.327 18909 4507 1 12 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.688 -0.465 18909 4508 1 12 . 1 1 582 582 GLU H H 582 7.722 7.722 7.832 -0.110 18909 4509 1 12 . 1 1 583 583 ALA N N 583 120.247 120.247 120.867 -0.620 18909 4510 1 12 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.271 0.059 18909 4511 1 12 . 1 1 583 583 ALA C C 583 176.311 176.311 178.070 -1.759 18909 4512 1 12 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.680 -1.147 18909 4513 1 12 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.052 -0.638 18909 4514 1 12 . 1 1 583 583 ALA H H 583 7.486 7.486 7.411 0.075 18909 4515 1 12 . 1 1 584 584 VAL N N 584 120.230 120.230 119.020 1.210 18909 4516 1 12 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.552 -0.130 18909 4517 1 12 . 1 1 584 584 VAL CA C 584 59.330 59.330 59.265 0.065 18909 4518 1 12 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.888 -1.207 18909 4519 1 12 . 1 1 584 584 VAL H H 584 7.486 7.486 7.695 -0.209 18909 4520 1 12 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.688 -0.453 18909 4521 1 12 . 1 1 585 585 PRO C C 585 178.000 178.000 177.779 0.221 18909 4522 1 12 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.424 1.671 18909 4523 1 12 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.945 -1.279 18909 4524 1 12 . 1 1 586 586 GLY N N 586 111.258 111.258 108.438 2.820 18909 4525 1 12 . 1 1 586 586 GLY C C 586 174.077 174.077 174.164 -0.087 18909 4526 1 12 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.069 0.149 18909 4527 1 12 . 1 1 586 586 GLY H H 586 8.470 8.470 8.620 -0.150 18909 4528 1 12 . 1 1 587 587 ARG N N 587 118.885 118.885 120.205 -1.320 18909 4529 1 12 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.814 0.074 18909 4530 1 12 . 1 1 587 587 ARG C C 587 175.875 175.875 175.637 0.238 18909 4531 1 12 . 1 1 587 587 ARG CA C 587 52.327 52.327 54.093 -1.766 18909 4532 1 12 . 1 1 587 587 ARG CB C 587 32.360 32.360 31.550 0.810 18909 4533 1 12 . 1 1 587 587 ARG H H 587 7.588 7.588 7.607 -0.019 18909 4534 1 12 . 1 1 588 588 THR N N 588 111.905 111.905 115.383 -3.478 18909 4535 1 12 . 1 1 588 588 THR HA H 588 4.543 4.543 4.617 -0.074 18909 4536 1 12 . 1 1 588 588 THR C C 588 176.502 176.502 175.752 0.750 18909 4537 1 12 . 1 1 588 588 THR CA C 588 60.335 60.335 61.030 -0.695 18909 4538 1 12 . 1 1 588 588 THR CB C 588 72.376 72.376 70.245 2.131 18909 4539 1 12 . 1 1 588 588 THR H H 588 8.919 8.919 8.607 0.312 18909 4540 1 12 . 1 1 589 589 LYS N N 589 122.529 122.529 121.941 0.588 18909 4541 1 12 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.176 -0.240 18909 4542 1 12 . 1 1 589 589 LYS C C 589 177.945 177.945 178.294 -0.349 18909 4543 1 12 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.250 1.931 18909 4544 1 12 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.815 0.382 18909 4545 1 12 . 1 1 589 589 LYS H H 589 9.076 9.076 8.756 0.320 18909 4546 1 12 . 1 1 590 590 LYS N N 590 118.443 118.443 117.377 1.066 18909 4547 1 12 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.994 -0.125 18909 4548 1 12 . 1 1 590 590 LYS C C 590 178.888 178.888 178.056 0.832 18909 4549 1 12 . 1 1 590 590 LYS CA C 590 59.819 59.819 58.837 0.982 18909 4550 1 12 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.282 1.078 18909 4551 1 12 . 1 1 590 590 LYS H H 590 8.199 8.199 8.290 -0.091 18909 4552 1 12 . 1 1 591 591 ASP N N 591 120.281 120.281 121.277 -0.996 18909 4553 1 12 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.692 -0.351 18909 4554 1 12 . 1 1 591 591 ASP C C 591 179.771 179.771 178.608 1.163 18909 4555 1 12 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.325 -0.067 18909 4556 1 12 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.936 0.822 18909 4557 1 12 . 1 1 591 591 ASP H H 591 7.806 7.806 7.868 -0.062 18909 4558 1 12 . 1 1 592 592 CYS N N 592 118.153 118.153 118.314 -0.161 18909 4559 1 12 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.122 0.194 18909 4560 1 12 . 1 1 592 592 CYS C C 592 175.773 175.773 176.915 -1.142 18909 4561 1 12 . 1 1 592 592 CYS CA C 592 64.939 64.939 64.239 0.701 18909 4562 1 12 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.406 -0.358 18909 4563 1 12 . 1 1 592 592 CYS H H 592 8.551 8.551 7.918 0.633 18909 4564 1 12 . 1 1 593 593 MET N N 593 119.107 119.107 118.805 0.302 18909 4565 1 12 . 1 1 593 593 MET HA H 593 3.011 3.011 3.786 -0.775 18909 4566 1 12 . 1 1 593 593 MET C C 593 178.256 178.256 178.010 0.246 18909 4567 1 12 . 1 1 593 593 MET CA C 593 59.546 59.546 58.972 0.574 18909 4568 1 12 . 1 1 593 593 MET CB C 593 33.099 33.099 32.029 1.070 18909 4569 1 12 . 1 1 593 593 MET H H 593 8.226 8.226 8.142 0.084 18909 4570 1 12 . 1 1 594 594 LYS N N 594 120.230 120.230 120.322 -0.092 18909 4571 1 12 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.938 -0.057 18909 4572 1 12 . 1 1 594 594 LYS C C 594 178.396 178.396 178.986 -0.590 18909 4573 1 12 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.652 -0.297 18909 4574 1 12 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.254 0.266 18909 4575 1 12 . 1 1 594 594 LYS H H 594 7.947 7.947 8.027 -0.080 18909 4576 1 12 . 1 1 595 595 ARG N N 595 119.498 119.498 118.639 0.859 18909 4577 1 12 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.975 -0.112 18909 4578 1 12 . 1 1 595 595 ARG C C 595 177.728 177.728 178.229 -0.501 18909 4579 1 12 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.033 -1.075 18909 4580 1 12 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.125 0.307 18909 4581 1 12 . 1 1 595 595 ARG H H 595 7.964 7.964 8.135 -0.171 18909 4582 1 12 . 1 1 596 596 TYR N N 596 118.375 118.375 120.419 -2.044 18909 4583 1 12 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.131 -0.054 18909 4584 1 12 . 1 1 596 596 TYR C C 596 176.072 176.072 177.282 -1.210 18909 4585 1 12 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.048 0.171 18909 4586 1 12 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.478 0.719 18909 4587 1 12 . 1 1 596 596 TYR H H 596 8.161 8.161 7.938 0.223 18909 4588 1 12 . 1 1 597 597 LYS N N 597 117.932 117.932 119.283 -1.351 18909 4589 1 12 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.733 -0.150 18909 4590 1 12 . 1 1 597 597 LYS C C 597 178.941 178.941 178.683 0.258 18909 4591 1 12 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.852 -0.310 18909 4592 1 12 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.176 -0.174 18909 4593 1 12 . 1 1 597 597 LYS H H 597 7.709 7.709 8.091 -0.382 18909 4594 1 12 . 1 1 598 598 GLU N N 598 118.153 118.153 118.802 -0.649 18909 4595 1 12 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.068 -0.201 18909 4596 1 12 . 1 1 598 598 GLU C C 598 179.389 179.389 179.371 0.018 18909 4597 1 12 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.685 0.289 18909 4598 1 12 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.068 0.337 18909 4599 1 12 . 1 1 598 598 GLU H H 598 7.709 7.709 7.707 0.002 18909 4600 1 12 . 1 1 599 599 LEU N N 599 121.286 121.286 119.992 1.294 18909 4601 1 12 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.948 0.035 18909 4602 1 12 . 1 1 599 599 LEU C C 599 179.658 179.658 179.040 0.618 18909 4603 1 12 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.792 -0.017 18909 4604 1 12 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.696 -0.346 18909 4605 1 12 . 1 1 599 599 LEU H H 599 8.044 8.044 8.076 -0.032 18909 4606 1 12 . 1 1 600 600 VAL N N 600 119.583 119.583 119.145 0.438 18909 4607 1 12 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.411 0.075 18909 4608 1 12 . 1 1 600 600 VAL C C 600 178.899 178.899 178.049 0.850 18909 4609 1 12 . 1 1 600 600 VAL CA C 600 66.056 66.056 67.103 -1.047 18909 4610 1 12 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.205 0.365 18909 4611 1 12 . 1 1 600 600 VAL H H 600 7.998 7.998 7.836 0.162 18909 4612 1 12 . 1 1 601 601 GLU N N 601 119.073 119.073 118.878 0.195 18909 4613 1 12 . 1 1 601 601 GLU HA H 601 3.935 3.935 3.971 -0.036 18909 4614 1 12 . 1 1 601 601 GLU C C 601 178.931 178.931 179.290 -0.359 18909 4615 1 12 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.378 -0.731 18909 4616 1 12 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.531 -0.494 18909 4617 1 12 . 1 1 601 601 GLU H H 601 7.795 7.795 7.838 -0.043 18909 4618 1 12 . 1 1 602 602 MET N N 602 119.771 119.771 117.410 2.361 18909 4619 1 12 . 1 1 602 602 MET HA H 602 4.153 4.153 4.378 -0.225 18909 4620 1 12 . 1 1 602 602 MET C C 602 178.353 178.353 178.381 -0.028 18909 4621 1 12 . 1 1 602 602 MET CA C 602 58.484 58.484 58.685 -0.201 18909 4622 1 12 . 1 1 602 602 MET CB C 602 32.433 32.433 32.938 -0.505 18909 4623 1 12 . 1 1 602 602 MET H H 602 7.910 7.910 8.128 -0.218 18909 4624 1 12 . 1 1 603 603 VAL N N 603 120.332 120.332 121.291 -0.959 18909 4625 1 12 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.743 -0.062 18909 4626 1 12 . 1 1 603 603 VAL C C 603 178.203 178.203 177.177 1.026 18909 4627 1 12 . 1 1 603 603 VAL CA C 603 65.588 65.588 65.867 -0.279 18909 4628 1 12 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.917 -0.152 18909 4629 1 12 . 1 1 603 603 VAL H H 603 7.792 7.792 8.048 -0.256 18909 4630 1 12 . 1 1 604 604 LYS N N 604 121.047 121.047 120.191 0.856 18909 4631 1 12 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.126 -0.155 18909 4632 1 12 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.430 -0.563 18909 4633 1 12 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.936 0.807 18909 4634 1 12 . 1 1 604 604 LYS H H 604 7.855 7.855 7.763 0.092 18909 4635 1 12 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.156 0.011 18909 4636 1 12 . 1 1 605 605 ALA C C 605 179.644 179.644 179.280 0.364 18909 4637 1 12 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.842 -0.771 18909 4638 1 12 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.157 0.229 18909 4639 1 12 . 1 1 606 606 LYS N N 606 120.077 120.077 119.136 0.941 18909 4640 1 12 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.009 0.083 18909 4641 1 12 . 1 1 606 606 LYS C C 606 178.218 178.218 178.480 -0.262 18909 4642 1 12 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.465 -1.472 18909 4643 1 12 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.366 -0.033 18909 4644 1 12 . 1 1 606 606 LYS H H 606 7.967 7.967 7.809 0.158 18909 4645 1 12 . 1 1 607 607 LYS N N 607 120.979 120.979 119.130 1.849 18909 4646 1 12 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.049 0.056 18909 4647 1 12 . 1 1 607 607 LYS C C 607 177.864 177.864 178.734 -0.870 18909 4648 1 12 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.214 -1.221 18909 4649 1 12 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.470 0.026 18909 4650 1 12 . 1 1 607 607 LYS H H 607 8.013 8.013 7.833 0.180 18909 4651 1 12 . 1 1 608 608 ALA N N 608 122.801 122.801 121.182 1.619 18909 4652 1 12 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.078 0.082 18909 4653 1 12 . 1 1 608 608 ALA C C 608 179.035 179.035 179.322 -0.287 18909 4654 1 12 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.904 -1.160 18909 4655 1 12 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.359 0.081 18909 4656 1 12 . 1 1 608 608 ALA H H 608 8.034 8.034 7.850 0.184 18909 4657 1 12 . 1 1 609 609 ALA N N 609 121.524 121.524 119.446 2.078 18909 4658 1 12 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.153 0.041 18909 4659 1 12 . 1 1 609 609 ALA C C 609 179.062 179.062 178.978 0.084 18909 4660 1 12 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.148 -0.513 18909 4661 1 12 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.625 -0.130 18909 4662 1 12 . 1 1 609 609 ALA H H 609 7.930 7.930 7.951 -0.021 18909 4663 1 12 . 1 1 610 610 GLN N N 610 118.289 118.289 119.193 -0.904 18909 4664 1 12 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.224 -0.075 18909 4665 1 12 . 1 1 610 610 GLN C C 610 177.230 177.230 177.731 -0.501 18909 4666 1 12 . 1 1 610 610 GLN CA C 610 57.040 57.040 57.803 -0.763 18909 4667 1 12 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.986 -0.058 18909 4668 1 12 . 1 1 610 610 GLN H H 610 7.996 7.996 7.799 0.197 18909 4669 1 12 . 1 1 611 611 GLU N N 611 120.690 120.690 120.109 0.581 18909 4670 1 12 . 1 1 611 611 GLU HA H 611 4.098 4.098 3.947 0.151 18909 4671 1 12 . 1 1 611 611 GLU C C 611 177.237 177.237 178.974 -1.737 18909 4672 1 12 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.785 -2.010 18909 4673 1 12 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.583 0.271 18909 4674 1 12 . 1 1 611 611 GLU H H 611 8.156 8.156 8.138 0.018 18909 4675 1 12 . 1 1 612 612 GLN N N 612 119.771 119.771 117.917 1.854 18909 4676 1 12 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.086 0.100 18909 4677 1 12 . 1 1 612 612 GLN C C 612 176.949 176.949 178.900 -1.951 18909 4678 1 12 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.506 -1.561 18909 4679 1 12 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.913 -0.026 18909 4680 1 12 . 1 1 612 612 GLN H H 612 8.041 8.041 7.689 0.352 18909 4681 1 12 . 1 1 613 613 VAL N N 613 120.724 120.724 119.860 0.864 18909 4682 1 12 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.697 0.204 18909 4683 1 12 . 1 1 613 613 VAL C C 613 177.118 177.118 177.948 -0.830 18909 4684 1 12 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.766 -2.052 18909 4685 1 12 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.611 0.540 18909 4686 1 12 . 1 1 613 613 VAL H H 613 7.857 7.857 7.548 0.309 18909 4687 1 12 . 1 1 614 614 LEU N N 614 124.095 124.095 121.544 2.551 18909 4688 1 12 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.056 0.145 18909 4689 1 12 . 1 1 614 614 LEU C C 614 177.918 177.918 178.326 -0.408 18909 4690 1 12 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.856 -1.824 18909 4691 1 12 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.817 0.268 18909 4692 1 12 . 1 1 614 614 LEU H H 614 8.105 8.105 7.973 0.132 18909 4693 1 12 . 1 1 615 615 ASN N N 615 118.783 118.783 117.798 0.985 18909 4694 1 12 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.466 0.082 18909 4695 1 12 . 1 1 615 615 ASN C C 615 175.745 175.745 177.319 -1.574 18909 4696 1 12 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.674 -2.549 18909 4697 1 12 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.145 0.442 18909 4698 1 12 . 1 1 615 615 ASN H H 615 8.282 8.282 8.306 -0.024 18909 4699 1 12 . 1 1 616 616 ALA N N 616 123.857 123.857 122.587 1.270 18909 4700 1 12 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.287 -0.064 18909 4701 1 12 . 1 1 616 616 ALA C C 616 178.327 178.327 178.879 -0.552 18909 4702 1 12 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.383 -1.103 18909 4703 1 12 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.463 0.413 18909 4704 1 12 . 1 1 616 616 ALA H H 616 8.098 8.098 7.952 0.146 18909 4705 1 12 . 1 1 617 617 SER N N 617 114.101 114.101 113.090 1.011 18909 4706 1 12 . 1 1 617 617 SER HA H 617 4.337 4.337 4.278 0.059 18909 4707 1 12 . 1 1 617 617 SER C C 617 178.463 178.463 176.097 2.366 18909 4708 1 12 . 1 1 617 617 SER CA C 617 58.865 58.865 61.125 -2.260 18909 4709 1 12 . 1 1 617 617 SER CB C 617 63.659 63.659 63.221 0.438 18909 4710 1 12 . 1 1 617 617 SER H H 617 8.098 8.098 7.747 0.351 18909 4711 1 12 . 1 1 618 618 ARG N N 618 122.410 122.410 121.505 0.905 18909 4712 1 12 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.229 0.038 18909 4713 1 12 . 1 1 618 618 ARG C C 618 175.902 175.902 177.199 -1.297 18909 4714 1 12 . 1 1 618 618 ARG CA C 618 56.195 56.195 57.930 -1.735 18909 4715 1 12 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.840 -0.235 18909 4716 1 12 . 1 1 618 618 ARG H H 618 8.012 8.012 7.411 0.601 18909 4717 1 12 . 1 1 619 619 ALA N N 619 124.555 124.555 123.075 1.480 18909 4718 1 12 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.528 -0.300 18909 4719 1 12 . 1 1 619 619 ALA C C 619 177.455 177.455 175.935 1.520 18909 4720 1 12 . 1 1 619 619 ALA CA C 619 52.491 52.491 50.980 1.511 18909 4721 1 12 . 1 1 619 619 ALA CB C 619 19.203 19.203 18.239 0.964 18909 4722 1 12 . 1 1 619 619 ALA H H 619 8.039 8.039 7.986 0.053 18909 4723 1 12 . 1 1 620 620 LYS N N 620 121.286 121.286 124.746 -3.460 18909 4724 1 12 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.324 -0.091 18909 4725 1 12 . 1 1 620 620 LYS C C 620 175.548 175.548 176.044 -0.496 18909 4726 1 12 . 1 1 620 620 LYS CA C 620 56.304 56.304 56.293 0.011 18909 4727 1 12 . 1 1 620 620 LYS CB C 620 32.974 32.974 31.787 1.187 18909 4728 1 12 . 1 1 620 620 LYS H H 620 8.139 8.139 7.935 0.204 18909 4729 1 13 . 1 1 552 552 THR N N 552 120.945 120.945 121.015 -0.070 18909 4730 1 13 . 1 1 552 552 THR HA H 552 4.505 4.505 4.437 0.068 18909 4731 1 13 . 1 1 552 552 THR CA C 552 59.439 59.439 59.214 0.225 18909 4732 1 13 . 1 1 552 552 THR CB C 552 69.599 69.599 69.189 0.410 18909 4733 1 13 . 1 1 552 552 THR H H 552 8.265 8.265 7.703 0.562 18909 4734 1 13 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.276 0.209 18909 4735 1 13 . 1 1 553 553 PRO C C 553 176.938 176.938 176.508 0.430 18909 4736 1 13 . 1 1 553 553 PRO CA C 553 63.114 63.114 61.704 1.410 18909 4737 1 13 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.634 -0.450 18909 4738 1 13 . 1 1 554 554 TRP N N 554 124.095 124.095 120.412 3.683 18909 4739 1 13 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.477 -0.136 18909 4740 1 13 . 1 1 554 554 TRP C C 554 178.191 178.191 176.660 1.531 18909 4741 1 13 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.737 0.747 18909 4742 1 13 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.793 -0.437 18909 4743 1 13 . 1 1 554 554 TRP H H 554 8.989 8.989 8.340 0.649 18909 4744 1 13 . 1 1 555 555 THR N N 555 115.804 115.804 118.097 -2.293 18909 4745 1 13 . 1 1 555 555 THR HA H 555 4.653 4.653 4.542 0.111 18909 4746 1 13 . 1 1 555 555 THR C C 555 176.011 176.011 175.795 0.216 18909 4747 1 13 . 1 1 555 555 THR CA C 555 60.145 60.145 61.183 -1.038 18909 4748 1 13 . 1 1 555 555 THR CB C 555 71.749 71.749 70.229 1.520 18909 4749 1 13 . 1 1 555 555 THR H H 555 8.800 8.800 8.107 0.693 18909 4750 1 13 . 1 1 556 556 THR N N 556 116.791 116.791 116.553 0.238 18909 4751 1 13 . 1 1 556 556 THR HA H 556 3.934 3.934 3.997 -0.063 18909 4752 1 13 . 1 1 556 556 THR C C 556 176.992 176.992 176.478 0.514 18909 4753 1 13 . 1 1 556 556 THR CA C 556 66.329 66.329 66.551 -0.222 18909 4754 1 13 . 1 1 556 556 THR CB C 556 68.616 68.616 68.558 0.058 18909 4755 1 13 . 1 1 556 556 THR H H 556 8.866 8.866 8.509 0.357 18909 4756 1 13 . 1 1 557 557 GLU N N 557 121.303 121.303 121.113 0.190 18909 4757 1 13 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.086 -0.080 18909 4758 1 13 . 1 1 557 557 GLU C C 557 179.310 179.310 178.972 0.338 18909 4759 1 13 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.189 1.037 18909 4760 1 13 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.998 0.157 18909 4761 1 13 . 1 1 557 557 GLU H H 557 8.538 8.538 8.763 -0.225 18909 4762 1 13 . 1 1 558 558 GLU N N 558 119.737 119.737 119.352 0.385 18909 4763 1 13 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.141 -0.226 18909 4764 1 13 . 1 1 558 558 GLU C C 558 178.844 178.844 179.223 -0.379 18909 4765 1 13 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.007 1.002 18909 4766 1 13 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.147 2.287 18909 4767 1 13 . 1 1 558 558 GLU H H 558 7.831 7.831 7.768 0.063 18909 4768 1 13 . 1 1 559 559 GLN N N 559 119.328 119.328 119.653 -0.325 18909 4769 1 13 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.116 0.001 18909 4770 1 13 . 1 1 559 559 GLN C C 559 178.155 178.155 178.297 -0.142 18909 4771 1 13 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.860 0.495 18909 4772 1 13 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.520 -0.534 18909 4773 1 13 . 1 1 559 559 GLN H H 559 8.608 8.608 8.372 0.236 18909 4774 1 13 . 1 1 560 560 LYS N N 560 119.311 119.311 120.163 -0.852 18909 4775 1 13 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.109 -0.004 18909 4776 1 13 . 1 1 560 560 LYS C C 560 179.880 179.880 179.241 0.639 18909 4777 1 13 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.521 0.216 18909 4778 1 13 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.332 -0.271 18909 4779 1 13 . 1 1 560 560 LYS H H 560 8.000 8.000 7.800 0.200 18909 4780 1 13 . 1 1 561 561 LEU N N 561 120.026 120.026 119.465 0.561 18909 4781 1 13 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.122 0.004 18909 4782 1 13 . 1 1 561 561 LEU C C 561 180.452 180.452 179.323 1.129 18909 4783 1 13 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.510 0.810 18909 4784 1 13 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.844 -0.031 18909 4785 1 13 . 1 1 561 561 LEU H H 561 7.814 7.814 7.993 -0.179 18909 4786 1 13 . 1 1 562 562 LEU N N 562 122.427 122.427 120.343 2.084 18909 4787 1 13 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.153 -0.157 18909 4788 1 13 . 1 1 562 562 LEU C C 562 177.428 177.428 178.195 -0.767 18909 4789 1 13 . 1 1 562 562 LEU CA C 562 58.429 58.429 57.901 0.528 18909 4790 1 13 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.650 0.217 18909 4791 1 13 . 1 1 562 562 LEU H H 562 8.374 8.374 8.120 0.254 18909 4792 1 13 . 1 1 563 563 GLU N N 563 117.574 117.574 119.025 -1.451 18909 4793 1 13 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.870 -0.031 18909 4794 1 13 . 1 1 563 563 GLU C C 563 179.907 179.907 179.033 0.874 18909 4795 1 13 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.681 0.464 18909 4796 1 13 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.076 0.329 18909 4797 1 13 . 1 1 563 563 GLU H H 563 8.541 8.541 8.190 0.351 18909 4798 1 13 . 1 1 564 564 GLN N N 564 117.659 117.659 117.439 0.220 18909 4799 1 13 . 1 1 564 564 GLN HA H 564 4.003 4.003 3.960 0.043 18909 4800 1 13 . 1 1 564 564 GLN C C 564 178.490 178.490 178.060 0.430 18909 4801 1 13 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.719 -0.344 18909 4802 1 13 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.060 0.447 18909 4803 1 13 . 1 1 564 564 GLN H H 564 8.098 8.098 8.103 -0.005 18909 4804 1 13 . 1 1 565 565 ALA N N 565 125.117 125.117 122.904 2.213 18909 4805 1 13 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.796 0.297 18909 4806 1 13 . 1 1 565 565 ALA C C 565 178.681 178.681 179.453 -0.772 18909 4807 1 13 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.464 0.860 18909 4808 1 13 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.335 0.977 18909 4809 1 13 . 1 1 565 565 ALA H H 565 8.270 8.270 7.440 0.830 18909 4810 1 13 . 1 1 566 566 LEU N N 566 117.217 117.217 117.729 -0.512 18909 4811 1 13 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.831 -0.250 18909 4812 1 13 . 1 1 566 566 LEU C C 566 178.409 178.409 179.495 -1.086 18909 4813 1 13 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.289 0.268 18909 4814 1 13 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.480 0.564 18909 4815 1 13 . 1 1 566 566 LEU H H 566 8.170 8.170 8.168 0.002 18909 4816 1 13 . 1 1 567 567 LYS N N 567 115.429 115.429 118.776 -3.347 18909 4817 1 13 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.155 -0.227 18909 4818 1 13 . 1 1 567 567 LYS C C 567 177.809 177.809 178.380 -0.571 18909 4819 1 13 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.472 -0.806 18909 4820 1 13 . 1 1 567 567 LYS CB C 567 32.714 32.714 31.928 0.786 18909 4821 1 13 . 1 1 567 567 LYS H H 567 6.960 6.960 8.038 -1.078 18909 4822 1 13 . 1 1 568 568 THR N N 568 117.847 117.847 113.854 3.993 18909 4823 1 13 . 1 1 568 568 THR HA H 568 3.468 3.468 4.012 -0.544 18909 4824 1 13 . 1 1 568 568 THR C C 568 173.447 173.447 175.312 -1.865 18909 4825 1 13 . 1 1 568 568 THR CA C 568 65.620 65.620 64.425 1.195 18909 4826 1 13 . 1 1 568 568 THR CB C 568 69.080 69.080 69.094 -0.013 18909 4827 1 13 . 1 1 568 568 THR H H 568 8.024 8.024 7.480 0.544 18909 4828 1 13 . 1 1 569 569 TYR N N 569 118.409 118.409 121.556 -3.147 18909 4829 1 13 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.673 0.227 18909 4830 1 13 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.903 -1.103 18909 4831 1 13 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.083 0.182 18909 4832 1 13 . 1 1 569 569 TYR H H 569 7.690 7.690 7.539 0.151 18909 4833 1 13 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.526 -0.019 18909 4834 1 13 . 1 1 570 570 PRO C C 570 177.728 177.728 177.572 0.156 18909 4835 1 13 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.033 0.264 18909 4836 1 13 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.765 0.807 18909 4837 1 13 . 1 1 571 571 VAL N N 571 120.230 120.230 120.774 -0.544 18909 4838 1 13 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.681 -0.214 18909 4839 1 13 . 1 1 571 571 VAL CA C 571 65.214 65.214 63.743 1.471 18909 4840 1 13 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.125 -0.090 18909 4841 1 13 . 1 1 571 571 VAL H H 571 8.601 8.601 8.437 0.164 18909 4842 1 13 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.756 -0.279 18909 4843 1 13 . 1 1 572 572 ASN C C 572 175.194 175.194 175.252 -0.058 18909 4844 1 13 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.813 0.367 18909 4845 1 13 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.381 -1.417 18909 4846 1 13 . 1 1 573 573 THR N N 573 119.345 119.345 118.417 0.928 18909 4847 1 13 . 1 1 573 573 THR HA H 573 4.255 4.255 4.489 -0.234 18909 4848 1 13 . 1 1 573 573 THR CA C 573 62.108 62.108 60.463 1.645 18909 4849 1 13 . 1 1 573 573 THR CB C 573 70.852 70.852 69.286 1.566 18909 4850 1 13 . 1 1 573 573 THR H H 573 7.721 7.721 7.468 0.253 18909 4851 1 13 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.330 -0.044 18909 4852 1 13 . 1 1 574 574 PRO C C 574 176.938 176.938 177.089 -0.151 18909 4853 1 13 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.639 -1.252 18909 4854 1 13 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.953 -0.233 18909 4855 1 13 . 1 1 575 575 GLU N N 575 118.953 118.953 115.649 3.304 18909 4856 1 13 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.570 -0.526 18909 4857 1 13 . 1 1 575 575 GLU C C 575 176.475 176.475 177.378 -0.903 18909 4858 1 13 . 1 1 575 575 GLU CA C 575 56.958 56.958 54.905 2.053 18909 4859 1 13 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.267 -0.947 18909 4860 1 13 . 1 1 575 575 GLU H H 575 9.066 9.066 8.769 0.297 18909 4861 1 13 . 1 1 576 576 ARG N N 576 116.246 116.246 122.327 -6.081 18909 4862 1 13 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.655 -0.702 18909 4863 1 13 . 1 1 576 576 ARG C C 576 177.319 177.319 177.146 0.173 18909 4864 1 13 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.515 0.447 18909 4865 1 13 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.010 1.097 18909 4866 1 13 . 1 1 576 576 ARG H H 576 7.048 7.048 7.300 -0.252 18909 4867 1 13 . 1 1 577 577 TRP N N 577 114.935 114.935 117.077 -2.142 18909 4868 1 13 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.449 -0.383 18909 4869 1 13 . 1 1 577 577 TRP C C 577 177.782 177.782 178.262 -0.480 18909 4870 1 13 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.308 1.382 18909 4871 1 13 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.852 -0.456 18909 4872 1 13 . 1 1 577 577 TRP H H 577 8.238 8.238 8.010 0.228 18909 4873 1 13 . 1 1 578 578 LYS N N 578 122.682 122.682 119.204 3.478 18909 4874 1 13 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.001 -0.025 18909 4875 1 13 . 1 1 578 578 LYS C C 578 178.872 178.872 178.733 0.139 18909 4876 1 13 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.482 0.309 18909 4877 1 13 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.613 1.101 18909 4878 1 13 . 1 1 578 578 LYS H H 578 7.686 7.686 8.358 -0.672 18909 4879 1 13 . 1 1 579 579 LYS N N 579 118.732 118.732 119.576 -0.844 18909 4880 1 13 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.206 -0.605 18909 4881 1 13 . 1 1 579 579 LYS C C 579 179.362 179.362 178.841 0.521 18909 4882 1 13 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.521 0.072 18909 4883 1 13 . 1 1 579 579 LYS CB C 579 29.569 29.569 32.028 -2.459 18909 4884 1 13 . 1 1 579 579 LYS H H 579 7.375 7.375 7.460 -0.085 18909 4885 1 13 . 1 1 580 580 ILE N N 580 120.281 120.281 120.034 0.247 18909 4886 1 13 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.891 -0.480 18909 4887 1 13 . 1 1 580 580 ILE C C 580 176.747 176.747 177.704 -0.957 18909 4888 1 13 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.815 1.077 18909 4889 1 13 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.717 -0.100 18909 4890 1 13 . 1 1 580 580 ILE H H 580 8.206 8.206 7.797 0.409 18909 4891 1 13 . 1 1 581 581 ALA N N 581 119.004 119.004 122.425 -3.421 18909 4892 1 13 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.187 0.022 18909 4893 1 13 . 1 1 581 581 ALA C C 581 181.487 181.487 179.004 2.483 18909 4894 1 13 . 1 1 581 581 ALA CA C 581 55.351 55.351 54.822 0.529 18909 4895 1 13 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.437 -1.250 18909 4896 1 13 . 1 1 581 581 ALA H H 581 7.944 7.944 7.863 0.081 18909 4897 1 13 . 1 1 582 582 GLU N N 582 117.557 117.557 118.312 -0.755 18909 4898 1 13 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.292 -0.426 18909 4899 1 13 . 1 1 582 582 GLU C C 582 177.659 177.659 177.361 0.298 18909 4900 1 13 . 1 1 582 582 GLU CA C 582 58.613 58.613 57.856 0.757 18909 4901 1 13 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.839 -0.616 18909 4902 1 13 . 1 1 582 582 GLU H H 582 7.722 7.722 7.865 -0.143 18909 4903 1 13 . 1 1 583 583 ALA N N 583 120.247 120.247 121.370 -1.123 18909 4904 1 13 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.389 -0.059 18909 4905 1 13 . 1 1 583 583 ALA C C 583 176.311 176.311 177.690 -1.379 18909 4906 1 13 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.554 -1.021 18909 4907 1 13 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.487 -1.073 18909 4908 1 13 . 1 1 583 583 ALA H H 583 7.486 7.486 7.487 -0.001 18909 4909 1 13 . 1 1 584 584 VAL N N 584 120.230 120.230 119.517 0.713 18909 4910 1 13 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.608 -0.186 18909 4911 1 13 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.243 1.087 18909 4912 1 13 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.503 -0.822 18909 4913 1 13 . 1 1 584 584 VAL H H 584 7.486 7.486 7.864 -0.378 18909 4914 1 13 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.699 -0.464 18909 4915 1 13 . 1 1 585 585 PRO C C 585 178.000 178.000 176.973 1.027 18909 4916 1 13 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.448 1.647 18909 4917 1 13 . 1 1 585 585 PRO CB C 585 31.666 31.666 31.751 -0.085 18909 4918 1 13 . 1 1 586 586 GLY N N 586 111.258 111.258 112.656 -1.398 18909 4919 1 13 . 1 1 586 586 GLY C C 586 174.077 174.077 173.913 0.164 18909 4920 1 13 . 1 1 586 586 GLY CA C 586 45.218 45.218 44.901 0.317 18909 4921 1 13 . 1 1 586 586 GLY H H 586 8.470 8.470 8.491 -0.021 18909 4922 1 13 . 1 1 587 587 ARG N N 587 118.885 118.885 123.834 -4.949 18909 4923 1 13 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.478 0.410 18909 4924 1 13 . 1 1 587 587 ARG C C 587 175.875 175.875 175.109 0.766 18909 4925 1 13 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.658 -1.331 18909 4926 1 13 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.299 2.062 18909 4927 1 13 . 1 1 587 587 ARG H H 587 7.588 7.588 8.164 -0.576 18909 4928 1 13 . 1 1 588 588 THR N N 588 111.905 111.905 114.870 -2.965 18909 4929 1 13 . 1 1 588 588 THR HA H 588 4.543 4.543 4.452 0.091 18909 4930 1 13 . 1 1 588 588 THR C C 588 176.502 176.502 175.804 0.698 18909 4931 1 13 . 1 1 588 588 THR CA C 588 60.335 60.335 60.958 -0.623 18909 4932 1 13 . 1 1 588 588 THR CB C 588 72.376 72.376 70.308 2.067 18909 4933 1 13 . 1 1 588 588 THR H H 588 8.919 8.919 8.265 0.654 18909 4934 1 13 . 1 1 589 589 LYS N N 589 122.529 122.529 121.282 1.247 18909 4935 1 13 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.273 -0.337 18909 4936 1 13 . 1 1 589 589 LYS C C 589 177.945 177.945 178.547 -0.602 18909 4937 1 13 . 1 1 589 589 LYS CA C 589 61.181 61.181 58.942 2.239 18909 4938 1 13 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.833 0.364 18909 4939 1 13 . 1 1 589 589 LYS H H 589 9.076 9.076 8.620 0.456 18909 4940 1 13 . 1 1 590 590 LYS N N 590 118.443 118.443 117.175 1.268 18909 4941 1 13 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.973 -0.104 18909 4942 1 13 . 1 1 590 590 LYS C C 590 178.888 178.888 178.112 0.776 18909 4943 1 13 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.371 0.448 18909 4944 1 13 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.760 0.600 18909 4945 1 13 . 1 1 590 590 LYS H H 590 8.199 8.199 8.376 -0.177 18909 4946 1 13 . 1 1 591 591 ASP N N 591 120.281 120.281 121.332 -1.051 18909 4947 1 13 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.762 -0.421 18909 4948 1 13 . 1 1 591 591 ASP C C 591 179.771 179.771 178.706 1.065 18909 4949 1 13 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.561 -0.303 18909 4950 1 13 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.599 1.159 18909 4951 1 13 . 1 1 591 591 ASP H H 591 7.806 7.806 8.021 -0.215 18909 4952 1 13 . 1 1 592 592 CYS N N 592 118.153 118.153 119.505 -1.352 18909 4953 1 13 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.430 -0.114 18909 4954 1 13 . 1 1 592 592 CYS C C 592 175.773 175.773 176.781 -1.008 18909 4955 1 13 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.411 1.528 18909 4956 1 13 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.334 -0.286 18909 4957 1 13 . 1 1 592 592 CYS H H 592 8.551 8.551 8.174 0.377 18909 4958 1 13 . 1 1 593 593 MET N N 593 119.107 119.107 119.165 -0.058 18909 4959 1 13 . 1 1 593 593 MET HA H 593 3.011 3.011 3.559 -0.548 18909 4960 1 13 . 1 1 593 593 MET C C 593 178.256 178.256 178.078 0.178 18909 4961 1 13 . 1 1 593 593 MET CA C 593 59.546 59.546 59.060 0.486 18909 4962 1 13 . 1 1 593 593 MET CB C 593 33.099 33.099 31.935 1.164 18909 4963 1 13 . 1 1 593 593 MET H H 593 8.226 8.226 8.228 -0.002 18909 4964 1 13 . 1 1 594 594 LYS N N 594 120.230 120.230 120.207 0.023 18909 4965 1 13 . 1 1 594 594 LYS HA H 594 3.881 3.881 4.021 -0.140 18909 4966 1 13 . 1 1 594 594 LYS C C 594 178.396 178.396 178.820 -0.424 18909 4967 1 13 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.131 0.224 18909 4968 1 13 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.032 0.488 18909 4969 1 13 . 1 1 594 594 LYS H H 594 7.947 7.947 7.811 0.136 18909 4970 1 13 . 1 1 595 595 ARG N N 595 119.498 119.498 119.909 -0.411 18909 4971 1 13 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.338 -0.475 18909 4972 1 13 . 1 1 595 595 ARG C C 595 177.728 177.728 178.875 -1.147 18909 4973 1 13 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.186 -1.228 18909 4974 1 13 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.169 0.263 18909 4975 1 13 . 1 1 595 595 ARG H H 595 7.964 7.964 8.020 -0.056 18909 4976 1 13 . 1 1 596 596 TYR N N 596 118.375 118.375 120.899 -2.524 18909 4977 1 13 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.159 -0.082 18909 4978 1 13 . 1 1 596 596 TYR C C 596 176.072 176.072 177.575 -1.503 18909 4979 1 13 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.374 -0.155 18909 4980 1 13 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.334 0.863 18909 4981 1 13 . 1 1 596 596 TYR H H 596 8.161 8.161 8.391 -0.230 18909 4982 1 13 . 1 1 597 597 LYS N N 597 117.932 117.932 119.331 -1.399 18909 4983 1 13 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.819 -0.236 18909 4984 1 13 . 1 1 597 597 LYS C C 597 178.941 178.941 178.946 -0.005 18909 4985 1 13 . 1 1 597 597 LYS CA C 597 59.542 59.542 58.968 0.574 18909 4986 1 13 . 1 1 597 597 LYS CB C 597 32.002 32.002 31.939 0.063 18909 4987 1 13 . 1 1 597 597 LYS H H 597 7.709 7.709 7.963 -0.254 18909 4988 1 13 . 1 1 598 598 GLU N N 598 118.153 118.153 119.791 -1.638 18909 4989 1 13 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.028 -0.161 18909 4990 1 13 . 1 1 598 598 GLU C C 598 179.389 179.389 179.185 0.204 18909 4991 1 13 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.256 -0.282 18909 4992 1 13 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.467 -0.062 18909 4993 1 13 . 1 1 598 598 GLU H H 598 7.709 7.709 7.999 -0.290 18909 4994 1 13 . 1 1 599 599 LEU N N 599 121.286 121.286 120.240 1.046 18909 4995 1 13 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.962 0.021 18909 4996 1 13 . 1 1 599 599 LEU C C 599 179.658 179.658 178.863 0.795 18909 4997 1 13 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.865 -0.090 18909 4998 1 13 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.614 -0.264 18909 4999 1 13 . 1 1 599 599 LEU H H 599 8.044 8.044 8.096 -0.052 18909 5000 1 13 . 1 1 600 600 VAL N N 600 119.583 119.583 118.904 0.679 18909 5001 1 13 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.503 -0.017 18909 5002 1 13 . 1 1 600 600 VAL C C 600 178.899 178.899 178.525 0.374 18909 5003 1 13 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.286 -0.230 18909 5004 1 13 . 1 1 600 600 VAL CB C 600 31.570 31.570 30.464 1.106 18909 5005 1 13 . 1 1 600 600 VAL H H 600 7.998 7.998 7.819 0.179 18909 5006 1 13 . 1 1 601 601 GLU N N 601 119.073 119.073 119.832 -0.759 18909 5007 1 13 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.015 -0.080 18909 5008 1 13 . 1 1 601 601 GLU C C 601 178.931 178.931 179.269 -0.338 18909 5009 1 13 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.336 -0.689 18909 5010 1 13 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.123 -0.086 18909 5011 1 13 . 1 1 601 601 GLU H H 601 7.795 7.795 7.891 -0.096 18909 5012 1 13 . 1 1 602 602 MET N N 602 119.771 119.771 118.717 1.054 18909 5013 1 13 . 1 1 602 602 MET HA H 602 4.153 4.153 4.149 0.004 18909 5014 1 13 . 1 1 602 602 MET C C 602 178.353 178.353 179.052 -0.699 18909 5015 1 13 . 1 1 602 602 MET CA C 602 58.484 58.484 59.044 -0.560 18909 5016 1 13 . 1 1 602 602 MET CB C 602 32.433 32.433 32.773 -0.341 18909 5017 1 13 . 1 1 602 602 MET H H 602 7.910 7.910 8.022 -0.112 18909 5018 1 13 . 1 1 603 603 VAL N N 603 120.332 120.332 120.607 -0.275 18909 5019 1 13 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.519 0.162 18909 5020 1 13 . 1 1 603 603 VAL C C 603 178.203 178.203 177.535 0.668 18909 5021 1 13 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.876 -1.288 18909 5022 1 13 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.427 0.338 18909 5023 1 13 . 1 1 603 603 VAL H H 603 7.792 7.792 8.311 -0.519 18909 5024 1 13 . 1 1 604 604 LYS N N 604 121.047 121.047 119.446 1.601 18909 5025 1 13 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.936 0.035 18909 5026 1 13 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.834 -0.967 18909 5027 1 13 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.257 0.486 18909 5028 1 13 . 1 1 604 604 LYS H H 604 7.855 7.855 7.871 -0.016 18909 5029 1 13 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.083 0.084 18909 5030 1 13 . 1 1 605 605 ALA C C 605 179.644 179.644 179.380 0.264 18909 5031 1 13 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.198 -1.127 18909 5032 1 13 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.184 0.202 18909 5033 1 13 . 1 1 606 606 LYS N N 606 120.077 120.077 118.686 1.391 18909 5034 1 13 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.979 0.113 18909 5035 1 13 . 1 1 606 606 LYS C C 606 178.218 178.218 178.791 -0.573 18909 5036 1 13 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.319 -1.326 18909 5037 1 13 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.397 -0.064 18909 5038 1 13 . 1 1 606 606 LYS H H 606 7.967 7.967 7.630 0.337 18909 5039 1 13 . 1 1 607 607 LYS N N 607 120.979 120.979 118.779 2.200 18909 5040 1 13 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.038 0.067 18909 5041 1 13 . 1 1 607 607 LYS C C 607 177.864 177.864 179.125 -1.261 18909 5042 1 13 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.129 -1.136 18909 5043 1 13 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.393 0.103 18909 5044 1 13 . 1 1 607 607 LYS H H 607 8.013 8.013 7.958 0.055 18909 5045 1 13 . 1 1 608 608 ALA N N 608 122.801 122.801 121.625 1.176 18909 5046 1 13 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.170 -0.010 18909 5047 1 13 . 1 1 608 608 ALA C C 608 179.035 179.035 179.361 -0.326 18909 5048 1 13 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.860 -1.116 18909 5049 1 13 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.095 0.345 18909 5050 1 13 . 1 1 608 608 ALA H H 608 8.034 8.034 7.975 0.059 18909 5051 1 13 . 1 1 609 609 ALA N N 609 121.524 121.524 120.577 0.947 18909 5052 1 13 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.044 0.150 18909 5053 1 13 . 1 1 609 609 ALA C C 609 179.062 179.062 180.204 -1.142 18909 5054 1 13 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.913 -1.278 18909 5055 1 13 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.237 0.258 18909 5056 1 13 . 1 1 609 609 ALA H H 609 7.930 7.930 7.808 0.122 18909 5057 1 13 . 1 1 610 610 GLN N N 610 118.289 118.289 117.067 1.222 18909 5058 1 13 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.082 0.067 18909 5059 1 13 . 1 1 610 610 GLN C C 610 177.230 177.230 178.438 -1.208 18909 5060 1 13 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.396 -1.356 18909 5061 1 13 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.454 0.474 18909 5062 1 13 . 1 1 610 610 GLN H H 610 7.996 7.996 8.135 -0.139 18909 5063 1 13 . 1 1 611 611 GLU N N 611 120.690 120.690 120.531 0.159 18909 5064 1 13 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.041 0.057 18909 5065 1 13 . 1 1 611 611 GLU C C 611 177.237 177.237 178.720 -1.483 18909 5066 1 13 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.248 -1.473 18909 5067 1 13 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.750 0.104 18909 5068 1 13 . 1 1 611 611 GLU H H 611 8.156 8.156 7.770 0.386 18909 5069 1 13 . 1 1 612 612 GLN N N 612 119.771 119.771 117.027 2.744 18909 5070 1 13 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.149 0.037 18909 5071 1 13 . 1 1 612 612 GLN C C 612 176.949 176.949 177.842 -0.893 18909 5072 1 13 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.400 -1.455 18909 5073 1 13 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.479 0.408 18909 5074 1 13 . 1 1 612 612 GLN H H 612 8.041 8.041 8.129 -0.088 18909 5075 1 13 . 1 1 613 613 VAL N N 613 120.724 120.724 118.495 2.229 18909 5076 1 13 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.901 -0.000 18909 5077 1 13 . 1 1 613 613 VAL C C 613 177.118 177.118 177.481 -0.363 18909 5078 1 13 . 1 1 613 613 VAL CA C 613 63.714 63.714 64.486 -0.772 18909 5079 1 13 . 1 1 613 613 VAL CB C 613 32.151 32.151 32.153 -0.001 18909 5080 1 13 . 1 1 613 613 VAL H H 613 7.857 7.857 7.356 0.501 18909 5081 1 13 . 1 1 614 614 LEU N N 614 124.095 124.095 121.543 2.552 18909 5082 1 13 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.979 0.222 18909 5083 1 13 . 1 1 614 614 LEU C C 614 177.918 177.918 178.055 -0.137 18909 5084 1 13 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.602 -1.570 18909 5085 1 13 . 1 1 614 614 LEU CB C 614 42.085 42.085 42.117 -0.032 18909 5086 1 13 . 1 1 614 614 LEU H H 614 8.105 8.105 7.702 0.403 18909 5087 1 13 . 1 1 615 615 ASN N N 615 118.783 118.783 117.472 1.311 18909 5088 1 13 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.485 0.063 18909 5089 1 13 . 1 1 615 615 ASN C C 615 175.745 175.745 177.256 -1.511 18909 5090 1 13 . 1 1 615 615 ASN CA C 615 54.125 54.125 55.482 -1.357 18909 5091 1 13 . 1 1 615 615 ASN CB C 615 38.587 38.587 37.273 1.314 18909 5092 1 13 . 1 1 615 615 ASN H H 615 8.282 8.282 8.221 0.061 18909 5093 1 13 . 1 1 616 616 ALA N N 616 123.857 123.857 122.199 1.658 18909 5094 1 13 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.208 0.015 18909 5095 1 13 . 1 1 616 616 ALA C C 616 178.327 178.327 178.524 -0.197 18909 5096 1 13 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.300 -1.020 18909 5097 1 13 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.410 0.466 18909 5098 1 13 . 1 1 616 616 ALA H H 616 8.098 8.098 7.477 0.621 18909 5099 1 13 . 1 1 617 617 SER N N 617 114.101 114.101 112.224 1.877 18909 5100 1 13 . 1 1 617 617 SER HA H 617 4.337 4.337 4.407 -0.070 18909 5101 1 13 . 1 1 617 617 SER C C 617 178.463 178.463 175.880 2.583 18909 5102 1 13 . 1 1 617 617 SER CA C 617 58.865 58.865 60.179 -1.314 18909 5103 1 13 . 1 1 617 617 SER CB C 617 63.659 63.659 63.489 0.170 18909 5104 1 13 . 1 1 617 617 SER H H 617 8.098 8.098 7.517 0.581 18909 5105 1 13 . 1 1 618 618 ARG N N 618 122.410 122.410 121.314 1.096 18909 5106 1 13 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.447 -0.180 18909 5107 1 13 . 1 1 618 618 ARG C C 618 175.902 175.902 176.108 -0.206 18909 5108 1 13 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.919 0.276 18909 5109 1 13 . 1 1 618 618 ARG CB C 618 30.604 30.604 31.233 -0.629 18909 5110 1 13 . 1 1 618 618 ARG H H 618 8.012 8.012 7.668 0.344 18909 5111 1 13 . 1 1 619 619 ALA N N 619 124.555 124.555 123.185 1.370 18909 5112 1 13 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.591 -0.363 18909 5113 1 13 . 1 1 619 619 ALA C C 619 177.455 177.455 177.220 0.235 18909 5114 1 13 . 1 1 619 619 ALA CA C 619 52.491 52.491 51.931 0.560 18909 5115 1 13 . 1 1 619 619 ALA CB C 619 19.203 19.203 20.160 -0.957 18909 5116 1 13 . 1 1 619 619 ALA H H 619 8.039 8.039 7.786 0.253 18909 5117 1 13 . 1 1 620 620 LYS N N 620 121.286 121.286 120.751 0.535 18909 5118 1 13 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.354 -0.121 18909 5119 1 13 . 1 1 620 620 LYS C C 620 175.548 175.548 176.913 -1.365 18909 5120 1 13 . 1 1 620 620 LYS CA C 620 56.304 56.304 56.530 -0.226 18909 5121 1 13 . 1 1 620 620 LYS CB C 620 32.974 32.974 32.920 0.054 18909 5122 1 13 . 1 1 620 620 LYS H H 620 8.139 8.139 8.486 -0.347 18909 5123 1 14 . 1 1 552 552 THR N N 552 120.945 120.945 120.946 -0.001 18909 5124 1 14 . 1 1 552 552 THR HA H 552 4.505 4.505 4.341 0.164 18909 5125 1 14 . 1 1 552 552 THR CA C 552 59.439 59.439 59.491 -0.052 18909 5126 1 14 . 1 1 552 552 THR CB C 552 69.599 69.599 70.172 -0.573 18909 5127 1 14 . 1 1 552 552 THR H H 552 8.265 8.265 8.057 0.208 18909 5128 1 14 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.319 0.166 18909 5129 1 14 . 1 1 553 553 PRO C C 553 176.938 176.938 176.912 0.026 18909 5130 1 14 . 1 1 553 553 PRO CA C 553 63.114 63.114 61.829 1.285 18909 5131 1 14 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.816 -0.631 18909 5132 1 14 . 1 1 554 554 TRP N N 554 124.095 124.095 120.827 3.268 18909 5133 1 14 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.589 -0.248 18909 5134 1 14 . 1 1 554 554 TRP C C 554 178.191 178.191 176.990 1.201 18909 5135 1 14 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.175 1.309 18909 5136 1 14 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.052 0.304 18909 5137 1 14 . 1 1 554 554 TRP H H 554 8.989 8.989 8.517 0.472 18909 5138 1 14 . 1 1 555 555 THR N N 555 115.804 115.804 117.052 -1.248 18909 5139 1 14 . 1 1 555 555 THR HA H 555 4.653 4.653 4.402 0.251 18909 5140 1 14 . 1 1 555 555 THR C C 555 176.011 176.011 175.850 0.161 18909 5141 1 14 . 1 1 555 555 THR CA C 555 60.145 60.145 61.815 -1.670 18909 5142 1 14 . 1 1 555 555 THR CB C 555 71.749 71.749 70.358 1.391 18909 5143 1 14 . 1 1 555 555 THR H H 555 8.800 8.800 8.043 0.757 18909 5144 1 14 . 1 1 556 556 THR N N 556 116.791 116.791 116.178 0.613 18909 5145 1 14 . 1 1 556 556 THR HA H 556 3.934 3.934 3.935 -0.001 18909 5146 1 14 . 1 1 556 556 THR C C 556 176.992 176.992 176.479 0.513 18909 5147 1 14 . 1 1 556 556 THR CA C 556 66.329 66.329 67.223 -0.894 18909 5148 1 14 . 1 1 556 556 THR CB C 556 68.616 68.616 68.650 -0.034 18909 5149 1 14 . 1 1 556 556 THR H H 556 8.866 8.866 8.581 0.285 18909 5150 1 14 . 1 1 557 557 GLU N N 557 121.303 121.303 120.640 0.663 18909 5151 1 14 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.150 -0.144 18909 5152 1 14 . 1 1 557 557 GLU C C 557 179.310 179.310 178.708 0.602 18909 5153 1 14 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.358 0.868 18909 5154 1 14 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.651 0.504 18909 5155 1 14 . 1 1 557 557 GLU H H 557 8.538 8.538 8.798 -0.260 18909 5156 1 14 . 1 1 558 558 GLU N N 558 119.737 119.737 120.392 -0.655 18909 5157 1 14 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.039 -0.124 18909 5158 1 14 . 1 1 558 558 GLU C C 558 178.844 178.844 179.335 -0.491 18909 5159 1 14 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.054 0.955 18909 5160 1 14 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.348 2.086 18909 5161 1 14 . 1 1 558 558 GLU H H 558 7.831 7.831 7.672 0.159 18909 5162 1 14 . 1 1 559 559 GLN N N 559 119.328 119.328 119.663 -0.335 18909 5163 1 14 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.299 -0.182 18909 5164 1 14 . 1 1 559 559 GLN C C 559 178.155 178.155 178.133 0.022 18909 5165 1 14 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.834 0.521 18909 5166 1 14 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.499 -0.514 18909 5167 1 14 . 1 1 559 559 GLN H H 559 8.608 8.608 8.532 0.076 18909 5168 1 14 . 1 1 560 560 LYS N N 560 119.311 119.311 120.358 -1.047 18909 5169 1 14 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.118 -0.013 18909 5170 1 14 . 1 1 560 560 LYS C C 560 179.880 179.880 179.364 0.516 18909 5171 1 14 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.396 0.341 18909 5172 1 14 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.348 -0.287 18909 5173 1 14 . 1 1 560 560 LYS H H 560 8.000 8.000 7.605 0.395 18909 5174 1 14 . 1 1 561 561 LEU N N 561 120.026 120.026 120.001 0.025 18909 5175 1 14 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.042 0.084 18909 5176 1 14 . 1 1 561 561 LEU C C 561 180.452 180.452 179.056 1.396 18909 5177 1 14 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.784 0.536 18909 5178 1 14 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.681 0.132 18909 5179 1 14 . 1 1 561 561 LEU H H 561 7.814 7.814 8.221 -0.407 18909 5180 1 14 . 1 1 562 562 LEU N N 562 122.427 122.427 120.604 1.823 18909 5181 1 14 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.094 -0.098 18909 5182 1 14 . 1 1 562 562 LEU C C 562 177.428 177.428 178.139 -0.711 18909 5183 1 14 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.412 0.017 18909 5184 1 14 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.715 0.152 18909 5185 1 14 . 1 1 562 562 LEU H H 562 8.374 8.374 7.856 0.518 18909 5186 1 14 . 1 1 563 563 GLU N N 563 117.574 117.574 118.026 -0.452 18909 5187 1 14 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.866 -0.027 18909 5188 1 14 . 1 1 563 563 GLU C C 563 179.907 179.907 179.318 0.589 18909 5189 1 14 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.264 0.881 18909 5190 1 14 . 1 1 563 563 GLU CB C 563 29.405 29.405 28.848 0.557 18909 5191 1 14 . 1 1 563 563 GLU H H 563 8.541 8.541 8.093 0.448 18909 5192 1 14 . 1 1 564 564 GLN N N 564 117.659 117.659 119.836 -2.177 18909 5193 1 14 . 1 1 564 564 GLN HA H 564 4.003 4.003 3.919 0.084 18909 5194 1 14 . 1 1 564 564 GLN C C 564 178.490 178.490 177.986 0.504 18909 5195 1 14 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.977 -0.602 18909 5196 1 14 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.689 -0.182 18909 5197 1 14 . 1 1 564 564 GLN H H 564 8.098 8.098 8.130 -0.032 18909 5198 1 14 . 1 1 565 565 ALA N N 565 125.117 125.117 121.937 3.180 18909 5199 1 14 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.813 0.280 18909 5200 1 14 . 1 1 565 565 ALA C C 565 178.681 178.681 179.843 -1.162 18909 5201 1 14 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.671 0.653 18909 5202 1 14 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.268 1.044 18909 5203 1 14 . 1 1 565 565 ALA H H 565 8.270 8.270 7.543 0.727 18909 5204 1 14 . 1 1 566 566 LEU N N 566 117.217 117.217 117.515 -0.298 18909 5205 1 14 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.726 -0.145 18909 5206 1 14 . 1 1 566 566 LEU C C 566 178.409 178.409 178.566 -0.157 18909 5207 1 14 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.843 0.714 18909 5208 1 14 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.711 0.333 18909 5209 1 14 . 1 1 566 566 LEU H H 566 8.170 8.170 8.205 -0.035 18909 5210 1 14 . 1 1 567 567 LYS N N 567 115.429 115.429 118.010 -2.581 18909 5211 1 14 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.083 -0.155 18909 5212 1 14 . 1 1 567 567 LYS C C 567 177.809 177.809 178.001 -0.192 18909 5213 1 14 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.408 -0.742 18909 5214 1 14 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.375 0.339 18909 5215 1 14 . 1 1 567 567 LYS H H 567 6.960 6.960 7.388 -0.428 18909 5216 1 14 . 1 1 568 568 THR N N 568 117.847 117.847 114.265 3.582 18909 5217 1 14 . 1 1 568 568 THR HA H 568 3.468 3.468 3.937 -0.469 18909 5218 1 14 . 1 1 568 568 THR C C 568 173.447 173.447 174.583 -1.136 18909 5219 1 14 . 1 1 568 568 THR CA C 568 65.620 65.620 64.896 0.724 18909 5220 1 14 . 1 1 568 568 THR CB C 568 69.080 69.080 68.922 0.158 18909 5221 1 14 . 1 1 568 568 THR H H 568 8.024 8.024 7.620 0.404 18909 5222 1 14 . 1 1 569 569 TYR N N 569 118.409 118.409 120.278 -1.869 18909 5223 1 14 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.801 0.099 18909 5224 1 14 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.246 -0.446 18909 5225 1 14 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.428 -0.163 18909 5226 1 14 . 1 1 569 569 TYR H H 569 7.690 7.690 7.402 0.288 18909 5227 1 14 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.298 0.209 18909 5228 1 14 . 1 1 570 570 PRO C C 570 177.728 177.728 178.147 -0.419 18909 5229 1 14 . 1 1 570 570 PRO CA C 570 62.297 62.297 61.869 0.428 18909 5230 1 14 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.655 0.917 18909 5231 1 14 . 1 1 571 571 VAL N N 571 120.230 120.230 119.711 0.519 18909 5232 1 14 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.687 -0.220 18909 5233 1 14 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.364 0.850 18909 5234 1 14 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.974 0.061 18909 5235 1 14 . 1 1 571 571 VAL H H 571 8.601 8.601 8.552 0.049 18909 5236 1 14 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.806 -0.329 18909 5237 1 14 . 1 1 572 572 ASN C C 572 175.194 175.194 175.066 0.128 18909 5238 1 14 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.356 0.824 18909 5239 1 14 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.483 -1.518 18909 5240 1 14 . 1 1 573 573 THR N N 573 119.345 119.345 118.453 0.892 18909 5241 1 14 . 1 1 573 573 THR HA H 573 4.255 4.255 4.662 -0.407 18909 5242 1 14 . 1 1 573 573 THR CA C 573 62.108 62.108 61.122 0.986 18909 5243 1 14 . 1 1 573 573 THR CB C 573 70.852 70.852 69.077 1.775 18909 5244 1 14 . 1 1 573 573 THR H H 573 7.721 7.721 7.564 0.157 18909 5245 1 14 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.413 -0.127 18909 5246 1 14 . 1 1 574 574 PRO C C 574 176.938 176.938 177.001 -0.063 18909 5247 1 14 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.386 -0.999 18909 5248 1 14 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.983 -0.263 18909 5249 1 14 . 1 1 575 575 GLU N N 575 118.953 118.953 117.379 1.574 18909 5250 1 14 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.489 -0.445 18909 5251 1 14 . 1 1 575 575 GLU C C 575 176.475 176.475 176.962 -0.487 18909 5252 1 14 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.457 1.501 18909 5253 1 14 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.602 -1.281 18909 5254 1 14 . 1 1 575 575 GLU H H 575 9.066 9.066 8.448 0.618 18909 5255 1 14 . 1 1 576 576 ARG N N 576 116.246 116.246 122.324 -6.078 18909 5256 1 14 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.770 -0.817 18909 5257 1 14 . 1 1 576 576 ARG C C 576 177.319 177.319 177.207 0.112 18909 5258 1 14 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.380 0.582 18909 5259 1 14 . 1 1 576 576 ARG CB C 576 31.107 31.107 29.978 1.129 18909 5260 1 14 . 1 1 576 576 ARG H H 576 7.048 7.048 7.402 -0.354 18909 5261 1 14 . 1 1 577 577 TRP N N 577 114.935 114.935 117.801 -2.866 18909 5262 1 14 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.471 -0.405 18909 5263 1 14 . 1 1 577 577 TRP C C 577 177.782 177.782 178.228 -0.446 18909 5264 1 14 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.434 1.256 18909 5265 1 14 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.864 -0.468 18909 5266 1 14 . 1 1 577 577 TRP H H 577 8.238 8.238 8.178 0.060 18909 5267 1 14 . 1 1 578 578 LYS N N 578 122.682 122.682 118.477 4.205 18909 5268 1 14 . 1 1 578 578 LYS HA H 578 3.976 3.976 3.976 -0.000 18909 5269 1 14 . 1 1 578 578 LYS C C 578 178.872 178.872 179.155 -0.283 18909 5270 1 14 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.015 0.776 18909 5271 1 14 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.455 1.259 18909 5272 1 14 . 1 1 578 578 LYS H H 578 7.686 7.686 8.310 -0.624 18909 5273 1 14 . 1 1 579 579 LYS N N 579 118.732 118.732 118.530 0.202 18909 5274 1 14 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.286 -0.685 18909 5275 1 14 . 1 1 579 579 LYS C C 579 179.362 179.362 178.997 0.365 18909 5276 1 14 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.048 0.545 18909 5277 1 14 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.880 -2.311 18909 5278 1 14 . 1 1 579 579 LYS H H 579 7.375 7.375 7.628 -0.253 18909 5279 1 14 . 1 1 580 580 ILE N N 580 120.281 120.281 120.313 -0.032 18909 5280 1 14 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.898 -0.487 18909 5281 1 14 . 1 1 580 580 ILE C C 580 176.747 176.747 177.539 -0.792 18909 5282 1 14 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.842 1.050 18909 5283 1 14 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.807 -0.190 18909 5284 1 14 . 1 1 580 580 ILE H H 580 8.206 8.206 7.776 0.430 18909 5285 1 14 . 1 1 581 581 ALA N N 581 119.004 119.004 122.589 -3.585 18909 5286 1 14 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.250 -0.041 18909 5287 1 14 . 1 1 581 581 ALA C C 581 181.487 181.487 179.076 2.411 18909 5288 1 14 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.024 0.327 18909 5289 1 14 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.297 -1.110 18909 5290 1 14 . 1 1 581 581 ALA H H 581 7.944 7.944 7.670 0.274 18909 5291 1 14 . 1 1 582 582 GLU N N 582 117.557 117.557 118.327 -0.770 18909 5292 1 14 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.101 -0.235 18909 5293 1 14 . 1 1 582 582 GLU C C 582 177.659 177.659 178.601 -0.942 18909 5294 1 14 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.491 0.122 18909 5295 1 14 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.710 -0.487 18909 5296 1 14 . 1 1 582 582 GLU H H 582 7.722 7.722 8.006 -0.284 18909 5297 1 14 . 1 1 583 583 ALA N N 583 120.247 120.247 120.768 -0.521 18909 5298 1 14 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.350 -0.020 18909 5299 1 14 . 1 1 583 583 ALA C C 583 176.311 176.311 177.893 -1.582 18909 5300 1 14 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.878 -1.345 18909 5301 1 14 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.324 -0.910 18909 5302 1 14 . 1 1 583 583 ALA H H 583 7.486 7.486 7.682 -0.196 18909 5303 1 14 . 1 1 584 584 VAL N N 584 120.230 120.230 118.963 1.267 18909 5304 1 14 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.539 -0.117 18909 5305 1 14 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.498 0.832 18909 5306 1 14 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.061 -1.380 18909 5307 1 14 . 1 1 584 584 VAL H H 584 7.486 7.486 7.688 -0.202 18909 5308 1 14 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.876 -0.641 18909 5309 1 14 . 1 1 585 585 PRO C C 585 178.000 178.000 178.582 -0.582 18909 5310 1 14 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.807 1.288 18909 5311 1 14 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.301 -0.635 18909 5312 1 14 . 1 1 586 586 GLY N N 586 111.258 111.258 111.236 0.022 18909 5313 1 14 . 1 1 586 586 GLY C C 586 174.077 174.077 174.529 -0.452 18909 5314 1 14 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.358 -0.141 18909 5315 1 14 . 1 1 586 586 GLY H H 586 8.470 8.470 8.556 -0.086 18909 5316 1 14 . 1 1 587 587 ARG N N 587 118.885 118.885 122.927 -4.042 18909 5317 1 14 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.250 0.638 18909 5318 1 14 . 1 1 587 587 ARG C C 587 175.875 175.875 175.901 -0.026 18909 5319 1 14 . 1 1 587 587 ARG CA C 587 52.327 52.327 55.436 -3.109 18909 5320 1 14 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.051 2.309 18909 5321 1 14 . 1 1 587 587 ARG H H 587 7.588 7.588 7.698 -0.110 18909 5322 1 14 . 1 1 588 588 THR N N 588 111.905 111.905 114.578 -2.673 18909 5323 1 14 . 1 1 588 588 THR HA H 588 4.543 4.543 4.568 -0.025 18909 5324 1 14 . 1 1 588 588 THR C C 588 176.502 176.502 175.253 1.249 18909 5325 1 14 . 1 1 588 588 THR CA C 588 60.335 60.335 60.913 -0.578 18909 5326 1 14 . 1 1 588 588 THR CB C 588 72.376 72.376 70.201 2.175 18909 5327 1 14 . 1 1 588 588 THR H H 588 8.919 8.919 7.916 1.003 18909 5328 1 14 . 1 1 589 589 LYS N N 589 122.529 122.529 122.493 0.036 18909 5329 1 14 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.157 -0.221 18909 5330 1 14 . 1 1 589 589 LYS C C 589 177.945 177.945 178.602 -0.657 18909 5331 1 14 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.527 1.654 18909 5332 1 14 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.865 0.332 18909 5333 1 14 . 1 1 589 589 LYS H H 589 9.076 9.076 8.645 0.431 18909 5334 1 14 . 1 1 590 590 LYS N N 590 118.443 118.443 116.149 2.294 18909 5335 1 14 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.970 -0.101 18909 5336 1 14 . 1 1 590 590 LYS C C 590 178.888 178.888 178.182 0.706 18909 5337 1 14 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.172 0.647 18909 5338 1 14 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.781 0.579 18909 5339 1 14 . 1 1 590 590 LYS H H 590 8.199 8.199 8.298 -0.099 18909 5340 1 14 . 1 1 591 591 ASP N N 591 120.281 120.281 121.044 -0.763 18909 5341 1 14 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.718 -0.377 18909 5342 1 14 . 1 1 591 591 ASP C C 591 179.771 179.771 178.620 1.151 18909 5343 1 14 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.438 -0.180 18909 5344 1 14 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.746 1.012 18909 5345 1 14 . 1 1 591 591 ASP H H 591 7.806 7.806 7.920 -0.114 18909 5346 1 14 . 1 1 592 592 CYS N N 592 118.153 118.153 119.666 -1.513 18909 5347 1 14 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.425 -0.109 18909 5348 1 14 . 1 1 592 592 CYS C C 592 175.773 175.773 176.606 -0.833 18909 5349 1 14 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.158 1.781 18909 5350 1 14 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.371 -0.323 18909 5351 1 14 . 1 1 592 592 CYS H H 592 8.551 8.551 7.994 0.557 18909 5352 1 14 . 1 1 593 593 MET N N 593 119.107 119.107 119.280 -0.173 18909 5353 1 14 . 1 1 593 593 MET HA H 593 3.011 3.011 3.479 -0.468 18909 5354 1 14 . 1 1 593 593 MET C C 593 178.256 178.256 178.233 0.023 18909 5355 1 14 . 1 1 593 593 MET CA C 593 59.546 59.546 59.167 0.379 18909 5356 1 14 . 1 1 593 593 MET CB C 593 33.099 33.099 31.816 1.283 18909 5357 1 14 . 1 1 593 593 MET H H 593 8.226 8.226 8.219 0.007 18909 5358 1 14 . 1 1 594 594 LYS N N 594 120.230 120.230 119.555 0.675 18909 5359 1 14 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.937 -0.056 18909 5360 1 14 . 1 1 594 594 LYS C C 594 178.396 178.396 178.917 -0.521 18909 5361 1 14 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.604 -0.249 18909 5362 1 14 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.246 0.274 18909 5363 1 14 . 1 1 594 594 LYS H H 594 7.947 7.947 8.057 -0.110 18909 5364 1 14 . 1 1 595 595 ARG N N 595 119.498 119.498 118.912 0.586 18909 5365 1 14 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.974 -0.111 18909 5366 1 14 . 1 1 595 595 ARG C C 595 177.728 177.728 178.385 -0.657 18909 5367 1 14 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.226 -1.268 18909 5368 1 14 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.302 0.130 18909 5369 1 14 . 1 1 595 595 ARG H H 595 7.964 7.964 7.868 0.096 18909 5370 1 14 . 1 1 596 596 TYR N N 596 118.375 118.375 120.598 -2.223 18909 5371 1 14 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.217 -0.140 18909 5372 1 14 . 1 1 596 596 TYR C C 596 176.072 176.072 177.314 -1.242 18909 5373 1 14 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.650 0.569 18909 5374 1 14 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.473 0.724 18909 5375 1 14 . 1 1 596 596 TYR H H 596 8.161 8.161 8.202 -0.041 18909 5376 1 14 . 1 1 597 597 LYS N N 597 117.932 117.932 119.779 -1.847 18909 5377 1 14 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.760 -0.177 18909 5378 1 14 . 1 1 597 597 LYS C C 597 178.941 178.941 178.591 0.350 18909 5379 1 14 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.267 0.275 18909 5380 1 14 . 1 1 597 597 LYS CB C 597 32.002 32.002 31.881 0.121 18909 5381 1 14 . 1 1 597 597 LYS H H 597 7.709 7.709 7.901 -0.192 18909 5382 1 14 . 1 1 598 598 GLU N N 598 118.153 118.153 119.309 -1.156 18909 5383 1 14 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.997 -0.130 18909 5384 1 14 . 1 1 598 598 GLU C C 598 179.389 179.389 179.150 0.239 18909 5385 1 14 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.066 -0.092 18909 5386 1 14 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.126 0.279 18909 5387 1 14 . 1 1 598 598 GLU H H 598 7.709 7.709 7.870 -0.161 18909 5388 1 14 . 1 1 599 599 LEU N N 599 121.286 121.286 119.935 1.351 18909 5389 1 14 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.993 -0.010 18909 5390 1 14 . 1 1 599 599 LEU C C 599 179.658 179.658 179.134 0.524 18909 5391 1 14 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.887 -0.112 18909 5392 1 14 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.659 -0.309 18909 5393 1 14 . 1 1 599 599 LEU H H 599 8.044 8.044 7.900 0.144 18909 5394 1 14 . 1 1 600 600 VAL N N 600 119.583 119.583 118.678 0.905 18909 5395 1 14 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.440 0.046 18909 5396 1 14 . 1 1 600 600 VAL C C 600 178.899 178.899 177.705 1.194 18909 5397 1 14 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.202 -0.146 18909 5398 1 14 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.488 0.082 18909 5399 1 14 . 1 1 600 600 VAL H H 600 7.998 7.998 7.890 0.108 18909 5400 1 14 . 1 1 601 601 GLU N N 601 119.073 119.073 119.575 -0.502 18909 5401 1 14 . 1 1 601 601 GLU HA H 601 3.935 3.935 3.919 0.016 18909 5402 1 14 . 1 1 601 601 GLU C C 601 178.931 178.931 179.229 -0.298 18909 5403 1 14 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.480 -0.833 18909 5404 1 14 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.304 -0.267 18909 5405 1 14 . 1 1 601 601 GLU H H 601 7.795 7.795 7.840 -0.045 18909 5406 1 14 . 1 1 602 602 MET N N 602 119.771 119.771 117.998 1.773 18909 5407 1 14 . 1 1 602 602 MET HA H 602 4.153 4.153 4.141 0.011 18909 5408 1 14 . 1 1 602 602 MET C C 602 178.353 178.353 178.831 -0.478 18909 5409 1 14 . 1 1 602 602 MET CA C 602 58.484 58.484 59.398 -0.914 18909 5410 1 14 . 1 1 602 602 MET CB C 602 32.433 32.433 32.874 -0.441 18909 5411 1 14 . 1 1 602 602 MET H H 602 7.910 7.910 7.954 -0.044 18909 5412 1 14 . 1 1 603 603 VAL N N 603 120.332 120.332 116.338 3.994 18909 5413 1 14 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.627 0.054 18909 5414 1 14 . 1 1 603 603 VAL C C 603 178.203 178.203 177.499 0.704 18909 5415 1 14 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.420 -0.832 18909 5416 1 14 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.386 0.379 18909 5417 1 14 . 1 1 603 603 VAL H H 603 7.792 7.792 8.055 -0.263 18909 5418 1 14 . 1 1 604 604 LYS N N 604 121.047 121.047 119.266 1.781 18909 5419 1 14 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.180 -0.209 18909 5420 1 14 . 1 1 604 604 LYS CA C 604 58.867 58.867 58.744 0.123 18909 5421 1 14 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.120 0.624 18909 5422 1 14 . 1 1 604 604 LYS H H 604 7.855 7.855 7.797 0.058 18909 5423 1 14 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.105 0.062 18909 5424 1 14 . 1 1 605 605 ALA C C 605 179.644 179.644 179.548 0.096 18909 5425 1 14 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.049 -0.978 18909 5426 1 14 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.161 0.225 18909 5427 1 14 . 1 1 606 606 LYS N N 606 120.077 120.077 118.819 1.258 18909 5428 1 14 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.930 0.162 18909 5429 1 14 . 1 1 606 606 LYS C C 606 178.218 178.218 178.702 -0.484 18909 5430 1 14 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.791 -1.798 18909 5431 1 14 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.323 0.010 18909 5432 1 14 . 1 1 606 606 LYS H H 606 7.967 7.967 7.974 -0.007 18909 5433 1 14 . 1 1 607 607 LYS N N 607 120.979 120.979 119.408 1.571 18909 5434 1 14 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.031 0.074 18909 5435 1 14 . 1 1 607 607 LYS C C 607 177.864 177.864 178.712 -0.848 18909 5436 1 14 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.411 -1.418 18909 5437 1 14 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.419 0.077 18909 5438 1 14 . 1 1 607 607 LYS H H 607 8.013 8.013 7.791 0.222 18909 5439 1 14 . 1 1 608 608 ALA N N 608 122.801 122.801 121.530 1.271 18909 5440 1 14 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.018 0.142 18909 5441 1 14 . 1 1 608 608 ALA C C 608 179.035 179.035 179.269 -0.234 18909 5442 1 14 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.037 -1.293 18909 5443 1 14 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.223 0.217 18909 5444 1 14 . 1 1 608 608 ALA H H 608 8.034 8.034 7.756 0.278 18909 5445 1 14 . 1 1 609 609 ALA N N 609 121.524 121.524 120.836 0.688 18909 5446 1 14 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.942 0.252 18909 5447 1 14 . 1 1 609 609 ALA C C 609 179.062 179.062 179.573 -0.511 18909 5448 1 14 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.931 -1.296 18909 5449 1 14 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.072 0.423 18909 5450 1 14 . 1 1 609 609 ALA H H 609 7.930 7.930 7.785 0.145 18909 5451 1 14 . 1 1 610 610 GLN N N 610 118.289 118.289 118.837 -0.548 18909 5452 1 14 . 1 1 610 610 GLN HA H 610 4.149 4.149 3.939 0.210 18909 5453 1 14 . 1 1 610 610 GLN C C 610 177.230 177.230 178.105 -0.875 18909 5454 1 14 . 1 1 610 610 GLN CA C 610 57.040 57.040 59.212 -2.172 18909 5455 1 14 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.577 0.351 18909 5456 1 14 . 1 1 610 610 GLN H H 610 7.996 7.996 8.178 -0.182 18909 5457 1 14 . 1 1 611 611 GLU N N 611 120.690 120.690 118.979 1.711 18909 5458 1 14 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.052 0.046 18909 5459 1 14 . 1 1 611 611 GLU C C 611 177.237 177.237 179.233 -1.996 18909 5460 1 14 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.520 -1.745 18909 5461 1 14 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.556 0.298 18909 5462 1 14 . 1 1 611 611 GLU H H 611 8.156 8.156 7.982 0.174 18909 5463 1 14 . 1 1 612 612 GLN N N 612 119.771 119.771 117.981 1.790 18909 5464 1 14 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.203 -0.017 18909 5465 1 14 . 1 1 612 612 GLN C C 612 176.949 176.949 178.957 -2.008 18909 5466 1 14 . 1 1 612 612 GLN CA C 612 56.945 56.945 57.549 -0.604 18909 5467 1 14 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.475 0.412 18909 5468 1 14 . 1 1 612 612 GLN H H 612 8.041 8.041 7.821 0.220 18909 5469 1 14 . 1 1 613 613 VAL N N 613 120.724 120.724 121.835 -1.111 18909 5470 1 14 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.738 0.163 18909 5471 1 14 . 1 1 613 613 VAL C C 613 177.118 177.118 177.859 -0.741 18909 5472 1 14 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.005 -2.291 18909 5473 1 14 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.203 0.948 18909 5474 1 14 . 1 1 613 613 VAL H H 613 7.857 7.857 8.243 -0.386 18909 5475 1 14 . 1 1 614 614 LEU N N 614 124.095 124.095 119.776 4.319 18909 5476 1 14 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.875 0.326 18909 5477 1 14 . 1 1 614 614 LEU C C 614 177.918 177.918 179.229 -1.311 18909 5478 1 14 . 1 1 614 614 LEU CA C 614 56.032 56.032 58.060 -2.028 18909 5479 1 14 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.109 0.975 18909 5480 1 14 . 1 1 614 614 LEU H H 614 8.105 8.105 7.990 0.115 18909 5481 1 14 . 1 1 615 615 ASN N N 615 118.783 118.783 117.894 0.889 18909 5482 1 14 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.476 0.072 18909 5483 1 14 . 1 1 615 615 ASN C C 615 175.745 175.745 177.190 -1.445 18909 5484 1 14 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.103 -1.978 18909 5485 1 14 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.231 0.356 18909 5486 1 14 . 1 1 615 615 ASN H H 615 8.282 8.282 8.356 -0.074 18909 5487 1 14 . 1 1 616 616 ALA N N 616 123.857 123.857 121.418 2.439 18909 5488 1 14 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.101 0.122 18909 5489 1 14 . 1 1 616 616 ALA C C 616 178.327 178.327 179.222 -0.895 18909 5490 1 14 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.511 -1.231 18909 5491 1 14 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.470 0.406 18909 5492 1 14 . 1 1 616 616 ALA H H 616 8.098 8.098 7.781 0.317 18909 5493 1 14 . 1 1 617 617 SER N N 617 114.101 114.101 112.749 1.352 18909 5494 1 14 . 1 1 617 617 SER HA H 617 4.337 4.337 4.234 0.103 18909 5495 1 14 . 1 1 617 617 SER C C 617 178.463 178.463 176.265 2.198 18909 5496 1 14 . 1 1 617 617 SER CA C 617 58.865 58.865 61.038 -2.172 18909 5497 1 14 . 1 1 617 617 SER CB C 617 63.659 63.659 63.434 0.225 18909 5498 1 14 . 1 1 617 617 SER H H 617 8.098 8.098 7.878 0.220 18909 5499 1 14 . 1 1 618 618 ARG N N 618 122.410 122.410 119.423 2.987 18909 5500 1 14 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.289 -0.022 18909 5501 1 14 . 1 1 618 618 ARG C C 618 175.902 175.902 176.287 -0.385 18909 5502 1 14 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.516 -0.320 18909 5503 1 14 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.826 -0.222 18909 5504 1 14 . 1 1 618 618 ARG H H 618 8.012 8.012 7.529 0.483 18909 5505 1 14 . 1 1 619 619 ALA N N 619 124.555 124.555 123.007 1.548 18909 5506 1 14 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.276 -0.048 18909 5507 1 14 . 1 1 619 619 ALA C C 619 177.455 177.455 176.552 0.903 18909 5508 1 14 . 1 1 619 619 ALA CA C 619 52.491 52.491 51.776 0.715 18909 5509 1 14 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.817 -0.614 18909 5510 1 14 . 1 1 619 619 ALA H H 619 8.039 8.039 7.495 0.544 18909 5511 1 14 . 1 1 620 620 LYS N N 620 121.286 121.286 122.812 -1.526 18909 5512 1 14 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.380 -0.147 18909 5513 1 14 . 1 1 620 620 LYS C C 620 175.548 175.548 176.381 -0.833 18909 5514 1 14 . 1 1 620 620 LYS CA C 620 56.304 56.304 56.009 0.295 18909 5515 1 14 . 1 1 620 620 LYS CB C 620 32.974 32.974 33.140 -0.166 18909 5516 1 14 . 1 1 620 620 LYS H H 620 8.139 8.139 8.282 -0.143 18909 5517 1 15 . 1 1 552 552 THR N N 552 120.945 120.945 116.742 4.203 18909 5518 1 15 . 1 1 552 552 THR HA H 552 4.505 4.505 4.406 0.099 18909 5519 1 15 . 1 1 552 552 THR CA C 552 59.439 59.439 61.052 -1.613 18909 5520 1 15 . 1 1 552 552 THR CB C 552 69.599 69.599 69.221 0.378 18909 5521 1 15 . 1 1 552 552 THR H H 552 8.265 8.265 8.237 0.028 18909 5522 1 15 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.460 0.025 18909 5523 1 15 . 1 1 553 553 PRO C C 553 176.938 176.938 176.747 0.191 18909 5524 1 15 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.401 0.713 18909 5525 1 15 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.686 -0.502 18909 5526 1 15 . 1 1 554 554 TRP N N 554 124.095 124.095 120.085 4.010 18909 5527 1 15 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.676 -0.335 18909 5528 1 15 . 1 1 554 554 TRP C C 554 178.191 178.191 177.245 0.946 18909 5529 1 15 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.779 0.705 18909 5530 1 15 . 1 1 554 554 TRP CB C 554 28.356 28.356 29.123 -0.767 18909 5531 1 15 . 1 1 554 554 TRP H H 554 8.989 8.989 8.541 0.448 18909 5532 1 15 . 1 1 555 555 THR N N 555 115.804 115.804 117.729 -1.925 18909 5533 1 15 . 1 1 555 555 THR HA H 555 4.653 4.653 4.532 0.121 18909 5534 1 15 . 1 1 555 555 THR C C 555 176.011 176.011 175.898 0.113 18909 5535 1 15 . 1 1 555 555 THR CA C 555 60.145 60.145 61.022 -0.877 18909 5536 1 15 . 1 1 555 555 THR CB C 555 71.749 71.749 70.481 1.268 18909 5537 1 15 . 1 1 555 555 THR H H 555 8.800 8.800 8.079 0.721 18909 5538 1 15 . 1 1 556 556 THR N N 556 116.791 116.791 116.643 0.148 18909 5539 1 15 . 1 1 556 556 THR HA H 556 3.934 3.934 4.092 -0.158 18909 5540 1 15 . 1 1 556 556 THR C C 556 176.992 176.992 176.387 0.605 18909 5541 1 15 . 1 1 556 556 THR CA C 556 66.329 66.329 66.431 -0.102 18909 5542 1 15 . 1 1 556 556 THR CB C 556 68.616 68.616 68.479 0.137 18909 5543 1 15 . 1 1 556 556 THR H H 556 8.866 8.866 8.633 0.233 18909 5544 1 15 . 1 1 557 557 GLU N N 557 121.303 121.303 120.868 0.435 18909 5545 1 15 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.175 -0.169 18909 5546 1 15 . 1 1 557 557 GLU C C 557 179.310 179.310 178.913 0.397 18909 5547 1 15 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.500 0.726 18909 5548 1 15 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.546 0.609 18909 5549 1 15 . 1 1 557 557 GLU H H 557 8.538 8.538 8.735 -0.197 18909 5550 1 15 . 1 1 558 558 GLU N N 558 119.737 119.737 119.640 0.097 18909 5551 1 15 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.222 -0.307 18909 5552 1 15 . 1 1 558 558 GLU C C 558 178.844 178.844 179.571 -0.727 18909 5553 1 15 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.159 0.850 18909 5554 1 15 . 1 1 558 558 GLU CB C 558 31.434 31.434 28.981 2.453 18909 5555 1 15 . 1 1 558 558 GLU H H 558 7.831 7.831 7.809 0.022 18909 5556 1 15 . 1 1 559 559 GLN N N 559 119.328 119.328 118.420 0.908 18909 5557 1 15 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.370 -0.253 18909 5558 1 15 . 1 1 559 559 GLN C C 559 178.155 178.155 178.447 -0.292 18909 5559 1 15 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.487 0.868 18909 5560 1 15 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.761 -0.776 18909 5561 1 15 . 1 1 559 559 GLN H H 559 8.608 8.608 8.407 0.201 18909 5562 1 15 . 1 1 560 560 LYS N N 560 119.311 119.311 120.704 -1.393 18909 5563 1 15 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.224 -0.119 18909 5564 1 15 . 1 1 560 560 LYS C C 560 179.880 179.880 179.153 0.727 18909 5565 1 15 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.223 0.514 18909 5566 1 15 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.079 -0.018 18909 5567 1 15 . 1 1 560 560 LYS H H 560 8.000 8.000 8.021 -0.021 18909 5568 1 15 . 1 1 561 561 LEU N N 561 120.026 120.026 120.451 -0.425 18909 5569 1 15 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.176 -0.050 18909 5570 1 15 . 1 1 561 561 LEU C C 561 180.452 180.452 179.215 1.237 18909 5571 1 15 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.442 0.878 18909 5572 1 15 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.920 -0.108 18909 5573 1 15 . 1 1 561 561 LEU H H 561 7.814 7.814 7.988 -0.174 18909 5574 1 15 . 1 1 562 562 LEU N N 562 122.427 122.427 121.222 1.205 18909 5575 1 15 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.109 -0.113 18909 5576 1 15 . 1 1 562 562 LEU C C 562 177.428 177.428 178.276 -0.848 18909 5577 1 15 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.495 -0.066 18909 5578 1 15 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.727 0.140 18909 5579 1 15 . 1 1 562 562 LEU H H 562 8.374 8.374 8.201 0.173 18909 5580 1 15 . 1 1 563 563 GLU N N 563 117.574 117.574 118.044 -0.470 18909 5581 1 15 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.903 -0.064 18909 5582 1 15 . 1 1 563 563 GLU C C 563 179.907 179.907 179.201 0.706 18909 5583 1 15 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.694 0.451 18909 5584 1 15 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.279 0.126 18909 5585 1 15 . 1 1 563 563 GLU H H 563 8.541 8.541 8.095 0.446 18909 5586 1 15 . 1 1 564 564 GLN N N 564 117.659 117.659 119.060 -1.401 18909 5587 1 15 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.052 -0.049 18909 5588 1 15 . 1 1 564 564 GLN C C 564 178.490 178.490 178.108 0.382 18909 5589 1 15 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.866 -0.491 18909 5590 1 15 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.662 -0.155 18909 5591 1 15 . 1 1 564 564 GLN H H 564 8.098 8.098 7.921 0.177 18909 5592 1 15 . 1 1 565 565 ALA N N 565 125.117 125.117 122.046 3.071 18909 5593 1 15 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.995 0.098 18909 5594 1 15 . 1 1 565 565 ALA C C 565 178.681 178.681 180.058 -1.377 18909 5595 1 15 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.785 0.539 18909 5596 1 15 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.325 0.988 18909 5597 1 15 . 1 1 565 565 ALA H H 565 8.270 8.270 7.747 0.523 18909 5598 1 15 . 1 1 566 566 LEU N N 566 117.217 117.217 117.200 0.017 18909 5599 1 15 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.850 -0.269 18909 5600 1 15 . 1 1 566 566 LEU C C 566 178.409 178.409 179.311 -0.902 18909 5601 1 15 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.337 0.221 18909 5602 1 15 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.559 0.485 18909 5603 1 15 . 1 1 566 566 LEU H H 566 8.170 8.170 8.379 -0.209 18909 5604 1 15 . 1 1 567 567 LYS N N 567 115.429 115.429 118.077 -2.648 18909 5605 1 15 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.221 -0.293 18909 5606 1 15 . 1 1 567 567 LYS C C 567 177.809 177.809 178.049 -0.240 18909 5607 1 15 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.381 -0.715 18909 5608 1 15 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.620 0.094 18909 5609 1 15 . 1 1 567 567 LYS H H 567 6.960 6.960 7.617 -0.657 18909 5610 1 15 . 1 1 568 568 THR N N 568 117.847 117.847 114.130 3.717 18909 5611 1 15 . 1 1 568 568 THR HA H 568 3.468 3.468 3.959 -0.491 18909 5612 1 15 . 1 1 568 568 THR C C 568 173.447 173.447 174.877 -1.430 18909 5613 1 15 . 1 1 568 568 THR CA C 568 65.620 65.620 64.772 0.848 18909 5614 1 15 . 1 1 568 568 THR CB C 568 69.080 69.080 69.032 0.048 18909 5615 1 15 . 1 1 568 568 THR H H 568 8.024 8.024 7.712 0.312 18909 5616 1 15 . 1 1 569 569 TYR N N 569 118.409 118.409 121.320 -2.911 18909 5617 1 15 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.805 0.095 18909 5618 1 15 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.738 -0.938 18909 5619 1 15 . 1 1 569 569 TYR CB C 569 37.265 37.265 38.182 -0.917 18909 5620 1 15 . 1 1 569 569 TYR H H 569 7.690 7.690 7.526 0.164 18909 5621 1 15 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.450 0.057 18909 5622 1 15 . 1 1 570 570 PRO C C 570 177.728 177.728 177.997 -0.269 18909 5623 1 15 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.213 0.084 18909 5624 1 15 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.155 0.417 18909 5625 1 15 . 1 1 571 571 VAL N N 571 120.230 120.230 121.742 -1.512 18909 5626 1 15 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.550 -0.083 18909 5627 1 15 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.237 0.977 18909 5628 1 15 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.245 -0.210 18909 5629 1 15 . 1 1 571 571 VAL H H 571 8.601 8.601 8.405 0.196 18909 5630 1 15 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.599 -0.122 18909 5631 1 15 . 1 1 572 572 ASN C C 572 175.194 175.194 175.631 -0.437 18909 5632 1 15 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.497 -0.317 18909 5633 1 15 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.289 -1.325 18909 5634 1 15 . 1 1 573 573 THR N N 573 119.345 119.345 117.714 1.631 18909 5635 1 15 . 1 1 573 573 THR HA H 573 4.255 4.255 4.438 -0.183 18909 5636 1 15 . 1 1 573 573 THR CA C 573 62.108 62.108 60.836 1.272 18909 5637 1 15 . 1 1 573 573 THR CB C 573 70.852 70.852 69.322 1.530 18909 5638 1 15 . 1 1 573 573 THR H H 573 7.721 7.721 7.446 0.275 18909 5639 1 15 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.358 -0.072 18909 5640 1 15 . 1 1 574 574 PRO C C 574 176.938 176.938 176.903 0.035 18909 5641 1 15 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.536 -1.149 18909 5642 1 15 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.970 -0.250 18909 5643 1 15 . 1 1 575 575 GLU N N 575 118.953 118.953 118.110 0.843 18909 5644 1 15 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.473 -0.429 18909 5645 1 15 . 1 1 575 575 GLU C C 575 176.475 176.475 177.120 -0.645 18909 5646 1 15 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.338 1.620 18909 5647 1 15 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.332 -1.011 18909 5648 1 15 . 1 1 575 575 GLU H H 575 9.066 9.066 8.439 0.627 18909 5649 1 15 . 1 1 576 576 ARG N N 576 116.246 116.246 121.346 -5.100 18909 5650 1 15 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.879 -0.926 18909 5651 1 15 . 1 1 576 576 ARG C C 576 177.319 177.319 177.269 0.050 18909 5652 1 15 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.099 0.863 18909 5653 1 15 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.037 1.070 18909 5654 1 15 . 1 1 576 576 ARG H H 576 7.048 7.048 7.403 -0.355 18909 5655 1 15 . 1 1 577 577 TRP N N 577 114.935 114.935 117.428 -2.493 18909 5656 1 15 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.467 -0.401 18909 5657 1 15 . 1 1 577 577 TRP C C 577 177.782 177.782 178.034 -0.252 18909 5658 1 15 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.083 1.607 18909 5659 1 15 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.827 -0.431 18909 5660 1 15 . 1 1 577 577 TRP H H 577 8.238 8.238 8.248 -0.010 18909 5661 1 15 . 1 1 578 578 LYS N N 578 122.682 122.682 119.750 2.932 18909 5662 1 15 . 1 1 578 578 LYS HA H 578 3.976 3.976 3.986 -0.010 18909 5663 1 15 . 1 1 578 578 LYS C C 578 178.872 178.872 178.616 0.256 18909 5664 1 15 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.401 0.390 18909 5665 1 15 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.560 1.154 18909 5666 1 15 . 1 1 578 578 LYS H H 578 7.686 7.686 8.220 -0.534 18909 5667 1 15 . 1 1 579 579 LYS N N 579 118.732 118.732 119.084 -0.352 18909 5668 1 15 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.114 -0.513 18909 5669 1 15 . 1 1 579 579 LYS C C 579 179.362 179.362 178.538 0.824 18909 5670 1 15 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.190 0.403 18909 5671 1 15 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.893 -2.324 18909 5672 1 15 . 1 1 579 579 LYS H H 579 7.375 7.375 7.653 -0.278 18909 5673 1 15 . 1 1 580 580 ILE N N 580 120.281 120.281 119.895 0.386 18909 5674 1 15 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.820 -0.409 18909 5675 1 15 . 1 1 580 580 ILE C C 580 176.747 176.747 177.443 -0.696 18909 5676 1 15 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.523 1.369 18909 5677 1 15 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.760 -0.143 18909 5678 1 15 . 1 1 580 580 ILE H H 580 8.206 8.206 7.311 0.895 18909 5679 1 15 . 1 1 581 581 ALA N N 581 119.004 119.004 122.560 -3.556 18909 5680 1 15 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.058 0.151 18909 5681 1 15 . 1 1 581 581 ALA C C 581 181.487 181.487 178.371 3.116 18909 5682 1 15 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.110 0.241 18909 5683 1 15 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.363 -1.176 18909 5684 1 15 . 1 1 581 581 ALA H H 581 7.944 7.944 7.719 0.225 18909 5685 1 15 . 1 1 582 582 GLU N N 582 117.557 117.557 117.678 -0.121 18909 5686 1 15 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.083 -0.217 18909 5687 1 15 . 1 1 582 582 GLU C C 582 177.659 177.659 178.192 -0.533 18909 5688 1 15 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.403 0.210 18909 5689 1 15 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.509 -0.286 18909 5690 1 15 . 1 1 582 582 GLU H H 582 7.722 7.722 7.666 0.056 18909 5691 1 15 . 1 1 583 583 ALA N N 583 120.247 120.247 120.592 -0.345 18909 5692 1 15 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.279 0.051 18909 5693 1 15 . 1 1 583 583 ALA C C 583 176.311 176.311 177.872 -1.561 18909 5694 1 15 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.700 -1.167 18909 5695 1 15 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.071 -0.657 18909 5696 1 15 . 1 1 583 583 ALA H H 583 7.486 7.486 7.469 0.017 18909 5697 1 15 . 1 1 584 584 VAL N N 584 120.230 120.230 119.166 1.064 18909 5698 1 15 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.577 -0.155 18909 5699 1 15 . 1 1 584 584 VAL CA C 584 59.330 59.330 59.315 0.015 18909 5700 1 15 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.072 -1.391 18909 5701 1 15 . 1 1 584 584 VAL H H 584 7.486 7.486 7.803 -0.317 18909 5702 1 15 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.726 -0.491 18909 5703 1 15 . 1 1 585 585 PRO C C 585 178.000 178.000 178.227 -0.227 18909 5704 1 15 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.432 1.663 18909 5705 1 15 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.752 -1.085 18909 5706 1 15 . 1 1 586 586 GLY N N 586 111.258 111.258 109.166 2.092 18909 5707 1 15 . 1 1 586 586 GLY C C 586 174.077 174.077 174.385 -0.308 18909 5708 1 15 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.718 -0.500 18909 5709 1 15 . 1 1 586 586 GLY H H 586 8.470 8.470 8.536 -0.066 18909 5710 1 15 . 1 1 587 587 ARG N N 587 118.885 118.885 123.238 -4.353 18909 5711 1 15 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.547 0.341 18909 5712 1 15 . 1 1 587 587 ARG C C 587 175.875 175.875 176.074 -0.199 18909 5713 1 15 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.499 -1.172 18909 5714 1 15 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.487 1.873 18909 5715 1 15 . 1 1 587 587 ARG H H 587 7.588 7.588 7.677 -0.089 18909 5716 1 15 . 1 1 588 588 THR N N 588 111.905 111.905 115.997 -4.092 18909 5717 1 15 . 1 1 588 588 THR HA H 588 4.543 4.543 4.477 0.066 18909 5718 1 15 . 1 1 588 588 THR C C 588 176.502 176.502 175.599 0.903 18909 5719 1 15 . 1 1 588 588 THR CA C 588 60.335 60.335 60.983 -0.648 18909 5720 1 15 . 1 1 588 588 THR CB C 588 72.376 72.376 70.158 2.218 18909 5721 1 15 . 1 1 588 588 THR H H 588 8.919 8.919 8.297 0.622 18909 5722 1 15 . 1 1 589 589 LYS N N 589 122.529 122.529 120.446 2.083 18909 5723 1 15 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.160 -0.224 18909 5724 1 15 . 1 1 589 589 LYS C C 589 177.945 177.945 178.638 -0.693 18909 5725 1 15 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.274 1.907 18909 5726 1 15 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.675 0.521 18909 5727 1 15 . 1 1 589 589 LYS H H 589 9.076 9.076 8.706 0.370 18909 5728 1 15 . 1 1 590 590 LYS N N 590 118.443 118.443 117.162 1.281 18909 5729 1 15 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.973 -0.104 18909 5730 1 15 . 1 1 590 590 LYS C C 590 178.888 178.888 177.965 0.923 18909 5731 1 15 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.357 0.462 18909 5732 1 15 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.736 0.624 18909 5733 1 15 . 1 1 590 590 LYS H H 590 8.199 8.199 8.265 -0.066 18909 5734 1 15 . 1 1 591 591 ASP N N 591 120.281 120.281 121.148 -0.867 18909 5735 1 15 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.641 -0.300 18909 5736 1 15 . 1 1 591 591 ASP C C 591 179.771 179.771 178.601 1.170 18909 5737 1 15 . 1 1 591 591 ASP CA C 591 57.258 57.258 58.388 -1.130 18909 5738 1 15 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.777 0.981 18909 5739 1 15 . 1 1 591 591 ASP H H 591 7.806 7.806 7.875 -0.069 18909 5740 1 15 . 1 1 592 592 CYS N N 592 118.153 118.153 118.941 -0.788 18909 5741 1 15 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.376 -0.060 18909 5742 1 15 . 1 1 592 592 CYS C C 592 175.773 175.773 176.625 -0.852 18909 5743 1 15 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.408 1.531 18909 5744 1 15 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.433 -0.385 18909 5745 1 15 . 1 1 592 592 CYS H H 592 8.551 8.551 8.094 0.457 18909 5746 1 15 . 1 1 593 593 MET N N 593 119.107 119.107 119.123 -0.016 18909 5747 1 15 . 1 1 593 593 MET HA H 593 3.011 3.011 3.691 -0.680 18909 5748 1 15 . 1 1 593 593 MET C C 593 178.256 178.256 177.932 0.324 18909 5749 1 15 . 1 1 593 593 MET CA C 593 59.546 59.546 58.906 0.640 18909 5750 1 15 . 1 1 593 593 MET CB C 593 33.099 33.099 32.015 1.084 18909 5751 1 15 . 1 1 593 593 MET H H 593 8.226 8.226 8.100 0.126 18909 5752 1 15 . 1 1 594 594 LYS N N 594 120.230 120.230 120.591 -0.361 18909 5753 1 15 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.922 -0.041 18909 5754 1 15 . 1 1 594 594 LYS C C 594 178.396 178.396 178.840 -0.444 18909 5755 1 15 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.924 -0.569 18909 5756 1 15 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.463 0.057 18909 5757 1 15 . 1 1 594 594 LYS H H 594 7.947 7.947 8.041 -0.094 18909 5758 1 15 . 1 1 595 595 ARG N N 595 119.498 119.498 118.483 1.015 18909 5759 1 15 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.180 -0.317 18909 5760 1 15 . 1 1 595 595 ARG C C 595 177.728 177.728 178.478 -0.750 18909 5761 1 15 . 1 1 595 595 ARG CA C 595 56.958 56.958 57.591 -0.633 18909 5762 1 15 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.008 0.424 18909 5763 1 15 . 1 1 595 595 ARG H H 595 7.964 7.964 7.846 0.118 18909 5764 1 15 . 1 1 596 596 TYR N N 596 118.375 118.375 120.701 -2.326 18909 5765 1 15 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.128 -0.051 18909 5766 1 15 . 1 1 596 596 TYR C C 596 176.072 176.072 177.198 -1.126 18909 5767 1 15 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.190 0.029 18909 5768 1 15 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.529 0.668 18909 5769 1 15 . 1 1 596 596 TYR H H 596 8.161 8.161 8.093 0.068 18909 5770 1 15 . 1 1 597 597 LYS N N 597 117.932 117.932 119.704 -1.772 18909 5771 1 15 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.667 -0.084 18909 5772 1 15 . 1 1 597 597 LYS C C 597 178.941 178.941 178.591 0.350 18909 5773 1 15 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.941 -0.399 18909 5774 1 15 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.190 -0.188 18909 5775 1 15 . 1 1 597 597 LYS H H 597 7.709 7.709 7.953 -0.244 18909 5776 1 15 . 1 1 598 598 GLU N N 598 118.153 118.153 119.213 -1.060 18909 5777 1 15 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.951 -0.084 18909 5778 1 15 . 1 1 598 598 GLU C C 598 179.389 179.389 179.293 0.096 18909 5779 1 15 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.234 -0.260 18909 5780 1 15 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.397 0.008 18909 5781 1 15 . 1 1 598 598 GLU H H 598 7.709 7.709 7.722 -0.013 18909 5782 1 15 . 1 1 599 599 LEU N N 599 121.286 121.286 119.458 1.828 18909 5783 1 15 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.986 -0.003 18909 5784 1 15 . 1 1 599 599 LEU C C 599 179.658 179.658 178.971 0.687 18909 5785 1 15 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.703 0.072 18909 5786 1 15 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.801 -0.451 18909 5787 1 15 . 1 1 599 599 LEU H H 599 8.044 8.044 7.768 0.276 18909 5788 1 15 . 1 1 600 600 VAL N N 600 119.583 119.583 118.742 0.841 18909 5789 1 15 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.489 -0.003 18909 5790 1 15 . 1 1 600 600 VAL C C 600 178.899 178.899 178.335 0.564 18909 5791 1 15 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.398 -0.342 18909 5792 1 15 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.157 0.413 18909 5793 1 15 . 1 1 600 600 VAL H H 600 7.998 7.998 7.639 0.359 18909 5794 1 15 . 1 1 601 601 GLU N N 601 119.073 119.073 119.620 -0.547 18909 5795 1 15 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.076 -0.141 18909 5796 1 15 . 1 1 601 601 GLU C C 601 178.931 178.931 179.135 -0.204 18909 5797 1 15 . 1 1 601 601 GLU CA C 601 58.647 58.647 58.942 -0.295 18909 5798 1 15 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.090 -0.053 18909 5799 1 15 . 1 1 601 601 GLU H H 601 7.795 7.795 8.238 -0.443 18909 5800 1 15 . 1 1 602 602 MET N N 602 119.771 119.771 117.973 1.798 18909 5801 1 15 . 1 1 602 602 MET HA H 602 4.153 4.153 4.221 -0.069 18909 5802 1 15 . 1 1 602 602 MET C C 602 178.353 178.353 178.635 -0.282 18909 5803 1 15 . 1 1 602 602 MET CA C 602 58.484 58.484 59.204 -0.720 18909 5804 1 15 . 1 1 602 602 MET CB C 602 32.433 32.433 32.933 -0.500 18909 5805 1 15 . 1 1 602 602 MET H H 602 7.910 7.910 7.714 0.196 18909 5806 1 15 . 1 1 603 603 VAL N N 603 120.332 120.332 116.899 3.433 18909 5807 1 15 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.737 -0.056 18909 5808 1 15 . 1 1 603 603 VAL C C 603 178.203 178.203 177.108 1.095 18909 5809 1 15 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.308 -0.720 18909 5810 1 15 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.030 0.734 18909 5811 1 15 . 1 1 603 603 VAL H H 603 7.792 7.792 7.776 0.016 18909 5812 1 15 . 1 1 604 604 LYS N N 604 121.047 121.047 120.108 0.939 18909 5813 1 15 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.106 -0.135 18909 5814 1 15 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.157 -0.290 18909 5815 1 15 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.777 0.966 18909 5816 1 15 . 1 1 604 604 LYS H H 604 7.855 7.855 8.058 -0.203 18909 5817 1 15 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.053 0.114 18909 5818 1 15 . 1 1 605 605 ALA C C 605 179.644 179.644 179.269 0.375 18909 5819 1 15 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.057 -0.986 18909 5820 1 15 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.011 0.375 18909 5821 1 15 . 1 1 606 606 LYS N N 606 120.077 120.077 118.968 1.109 18909 5822 1 15 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.890 0.202 18909 5823 1 15 . 1 1 606 606 LYS C C 606 178.218 178.218 178.714 -0.496 18909 5824 1 15 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.731 -1.738 18909 5825 1 15 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.255 0.078 18909 5826 1 15 . 1 1 606 606 LYS H H 606 7.967 7.967 7.886 0.081 18909 5827 1 15 . 1 1 607 607 LYS N N 607 120.979 120.979 118.710 2.269 18909 5828 1 15 . 1 1 607 607 LYS HA H 607 4.105 4.105 3.976 0.129 18909 5829 1 15 . 1 1 607 607 LYS C C 607 177.864 177.864 179.089 -1.225 18909 5830 1 15 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.151 -1.158 18909 5831 1 15 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.358 0.139 18909 5832 1 15 . 1 1 607 607 LYS H H 607 8.013 8.013 7.870 0.143 18909 5833 1 15 . 1 1 608 608 ALA N N 608 122.801 122.801 121.505 1.296 18909 5834 1 15 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.048 0.112 18909 5835 1 15 . 1 1 608 608 ALA C C 608 179.035 179.035 179.581 -0.546 18909 5836 1 15 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.042 -1.298 18909 5837 1 15 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.074 0.366 18909 5838 1 15 . 1 1 608 608 ALA H H 608 8.034 8.034 7.978 0.056 18909 5839 1 15 . 1 1 609 609 ALA N N 609 121.524 121.524 120.307 1.217 18909 5840 1 15 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.985 0.209 18909 5841 1 15 . 1 1 609 609 ALA C C 609 179.062 179.062 179.736 -0.674 18909 5842 1 15 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.928 -1.293 18909 5843 1 15 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.239 0.256 18909 5844 1 15 . 1 1 609 609 ALA H H 609 7.930 7.930 7.582 0.348 18909 5845 1 15 . 1 1 610 610 GLN N N 610 118.289 118.289 118.030 0.259 18909 5846 1 15 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.057 0.092 18909 5847 1 15 . 1 1 610 610 GLN C C 610 177.230 177.230 178.513 -1.283 18909 5848 1 15 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.673 -1.633 18909 5849 1 15 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.875 0.053 18909 5850 1 15 . 1 1 610 610 GLN H H 610 7.996 7.996 8.311 -0.315 18909 5851 1 15 . 1 1 611 611 GLU N N 611 120.690 120.690 120.411 0.279 18909 5852 1 15 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.115 -0.017 18909 5853 1 15 . 1 1 611 611 GLU C C 611 177.237 177.237 179.141 -1.904 18909 5854 1 15 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.001 -1.226 18909 5855 1 15 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.426 0.428 18909 5856 1 15 . 1 1 611 611 GLU H H 611 8.156 8.156 8.066 0.090 18909 5857 1 15 . 1 1 612 612 GLN N N 612 119.771 119.771 119.463 0.308 18909 5858 1 15 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.086 0.100 18909 5859 1 15 . 1 1 612 612 GLN C C 612 176.949 176.949 178.743 -1.794 18909 5860 1 15 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.895 -1.950 18909 5861 1 15 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.932 -0.045 18909 5862 1 15 . 1 1 612 612 GLN H H 612 8.041 8.041 7.667 0.374 18909 5863 1 15 . 1 1 613 613 VAL N N 613 120.724 120.724 120.367 0.357 18909 5864 1 15 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.754 0.147 18909 5865 1 15 . 1 1 613 613 VAL C C 613 177.118 177.118 177.787 -0.669 18909 5866 1 15 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.415 -2.701 18909 5867 1 15 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.317 0.834 18909 5868 1 15 . 1 1 613 613 VAL H H 613 7.857 7.857 7.817 0.040 18909 5869 1 15 . 1 1 614 614 LEU N N 614 124.095 124.095 120.945 3.150 18909 5870 1 15 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.045 0.156 18909 5871 1 15 . 1 1 614 614 LEU C C 614 177.918 177.918 178.492 -0.574 18909 5872 1 15 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.764 -1.732 18909 5873 1 15 . 1 1 614 614 LEU CB C 614 42.085 42.085 40.891 1.194 18909 5874 1 15 . 1 1 614 614 LEU H H 614 8.105 8.105 7.916 0.189 18909 5875 1 15 . 1 1 615 615 ASN N N 615 118.783 118.783 118.487 0.296 18909 5876 1 15 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.427 0.121 18909 5877 1 15 . 1 1 615 615 ASN C C 615 175.745 175.745 177.652 -1.907 18909 5878 1 15 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.141 -2.016 18909 5879 1 15 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.182 0.405 18909 5880 1 15 . 1 1 615 615 ASN H H 615 8.282 8.282 8.075 0.207 18909 5881 1 15 . 1 1 616 616 ALA N N 616 123.857 123.857 121.941 1.916 18909 5882 1 15 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.170 0.053 18909 5883 1 15 . 1 1 616 616 ALA C C 616 178.327 178.327 179.519 -1.192 18909 5884 1 15 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.492 -1.212 18909 5885 1 15 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.268 0.608 18909 5886 1 15 . 1 1 616 616 ALA H H 616 8.098 8.098 7.567 0.531 18909 5887 1 15 . 1 1 617 617 SER N N 617 114.101 114.101 112.012 2.089 18909 5888 1 15 . 1 1 617 617 SER HA H 617 4.337 4.337 4.285 0.052 18909 5889 1 15 . 1 1 617 617 SER C C 617 178.463 178.463 176.088 2.375 18909 5890 1 15 . 1 1 617 617 SER CA C 617 58.865 58.865 60.371 -1.506 18909 5891 1 15 . 1 1 617 617 SER CB C 617 63.659 63.659 63.416 0.243 18909 5892 1 15 . 1 1 617 617 SER H H 617 8.098 8.098 7.706 0.392 18909 5893 1 15 . 1 1 618 618 ARG N N 618 122.410 122.410 118.576 3.834 18909 5894 1 15 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.359 -0.092 18909 5895 1 15 . 1 1 618 618 ARG C C 618 175.902 175.902 176.386 -0.484 18909 5896 1 15 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.161 1.034 18909 5897 1 15 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.416 0.188 18909 5898 1 15 . 1 1 618 618 ARG H H 618 8.012 8.012 7.624 0.388 18909 5899 1 15 . 1 1 619 619 ALA N N 619 124.555 124.555 123.543 1.012 18909 5900 1 15 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.212 0.017 18909 5901 1 15 . 1 1 619 619 ALA C C 619 177.455 177.455 177.029 0.426 18909 5902 1 15 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.059 0.432 18909 5903 1 15 . 1 1 619 619 ALA CB C 619 19.203 19.203 18.124 1.079 18909 5904 1 15 . 1 1 619 619 ALA H H 619 8.039 8.039 7.400 0.639 18909 5905 1 15 . 1 1 620 620 LYS N N 620 121.286 121.286 124.275 -2.989 18909 5906 1 15 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.213 0.020 18909 5907 1 15 . 1 1 620 620 LYS C C 620 175.548 175.548 177.327 -1.779 18909 5908 1 15 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.787 0.517 18909 5909 1 15 . 1 1 620 620 LYS CB C 620 32.974 32.974 32.793 0.181 18909 5910 1 15 . 1 1 620 620 LYS H H 620 8.139 8.139 8.260 -0.121 18909 5911 1 16 . 1 1 552 552 THR N N 552 120.945 120.945 120.703 0.242 18909 5912 1 16 . 1 1 552 552 THR HA H 552 4.505 4.505 4.562 -0.057 18909 5913 1 16 . 1 1 552 552 THR CA C 552 59.439 59.439 59.733 -0.294 18909 5914 1 16 . 1 1 552 552 THR CB C 552 69.599 69.599 69.532 0.067 18909 5915 1 16 . 1 1 552 552 THR H H 552 8.265 8.265 7.926 0.339 18909 5916 1 16 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.540 -0.055 18909 5917 1 16 . 1 1 553 553 PRO C C 553 176.938 176.938 176.367 0.571 18909 5918 1 16 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.312 0.802 18909 5919 1 16 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.525 -0.341 18909 5920 1 16 . 1 1 554 554 TRP N N 554 124.095 124.095 119.953 4.142 18909 5921 1 16 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.643 -0.302 18909 5922 1 16 . 1 1 554 554 TRP C C 554 178.191 178.191 176.502 1.689 18909 5923 1 16 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.383 1.101 18909 5924 1 16 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.629 -0.273 18909 5925 1 16 . 1 1 554 554 TRP H H 554 8.989 8.989 8.606 0.383 18909 5926 1 16 . 1 1 555 555 THR N N 555 115.804 115.804 116.411 -0.607 18909 5927 1 16 . 1 1 555 555 THR HA H 555 4.653 4.653 4.687 -0.034 18909 5928 1 16 . 1 1 555 555 THR C C 555 176.011 176.011 175.758 0.253 18909 5929 1 16 . 1 1 555 555 THR CA C 555 60.145 60.145 60.587 -0.442 18909 5930 1 16 . 1 1 555 555 THR CB C 555 71.749 71.749 70.705 1.044 18909 5931 1 16 . 1 1 555 555 THR H H 555 8.800 8.800 8.067 0.733 18909 5932 1 16 . 1 1 556 556 THR N N 556 116.791 116.791 116.538 0.253 18909 5933 1 16 . 1 1 556 556 THR HA H 556 3.934 3.934 3.887 0.047 18909 5934 1 16 . 1 1 556 556 THR C C 556 176.992 176.992 176.606 0.386 18909 5935 1 16 . 1 1 556 556 THR CA C 556 66.329 66.329 67.629 -1.300 18909 5936 1 16 . 1 1 556 556 THR CB C 556 68.616 68.616 68.567 0.049 18909 5937 1 16 . 1 1 556 556 THR H H 556 8.866 8.866 8.573 0.293 18909 5938 1 16 . 1 1 557 557 GLU N N 557 121.303 121.303 119.504 1.799 18909 5939 1 16 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.152 -0.146 18909 5940 1 16 . 1 1 557 557 GLU C C 557 179.310 179.310 178.984 0.326 18909 5941 1 16 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.378 0.848 18909 5942 1 16 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.603 0.552 18909 5943 1 16 . 1 1 557 557 GLU H H 557 8.538 8.538 8.977 -0.439 18909 5944 1 16 . 1 1 558 558 GLU N N 558 119.737 119.737 119.721 0.016 18909 5945 1 16 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.198 -0.283 18909 5946 1 16 . 1 1 558 558 GLU C C 558 178.844 178.844 179.177 -0.333 18909 5947 1 16 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.349 1.660 18909 5948 1 16 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.192 2.242 18909 5949 1 16 . 1 1 558 558 GLU H H 558 7.831 7.831 7.759 0.072 18909 5950 1 16 . 1 1 559 559 GLN N N 559 119.328 119.328 119.341 -0.013 18909 5951 1 16 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.378 -0.261 18909 5952 1 16 . 1 1 559 559 GLN C C 559 178.155 178.155 178.520 -0.365 18909 5953 1 16 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.942 0.413 18909 5954 1 16 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.806 -0.821 18909 5955 1 16 . 1 1 559 559 GLN H H 559 8.608 8.608 8.503 0.105 18909 5956 1 16 . 1 1 560 560 LYS N N 560 119.311 119.311 119.100 0.211 18909 5957 1 16 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.166 -0.061 18909 5958 1 16 . 1 1 560 560 LYS C C 560 179.880 179.880 179.061 0.819 18909 5959 1 16 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.359 0.378 18909 5960 1 16 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.803 0.258 18909 5961 1 16 . 1 1 560 560 LYS H H 560 8.000 8.000 8.029 -0.029 18909 5962 1 16 . 1 1 561 561 LEU N N 561 120.026 120.026 120.278 -0.252 18909 5963 1 16 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.089 0.037 18909 5964 1 16 . 1 1 561 561 LEU C C 561 180.452 180.452 179.536 0.916 18909 5965 1 16 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.441 0.879 18909 5966 1 16 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.538 0.275 18909 5967 1 16 . 1 1 561 561 LEU H H 561 7.814 7.814 7.519 0.295 18909 5968 1 16 . 1 1 562 562 LEU N N 562 122.427 122.427 120.212 2.215 18909 5969 1 16 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.132 -0.136 18909 5970 1 16 . 1 1 562 562 LEU C C 562 177.428 177.428 178.320 -0.892 18909 5971 1 16 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.082 0.347 18909 5972 1 16 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.835 0.032 18909 5973 1 16 . 1 1 562 562 LEU H H 562 8.374 8.374 7.731 0.643 18909 5974 1 16 . 1 1 563 563 GLU N N 563 117.574 117.574 118.020 -0.446 18909 5975 1 16 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.926 -0.087 18909 5976 1 16 . 1 1 563 563 GLU C C 563 179.907 179.907 179.182 0.725 18909 5977 1 16 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.582 0.563 18909 5978 1 16 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.565 -0.160 18909 5979 1 16 . 1 1 563 563 GLU H H 563 8.541 8.541 8.447 0.094 18909 5980 1 16 . 1 1 564 564 GLN N N 564 117.659 117.659 117.785 -0.126 18909 5981 1 16 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.095 -0.092 18909 5982 1 16 . 1 1 564 564 GLN C C 564 178.490 178.490 177.876 0.614 18909 5983 1 16 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.276 0.099 18909 5984 1 16 . 1 1 564 564 GLN CB C 564 28.507 28.507 27.732 0.775 18909 5985 1 16 . 1 1 564 564 GLN H H 564 8.098 8.098 8.284 -0.186 18909 5986 1 16 . 1 1 565 565 ALA N N 565 125.117 125.117 122.412 2.705 18909 5987 1 16 . 1 1 565 565 ALA HA H 565 4.093 4.093 4.014 0.079 18909 5988 1 16 . 1 1 565 565 ALA C C 565 178.681 178.681 179.682 -1.001 18909 5989 1 16 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.402 0.922 18909 5990 1 16 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.218 1.094 18909 5991 1 16 . 1 1 565 565 ALA H H 565 8.270 8.270 7.541 0.729 18909 5992 1 16 . 1 1 566 566 LEU N N 566 117.217 117.217 117.871 -0.654 18909 5993 1 16 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.823 -0.242 18909 5994 1 16 . 1 1 566 566 LEU C C 566 178.409 178.409 179.271 -0.862 18909 5995 1 16 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.131 0.426 18909 5996 1 16 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.372 0.672 18909 5997 1 16 . 1 1 566 566 LEU H H 566 8.170 8.170 8.138 0.032 18909 5998 1 16 . 1 1 567 567 LYS N N 567 115.429 115.429 118.764 -3.335 18909 5999 1 16 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.209 -0.281 18909 6000 1 16 . 1 1 567 567 LYS C C 567 177.809 177.809 178.188 -0.379 18909 6001 1 16 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.336 -0.670 18909 6002 1 16 . 1 1 567 567 LYS CB C 567 32.714 32.714 31.973 0.741 18909 6003 1 16 . 1 1 567 567 LYS H H 567 6.960 6.960 7.427 -0.467 18909 6004 1 16 . 1 1 568 568 THR N N 568 117.847 117.847 113.633 4.214 18909 6005 1 16 . 1 1 568 568 THR HA H 568 3.468 3.468 3.969 -0.501 18909 6006 1 16 . 1 1 568 568 THR C C 568 173.447 173.447 174.703 -1.256 18909 6007 1 16 . 1 1 568 568 THR CA C 568 65.620 65.620 64.555 1.065 18909 6008 1 16 . 1 1 568 568 THR CB C 568 69.080 69.080 69.138 -0.058 18909 6009 1 16 . 1 1 568 568 THR H H 568 8.024 8.024 7.620 0.404 18909 6010 1 16 . 1 1 569 569 TYR N N 569 118.409 118.409 121.209 -2.800 18909 6011 1 16 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.819 0.081 18909 6012 1 16 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.524 -0.724 18909 6013 1 16 . 1 1 569 569 TYR CB C 569 37.265 37.265 38.570 -1.305 18909 6014 1 16 . 1 1 569 569 TYR H H 569 7.690 7.690 7.557 0.133 18909 6015 1 16 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.580 -0.073 18909 6016 1 16 . 1 1 570 570 PRO C C 570 177.728 177.728 177.965 -0.237 18909 6017 1 16 . 1 1 570 570 PRO CA C 570 62.297 62.297 61.852 0.445 18909 6018 1 16 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.793 -0.221 18909 6019 1 16 . 1 1 571 571 VAL N N 571 120.230 120.230 120.889 -0.659 18909 6020 1 16 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.580 -0.113 18909 6021 1 16 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.592 0.622 18909 6022 1 16 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.246 -0.211 18909 6023 1 16 . 1 1 571 571 VAL H H 571 8.601 8.601 8.366 0.235 18909 6024 1 16 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.635 -0.158 18909 6025 1 16 . 1 1 572 572 ASN C C 572 175.194 175.194 175.582 -0.388 18909 6026 1 16 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.344 -0.164 18909 6027 1 16 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.366 -1.402 18909 6028 1 16 . 1 1 573 573 THR N N 573 119.345 119.345 117.658 1.687 18909 6029 1 16 . 1 1 573 573 THR HA H 573 4.255 4.255 4.503 -0.248 18909 6030 1 16 . 1 1 573 573 THR CA C 573 62.108 62.108 60.720 1.388 18909 6031 1 16 . 1 1 573 573 THR CB C 573 70.852 70.852 69.334 1.518 18909 6032 1 16 . 1 1 573 573 THR H H 573 7.721 7.721 7.459 0.262 18909 6033 1 16 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.288 -0.002 18909 6034 1 16 . 1 1 574 574 PRO C C 574 176.938 176.938 177.465 -0.527 18909 6035 1 16 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.744 -1.357 18909 6036 1 16 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.962 -0.242 18909 6037 1 16 . 1 1 575 575 GLU N N 575 118.953 118.953 116.564 2.389 18909 6038 1 16 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.422 -0.378 18909 6039 1 16 . 1 1 575 575 GLU C C 575 176.475 176.475 177.725 -1.250 18909 6040 1 16 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.926 1.032 18909 6041 1 16 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.369 -1.048 18909 6042 1 16 . 1 1 575 575 GLU H H 575 9.066 9.066 8.794 0.272 18909 6043 1 16 . 1 1 576 576 ARG N N 576 116.246 116.246 121.511 -5.265 18909 6044 1 16 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.903 -0.950 18909 6045 1 16 . 1 1 576 576 ARG C C 576 177.319 177.319 177.453 -0.134 18909 6046 1 16 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.031 0.931 18909 6047 1 16 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.095 1.012 18909 6048 1 16 . 1 1 576 576 ARG H H 576 7.048 7.048 7.420 -0.372 18909 6049 1 16 . 1 1 577 577 TRP N N 577 114.935 114.935 117.536 -2.601 18909 6050 1 16 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.514 -0.448 18909 6051 1 16 . 1 1 577 577 TRP C C 577 177.782 177.782 178.032 -0.250 18909 6052 1 16 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.153 1.537 18909 6053 1 16 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.918 -0.522 18909 6054 1 16 . 1 1 577 577 TRP H H 577 8.238 8.238 8.349 -0.111 18909 6055 1 16 . 1 1 578 578 LYS N N 578 122.682 122.682 119.831 2.851 18909 6056 1 16 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.011 -0.035 18909 6057 1 16 . 1 1 578 578 LYS C C 578 178.872 178.872 178.716 0.156 18909 6058 1 16 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.461 0.330 18909 6059 1 16 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.641 1.073 18909 6060 1 16 . 1 1 578 578 LYS H H 578 7.686 7.686 8.222 -0.536 18909 6061 1 16 . 1 1 579 579 LYS N N 579 118.732 118.732 119.084 -0.352 18909 6062 1 16 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.232 -0.631 18909 6063 1 16 . 1 1 579 579 LYS C C 579 179.362 179.362 178.661 0.701 18909 6064 1 16 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.194 0.399 18909 6065 1 16 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.905 -2.336 18909 6066 1 16 . 1 1 579 579 LYS H H 579 7.375 7.375 7.734 -0.359 18909 6067 1 16 . 1 1 580 580 ILE N N 580 120.281 120.281 120.175 0.106 18909 6068 1 16 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.858 -0.447 18909 6069 1 16 . 1 1 580 580 ILE C C 580 176.747 176.747 177.536 -0.789 18909 6070 1 16 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.654 1.238 18909 6071 1 16 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.726 -0.109 18909 6072 1 16 . 1 1 580 580 ILE H H 580 8.206 8.206 7.382 0.824 18909 6073 1 16 . 1 1 581 581 ALA N N 581 119.004 119.004 122.697 -3.693 18909 6074 1 16 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.091 0.118 18909 6075 1 16 . 1 1 581 581 ALA C C 581 181.487 181.487 178.803 2.684 18909 6076 1 16 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.164 0.187 18909 6077 1 16 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.348 -1.161 18909 6078 1 16 . 1 1 581 581 ALA H H 581 7.944 7.944 7.827 0.117 18909 6079 1 16 . 1 1 582 582 GLU N N 582 117.557 117.557 117.429 0.128 18909 6080 1 16 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.145 -0.279 18909 6081 1 16 . 1 1 582 582 GLU C C 582 177.659 177.659 178.418 -0.759 18909 6082 1 16 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.226 0.387 18909 6083 1 16 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.713 -0.490 18909 6084 1 16 . 1 1 582 582 GLU H H 582 7.722 7.722 7.875 -0.153 18909 6085 1 16 . 1 1 583 583 ALA N N 583 120.247 120.247 120.948 -0.701 18909 6086 1 16 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.274 0.056 18909 6087 1 16 . 1 1 583 583 ALA C C 583 176.311 176.311 177.834 -1.523 18909 6088 1 16 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.750 -1.217 18909 6089 1 16 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.324 -0.910 18909 6090 1 16 . 1 1 583 583 ALA H H 583 7.486 7.486 7.625 -0.139 18909 6091 1 16 . 1 1 584 584 VAL N N 584 120.230 120.230 118.877 1.353 18909 6092 1 16 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.581 -0.159 18909 6093 1 16 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.938 0.392 18909 6094 1 16 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.101 -1.420 18909 6095 1 16 . 1 1 584 584 VAL H H 584 7.486 7.486 7.833 -0.347 18909 6096 1 16 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.599 -0.364 18909 6097 1 16 . 1 1 585 585 PRO C C 585 178.000 178.000 178.472 -0.472 18909 6098 1 16 . 1 1 585 585 PRO CA C 585 64.095 64.095 63.343 0.752 18909 6099 1 16 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.036 -0.370 18909 6100 1 16 . 1 1 586 586 GLY N N 586 111.258 111.258 111.607 -0.349 18909 6101 1 16 . 1 1 586 586 GLY C C 586 174.077 174.077 174.446 -0.369 18909 6102 1 16 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.341 -0.123 18909 6103 1 16 . 1 1 586 586 GLY H H 586 8.470 8.470 8.574 -0.104 18909 6104 1 16 . 1 1 587 587 ARG N N 587 118.885 118.885 122.622 -3.737 18909 6105 1 16 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.464 0.424 18909 6106 1 16 . 1 1 587 587 ARG C C 587 175.875 175.875 176.465 -0.590 18909 6107 1 16 . 1 1 587 587 ARG CA C 587 52.327 52.327 55.196 -2.869 18909 6108 1 16 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.626 1.734 18909 6109 1 16 . 1 1 587 587 ARG H H 587 7.588 7.588 7.848 -0.260 18909 6110 1 16 . 1 1 588 588 THR N N 588 111.905 111.905 112.999 -1.094 18909 6111 1 16 . 1 1 588 588 THR HA H 588 4.543 4.543 4.698 -0.155 18909 6112 1 16 . 1 1 588 588 THR C C 588 176.502 176.502 175.331 1.171 18909 6113 1 16 . 1 1 588 588 THR CA C 588 60.335 60.335 59.936 0.399 18909 6114 1 16 . 1 1 588 588 THR CB C 588 72.376 72.376 71.122 1.254 18909 6115 1 16 . 1 1 588 588 THR H H 588 8.919 8.919 8.198 0.721 18909 6116 1 16 . 1 1 589 589 LYS N N 589 122.529 122.529 121.867 0.662 18909 6117 1 16 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.155 -0.219 18909 6118 1 16 . 1 1 589 589 LYS C C 589 177.945 177.945 178.519 -0.574 18909 6119 1 16 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.458 1.723 18909 6120 1 16 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.825 0.372 18909 6121 1 16 . 1 1 589 589 LYS H H 589 9.076 9.076 8.765 0.311 18909 6122 1 16 . 1 1 590 590 LYS N N 590 118.443 118.443 117.075 1.368 18909 6123 1 16 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.987 -0.118 18909 6124 1 16 . 1 1 590 590 LYS C C 590 178.888 178.888 178.372 0.516 18909 6125 1 16 . 1 1 590 590 LYS CA C 590 59.819 59.819 58.722 1.097 18909 6126 1 16 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.452 0.908 18909 6127 1 16 . 1 1 590 590 LYS H H 590 8.199 8.199 8.240 -0.041 18909 6128 1 16 . 1 1 591 591 ASP N N 591 120.281 120.281 120.826 -0.545 18909 6129 1 16 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.649 -0.308 18909 6130 1 16 . 1 1 591 591 ASP C C 591 179.771 179.771 178.326 1.445 18909 6131 1 16 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.099 0.159 18909 6132 1 16 . 1 1 591 591 ASP CB C 591 41.758 41.758 41.206 0.552 18909 6133 1 16 . 1 1 591 591 ASP H H 591 7.806 7.806 7.899 -0.093 18909 6134 1 16 . 1 1 592 592 CYS N N 592 118.153 118.153 119.602 -1.449 18909 6135 1 16 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.197 0.119 18909 6136 1 16 . 1 1 592 592 CYS C C 592 175.773 175.773 176.523 -0.750 18909 6137 1 16 . 1 1 592 592 CYS CA C 592 64.939 64.939 62.803 2.136 18909 6138 1 16 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.435 -0.387 18909 6139 1 16 . 1 1 592 592 CYS H H 592 8.551 8.551 8.123 0.428 18909 6140 1 16 . 1 1 593 593 MET N N 593 119.107 119.107 119.594 -0.487 18909 6141 1 16 . 1 1 593 593 MET HA H 593 3.011 3.011 3.843 -0.832 18909 6142 1 16 . 1 1 593 593 MET C C 593 178.256 178.256 177.929 0.327 18909 6143 1 16 . 1 1 593 593 MET CA C 593 59.546 59.546 59.205 0.341 18909 6144 1 16 . 1 1 593 593 MET CB C 593 33.099 33.099 31.971 1.128 18909 6145 1 16 . 1 1 593 593 MET H H 593 8.226 8.226 8.170 0.056 18909 6146 1 16 . 1 1 594 594 LYS N N 594 120.230 120.230 120.201 0.029 18909 6147 1 16 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.867 0.014 18909 6148 1 16 . 1 1 594 594 LYS C C 594 178.396 178.396 178.673 -0.277 18909 6149 1 16 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.847 -0.492 18909 6150 1 16 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.362 0.158 18909 6151 1 16 . 1 1 594 594 LYS H H 594 7.947 7.947 7.861 0.086 18909 6152 1 16 . 1 1 595 595 ARG N N 595 119.498 119.498 118.967 0.531 18909 6153 1 16 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.155 -0.292 18909 6154 1 16 . 1 1 595 595 ARG C C 595 177.728 177.728 178.567 -0.839 18909 6155 1 16 . 1 1 595 595 ARG CA C 595 56.958 56.958 57.899 -0.941 18909 6156 1 16 . 1 1 595 595 ARG CB C 595 29.432 29.432 28.977 0.455 18909 6157 1 16 . 1 1 595 595 ARG H H 595 7.964 7.964 7.698 0.266 18909 6158 1 16 . 1 1 596 596 TYR N N 596 118.375 118.375 120.440 -2.065 18909 6159 1 16 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.098 -0.021 18909 6160 1 16 . 1 1 596 596 TYR C C 596 176.072 176.072 177.159 -1.087 18909 6161 1 16 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.098 0.121 18909 6162 1 16 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.427 0.770 18909 6163 1 16 . 1 1 596 596 TYR H H 596 8.161 8.161 8.154 0.007 18909 6164 1 16 . 1 1 597 597 LYS N N 597 117.932 117.932 119.869 -1.937 18909 6165 1 16 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.552 0.031 18909 6166 1 16 . 1 1 597 597 LYS C C 597 178.941 178.941 178.450 0.491 18909 6167 1 16 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.851 -0.309 18909 6168 1 16 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.153 -0.151 18909 6169 1 16 . 1 1 597 597 LYS H H 597 7.709 7.709 7.861 -0.152 18909 6170 1 16 . 1 1 598 598 GLU N N 598 118.153 118.153 119.333 -1.180 18909 6171 1 16 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.932 -0.065 18909 6172 1 16 . 1 1 598 598 GLU C C 598 179.389 179.389 179.260 0.129 18909 6173 1 16 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.294 -0.320 18909 6174 1 16 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.479 -0.074 18909 6175 1 16 . 1 1 598 598 GLU H H 598 7.709 7.709 7.860 -0.151 18909 6176 1 16 . 1 1 599 599 LEU N N 599 121.286 121.286 119.983 1.303 18909 6177 1 16 . 1 1 599 599 LEU HA H 599 3.983 3.983 4.009 -0.026 18909 6178 1 16 . 1 1 599 599 LEU C C 599 179.658 179.658 178.983 0.675 18909 6179 1 16 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.937 -0.162 18909 6180 1 16 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.725 -0.375 18909 6181 1 16 . 1 1 599 599 LEU H H 599 8.044 8.044 8.205 -0.161 18909 6182 1 16 . 1 1 600 600 VAL N N 600 119.583 119.583 118.561 1.022 18909 6183 1 16 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.665 -0.179 18909 6184 1 16 . 1 1 600 600 VAL C C 600 178.899 178.899 178.021 0.878 18909 6185 1 16 . 1 1 600 600 VAL CA C 600 66.056 66.056 65.777 0.279 18909 6186 1 16 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.192 0.378 18909 6187 1 16 . 1 1 600 600 VAL H H 600 7.998 7.998 7.689 0.309 18909 6188 1 16 . 1 1 601 601 GLU N N 601 119.073 119.073 120.082 -1.009 18909 6189 1 16 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.015 -0.080 18909 6190 1 16 . 1 1 601 601 GLU C C 601 178.931 178.931 179.249 -0.318 18909 6191 1 16 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.164 -0.518 18909 6192 1 16 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.173 -0.136 18909 6193 1 16 . 1 1 601 601 GLU H H 601 7.795 7.795 8.164 -0.369 18909 6194 1 16 . 1 1 602 602 MET N N 602 119.771 119.771 118.069 1.702 18909 6195 1 16 . 1 1 602 602 MET HA H 602 4.153 4.153 4.094 0.059 18909 6196 1 16 . 1 1 602 602 MET C C 602 178.353 178.353 178.789 -0.436 18909 6197 1 16 . 1 1 602 602 MET CA C 602 58.484 58.484 59.307 -0.823 18909 6198 1 16 . 1 1 602 602 MET CB C 602 32.433 32.433 32.678 -0.245 18909 6199 1 16 . 1 1 602 602 MET H H 602 7.910 7.910 8.026 -0.116 18909 6200 1 16 . 1 1 603 603 VAL N N 603 120.332 120.332 116.918 3.414 18909 6201 1 16 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.693 -0.012 18909 6202 1 16 . 1 1 603 603 VAL C C 603 178.203 178.203 177.433 0.770 18909 6203 1 16 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.405 -0.817 18909 6204 1 16 . 1 1 603 603 VAL CB C 603 31.765 31.765 30.977 0.788 18909 6205 1 16 . 1 1 603 603 VAL H H 603 7.792 7.792 7.686 0.106 18909 6206 1 16 . 1 1 604 604 LYS N N 604 121.047 121.047 120.570 0.477 18909 6207 1 16 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.954 0.017 18909 6208 1 16 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.711 -0.844 18909 6209 1 16 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.097 0.646 18909 6210 1 16 . 1 1 604 604 LYS H H 604 7.855 7.855 7.749 0.106 18909 6211 1 16 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.138 0.029 18909 6212 1 16 . 1 1 605 605 ALA C C 605 179.644 179.644 179.438 0.206 18909 6213 1 16 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.959 -0.888 18909 6214 1 16 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.162 0.224 18909 6215 1 16 . 1 1 606 606 LYS N N 606 120.077 120.077 119.177 0.900 18909 6216 1 16 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.027 0.065 18909 6217 1 16 . 1 1 606 606 LYS C C 606 178.218 178.218 178.829 -0.611 18909 6218 1 16 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.441 -1.448 18909 6219 1 16 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.395 -0.062 18909 6220 1 16 . 1 1 606 606 LYS H H 606 7.967 7.967 7.862 0.105 18909 6221 1 16 . 1 1 607 607 LYS N N 607 120.979 120.979 118.914 2.065 18909 6222 1 16 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.059 0.046 18909 6223 1 16 . 1 1 607 607 LYS C C 607 177.864 177.864 179.013 -1.149 18909 6224 1 16 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.461 -1.468 18909 6225 1 16 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.408 0.088 18909 6226 1 16 . 1 1 607 607 LYS H H 607 8.013 8.013 7.963 0.050 18909 6227 1 16 . 1 1 608 608 ALA N N 608 122.801 122.801 121.083 1.718 18909 6228 1 16 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.253 -0.093 18909 6229 1 16 . 1 1 608 608 ALA C C 608 179.035 179.035 179.379 -0.344 18909 6230 1 16 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.670 -0.926 18909 6231 1 16 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.110 0.330 18909 6232 1 16 . 1 1 608 608 ALA H H 608 8.034 8.034 8.131 -0.097 18909 6233 1 16 . 1 1 609 609 ALA N N 609 121.524 121.524 120.900 0.624 18909 6234 1 16 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.020 0.174 18909 6235 1 16 . 1 1 609 609 ALA C C 609 179.062 179.062 179.741 -0.679 18909 6236 1 16 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.898 -1.263 18909 6237 1 16 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.293 0.202 18909 6238 1 16 . 1 1 609 609 ALA H H 609 7.930 7.930 7.861 0.069 18909 6239 1 16 . 1 1 610 610 GLN N N 610 118.289 118.289 117.793 0.496 18909 6240 1 16 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.118 0.031 18909 6241 1 16 . 1 1 610 610 GLN C C 610 177.230 177.230 177.951 -0.721 18909 6242 1 16 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.488 -1.448 18909 6243 1 16 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.922 0.007 18909 6244 1 16 . 1 1 610 610 GLN H H 610 7.996 7.996 7.920 0.076 18909 6245 1 16 . 1 1 611 611 GLU N N 611 120.690 120.690 120.730 -0.040 18909 6246 1 16 . 1 1 611 611 GLU HA H 611 4.098 4.098 3.988 0.110 18909 6247 1 16 . 1 1 611 611 GLU C C 611 177.237 177.237 178.854 -1.617 18909 6248 1 16 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.515 -1.740 18909 6249 1 16 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.322 0.532 18909 6250 1 16 . 1 1 611 611 GLU H H 611 8.156 8.156 7.931 0.225 18909 6251 1 16 . 1 1 612 612 GLN N N 612 119.771 119.771 117.805 1.966 18909 6252 1 16 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.095 0.091 18909 6253 1 16 . 1 1 612 612 GLN C C 612 176.949 176.949 178.477 -1.528 18909 6254 1 16 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.681 -1.736 18909 6255 1 16 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.369 0.518 18909 6256 1 16 . 1 1 612 612 GLN H H 612 8.041 8.041 8.032 0.009 18909 6257 1 16 . 1 1 613 613 VAL N N 613 120.724 120.724 120.788 -0.064 18909 6258 1 16 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.707 0.194 18909 6259 1 16 . 1 1 613 613 VAL C C 613 177.118 177.118 178.144 -1.026 18909 6260 1 16 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.358 -1.644 18909 6261 1 16 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.750 0.401 18909 6262 1 16 . 1 1 613 613 VAL H H 613 7.857 7.857 7.414 0.443 18909 6263 1 16 . 1 1 614 614 LEU N N 614 124.095 124.095 120.287 3.808 18909 6264 1 16 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.928 0.274 18909 6265 1 16 . 1 1 614 614 LEU C C 614 177.918 177.918 178.353 -0.435 18909 6266 1 16 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.989 -1.957 18909 6267 1 16 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.574 0.511 18909 6268 1 16 . 1 1 614 614 LEU H H 614 8.105 8.105 8.315 -0.210 18909 6269 1 16 . 1 1 615 615 ASN N N 615 118.783 118.783 117.841 0.942 18909 6270 1 16 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.312 0.236 18909 6271 1 16 . 1 1 615 615 ASN C C 615 175.745 175.745 176.998 -1.253 18909 6272 1 16 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.985 -2.860 18909 6273 1 16 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.602 -0.015 18909 6274 1 16 . 1 1 615 615 ASN H H 615 8.282 8.282 8.210 0.072 18909 6275 1 16 . 1 1 616 616 ALA N N 616 123.857 123.857 121.015 2.842 18909 6276 1 16 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.183 0.040 18909 6277 1 16 . 1 1 616 616 ALA C C 616 178.327 178.327 179.999 -1.672 18909 6278 1 16 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.604 -1.324 18909 6279 1 16 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.337 0.538 18909 6280 1 16 . 1 1 616 616 ALA H H 616 8.098 8.098 7.543 0.555 18909 6281 1 16 . 1 1 617 617 SER N N 617 114.101 114.101 113.059 1.042 18909 6282 1 16 . 1 1 617 617 SER HA H 617 4.337 4.337 4.289 0.048 18909 6283 1 16 . 1 1 617 617 SER C C 617 178.463 178.463 176.376 2.087 18909 6284 1 16 . 1 1 617 617 SER CA C 617 58.865 58.865 60.510 -1.645 18909 6285 1 16 . 1 1 617 617 SER CB C 617 63.659 63.659 63.333 0.326 18909 6286 1 16 . 1 1 617 617 SER H H 617 8.098 8.098 7.937 0.161 18909 6287 1 16 . 1 1 618 618 ARG N N 618 122.410 122.410 120.573 1.837 18909 6288 1 16 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.352 -0.085 18909 6289 1 16 . 1 1 618 618 ARG C C 618 175.902 175.902 176.023 -0.121 18909 6290 1 16 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.627 0.568 18909 6291 1 16 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.340 0.264 18909 6292 1 16 . 1 1 618 618 ARG H H 618 8.012 8.012 7.953 0.059 18909 6293 1 16 . 1 1 619 619 ALA N N 619 124.555 124.555 119.747 4.808 18909 6294 1 16 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.031 0.197 18909 6295 1 16 . 1 1 619 619 ALA C C 619 177.455 177.455 176.590 0.865 18909 6296 1 16 . 1 1 619 619 ALA CA C 619 52.491 52.491 53.036 -0.545 18909 6297 1 16 . 1 1 619 619 ALA CB C 619 19.203 19.203 17.307 1.896 18909 6298 1 16 . 1 1 619 619 ALA H H 619 8.039 8.039 7.512 0.527 18909 6299 1 16 . 1 1 620 620 LYS N N 620 121.286 121.286 119.894 1.392 18909 6300 1 16 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.526 -0.293 18909 6301 1 16 . 1 1 620 620 LYS C C 620 175.548 175.548 175.289 0.259 18909 6302 1 16 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.221 1.083 18909 6303 1 16 . 1 1 620 620 LYS CB C 620 32.974 32.974 34.884 -1.910 18909 6304 1 16 . 1 1 620 620 LYS H H 620 8.139 8.139 7.641 0.498 18909 6305 1 17 . 1 1 552 552 THR N N 552 120.945 120.945 119.627 1.318 18909 6306 1 17 . 1 1 552 552 THR HA H 552 4.505 4.505 4.719 -0.214 18909 6307 1 17 . 1 1 552 552 THR CA C 552 59.439 59.439 59.110 0.329 18909 6308 1 17 . 1 1 552 552 THR CB C 552 69.599 69.599 70.043 -0.444 18909 6309 1 17 . 1 1 552 552 THR H H 552 8.265 8.265 7.666 0.599 18909 6310 1 17 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.469 0.016 18909 6311 1 17 . 1 1 553 553 PRO C C 553 176.938 176.938 176.457 0.481 18909 6312 1 17 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.558 0.556 18909 6313 1 17 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.284 -0.100 18909 6314 1 17 . 1 1 554 554 TRP N N 554 124.095 124.095 120.594 3.501 18909 6315 1 17 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.687 -0.346 18909 6316 1 17 . 1 1 554 554 TRP C C 554 178.191 178.191 177.431 0.760 18909 6317 1 17 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.394 1.090 18909 6318 1 17 . 1 1 554 554 TRP CB C 554 28.356 28.356 29.128 -0.771 18909 6319 1 17 . 1 1 554 554 TRP H H 554 8.989 8.989 8.508 0.481 18909 6320 1 17 . 1 1 555 555 THR N N 555 115.804 115.804 116.999 -1.195 18909 6321 1 17 . 1 1 555 555 THR HA H 555 4.653 4.653 4.600 0.053 18909 6322 1 17 . 1 1 555 555 THR C C 555 176.011 176.011 176.167 -0.156 18909 6323 1 17 . 1 1 555 555 THR CA C 555 60.145 60.145 61.090 -0.945 18909 6324 1 17 . 1 1 555 555 THR CB C 555 71.749 71.749 70.450 1.299 18909 6325 1 17 . 1 1 555 555 THR H H 555 8.800 8.800 8.690 0.110 18909 6326 1 17 . 1 1 556 556 THR N N 556 116.791 116.791 116.832 -0.041 18909 6327 1 17 . 1 1 556 556 THR HA H 556 3.934 3.934 3.943 -0.009 18909 6328 1 17 . 1 1 556 556 THR C C 556 176.992 176.992 176.611 0.381 18909 6329 1 17 . 1 1 556 556 THR CA C 556 66.329 66.329 67.969 -1.640 18909 6330 1 17 . 1 1 556 556 THR CB C 556 68.616 68.616 68.516 0.100 18909 6331 1 17 . 1 1 556 556 THR H H 556 8.866 8.866 8.597 0.269 18909 6332 1 17 . 1 1 557 557 GLU N N 557 121.303 121.303 119.859 1.444 18909 6333 1 17 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.056 -0.050 18909 6334 1 17 . 1 1 557 557 GLU C C 557 179.310 179.310 178.871 0.439 18909 6335 1 17 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.340 0.886 18909 6336 1 17 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.928 0.227 18909 6337 1 17 . 1 1 557 557 GLU H H 557 8.538 8.538 8.954 -0.416 18909 6338 1 17 . 1 1 558 558 GLU N N 558 119.737 119.737 119.718 0.019 18909 6339 1 17 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.146 -0.231 18909 6340 1 17 . 1 1 558 558 GLU C C 558 178.844 178.844 179.208 -0.364 18909 6341 1 17 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.786 1.223 18909 6342 1 17 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.544 1.890 18909 6343 1 17 . 1 1 558 558 GLU H H 558 7.831 7.831 7.744 0.087 18909 6344 1 17 . 1 1 559 559 GLN N N 559 119.328 119.328 119.339 -0.011 18909 6345 1 17 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.309 -0.192 18909 6346 1 17 . 1 1 559 559 GLN C C 559 178.155 178.155 178.514 -0.359 18909 6347 1 17 . 1 1 559 559 GLN CA C 559 59.355 59.355 59.013 0.342 18909 6348 1 17 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.750 -0.765 18909 6349 1 17 . 1 1 559 559 GLN H H 559 8.608 8.608 8.380 0.228 18909 6350 1 17 . 1 1 560 560 LYS N N 560 119.311 119.311 119.381 -0.070 18909 6351 1 17 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.152 -0.047 18909 6352 1 17 . 1 1 560 560 LYS C C 560 179.880 179.880 179.320 0.560 18909 6353 1 17 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.358 0.380 18909 6354 1 17 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.827 0.234 18909 6355 1 17 . 1 1 560 560 LYS H H 560 8.000 8.000 8.070 -0.071 18909 6356 1 17 . 1 1 561 561 LEU N N 561 120.026 120.026 120.041 -0.015 18909 6357 1 17 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.098 0.028 18909 6358 1 17 . 1 1 561 561 LEU C C 561 180.452 180.452 179.391 1.061 18909 6359 1 17 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.385 0.935 18909 6360 1 17 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.815 -0.001 18909 6361 1 17 . 1 1 561 561 LEU H H 561 7.814 7.814 7.555 0.259 18909 6362 1 17 . 1 1 562 562 LEU N N 562 122.427 122.427 121.062 1.365 18909 6363 1 17 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.144 -0.148 18909 6364 1 17 . 1 1 562 562 LEU C C 562 177.428 177.428 178.470 -1.042 18909 6365 1 17 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.386 0.043 18909 6366 1 17 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.973 -0.106 18909 6367 1 17 . 1 1 562 562 LEU H H 562 8.374 8.374 7.963 0.411 18909 6368 1 17 . 1 1 563 563 GLU N N 563 117.574 117.574 117.892 -0.318 18909 6369 1 17 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.932 -0.093 18909 6370 1 17 . 1 1 563 563 GLU C C 563 179.907 179.907 179.145 0.762 18909 6371 1 17 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.578 0.567 18909 6372 1 17 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.501 -0.096 18909 6373 1 17 . 1 1 563 563 GLU H H 563 8.541 8.541 8.400 0.141 18909 6374 1 17 . 1 1 564 564 GLN N N 564 117.659 117.659 117.744 -0.085 18909 6375 1 17 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.072 -0.069 18909 6376 1 17 . 1 1 564 564 GLN C C 564 178.490 178.490 178.029 0.461 18909 6377 1 17 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.505 -0.130 18909 6378 1 17 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.330 0.177 18909 6379 1 17 . 1 1 564 564 GLN H H 564 8.098 8.098 8.198 -0.100 18909 6380 1 17 . 1 1 565 565 ALA N N 565 125.117 125.117 122.591 2.526 18909 6381 1 17 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.962 0.131 18909 6382 1 17 . 1 1 565 565 ALA C C 565 178.681 178.681 179.540 -0.859 18909 6383 1 17 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.383 0.941 18909 6384 1 17 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.354 0.958 18909 6385 1 17 . 1 1 565 565 ALA H H 565 8.270 8.270 7.540 0.730 18909 6386 1 17 . 1 1 566 566 LEU N N 566 117.217 117.217 118.852 -1.635 18909 6387 1 17 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.834 -0.253 18909 6388 1 17 . 1 1 566 566 LEU C C 566 178.409 178.409 179.456 -1.047 18909 6389 1 17 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.300 0.257 18909 6390 1 17 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.493 0.551 18909 6391 1 17 . 1 1 566 566 LEU H H 566 8.170 8.170 8.007 0.163 18909 6392 1 17 . 1 1 567 567 LYS N N 567 115.429 115.429 118.772 -3.343 18909 6393 1 17 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.122 -0.194 18909 6394 1 17 . 1 1 567 567 LYS C C 567 177.809 177.809 178.182 -0.373 18909 6395 1 17 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.883 -1.217 18909 6396 1 17 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.398 0.316 18909 6397 1 17 . 1 1 567 567 LYS H H 567 6.960 6.960 7.671 -0.711 18909 6398 1 17 . 1 1 568 568 THR N N 568 117.847 117.847 113.851 3.996 18909 6399 1 17 . 1 1 568 568 THR HA H 568 3.468 3.468 3.949 -0.481 18909 6400 1 17 . 1 1 568 568 THR C C 568 173.447 173.447 174.982 -1.535 18909 6401 1 17 . 1 1 568 568 THR CA C 568 65.620 65.620 64.672 0.948 18909 6402 1 17 . 1 1 568 568 THR CB C 568 69.080 69.080 69.173 -0.093 18909 6403 1 17 . 1 1 568 568 THR H H 568 8.024 8.024 7.547 0.477 18909 6404 1 17 . 1 1 569 569 TYR N N 569 118.409 118.409 120.676 -2.267 18909 6405 1 17 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.847 0.053 18909 6406 1 17 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.536 -0.736 18909 6407 1 17 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.077 0.188 18909 6408 1 17 . 1 1 569 569 TYR H H 569 7.690 7.690 7.424 0.266 18909 6409 1 17 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.361 0.146 18909 6410 1 17 . 1 1 570 570 PRO C C 570 177.728 177.728 178.323 -0.595 18909 6411 1 17 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.256 0.041 18909 6412 1 17 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.710 0.862 18909 6413 1 17 . 1 1 571 571 VAL N N 571 120.230 120.230 119.680 0.550 18909 6414 1 17 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.649 -0.182 18909 6415 1 17 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.346 0.868 18909 6416 1 17 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.990 0.045 18909 6417 1 17 . 1 1 571 571 VAL H H 571 8.601 8.601 8.500 0.101 18909 6418 1 17 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.727 -0.250 18909 6419 1 17 . 1 1 572 572 ASN C C 572 175.194 175.194 174.882 0.312 18909 6420 1 17 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.979 0.201 18909 6421 1 17 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.457 -1.493 18909 6422 1 17 . 1 1 573 573 THR N N 573 119.345 119.345 117.144 2.201 18909 6423 1 17 . 1 1 573 573 THR HA H 573 4.255 4.255 4.658 -0.403 18909 6424 1 17 . 1 1 573 573 THR CA C 573 62.108 62.108 60.775 1.333 18909 6425 1 17 . 1 1 573 573 THR CB C 573 70.852 70.852 69.071 1.781 18909 6426 1 17 . 1 1 573 573 THR H H 573 7.721 7.721 7.407 0.314 18909 6427 1 17 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.354 -0.068 18909 6428 1 17 . 1 1 574 574 PRO C C 574 176.938 176.938 176.988 -0.050 18909 6429 1 17 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.230 -0.843 18909 6430 1 17 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.104 -0.384 18909 6431 1 17 . 1 1 575 575 GLU N N 575 118.953 118.953 116.230 2.723 18909 6432 1 17 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.557 -0.513 18909 6433 1 17 . 1 1 575 575 GLU C C 575 176.475 176.475 176.616 -0.141 18909 6434 1 17 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.163 1.795 18909 6435 1 17 . 1 1 575 575 GLU CB C 575 27.321 27.321 27.757 -0.436 18909 6436 1 17 . 1 1 575 575 GLU H H 575 9.066 9.066 8.593 0.473 18909 6437 1 17 . 1 1 576 576 ARG N N 576 116.246 116.246 121.858 -5.612 18909 6438 1 17 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.733 -0.780 18909 6439 1 17 . 1 1 576 576 ARG C C 576 177.319 177.319 177.100 0.219 18909 6440 1 17 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.742 0.220 18909 6441 1 17 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.173 0.934 18909 6442 1 17 . 1 1 576 576 ARG H H 576 7.048 7.048 7.407 -0.359 18909 6443 1 17 . 1 1 577 577 TRP N N 577 114.935 114.935 116.319 -1.384 18909 6444 1 17 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.502 -0.436 18909 6445 1 17 . 1 1 577 577 TRP C C 577 177.782 177.782 177.700 0.082 18909 6446 1 17 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.278 1.412 18909 6447 1 17 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.865 -0.469 18909 6448 1 17 . 1 1 577 577 TRP H H 577 8.238 8.238 8.050 0.188 18909 6449 1 17 . 1 1 578 578 LYS N N 578 122.682 122.682 119.472 3.210 18909 6450 1 17 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.089 -0.113 18909 6451 1 17 . 1 1 578 578 LYS C C 578 178.872 178.872 178.748 0.124 18909 6452 1 17 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.372 0.419 18909 6453 1 17 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.488 1.226 18909 6454 1 17 . 1 1 578 578 LYS H H 578 7.686 7.686 8.096 -0.410 18909 6455 1 17 . 1 1 579 579 LYS N N 579 118.732 118.732 119.635 -0.903 18909 6456 1 17 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.250 -0.649 18909 6457 1 17 . 1 1 579 579 LYS C C 579 179.362 179.362 178.947 0.415 18909 6458 1 17 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.432 0.161 18909 6459 1 17 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.912 -2.343 18909 6460 1 17 . 1 1 579 579 LYS H H 579 7.375 7.375 7.593 -0.218 18909 6461 1 17 . 1 1 580 580 ILE N N 580 120.281 120.281 119.920 0.361 18909 6462 1 17 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.900 -0.489 18909 6463 1 17 . 1 1 580 580 ILE C C 580 176.747 176.747 177.530 -0.783 18909 6464 1 17 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.656 1.236 18909 6465 1 17 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.831 -0.214 18909 6466 1 17 . 1 1 580 580 ILE H H 580 8.206 8.206 7.890 0.316 18909 6467 1 17 . 1 1 581 581 ALA N N 581 119.004 119.004 122.888 -3.884 18909 6468 1 17 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.109 0.100 18909 6469 1 17 . 1 1 581 581 ALA C C 581 181.487 181.487 178.891 2.596 18909 6470 1 17 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.102 0.249 18909 6471 1 17 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.328 -1.141 18909 6472 1 17 . 1 1 581 581 ALA H H 581 7.944 7.944 7.822 0.122 18909 6473 1 17 . 1 1 582 582 GLU N N 582 117.557 117.557 117.667 -0.110 18909 6474 1 17 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.116 -0.250 18909 6475 1 17 . 1 1 582 582 GLU C C 582 177.659 177.659 178.501 -0.842 18909 6476 1 17 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.319 0.294 18909 6477 1 17 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.686 -0.464 18909 6478 1 17 . 1 1 582 582 GLU H H 582 7.722 7.722 7.817 -0.095 18909 6479 1 17 . 1 1 583 583 ALA N N 583 120.247 120.247 121.195 -0.948 18909 6480 1 17 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.257 0.073 18909 6481 1 17 . 1 1 583 583 ALA C C 583 176.311 176.311 177.880 -1.569 18909 6482 1 17 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.849 -1.316 18909 6483 1 17 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.222 -0.808 18909 6484 1 17 . 1 1 583 583 ALA H H 583 7.486 7.486 7.511 -0.025 18909 6485 1 17 . 1 1 584 584 VAL N N 584 120.230 120.230 119.065 1.165 18909 6486 1 17 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.530 -0.108 18909 6487 1 17 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.931 0.399 18909 6488 1 17 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.359 -1.678 18909 6489 1 17 . 1 1 584 584 VAL H H 584 7.486 7.486 7.738 -0.252 18909 6490 1 17 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.646 -0.411 18909 6491 1 17 . 1 1 585 585 PRO C C 585 178.000 178.000 178.421 -0.421 18909 6492 1 17 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.977 1.118 18909 6493 1 17 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.035 -0.369 18909 6494 1 17 . 1 1 586 586 GLY N N 586 111.258 111.258 112.611 -1.353 18909 6495 1 17 . 1 1 586 586 GLY C C 586 174.077 174.077 174.422 -0.345 18909 6496 1 17 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.292 -0.074 18909 6497 1 17 . 1 1 586 586 GLY H H 586 8.470 8.470 8.607 -0.137 18909 6498 1 17 . 1 1 587 587 ARG N N 587 118.885 118.885 123.514 -4.629 18909 6499 1 17 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.306 0.582 18909 6500 1 17 . 1 1 587 587 ARG C C 587 175.875 175.875 176.623 -0.748 18909 6501 1 17 . 1 1 587 587 ARG CA C 587 52.327 52.327 55.187 -2.860 18909 6502 1 17 . 1 1 587 587 ARG CB C 587 32.360 32.360 29.851 2.509 18909 6503 1 17 . 1 1 587 587 ARG H H 587 7.588 7.588 7.716 -0.129 18909 6504 1 17 . 1 1 588 588 THR N N 588 111.905 111.905 116.037 -4.132 18909 6505 1 17 . 1 1 588 588 THR HA H 588 4.543 4.543 4.505 0.038 18909 6506 1 17 . 1 1 588 588 THR C C 588 176.502 176.502 175.727 0.775 18909 6507 1 17 . 1 1 588 588 THR CA C 588 60.335 60.335 60.919 -0.584 18909 6508 1 17 . 1 1 588 588 THR CB C 588 72.376 72.376 70.213 2.163 18909 6509 1 17 . 1 1 588 588 THR H H 588 8.919 8.919 8.501 0.418 18909 6510 1 17 . 1 1 589 589 LYS N N 589 122.529 122.529 121.749 0.780 18909 6511 1 17 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.164 -0.228 18909 6512 1 17 . 1 1 589 589 LYS C C 589 177.945 177.945 178.560 -0.615 18909 6513 1 17 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.483 1.698 18909 6514 1 17 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.759 0.438 18909 6515 1 17 . 1 1 589 589 LYS H H 589 9.076 9.076 8.669 0.407 18909 6516 1 17 . 1 1 590 590 LYS N N 590 118.443 118.443 116.528 1.915 18909 6517 1 17 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.974 -0.105 18909 6518 1 17 . 1 1 590 590 LYS C C 590 178.888 178.888 177.948 0.940 18909 6519 1 17 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.135 0.684 18909 6520 1 17 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.819 0.541 18909 6521 1 17 . 1 1 590 590 LYS H H 590 8.199 8.199 8.263 -0.064 18909 6522 1 17 . 1 1 591 591 ASP N N 591 120.281 120.281 121.768 -1.487 18909 6523 1 17 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.668 -0.327 18909 6524 1 17 . 1 1 591 591 ASP C C 591 179.771 179.771 178.616 1.155 18909 6525 1 17 . 1 1 591 591 ASP CA C 591 57.258 57.258 56.888 0.370 18909 6526 1 17 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.553 1.205 18909 6527 1 17 . 1 1 591 591 ASP H H 591 7.806 7.806 7.886 -0.080 18909 6528 1 17 . 1 1 592 592 CYS N N 592 118.153 118.153 118.985 -0.832 18909 6529 1 17 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.333 -0.017 18909 6530 1 17 . 1 1 592 592 CYS C C 592 175.773 175.773 176.975 -1.202 18909 6531 1 17 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.352 1.587 18909 6532 1 17 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.381 -0.333 18909 6533 1 17 . 1 1 592 592 CYS H H 592 8.551 8.551 8.051 0.500 18909 6534 1 17 . 1 1 593 593 MET N N 593 119.107 119.107 119.677 -0.570 18909 6535 1 17 . 1 1 593 593 MET HA H 593 3.011 3.011 3.626 -0.615 18909 6536 1 17 . 1 1 593 593 MET C C 593 178.256 178.256 178.174 0.082 18909 6537 1 17 . 1 1 593 593 MET CA C 593 59.546 59.546 59.495 0.051 18909 6538 1 17 . 1 1 593 593 MET CB C 593 33.099 33.099 32.081 1.018 18909 6539 1 17 . 1 1 593 593 MET H H 593 8.226 8.226 8.151 0.075 18909 6540 1 17 . 1 1 594 594 LYS N N 594 120.230 120.230 118.111 2.119 18909 6541 1 17 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.987 -0.106 18909 6542 1 17 . 1 1 594 594 LYS C C 594 178.396 178.396 179.176 -0.780 18909 6543 1 17 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.600 -0.245 18909 6544 1 17 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.137 0.383 18909 6545 1 17 . 1 1 594 594 LYS H H 594 7.947 7.947 7.693 0.254 18909 6546 1 17 . 1 1 595 595 ARG N N 595 119.498 119.498 120.330 -0.832 18909 6547 1 17 . 1 1 595 595 ARG HA H 595 3.863 3.863 3.927 -0.064 18909 6548 1 17 . 1 1 595 595 ARG C C 595 177.728 177.728 177.831 -0.103 18909 6549 1 17 . 1 1 595 595 ARG CA C 595 56.958 56.958 57.926 -0.968 18909 6550 1 17 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.144 0.288 18909 6551 1 17 . 1 1 595 595 ARG H H 595 7.964 7.964 8.148 -0.184 18909 6552 1 17 . 1 1 596 596 TYR N N 596 118.375 118.375 120.725 -2.350 18909 6553 1 17 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.085 -0.008 18909 6554 1 17 . 1 1 596 596 TYR C C 596 176.072 176.072 177.259 -1.187 18909 6555 1 17 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.108 0.111 18909 6556 1 17 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.387 0.810 18909 6557 1 17 . 1 1 596 596 TYR H H 596 8.161 8.161 8.087 0.074 18909 6558 1 17 . 1 1 597 597 LYS N N 597 117.932 117.932 119.149 -1.217 18909 6559 1 17 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.539 0.044 18909 6560 1 17 . 1 1 597 597 LYS C C 597 178.941 178.941 178.431 0.510 18909 6561 1 17 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.866 -0.324 18909 6562 1 17 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.178 -0.176 18909 6563 1 17 . 1 1 597 597 LYS H H 597 7.709 7.709 8.105 -0.396 18909 6564 1 17 . 1 1 598 598 GLU N N 598 118.153 118.153 118.641 -0.488 18909 6565 1 17 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.019 -0.152 18909 6566 1 17 . 1 1 598 598 GLU C C 598 179.389 179.389 179.355 0.034 18909 6567 1 17 . 1 1 598 598 GLU CA C 598 58.974 58.974 58.633 0.341 18909 6568 1 17 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.125 0.281 18909 6569 1 17 . 1 1 598 598 GLU H H 598 7.709 7.709 7.629 0.080 18909 6570 1 17 . 1 1 599 599 LEU N N 599 121.286 121.286 120.489 0.797 18909 6571 1 17 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.998 -0.015 18909 6572 1 17 . 1 1 599 599 LEU C C 599 179.658 179.658 179.228 0.430 18909 6573 1 17 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.947 -0.172 18909 6574 1 17 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.661 -0.311 18909 6575 1 17 . 1 1 599 599 LEU H H 599 8.044 8.044 8.150 -0.106 18909 6576 1 17 . 1 1 600 600 VAL N N 600 119.583 119.583 118.745 0.838 18909 6577 1 17 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.603 -0.117 18909 6578 1 17 . 1 1 600 600 VAL C C 600 178.899 178.899 177.704 1.195 18909 6579 1 17 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.156 -0.100 18909 6580 1 17 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.612 -0.042 18909 6581 1 17 . 1 1 600 600 VAL H H 600 7.998 7.998 8.071 -0.073 18909 6582 1 17 . 1 1 601 601 GLU N N 601 119.073 119.073 119.727 -0.654 18909 6583 1 17 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.021 -0.086 18909 6584 1 17 . 1 1 601 601 GLU C C 601 178.931 178.931 179.309 -0.378 18909 6585 1 17 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.148 -0.500 18909 6586 1 17 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.128 -0.091 18909 6587 1 17 . 1 1 601 601 GLU H H 601 7.795 7.795 8.210 -0.415 18909 6588 1 17 . 1 1 602 602 MET N N 602 119.771 119.771 118.985 0.786 18909 6589 1 17 . 1 1 602 602 MET HA H 602 4.153 4.153 4.162 -0.009 18909 6590 1 17 . 1 1 602 602 MET C C 602 178.353 178.353 178.578 -0.225 18909 6591 1 17 . 1 1 602 602 MET CA C 602 58.484 58.484 59.251 -0.767 18909 6592 1 17 . 1 1 602 602 MET CB C 602 32.433 32.433 32.752 -0.320 18909 6593 1 17 . 1 1 602 602 MET H H 602 7.910 7.910 7.860 0.050 18909 6594 1 17 . 1 1 603 603 VAL N N 603 120.332 120.332 120.818 -0.486 18909 6595 1 17 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.554 0.127 18909 6596 1 17 . 1 1 603 603 VAL C C 603 178.203 178.203 177.764 0.439 18909 6597 1 17 . 1 1 603 603 VAL CA C 603 65.588 65.588 67.240 -1.652 18909 6598 1 17 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.093 0.672 18909 6599 1 17 . 1 1 603 603 VAL H H 603 7.792 7.792 8.131 -0.339 18909 6600 1 17 . 1 1 604 604 LYS N N 604 121.047 121.047 119.462 1.585 18909 6601 1 17 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.979 -0.008 18909 6602 1 17 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.762 -0.895 18909 6603 1 17 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.122 0.621 18909 6604 1 17 . 1 1 604 604 LYS H H 604 7.855 7.855 8.139 -0.284 18909 6605 1 17 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.148 0.019 18909 6606 1 17 . 1 1 605 605 ALA C C 605 179.644 179.644 179.906 -0.262 18909 6607 1 17 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.143 -1.072 18909 6608 1 17 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.326 0.060 18909 6609 1 17 . 1 1 606 606 LYS N N 606 120.077 120.077 117.734 2.343 18909 6610 1 17 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.122 -0.030 18909 6611 1 17 . 1 1 606 606 LYS C C 606 178.218 178.218 178.786 -0.568 18909 6612 1 17 . 1 1 606 606 LYS CA C 606 57.993 57.993 58.815 -0.822 18909 6613 1 17 . 1 1 606 606 LYS CB C 606 32.333 32.333 31.969 0.364 18909 6614 1 17 . 1 1 606 606 LYS H H 606 7.967 7.967 7.986 -0.019 18909 6615 1 17 . 1 1 607 607 LYS N N 607 120.979 120.979 120.691 0.288 18909 6616 1 17 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.019 0.086 18909 6617 1 17 . 1 1 607 607 LYS C C 607 177.864 177.864 178.426 -0.562 18909 6618 1 17 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.506 -1.513 18909 6619 1 17 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.492 0.004 18909 6620 1 17 . 1 1 607 607 LYS H H 607 8.013 8.013 8.031 -0.018 18909 6621 1 17 . 1 1 608 608 ALA N N 608 122.801 122.801 120.589 2.212 18909 6622 1 17 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.010 0.150 18909 6623 1 17 . 1 1 608 608 ALA C C 608 179.035 179.035 179.256 -0.221 18909 6624 1 17 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.937 -1.193 18909 6625 1 17 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.248 0.192 18909 6626 1 17 . 1 1 608 608 ALA H H 608 8.034 8.034 7.876 0.158 18909 6627 1 17 . 1 1 609 609 ALA N N 609 121.524 121.524 121.184 0.340 18909 6628 1 17 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.956 0.238 18909 6629 1 17 . 1 1 609 609 ALA C C 609 179.062 179.062 179.966 -0.904 18909 6630 1 17 . 1 1 609 609 ALA CA C 609 53.635 53.635 55.082 -1.447 18909 6631 1 17 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.105 0.390 18909 6632 1 17 . 1 1 609 609 ALA H H 609 7.930 7.930 8.014 -0.084 18909 6633 1 17 . 1 1 610 610 GLN N N 610 118.289 118.289 117.227 1.062 18909 6634 1 17 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.036 0.113 18909 6635 1 17 . 1 1 610 610 GLN C C 610 177.230 177.230 178.763 -1.533 18909 6636 1 17 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.373 -1.333 18909 6637 1 17 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.330 0.598 18909 6638 1 17 . 1 1 610 610 GLN H H 610 7.996 7.996 7.968 0.028 18909 6639 1 17 . 1 1 611 611 GLU N N 611 120.690 120.690 120.055 0.635 18909 6640 1 17 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.057 0.041 18909 6641 1 17 . 1 1 611 611 GLU C C 611 177.237 177.237 178.981 -1.744 18909 6642 1 17 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.129 -1.354 18909 6643 1 17 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.593 0.261 18909 6644 1 17 . 1 1 611 611 GLU H H 611 8.156 8.156 7.896 0.260 18909 6645 1 17 . 1 1 612 612 GLN N N 612 119.771 119.771 117.171 2.600 18909 6646 1 17 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.189 -0.003 18909 6647 1 17 . 1 1 612 612 GLN C C 612 176.949 176.949 178.630 -1.681 18909 6648 1 17 . 1 1 612 612 GLN CA C 612 56.945 56.945 57.723 -0.778 18909 6649 1 17 . 1 1 612 612 GLN CB C 612 28.887 28.887 29.036 -0.149 18909 6650 1 17 . 1 1 612 612 GLN H H 612 8.041 8.041 7.813 0.228 18909 6651 1 17 . 1 1 613 613 VAL N N 613 120.724 120.724 118.300 2.424 18909 6652 1 17 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.809 0.092 18909 6653 1 17 . 1 1 613 613 VAL C C 613 177.118 177.118 178.382 -1.264 18909 6654 1 17 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.105 -2.391 18909 6655 1 17 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.733 0.419 18909 6656 1 17 . 1 1 613 613 VAL H H 613 7.857 7.857 8.032 -0.175 18909 6657 1 17 . 1 1 614 614 LEU N N 614 124.095 124.095 117.743 6.352 18909 6658 1 17 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.243 -0.042 18909 6659 1 17 . 1 1 614 614 LEU C C 614 177.918 177.918 177.659 0.259 18909 6660 1 17 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.628 -1.596 18909 6661 1 17 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.137 0.948 18909 6662 1 17 . 1 1 614 614 LEU H H 614 8.105 8.105 7.849 0.256 18909 6663 1 17 . 1 1 615 615 ASN N N 615 118.783 118.783 117.795 0.988 18909 6664 1 17 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.474 0.074 18909 6665 1 17 . 1 1 615 615 ASN C C 615 175.745 175.745 176.944 -1.199 18909 6666 1 17 . 1 1 615 615 ASN CA C 615 54.125 54.125 55.578 -1.454 18909 6667 1 17 . 1 1 615 615 ASN CB C 615 38.587 38.587 37.439 1.148 18909 6668 1 17 . 1 1 615 615 ASN H H 615 8.282 8.282 7.801 0.481 18909 6669 1 17 . 1 1 616 616 ALA N N 616 123.857 123.857 122.565 1.292 18909 6670 1 17 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.367 -0.144 18909 6671 1 17 . 1 1 616 616 ALA C C 616 178.327 178.327 178.871 -0.544 18909 6672 1 17 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.807 -1.527 18909 6673 1 17 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.608 0.268 18909 6674 1 17 . 1 1 616 616 ALA H H 616 8.098 8.098 7.555 0.543 18909 6675 1 17 . 1 1 617 617 SER N N 617 114.101 114.101 113.128 0.973 18909 6676 1 17 . 1 1 617 617 SER HA H 617 4.337 4.337 4.305 0.032 18909 6677 1 17 . 1 1 617 617 SER C C 617 178.463 178.463 176.047 2.416 18909 6678 1 17 . 1 1 617 617 SER CA C 617 58.865 58.865 60.632 -1.766 18909 6679 1 17 . 1 1 617 617 SER CB C 617 63.659 63.659 62.849 0.810 18909 6680 1 17 . 1 1 617 617 SER H H 617 8.098 8.098 7.497 0.601 18909 6681 1 17 . 1 1 618 618 ARG N N 618 122.410 122.410 122.414 -0.004 18909 6682 1 17 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.275 -0.008 18909 6683 1 17 . 1 1 618 618 ARG C C 618 175.902 175.902 176.164 -0.262 18909 6684 1 17 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.852 -0.657 18909 6685 1 17 . 1 1 618 618 ARG CB C 618 30.604 30.604 31.164 -0.560 18909 6686 1 17 . 1 1 618 618 ARG H H 618 8.012 8.012 7.782 0.230 18909 6687 1 17 . 1 1 619 619 ALA N N 619 124.555 124.555 122.676 1.879 18909 6688 1 17 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.612 -0.384 18909 6689 1 17 . 1 1 619 619 ALA C C 619 177.455 177.455 176.530 0.925 18909 6690 1 17 . 1 1 619 619 ALA CA C 619 52.491 52.491 51.928 0.563 18909 6691 1 17 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.953 -0.750 18909 6692 1 17 . 1 1 619 619 ALA H H 619 8.039 8.039 7.782 0.257 18909 6693 1 17 . 1 1 620 620 LYS N N 620 121.286 121.286 123.592 -2.306 18909 6694 1 17 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.344 -0.111 18909 6695 1 17 . 1 1 620 620 LYS C C 620 175.548 175.548 176.999 -1.451 18909 6696 1 17 . 1 1 620 620 LYS CA C 620 56.304 56.304 57.428 -1.123 18909 6697 1 17 . 1 1 620 620 LYS CB C 620 32.974 32.974 32.558 0.416 18909 6698 1 17 . 1 1 620 620 LYS H H 620 8.139 8.139 8.544 -0.405 18909 6699 1 18 . 1 1 552 552 THR N N 552 120.945 120.945 120.612 0.333 18909 6700 1 18 . 1 1 552 552 THR HA H 552 4.505 4.505 4.647 -0.142 18909 6701 1 18 . 1 1 552 552 THR CA C 552 59.439 59.439 60.106 -0.667 18909 6702 1 18 . 1 1 552 552 THR CB C 552 69.599 69.599 69.420 0.179 18909 6703 1 18 . 1 1 552 552 THR H H 552 8.265 8.265 8.009 0.256 18909 6704 1 18 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.656 -0.171 18909 6705 1 18 . 1 1 553 553 PRO C C 553 176.938 176.938 176.516 0.422 18909 6706 1 18 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.771 0.343 18909 6707 1 18 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.309 -0.125 18909 6708 1 18 . 1 1 554 554 TRP N N 554 124.095 124.095 124.387 -0.292 18909 6709 1 18 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.617 -0.276 18909 6710 1 18 . 1 1 554 554 TRP C C 554 178.191 178.191 177.529 0.662 18909 6711 1 18 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.120 1.364 18909 6712 1 18 . 1 1 554 554 TRP CB C 554 28.356 28.356 29.170 -0.814 18909 6713 1 18 . 1 1 554 554 TRP H H 554 8.989 8.989 8.543 0.446 18909 6714 1 18 . 1 1 555 555 THR N N 555 115.804 115.804 117.409 -1.605 18909 6715 1 18 . 1 1 555 555 THR HA H 555 4.653 4.653 4.544 0.109 18909 6716 1 18 . 1 1 555 555 THR C C 555 176.011 176.011 176.057 -0.046 18909 6717 1 18 . 1 1 555 555 THR CA C 555 60.145 60.145 61.382 -1.236 18909 6718 1 18 . 1 1 555 555 THR CB C 555 71.749 71.749 70.202 1.547 18909 6719 1 18 . 1 1 555 555 THR H H 555 8.800 8.800 8.851 -0.051 18909 6720 1 18 . 1 1 556 556 THR N N 556 116.791 116.791 116.522 0.269 18909 6721 1 18 . 1 1 556 556 THR HA H 556 3.934 3.934 4.011 -0.077 18909 6722 1 18 . 1 1 556 556 THR C C 556 176.992 176.992 176.710 0.282 18909 6723 1 18 . 1 1 556 556 THR CA C 556 66.329 66.329 67.460 -1.131 18909 6724 1 18 . 1 1 556 556 THR CB C 556 68.616 68.616 68.540 0.076 18909 6725 1 18 . 1 1 556 556 THR H H 556 8.866 8.866 8.539 0.327 18909 6726 1 18 . 1 1 557 557 GLU N N 557 121.303 121.303 120.432 0.871 18909 6727 1 18 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.041 -0.035 18909 6728 1 18 . 1 1 557 557 GLU C C 557 179.310 179.310 178.835 0.475 18909 6729 1 18 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.370 0.856 18909 6730 1 18 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.946 0.209 18909 6731 1 18 . 1 1 557 557 GLU H H 557 8.538 8.538 8.888 -0.350 18909 6732 1 18 . 1 1 558 558 GLU N N 558 119.737 119.737 120.192 -0.455 18909 6733 1 18 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.008 -0.093 18909 6734 1 18 . 1 1 558 558 GLU C C 558 178.844 178.844 179.112 -0.268 18909 6735 1 18 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.182 0.827 18909 6736 1 18 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.459 1.975 18909 6737 1 18 . 1 1 558 558 GLU H H 558 7.831 7.831 7.690 0.141 18909 6738 1 18 . 1 1 559 559 GLN N N 559 119.328 119.328 119.887 -0.559 18909 6739 1 18 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.159 -0.042 18909 6740 1 18 . 1 1 559 559 GLN C C 559 178.155 178.155 178.258 -0.103 18909 6741 1 18 . 1 1 559 559 GLN CA C 559 59.355 59.355 59.262 0.093 18909 6742 1 18 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.722 -0.737 18909 6743 1 18 . 1 1 559 559 GLN H H 559 8.608 8.608 8.319 0.289 18909 6744 1 18 . 1 1 560 560 LYS N N 560 119.311 119.311 119.983 -0.672 18909 6745 1 18 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.129 -0.024 18909 6746 1 18 . 1 1 560 560 LYS C C 560 179.880 179.880 179.353 0.527 18909 6747 1 18 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.394 0.343 18909 6748 1 18 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.313 -0.252 18909 6749 1 18 . 1 1 560 560 LYS H H 560 8.000 8.000 7.795 0.205 18909 6750 1 18 . 1 1 561 561 LEU N N 561 120.026 120.026 120.179 -0.153 18909 6751 1 18 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.407 -0.281 18909 6752 1 18 . 1 1 561 561 LEU C C 561 180.452 180.452 179.505 0.947 18909 6753 1 18 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.473 0.847 18909 6754 1 18 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.783 0.030 18909 6755 1 18 . 1 1 561 561 LEU H H 561 7.814 7.814 8.191 -0.377 18909 6756 1 18 . 1 1 562 562 LEU N N 562 122.427 122.427 120.517 1.910 18909 6757 1 18 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.163 -0.167 18909 6758 1 18 . 1 1 562 562 LEU C C 562 177.428 177.428 178.364 -0.936 18909 6759 1 18 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.211 0.218 18909 6760 1 18 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.810 0.057 18909 6761 1 18 . 1 1 562 562 LEU H H 562 8.374 8.374 7.917 0.457 18909 6762 1 18 . 1 1 563 563 GLU N N 563 117.574 117.574 118.485 -0.911 18909 6763 1 18 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.906 -0.067 18909 6764 1 18 . 1 1 563 563 GLU C C 563 179.907 179.907 179.189 0.718 18909 6765 1 18 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.656 0.489 18909 6766 1 18 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.112 0.293 18909 6767 1 18 . 1 1 563 563 GLU H H 563 8.541 8.541 8.356 0.185 18909 6768 1 18 . 1 1 564 564 GLN N N 564 117.659 117.659 117.628 0.031 18909 6769 1 18 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.022 -0.019 18909 6770 1 18 . 1 1 564 564 GLN C C 564 178.490 178.490 178.068 0.422 18909 6771 1 18 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.701 -0.326 18909 6772 1 18 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.229 0.278 18909 6773 1 18 . 1 1 564 564 GLN H H 564 8.098 8.098 8.144 -0.046 18909 6774 1 18 . 1 1 565 565 ALA N N 565 125.117 125.117 122.931 2.186 18909 6775 1 18 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.976 0.117 18909 6776 1 18 . 1 1 565 565 ALA C C 565 178.681 178.681 179.571 -0.890 18909 6777 1 18 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.611 0.713 18909 6778 1 18 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.374 0.938 18909 6779 1 18 . 1 1 565 565 ALA H H 565 8.270 8.270 7.595 0.675 18909 6780 1 18 . 1 1 566 566 LEU N N 566 117.217 117.217 117.623 -0.406 18909 6781 1 18 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.999 -0.418 18909 6782 1 18 . 1 1 566 566 LEU C C 566 178.409 178.409 179.285 -0.876 18909 6783 1 18 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.780 0.777 18909 6784 1 18 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.490 0.554 18909 6785 1 18 . 1 1 566 566 LEU H H 566 8.170 8.170 8.132 0.038 18909 6786 1 18 . 1 1 567 567 LYS N N 567 115.429 115.429 119.476 -4.047 18909 6787 1 18 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.179 -0.251 18909 6788 1 18 . 1 1 567 567 LYS C C 567 177.809 177.809 178.341 -0.532 18909 6789 1 18 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.406 -0.740 18909 6790 1 18 . 1 1 567 567 LYS CB C 567 32.714 32.714 31.934 0.780 18909 6791 1 18 . 1 1 567 567 LYS H H 567 6.960 6.960 7.618 -0.658 18909 6792 1 18 . 1 1 568 568 THR N N 568 117.847 117.847 113.609 4.238 18909 6793 1 18 . 1 1 568 568 THR HA H 568 3.468 3.468 3.969 -0.501 18909 6794 1 18 . 1 1 568 568 THR C C 568 173.447 173.447 174.981 -1.534 18909 6795 1 18 . 1 1 568 568 THR CA C 568 65.620 65.620 64.810 0.810 18909 6796 1 18 . 1 1 568 568 THR CB C 568 69.080 69.080 69.169 -0.089 18909 6797 1 18 . 1 1 568 568 THR H H 568 8.024 8.024 7.608 0.416 18909 6798 1 18 . 1 1 569 569 TYR N N 569 118.409 118.409 120.487 -2.078 18909 6799 1 18 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.861 0.039 18909 6800 1 18 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.203 -0.403 18909 6801 1 18 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.115 0.150 18909 6802 1 18 . 1 1 569 569 TYR H H 569 7.690 7.690 7.487 0.203 18909 6803 1 18 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.284 0.223 18909 6804 1 18 . 1 1 570 570 PRO C C 570 177.728 177.728 178.042 -0.314 18909 6805 1 18 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.543 -0.246 18909 6806 1 18 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.409 1.163 18909 6807 1 18 . 1 1 571 571 VAL N N 571 120.230 120.230 121.616 -1.386 18909 6808 1 18 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.594 -0.127 18909 6809 1 18 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.998 0.216 18909 6810 1 18 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.926 0.109 18909 6811 1 18 . 1 1 571 571 VAL H H 571 8.601 8.601 8.552 0.049 18909 6812 1 18 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.745 -0.268 18909 6813 1 18 . 1 1 572 572 ASN C C 572 175.194 175.194 175.272 -0.078 18909 6814 1 18 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.599 0.581 18909 6815 1 18 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.280 -1.316 18909 6816 1 18 . 1 1 573 573 THR N N 573 119.345 119.345 118.876 0.469 18909 6817 1 18 . 1 1 573 573 THR HA H 573 4.255 4.255 4.535 -0.280 18909 6818 1 18 . 1 1 573 573 THR CA C 573 62.108 62.108 60.611 1.497 18909 6819 1 18 . 1 1 573 573 THR CB C 573 70.852 70.852 69.252 1.600 18909 6820 1 18 . 1 1 573 573 THR H H 573 7.721 7.721 7.358 0.363 18909 6821 1 18 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.531 -0.245 18909 6822 1 18 . 1 1 574 574 PRO C C 574 176.938 176.938 176.529 0.409 18909 6823 1 18 . 1 1 574 574 PRO CA C 574 63.387 63.387 63.891 -0.504 18909 6824 1 18 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.014 -0.294 18909 6825 1 18 . 1 1 575 575 GLU N N 575 118.953 118.953 117.822 1.131 18909 6826 1 18 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.529 -0.485 18909 6827 1 18 . 1 1 575 575 GLU C C 575 176.475 176.475 177.076 -0.601 18909 6828 1 18 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.534 1.424 18909 6829 1 18 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.907 -1.586 18909 6830 1 18 . 1 1 575 575 GLU H H 575 9.066 9.066 8.462 0.604 18909 6831 1 18 . 1 1 576 576 ARG N N 576 116.246 116.246 122.390 -6.144 18909 6832 1 18 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.766 -0.813 18909 6833 1 18 . 1 1 576 576 ARG C C 576 177.319 177.319 177.262 0.057 18909 6834 1 18 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.416 0.546 18909 6835 1 18 . 1 1 576 576 ARG CB C 576 31.107 31.107 29.983 1.124 18909 6836 1 18 . 1 1 576 576 ARG H H 576 7.048 7.048 7.344 -0.296 18909 6837 1 18 . 1 1 577 577 TRP N N 577 114.935 114.935 117.099 -2.164 18909 6838 1 18 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.438 -0.372 18909 6839 1 18 . 1 1 577 577 TRP C C 577 177.782 177.782 177.963 -0.181 18909 6840 1 18 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.284 1.406 18909 6841 1 18 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.753 -0.357 18909 6842 1 18 . 1 1 577 577 TRP H H 577 8.238 8.238 8.156 0.082 18909 6843 1 18 . 1 1 578 578 LYS N N 578 122.682 122.682 119.400 3.282 18909 6844 1 18 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.033 -0.057 18909 6845 1 18 . 1 1 578 578 LYS C C 578 178.872 178.872 178.655 0.217 18909 6846 1 18 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.430 0.361 18909 6847 1 18 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.448 1.266 18909 6848 1 18 . 1 1 578 578 LYS H H 578 7.686 7.686 8.157 -0.471 18909 6849 1 18 . 1 1 579 579 LYS N N 579 118.732 118.732 119.020 -0.288 18909 6850 1 18 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.157 -0.556 18909 6851 1 18 . 1 1 579 579 LYS C C 579 179.362 179.362 178.803 0.559 18909 6852 1 18 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.426 0.167 18909 6853 1 18 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.892 -2.323 18909 6854 1 18 . 1 1 579 579 LYS H H 579 7.375 7.375 7.375 -0.000 18909 6855 1 18 . 1 1 580 580 ILE N N 580 120.281 120.281 120.225 0.056 18909 6856 1 18 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.829 -0.418 18909 6857 1 18 . 1 1 580 580 ILE C C 580 176.747 176.747 177.655 -0.908 18909 6858 1 18 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.964 0.928 18909 6859 1 18 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.748 -0.131 18909 6860 1 18 . 1 1 580 580 ILE H H 580 8.206 8.206 7.834 0.372 18909 6861 1 18 . 1 1 581 581 ALA N N 581 119.004 119.004 122.089 -3.085 18909 6862 1 18 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.057 0.152 18909 6863 1 18 . 1 1 581 581 ALA C C 581 181.487 181.487 178.856 2.631 18909 6864 1 18 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.142 0.209 18909 6865 1 18 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.330 -1.143 18909 6866 1 18 . 1 1 581 581 ALA H H 581 7.944 7.944 7.804 0.140 18909 6867 1 18 . 1 1 582 582 GLU N N 582 117.557 117.557 117.306 0.251 18909 6868 1 18 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.202 -0.336 18909 6869 1 18 . 1 1 582 582 GLU C C 582 177.659 177.659 178.268 -0.609 18909 6870 1 18 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.165 0.448 18909 6871 1 18 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.855 -0.632 18909 6872 1 18 . 1 1 582 582 GLU H H 582 7.722 7.722 7.591 0.131 18909 6873 1 18 . 1 1 583 583 ALA N N 583 120.247 120.247 120.317 -0.070 18909 6874 1 18 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.318 0.012 18909 6875 1 18 . 1 1 583 583 ALA C C 583 176.311 176.311 177.478 -1.167 18909 6876 1 18 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.592 -1.059 18909 6877 1 18 . 1 1 583 583 ALA CB C 583 19.414 19.414 19.963 -0.549 18909 6878 1 18 . 1 1 583 583 ALA H H 583 7.486 7.486 7.797 -0.311 18909 6879 1 18 . 1 1 584 584 VAL N N 584 120.230 120.230 117.178 3.052 18909 6880 1 18 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.571 -0.149 18909 6881 1 18 . 1 1 584 584 VAL CA C 584 59.330 59.330 57.570 1.760 18909 6882 1 18 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.741 -1.060 18909 6883 1 18 . 1 1 584 584 VAL H H 584 7.486 7.486 7.596 -0.110 18909 6884 1 18 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.429 -0.194 18909 6885 1 18 . 1 1 585 585 PRO C C 585 178.000 178.000 177.752 0.248 18909 6886 1 18 . 1 1 585 585 PRO CA C 585 64.095 64.095 63.819 0.276 18909 6887 1 18 . 1 1 585 585 PRO CB C 585 31.666 31.666 31.729 -0.063 18909 6888 1 18 . 1 1 586 586 GLY N N 586 111.258 111.258 111.020 0.238 18909 6889 1 18 . 1 1 586 586 GLY C C 586 174.077 174.077 174.580 -0.503 18909 6890 1 18 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.198 0.020 18909 6891 1 18 . 1 1 586 586 GLY H H 586 8.470 8.470 8.544 -0.074 18909 6892 1 18 . 1 1 587 587 ARG N N 587 118.885 118.885 121.377 -2.492 18909 6893 1 18 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.453 0.435 18909 6894 1 18 . 1 1 587 587 ARG C C 587 175.875 175.875 175.844 0.031 18909 6895 1 18 . 1 1 587 587 ARG CA C 587 52.327 52.327 54.325 -1.998 18909 6896 1 18 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.745 1.615 18909 6897 1 18 . 1 1 587 587 ARG H H 587 7.588 7.588 7.575 0.013 18909 6898 1 18 . 1 1 588 588 THR N N 588 111.905 111.905 116.134 -4.229 18909 6899 1 18 . 1 1 588 588 THR HA H 588 4.543 4.543 4.477 0.066 18909 6900 1 18 . 1 1 588 588 THR C C 588 176.502 176.502 175.593 0.909 18909 6901 1 18 . 1 1 588 588 THR CA C 588 60.335 60.335 60.995 -0.659 18909 6902 1 18 . 1 1 588 588 THR CB C 588 72.376 72.376 70.332 2.044 18909 6903 1 18 . 1 1 588 588 THR H H 588 8.919 8.919 8.269 0.650 18909 6904 1 18 . 1 1 589 589 LYS N N 589 122.529 122.529 122.675 -0.146 18909 6905 1 18 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.108 -0.172 18909 6906 1 18 . 1 1 589 589 LYS C C 589 177.945 177.945 178.511 -0.566 18909 6907 1 18 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.499 1.682 18909 6908 1 18 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.916 0.281 18909 6909 1 18 . 1 1 589 589 LYS H H 589 9.076 9.076 8.817 0.259 18909 6910 1 18 . 1 1 590 590 LYS N N 590 118.443 118.443 118.416 0.027 18909 6911 1 18 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.966 -0.097 18909 6912 1 18 . 1 1 590 590 LYS C C 590 178.888 178.888 178.080 0.808 18909 6913 1 18 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.553 0.266 18909 6914 1 18 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.532 0.828 18909 6915 1 18 . 1 1 590 590 LYS H H 590 8.199 8.199 8.270 -0.071 18909 6916 1 18 . 1 1 591 591 ASP N N 591 120.281 120.281 120.402 -0.121 18909 6917 1 18 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.674 -0.333 18909 6918 1 18 . 1 1 591 591 ASP C C 591 179.771 179.771 178.545 1.226 18909 6919 1 18 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.665 -0.407 18909 6920 1 18 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.643 1.115 18909 6921 1 18 . 1 1 591 591 ASP H H 591 7.806 7.806 8.438 -0.632 18909 6922 1 18 . 1 1 592 592 CYS N N 592 118.153 118.153 119.200 -1.047 18909 6923 1 18 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.329 -0.013 18909 6924 1 18 . 1 1 592 592 CYS C C 592 175.773 175.773 176.703 -0.930 18909 6925 1 18 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.446 1.493 18909 6926 1 18 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.350 -0.302 18909 6927 1 18 . 1 1 592 592 CYS H H 592 8.551 8.551 8.164 0.387 18909 6928 1 18 . 1 1 593 593 MET N N 593 119.107 119.107 119.278 -0.171 18909 6929 1 18 . 1 1 593 593 MET HA H 593 3.011 3.011 3.702 -0.691 18909 6930 1 18 . 1 1 593 593 MET C C 593 178.256 178.256 178.252 0.004 18909 6931 1 18 . 1 1 593 593 MET CA C 593 59.546 59.546 59.099 0.447 18909 6932 1 18 . 1 1 593 593 MET CB C 593 33.099 33.099 31.994 1.105 18909 6933 1 18 . 1 1 593 593 MET H H 593 8.226 8.226 8.016 0.210 18909 6934 1 18 . 1 1 594 594 LYS N N 594 120.230 120.230 119.991 0.239 18909 6935 1 18 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.951 -0.070 18909 6936 1 18 . 1 1 594 594 LYS C C 594 178.396 178.396 179.177 -0.781 18909 6937 1 18 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.310 0.044 18909 6938 1 18 . 1 1 594 594 LYS CB C 594 32.520 32.520 31.862 0.658 18909 6939 1 18 . 1 1 594 594 LYS H H 594 7.947 7.947 8.011 -0.064 18909 6940 1 18 . 1 1 595 595 ARG N N 595 119.498 119.498 119.157 0.341 18909 6941 1 18 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.292 -0.429 18909 6942 1 18 . 1 1 595 595 ARG C C 595 177.728 177.728 178.888 -1.160 18909 6943 1 18 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.153 -1.195 18909 6944 1 18 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.331 0.101 18909 6945 1 18 . 1 1 595 595 ARG H H 595 7.964 7.964 7.835 0.129 18909 6946 1 18 . 1 1 596 596 TYR N N 596 118.375 118.375 120.524 -2.149 18909 6947 1 18 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.180 -0.103 18909 6948 1 18 . 1 1 596 596 TYR C C 596 176.072 176.072 177.646 -1.574 18909 6949 1 18 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.297 -0.077 18909 6950 1 18 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.389 0.808 18909 6951 1 18 . 1 1 596 596 TYR H H 596 8.161 8.161 8.010 0.151 18909 6952 1 18 . 1 1 597 597 LYS N N 597 117.932 117.932 119.340 -1.408 18909 6953 1 18 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.722 -0.139 18909 6954 1 18 . 1 1 597 597 LYS C C 597 178.941 178.941 178.667 0.274 18909 6955 1 18 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.671 -0.129 18909 6956 1 18 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.236 -0.234 18909 6957 1 18 . 1 1 597 597 LYS H H 597 7.709 7.709 8.130 -0.421 18909 6958 1 18 . 1 1 598 598 GLU N N 598 118.153 118.153 119.742 -1.589 18909 6959 1 18 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.975 -0.108 18909 6960 1 18 . 1 1 598 598 GLU C C 598 179.389 179.389 179.136 0.253 18909 6961 1 18 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.328 -0.354 18909 6962 1 18 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.425 -0.020 18909 6963 1 18 . 1 1 598 598 GLU H H 598 7.709 7.709 7.968 -0.259 18909 6964 1 18 . 1 1 599 599 LEU N N 599 121.286 121.286 119.630 1.656 18909 6965 1 18 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.965 0.018 18909 6966 1 18 . 1 1 599 599 LEU C C 599 179.658 179.658 178.755 0.903 18909 6967 1 18 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.883 -0.108 18909 6968 1 18 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.422 -0.072 18909 6969 1 18 . 1 1 599 599 LEU H H 599 8.044 8.044 7.673 0.371 18909 6970 1 18 . 1 1 600 600 VAL N N 600 119.583 119.583 118.290 1.293 18909 6971 1 18 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.597 -0.111 18909 6972 1 18 . 1 1 600 600 VAL C C 600 178.899 178.899 178.634 0.265 18909 6973 1 18 . 1 1 600 600 VAL CA C 600 66.056 66.056 65.943 0.113 18909 6974 1 18 . 1 1 600 600 VAL CB C 600 31.570 31.570 30.488 1.082 18909 6975 1 18 . 1 1 600 600 VAL H H 600 7.998 7.998 7.294 0.704 18909 6976 1 18 . 1 1 601 601 GLU N N 601 119.073 119.073 119.913 -0.840 18909 6977 1 18 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.033 -0.098 18909 6978 1 18 . 1 1 601 601 GLU C C 601 178.931 178.931 179.278 -0.347 18909 6979 1 18 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.224 -0.577 18909 6980 1 18 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.206 -0.169 18909 6981 1 18 . 1 1 601 601 GLU H H 601 7.795 7.795 8.125 -0.330 18909 6982 1 18 . 1 1 602 602 MET N N 602 119.771 119.771 118.298 1.473 18909 6983 1 18 . 1 1 602 602 MET HA H 602 4.153 4.153 4.162 -0.009 18909 6984 1 18 . 1 1 602 602 MET C C 602 178.353 178.353 178.649 -0.296 18909 6985 1 18 . 1 1 602 602 MET CA C 602 58.484 58.484 59.409 -0.925 18909 6986 1 18 . 1 1 602 602 MET CB C 602 32.433 32.433 32.836 -0.403 18909 6987 1 18 . 1 1 602 602 MET H H 602 7.910 7.910 8.174 -0.264 18909 6988 1 18 . 1 1 603 603 VAL N N 603 120.332 120.332 117.409 2.923 18909 6989 1 18 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.624 0.057 18909 6990 1 18 . 1 1 603 603 VAL C C 603 178.203 178.203 177.798 0.405 18909 6991 1 18 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.688 -1.100 18909 6992 1 18 . 1 1 603 603 VAL CB C 603 31.765 31.765 30.532 1.233 18909 6993 1 18 . 1 1 603 603 VAL H H 603 7.792 7.792 7.935 -0.143 18909 6994 1 18 . 1 1 604 604 LYS N N 604 121.047 121.047 120.192 0.855 18909 6995 1 18 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.013 -0.042 18909 6996 1 18 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.419 -0.552 18909 6997 1 18 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.072 0.672 18909 6998 1 18 . 1 1 604 604 LYS H H 604 7.855 7.855 7.563 0.292 18909 6999 1 18 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.077 0.089 18909 7000 1 18 . 1 1 605 605 ALA C C 605 179.644 179.644 179.642 0.002 18909 7001 1 18 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.239 -1.168 18909 7002 1 18 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.203 0.183 18909 7003 1 18 . 1 1 606 606 LYS N N 606 120.077 120.077 118.274 1.803 18909 7004 1 18 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.980 0.112 18909 7005 1 18 . 1 1 606 606 LYS C C 606 178.218 178.218 179.293 -1.075 18909 7006 1 18 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.471 -1.478 18909 7007 1 18 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.318 0.015 18909 7008 1 18 . 1 1 606 606 LYS H H 606 7.967 7.967 8.102 -0.135 18909 7009 1 18 . 1 1 607 607 LYS N N 607 120.979 120.979 119.783 1.196 18909 7010 1 18 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.011 0.094 18909 7011 1 18 . 1 1 607 607 LYS C C 607 177.864 177.864 178.838 -0.974 18909 7012 1 18 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.618 -1.625 18909 7013 1 18 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.373 0.123 18909 7014 1 18 . 1 1 607 607 LYS H H 607 8.013 8.013 7.839 0.174 18909 7015 1 18 . 1 1 608 608 ALA N N 608 122.801 122.801 120.912 1.889 18909 7016 1 18 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.018 0.142 18909 7017 1 18 . 1 1 608 608 ALA C C 608 179.035 179.035 179.314 -0.279 18909 7018 1 18 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.022 -1.278 18909 7019 1 18 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.265 0.175 18909 7020 1 18 . 1 1 608 608 ALA H H 608 8.034 8.034 7.801 0.233 18909 7021 1 18 . 1 1 609 609 ALA N N 609 121.524 121.524 120.378 1.146 18909 7022 1 18 . 1 1 609 609 ALA HA H 609 4.194 4.194 3.986 0.208 18909 7023 1 18 . 1 1 609 609 ALA C C 609 179.062 179.062 179.710 -0.648 18909 7024 1 18 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.949 -1.314 18909 7025 1 18 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.214 0.281 18909 7026 1 18 . 1 1 609 609 ALA H H 609 7.930 7.930 7.912 0.018 18909 7027 1 18 . 1 1 610 610 GLN N N 610 118.289 118.289 118.022 0.267 18909 7028 1 18 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.060 0.089 18909 7029 1 18 . 1 1 610 610 GLN C C 610 177.230 177.230 178.191 -0.961 18909 7030 1 18 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.487 -1.447 18909 7031 1 18 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.841 0.087 18909 7032 1 18 . 1 1 610 610 GLN H H 610 7.996 7.996 7.788 0.208 18909 7033 1 18 . 1 1 611 611 GLU N N 611 120.690 120.690 120.593 0.097 18909 7034 1 18 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.028 0.070 18909 7035 1 18 . 1 1 611 611 GLU C C 611 177.237 177.237 179.211 -1.974 18909 7036 1 18 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.414 -1.639 18909 7037 1 18 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.262 0.592 18909 7038 1 18 . 1 1 611 611 GLU H H 611 8.156 8.156 7.991 0.165 18909 7039 1 18 . 1 1 612 612 GLN N N 612 119.771 119.771 117.274 2.497 18909 7040 1 18 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.289 -0.103 18909 7041 1 18 . 1 1 612 612 GLN C C 612 176.949 176.949 178.842 -1.893 18909 7042 1 18 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.005 -1.060 18909 7043 1 18 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.551 0.336 18909 7044 1 18 . 1 1 612 612 GLN H H 612 8.041 8.041 7.678 0.363 18909 7045 1 18 . 1 1 613 613 VAL N N 613 120.724 120.724 119.281 1.443 18909 7046 1 18 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.728 0.173 18909 7047 1 18 . 1 1 613 613 VAL C C 613 177.118 177.118 177.536 -0.418 18909 7048 1 18 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.564 -1.850 18909 7049 1 18 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.641 0.510 18909 7050 1 18 . 1 1 613 613 VAL H H 613 7.857 7.857 7.361 0.496 18909 7051 1 18 . 1 1 614 614 LEU N N 614 124.095 124.095 119.588 4.507 18909 7052 1 18 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.229 -0.028 18909 7053 1 18 . 1 1 614 614 LEU C C 614 177.918 177.918 178.348 -0.430 18909 7054 1 18 . 1 1 614 614 LEU CA C 614 56.032 56.032 56.694 -0.662 18909 7055 1 18 . 1 1 614 614 LEU CB C 614 42.085 42.085 42.297 -0.212 18909 7056 1 18 . 1 1 614 614 LEU H H 614 8.105 8.105 7.737 0.368 18909 7057 1 18 . 1 1 615 615 ASN N N 615 118.783 118.783 118.743 0.040 18909 7058 1 18 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.410 0.138 18909 7059 1 18 . 1 1 615 615 ASN C C 615 175.745 175.745 177.426 -1.681 18909 7060 1 18 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.675 -2.550 18909 7061 1 18 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.144 0.443 18909 7062 1 18 . 1 1 615 615 ASN H H 615 8.282 8.282 8.534 -0.252 18909 7063 1 18 . 1 1 616 616 ALA N N 616 123.857 123.857 121.833 2.024 18909 7064 1 18 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.223 0.000 18909 7065 1 18 . 1 1 616 616 ALA C C 616 178.327 178.327 179.230 -0.903 18909 7066 1 18 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.326 -1.046 18909 7067 1 18 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.037 0.839 18909 7068 1 18 . 1 1 616 616 ALA H H 616 8.098 8.098 7.639 0.459 18909 7069 1 18 . 1 1 617 617 SER N N 617 114.101 114.101 114.343 -0.242 18909 7070 1 18 . 1 1 617 617 SER HA H 617 4.337 4.337 4.274 0.063 18909 7071 1 18 . 1 1 617 617 SER C C 617 178.463 178.463 175.674 2.789 18909 7072 1 18 . 1 1 617 617 SER CA C 617 58.865 58.865 60.801 -1.936 18909 7073 1 18 . 1 1 617 617 SER CB C 617 63.659 63.659 63.441 0.218 18909 7074 1 18 . 1 1 617 617 SER H H 617 8.098 8.098 7.676 0.422 18909 7075 1 18 . 1 1 618 618 ARG N N 618 122.410 122.410 118.968 3.442 18909 7076 1 18 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.610 -0.343 18909 7077 1 18 . 1 1 618 618 ARG C C 618 175.902 175.902 175.329 0.573 18909 7078 1 18 . 1 1 618 618 ARG CA C 618 56.195 56.195 54.019 2.176 18909 7079 1 18 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.238 0.366 18909 7080 1 18 . 1 1 618 618 ARG H H 618 8.012 8.012 7.588 0.424 18909 7081 1 18 . 1 1 619 619 ALA N N 619 124.555 124.555 124.397 0.158 18909 7082 1 18 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.237 -0.009 18909 7083 1 18 . 1 1 619 619 ALA C C 619 177.455 177.455 177.190 0.265 18909 7084 1 18 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.388 0.103 18909 7085 1 18 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.124 0.079 18909 7086 1 18 . 1 1 619 619 ALA H H 619 8.039 8.039 7.096 0.943 18909 7087 1 18 . 1 1 620 620 LYS N N 620 121.286 121.286 116.173 5.113 18909 7088 1 18 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.098 0.135 18909 7089 1 18 . 1 1 620 620 LYS C C 620 175.548 175.548 176.087 -0.539 18909 7090 1 18 . 1 1 620 620 LYS CA C 620 56.304 56.304 57.313 -1.010 18909 7091 1 18 . 1 1 620 620 LYS CB C 620 32.974 32.974 30.969 2.005 18909 7092 1 18 . 1 1 620 620 LYS H H 620 8.139 8.139 8.657 -0.518 18909 7093 1 19 . 1 1 552 552 THR N N 552 120.945 120.945 119.232 1.713 18909 7094 1 19 . 1 1 552 552 THR HA H 552 4.505 4.505 4.403 0.102 18909 7095 1 19 . 1 1 552 552 THR CA C 552 59.439 59.439 60.217 -0.778 18909 7096 1 19 . 1 1 552 552 THR CB C 552 69.599 69.599 69.280 0.319 18909 7097 1 19 . 1 1 552 552 THR H H 552 8.265 8.265 7.902 0.363 18909 7098 1 19 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.252 0.233 18909 7099 1 19 . 1 1 553 553 PRO C C 553 176.938 176.938 176.095 0.843 18909 7100 1 19 . 1 1 553 553 PRO CA C 553 63.114 63.114 61.956 1.158 18909 7101 1 19 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.407 -0.223 18909 7102 1 19 . 1 1 554 554 TRP N N 554 124.095 124.095 120.364 3.731 18909 7103 1 19 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.521 -0.179 18909 7104 1 19 . 1 1 554 554 TRP C C 554 178.191 178.191 176.681 1.510 18909 7105 1 19 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.593 0.891 18909 7106 1 19 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.509 -0.153 18909 7107 1 19 . 1 1 554 554 TRP H H 554 8.989 8.989 8.252 0.737 18909 7108 1 19 . 1 1 555 555 THR N N 555 115.804 115.804 117.657 -1.853 18909 7109 1 19 . 1 1 555 555 THR HA H 555 4.653 4.653 4.596 0.057 18909 7110 1 19 . 1 1 555 555 THR C C 555 176.011 176.011 175.589 0.422 18909 7111 1 19 . 1 1 555 555 THR CA C 555 60.145 60.145 60.916 -0.771 18909 7112 1 19 . 1 1 555 555 THR CB C 555 71.749 71.749 70.429 1.320 18909 7113 1 19 . 1 1 555 555 THR H H 555 8.800 8.800 8.062 0.738 18909 7114 1 19 . 1 1 556 556 THR N N 556 116.791 116.791 116.019 0.772 18909 7115 1 19 . 1 1 556 556 THR HA H 556 3.934 3.934 3.947 -0.013 18909 7116 1 19 . 1 1 556 556 THR C C 556 176.992 176.992 176.416 0.576 18909 7117 1 19 . 1 1 556 556 THR CA C 556 66.329 66.329 67.400 -1.071 18909 7118 1 19 . 1 1 556 556 THR CB C 556 68.616 68.616 68.584 0.032 18909 7119 1 19 . 1 1 556 556 THR H H 556 8.866 8.866 8.555 0.311 18909 7120 1 19 . 1 1 557 557 GLU N N 557 121.303 121.303 120.438 0.865 18909 7121 1 19 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.143 -0.137 18909 7122 1 19 . 1 1 557 557 GLU C C 557 179.310 179.310 178.932 0.378 18909 7123 1 19 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.357 0.869 18909 7124 1 19 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.701 0.454 18909 7125 1 19 . 1 1 557 557 GLU H H 557 8.538 8.538 8.794 -0.256 18909 7126 1 19 . 1 1 558 558 GLU N N 558 119.737 119.737 119.692 0.045 18909 7127 1 19 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.114 -0.199 18909 7128 1 19 . 1 1 558 558 GLU C C 558 178.844 178.844 179.473 -0.629 18909 7129 1 19 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.983 1.026 18909 7130 1 19 . 1 1 558 558 GLU CB C 558 31.434 31.434 28.970 2.464 18909 7131 1 19 . 1 1 558 558 GLU H H 558 7.831 7.831 7.895 -0.064 18909 7132 1 19 . 1 1 559 559 GLN N N 559 119.328 119.328 119.268 0.060 18909 7133 1 19 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.132 -0.015 18909 7134 1 19 . 1 1 559 559 GLN C C 559 178.155 178.155 178.069 0.086 18909 7135 1 19 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.590 0.765 18909 7136 1 19 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.592 -0.607 18909 7137 1 19 . 1 1 559 559 GLN H H 559 8.608 8.608 8.354 0.254 18909 7138 1 19 . 1 1 560 560 LYS N N 560 119.311 119.311 119.726 -0.415 18909 7139 1 19 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.185 -0.080 18909 7140 1 19 . 1 1 560 560 LYS C C 560 179.880 179.880 179.203 0.677 18909 7141 1 19 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.115 0.622 18909 7142 1 19 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.083 -0.022 18909 7143 1 19 . 1 1 560 560 LYS H H 560 8.000 8.000 7.690 0.310 18909 7144 1 19 . 1 1 561 561 LEU N N 561 120.026 120.026 121.192 -1.166 18909 7145 1 19 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.122 0.004 18909 7146 1 19 . 1 1 561 561 LEU C C 561 180.452 180.452 179.042 1.410 18909 7147 1 19 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.540 0.780 18909 7148 1 19 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.854 -0.041 18909 7149 1 19 . 1 1 561 561 LEU H H 561 7.814 7.814 8.223 -0.409 18909 7150 1 19 . 1 1 562 562 LEU N N 562 122.427 122.427 121.595 0.832 18909 7151 1 19 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.033 -0.037 18909 7152 1 19 . 1 1 562 562 LEU C C 562 177.428 177.428 178.657 -1.229 18909 7153 1 19 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.510 -0.081 18909 7154 1 19 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.367 0.500 18909 7155 1 19 . 1 1 562 562 LEU H H 562 8.374 8.374 7.972 0.402 18909 7156 1 19 . 1 1 563 563 GLU N N 563 117.574 117.574 117.309 0.265 18909 7157 1 19 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.894 -0.055 18909 7158 1 19 . 1 1 563 563 GLU C C 563 179.907 179.907 178.970 0.937 18909 7159 1 19 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.109 1.036 18909 7160 1 19 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.266 0.139 18909 7161 1 19 . 1 1 563 563 GLU H H 563 8.541 8.541 7.897 0.644 18909 7162 1 19 . 1 1 564 564 GLN N N 564 117.659 117.659 119.832 -2.173 18909 7163 1 19 . 1 1 564 564 GLN HA H 564 4.003 4.003 3.983 0.020 18909 7164 1 19 . 1 1 564 564 GLN C C 564 178.490 178.490 177.598 0.892 18909 7165 1 19 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.541 -0.166 18909 7166 1 19 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.086 0.421 18909 7167 1 19 . 1 1 564 564 GLN H H 564 8.098 8.098 7.918 0.180 18909 7168 1 19 . 1 1 565 565 ALA N N 565 125.117 125.117 121.596 3.521 18909 7169 1 19 . 1 1 565 565 ALA HA H 565 4.093 4.093 4.013 0.080 18909 7170 1 19 . 1 1 565 565 ALA C C 565 178.681 178.681 180.030 -1.349 18909 7171 1 19 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.712 0.612 18909 7172 1 19 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.181 1.131 18909 7173 1 19 . 1 1 565 565 ALA H H 565 8.270 8.270 7.785 0.485 18909 7174 1 19 . 1 1 566 566 LEU N N 566 117.217 117.217 117.396 -0.179 18909 7175 1 19 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.838 -0.257 18909 7176 1 19 . 1 1 566 566 LEU C C 566 178.409 178.409 179.086 -0.677 18909 7177 1 19 . 1 1 566 566 LEU CA C 566 57.557 57.557 56.969 0.588 18909 7178 1 19 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.416 0.627 18909 7179 1 19 . 1 1 566 566 LEU H H 566 8.170 8.170 7.783 0.387 18909 7180 1 19 . 1 1 567 567 LYS N N 567 115.429 115.429 119.981 -4.552 18909 7181 1 19 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.159 -0.231 18909 7182 1 19 . 1 1 567 567 LYS C C 567 177.809 177.809 178.135 -0.326 18909 7183 1 19 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.538 -0.873 18909 7184 1 19 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.758 -0.044 18909 7185 1 19 . 1 1 567 567 LYS H H 567 6.960 6.960 7.445 -0.485 18909 7186 1 19 . 1 1 568 568 THR N N 568 117.847 117.847 114.275 3.572 18909 7187 1 19 . 1 1 568 568 THR HA H 568 3.468 3.468 3.887 -0.419 18909 7188 1 19 . 1 1 568 568 THR C C 568 173.447 173.447 174.921 -1.474 18909 7189 1 19 . 1 1 568 568 THR CA C 568 65.620 65.620 64.989 0.631 18909 7190 1 19 . 1 1 568 568 THR CB C 568 69.080 69.080 69.087 -0.007 18909 7191 1 19 . 1 1 568 568 THR H H 568 8.024 8.024 7.787 0.237 18909 7192 1 19 . 1 1 569 569 TYR N N 569 118.409 118.409 120.411 -2.002 18909 7193 1 19 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.835 0.065 18909 7194 1 19 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.443 -0.643 18909 7195 1 19 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.597 -0.332 18909 7196 1 19 . 1 1 569 569 TYR H H 569 7.690 7.690 7.355 0.335 18909 7197 1 19 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.416 0.091 18909 7198 1 19 . 1 1 570 570 PRO C C 570 177.728 177.728 178.230 -0.502 18909 7199 1 19 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.124 0.173 18909 7200 1 19 . 1 1 570 570 PRO CB C 570 33.572 33.572 33.165 0.407 18909 7201 1 19 . 1 1 571 571 VAL N N 571 120.230 120.230 120.399 -0.169 18909 7202 1 19 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.493 -0.026 18909 7203 1 19 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.379 0.835 18909 7204 1 19 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.263 -0.228 18909 7205 1 19 . 1 1 571 571 VAL H H 571 8.601 8.601 8.533 0.068 18909 7206 1 19 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.665 -0.188 18909 7207 1 19 . 1 1 572 572 ASN C C 572 175.194 175.194 175.577 -0.383 18909 7208 1 19 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.196 -0.016 18909 7209 1 19 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.385 -1.421 18909 7210 1 19 . 1 1 573 573 THR N N 573 119.345 119.345 117.244 2.101 18909 7211 1 19 . 1 1 573 573 THR HA H 573 4.255 4.255 4.462 -0.207 18909 7212 1 19 . 1 1 573 573 THR CA C 573 62.108 62.108 61.406 0.702 18909 7213 1 19 . 1 1 573 573 THR CB C 573 70.852 70.852 69.205 1.647 18909 7214 1 19 . 1 1 573 573 THR H H 573 7.721 7.721 7.482 0.239 18909 7215 1 19 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.377 -0.091 18909 7216 1 19 . 1 1 574 574 PRO C C 574 176.938 176.938 177.135 -0.197 18909 7217 1 19 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.533 -1.146 18909 7218 1 19 . 1 1 574 574 PRO CB C 574 31.720 31.720 31.933 -0.213 18909 7219 1 19 . 1 1 575 575 GLU N N 575 118.953 118.953 118.370 0.583 18909 7220 1 19 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.458 -0.414 18909 7221 1 19 . 1 1 575 575 GLU C C 575 176.475 176.475 177.222 -0.747 18909 7222 1 19 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.442 1.516 18909 7223 1 19 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.322 -1.001 18909 7224 1 19 . 1 1 575 575 GLU H H 575 9.066 9.066 8.532 0.534 18909 7225 1 19 . 1 1 576 576 ARG N N 576 116.246 116.246 121.410 -5.164 18909 7226 1 19 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.881 -0.928 18909 7227 1 19 . 1 1 576 576 ARG C C 576 177.319 177.319 177.312 0.007 18909 7228 1 19 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.039 0.923 18909 7229 1 19 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.070 1.036 18909 7230 1 19 . 1 1 576 576 ARG H H 576 7.048 7.048 7.426 -0.378 18909 7231 1 19 . 1 1 577 577 TRP N N 577 114.935 114.935 118.250 -3.315 18909 7232 1 19 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.472 -0.406 18909 7233 1 19 . 1 1 577 577 TRP C C 577 177.782 177.782 178.319 -0.537 18909 7234 1 19 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.225 1.465 18909 7235 1 19 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.846 -0.450 18909 7236 1 19 . 1 1 577 577 TRP H H 577 8.238 8.238 8.221 0.017 18909 7237 1 19 . 1 1 578 578 LYS N N 578 122.682 122.682 118.943 3.739 18909 7238 1 19 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.050 -0.074 18909 7239 1 19 . 1 1 578 578 LYS C C 578 178.872 178.872 178.941 -0.069 18909 7240 1 19 . 1 1 578 578 LYS CA C 578 59.791 59.791 58.780 1.011 18909 7241 1 19 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.406 1.308 18909 7242 1 19 . 1 1 578 578 LYS H H 578 7.686 7.686 8.247 -0.561 18909 7243 1 19 . 1 1 579 579 LYS N N 579 118.732 118.732 118.995 -0.263 18909 7244 1 19 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.244 -0.643 18909 7245 1 19 . 1 1 579 579 LYS C C 579 179.362 179.362 178.754 0.608 18909 7246 1 19 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.111 0.482 18909 7247 1 19 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.844 -2.275 18909 7248 1 19 . 1 1 579 579 LYS H H 579 7.375 7.375 7.692 -0.317 18909 7249 1 19 . 1 1 580 580 ILE N N 580 120.281 120.281 120.188 0.093 18909 7250 1 19 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.826 -0.415 18909 7251 1 19 . 1 1 580 580 ILE C C 580 176.747 176.747 177.622 -0.875 18909 7252 1 19 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.707 1.185 18909 7253 1 19 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.698 -0.081 18909 7254 1 19 . 1 1 580 580 ILE H H 580 8.206 8.206 7.425 0.781 18909 7255 1 19 . 1 1 581 581 ALA N N 581 119.004 119.004 122.694 -3.690 18909 7256 1 19 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.062 0.147 18909 7257 1 19 . 1 1 581 581 ALA C C 581 181.487 181.487 178.900 2.587 18909 7258 1 19 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.229 0.122 18909 7259 1 19 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.329 -1.142 18909 7260 1 19 . 1 1 581 581 ALA H H 581 7.944 7.944 8.073 -0.129 18909 7261 1 19 . 1 1 582 582 GLU N N 582 117.557 117.557 117.554 0.003 18909 7262 1 19 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.118 -0.252 18909 7263 1 19 . 1 1 582 582 GLU C C 582 177.659 177.659 178.528 -0.869 18909 7264 1 19 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.356 0.257 18909 7265 1 19 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.710 -0.487 18909 7266 1 19 . 1 1 582 582 GLU H H 582 7.722 7.722 7.753 -0.031 18909 7267 1 19 . 1 1 583 583 ALA N N 583 120.247 120.247 120.536 -0.289 18909 7268 1 19 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.329 0.001 18909 7269 1 19 . 1 1 583 583 ALA C C 583 176.311 176.311 177.730 -1.419 18909 7270 1 19 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.569 -1.036 18909 7271 1 19 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.506 -1.093 18909 7272 1 19 . 1 1 583 583 ALA H H 583 7.486 7.486 7.609 -0.123 18909 7273 1 19 . 1 1 584 584 VAL N N 584 120.230 120.230 120.119 0.111 18909 7274 1 19 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.570 -0.148 18909 7275 1 19 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.641 0.689 18909 7276 1 19 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.865 -1.184 18909 7277 1 19 . 1 1 584 584 VAL H H 584 7.486 7.486 7.793 -0.307 18909 7278 1 19 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.667 -0.432 18909 7279 1 19 . 1 1 585 585 PRO C C 585 178.000 178.000 178.403 -0.403 18909 7280 1 19 . 1 1 585 585 PRO CA C 585 64.095 64.095 63.236 0.860 18909 7281 1 19 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.207 -0.541 18909 7282 1 19 . 1 1 586 586 GLY N N 586 111.258 111.258 110.697 0.561 18909 7283 1 19 . 1 1 586 586 GLY C C 586 174.077 174.077 174.372 -0.295 18909 7284 1 19 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.491 -0.273 18909 7285 1 19 . 1 1 586 586 GLY H H 586 8.470 8.470 8.607 -0.137 18909 7286 1 19 . 1 1 587 587 ARG N N 587 118.885 118.885 123.522 -4.637 18909 7287 1 19 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.509 0.379 18909 7288 1 19 . 1 1 587 587 ARG C C 587 175.875 175.875 176.365 -0.490 18909 7289 1 19 . 1 1 587 587 ARG CA C 587 52.327 52.327 54.264 -1.937 18909 7290 1 19 . 1 1 587 587 ARG CB C 587 32.360 32.360 29.974 2.385 18909 7291 1 19 . 1 1 587 587 ARG H H 587 7.588 7.588 7.762 -0.174 18909 7292 1 19 . 1 1 588 588 THR N N 588 111.905 111.905 116.504 -4.599 18909 7293 1 19 . 1 1 588 588 THR HA H 588 4.543 4.543 4.615 -0.072 18909 7294 1 19 . 1 1 588 588 THR C C 588 176.502 176.502 175.546 0.956 18909 7295 1 19 . 1 1 588 588 THR CA C 588 60.335 60.335 60.904 -0.569 18909 7296 1 19 . 1 1 588 588 THR CB C 588 72.376 72.376 70.614 1.762 18909 7297 1 19 . 1 1 588 588 THR H H 588 8.919 8.919 8.326 0.593 18909 7298 1 19 . 1 1 589 589 LYS N N 589 122.529 122.529 121.413 1.116 18909 7299 1 19 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.194 -0.258 18909 7300 1 19 . 1 1 589 589 LYS C C 589 177.945 177.945 178.536 -0.591 18909 7301 1 19 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.131 2.050 18909 7302 1 19 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.732 0.465 18909 7303 1 19 . 1 1 589 589 LYS H H 589 9.076 9.076 8.785 0.291 18909 7304 1 19 . 1 1 590 590 LYS N N 590 118.443 118.443 116.899 1.544 18909 7305 1 19 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.955 -0.086 18909 7306 1 19 . 1 1 590 590 LYS C C 590 178.888 178.888 177.869 1.019 18909 7307 1 19 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.046 0.773 18909 7308 1 19 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.882 0.478 18909 7309 1 19 . 1 1 590 590 LYS H H 590 8.199 8.199 8.160 0.039 18909 7310 1 19 . 1 1 591 591 ASP N N 591 120.281 120.281 121.251 -0.970 18909 7311 1 19 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.681 -0.340 18909 7312 1 19 . 1 1 591 591 ASP C C 591 179.771 179.771 178.650 1.121 18909 7313 1 19 . 1 1 591 591 ASP CA C 591 57.258 57.258 56.869 0.389 18909 7314 1 19 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.469 1.289 18909 7315 1 19 . 1 1 591 591 ASP H H 591 7.806 7.806 7.976 -0.170 18909 7316 1 19 . 1 1 592 592 CYS N N 592 118.153 118.153 119.291 -1.138 18909 7317 1 19 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.520 -0.204 18909 7318 1 19 . 1 1 592 592 CYS C C 592 175.773 175.773 176.880 -1.107 18909 7319 1 19 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.401 1.538 18909 7320 1 19 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.409 -0.361 18909 7321 1 19 . 1 1 592 592 CYS H H 592 8.551 8.551 8.006 0.545 18909 7322 1 19 . 1 1 593 593 MET N N 593 119.107 119.107 119.674 -0.567 18909 7323 1 19 . 1 1 593 593 MET HA H 593 3.011 3.011 4.053 -1.042 18909 7324 1 19 . 1 1 593 593 MET C C 593 178.256 178.256 178.187 0.069 18909 7325 1 19 . 1 1 593 593 MET CA C 593 59.546 59.546 59.388 0.158 18909 7326 1 19 . 1 1 593 593 MET CB C 593 33.099 33.099 32.050 1.049 18909 7327 1 19 . 1 1 593 593 MET H H 593 8.226 8.226 8.053 0.173 18909 7328 1 19 . 1 1 594 594 LYS N N 594 120.230 120.230 119.676 0.554 18909 7329 1 19 . 1 1 594 594 LYS HA H 594 3.881 3.881 4.031 -0.150 18909 7330 1 19 . 1 1 594 594 LYS C C 594 178.396 178.396 179.347 -0.951 18909 7331 1 19 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.073 0.282 18909 7332 1 19 . 1 1 594 594 LYS CB C 594 32.520 32.520 31.674 0.846 18909 7333 1 19 . 1 1 594 594 LYS H H 594 7.947 7.947 7.757 0.190 18909 7334 1 19 . 1 1 595 595 ARG N N 595 119.498 119.498 119.941 -0.443 18909 7335 1 19 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.428 -0.565 18909 7336 1 19 . 1 1 595 595 ARG C C 595 177.728 177.728 178.837 -1.109 18909 7337 1 19 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.177 -1.219 18909 7338 1 19 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.455 -0.023 18909 7339 1 19 . 1 1 595 595 ARG H H 595 7.964 7.964 7.921 0.043 18909 7340 1 19 . 1 1 596 596 TYR N N 596 118.375 118.375 120.630 -2.255 18909 7341 1 19 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.210 -0.133 18909 7342 1 19 . 1 1 596 596 TYR C C 596 176.072 176.072 177.361 -1.289 18909 7343 1 19 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.102 0.117 18909 7344 1 19 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.494 0.703 18909 7345 1 19 . 1 1 596 596 TYR H H 596 8.161 8.161 8.169 -0.008 18909 7346 1 19 . 1 1 597 597 LYS N N 597 117.932 117.932 119.637 -1.705 18909 7347 1 19 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.713 -0.130 18909 7348 1 19 . 1 1 597 597 LYS C C 597 178.941 178.941 178.661 0.280 18909 7349 1 19 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.927 -0.385 18909 7350 1 19 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.190 -0.188 18909 7351 1 19 . 1 1 597 597 LYS H H 597 7.709 7.709 8.138 -0.429 18909 7352 1 19 . 1 1 598 598 GLU N N 598 118.153 118.153 119.385 -1.232 18909 7353 1 19 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.999 -0.132 18909 7354 1 19 . 1 1 598 598 GLU C C 598 179.389 179.389 179.223 0.166 18909 7355 1 19 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.391 -0.417 18909 7356 1 19 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.531 -0.126 18909 7357 1 19 . 1 1 598 598 GLU H H 598 7.709 7.709 7.843 -0.134 18909 7358 1 19 . 1 1 599 599 LEU N N 599 121.286 121.286 119.547 1.739 18909 7359 1 19 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.950 0.033 18909 7360 1 19 . 1 1 599 599 LEU C C 599 179.658 179.658 179.049 0.609 18909 7361 1 19 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.787 -0.012 18909 7362 1 19 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.712 -0.362 18909 7363 1 19 . 1 1 599 599 LEU H H 599 8.044 8.044 7.925 0.119 18909 7364 1 19 . 1 1 600 600 VAL N N 600 119.583 119.583 119.036 0.547 18909 7365 1 19 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.431 0.055 18909 7366 1 19 . 1 1 600 600 VAL C C 600 178.899 178.899 178.043 0.856 18909 7367 1 19 . 1 1 600 600 VAL CA C 600 66.056 66.056 67.105 -1.049 18909 7368 1 19 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.173 0.397 18909 7369 1 19 . 1 1 600 600 VAL H H 600 7.998 7.998 7.844 0.154 18909 7370 1 19 . 1 1 601 601 GLU N N 601 119.073 119.073 118.946 0.127 18909 7371 1 19 . 1 1 601 601 GLU HA H 601 3.935 3.935 3.959 -0.024 18909 7372 1 19 . 1 1 601 601 GLU C C 601 178.931 178.931 179.281 -0.350 18909 7373 1 19 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.383 -0.736 18909 7374 1 19 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.517 -0.480 18909 7375 1 19 . 1 1 601 601 GLU H H 601 7.795 7.795 7.643 0.152 18909 7376 1 19 . 1 1 602 602 MET N N 602 119.771 119.771 118.096 1.675 18909 7377 1 19 . 1 1 602 602 MET HA H 602 4.153 4.153 4.196 -0.043 18909 7378 1 19 . 1 1 602 602 MET C C 602 178.353 178.353 178.493 -0.140 18909 7379 1 19 . 1 1 602 602 MET CA C 602 58.484 58.484 58.999 -0.515 18909 7380 1 19 . 1 1 602 602 MET CB C 602 32.433 32.433 32.623 -0.190 18909 7381 1 19 . 1 1 602 602 MET H H 602 7.910 7.910 8.118 -0.208 18909 7382 1 19 . 1 1 603 603 VAL N N 603 120.332 120.332 121.543 -1.211 18909 7383 1 19 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.618 0.063 18909 7384 1 19 . 1 1 603 603 VAL C C 603 178.203 178.203 177.850 0.353 18909 7385 1 19 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.778 -1.190 18909 7386 1 19 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.050 0.715 18909 7387 1 19 . 1 1 603 603 VAL H H 603 7.792 7.792 7.864 -0.072 18909 7388 1 19 . 1 1 604 604 LYS N N 604 121.047 121.047 120.125 0.922 18909 7389 1 19 . 1 1 604 604 LYS HA H 604 3.971 3.971 3.935 0.036 18909 7390 1 19 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.863 -0.996 18909 7391 1 19 . 1 1 604 604 LYS CB C 604 32.743 32.743 32.189 0.554 18909 7392 1 19 . 1 1 604 604 LYS H H 604 7.855 7.855 7.617 0.238 18909 7393 1 19 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.140 0.027 18909 7394 1 19 . 1 1 605 605 ALA C C 605 179.644 179.644 179.259 0.385 18909 7395 1 19 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.898 -0.827 18909 7396 1 19 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.170 0.216 18909 7397 1 19 . 1 1 606 606 LYS N N 606 120.077 120.077 119.277 0.800 18909 7398 1 19 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.991 0.101 18909 7399 1 19 . 1 1 606 606 LYS C C 606 178.218 178.218 178.957 -0.739 18909 7400 1 19 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.623 -1.630 18909 7401 1 19 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.484 -0.151 18909 7402 1 19 . 1 1 606 606 LYS H H 606 7.967 7.967 8.008 -0.041 18909 7403 1 19 . 1 1 607 607 LYS N N 607 120.979 120.979 118.390 2.589 18909 7404 1 19 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.104 0.001 18909 7405 1 19 . 1 1 607 607 LYS C C 607 177.864 177.864 179.085 -1.221 18909 7406 1 19 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.358 -0.365 18909 7407 1 19 . 1 1 607 607 LYS CB C 607 32.496 32.496 31.882 0.614 18909 7408 1 19 . 1 1 607 607 LYS H H 607 8.013 8.013 7.749 0.264 18909 7409 1 19 . 1 1 608 608 ALA N N 608 122.801 122.801 122.392 0.409 18909 7410 1 19 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.070 0.090 18909 7411 1 19 . 1 1 608 608 ALA C C 608 179.035 179.035 178.968 0.067 18909 7412 1 19 . 1 1 608 608 ALA CA C 608 53.744 53.744 55.074 -1.330 18909 7413 1 19 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.175 0.265 18909 7414 1 19 . 1 1 608 608 ALA H H 608 8.034 8.034 7.595 0.439 18909 7415 1 19 . 1 1 609 609 ALA N N 609 121.524 121.524 120.990 0.534 18909 7416 1 19 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.302 -0.108 18909 7417 1 19 . 1 1 609 609 ALA C C 609 179.062 179.062 179.553 -0.491 18909 7418 1 19 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.475 -0.840 18909 7419 1 19 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.458 0.037 18909 7420 1 19 . 1 1 609 609 ALA H H 609 7.930 7.930 8.045 -0.115 18909 7421 1 19 . 1 1 610 610 GLN N N 610 118.289 118.289 118.535 -0.246 18909 7422 1 19 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.038 0.111 18909 7423 1 19 . 1 1 610 610 GLN C C 610 177.230 177.230 178.108 -0.878 18909 7424 1 19 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.666 -1.627 18909 7425 1 19 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.333 0.595 18909 7426 1 19 . 1 1 610 610 GLN H H 610 7.996 7.996 8.044 -0.048 18909 7427 1 19 . 1 1 611 611 GLU N N 611 120.690 120.690 119.307 1.383 18909 7428 1 19 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.034 0.064 18909 7429 1 19 . 1 1 611 611 GLU C C 611 177.237 177.237 179.038 -1.801 18909 7430 1 19 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.607 -1.832 18909 7431 1 19 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.486 0.368 18909 7432 1 19 . 1 1 611 611 GLU H H 611 8.156 8.156 7.911 0.245 18909 7433 1 19 . 1 1 612 612 GLN N N 612 119.771 119.771 118.663 1.108 18909 7434 1 19 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.138 0.048 18909 7435 1 19 . 1 1 612 612 GLN C C 612 176.949 176.949 178.931 -1.982 18909 7436 1 19 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.508 -1.563 18909 7437 1 19 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.916 -0.029 18909 7438 1 19 . 1 1 612 612 GLN H H 612 8.041 8.041 7.653 0.388 18909 7439 1 19 . 1 1 613 613 VAL N N 613 120.724 120.724 121.215 -0.491 18909 7440 1 19 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.647 0.254 18909 7441 1 19 . 1 1 613 613 VAL C C 613 177.118 177.118 177.842 -0.724 18909 7442 1 19 . 1 1 613 613 VAL CA C 613 63.714 63.714 66.302 -2.588 18909 7443 1 19 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.550 0.601 18909 7444 1 19 . 1 1 613 613 VAL H H 613 7.857 7.857 7.943 -0.086 18909 7445 1 19 . 1 1 614 614 LEU N N 614 124.095 124.095 120.676 3.419 18909 7446 1 19 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.986 0.215 18909 7447 1 19 . 1 1 614 614 LEU C C 614 177.918 177.918 178.553 -0.635 18909 7448 1 19 . 1 1 614 614 LEU CA C 614 56.032 56.032 58.140 -2.108 18909 7449 1 19 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.066 1.019 18909 7450 1 19 . 1 1 614 614 LEU H H 614 8.105 8.105 8.088 0.017 18909 7451 1 19 . 1 1 615 615 ASN N N 615 118.783 118.783 118.048 0.735 18909 7452 1 19 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.488 0.060 18909 7453 1 19 . 1 1 615 615 ASN C C 615 175.745 175.745 177.727 -1.982 18909 7454 1 19 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.031 -1.906 18909 7455 1 19 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.360 0.227 18909 7456 1 19 . 1 1 615 615 ASN H H 615 8.282 8.282 8.233 0.049 18909 7457 1 19 . 1 1 616 616 ALA N N 616 123.857 123.857 121.630 2.227 18909 7458 1 19 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.075 0.148 18909 7459 1 19 . 1 1 616 616 ALA C C 616 178.327 178.327 179.066 -0.739 18909 7460 1 19 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.729 -1.449 18909 7461 1 19 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.321 0.555 18909 7462 1 19 . 1 1 616 616 ALA H H 616 8.098 8.098 7.868 0.230 18909 7463 1 19 . 1 1 617 617 SER N N 617 114.101 114.101 113.540 0.561 18909 7464 1 19 . 1 1 617 617 SER HA H 617 4.337 4.337 4.257 0.080 18909 7465 1 19 . 1 1 617 617 SER C C 617 178.463 178.463 176.918 1.545 18909 7466 1 19 . 1 1 617 617 SER CA C 617 58.865 58.865 60.843 -1.978 18909 7467 1 19 . 1 1 617 617 SER CB C 617 63.659 63.659 63.234 0.425 18909 7468 1 19 . 1 1 617 617 SER H H 617 8.098 8.098 7.676 0.422 18909 7469 1 19 . 1 1 618 618 ARG N N 618 122.410 122.410 119.175 3.235 18909 7470 1 19 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.326 -0.059 18909 7471 1 19 . 1 1 618 618 ARG C C 618 175.902 175.902 176.484 -0.582 18909 7472 1 19 . 1 1 618 618 ARG CA C 618 56.195 56.195 55.809 0.385 18909 7473 1 19 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.521 0.083 18909 7474 1 19 . 1 1 618 618 ARG H H 618 8.012 8.012 7.862 0.150 18909 7475 1 19 . 1 1 619 619 ALA N N 619 124.555 124.555 122.743 1.812 18909 7476 1 19 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.544 -0.316 18909 7477 1 19 . 1 1 619 619 ALA C C 619 177.455 177.455 175.703 1.752 18909 7478 1 19 . 1 1 619 619 ALA CA C 619 52.491 52.491 50.987 1.504 18909 7479 1 19 . 1 1 619 619 ALA CB C 619 19.203 19.203 19.243 -0.040 18909 7480 1 19 . 1 1 619 619 ALA H H 619 8.039 8.039 7.599 0.440 18909 7481 1 19 . 1 1 620 620 LYS N N 620 121.286 121.286 122.004 -0.718 18909 7482 1 19 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.271 -0.038 18909 7483 1 19 . 1 1 620 620 LYS C C 620 175.548 175.548 176.060 -0.512 18909 7484 1 19 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.715 0.589 18909 7485 1 19 . 1 1 620 620 LYS CB C 620 32.974 32.974 31.468 1.506 18909 7486 1 19 . 1 1 620 620 LYS H H 620 8.139 8.139 8.260 -0.121 18909 7487 1 20 . 1 1 552 552 THR N N 552 120.945 120.945 121.241 -0.296 18909 7488 1 20 . 1 1 552 552 THR HA H 552 4.505 4.505 4.451 0.054 18909 7489 1 20 . 1 1 552 552 THR CA C 552 59.439 59.439 58.339 1.100 18909 7490 1 20 . 1 1 552 552 THR CB C 552 69.599 69.599 68.989 0.610 18909 7491 1 20 . 1 1 552 552 THR H H 552 8.265 8.265 8.172 0.093 18909 7492 1 20 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.068 0.417 18909 7493 1 20 . 1 1 553 553 PRO C C 553 176.938 176.938 176.205 0.733 18909 7494 1 20 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.267 0.847 18909 7495 1 20 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.199 -0.015 18909 7496 1 20 . 1 1 554 554 TRP N N 554 124.095 124.095 124.340 -0.245 18909 7497 1 20 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.593 -0.252 18909 7498 1 20 . 1 1 554 554 TRP C C 554 178.191 178.191 176.592 1.599 18909 7499 1 20 . 1 1 554 554 TRP CA C 554 58.484 58.484 56.233 2.251 18909 7500 1 20 . 1 1 554 554 TRP CB C 554 28.356 28.356 27.964 0.392 18909 7501 1 20 . 1 1 554 554 TRP H H 554 8.989 8.989 8.199 0.790 18909 7502 1 20 . 1 1 555 555 THR N N 555 115.804 115.804 116.291 -0.487 18909 7503 1 20 . 1 1 555 555 THR HA H 555 4.653 4.653 4.577 0.076 18909 7504 1 20 . 1 1 555 555 THR C C 555 176.011 176.011 175.762 0.249 18909 7505 1 20 . 1 1 555 555 THR CA C 555 60.145 60.145 61.249 -1.104 18909 7506 1 20 . 1 1 555 555 THR CB C 555 71.749 71.749 70.492 1.258 18909 7507 1 20 . 1 1 555 555 THR H H 555 8.800 8.800 7.921 0.879 18909 7508 1 20 . 1 1 556 556 THR N N 556 116.791 116.791 117.097 -0.306 18909 7509 1 20 . 1 1 556 556 THR HA H 556 3.934 3.934 4.007 -0.073 18909 7510 1 20 . 1 1 556 556 THR C C 556 176.992 176.992 176.393 0.599 18909 7511 1 20 . 1 1 556 556 THR CA C 556 66.329 66.329 66.486 -0.157 18909 7512 1 20 . 1 1 556 556 THR CB C 556 68.616 68.616 68.694 -0.078 18909 7513 1 20 . 1 1 556 556 THR H H 556 8.866 8.866 8.607 0.259 18909 7514 1 20 . 1 1 557 557 GLU N N 557 121.303 121.303 119.911 1.392 18909 7515 1 20 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.122 -0.116 18909 7516 1 20 . 1 1 557 557 GLU C C 557 179.310 179.310 178.641 0.669 18909 7517 1 20 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.424 0.802 18909 7518 1 20 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.526 0.630 18909 7519 1 20 . 1 1 557 557 GLU H H 557 8.538 8.538 8.838 -0.300 18909 7520 1 20 . 1 1 558 558 GLU N N 558 119.737 119.737 119.689 0.048 18909 7521 1 20 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.275 -0.360 18909 7522 1 20 . 1 1 558 558 GLU C C 558 178.844 178.844 178.844 0.000 18909 7523 1 20 . 1 1 558 558 GLU CA C 558 60.009 60.009 58.950 1.059 18909 7524 1 20 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.220 2.214 18909 7525 1 20 . 1 1 558 558 GLU H H 558 7.831 7.831 7.833 -0.002 18909 7526 1 20 . 1 1 559 559 GLN N N 559 119.328 119.328 119.979 -0.651 18909 7527 1 20 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.138 -0.021 18909 7528 1 20 . 1 1 559 559 GLN C C 559 178.155 178.155 177.979 0.176 18909 7529 1 20 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.872 0.483 18909 7530 1 20 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.800 -0.815 18909 7531 1 20 . 1 1 559 559 GLN H H 559 8.608 8.608 8.351 0.257 18909 7532 1 20 . 1 1 560 560 LYS N N 560 119.311 119.311 119.001 0.310 18909 7533 1 20 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.143 -0.038 18909 7534 1 20 . 1 1 560 560 LYS C C 560 179.880 179.880 179.317 0.563 18909 7535 1 20 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.183 0.554 18909 7536 1 20 . 1 1 560 560 LYS CB C 560 32.061 32.061 31.827 0.234 18909 7537 1 20 . 1 1 560 560 LYS H H 560 8.000 8.000 7.843 0.157 18909 7538 1 20 . 1 1 561 561 LEU N N 561 120.026 120.026 120.172 -0.146 18909 7539 1 20 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.208 -0.082 18909 7540 1 20 . 1 1 561 561 LEU C C 561 180.452 180.452 178.601 1.851 18909 7541 1 20 . 1 1 561 561 LEU CA C 561 58.320 58.320 56.889 1.431 18909 7542 1 20 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.901 -0.088 18909 7543 1 20 . 1 1 561 561 LEU H H 561 7.814 7.814 7.438 0.376 18909 7544 1 20 . 1 1 562 562 LEU N N 562 122.427 122.427 121.934 0.493 18909 7545 1 20 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.023 -0.027 18909 7546 1 20 . 1 1 562 562 LEU C C 562 177.428 177.428 178.779 -1.351 18909 7547 1 20 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.513 -0.084 18909 7548 1 20 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.212 0.655 18909 7549 1 20 . 1 1 562 562 LEU H H 562 8.374 8.374 8.127 0.247 18909 7550 1 20 . 1 1 563 563 GLU N N 563 117.574 117.574 118.292 -0.718 18909 7551 1 20 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.931 -0.092 18909 7552 1 20 . 1 1 563 563 GLU C C 563 179.907 179.907 178.962 0.945 18909 7553 1 20 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.734 0.411 18909 7554 1 20 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.238 0.167 18909 7555 1 20 . 1 1 563 563 GLU H H 563 8.541 8.541 8.186 0.355 18909 7556 1 20 . 1 1 564 564 GLN N N 564 117.659 117.659 119.288 -1.629 18909 7557 1 20 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.020 -0.017 18909 7558 1 20 . 1 1 564 564 GLN C C 564 178.490 178.490 178.138 0.352 18909 7559 1 20 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.879 -0.504 18909 7560 1 20 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.612 -0.105 18909 7561 1 20 . 1 1 564 564 GLN H H 564 8.098 8.098 7.906 0.192 18909 7562 1 20 . 1 1 565 565 ALA N N 565 125.117 125.117 121.609 3.508 18909 7563 1 20 . 1 1 565 565 ALA HA H 565 4.093 4.093 4.075 0.018 18909 7564 1 20 . 1 1 565 565 ALA C C 565 178.681 178.681 179.835 -1.154 18909 7565 1 20 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.699 0.625 18909 7566 1 20 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.308 1.004 18909 7567 1 20 . 1 1 565 565 ALA H H 565 8.270 8.270 7.837 0.433 18909 7568 1 20 . 1 1 566 566 LEU N N 566 117.217 117.217 118.543 -1.326 18909 7569 1 20 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.934 -0.353 18909 7570 1 20 . 1 1 566 566 LEU C C 566 178.409 178.409 179.357 -0.948 18909 7571 1 20 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.031 0.526 18909 7572 1 20 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.536 0.508 18909 7573 1 20 . 1 1 566 566 LEU H H 566 8.170 8.170 7.973 0.197 18909 7574 1 20 . 1 1 567 567 LYS N N 567 115.429 115.429 119.159 -3.730 18909 7575 1 20 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.171 -0.243 18909 7576 1 20 . 1 1 567 567 LYS C C 567 177.809 177.809 178.426 -0.617 18909 7577 1 20 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.414 -0.748 18909 7578 1 20 . 1 1 567 567 LYS CB C 567 32.714 32.714 31.799 0.915 18909 7579 1 20 . 1 1 567 567 LYS H H 567 6.960 6.960 7.934 -0.974 18909 7580 1 20 . 1 1 568 568 THR N N 568 117.847 117.847 115.383 2.464 18909 7581 1 20 . 1 1 568 568 THR HA H 568 3.468 3.468 3.890 -0.422 18909 7582 1 20 . 1 1 568 568 THR C C 568 173.447 173.447 174.641 -1.194 18909 7583 1 20 . 1 1 568 568 THR CA C 568 65.620 65.620 65.287 0.333 18909 7584 1 20 . 1 1 568 568 THR CB C 568 69.080 69.080 69.200 -0.120 18909 7585 1 20 . 1 1 568 568 THR H H 568 8.024 8.024 7.791 0.233 18909 7586 1 20 . 1 1 569 569 TYR N N 569 118.409 118.409 121.089 -2.680 18909 7587 1 20 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.752 0.148 18909 7588 1 20 . 1 1 569 569 TYR CA C 569 53.800 53.800 55.227 -1.427 18909 7589 1 20 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.181 0.084 18909 7590 1 20 . 1 1 569 569 TYR H H 569 7.690 7.690 7.452 0.238 18909 7591 1 20 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.285 0.222 18909 7592 1 20 . 1 1 570 570 PRO C C 570 177.728 177.728 177.983 -0.255 18909 7593 1 20 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.660 -0.363 18909 7594 1 20 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.380 1.192 18909 7595 1 20 . 1 1 571 571 VAL N N 571 120.230 120.230 121.336 -1.106 18909 7596 1 20 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.620 -0.153 18909 7597 1 20 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.798 0.416 18909 7598 1 20 . 1 1 571 571 VAL CB C 571 32.035 32.035 31.886 0.149 18909 7599 1 20 . 1 1 571 571 VAL H H 571 8.601 8.601 8.542 0.059 18909 7600 1 20 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.715 -0.238 18909 7601 1 20 . 1 1 572 572 ASN C C 572 175.194 175.194 175.524 -0.330 18909 7602 1 20 . 1 1 572 572 ASN CA C 572 54.180 54.180 53.901 0.279 18909 7603 1 20 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.230 -1.266 18909 7604 1 20 . 1 1 573 573 THR N N 573 119.345 119.345 119.062 0.283 18909 7605 1 20 . 1 1 573 573 THR HA H 573 4.255 4.255 4.550 -0.295 18909 7606 1 20 . 1 1 573 573 THR CA C 573 62.108 62.108 61.747 0.361 18909 7607 1 20 . 1 1 573 573 THR CB C 573 70.852 70.852 68.875 1.977 18909 7608 1 20 . 1 1 573 573 THR H H 573 7.721 7.721 7.424 0.297 18909 7609 1 20 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.450 -0.164 18909 7610 1 20 . 1 1 574 574 PRO C C 574 176.938 176.938 177.165 -0.227 18909 7611 1 20 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.511 -1.124 18909 7612 1 20 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.073 -0.353 18909 7613 1 20 . 1 1 575 575 GLU N N 575 118.953 118.953 117.140 1.813 18909 7614 1 20 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.384 -0.340 18909 7615 1 20 . 1 1 575 575 GLU C C 575 176.475 176.475 177.575 -1.100 18909 7616 1 20 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.781 1.177 18909 7617 1 20 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.716 -1.395 18909 7618 1 20 . 1 1 575 575 GLU H H 575 9.066 9.066 8.516 0.550 18909 7619 1 20 . 1 1 576 576 ARG N N 576 116.246 116.246 121.389 -5.143 18909 7620 1 20 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.609 -0.656 18909 7621 1 20 . 1 1 576 576 ARG C C 576 177.319 177.319 177.264 0.055 18909 7622 1 20 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.216 0.746 18909 7623 1 20 . 1 1 576 576 ARG CB C 576 31.107 31.107 29.974 1.133 18909 7624 1 20 . 1 1 576 576 ARG H H 576 7.048 7.048 7.395 -0.347 18909 7625 1 20 . 1 1 577 577 TRP N N 577 114.935 114.935 117.419 -2.484 18909 7626 1 20 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.466 -0.400 18909 7627 1 20 . 1 1 577 577 TRP C C 577 177.782 177.782 178.539 -0.757 18909 7628 1 20 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.236 1.454 18909 7629 1 20 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.791 -0.395 18909 7630 1 20 . 1 1 577 577 TRP H H 577 8.238 8.238 8.051 0.187 18909 7631 1 20 . 1 1 578 578 LYS N N 578 122.682 122.682 119.001 3.681 18909 7632 1 20 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.042 -0.066 18909 7633 1 20 . 1 1 578 578 LYS C C 578 178.872 178.872 178.912 -0.040 18909 7634 1 20 . 1 1 578 578 LYS CA C 578 59.791 59.791 58.734 1.057 18909 7635 1 20 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.451 1.263 18909 7636 1 20 . 1 1 578 578 LYS H H 578 7.686 7.686 8.286 -0.600 18909 7637 1 20 . 1 1 579 579 LYS N N 579 118.732 118.732 119.264 -0.532 18909 7638 1 20 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.313 -0.712 18909 7639 1 20 . 1 1 579 579 LYS C C 579 179.362 179.362 179.067 0.295 18909 7640 1 20 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.294 0.299 18909 7641 1 20 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.925 -2.356 18909 7642 1 20 . 1 1 579 579 LYS H H 579 7.375 7.375 7.644 -0.269 18909 7643 1 20 . 1 1 580 580 ILE N N 580 120.281 120.281 120.013 0.268 18909 7644 1 20 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.871 -0.460 18909 7645 1 20 . 1 1 580 580 ILE C C 580 176.747 176.747 177.524 -0.777 18909 7646 1 20 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.496 1.396 18909 7647 1 20 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.799 -0.182 18909 7648 1 20 . 1 1 580 580 ILE H H 580 8.206 8.206 7.960 0.246 18909 7649 1 20 . 1 1 581 581 ALA N N 581 119.004 119.004 122.952 -3.948 18909 7650 1 20 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.083 0.126 18909 7651 1 20 . 1 1 581 581 ALA C C 581 181.487 181.487 178.907 2.580 18909 7652 1 20 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.134 0.217 18909 7653 1 20 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.340 -1.153 18909 7654 1 20 . 1 1 581 581 ALA H H 581 7.944 7.944 7.794 0.150 18909 7655 1 20 . 1 1 582 582 GLU N N 582 117.557 117.557 117.807 -0.250 18909 7656 1 20 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.133 -0.267 18909 7657 1 20 . 1 1 582 582 GLU C C 582 177.659 177.659 178.590 -0.931 18909 7658 1 20 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.328 0.285 18909 7659 1 20 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.750 -0.527 18909 7660 1 20 . 1 1 582 582 GLU H H 582 7.722 7.722 7.778 -0.056 18909 7661 1 20 . 1 1 583 583 ALA N N 583 120.247 120.247 120.594 -0.347 18909 7662 1 20 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.247 0.083 18909 7663 1 20 . 1 1 583 583 ALA C C 583 176.311 176.311 177.656 -1.345 18909 7664 1 20 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.664 -1.131 18909 7665 1 20 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.214 -0.800 18909 7666 1 20 . 1 1 583 583 ALA H H 583 7.486 7.486 7.620 -0.134 18909 7667 1 20 . 1 1 584 584 VAL N N 584 120.230 120.230 118.331 1.899 18909 7668 1 20 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.554 -0.132 18909 7669 1 20 . 1 1 584 584 VAL CA C 584 59.330 59.330 59.064 0.266 18909 7670 1 20 . 1 1 584 584 VAL CB C 584 31.681 31.681 33.041 -1.360 18909 7671 1 20 . 1 1 584 584 VAL H H 584 7.486 7.486 7.586 -0.100 18909 7672 1 20 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.708 -0.473 18909 7673 1 20 . 1 1 585 585 PRO C C 585 178.000 178.000 177.910 0.090 18909 7674 1 20 . 1 1 585 585 PRO CA C 585 64.095 64.095 63.317 0.778 18909 7675 1 20 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.250 -0.584 18909 7676 1 20 . 1 1 586 586 GLY N N 586 111.258 111.258 108.116 3.142 18909 7677 1 20 . 1 1 586 586 GLY C C 586 174.077 174.077 173.940 0.137 18909 7678 1 20 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.120 0.098 18909 7679 1 20 . 1 1 586 586 GLY H H 586 8.470 8.470 8.648 -0.178 18909 7680 1 20 . 1 1 587 587 ARG N N 587 118.885 118.885 119.532 -0.647 18909 7681 1 20 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.466 0.422 18909 7682 1 20 . 1 1 587 587 ARG C C 587 175.875 175.875 174.837 1.038 18909 7683 1 20 . 1 1 587 587 ARG CA C 587 52.327 52.327 53.174 -0.847 18909 7684 1 20 . 1 1 587 587 ARG CB C 587 32.360 32.360 32.318 0.042 18909 7685 1 20 . 1 1 587 587 ARG H H 587 7.588 7.588 7.520 0.068 18909 7686 1 20 . 1 1 588 588 THR N N 588 111.905 111.905 114.139 -2.234 18909 7687 1 20 . 1 1 588 588 THR HA H 588 4.543 4.543 4.531 0.012 18909 7688 1 20 . 1 1 588 588 THR C C 588 176.502 176.502 175.496 1.006 18909 7689 1 20 . 1 1 588 588 THR CA C 588 60.335 60.335 60.691 -0.356 18909 7690 1 20 . 1 1 588 588 THR CB C 588 72.376 72.376 70.349 2.027 18909 7691 1 20 . 1 1 588 588 THR H H 588 8.919 8.919 8.244 0.675 18909 7692 1 20 . 1 1 589 589 LYS N N 589 122.529 122.529 122.729 -0.200 18909 7693 1 20 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.141 -0.205 18909 7694 1 20 . 1 1 589 589 LYS C C 589 177.945 177.945 178.335 -0.390 18909 7695 1 20 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.903 1.278 18909 7696 1 20 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.855 0.342 18909 7697 1 20 . 1 1 589 589 LYS H H 589 9.076 9.076 8.755 0.321 18909 7698 1 20 . 1 1 590 590 LYS N N 590 118.443 118.443 117.224 1.219 18909 7699 1 20 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.998 -0.129 18909 7700 1 20 . 1 1 590 590 LYS C C 590 178.888 178.888 178.213 0.675 18909 7701 1 20 . 1 1 590 590 LYS CA C 590 59.819 59.819 58.989 0.830 18909 7702 1 20 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.861 0.499 18909 7703 1 20 . 1 1 590 590 LYS H H 590 8.199 8.199 8.171 0.028 18909 7704 1 20 . 1 1 591 591 ASP N N 591 120.281 120.281 121.589 -1.308 18909 7705 1 20 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.712 -0.371 18909 7706 1 20 . 1 1 591 591 ASP C C 591 179.771 179.771 178.733 1.038 18909 7707 1 20 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.543 -0.285 18909 7708 1 20 . 1 1 591 591 ASP CB C 591 41.758 41.758 41.000 0.758 18909 7709 1 20 . 1 1 591 591 ASP H H 591 7.806 7.806 7.754 0.052 18909 7710 1 20 . 1 1 592 592 CYS N N 592 118.153 118.153 119.398 -1.245 18909 7711 1 20 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.374 -0.058 18909 7712 1 20 . 1 1 592 592 CYS C C 592 175.773 175.773 176.940 -1.167 18909 7713 1 20 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.495 1.444 18909 7714 1 20 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.421 -0.373 18909 7715 1 20 . 1 1 592 592 CYS H H 592 8.551 8.551 8.117 0.434 18909 7716 1 20 . 1 1 593 593 MET N N 593 119.107 119.107 119.056 0.051 18909 7717 1 20 . 1 1 593 593 MET HA H 593 3.011 3.011 3.835 -0.824 18909 7718 1 20 . 1 1 593 593 MET C C 593 178.256 178.256 178.234 0.022 18909 7719 1 20 . 1 1 593 593 MET CA C 593 59.546 59.546 59.259 0.287 18909 7720 1 20 . 1 1 593 593 MET CB C 593 33.099 33.099 31.963 1.136 18909 7721 1 20 . 1 1 593 593 MET H H 593 8.226 8.226 8.117 0.109 18909 7722 1 20 . 1 1 594 594 LYS N N 594 120.230 120.230 119.572 0.658 18909 7723 1 20 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.989 -0.108 18909 7724 1 20 . 1 1 594 594 LYS C C 594 178.396 178.396 178.836 -0.440 18909 7725 1 20 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.441 -0.087 18909 7726 1 20 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.252 0.268 18909 7727 1 20 . 1 1 594 594 LYS H H 594 7.947 7.947 8.048 -0.101 18909 7728 1 20 . 1 1 595 595 ARG N N 595 119.498 119.498 119.278 0.220 18909 7729 1 20 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.019 -0.156 18909 7730 1 20 . 1 1 595 595 ARG C C 595 177.728 177.728 178.444 -0.716 18909 7731 1 20 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.308 -1.350 18909 7732 1 20 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.303 0.129 18909 7733 1 20 . 1 1 595 595 ARG H H 595 7.964 7.964 7.976 -0.012 18909 7734 1 20 . 1 1 596 596 TYR N N 596 118.375 118.375 120.701 -2.326 18909 7735 1 20 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.204 -0.127 18909 7736 1 20 . 1 1 596 596 TYR C C 596 176.072 176.072 177.302 -1.230 18909 7737 1 20 . 1 1 596 596 TYR CA C 596 61.219 61.219 60.857 0.362 18909 7738 1 20 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.246 0.951 18909 7739 1 20 . 1 1 596 596 TYR H H 596 8.161 8.161 8.266 -0.105 18909 7740 1 20 . 1 1 597 597 LYS N N 597 117.932 117.932 120.400 -2.468 18909 7741 1 20 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.786 -0.203 18909 7742 1 20 . 1 1 597 597 LYS C C 597 178.941 178.941 178.716 0.225 18909 7743 1 20 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.743 -0.201 18909 7744 1 20 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.325 -0.323 18909 7745 1 20 . 1 1 597 597 LYS H H 597 7.709 7.709 7.977 -0.268 18909 7746 1 20 . 1 1 598 598 GLU N N 598 118.153 118.153 119.001 -0.848 18909 7747 1 20 . 1 1 598 598 GLU HA H 598 3.867 3.867 3.974 -0.107 18909 7748 1 20 . 1 1 598 598 GLU C C 598 179.389 179.389 179.324 0.065 18909 7749 1 20 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.280 -0.306 18909 7750 1 20 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.213 0.192 18909 7751 1 20 . 1 1 598 598 GLU H H 598 7.709 7.709 7.847 -0.138 18909 7752 1 20 . 1 1 599 599 LEU N N 599 121.286 121.286 119.573 1.713 18909 7753 1 20 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.978 0.005 18909 7754 1 20 . 1 1 599 599 LEU C C 599 179.658 179.658 179.120 0.538 18909 7755 1 20 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.858 -0.083 18909 7756 1 20 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.737 -0.387 18909 7757 1 20 . 1 1 599 599 LEU H H 599 8.044 8.044 7.883 0.161 18909 7758 1 20 . 1 1 600 600 VAL N N 600 119.583 119.583 119.227 0.356 18909 7759 1 20 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.414 0.072 18909 7760 1 20 . 1 1 600 600 VAL C C 600 178.899 178.899 178.269 0.630 18909 7761 1 20 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.662 -0.606 18909 7762 1 20 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.314 0.256 18909 7763 1 20 . 1 1 600 600 VAL H H 600 7.998 7.998 7.539 0.459 18909 7764 1 20 . 1 1 601 601 GLU N N 601 119.073 119.073 119.335 -0.262 18909 7765 1 20 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.014 -0.079 18909 7766 1 20 . 1 1 601 601 GLU C C 601 178.931 178.931 179.168 -0.237 18909 7767 1 20 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.169 -0.522 18909 7768 1 20 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.067 -0.030 18909 7769 1 20 . 1 1 601 601 GLU H H 601 7.795 7.795 8.150 -0.355 18909 7770 1 20 . 1 1 602 602 MET N N 602 119.771 119.771 118.844 0.927 18909 7771 1 20 . 1 1 602 602 MET HA H 602 4.153 4.153 4.183 -0.030 18909 7772 1 20 . 1 1 602 602 MET C C 602 178.353 178.353 178.388 -0.035 18909 7773 1 20 . 1 1 602 602 MET CA C 602 58.484 58.484 59.258 -0.774 18909 7774 1 20 . 1 1 602 602 MET CB C 602 32.433 32.433 32.836 -0.403 18909 7775 1 20 . 1 1 602 602 MET H H 602 7.910 7.910 7.850 0.060 18909 7776 1 20 . 1 1 603 603 VAL N N 603 120.332 120.332 120.277 0.055 18909 7777 1 20 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.564 0.117 18909 7778 1 20 . 1 1 603 603 VAL C C 603 178.203 178.203 177.948 0.255 18909 7779 1 20 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.896 -1.308 18909 7780 1 20 . 1 1 603 603 VAL CB C 603 31.765 31.765 30.891 0.874 18909 7781 1 20 . 1 1 603 603 VAL H H 603 7.792 7.792 8.124 -0.332 18909 7782 1 20 . 1 1 604 604 LYS N N 604 121.047 121.047 118.783 2.264 18909 7783 1 20 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.046 -0.075 18909 7784 1 20 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.439 -0.572 18909 7785 1 20 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.799 0.944 18909 7786 1 20 . 1 1 604 604 LYS H H 604 7.855 7.855 8.133 -0.278 18909 7787 1 20 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.112 0.055 18909 7788 1 20 . 1 1 605 605 ALA C C 605 179.644 179.644 179.715 -0.071 18909 7789 1 20 . 1 1 605 605 ALA CA C 605 54.071 54.071 54.957 -0.886 18909 7790 1 20 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.240 0.146 18909 7791 1 20 . 1 1 606 606 LYS N N 606 120.077 120.077 118.613 1.464 18909 7792 1 20 . 1 1 606 606 LYS HA H 606 4.092 4.092 3.985 0.107 18909 7793 1 20 . 1 1 606 606 LYS C C 606 178.218 178.218 179.139 -0.921 18909 7794 1 20 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.401 -1.408 18909 7795 1 20 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.622 -0.289 18909 7796 1 20 . 1 1 606 606 LYS H H 606 7.967 7.967 7.983 -0.016 18909 7797 1 20 . 1 1 607 607 LYS N N 607 120.979 120.979 119.065 1.914 18909 7798 1 20 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.151 -0.046 18909 7799 1 20 . 1 1 607 607 LYS C C 607 177.864 177.864 178.493 -0.629 18909 7800 1 20 . 1 1 607 607 LYS CA C 607 57.993 57.993 58.900 -0.907 18909 7801 1 20 . 1 1 607 607 LYS CB C 607 32.496 32.496 31.685 0.811 18909 7802 1 20 . 1 1 607 607 LYS H H 607 8.013 8.013 7.956 0.057 18909 7803 1 20 . 1 1 608 608 ALA N N 608 122.801 122.801 121.617 1.184 18909 7804 1 20 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.163 -0.003 18909 7805 1 20 . 1 1 608 608 ALA C C 608 179.035 179.035 179.137 -0.102 18909 7806 1 20 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.540 -0.796 18909 7807 1 20 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.136 0.304 18909 7808 1 20 . 1 1 608 608 ALA H H 608 8.034 8.034 7.757 0.277 18909 7809 1 20 . 1 1 609 609 ALA N N 609 121.524 121.524 120.947 0.577 18909 7810 1 20 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.090 0.104 18909 7811 1 20 . 1 1 609 609 ALA C C 609 179.062 179.062 179.219 -0.157 18909 7812 1 20 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.476 -0.841 18909 7813 1 20 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.204 0.291 18909 7814 1 20 . 1 1 609 609 ALA H H 609 7.930 7.930 7.729 0.201 18909 7815 1 20 . 1 1 610 610 GLN N N 610 118.289 118.289 118.084 0.205 18909 7816 1 20 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.137 0.012 18909 7817 1 20 . 1 1 610 610 GLN C C 610 177.230 177.230 177.939 -0.709 18909 7818 1 20 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.408 -1.368 18909 7819 1 20 . 1 1 610 610 GLN CB C 610 28.928 28.928 29.029 -0.101 18909 7820 1 20 . 1 1 610 610 GLN H H 610 7.996 7.996 7.620 0.376 18909 7821 1 20 . 1 1 611 611 GLU N N 611 120.690 120.690 119.688 1.002 18909 7822 1 20 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.018 0.080 18909 7823 1 20 . 1 1 611 611 GLU C C 611 177.237 177.237 179.138 -1.901 18909 7824 1 20 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.759 -1.984 18909 7825 1 20 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.454 0.400 18909 7826 1 20 . 1 1 611 611 GLU H H 611 8.156 8.156 7.949 0.207 18909 7827 1 20 . 1 1 612 612 GLN N N 612 119.771 119.771 117.420 2.351 18909 7828 1 20 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.112 0.074 18909 7829 1 20 . 1 1 612 612 GLN C C 612 176.949 176.949 178.895 -1.946 18909 7830 1 20 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.833 -1.888 18909 7831 1 20 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.394 0.493 18909 7832 1 20 . 1 1 612 612 GLN H H 612 8.041 8.041 8.059 -0.018 18909 7833 1 20 . 1 1 613 613 VAL N N 613 120.724 120.724 119.609 1.115 18909 7834 1 20 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.817 0.084 18909 7835 1 20 . 1 1 613 613 VAL C C 613 177.118 177.118 178.073 -0.955 18909 7836 1 20 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.555 -1.841 18909 7837 1 20 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.497 0.654 18909 7838 1 20 . 1 1 613 613 VAL H H 613 7.857 7.857 7.684 0.173 18909 7839 1 20 . 1 1 614 614 LEU N N 614 124.095 124.095 121.611 2.484 18909 7840 1 20 . 1 1 614 614 LEU HA H 614 4.201 4.201 3.927 0.274 18909 7841 1 20 . 1 1 614 614 LEU C C 614 177.918 177.918 178.433 -0.515 18909 7842 1 20 . 1 1 614 614 LEU CA C 614 56.032 56.032 58.197 -2.165 18909 7843 1 20 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.771 0.314 18909 7844 1 20 . 1 1 614 614 LEU H H 614 8.105 8.105 8.093 0.012 18909 7845 1 20 . 1 1 615 615 ASN N N 615 118.783 118.783 117.518 1.265 18909 7846 1 20 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.377 0.171 18909 7847 1 20 . 1 1 615 615 ASN C C 615 175.745 175.745 177.318 -1.573 18909 7848 1 20 . 1 1 615 615 ASN CA C 615 54.125 54.125 55.953 -1.828 18909 7849 1 20 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.221 0.366 18909 7850 1 20 . 1 1 615 615 ASN H H 615 8.282 8.282 8.326 -0.044 18909 7851 1 20 . 1 1 616 616 ALA N N 616 123.857 123.857 121.774 2.083 18909 7852 1 20 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.182 0.041 18909 7853 1 20 . 1 1 616 616 ALA C C 616 178.327 178.327 179.290 -0.963 18909 7854 1 20 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.645 -1.365 18909 7855 1 20 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.284 0.592 18909 7856 1 20 . 1 1 616 616 ALA H H 616 8.098 8.098 7.574 0.524 18909 7857 1 20 . 1 1 617 617 SER N N 617 114.101 114.101 112.457 1.644 18909 7858 1 20 . 1 1 617 617 SER HA H 617 4.337 4.337 4.278 0.059 18909 7859 1 20 . 1 1 617 617 SER C C 617 178.463 178.463 176.479 1.984 18909 7860 1 20 . 1 1 617 617 SER CA C 617 58.865 58.865 60.577 -1.712 18909 7861 1 20 . 1 1 617 617 SER CB C 617 63.659 63.659 63.375 0.284 18909 7862 1 20 . 1 1 617 617 SER H H 617 8.098 8.098 7.692 0.406 18909 7863 1 20 . 1 1 618 618 ARG N N 618 122.410 122.410 120.342 2.068 18909 7864 1 20 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.245 0.022 18909 7865 1 20 . 1 1 618 618 ARG C C 618 175.902 175.902 176.762 -0.860 18909 7866 1 20 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.001 0.194 18909 7867 1 20 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.171 0.433 18909 7868 1 20 . 1 1 618 618 ARG H H 618 8.012 8.012 7.641 0.371 18909 7869 1 20 . 1 1 619 619 ALA N N 619 124.555 124.555 120.102 4.453 18909 7870 1 20 . 1 1 619 619 ALA HA H 619 4.228 4.228 3.945 0.283 18909 7871 1 20 . 1 1 619 619 ALA C C 619 177.455 177.455 176.595 0.860 18909 7872 1 20 . 1 1 619 619 ALA CA C 619 52.491 52.491 53.052 -0.561 18909 7873 1 20 . 1 1 619 619 ALA CB C 619 19.203 19.203 17.397 1.806 18909 7874 1 20 . 1 1 619 619 ALA H H 619 8.039 8.039 7.785 0.254 18909 7875 1 20 . 1 1 620 620 LYS N N 620 121.286 121.286 116.515 4.771 18909 7876 1 20 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.402 -0.169 18909 7877 1 20 . 1 1 620 620 LYS C C 620 175.548 175.548 174.413 1.135 18909 7878 1 20 . 1 1 620 620 LYS CA C 620 56.304 56.304 55.690 0.614 18909 7879 1 20 . 1 1 620 620 LYS CB C 620 32.974 32.974 34.877 -1.903 18909 7880 1 20 . 1 1 620 620 LYS H H 620 8.139 8.139 7.937 0.202 18909 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 63 1.856 -0.353 1.837 18909 2 1 1 "Average Difference" HA 70 0.256 0.093 0.240 18909 3 1 1 "Average Difference" C 63 0.967 0.128 0.966 18909 4 1 1 "Average Difference" CA 69 1.062 0.072 1.067 18909 5 1 1 "Average Difference" CB 68 0.874 -0.164 0.865 18909 6 1 1 "Average Difference" HN 63 0.342 -0.096 0.330 18909 7 1 2 "Average Difference" N 63 1.973 -0.336 1.960 18909 8 1 2 "Average Difference" HA 70 0.253 0.079 0.242 18909 9 1 2 "Average Difference" C 63 0.871 0.162 0.863 18909 10 1 2 "Average Difference" CA 69 1.087 0.143 1.086 18909 11 1 2 "Average Difference" CB 68 0.825 -0.172 0.813 18909 12 1 2 "Average Difference" HN 63 0.324 -0.094 0.312 18909 13 1 3 "Average Difference" N 63 1.897 -0.144 1.906 18909 14 1 3 "Average Difference" HA 70 0.245 0.085 0.232 18909 15 1 3 "Average Difference" C 63 0.922 0.117 0.922 18909 16 1 3 "Average Difference" CA 69 1.122 0.201 1.112 18909 17 1 3 "Average Difference" CB 68 0.817 -0.152 0.809 18909 18 1 3 "Average Difference" HN 63 0.288 -0.087 0.276 18909 19 1 4 "Average Difference" N 63 1.886 -0.328 1.872 18909 20 1 4 "Average Difference" HA 70 0.231 0.083 0.217 18909 21 1 4 "Average Difference" C 63 0.986 0.213 0.970 18909 22 1 4 "Average Difference" CA 69 0.991 0.184 0.981 18909 23 1 4 "Average Difference" CB 68 0.852 -0.218 0.829 18909 24 1 4 "Average Difference" HN 63 0.319 -0.101 0.306 18909 25 1 5 "Average Difference" N 63 1.983 -0.190 1.990 18909 26 1 5 "Average Difference" HA 70 0.260 0.088 0.247 18909 27 1 5 "Average Difference" C 63 0.975 0.158 0.970 18909 28 1 5 "Average Difference" CA 69 1.030 0.115 1.031 18909 29 1 5 "Average Difference" CB 68 0.847 -0.191 0.831 18909 30 1 5 "Average Difference" HN 63 0.307 -0.136 0.277 18909 31 1 6 "Average Difference" N 63 1.938 -0.288 1.932 18909 32 1 6 "Average Difference" HA 70 0.252 0.098 0.234 18909 33 1 6 "Average Difference" C 63 0.888 0.114 0.888 18909 34 1 6 "Average Difference" CA 69 1.032 0.095 1.036 18909 35 1 6 "Average Difference" CB 68 0.824 -0.188 0.808 18909 36 1 6 "Average Difference" HN 63 0.305 -0.099 0.290 18909 37 1 7 "Average Difference" N 63 2.272 -0.315 2.269 18909 38 1 7 "Average Difference" HA 70 0.253 0.085 0.241 18909 39 1 7 "Average Difference" C 63 0.939 0.157 0.933 18909 40 1 7 "Average Difference" CA 69 1.024 0.126 1.023 18909 41 1 7 "Average Difference" CB 68 0.885 -0.225 0.862 18909 42 1 7 "Average Difference" HN 63 0.307 -0.139 0.275 18909 43 1 8 "Average Difference" N 63 1.983 -0.325 1.972 18909 44 1 8 "Average Difference" HA 70 0.275 0.098 0.259 18909 45 1 8 "Average Difference" C 63 0.988 0.111 0.989 18909 46 1 8 "Average Difference" CA 69 0.986 0.058 0.992 18909 47 1 8 "Average Difference" CB 68 0.817 -0.217 0.793 18909 48 1 8 "Average Difference" HN 63 0.349 -0.108 0.335 18909 49 1 9 "Average Difference" N 63 1.862 -0.127 1.872 18909 50 1 9 "Average Difference" HA 70 0.263 0.089 0.249 18909 51 1 9 "Average Difference" C 63 0.886 0.137 0.883 18909 52 1 9 "Average Difference" CA 69 1.041 0.140 1.039 18909 53 1 9 "Average Difference" CB 68 0.741 -0.092 0.741 18909 54 1 9 "Average Difference" HN 63 0.351 -0.101 0.338 18909 55 1 10 "Average Difference" N 63 2.273 -0.268 2.275 18909 56 1 10 "Average Difference" HA 70 0.246 0.072 0.237 18909 57 1 10 "Average Difference" C 63 0.932 0.134 0.929 18909 58 1 10 "Average Difference" CA 69 1.013 0.188 1.002 18909 59 1 10 "Average Difference" CB 68 0.840 -0.158 0.831 18909 60 1 10 "Average Difference" HN 63 0.316 -0.113 0.298 18909 61 1 11 "Average Difference" N 63 2.233 -0.400 2.215 18909 62 1 11 "Average Difference" HA 70 0.249 0.092 0.233 18909 63 1 11 "Average Difference" C 63 0.961 0.077 0.966 18909 64 1 11 "Average Difference" CA 69 1.095 0.051 1.102 18909 65 1 11 "Average Difference" CB 68 0.859 -0.140 0.854 18909 66 1 11 "Average Difference" HN 63 0.366 -0.116 0.349 18909 67 1 12 "Average Difference" N 63 1.865 -0.263 1.861 18909 68 1 12 "Average Difference" HA 70 0.242 0.094 0.225 18909 69 1 12 "Average Difference" C 63 0.957 0.107 0.959 18909 70 1 12 "Average Difference" CA 69 1.049 0.197 1.038 18909 71 1 12 "Average Difference" CB 68 0.833 -0.174 0.820 18909 72 1 12 "Average Difference" HN 63 0.299 -0.122 0.275 18909 73 1 13 "Average Difference" N 63 1.987 -0.094 2.001 18909 74 1 13 "Average Difference" HA 70 0.254 0.098 0.237 18909 75 1 13 "Average Difference" C 63 0.911 0.099 0.913 18909 76 1 13 "Average Difference" CA 69 0.996 0.015 1.003 18909 77 1 13 "Average Difference" CB 68 0.839 -0.197 0.821 18909 78 1 13 "Average Difference" HN 63 0.367 -0.090 0.358 18909 79 1 14 "Average Difference" N 63 2.031 -0.230 2.034 18909 80 1 14 "Average Difference" HA 70 0.263 0.066 0.256 18909 81 1 14 "Average Difference" C 63 0.897 0.147 0.892 18909 82 1 14 "Average Difference" CA 69 1.113 0.144 1.111 18909 83 1 14 "Average Difference" CB 68 0.847 -0.178 0.834 18909 84 1 14 "Average Difference" HN 63 0.334 -0.100 0.322 18909 85 1 15 "Average Difference" N 63 2.088 -0.247 2.090 18909 86 1 15 "Average Difference" HA 70 0.248 0.084 0.235 18909 87 1 15 "Average Difference" C 63 0.974 0.174 0.966 18909 88 1 15 "Average Difference" CA 69 1.044 0.158 1.039 18909 89 1 15 "Average Difference" CB 68 0.848 -0.187 0.833 18909 90 1 15 "Average Difference" HN 63 0.328 -0.117 0.309 18909 91 1 16 "Average Difference" N 63 2.001 -0.378 1.981 18909 92 1 16 "Average Difference" HA 70 0.261 0.093 0.246 18909 93 1 16 "Average Difference" C 63 0.910 0.129 0.908 18909 94 1 16 "Average Difference" CA 69 1.093 0.119 1.095 18909 95 1 16 "Average Difference" CB 68 0.844 -0.142 0.838 18909 96 1 16 "Average Difference" HN 63 0.326 -0.100 0.313 18909 97 1 17 "Average Difference" N 63 2.102 -0.213 2.108 18909 98 1 17 "Average Difference" HA 70 0.253 0.097 0.236 18909 99 1 17 "Average Difference" C 63 0.910 0.160 0.903 18909 100 1 17 "Average Difference" CA 69 1.051 0.179 1.043 18909 101 1 17 "Average Difference" CB 68 0.849 -0.187 0.834 18909 102 1 17 "Average Difference" HN 63 0.313 -0.080 0.305 18909 103 1 18 "Average Difference" N 63 2.031 -0.222 2.035 18909 104 1 18 "Average Difference" HA 70 0.251 0.096 0.234 18909 105 1 18 "Average Difference" C 63 0.911 0.154 0.905 18909 106 1 18 "Average Difference" CA 69 1.034 0.154 1.030 18909 107 1 18 "Average Difference" CB 68 0.858 -0.253 0.826 18909 108 1 18 "Average Difference" HN 63 0.357 -0.111 0.342 18909 109 1 19 "Average Difference" N 63 2.029 -0.066 2.044 18909 110 1 19 "Average Difference" HA 70 0.269 0.093 0.255 18909 111 1 19 "Average Difference" C 63 0.964 0.162 0.958 18909 112 1 19 "Average Difference" CA 69 1.075 0.130 1.075 18909 113 1 19 "Average Difference" CB 68 0.852 -0.227 0.827 18909 114 1 19 "Average Difference" HN 63 0.332 -0.117 0.314 18909 115 1 20 "Average Difference" N 63 1.940 -0.282 1.934 18909 116 1 20 "Average Difference" HA 70 0.255 0.078 0.245 18909 117 1 20 "Average Difference" C 63 0.937 0.098 0.940 18909 118 1 20 "Average Difference" CA 69 1.004 0.134 1.002 18909 119 1 20 "Average Difference" CB 68 0.874 -0.210 0.855 18909 120 1 20 "Average Difference" HN 63 0.331 -0.111 0.314 18909 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 18909 _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 1 552 552 THR N N 552 120.945 120.945 119.343 1.602 18909 2 1 . 1 1 552 552 THR HA H 552 4.505 4.505 4.481 0.024 18909 3 1 . 1 1 552 552 THR CA C 552 59.439 59.439 59.734 -0.295 18909 4 1 . 1 1 552 552 THR CB C 552 69.599 69.599 69.444 0.155 18909 5 1 . 1 1 552 552 THR H H 552 8.265 8.265 7.986 0.279 18909 6 1 . 1 1 553 553 PRO HA H 553 4.485 4.485 4.389 0.096 18909 7 1 . 1 1 553 553 PRO C C 553 176.938 176.938 176.421 0.517 18909 8 1 . 1 1 553 553 PRO CA C 553 63.114 63.114 62.226 0.888 18909 9 1 . 1 1 553 553 PRO CB C 553 32.184 32.184 32.518 -0.334 18909 10 1 . 1 1 554 554 TRP N N 554 124.095 124.095 121.191 2.904 18909 11 1 . 1 1 554 554 TRP HA H 554 4.341 4.341 4.583 -0.242 18909 12 1 . 1 1 554 554 TRP C C 554 178.191 178.191 176.955 1.236 18909 13 1 . 1 1 554 554 TRP CA C 554 58.484 58.484 57.349 1.135 18909 14 1 . 1 1 554 554 TRP CB C 554 28.356 28.356 28.616 -0.260 18909 15 1 . 1 1 554 554 TRP H H 554 8.989 8.989 8.444 0.545 18909 16 1 . 1 1 555 555 THR N N 555 115.804 115.804 117.056 -1.252 18909 17 1 . 1 1 555 555 THR HA H 555 4.653 4.653 4.556 0.097 18909 18 1 . 1 1 555 555 THR C C 555 176.011 176.011 175.866 0.145 18909 19 1 . 1 1 555 555 THR CA C 555 60.145 60.145 61.173 -1.028 18909 20 1 . 1 1 555 555 THR CB C 555 71.749 71.749 70.426 1.323 18909 21 1 . 1 1 555 555 THR H H 555 8.800 8.800 8.191 0.609 18909 22 1 . 1 1 556 556 THR N N 556 116.791 116.791 116.409 0.382 18909 23 1 . 1 1 556 556 THR HA H 556 3.934 3.934 3.989 -0.055 18909 24 1 . 1 1 556 556 THR C C 556 176.992 176.992 176.493 0.499 18909 25 1 . 1 1 556 556 THR CA C 556 66.329 66.329 67.023 -0.694 18909 26 1 . 1 1 556 556 THR CB C 556 68.616 68.616 68.540 0.076 18909 27 1 . 1 1 556 556 THR H H 556 8.866 8.866 8.583 0.283 18909 28 1 . 1 1 557 557 GLU N N 557 121.303 121.303 120.653 0.650 18909 29 1 . 1 1 557 557 GLU HA H 557 4.006 4.006 4.122 -0.116 18909 30 1 . 1 1 557 557 GLU C C 557 179.310 179.310 178.819 0.491 18909 31 1 . 1 1 557 557 GLU CA C 557 60.226 60.226 59.338 0.888 18909 32 1 . 1 1 557 557 GLU CB C 557 29.155 29.155 28.781 0.374 18909 33 1 . 1 1 557 557 GLU H H 557 8.538 8.538 8.741 -0.203 18909 34 1 . 1 1 558 558 GLU N N 558 119.737 119.737 119.821 -0.084 18909 35 1 . 1 1 558 558 GLU HA H 558 3.915 3.915 4.114 -0.199 18909 36 1 . 1 1 558 558 GLU C C 558 178.844 178.844 179.283 -0.439 18909 37 1 . 1 1 558 558 GLU CA C 558 60.009 60.009 59.130 0.879 18909 38 1 . 1 1 558 558 GLU CB C 558 31.434 31.434 29.262 2.172 18909 39 1 . 1 1 558 558 GLU H H 558 7.831 7.831 7.806 0.025 18909 40 1 . 1 1 559 559 GLN N N 559 119.328 119.328 119.289 0.039 18909 41 1 . 1 1 559 559 GLN HA H 559 4.117 4.117 4.270 -0.153 18909 42 1 . 1 1 559 559 GLN C C 559 178.155 178.155 178.234 -0.079 18909 43 1 . 1 1 559 559 GLN CA C 559 59.355 59.355 58.758 0.597 18909 44 1 . 1 1 559 559 GLN CB C 559 27.985 27.985 28.692 -0.707 18909 45 1 . 1 1 559 559 GLN H H 559 8.608 8.608 8.342 0.266 18909 46 1 . 1 1 560 560 LYS N N 560 119.311 119.311 120.024 -0.713 18909 47 1 . 1 1 560 560 LYS HA H 560 4.105 4.105 4.187 -0.082 18909 48 1 . 1 1 560 560 LYS C C 560 179.880 179.880 179.222 0.658 18909 49 1 . 1 1 560 560 LYS CA C 560 59.737 59.737 59.274 0.463 18909 50 1 . 1 1 560 560 LYS CB C 560 32.061 32.061 32.069 -0.008 18909 51 1 . 1 1 560 560 LYS H H 560 8.000 8.000 7.818 0.182 18909 52 1 . 1 1 561 561 LEU N N 561 120.026 120.026 120.182 -0.156 18909 53 1 . 1 1 561 561 LEU HA H 561 4.126 4.126 4.113 0.013 18909 54 1 . 1 1 561 561 LEU C C 561 180.452 180.452 179.181 1.271 18909 55 1 . 1 1 561 561 LEU CA C 561 58.320 58.320 57.506 0.814 18909 56 1 . 1 1 561 561 LEU CB C 561 41.813 41.813 41.744 0.069 18909 57 1 . 1 1 561 561 LEU H H 561 7.814 7.814 7.932 -0.118 18909 58 1 . 1 1 562 562 LEU N N 562 122.427 122.427 121.025 1.402 18909 59 1 . 1 1 562 562 LEU HA H 562 3.996 3.996 4.099 -0.103 18909 60 1 . 1 1 562 562 LEU C C 562 177.428 177.428 178.378 -0.950 18909 61 1 . 1 1 562 562 LEU CA C 562 58.429 58.429 58.345 0.084 18909 62 1 . 1 1 562 562 LEU CB C 562 41.867 41.867 41.710 0.157 18909 63 1 . 1 1 562 562 LEU H H 562 8.374 8.374 7.922 0.452 18909 64 1 . 1 1 563 563 GLU N N 563 117.574 117.574 117.918 -0.344 18909 65 1 . 1 1 563 563 GLU HA H 563 3.839 3.839 3.887 -0.048 18909 66 1 . 1 1 563 563 GLU C C 563 179.907 179.907 179.117 0.790 18909 67 1 . 1 1 563 563 GLU CA C 563 60.145 60.145 59.454 0.691 18909 68 1 . 1 1 563 563 GLU CB C 563 29.405 29.405 29.267 0.138 18909 69 1 . 1 1 563 563 GLU H H 563 8.541 8.541 8.185 0.356 18909 70 1 . 1 1 564 564 GLN N N 564 117.659 117.659 118.770 -1.111 18909 71 1 . 1 1 564 564 GLN HA H 564 4.003 4.003 4.019 -0.016 18909 72 1 . 1 1 564 564 GLN C C 564 178.490 178.490 177.888 0.602 18909 73 1 . 1 1 564 564 GLN CA C 564 58.375 58.375 58.578 -0.203 18909 74 1 . 1 1 564 564 GLN CB C 564 28.507 28.507 28.301 0.206 18909 75 1 . 1 1 564 564 GLN H H 564 8.098 8.098 8.023 0.075 18909 76 1 . 1 1 565 565 ALA N N 565 125.117 125.117 122.063 3.054 18909 77 1 . 1 1 565 565 ALA HA H 565 4.093 4.093 3.930 0.163 18909 78 1 . 1 1 565 565 ALA C C 565 178.681 178.681 179.828 -1.147 18909 79 1 . 1 1 565 565 ALA CA C 565 55.324 55.324 54.586 0.738 18909 80 1 . 1 1 565 565 ALA CB C 565 19.312 19.312 18.251 1.061 18909 81 1 . 1 1 565 565 ALA H H 565 8.270 8.270 7.655 0.615 18909 82 1 . 1 1 566 566 LEU N N 566 117.217 117.217 117.870 -0.653 18909 83 1 . 1 1 566 566 LEU HA H 566 3.581 3.581 3.840 -0.259 18909 84 1 . 1 1 566 566 LEU C C 566 178.409 178.409 179.202 -0.793 18909 85 1 . 1 1 566 566 LEU CA C 566 57.557 57.557 57.118 0.439 18909 86 1 . 1 1 566 566 LEU CB C 566 42.044 42.044 41.521 0.523 18909 87 1 . 1 1 566 566 LEU H H 566 8.170 8.170 8.140 0.030 18909 88 1 . 1 1 567 567 LYS N N 567 115.429 115.429 118.784 -3.355 18909 89 1 . 1 1 567 567 LYS HA H 567 3.928 3.928 4.178 -0.250 18909 90 1 . 1 1 567 567 LYS C C 567 177.809 177.809 178.087 -0.278 18909 91 1 . 1 1 567 567 LYS CA C 567 57.666 57.666 58.474 -0.808 18909 92 1 . 1 1 567 567 LYS CB C 567 32.714 32.714 32.337 0.377 18909 93 1 . 1 1 567 567 LYS H H 567 6.960 6.960 7.626 -0.666 18909 94 1 . 1 1 568 568 THR N N 568 117.847 117.847 114.218 3.629 18909 95 1 . 1 1 568 568 THR HA H 568 3.468 3.468 3.955 -0.488 18909 96 1 . 1 1 568 568 THR C C 568 173.447 173.447 174.742 -1.295 18909 97 1 . 1 1 568 568 THR CA C 568 65.620 65.620 64.843 0.777 18909 98 1 . 1 1 568 568 THR CB C 568 69.080 69.080 69.102 -0.022 18909 99 1 . 1 1 568 568 THR H H 568 8.024 8.024 7.650 0.374 18909 100 1 . 1 1 569 569 TYR N N 569 118.409 118.409 120.651 -2.242 18909 101 1 . 1 1 569 569 TYR HA H 569 4.900 4.900 4.832 0.068 18909 102 1 . 1 1 569 569 TYR CA C 569 53.800 53.800 54.367 -0.568 18909 103 1 . 1 1 569 569 TYR CB C 569 37.265 37.265 37.568 -0.303 18909 104 1 . 1 1 569 569 TYR H H 569 7.690 7.690 7.473 0.217 18909 105 1 . 1 1 570 570 PRO HA H 570 4.507 4.507 4.400 0.107 18909 106 1 . 1 1 570 570 PRO C C 570 177.728 177.728 178.097 -0.369 18909 107 1 . 1 1 570 570 PRO CA C 570 62.297 62.297 62.168 0.129 18909 108 1 . 1 1 570 570 PRO CB C 570 33.572 33.572 32.867 0.705 18909 109 1 . 1 1 571 571 VAL N N 571 120.230 120.230 120.494 -0.264 18909 110 1 . 1 1 571 571 VAL HA H 571 3.467 3.467 3.617 -0.150 18909 111 1 . 1 1 571 571 VAL CA C 571 65.214 65.214 64.531 0.683 18909 112 1 . 1 1 571 571 VAL CB C 571 32.035 32.035 32.070 -0.035 18909 113 1 . 1 1 571 571 VAL H H 571 8.601 8.601 8.504 0.096 18909 114 1 . 1 1 572 572 ASN HA H 572 4.477 4.477 4.681 -0.204 18909 115 1 . 1 1 572 572 ASN C C 572 175.194 175.194 175.434 -0.240 18909 116 1 . 1 1 572 572 ASN CA C 572 54.180 54.180 54.150 0.030 18909 117 1 . 1 1 572 572 ASN CB C 572 36.964 36.964 38.356 -1.392 18909 118 1 . 1 1 573 573 THR N N 573 119.345 119.345 118.107 1.238 18909 119 1 . 1 1 573 573 THR HA H 573 4.255 4.255 4.538 -0.283 18909 120 1 . 1 1 573 573 THR CA C 573 62.108 62.108 61.023 1.085 18909 121 1 . 1 1 573 573 THR CB C 573 70.852 70.852 69.137 1.715 18909 122 1 . 1 1 573 573 THR H H 573 7.721 7.721 7.457 0.264 18909 123 1 . 1 1 574 574 PRO HA H 574 4.286 4.286 4.374 -0.088 18909 124 1 . 1 1 574 574 PRO C C 574 176.938 176.938 177.134 -0.196 18909 125 1 . 1 1 574 574 PRO CA C 574 63.387 63.387 64.515 -1.128 18909 126 1 . 1 1 574 574 PRO CB C 574 31.720 31.720 32.020 -0.300 18909 127 1 . 1 1 575 575 GLU N N 575 118.953 118.953 117.240 1.713 18909 128 1 . 1 1 575 575 GLU HA H 575 4.044 4.044 4.478 -0.434 18909 129 1 . 1 1 575 575 GLU C C 575 176.475 176.475 177.192 -0.717 18909 130 1 . 1 1 575 575 GLU CA C 575 56.958 56.958 55.458 1.500 18909 131 1 . 1 1 575 575 GLU CB C 575 27.321 27.321 28.484 -1.163 18909 132 1 . 1 1 575 575 GLU H H 575 9.066 9.066 8.562 0.504 18909 133 1 . 1 1 576 576 ARG N N 576 116.246 116.246 121.635 -5.389 18909 134 1 . 1 1 576 576 ARG HA H 576 2.953 2.953 3.772 -0.819 18909 135 1 . 1 1 576 576 ARG C C 576 177.319 177.319 177.281 0.038 18909 136 1 . 1 1 576 576 ARG CA C 576 60.962 60.962 60.390 0.572 18909 137 1 . 1 1 576 576 ARG CB C 576 31.107 31.107 30.059 1.048 18909 138 1 . 1 1 576 576 ARG H H 576 7.048 7.048 7.414 -0.366 18909 139 1 . 1 1 577 577 TRP N N 577 114.935 114.935 117.152 -2.217 18909 140 1 . 1 1 577 577 TRP HA H 577 4.066 4.066 4.474 -0.408 18909 141 1 . 1 1 577 577 TRP C C 577 177.782 177.782 178.227 -0.445 18909 142 1 . 1 1 577 577 TRP CA C 577 60.690 60.690 59.220 1.470 18909 143 1 . 1 1 577 577 TRP CB C 577 28.396 28.396 28.853 -0.457 18909 144 1 . 1 1 577 577 TRP H H 577 8.238 8.238 8.121 0.117 18909 145 1 . 1 1 578 578 LYS N N 578 122.682 122.682 119.200 3.482 18909 146 1 . 1 1 578 578 LYS HA H 578 3.976 3.976 4.045 -0.069 18909 147 1 . 1 1 578 578 LYS C C 578 178.872 178.872 178.762 0.110 18909 148 1 . 1 1 578 578 LYS CA C 578 59.791 59.791 59.082 0.709 18909 149 1 . 1 1 578 578 LYS CB C 578 32.714 32.714 31.534 1.180 18909 150 1 . 1 1 578 578 LYS H H 578 7.686 7.686 8.106 -0.420 18909 151 1 . 1 1 579 579 LYS N N 579 118.732 118.732 119.337 -0.605 18909 152 1 . 1 1 579 579 LYS HA H 579 3.601 3.601 4.208 -0.607 18909 153 1 . 1 1 579 579 LYS C C 579 179.362 179.362 178.848 0.514 18909 154 1 . 1 1 579 579 LYS CA C 579 58.593 58.593 58.331 0.262 18909 155 1 . 1 1 579 579 LYS CB C 579 29.569 29.569 31.901 -2.332 18909 156 1 . 1 1 579 579 LYS H H 579 7.375 7.375 7.568 -0.193 18909 157 1 . 1 1 580 580 ILE N N 580 120.281 120.281 120.016 0.265 18909 158 1 . 1 1 580 580 ILE HA H 580 3.411 3.411 3.864 -0.453 18909 159 1 . 1 1 580 580 ILE C C 580 176.747 176.747 177.570 -0.823 18909 160 1 . 1 1 580 580 ILE CA C 580 65.892 65.892 64.720 1.172 18909 161 1 . 1 1 580 580 ILE CB C 580 37.617 37.617 37.776 -0.159 18909 162 1 . 1 1 580 580 ILE H H 580 8.206 8.206 7.764 0.442 18909 163 1 . 1 1 581 581 ALA N N 581 119.004 119.004 122.598 -3.594 18909 164 1 . 1 1 581 581 ALA HA H 581 4.209 4.209 4.091 0.118 18909 165 1 . 1 1 581 581 ALA C C 581 181.487 181.487 178.785 2.702 18909 166 1 . 1 1 581 581 ALA CA C 581 55.351 55.351 55.151 0.200 18909 167 1 . 1 1 581 581 ALA CB C 581 17.187 17.187 18.376 -1.189 18909 168 1 . 1 1 581 581 ALA H H 581 7.944 7.944 7.832 0.112 18909 169 1 . 1 1 582 582 GLU N N 582 117.557 117.557 117.528 0.029 18909 170 1 . 1 1 582 582 GLU HA H 582 3.866 3.866 4.148 -0.282 18909 171 1 . 1 1 582 582 GLU C C 582 177.659 177.659 178.324 -0.665 18909 172 1 . 1 1 582 582 GLU CA C 582 58.613 58.613 58.228 0.385 18909 173 1 . 1 1 582 582 GLU CB C 582 29.223 29.223 29.673 -0.450 18909 174 1 . 1 1 582 582 GLU H H 582 7.722 7.722 7.759 -0.037 18909 175 1 . 1 1 583 583 ALA N N 583 120.247 120.247 120.767 -0.520 18909 176 1 . 1 1 583 583 ALA HA H 583 4.330 4.330 4.304 0.026 18909 177 1 . 1 1 583 583 ALA C C 583 176.311 176.311 177.728 -1.417 18909 178 1 . 1 1 583 583 ALA CA C 583 52.533 52.533 53.647 -1.114 18909 179 1 . 1 1 583 583 ALA CB C 583 19.414 19.414 20.244 -0.831 18909 180 1 . 1 1 583 583 ALA H H 583 7.486 7.486 7.589 -0.103 18909 181 1 . 1 1 584 584 VAL N N 584 120.230 120.230 119.074 1.156 18909 182 1 . 1 1 584 584 VAL HA H 584 4.422 4.422 4.556 -0.134 18909 183 1 . 1 1 584 584 VAL CA C 584 59.330 59.330 58.694 0.636 18909 184 1 . 1 1 584 584 VAL CB C 584 31.681 31.681 32.928 -1.247 18909 185 1 . 1 1 584 584 VAL H H 584 7.486 7.486 7.729 -0.243 18909 186 1 . 1 1 585 585 PRO HA H 585 4.235 4.235 4.647 -0.412 18909 187 1 . 1 1 585 585 PRO C C 585 178.000 178.000 178.016 -0.016 18909 188 1 . 1 1 585 585 PRO CA C 585 64.095 64.095 62.841 1.254 18909 189 1 . 1 1 585 585 PRO CB C 585 31.666 31.666 32.338 -0.672 18909 190 1 . 1 1 586 586 GLY N N 586 111.258 111.258 110.279 0.979 18909 191 1 . 1 1 586 586 GLY C C 586 174.077 174.077 174.264 -0.187 18909 192 1 . 1 1 586 586 GLY CA C 586 45.218 45.218 45.226 -0.008 18909 193 1 . 1 1 586 586 GLY H H 586 8.470 8.470 8.584 -0.114 18909 194 1 . 1 1 587 587 ARG N N 587 118.885 118.885 122.208 -3.323 18909 195 1 . 1 1 587 587 ARG HA H 587 4.888 4.888 4.483 0.405 18909 196 1 . 1 1 587 587 ARG C C 587 175.875 175.875 175.874 0.001 18909 197 1 . 1 1 587 587 ARG CA C 587 52.327 52.327 54.210 -1.883 18909 198 1 . 1 1 587 587 ARG CB C 587 32.360 32.360 30.665 1.695 18909 199 1 . 1 1 587 587 ARG H H 587 7.588 7.588 7.694 -0.106 18909 200 1 . 1 1 588 588 THR N N 588 111.905 111.905 115.397 -3.492 18909 201 1 . 1 1 588 588 THR HA H 588 4.543 4.543 4.555 -0.012 18909 202 1 . 1 1 588 588 THR C C 588 176.502 176.502 175.554 0.948 18909 203 1 . 1 1 588 588 THR CA C 588 60.335 60.335 60.951 -0.616 18909 204 1 . 1 1 588 588 THR CB C 588 72.376 72.376 70.440 1.936 18909 205 1 . 1 1 588 588 THR H H 588 8.919 8.919 8.330 0.589 18909 206 1 . 1 1 589 589 LYS N N 589 122.529 122.529 122.053 0.476 18909 207 1 . 1 1 589 589 LYS HA H 589 3.936 3.936 4.167 -0.231 18909 208 1 . 1 1 589 589 LYS C C 589 177.945 177.945 178.483 -0.538 18909 209 1 . 1 1 589 589 LYS CA C 589 61.181 61.181 59.352 1.829 18909 210 1 . 1 1 589 589 LYS CB C 589 32.197 32.197 31.819 0.378 18909 211 1 . 1 1 589 589 LYS H H 589 9.076 9.076 8.718 0.358 18909 212 1 . 1 1 590 590 LYS N N 590 118.443 118.443 117.042 1.401 18909 213 1 . 1 1 590 590 LYS HA H 590 3.869 3.869 3.963 -0.094 18909 214 1 . 1 1 590 590 LYS C C 590 178.888 178.888 178.083 0.805 18909 215 1 . 1 1 590 590 LYS CA C 590 59.819 59.819 59.122 0.697 18909 216 1 . 1 1 590 590 LYS CB C 590 32.360 32.360 31.699 0.661 18909 217 1 . 1 1 590 590 LYS H H 590 8.199 8.199 8.249 -0.050 18909 218 1 . 1 1 591 591 ASP N N 591 120.281 120.281 121.192 -0.911 18909 219 1 . 1 1 591 591 ASP HA H 591 4.341 4.341 4.659 -0.318 18909 220 1 . 1 1 591 591 ASP C C 591 179.771 179.771 178.597 1.174 18909 221 1 . 1 1 591 591 ASP CA C 591 57.258 57.258 57.318 -0.060 18909 222 1 . 1 1 591 591 ASP CB C 591 41.758 41.758 40.739 1.019 18909 223 1 . 1 1 591 591 ASP H H 591 7.806 7.806 7.911 -0.105 18909 224 1 . 1 1 592 592 CYS N N 592 118.153 118.153 119.071 -0.918 18909 225 1 . 1 1 592 592 CYS HA H 592 4.316 4.316 4.378 -0.062 18909 226 1 . 1 1 592 592 CYS C C 592 175.773 175.773 176.826 -1.053 18909 227 1 . 1 1 592 592 CYS CA C 592 64.939 64.939 63.491 1.448 18909 228 1 . 1 1 592 592 CYS CB C 592 27.048 27.048 27.387 -0.339 18909 229 1 . 1 1 592 592 CYS H H 592 8.551 8.551 8.035 0.516 18909 230 1 . 1 1 593 593 MET N N 593 119.107 119.107 119.448 -0.341 18909 231 1 . 1 1 593 593 MET HA H 593 3.011 3.011 3.748 -0.737 18909 232 1 . 1 1 593 593 MET C C 593 178.256 178.256 178.083 0.173 18909 233 1 . 1 1 593 593 MET CA C 593 59.546 59.546 59.229 0.317 18909 234 1 . 1 1 593 593 MET CB C 593 33.099 33.099 31.999 1.100 18909 235 1 . 1 1 593 593 MET H H 593 8.226 8.226 8.147 0.079 18909 236 1 . 1 1 594 594 LYS N N 594 120.230 120.230 119.693 0.537 18909 237 1 . 1 1 594 594 LYS HA H 594 3.881 3.881 3.964 -0.083 18909 238 1 . 1 1 594 594 LYS C C 594 178.396 178.396 178.991 -0.595 18909 239 1 . 1 1 594 594 LYS CA C 594 59.355 59.355 59.469 -0.114 18909 240 1 . 1 1 594 594 LYS CB C 594 32.520 32.520 32.113 0.407 18909 241 1 . 1 1 594 594 LYS H H 594 7.947 7.947 7.918 0.029 18909 242 1 . 1 1 595 595 ARG N N 595 119.498 119.498 119.433 0.065 18909 243 1 . 1 1 595 595 ARG HA H 595 3.863 3.863 4.106 -0.243 18909 244 1 . 1 1 595 595 ARG C C 595 177.728 177.728 178.511 -0.783 18909 245 1 . 1 1 595 595 ARG CA C 595 56.958 56.958 58.174 -1.216 18909 246 1 . 1 1 595 595 ARG CB C 595 29.432 29.432 29.267 0.165 18909 247 1 . 1 1 595 595 ARG H H 595 7.964 7.964 7.968 -0.004 18909 248 1 . 1 1 596 596 TYR N N 596 118.375 118.375 120.599 -2.224 18909 249 1 . 1 1 596 596 TYR HA H 596 4.077 4.077 4.170 -0.093 18909 250 1 . 1 1 596 596 TYR C C 596 176.072 176.072 177.331 -1.259 18909 251 1 . 1 1 596 596 TYR CA C 596 61.219 61.219 61.028 0.191 18909 252 1 . 1 1 596 596 TYR CB C 596 39.197 39.197 38.449 0.748 18909 253 1 . 1 1 596 596 TYR H H 596 8.161 8.161 8.096 0.065 18909 254 1 . 1 1 597 597 LYS N N 597 117.932 117.932 119.476 -1.544 18909 255 1 . 1 1 597 597 LYS HA H 597 3.583 3.583 3.691 -0.108 18909 256 1 . 1 1 597 597 LYS C C 597 178.941 178.941 178.654 0.287 18909 257 1 . 1 1 597 597 LYS CA C 597 59.542 59.542 59.714 -0.172 18909 258 1 . 1 1 597 597 LYS CB C 597 32.002 32.002 32.124 -0.123 18909 259 1 . 1 1 597 597 LYS H H 597 7.709 7.709 8.026 -0.317 18909 260 1 . 1 1 598 598 GLU N N 598 118.153 118.153 119.221 -1.068 18909 261 1 . 1 1 598 598 GLU HA H 598 3.867 3.867 4.003 -0.136 18909 262 1 . 1 1 598 598 GLU C C 598 179.389 179.389 179.219 0.170 18909 263 1 . 1 1 598 598 GLU CA C 598 58.974 58.974 59.043 -0.069 18909 264 1 . 1 1 598 598 GLU CB C 598 29.405 29.405 29.294 0.111 18909 265 1 . 1 1 598 598 GLU H H 598 7.709 7.709 7.783 -0.074 18909 266 1 . 1 1 599 599 LEU N N 599 121.286 121.286 119.976 1.310 18909 267 1 . 1 1 599 599 LEU HA H 599 3.983 3.983 3.963 0.020 18909 268 1 . 1 1 599 599 LEU C C 599 179.658 179.658 179.075 0.583 18909 269 1 . 1 1 599 599 LEU CA C 599 57.775 57.775 57.897 -0.122 18909 270 1 . 1 1 599 599 LEU CB C 599 41.350 41.350 41.651 -0.301 18909 271 1 . 1 1 599 599 LEU H H 599 8.044 8.044 7.986 0.058 18909 272 1 . 1 1 600 600 VAL N N 600 119.583 119.583 118.691 0.892 18909 273 1 . 1 1 600 600 VAL HA H 600 3.486 3.486 3.530 -0.044 18909 274 1 . 1 1 600 600 VAL C C 600 178.899 178.899 178.070 0.829 18909 275 1 . 1 1 600 600 VAL CA C 600 66.056 66.056 66.351 -0.295 18909 276 1 . 1 1 600 600 VAL CB C 600 31.570 31.570 31.163 0.407 18909 277 1 . 1 1 600 600 VAL H H 600 7.998 7.998 7.791 0.207 18909 278 1 . 1 1 601 601 GLU N N 601 119.073 119.073 119.451 -0.378 18909 279 1 . 1 1 601 601 GLU HA H 601 3.935 3.935 4.016 -0.081 18909 280 1 . 1 1 601 601 GLU C C 601 178.931 178.931 179.276 -0.345 18909 281 1 . 1 1 601 601 GLU CA C 601 58.647 58.647 59.184 -0.537 18909 282 1 . 1 1 601 601 GLU CB C 601 29.037 29.037 29.273 -0.236 18909 283 1 . 1 1 601 601 GLU H H 601 7.795 7.795 7.909 -0.114 18909 284 1 . 1 1 602 602 MET N N 602 119.771 119.771 118.482 1.289 18909 285 1 . 1 1 602 602 MET HA H 602 4.153 4.153 4.190 -0.037 18909 286 1 . 1 1 602 602 MET C C 602 178.353 178.353 178.612 -0.259 18909 287 1 . 1 1 602 602 MET CA C 602 58.484 58.484 59.297 -0.813 18909 288 1 . 1 1 602 602 MET CB C 602 32.433 32.433 32.858 -0.425 18909 289 1 . 1 1 602 602 MET H H 602 7.910 7.910 8.094 -0.184 18909 290 1 . 1 1 603 603 VAL N N 603 120.332 120.332 118.534 1.798 18909 291 1 . 1 1 603 603 VAL HA H 603 3.681 3.681 3.649 0.032 18909 292 1 . 1 1 603 603 VAL C C 603 178.203 178.203 177.635 0.568 18909 293 1 . 1 1 603 603 VAL CA C 603 65.588 65.588 66.410 -0.822 18909 294 1 . 1 1 603 603 VAL CB C 603 31.765 31.765 31.163 0.602 18909 295 1 . 1 1 603 603 VAL H H 603 7.792 7.792 7.931 -0.139 18909 296 1 . 1 1 604 604 LYS N N 604 121.047 121.047 119.974 1.073 18909 297 1 . 1 1 604 604 LYS HA H 604 3.971 3.971 4.027 -0.056 18909 298 1 . 1 1 604 604 LYS CA C 604 58.867 58.867 59.405 -0.538 18909 299 1 . 1 1 604 604 LYS CB C 604 32.743 32.743 31.998 0.745 18909 300 1 . 1 1 604 604 LYS H H 604 7.855 7.855 7.886 -0.031 18909 301 1 . 1 1 605 605 ALA HA H 605 4.167 4.167 4.104 0.063 18909 302 1 . 1 1 605 605 ALA C C 605 179.644 179.644 179.584 0.060 18909 303 1 . 1 1 605 605 ALA CA C 605 54.071 54.071 55.053 -0.982 18909 304 1 . 1 1 605 605 ALA CB C 605 18.386 18.386 18.214 0.172 18909 305 1 . 1 1 606 606 LYS N N 606 120.077 120.077 118.593 1.484 18909 306 1 . 1 1 606 606 LYS HA H 606 4.092 4.092 4.003 0.089 18909 307 1 . 1 1 606 606 LYS C C 606 178.218 178.218 178.804 -0.586 18909 308 1 . 1 1 606 606 LYS CA C 606 57.993 57.993 59.374 -1.381 18909 309 1 . 1 1 606 606 LYS CB C 606 32.333 32.333 32.352 -0.018 18909 310 1 . 1 1 606 606 LYS H H 606 7.967 7.967 7.933 0.034 18909 311 1 . 1 1 607 607 LYS N N 607 120.979 120.979 119.539 1.440 18909 312 1 . 1 1 607 607 LYS HA H 607 4.105 4.105 4.075 0.030 18909 313 1 . 1 1 607 607 LYS C C 607 177.864 177.864 178.781 -0.916 18909 314 1 . 1 1 607 607 LYS CA C 607 57.993 57.993 59.027 -1.034 18909 315 1 . 1 1 607 607 LYS CB C 607 32.496 32.496 32.250 0.246 18909 316 1 . 1 1 607 607 LYS H H 607 8.013 8.013 7.836 0.177 18909 317 1 . 1 1 608 608 ALA N N 608 122.801 122.801 121.199 1.602 18909 318 1 . 1 1 608 608 ALA HA H 608 4.160 4.160 4.081 0.079 18909 319 1 . 1 1 608 608 ALA C C 608 179.035 179.035 179.305 -0.270 18909 320 1 . 1 1 608 608 ALA CA C 608 53.744 53.744 54.964 -1.220 18909 321 1 . 1 1 608 608 ALA CB C 608 18.440 18.440 18.166 0.274 18909 322 1 . 1 1 608 608 ALA H H 608 8.034 8.034 7.900 0.134 18909 323 1 . 1 1 609 609 ALA N N 609 121.524 121.524 120.623 0.901 18909 324 1 . 1 1 609 609 ALA HA H 609 4.194 4.194 4.039 0.155 18909 325 1 . 1 1 609 609 ALA C C 609 179.062 179.062 179.786 -0.724 18909 326 1 . 1 1 609 609 ALA CA C 609 53.635 53.635 54.814 -1.179 18909 327 1 . 1 1 609 609 ALA CB C 609 18.495 18.495 18.253 0.242 18909 328 1 . 1 1 609 609 ALA H H 609 7.930 7.930 7.823 0.107 18909 329 1 . 1 1 610 610 GLN N N 610 118.289 118.289 117.955 0.334 18909 330 1 . 1 1 610 610 GLN HA H 610 4.149 4.149 4.070 0.079 18909 331 1 . 1 1 610 610 GLN C C 610 177.230 177.230 178.247 -1.017 18909 332 1 . 1 1 610 610 GLN CA C 610 57.040 57.040 58.565 -1.525 18909 333 1 . 1 1 610 610 GLN CB C 610 28.928 28.928 28.668 0.260 18909 334 1 . 1 1 610 610 GLN H H 610 7.996 7.996 7.997 -0.001 18909 335 1 . 1 1 611 611 GLU N N 611 120.690 120.690 120.080 0.610 18909 336 1 . 1 1 611 611 GLU HA H 611 4.098 4.098 4.031 0.067 18909 337 1 . 1 1 611 611 GLU C C 611 177.237 177.237 179.022 -1.785 18909 338 1 . 1 1 611 611 GLU CA C 611 57.775 57.775 59.364 -1.589 18909 339 1 . 1 1 611 611 GLU CB C 611 29.854 29.854 29.481 0.373 18909 340 1 . 1 1 611 611 GLU H H 611 8.156 8.156 7.996 0.160 18909 341 1 . 1 1 612 612 GLN N N 612 119.771 119.771 118.022 1.749 18909 342 1 . 1 1 612 612 GLN HA H 612 4.186 4.186 4.139 0.047 18909 343 1 . 1 1 612 612 GLN C C 612 176.949 176.949 178.724 -1.775 18909 344 1 . 1 1 612 612 GLN CA C 612 56.945 56.945 58.413 -1.468 18909 345 1 . 1 1 612 612 GLN CB C 612 28.887 28.887 28.614 0.273 18909 346 1 . 1 1 612 612 GLN H H 612 8.041 8.041 7.908 0.133 18909 347 1 . 1 1 613 613 VAL N N 613 120.724 120.724 120.356 0.368 18909 348 1 . 1 1 613 613 VAL HA H 613 3.901 3.901 3.741 0.160 18909 349 1 . 1 1 613 613 VAL C C 613 177.118 177.118 177.987 -0.869 18909 350 1 . 1 1 613 613 VAL CA C 613 63.714 63.714 65.841 -2.127 18909 351 1 . 1 1 613 613 VAL CB C 613 32.151 32.151 31.545 0.606 18909 352 1 . 1 1 613 613 VAL H H 613 7.857 7.857 7.666 0.191 18909 353 1 . 1 1 614 614 LEU N N 614 124.095 124.095 120.552 3.543 18909 354 1 . 1 1 614 614 LEU HA H 614 4.201 4.201 4.010 0.191 18909 355 1 . 1 1 614 614 LEU C C 614 177.918 177.918 178.547 -0.629 18909 356 1 . 1 1 614 614 LEU CA C 614 56.032 56.032 57.820 -1.788 18909 357 1 . 1 1 614 614 LEU CB C 614 42.085 42.085 41.468 0.617 18909 358 1 . 1 1 614 614 LEU H H 614 8.105 8.105 8.032 0.073 18909 359 1 . 1 1 615 615 ASN N N 615 118.783 118.783 117.766 1.017 18909 360 1 . 1 1 615 615 ASN HA H 615 4.548 4.548 4.421 0.127 18909 361 1 . 1 1 615 615 ASN C C 615 175.745 175.745 177.238 -1.493 18909 362 1 . 1 1 615 615 ASN CA C 615 54.125 54.125 56.192 -2.067 18909 363 1 . 1 1 615 615 ASN CB C 615 38.587 38.587 38.316 0.271 18909 364 1 . 1 1 615 615 ASN H H 615 8.282 8.282 8.210 0.071 18909 365 1 . 1 1 616 616 ALA N N 616 123.857 123.857 121.592 2.265 18909 366 1 . 1 1 616 616 ALA HA H 616 4.223 4.223 4.197 0.026 18909 367 1 . 1 1 616 616 ALA C C 616 178.327 178.327 179.268 -0.941 18909 368 1 . 1 1 616 616 ALA CA C 616 53.280 53.280 54.554 -1.274 18909 369 1 . 1 1 616 616 ALA CB C 616 18.876 18.876 18.495 0.381 18909 370 1 . 1 1 616 616 ALA H H 616 8.098 8.098 7.682 0.416 18909 371 1 . 1 1 617 617 SER N N 617 114.101 114.101 113.204 0.897 18909 372 1 . 1 1 617 617 SER HA H 617 4.337 4.337 4.289 0.048 18909 373 1 . 1 1 617 617 SER C C 617 178.463 178.463 176.215 2.248 18909 374 1 . 1 1 617 617 SER CA C 617 58.865 58.865 60.627 -1.762 18909 375 1 . 1 1 617 617 SER CB C 617 63.659 63.659 63.364 0.295 18909 376 1 . 1 1 617 617 SER H H 617 8.098 8.098 7.800 0.298 18909 377 1 . 1 1 618 618 ARG N N 618 122.410 122.410 120.339 2.071 18909 378 1 . 1 1 618 618 ARG HA H 618 4.267 4.267 4.325 -0.058 18909 379 1 . 1 1 618 618 ARG C C 618 175.902 175.902 176.338 -0.436 18909 380 1 . 1 1 618 618 ARG CA C 618 56.195 56.195 56.155 0.040 18909 381 1 . 1 1 618 618 ARG CB C 618 30.604 30.604 30.475 0.129 18909 382 1 . 1 1 618 618 ARG H H 618 8.012 8.012 7.695 0.317 18909 383 1 . 1 1 619 619 ALA N N 619 124.555 124.555 122.322 2.233 18909 384 1 . 1 1 619 619 ALA HA H 619 4.228 4.228 4.322 -0.094 18909 385 1 . 1 1 619 619 ALA C C 619 177.455 177.455 176.629 0.826 18909 386 1 . 1 1 619 619 ALA CA C 619 52.491 52.491 52.150 0.341 18909 387 1 . 1 1 619 619 ALA CB C 619 19.203 19.203 18.826 0.377 18909 388 1 . 1 1 619 619 ALA H H 619 8.039 8.039 7.575 0.464 18909 389 1 . 1 1 620 620 LYS N N 620 121.286 121.286 120.503 0.783 18909 390 1 . 1 1 620 620 LYS HA H 620 4.233 4.233 4.335 -0.102 18909 391 1 . 1 1 620 620 LYS C C 620 175.548 175.548 176.090 -0.542 18909 392 1 . 1 1 620 620 LYS CA C 620 56.304 56.304 56.134 0.170 18909 393 1 . 1 1 620 620 LYS CB C 620 32.974 32.974 32.958 0.016 18909 394 1 . 1 1 620 620 LYS H H 620 8.139 8.139 8.130 0.009 18909 stop_ save_