data_18694 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18694 _Entry.PDB_ID 2LXS 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 18694 _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 1 587 587 VAL N N 587 119.752 119.752 122.413 -2.661 18694 2 1 1 . 1 1 587 587 VAL HA H 587 4.098 4.098 3.914 0.184 18694 3 1 1 . 1 1 587 587 VAL C C 587 176.340 176.340 177.417 -1.077 18694 4 1 1 . 1 1 587 587 VAL CA C 587 62.229 62.229 63.783 -1.554 18694 5 1 1 . 1 1 587 587 VAL CB C 587 32.782 32.782 32.022 0.760 18694 6 1 1 . 1 1 587 587 VAL H H 587 8.027 8.027 8.256 -0.229 18694 7 1 1 . 1 1 588 588 ARG N N 588 125.669 125.669 118.123 7.546 18694 8 1 1 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.395 -0.073 18694 9 1 1 . 1 1 588 588 ARG C C 588 176.109 176.109 176.001 0.108 18694 10 1 1 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.279 -0.112 18694 11 1 1 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.556 0.095 18694 12 1 1 . 1 1 588 588 ARG H H 588 8.528 8.528 8.048 0.480 18694 13 1 1 . 1 1 589 589 LYS N N 589 121.018 121.018 122.203 -1.185 18694 14 1 1 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.168 0.018 18694 15 1 1 . 1 1 589 589 LYS C C 589 177.598 177.598 174.657 2.941 18694 16 1 1 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.673 -0.750 18694 17 1 1 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.349 0.240 18694 18 1 1 . 1 1 589 589 LYS H H 589 8.116 8.116 7.783 0.333 18694 19 1 1 . 1 1 590 590 GLY N N 590 112.531 112.531 112.906 -0.375 18694 20 1 1 . 1 1 590 590 GLY C C 590 176.465 176.465 173.713 2.752 18694 21 1 1 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.878 2.318 18694 22 1 1 . 1 1 590 590 GLY H H 590 8.669 8.669 8.073 0.596 18694 23 1 1 . 1 1 591 591 TRP N N 591 119.435 119.435 121.465 -2.030 18694 24 1 1 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.731 -0.226 18694 25 1 1 . 1 1 591 591 TRP C C 591 178.177 178.177 177.008 1.169 18694 26 1 1 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.547 0.581 18694 27 1 1 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.225 -1.471 18694 28 1 1 . 1 1 591 591 TRP H H 591 8.026 8.026 7.305 0.721 18694 29 1 1 . 1 1 592 592 HIS N N 592 119.340 119.340 119.738 -0.398 18694 30 1 1 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.371 -0.870 18694 31 1 1 . 1 1 592 592 HIS CA C 592 56.278 56.278 58.386 -2.108 18694 32 1 1 . 1 1 592 592 HIS CB C 592 28.484 28.484 29.942 -1.458 18694 33 1 1 . 1 1 592 592 HIS H H 592 7.165 7.165 8.829 -1.664 18694 34 1 1 . 1 1 593 593 GLU N N 593 116.536 116.536 119.655 -3.119 18694 35 1 1 . 1 1 593 593 GLU HA H 593 3.980 3.980 3.990 -0.010 18694 36 1 1 . 1 1 593 593 GLU C C 593 176.675 176.675 177.104 -0.429 18694 37 1 1 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.733 -0.625 18694 38 1 1 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.756 0.423 18694 39 1 1 . 1 1 593 593 GLU H H 593 7.726 7.726 8.526 -0.800 18694 40 1 1 . 1 1 594 594 HIS N N 594 112.885 112.885 114.671 -1.786 18694 41 1 1 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.500 0.450 18694 42 1 1 . 1 1 594 594 HIS CA C 594 54.264 54.264 56.401 -2.136 18694 43 1 1 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.326 -0.144 18694 44 1 1 . 1 1 594 594 HIS H H 594 7.530 7.530 8.094 -0.564 18694 45 1 1 . 1 1 595 595 VAL N N 595 120.678 120.678 120.070 0.608 18694 46 1 1 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.339 0.161 18694 47 1 1 . 1 1 595 595 VAL C C 595 174.593 174.593 174.720 -0.127 18694 48 1 1 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.906 1.137 18694 49 1 1 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.876 -1.514 18694 50 1 1 . 1 1 595 595 VAL H H 595 7.492 7.492 7.873 -0.381 18694 51 1 1 . 1 1 596 596 THR N N 596 115.525 115.525 119.027 -3.502 18694 52 1 1 . 1 1 596 596 THR HA H 596 4.494 4.494 4.497 -0.003 18694 53 1 1 . 1 1 596 596 THR C C 596 175.419 175.419 175.589 -0.170 18694 54 1 1 . 1 1 596 596 THR CA C 596 60.001 60.001 61.098 -1.097 18694 55 1 1 . 1 1 596 596 THR CB C 596 71.072 71.072 71.212 -0.140 18694 56 1 1 . 1 1 596 596 THR H H 596 7.583 7.583 8.374 -0.791 18694 57 1 1 . 1 1 597 597 GLN N N 597 120.346 120.346 126.410 -6.064 18694 58 1 1 . 1 1 597 597 GLN HA H 597 3.818 3.818 3.990 -0.172 18694 59 1 1 . 1 1 597 597 GLN C C 597 178.079 178.079 177.398 0.681 18694 60 1 1 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.615 -0.861 18694 61 1 1 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.482 -0.470 18694 62 1 1 . 1 1 597 597 GLN H H 597 8.929 8.929 8.880 0.049 18694 63 1 1 . 1 1 598 598 ASP N N 598 117.842 117.842 119.616 -1.774 18694 64 1 1 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.407 -0.067 18694 65 1 1 . 1 1 598 598 ASP C C 598 178.494 178.494 178.575 -0.081 18694 66 1 1 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.415 -0.522 18694 67 1 1 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.545 -0.011 18694 68 1 1 . 1 1 598 598 ASP H H 598 8.382 8.382 7.728 0.654 18694 69 1 1 . 1 1 599 599 LEU N N 599 123.174 123.174 120.334 2.840 18694 70 1 1 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.085 0.158 18694 71 1 1 . 1 1 599 599 LEU C C 599 179.129 179.129 178.719 0.410 18694 72 1 1 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.920 0.522 18694 73 1 1 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.958 -0.324 18694 74 1 1 . 1 1 599 599 LEU H H 599 7.671 7.671 7.433 0.238 18694 75 1 1 . 1 1 600 600 ARG N N 600 118.132 118.132 118.433 -0.301 18694 76 1 1 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.124 0.198 18694 77 1 1 . 1 1 600 600 ARG C C 600 179.103 179.103 179.015 0.088 18694 78 1 1 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.950 0.446 18694 79 1 1 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.251 0.269 18694 80 1 1 . 1 1 600 600 ARG H H 600 7.768 7.768 7.855 -0.087 18694 81 1 1 . 1 1 601 601 SER N N 601 112.865 112.865 114.633 -1.768 18694 82 1 1 . 1 1 601 601 SER HA H 601 4.134 4.134 3.963 0.171 18694 83 1 1 . 1 1 601 601 SER C C 601 177.665 177.665 176.438 1.227 18694 84 1 1 . 1 1 601 601 SER CA C 601 61.534 61.534 61.999 -0.466 18694 85 1 1 . 1 1 601 601 SER CB C 601 62.758 62.758 62.700 0.058 18694 86 1 1 . 1 1 601 601 SER H H 601 8.501 8.501 8.454 0.047 18694 87 1 1 . 1 1 602 602 HIS N N 602 121.543 121.543 123.735 -2.192 18694 88 1 1 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.427 0.066 18694 89 1 1 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.841 -0.932 18694 90 1 1 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.314 -2.224 18694 91 1 1 . 1 1 602 602 HIS H H 602 8.098 8.098 8.435 -0.337 18694 92 1 1 . 1 1 603 603 LEU N N 603 122.394 122.394 119.450 2.944 18694 93 1 1 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.911 0.117 18694 94 1 1 . 1 1 603 603 LEU C C 603 179.275 179.275 179.193 0.082 18694 95 1 1 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.931 0.166 18694 96 1 1 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.882 -1.660 18694 97 1 1 . 1 1 603 603 LEU H H 603 8.293 8.293 8.431 -0.138 18694 98 1 1 . 1 1 604 604 VAL N N 604 120.325 120.325 120.124 0.201 18694 99 1 1 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.553 -0.125 18694 100 1 1 . 1 1 604 604 VAL C C 604 178.026 178.026 178.288 -0.262 18694 101 1 1 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.284 1.608 18694 102 1 1 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.823 0.780 18694 103 1 1 . 1 1 604 604 VAL H H 604 8.409 8.409 8.269 0.140 18694 104 1 1 . 1 1 605 605 HIS N N 605 116.275 116.275 118.439 -2.164 18694 105 1 1 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.202 0.050 18694 106 1 1 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.814 -0.723 18694 107 1 1 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.488 -1.608 18694 108 1 1 . 1 1 605 605 HIS H H 605 7.908 7.908 8.128 -0.220 18694 109 1 1 . 1 1 606 606 LYS N N 606 119.506 119.506 121.155 -1.649 18694 110 1 1 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.921 0.352 18694 111 1 1 . 1 1 606 606 LYS C C 606 178.947 178.947 178.618 0.329 18694 112 1 1 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.846 -1.042 18694 113 1 1 . 1 1 606 606 LYS H H 606 8.092 8.092 8.062 0.030 18694 114 1 1 . 1 1 607 607 LEU N N 607 121.321 121.321 120.818 0.503 18694 115 1 1 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.937 0.021 18694 116 1 1 . 1 1 607 607 LEU C C 607 177.899 177.899 178.699 -0.800 18694 117 1 1 . 1 1 607 607 LEU CA C 607 58.826 58.826 58.002 0.825 18694 118 1 1 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.091 0.432 18694 119 1 1 . 1 1 607 607 LEU H H 607 7.994 7.994 7.996 -0.002 18694 120 1 1 . 1 1 608 608 VAL N N 608 118.191 118.191 118.680 -0.489 18694 121 1 1 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.503 -0.156 18694 122 1 1 . 1 1 608 608 VAL C C 608 177.033 177.033 177.976 -0.943 18694 123 1 1 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.751 1.192 18694 124 1 1 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.654 -0.002 18694 125 1 1 . 1 1 608 608 VAL H H 608 8.036 8.036 8.117 -0.081 18694 126 1 1 . 1 1 609 609 GLN N N 609 116.772 116.772 119.937 -3.165 18694 127 1 1 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.195 -0.307 18694 128 1 1 . 1 1 609 609 GLN C C 609 176.992 176.992 177.982 -0.990 18694 129 1 1 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.600 -0.492 18694 130 1 1 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.841 0.312 18694 131 1 1 . 1 1 609 609 GLN H H 609 8.108 8.108 8.564 -0.456 18694 132 1 1 . 1 1 610 610 ALA N N 610 119.316 119.316 121.227 -1.911 18694 133 1 1 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.128 -0.095 18694 134 1 1 . 1 1 610 610 ALA C C 610 178.498 178.498 179.030 -0.532 18694 135 1 1 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.730 -0.952 18694 136 1 1 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.586 0.806 18694 137 1 1 . 1 1 610 610 ALA H H 610 7.756 7.756 8.102 -0.346 18694 138 1 1 . 1 1 611 611 ILE N N 611 115.839 115.839 115.521 0.318 18694 139 1 1 . 1 1 611 611 ILE HA H 611 3.675 3.675 3.973 -0.298 18694 140 1 1 . 1 1 611 611 ILE C C 611 174.299 174.299 176.213 -1.914 18694 141 1 1 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.073 0.652 18694 142 1 1 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.767 0.539 18694 143 1 1 . 1 1 611 611 ILE H H 611 7.498 7.498 7.151 0.347 18694 144 1 1 . 1 1 612 612 PHE N N 612 116.531 116.531 119.900 -3.369 18694 145 1 1 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.019 0.077 18694 146 1 1 . 1 1 612 612 PHE C C 612 171.610 171.610 173.307 -1.697 18694 147 1 1 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.632 -2.916 18694 148 1 1 . 1 1 612 612 PHE CB C 612 39.682 39.682 40.892 -1.210 18694 149 1 1 . 1 1 612 612 PHE H H 612 8.235 8.235 7.865 0.370 18694 150 1 1 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.523 0.050 18694 151 1 1 . 1 1 613 613 PRO C C 613 178.269 178.269 176.298 1.971 18694 152 1 1 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.867 0.911 18694 153 1 1 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.474 0.970 18694 154 1 1 . 1 1 614 614 THR N N 614 109.561 109.561 113.644 -4.083 18694 155 1 1 . 1 1 614 614 THR HA H 614 4.470 4.470 4.306 0.164 18694 156 1 1 . 1 1 614 614 THR C C 614 172.048 172.048 172.115 -0.067 18694 157 1 1 . 1 1 614 614 THR CA C 614 58.106 58.106 58.849 -0.743 18694 158 1 1 . 1 1 614 614 THR CB C 614 69.549 69.549 68.019 1.530 18694 159 1 1 . 1 1 614 614 THR H H 614 8.025 8.025 7.340 0.685 18694 160 1 1 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.431 -0.441 18694 161 1 1 . 1 1 615 615 PRO C C 615 176.462 176.462 176.193 0.269 18694 162 1 1 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.309 0.383 18694 163 1 1 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.572 -0.270 18694 164 1 1 . 1 1 616 616 ASP N N 616 122.743 122.743 125.212 -2.469 18694 165 1 1 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.842 -0.089 18694 166 1 1 . 1 1 616 616 ASP C C 616 174.226 174.226 176.284 -2.058 18694 167 1 1 . 1 1 616 616 ASP CA C 616 51.858 51.858 50.926 0.932 18694 168 1 1 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.399 -2.469 18694 169 1 1 . 1 1 616 616 ASP H H 616 8.145 8.145 7.850 0.295 18694 170 1 1 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.245 -0.135 18694 171 1 1 . 1 1 617 617 PRO C C 617 178.885 178.885 176.609 2.276 18694 172 1 1 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.924 1.091 18694 173 1 1 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.939 -0.005 18694 174 1 1 . 1 1 618 618 ALA N N 618 118.548 118.548 119.336 -0.788 18694 175 1 1 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.274 -0.191 18694 176 1 1 . 1 1 618 618 ALA C C 618 180.518 180.518 180.073 0.445 18694 177 1 1 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.633 1.089 18694 178 1 1 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.732 -0.541 18694 179 1 1 . 1 1 618 618 ALA H H 618 8.093 8.093 7.512 0.581 18694 180 1 1 . 1 1 619 619 ALA N N 619 122.623 122.623 122.666 -0.043 18694 181 1 1 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.114 0.211 18694 182 1 1 . 1 1 619 619 ALA C C 619 179.318 179.318 180.004 -0.686 18694 183 1 1 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.778 -0.093 18694 184 1 1 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.423 0.232 18694 185 1 1 . 1 1 619 619 ALA H H 619 8.039 8.039 9.064 -1.025 18694 186 1 1 . 1 1 620 620 LEU N N 620 114.041 114.041 117.041 -3.000 18694 187 1 1 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.253 -0.206 18694 188 1 1 . 1 1 620 620 LEU C C 620 178.288 178.288 177.546 0.742 18694 189 1 1 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.070 0.069 18694 190 1 1 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.583 0.564 18694 191 1 1 . 1 1 620 620 LEU H H 620 7.606 7.606 8.176 -0.570 18694 192 1 1 . 1 1 621 621 LYS N N 621 115.255 115.255 115.211 0.044 18694 193 1 1 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.333 0.004 18694 194 1 1 . 1 1 621 621 LYS C C 621 175.867 175.867 175.581 0.286 18694 195 1 1 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.506 -0.053 18694 196 1 1 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.564 0.317 18694 197 1 1 . 1 1 621 621 LYS H H 621 7.272 7.272 7.501 -0.229 18694 198 1 1 . 1 1 622 622 ASP N N 622 123.382 123.382 120.218 3.164 18694 199 1 1 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.714 -0.221 18694 200 1 1 . 1 1 622 622 ASP C C 622 178.117 178.117 177.049 1.068 18694 201 1 1 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.725 1.159 18694 202 1 1 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.987 1.000 18694 203 1 1 . 1 1 622 622 ASP H H 622 7.454 7.454 7.631 -0.177 18694 204 1 1 . 1 1 623 623 ARG N N 623 130.356 130.356 125.921 4.435 18694 205 1 1 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.144 -0.057 18694 206 1 1 . 1 1 623 623 ARG C C 623 178.321 178.321 178.420 -0.099 18694 207 1 1 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.911 -0.122 18694 208 1 1 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.982 -0.471 18694 209 1 1 . 1 1 623 623 ARG H H 623 9.107 9.107 8.828 0.279 18694 210 1 1 . 1 1 624 624 ARG N N 624 119.125 119.125 119.806 -0.681 18694 211 1 1 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.061 -0.227 18694 212 1 1 . 1 1 624 624 ARG C C 624 178.521 178.521 178.523 -0.002 18694 213 1 1 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.166 -0.486 18694 214 1 1 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.874 -1.775 18694 215 1 1 . 1 1 624 624 ARG H H 624 9.582 9.582 8.222 1.360 18694 216 1 1 . 1 1 625 625 MET N N 625 120.202 120.202 119.274 0.928 18694 217 1 1 . 1 1 625 625 MET HA H 625 4.527 4.527 4.137 0.390 18694 218 1 1 . 1 1 625 625 MET C C 625 178.749 178.749 177.928 0.821 18694 219 1 1 . 1 1 625 625 MET CA C 625 56.796 56.796 58.913 -2.117 18694 220 1 1 . 1 1 625 625 MET CB C 625 30.890 30.890 32.462 -1.573 18694 221 1 1 . 1 1 625 625 MET H H 625 7.953 7.953 7.804 0.149 18694 222 1 1 . 1 1 626 626 GLU N N 626 117.897 117.897 119.672 -1.775 18694 223 1 1 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.913 0.147 18694 224 1 1 . 1 1 626 626 GLU C C 626 179.640 179.640 179.075 0.565 18694 225 1 1 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.731 -0.751 18694 226 1 1 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.244 -0.712 18694 227 1 1 . 1 1 626 626 GLU H H 626 7.431 7.431 7.833 -0.402 18694 228 1 1 . 1 1 627 627 ASN N N 627 117.950 117.950 118.555 -0.605 18694 229 1 1 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.458 0.031 18694 230 1 1 . 1 1 627 627 ASN C C 627 177.540 177.540 177.969 -0.429 18694 231 1 1 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.017 -0.219 18694 232 1 1 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.609 -1.105 18694 233 1 1 . 1 1 627 627 ASN H H 627 7.442 7.442 8.384 -0.942 18694 234 1 1 . 1 1 628 628 LEU N N 628 124.396 124.396 121.392 3.004 18694 235 1 1 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.206 -0.017 18694 236 1 1 . 1 1 628 628 LEU C C 628 177.838 177.838 178.299 -0.461 18694 237 1 1 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.317 1.025 18694 238 1 1 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.709 -0.008 18694 239 1 1 . 1 1 628 628 LEU H H 628 7.873 7.873 7.480 0.393 18694 240 1 1 . 1 1 629 629 VAL N N 629 120.503 120.503 120.478 0.025 18694 241 1 1 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.640 -0.157 18694 242 1 1 . 1 1 629 629 VAL C C 629 177.552 177.552 178.036 -0.484 18694 243 1 1 . 1 1 629 629 VAL CA C 629 67.225 67.225 67.135 0.090 18694 244 1 1 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.146 0.541 18694 245 1 1 . 1 1 629 629 VAL H H 629 8.246 8.246 8.127 0.119 18694 246 1 1 . 1 1 630 630 ALA N N 630 120.687 120.687 122.631 -1.944 18694 247 1 1 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.058 -0.026 18694 248 1 1 . 1 1 630 630 ALA C C 630 180.849 180.849 179.401 1.448 18694 249 1 1 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.166 0.248 18694 250 1 1 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.119 -0.027 18694 251 1 1 . 1 1 630 630 ALA H H 630 8.159 8.159 8.360 -0.201 18694 252 1 1 . 1 1 631 631 TYR N N 631 121.083 121.083 120.387 0.696 18694 253 1 1 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.049 0.190 18694 254 1 1 . 1 1 631 631 TYR C C 631 177.591 177.591 177.299 0.292 18694 255 1 1 . 1 1 631 631 TYR CA C 631 61.311 61.311 61.472 -0.161 18694 256 1 1 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.319 -0.100 18694 257 1 1 . 1 1 631 631 TYR H H 631 8.102 8.102 8.200 -0.098 18694 258 1 1 . 1 1 632 632 ALA N N 632 122.444 122.444 121.358 1.086 18694 259 1 1 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.925 -0.243 18694 260 1 1 . 1 1 632 632 ALA C C 632 179.014 179.014 179.684 -0.670 18694 261 1 1 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.303 0.039 18694 262 1 1 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.016 1.808 18694 263 1 1 . 1 1 632 632 ALA H H 632 8.292 8.292 8.241 0.051 18694 264 1 1 . 1 1 633 633 LYS N N 633 115.912 115.912 118.360 -2.448 18694 265 1 1 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.956 0.054 18694 266 1 1 . 1 1 633 633 LYS C C 633 180.004 180.004 178.653 1.351 18694 267 1 1 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.276 0.428 18694 268 1 1 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.927 0.740 18694 269 1 1 . 1 1 633 633 LYS H H 633 8.548 8.548 7.813 0.735 18694 270 1 1 . 1 1 634 634 LYS N N 634 123.870 123.870 120.471 3.399 18694 271 1 1 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.921 0.091 18694 272 1 1 . 1 1 634 634 LYS C C 634 178.603 178.603 178.702 -0.099 18694 273 1 1 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.633 -0.531 18694 274 1 1 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.164 -0.375 18694 275 1 1 . 1 1 634 634 LYS H H 634 7.943 7.943 7.838 0.105 18694 276 1 1 . 1 1 635 635 VAL N N 635 119.215 119.215 119.029 0.186 18694 277 1 1 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.427 0.249 18694 278 1 1 . 1 1 635 635 VAL C C 635 178.574 178.574 177.392 1.182 18694 279 1 1 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.926 -0.826 18694 280 1 1 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.477 0.134 18694 281 1 1 . 1 1 635 635 VAL H H 635 8.165 8.165 8.002 0.163 18694 282 1 1 . 1 1 636 636 GLU N N 636 120.094 120.094 119.844 0.250 18694 283 1 1 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.025 -0.163 18694 284 1 1 . 1 1 636 636 GLU C C 636 178.666 178.666 179.183 -0.517 18694 285 1 1 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.859 1.830 18694 286 1 1 . 1 1 636 636 GLU CB C 636 28.719 28.719 29.301 -0.582 18694 287 1 1 . 1 1 636 636 GLU H H 636 8.331 8.331 8.002 0.329 18694 288 1 1 . 1 1 637 637 GLY N N 637 106.839 106.839 107.508 -0.669 18694 289 1 1 . 1 1 637 637 GLY C C 637 176.614 176.614 176.138 0.476 18694 290 1 1 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.980 0.358 18694 291 1 1 . 1 1 637 637 GLY H H 637 8.145 8.145 8.241 -0.096 18694 292 1 1 . 1 1 638 638 ASP N N 638 122.731 122.731 122.422 0.309 18694 293 1 1 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.417 0.126 18694 294 1 1 . 1 1 638 638 ASP C C 638 180.109 180.109 179.140 0.969 18694 295 1 1 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.643 0.251 18694 296 1 1 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.169 -1.081 18694 297 1 1 . 1 1 638 638 ASP H H 638 8.338 8.338 8.095 0.243 18694 298 1 1 . 1 1 639 639 MET N N 639 121.055 121.055 119.201 1.854 18694 299 1 1 . 1 1 639 639 MET HA H 639 4.389 4.389 4.241 0.148 18694 300 1 1 . 1 1 639 639 MET C C 639 177.737 177.737 178.401 -0.664 18694 301 1 1 . 1 1 639 639 MET CA C 639 58.675 58.675 57.282 1.393 18694 302 1 1 . 1 1 639 639 MET CB C 639 32.530 32.530 31.436 1.095 18694 303 1 1 . 1 1 639 639 MET H H 639 8.193 8.193 8.477 -0.284 18694 304 1 1 . 1 1 640 640 TYR N N 640 121.235 121.235 119.773 1.462 18694 305 1 1 . 1 1 640 640 TYR HA H 640 4.298 4.298 4.008 0.290 18694 306 1 1 . 1 1 640 640 TYR C C 640 178.311 178.311 176.659 1.652 18694 307 1 1 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.269 0.638 18694 308 1 1 . 1 1 640 640 TYR CB C 640 38.950 38.950 38.058 0.892 18694 309 1 1 . 1 1 640 640 TYR H H 640 9.328 9.328 8.078 1.250 18694 310 1 1 . 1 1 641 641 GLU N N 641 115.098 115.098 116.471 -1.373 18694 311 1 1 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.798 0.568 18694 312 1 1 . 1 1 641 641 GLU C C 641 178.006 178.006 178.964 -0.958 18694 313 1 1 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.883 -1.437 18694 314 1 1 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.348 0.354 18694 315 1 1 . 1 1 641 641 GLU H H 641 8.079 8.079 7.919 0.160 18694 316 1 1 . 1 1 642 642 SER N N 642 112.869 112.869 115.205 -2.336 18694 317 1 1 . 1 1 642 642 SER HA H 642 4.394 4.394 4.280 0.114 18694 318 1 1 . 1 1 642 642 SER C C 642 175.251 175.251 176.392 -1.141 18694 319 1 1 . 1 1 642 642 SER CA C 642 60.175 60.175 60.465 -0.291 18694 320 1 1 . 1 1 642 642 SER CB C 642 64.388 64.388 63.092 1.296 18694 321 1 1 . 1 1 642 642 SER H H 642 7.968 7.968 7.686 0.282 18694 322 1 1 . 1 1 643 643 ALA N N 643 123.763 123.763 122.694 1.069 18694 323 1 1 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.281 -0.054 18694 324 1 1 . 1 1 643 643 ALA C C 643 177.897 177.897 176.912 0.985 18694 325 1 1 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.866 -0.267 18694 326 1 1 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.582 2.110 18694 327 1 1 . 1 1 643 643 ALA H H 643 8.096 8.096 8.219 -0.123 18694 328 1 1 . 1 1 644 644 ASN N N 644 117.176 117.176 116.761 0.415 18694 329 1 1 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.514 0.596 18694 330 1 1 . 1 1 644 644 ASN C C 644 173.978 173.978 174.104 -0.126 18694 331 1 1 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.372 -0.018 18694 332 1 1 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.672 1.547 18694 333 1 1 . 1 1 644 644 ASN H H 644 9.102 9.102 8.054 1.048 18694 334 1 1 . 1 1 645 645 SER N N 645 111.225 111.225 113.247 -2.022 18694 335 1 1 . 1 1 645 645 SER HA H 645 3.632 3.632 4.523 -0.891 18694 336 1 1 . 1 1 645 645 SER C C 645 171.965 171.965 173.992 -2.027 18694 337 1 1 . 1 1 645 645 SER CA C 645 56.522 56.522 57.585 -1.063 18694 338 1 1 . 1 1 645 645 SER CB C 645 64.968 64.968 64.787 0.181 18694 339 1 1 . 1 1 645 645 SER H H 645 6.865 6.865 7.261 -0.396 18694 340 1 1 . 1 1 646 646 ARG N N 646 121.944 121.944 123.839 -1.895 18694 341 1 1 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.157 -0.971 18694 342 1 1 . 1 1 646 646 ARG C C 646 177.709 177.709 178.333 -0.624 18694 343 1 1 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.790 -0.759 18694 344 1 1 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.937 0.316 18694 345 1 1 . 1 1 646 646 ARG H H 646 8.685 8.685 8.810 -0.125 18694 346 1 1 . 1 1 647 647 ASP N N 647 116.817 116.817 118.132 -1.315 18694 347 1 1 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.462 -0.167 18694 348 1 1 . 1 1 647 647 ASP C C 647 178.860 178.860 178.346 0.514 18694 349 1 1 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.617 -0.492 18694 350 1 1 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.317 -0.028 18694 351 1 1 . 1 1 647 647 ASP H H 647 8.119 8.119 8.512 -0.393 18694 352 1 1 . 1 1 648 648 GLU N N 648 121.231 121.231 120.858 0.373 18694 353 1 1 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.084 -0.094 18694 354 1 1 . 1 1 648 648 GLU C C 648 177.064 177.064 178.293 -1.229 18694 355 1 1 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.567 -0.305 18694 356 1 1 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.310 0.828 18694 357 1 1 . 1 1 648 648 GLU H H 648 7.799 7.799 8.312 -0.513 18694 358 1 1 . 1 1 649 649 TYR N N 649 122.045 122.045 120.687 1.358 18694 359 1 1 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.202 -0.203 18694 360 1 1 . 1 1 649 649 TYR C C 649 176.140 176.140 177.620 -1.480 18694 361 1 1 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.799 -0.130 18694 362 1 1 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.480 0.477 18694 363 1 1 . 1 1 649 649 TYR H H 649 7.338 7.338 8.180 -0.842 18694 364 1 1 . 1 1 650 650 TYR N N 650 115.581 115.581 118.982 -3.401 18694 365 1 1 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.906 0.093 18694 366 1 1 . 1 1 650 650 TYR C C 650 179.058 179.058 177.678 1.380 18694 367 1 1 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.057 -1.564 18694 368 1 1 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.710 -1.068 18694 369 1 1 . 1 1 650 650 TYR H H 650 8.072 8.072 8.084 -0.012 18694 370 1 1 . 1 1 651 651 HIS N N 651 118.435 118.435 119.548 -1.113 18694 371 1 1 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.295 0.018 18694 372 1 1 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.361 -1.058 18694 373 1 1 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.438 -2.182 18694 374 1 1 . 1 1 651 651 HIS H H 651 8.311 8.311 8.064 0.247 18694 375 1 1 . 1 1 652 652 LEU N N 652 121.135 121.135 119.913 1.222 18694 376 1 1 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.948 0.045 18694 377 1 1 . 1 1 652 652 LEU C C 652 180.822 180.822 179.276 1.546 18694 378 1 1 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.391 -0.498 18694 379 1 1 . 1 1 652 652 LEU CB C 652 42.037 42.037 42.045 -0.009 18694 380 1 1 . 1 1 652 652 LEU H H 652 9.141 9.141 8.481 0.660 18694 381 1 1 . 1 1 653 653 LEU N N 653 120.947 120.947 118.576 2.371 18694 382 1 1 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.795 0.038 18694 383 1 1 . 1 1 653 653 LEU C C 653 178.085 178.085 178.727 -0.642 18694 384 1 1 . 1 1 653 653 LEU CA C 653 58.338 58.338 57.990 0.348 18694 385 1 1 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.295 0.591 18694 386 1 1 . 1 1 653 653 LEU H H 653 7.769 7.769 7.314 0.455 18694 387 1 1 . 1 1 654 654 ALA N N 654 120.863 120.863 120.866 -0.003 18694 388 1 1 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.731 0.153 18694 389 1 1 . 1 1 654 654 ALA C C 654 180.274 180.274 179.275 0.999 18694 390 1 1 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.061 0.295 18694 391 1 1 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.644 0.546 18694 392 1 1 . 1 1 654 654 ALA H H 654 8.111 8.111 7.909 0.202 18694 393 1 1 . 1 1 655 655 GLU N N 655 118.047 118.047 118.349 -0.302 18694 394 1 1 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.804 0.214 18694 395 1 1 . 1 1 655 655 GLU C C 655 178.311 178.311 178.673 -0.362 18694 396 1 1 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.403 -0.324 18694 397 1 1 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.322 0.092 18694 398 1 1 . 1 1 655 655 GLU H H 655 8.363 8.363 8.088 0.275 18694 399 1 1 . 1 1 656 656 LYS N N 656 120.122 120.122 118.711 1.411 18694 400 1 1 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.077 -0.027 18694 401 1 1 . 1 1 656 656 LYS C C 656 178.388 178.388 179.297 -0.909 18694 402 1 1 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.278 -0.149 18694 403 1 1 . 1 1 656 656 LYS CB C 656 31.410 31.410 31.841 -0.431 18694 404 1 1 . 1 1 656 656 LYS H H 656 7.852 7.852 7.488 0.364 18694 405 1 1 . 1 1 657 657 ILE N N 657 118.294 118.294 120.788 -2.494 18694 406 1 1 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.637 -0.246 18694 407 1 1 . 1 1 657 657 ILE C C 657 177.061 177.061 177.963 -0.902 18694 408 1 1 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.845 0.681 18694 409 1 1 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.865 0.035 18694 410 1 1 . 1 1 657 657 ILE H H 657 8.199 8.199 7.965 0.234 18694 411 1 1 . 1 1 658 658 TYR N N 658 119.430 119.430 120.720 -1.290 18694 412 1 1 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.391 -0.088 18694 413 1 1 . 1 1 658 658 TYR C C 658 177.869 177.869 177.830 0.039 18694 414 1 1 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.194 0.675 18694 415 1 1 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.188 0.017 18694 416 1 1 . 1 1 658 658 TYR H H 658 8.066 8.066 8.218 -0.152 18694 417 1 1 . 1 1 659 659 LYS N N 659 118.321 118.321 120.079 -1.758 18694 418 1 1 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.935 -0.121 18694 419 1 1 . 1 1 659 659 LYS C C 659 180.019 180.019 178.916 1.103 18694 420 1 1 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.986 0.874 18694 421 1 1 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.719 0.972 18694 422 1 1 . 1 1 659 659 LYS H H 659 8.309 8.309 7.983 0.326 18694 423 1 1 . 1 1 660 660 ILE N N 660 121.103 121.103 119.477 1.626 18694 424 1 1 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.589 -0.003 18694 425 1 1 . 1 1 660 660 ILE C C 660 177.404 177.404 178.180 -0.776 18694 426 1 1 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.202 0.874 18694 427 1 1 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.849 0.535 18694 428 1 1 . 1 1 660 660 ILE H H 660 8.546 8.546 8.305 0.241 18694 429 1 1 . 1 1 661 661 GLN N N 661 118.093 118.093 118.465 -0.372 18694 430 1 1 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.897 0.034 18694 431 1 1 . 1 1 661 661 GLN C C 661 179.682 179.682 178.147 1.535 18694 432 1 1 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.088 0.780 18694 433 1 1 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.488 -0.427 18694 434 1 1 . 1 1 661 661 GLN H H 661 8.554 8.554 8.304 0.250 18694 435 1 1 . 1 1 662 662 LYS N N 662 119.532 119.532 120.160 -0.628 18694 436 1 1 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.822 0.139 18694 437 1 1 . 1 1 662 662 LYS C C 662 178.745 178.745 178.809 -0.064 18694 438 1 1 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.459 -0.938 18694 439 1 1 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.139 -0.517 18694 440 1 1 . 1 1 662 662 LYS H H 662 8.110 8.110 7.718 0.392 18694 441 1 1 . 1 1 663 663 GLU N N 663 121.313 121.313 119.152 2.161 18694 442 1 1 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.044 -0.023 18694 443 1 1 . 1 1 663 663 GLU C C 663 179.429 179.429 179.156 0.273 18694 444 1 1 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.334 0.159 18694 445 1 1 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.296 -0.132 18694 446 1 1 . 1 1 663 663 GLU H H 663 8.011 8.011 7.783 0.228 18694 447 1 1 . 1 1 664 664 LEU N N 664 119.460 119.460 119.723 -0.263 18694 448 1 1 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.929 -0.011 18694 449 1 1 . 1 1 664 664 LEU C C 664 178.785 178.785 179.364 -0.579 18694 450 1 1 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.085 0.089 18694 451 1 1 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.541 0.364 18694 452 1 1 . 1 1 664 664 LEU H H 664 8.342 8.342 7.735 0.607 18694 453 1 1 . 1 1 665 665 GLU N N 665 118.822 118.822 117.855 0.967 18694 454 1 1 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.986 -0.013 18694 455 1 1 . 1 1 665 665 GLU C C 665 179.161 179.161 179.223 -0.062 18694 456 1 1 . 1 1 665 665 GLU CA C 665 58.815 58.815 58.858 -0.043 18694 457 1 1 . 1 1 665 665 GLU CB C 665 29.133 29.133 28.938 0.195 18694 458 1 1 . 1 1 665 665 GLU H H 665 8.018 8.018 7.697 0.321 18694 459 1 1 . 1 1 666 666 GLU N N 666 118.722 118.722 119.699 -0.977 18694 460 1 1 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.046 -0.074 18694 461 1 1 . 1 1 666 666 GLU C C 666 179.536 179.536 179.477 0.059 18694 462 1 1 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.172 -0.262 18694 463 1 1 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.797 -0.916 18694 464 1 1 . 1 1 666 666 GLU H H 666 8.014 8.014 8.324 -0.310 18694 465 1 1 . 1 1 667 667 LYS N N 667 119.177 119.177 118.701 0.476 18694 466 1 1 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.055 0.086 18694 467 1 1 . 1 1 667 667 LYS C C 667 179.425 179.425 178.972 0.453 18694 468 1 1 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.948 -1.565 18694 469 1 1 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.121 -0.116 18694 470 1 1 . 1 1 667 667 LYS H H 667 8.056 8.056 8.191 -0.135 18694 471 1 1 . 1 1 668 668 ARG N N 668 119.491 119.491 119.653 -0.162 18694 472 1 1 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.100 -0.141 18694 473 1 1 . 1 1 668 668 ARG C C 668 178.260 178.260 178.413 -0.153 18694 474 1 1 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.365 0.599 18694 475 1 1 . 1 1 668 668 ARG CB C 668 30.211 30.211 30.000 0.211 18694 476 1 1 . 1 1 668 668 ARG H H 668 8.218 8.218 8.094 0.124 18694 477 1 1 . 1 1 669 669 ARG N N 669 117.972 117.972 120.314 -2.342 18694 478 1 1 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.148 0.022 18694 479 1 1 . 1 1 669 669 ARG C C 669 177.325 177.325 177.637 -0.312 18694 480 1 1 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.565 -1.014 18694 481 1 1 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.100 0.009 18694 482 1 1 . 1 1 669 669 ARG H H 669 7.793 7.793 7.485 0.308 18694 483 1 1 . 1 1 670 670 SER N N 670 114.336 114.336 113.388 0.948 18694 484 1 1 . 1 1 670 670 SER HA H 670 4.410 4.410 4.484 -0.074 18694 485 1 1 . 1 1 670 670 SER C C 670 174.266 174.266 174.537 -0.271 18694 486 1 1 . 1 1 670 670 SER CA C 670 58.946 58.946 57.159 1.787 18694 487 1 1 . 1 1 670 670 SER CB C 670 63.814 63.814 63.428 0.386 18694 488 1 1 . 1 1 670 670 SER H H 670 7.794 7.794 7.757 0.037 18694 489 1 1 . 1 1 671 671 ARG N N 671 122.062 122.062 121.080 0.982 18694 490 1 1 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.166 0.181 18694 491 1 1 . 1 1 671 671 ARG C C 671 175.272 175.272 175.525 -0.253 18694 492 1 1 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.412 -0.291 18694 493 1 1 . 1 1 671 671 ARG CB C 671 30.507 30.507 30.690 -0.183 18694 494 1 1 . 1 1 671 671 ARG H H 671 7.740 7.740 7.512 0.228 18694 495 1 2 . 1 1 587 587 VAL N N 587 119.752 119.752 119.811 -0.059 18694 496 1 2 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.478 -0.380 18694 497 1 2 . 1 1 587 587 VAL C C 587 176.340 176.340 176.150 0.190 18694 498 1 2 . 1 1 587 587 VAL CA C 587 62.229 62.229 61.038 1.191 18694 499 1 2 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.674 -0.892 18694 500 1 2 . 1 1 587 587 VAL H H 587 8.027 8.027 7.978 0.049 18694 501 1 2 . 1 1 588 588 ARG N N 588 125.669 125.669 121.048 4.621 18694 502 1 2 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.301 0.021 18694 503 1 2 . 1 1 588 588 ARG C C 588 176.109 176.109 176.184 -0.075 18694 504 1 2 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.315 -0.148 18694 505 1 2 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.420 0.231 18694 506 1 2 . 1 1 588 588 ARG H H 588 8.528 8.528 8.426 0.102 18694 507 1 2 . 1 1 589 589 LYS N N 589 121.018 121.018 121.510 -0.492 18694 508 1 2 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.141 0.045 18694 509 1 2 . 1 1 589 589 LYS C C 589 177.598 177.598 174.740 2.858 18694 510 1 2 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.678 -0.755 18694 511 1 2 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.074 0.515 18694 512 1 2 . 1 1 589 589 LYS H H 589 8.116 8.116 7.589 0.527 18694 513 1 2 . 1 1 590 590 GLY N N 590 112.531 112.531 114.240 -1.709 18694 514 1 2 . 1 1 590 590 GLY C C 590 176.465 176.465 173.574 2.891 18694 515 1 2 . 1 1 590 590 GLY CA C 590 47.196 47.196 45.035 2.161 18694 516 1 2 . 1 1 590 590 GLY H H 590 8.669 8.669 8.134 0.535 18694 517 1 2 . 1 1 591 591 TRP N N 591 119.435 119.435 122.336 -2.901 18694 518 1 2 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.558 -0.053 18694 519 1 2 . 1 1 591 591 TRP C C 591 178.177 178.177 175.932 2.245 18694 520 1 2 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.781 0.347 18694 521 1 2 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.166 -1.412 18694 522 1 2 . 1 1 591 591 TRP H H 591 8.026 8.026 7.310 0.716 18694 523 1 2 . 1 1 592 592 HIS N N 592 119.340 119.340 118.453 0.887 18694 524 1 2 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.745 -1.244 18694 525 1 2 . 1 1 592 592 HIS CA C 592 56.278 56.278 58.764 -2.486 18694 526 1 2 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.118 -1.634 18694 527 1 2 . 1 1 592 592 HIS H H 592 7.165 7.165 8.906 -1.741 18694 528 1 2 . 1 1 593 593 GLU N N 593 116.536 116.536 119.838 -3.302 18694 529 1 2 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.136 -0.156 18694 530 1 2 . 1 1 593 593 GLU C C 593 176.675 176.675 177.171 -0.496 18694 531 1 2 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.899 -0.791 18694 532 1 2 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.545 0.635 18694 533 1 2 . 1 1 593 593 GLU H H 593 7.726 7.726 8.849 -1.123 18694 534 1 2 . 1 1 594 594 HIS N N 594 112.885 112.885 114.663 -1.778 18694 535 1 2 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.570 0.380 18694 536 1 2 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.667 -1.403 18694 537 1 2 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.073 0.109 18694 538 1 2 . 1 1 594 594 HIS H H 594 7.530 7.530 8.619 -1.089 18694 539 1 2 . 1 1 595 595 VAL N N 595 120.678 120.678 118.152 2.526 18694 540 1 2 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.225 0.275 18694 541 1 2 . 1 1 595 595 VAL C C 595 174.593 174.593 174.869 -0.276 18694 542 1 2 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.710 1.333 18694 543 1 2 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.742 -1.380 18694 544 1 2 . 1 1 595 595 VAL H H 595 7.492 7.492 7.716 -0.224 18694 545 1 2 . 1 1 596 596 THR N N 596 115.525 115.525 119.012 -3.487 18694 546 1 2 . 1 1 596 596 THR HA H 596 4.494 4.494 4.552 -0.058 18694 547 1 2 . 1 1 596 596 THR C C 596 175.419 175.419 175.679 -0.260 18694 548 1 2 . 1 1 596 596 THR CA C 596 60.001 60.001 60.392 -0.391 18694 549 1 2 . 1 1 596 596 THR CB C 596 71.072 71.072 70.545 0.527 18694 550 1 2 . 1 1 596 596 THR H H 596 7.583 7.583 8.342 -0.759 18694 551 1 2 . 1 1 597 597 GLN N N 597 120.346 120.346 126.431 -6.085 18694 552 1 2 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.024 -0.206 18694 553 1 2 . 1 1 597 597 GLN C C 597 178.079 178.079 177.820 0.259 18694 554 1 2 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.424 -0.670 18694 555 1 2 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.689 -0.677 18694 556 1 2 . 1 1 597 597 GLN H H 597 8.929 8.929 8.959 -0.030 18694 557 1 2 . 1 1 598 598 ASP N N 598 117.842 117.842 120.279 -2.437 18694 558 1 2 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.388 -0.048 18694 559 1 2 . 1 1 598 598 ASP C C 598 178.494 178.494 178.327 0.167 18694 560 1 2 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.162 -0.269 18694 561 1 2 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.647 -0.113 18694 562 1 2 . 1 1 598 598 ASP H H 598 8.382 8.382 7.832 0.550 18694 563 1 2 . 1 1 599 599 LEU N N 599 123.174 123.174 120.488 2.686 18694 564 1 2 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.058 0.185 18694 565 1 2 . 1 1 599 599 LEU C C 599 179.129 179.129 178.712 0.417 18694 566 1 2 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.016 0.427 18694 567 1 2 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.947 -0.313 18694 568 1 2 . 1 1 599 599 LEU H H 599 7.671 7.671 7.369 0.302 18694 569 1 2 . 1 1 600 600 ARG N N 600 118.132 118.132 118.605 -0.473 18694 570 1 2 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.312 0.010 18694 571 1 2 . 1 1 600 600 ARG C C 600 179.103 179.103 179.243 -0.140 18694 572 1 2 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.615 0.781 18694 573 1 2 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.286 0.234 18694 574 1 2 . 1 1 600 600 ARG H H 600 7.768 7.768 7.802 -0.034 18694 575 1 2 . 1 1 601 601 SER N N 601 112.865 112.865 115.046 -2.181 18694 576 1 2 . 1 1 601 601 SER HA H 601 4.134 4.134 4.205 -0.071 18694 577 1 2 . 1 1 601 601 SER C C 601 177.665 177.665 176.564 1.101 18694 578 1 2 . 1 1 601 601 SER CA C 601 61.534 61.534 62.159 -0.625 18694 579 1 2 . 1 1 601 601 SER CB C 601 62.758 62.758 62.938 -0.180 18694 580 1 2 . 1 1 601 601 SER H H 601 8.501 8.501 8.391 0.110 18694 581 1 2 . 1 1 602 602 HIS N N 602 121.543 121.543 123.658 -2.115 18694 582 1 2 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.375 0.118 18694 583 1 2 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.154 -1.246 18694 584 1 2 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.309 -2.220 18694 585 1 2 . 1 1 602 602 HIS H H 602 8.098 8.098 8.438 -0.340 18694 586 1 2 . 1 1 603 603 LEU N N 603 122.394 122.394 118.944 3.450 18694 587 1 2 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.940 0.088 18694 588 1 2 . 1 1 603 603 LEU C C 603 179.275 179.275 179.086 0.189 18694 589 1 2 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.970 0.127 18694 590 1 2 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.910 -1.688 18694 591 1 2 . 1 1 603 603 LEU H H 603 8.293 8.293 8.152 0.141 18694 592 1 2 . 1 1 604 604 VAL N N 604 120.325 120.325 120.197 0.128 18694 593 1 2 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.497 -0.069 18694 594 1 2 . 1 1 604 604 VAL C C 604 178.026 178.026 177.993 0.033 18694 595 1 2 . 1 1 604 604 VAL CA C 604 67.892 67.892 67.367 0.525 18694 596 1 2 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.302 0.301 18694 597 1 2 . 1 1 604 604 VAL H H 604 8.409 8.409 7.811 0.598 18694 598 1 2 . 1 1 605 605 HIS N N 605 116.275 116.275 118.194 -1.919 18694 599 1 2 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.242 0.010 18694 600 1 2 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.329 -1.238 18694 601 1 2 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.433 -1.553 18694 602 1 2 . 1 1 605 605 HIS H H 605 7.908 7.908 7.966 -0.058 18694 603 1 2 . 1 1 606 606 LYS N N 606 119.506 119.506 120.361 -0.855 18694 604 1 2 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.950 0.323 18694 605 1 2 . 1 1 606 606 LYS C C 606 178.947 178.947 178.929 0.018 18694 606 1 2 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.678 -0.874 18694 607 1 2 . 1 1 606 606 LYS H H 606 8.092 8.092 7.911 0.181 18694 608 1 2 . 1 1 607 607 LEU N N 607 121.321 121.321 121.370 -0.049 18694 609 1 2 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.944 0.014 18694 610 1 2 . 1 1 607 607 LEU C C 607 177.899 177.899 178.347 -0.448 18694 611 1 2 . 1 1 607 607 LEU CA C 607 58.826 58.826 58.093 0.733 18694 612 1 2 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.042 0.481 18694 613 1 2 . 1 1 607 607 LEU H H 607 7.994 7.994 8.157 -0.163 18694 614 1 2 . 1 1 608 608 VAL N N 608 118.191 118.191 119.153 -0.962 18694 615 1 2 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.589 -0.242 18694 616 1 2 . 1 1 608 608 VAL C C 608 177.033 177.033 178.271 -1.238 18694 617 1 2 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.497 1.446 18694 618 1 2 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.749 0.903 18694 619 1 2 . 1 1 608 608 VAL H H 608 8.036 8.036 8.277 -0.241 18694 620 1 2 . 1 1 609 609 GLN N N 609 116.772 116.772 120.120 -3.348 18694 621 1 2 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.219 -0.331 18694 622 1 2 . 1 1 609 609 GLN C C 609 176.992 176.992 178.285 -1.293 18694 623 1 2 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.895 -0.787 18694 624 1 2 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.503 0.650 18694 625 1 2 . 1 1 609 609 GLN H H 609 8.108 8.108 8.508 -0.400 18694 626 1 2 . 1 1 610 610 ALA N N 610 119.316 119.316 120.997 -1.681 18694 627 1 2 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.132 -0.099 18694 628 1 2 . 1 1 610 610 ALA C C 610 178.498 178.498 179.424 -0.926 18694 629 1 2 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.691 -0.913 18694 630 1 2 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.575 0.817 18694 631 1 2 . 1 1 610 610 ALA H H 610 7.756 7.756 7.771 -0.015 18694 632 1 2 . 1 1 611 611 ILE N N 611 115.839 115.839 116.332 -0.493 18694 633 1 2 . 1 1 611 611 ILE HA H 611 3.675 3.675 3.929 -0.254 18694 634 1 2 . 1 1 611 611 ILE C C 611 174.299 174.299 175.632 -1.333 18694 635 1 2 . 1 1 611 611 ILE CA C 611 63.725 63.725 64.090 -0.365 18694 636 1 2 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.045 0.261 18694 637 1 2 . 1 1 611 611 ILE H H 611 7.498 7.498 7.328 0.170 18694 638 1 2 . 1 1 612 612 PHE N N 612 116.531 116.531 118.604 -2.073 18694 639 1 2 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.898 0.198 18694 640 1 2 . 1 1 612 612 PHE C C 612 171.610 171.610 173.627 -2.017 18694 641 1 2 . 1 1 612 612 PHE CA C 612 51.716 51.716 55.151 -3.435 18694 642 1 2 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.869 -2.187 18694 643 1 2 . 1 1 612 612 PHE H H 612 8.235 8.235 8.010 0.225 18694 644 1 2 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.564 0.009 18694 645 1 2 . 1 1 613 613 PRO C C 613 178.269 178.269 176.603 1.666 18694 646 1 2 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.917 0.861 18694 647 1 2 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.299 1.145 18694 648 1 2 . 1 1 614 614 THR N N 614 109.561 109.561 113.902 -4.341 18694 649 1 2 . 1 1 614 614 THR HA H 614 4.470 4.470 4.349 0.121 18694 650 1 2 . 1 1 614 614 THR C C 614 172.048 172.048 172.710 -0.662 18694 651 1 2 . 1 1 614 614 THR CA C 614 58.106 58.106 59.645 -1.540 18694 652 1 2 . 1 1 614 614 THR CB C 614 69.549 69.549 68.038 1.511 18694 653 1 2 . 1 1 614 614 THR H H 614 8.025 8.025 7.589 0.436 18694 654 1 2 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.629 -0.639 18694 655 1 2 . 1 1 615 615 PRO C C 615 176.462 176.462 176.163 0.299 18694 656 1 2 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.451 0.241 18694 657 1 2 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.221 0.081 18694 658 1 2 . 1 1 616 616 ASP N N 616 122.743 122.743 123.224 -0.481 18694 659 1 2 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.936 -0.183 18694 660 1 2 . 1 1 616 616 ASP C C 616 174.226 174.226 176.160 -1.934 18694 661 1 2 . 1 1 616 616 ASP CA C 616 51.858 51.858 50.729 1.129 18694 662 1 2 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.712 -2.782 18694 663 1 2 . 1 1 616 616 ASP H H 616 8.145 8.145 7.959 0.186 18694 664 1 2 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.271 -0.161 18694 665 1 2 . 1 1 617 617 PRO C C 617 178.885 178.885 177.574 1.311 18694 666 1 2 . 1 1 617 617 PRO CA C 617 66.015 66.015 65.341 0.674 18694 667 1 2 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.969 -0.035 18694 668 1 2 . 1 1 618 618 ALA N N 618 118.548 118.548 120.885 -2.337 18694 669 1 2 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.232 -0.149 18694 670 1 2 . 1 1 618 618 ALA C C 618 180.518 180.518 179.965 0.553 18694 671 1 2 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.416 0.306 18694 672 1 2 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.171 0.020 18694 673 1 2 . 1 1 618 618 ALA H H 618 8.093 8.093 7.838 0.255 18694 674 1 2 . 1 1 619 619 ALA N N 619 122.623 122.623 122.578 0.045 18694 675 1 2 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.044 0.281 18694 676 1 2 . 1 1 619 619 ALA C C 619 179.318 179.318 179.949 -0.631 18694 677 1 2 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.717 -0.031 18694 678 1 2 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.370 0.284 18694 679 1 2 . 1 1 619 619 ALA H H 619 8.039 8.039 8.802 -0.763 18694 680 1 2 . 1 1 620 620 LEU N N 620 114.041 114.041 116.629 -2.588 18694 681 1 2 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.186 -0.139 18694 682 1 2 . 1 1 620 620 LEU C C 620 178.288 178.288 177.447 0.841 18694 683 1 2 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.128 0.011 18694 684 1 2 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.583 0.564 18694 685 1 2 . 1 1 620 620 LEU H H 620 7.606 7.606 8.210 -0.604 18694 686 1 2 . 1 1 621 621 LYS N N 621 115.255 115.255 114.875 0.380 18694 687 1 2 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.281 0.056 18694 688 1 2 . 1 1 621 621 LYS C C 621 175.867 175.867 175.541 0.326 18694 689 1 2 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.429 0.024 18694 690 1 2 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.887 -0.006 18694 691 1 2 . 1 1 621 621 LYS H H 621 7.272 7.272 7.419 -0.147 18694 692 1 2 . 1 1 622 622 ASP N N 622 123.382 123.382 120.554 2.828 18694 693 1 2 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.625 -0.132 18694 694 1 2 . 1 1 622 622 ASP C C 622 178.117 178.117 177.108 1.009 18694 695 1 2 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.822 1.062 18694 696 1 2 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.763 1.224 18694 697 1 2 . 1 1 622 622 ASP H H 622 7.454 7.454 7.543 -0.089 18694 698 1 2 . 1 1 623 623 ARG N N 623 130.356 130.356 126.526 3.830 18694 699 1 2 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.111 -0.024 18694 700 1 2 . 1 1 623 623 ARG C C 623 178.321 178.321 178.367 -0.046 18694 701 1 2 . 1 1 623 623 ARG CA C 623 58.789 58.789 59.124 -0.335 18694 702 1 2 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.978 -0.467 18694 703 1 2 . 1 1 623 623 ARG H H 623 9.107 9.107 8.774 0.333 18694 704 1 2 . 1 1 624 624 ARG N N 624 119.125 119.125 119.518 -0.393 18694 705 1 2 . 1 1 624 624 ARG HA H 624 3.834 3.834 3.995 -0.161 18694 706 1 2 . 1 1 624 624 ARG C C 624 178.521 178.521 178.288 0.233 18694 707 1 2 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.082 -0.403 18694 708 1 2 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.610 -1.511 18694 709 1 2 . 1 1 624 624 ARG H H 624 9.582 9.582 7.856 1.726 18694 710 1 2 . 1 1 625 625 MET N N 625 120.202 120.202 119.110 1.092 18694 711 1 2 . 1 1 625 625 MET HA H 625 4.527 4.527 3.980 0.547 18694 712 1 2 . 1 1 625 625 MET C C 625 178.749 178.749 177.958 0.791 18694 713 1 2 . 1 1 625 625 MET CA C 625 56.796 56.796 58.649 -1.853 18694 714 1 2 . 1 1 625 625 MET CB C 625 30.890 30.890 32.208 -1.318 18694 715 1 2 . 1 1 625 625 MET H H 625 7.953 7.953 7.617 0.336 18694 716 1 2 . 1 1 626 626 GLU N N 626 117.897 117.897 119.510 -1.613 18694 717 1 2 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.860 0.200 18694 718 1 2 . 1 1 626 626 GLU C C 626 179.640 179.640 179.108 0.532 18694 719 1 2 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.714 -0.734 18694 720 1 2 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.227 -0.695 18694 721 1 2 . 1 1 626 626 GLU H H 626 7.431 7.431 7.852 -0.421 18694 722 1 2 . 1 1 627 627 ASN N N 627 117.950 117.950 118.545 -0.595 18694 723 1 2 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.433 0.056 18694 724 1 2 . 1 1 627 627 ASN C C 627 177.540 177.540 178.034 -0.494 18694 725 1 2 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.076 -0.278 18694 726 1 2 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.677 -1.173 18694 727 1 2 . 1 1 627 627 ASN H H 627 7.442 7.442 8.364 -0.922 18694 728 1 2 . 1 1 628 628 LEU N N 628 124.396 124.396 119.337 5.059 18694 729 1 2 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.249 -0.060 18694 730 1 2 . 1 1 628 628 LEU C C 628 177.838 177.838 178.399 -0.561 18694 731 1 2 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.183 1.159 18694 732 1 2 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.493 0.208 18694 733 1 2 . 1 1 628 628 LEU H H 628 7.873 7.873 7.600 0.273 18694 734 1 2 . 1 1 629 629 VAL N N 629 120.503 120.503 120.153 0.350 18694 735 1 2 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.491 -0.008 18694 736 1 2 . 1 1 629 629 VAL C C 629 177.552 177.552 178.047 -0.495 18694 737 1 2 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.717 0.508 18694 738 1 2 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.312 0.375 18694 739 1 2 . 1 1 629 629 VAL H H 629 8.246 8.246 8.306 -0.060 18694 740 1 2 . 1 1 630 630 ALA N N 630 120.687 120.687 122.789 -2.102 18694 741 1 2 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.988 0.044 18694 742 1 2 . 1 1 630 630 ALA C C 630 180.849 180.849 179.332 1.517 18694 743 1 2 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.200 0.214 18694 744 1 2 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.003 0.088 18694 745 1 2 . 1 1 630 630 ALA H H 630 8.159 8.159 8.351 -0.192 18694 746 1 2 . 1 1 631 631 TYR N N 631 121.083 121.083 120.069 1.014 18694 747 1 2 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.095 0.144 18694 748 1 2 . 1 1 631 631 TYR C C 631 177.591 177.591 177.180 0.411 18694 749 1 2 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.215 1.096 18694 750 1 2 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.152 0.067 18694 751 1 2 . 1 1 631 631 TYR H H 631 8.102 8.102 7.792 0.310 18694 752 1 2 . 1 1 632 632 ALA N N 632 122.444 122.444 121.727 0.717 18694 753 1 2 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.786 -0.104 18694 754 1 2 . 1 1 632 632 ALA C C 632 179.014 179.014 179.631 -0.617 18694 755 1 2 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.166 0.176 18694 756 1 2 . 1 1 632 632 ALA CB C 632 19.824 19.824 17.898 1.926 18694 757 1 2 . 1 1 632 632 ALA H H 632 8.292 8.292 7.802 0.490 18694 758 1 2 . 1 1 633 633 LYS N N 633 115.912 115.912 118.506 -2.594 18694 759 1 2 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.011 -0.001 18694 760 1 2 . 1 1 633 633 LYS C C 633 180.004 180.004 178.664 1.340 18694 761 1 2 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.070 0.634 18694 762 1 2 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.985 0.682 18694 763 1 2 . 1 1 633 633 LYS H H 633 8.548 8.548 7.818 0.730 18694 764 1 2 . 1 1 634 634 LYS N N 634 123.870 123.870 120.116 3.754 18694 765 1 2 . 1 1 634 634 LYS HA H 634 4.012 4.012 4.007 0.005 18694 766 1 2 . 1 1 634 634 LYS C C 634 178.603 178.603 178.725 -0.122 18694 767 1 2 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.151 -0.049 18694 768 1 2 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.996 -0.207 18694 769 1 2 . 1 1 634 634 LYS H H 634 7.943 7.943 7.627 0.316 18694 770 1 2 . 1 1 635 635 VAL N N 635 119.215 119.215 118.764 0.451 18694 771 1 2 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.498 0.178 18694 772 1 2 . 1 1 635 635 VAL C C 635 178.574 178.574 177.407 1.167 18694 773 1 2 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.550 -1.450 18694 774 1 2 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.308 0.303 18694 775 1 2 . 1 1 635 635 VAL H H 635 8.165 8.165 8.088 0.077 18694 776 1 2 . 1 1 636 636 GLU N N 636 120.094 120.094 119.722 0.372 18694 777 1 2 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.116 -0.254 18694 778 1 2 . 1 1 636 636 GLU C C 636 178.666 178.666 179.239 -0.573 18694 779 1 2 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.488 2.201 18694 780 1 2 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.935 -0.216 18694 781 1 2 . 1 1 636 636 GLU H H 636 8.331 8.331 7.843 0.488 18694 782 1 2 . 1 1 637 637 GLY N N 637 106.839 106.839 107.402 -0.563 18694 783 1 2 . 1 1 637 637 GLY C C 637 176.614 176.614 176.271 0.343 18694 784 1 2 . 1 1 637 637 GLY CA C 637 47.337 47.337 47.073 0.264 18694 785 1 2 . 1 1 637 637 GLY H H 637 8.145 8.145 8.319 -0.174 18694 786 1 2 . 1 1 638 638 ASP N N 638 122.731 122.731 122.748 -0.017 18694 787 1 2 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.448 0.095 18694 788 1 2 . 1 1 638 638 ASP C C 638 180.109 180.109 179.033 1.076 18694 789 1 2 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.895 -0.001 18694 790 1 2 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.148 -1.060 18694 791 1 2 . 1 1 638 638 ASP H H 638 8.338 8.338 8.290 0.048 18694 792 1 2 . 1 1 639 639 MET N N 639 121.055 121.055 118.986 2.069 18694 793 1 2 . 1 1 639 639 MET HA H 639 4.389 4.389 4.200 0.189 18694 794 1 2 . 1 1 639 639 MET C C 639 177.737 177.737 178.438 -0.701 18694 795 1 2 . 1 1 639 639 MET CA C 639 58.675 58.675 57.481 1.194 18694 796 1 2 . 1 1 639 639 MET CB C 639 32.530 32.530 31.444 1.087 18694 797 1 2 . 1 1 639 639 MET H H 639 8.193 8.193 8.587 -0.394 18694 798 1 2 . 1 1 640 640 TYR N N 640 121.235 121.235 119.795 1.440 18694 799 1 2 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.980 0.318 18694 800 1 2 . 1 1 640 640 TYR C C 640 178.311 178.311 176.586 1.725 18694 801 1 2 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.267 0.640 18694 802 1 2 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.975 0.975 18694 803 1 2 . 1 1 640 640 TYR H H 640 9.328 9.328 8.136 1.192 18694 804 1 2 . 1 1 641 641 GLU N N 641 115.098 115.098 116.624 -1.526 18694 805 1 2 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.883 0.483 18694 806 1 2 . 1 1 641 641 GLU C C 641 178.006 178.006 178.979 -0.973 18694 807 1 2 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.647 -1.201 18694 808 1 2 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.373 0.329 18694 809 1 2 . 1 1 641 641 GLU H H 641 8.079 8.079 7.657 0.422 18694 810 1 2 . 1 1 642 642 SER N N 642 112.869 112.869 115.346 -2.477 18694 811 1 2 . 1 1 642 642 SER HA H 642 4.394 4.394 4.291 0.103 18694 812 1 2 . 1 1 642 642 SER C C 642 175.251 175.251 176.566 -1.315 18694 813 1 2 . 1 1 642 642 SER CA C 642 60.175 60.175 60.295 -0.120 18694 814 1 2 . 1 1 642 642 SER CB C 642 64.388 64.388 63.085 1.303 18694 815 1 2 . 1 1 642 642 SER H H 642 7.968 7.968 7.669 0.299 18694 816 1 2 . 1 1 643 643 ALA N N 643 123.763 123.763 122.999 0.764 18694 817 1 2 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.246 -0.019 18694 818 1 2 . 1 1 643 643 ALA C C 643 177.897 177.897 177.111 0.786 18694 819 1 2 . 1 1 643 643 ALA CA C 643 52.599 52.599 53.058 -0.459 18694 820 1 2 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.417 2.275 18694 821 1 2 . 1 1 643 643 ALA H H 643 8.096 8.096 8.290 -0.194 18694 822 1 2 . 1 1 644 644 ASN N N 644 117.176 117.176 116.018 1.158 18694 823 1 2 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.523 0.587 18694 824 1 2 . 1 1 644 644 ASN C C 644 173.978 173.978 175.134 -1.156 18694 825 1 2 . 1 1 644 644 ASN CA C 644 53.354 53.354 54.019 -0.665 18694 826 1 2 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.976 1.243 18694 827 1 2 . 1 1 644 644 ASN H H 644 9.102 9.102 8.183 0.919 18694 828 1 2 . 1 1 645 645 SER N N 645 111.225 111.225 113.888 -2.663 18694 829 1 2 . 1 1 645 645 SER HA H 645 3.632 3.632 4.916 -1.284 18694 830 1 2 . 1 1 645 645 SER C C 645 171.965 171.965 174.890 -2.925 18694 831 1 2 . 1 1 645 645 SER CA C 645 56.522 56.522 57.231 -0.709 18694 832 1 2 . 1 1 645 645 SER CB C 645 64.968 64.968 66.890 -1.922 18694 833 1 2 . 1 1 645 645 SER H H 645 6.865 6.865 7.447 -0.582 18694 834 1 2 . 1 1 646 646 ARG N N 646 121.944 121.944 123.595 -1.651 18694 835 1 2 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.036 -0.850 18694 836 1 2 . 1 1 646 646 ARG C C 646 177.709 177.709 178.172 -0.463 18694 837 1 2 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.866 -0.835 18694 838 1 2 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.590 0.663 18694 839 1 2 . 1 1 646 646 ARG H H 646 8.685 8.685 9.021 -0.336 18694 840 1 2 . 1 1 647 647 ASP N N 647 116.817 116.817 118.200 -1.383 18694 841 1 2 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.520 -0.225 18694 842 1 2 . 1 1 647 647 ASP C C 647 178.860 178.860 178.446 0.414 18694 843 1 2 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.733 -0.608 18694 844 1 2 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.708 -0.419 18694 845 1 2 . 1 1 647 647 ASP H H 647 8.119 8.119 8.645 -0.526 18694 846 1 2 . 1 1 648 648 GLU N N 648 121.231 121.231 121.082 0.149 18694 847 1 2 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.114 -0.124 18694 848 1 2 . 1 1 648 648 GLU C C 648 177.064 177.064 178.530 -1.466 18694 849 1 2 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.299 -0.037 18694 850 1 2 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.336 0.802 18694 851 1 2 . 1 1 648 648 GLU H H 648 7.799 7.799 7.950 -0.151 18694 852 1 2 . 1 1 649 649 TYR N N 649 122.045 122.045 120.862 1.183 18694 853 1 2 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.183 -0.184 18694 854 1 2 . 1 1 649 649 TYR C C 649 176.140 176.140 177.628 -1.488 18694 855 1 2 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.478 0.191 18694 856 1 2 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.310 0.647 18694 857 1 2 . 1 1 649 649 TYR H H 649 7.338 7.338 8.156 -0.818 18694 858 1 2 . 1 1 650 650 TYR N N 650 115.581 115.581 119.007 -3.426 18694 859 1 2 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.865 0.134 18694 860 1 2 . 1 1 650 650 TYR C C 650 179.058 179.058 177.676 1.382 18694 861 1 2 . 1 1 650 650 TYR CA C 650 60.493 60.493 61.597 -1.104 18694 862 1 2 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.183 -0.541 18694 863 1 2 . 1 1 650 650 TYR H H 650 8.072 8.072 8.061 0.011 18694 864 1 2 . 1 1 651 651 HIS N N 651 118.435 118.435 119.415 -0.980 18694 865 1 2 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.060 0.253 18694 866 1 2 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.339 -1.036 18694 867 1 2 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.054 -1.798 18694 868 1 2 . 1 1 651 651 HIS H H 651 8.311 8.311 8.166 0.145 18694 869 1 2 . 1 1 652 652 LEU N N 652 121.135 121.135 119.948 1.187 18694 870 1 2 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.948 0.045 18694 871 1 2 . 1 1 652 652 LEU C C 652 180.822 180.822 178.925 1.897 18694 872 1 2 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.373 -0.480 18694 873 1 2 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.852 0.185 18694 874 1 2 . 1 1 652 652 LEU H H 652 9.141 9.141 8.564 0.577 18694 875 1 2 . 1 1 653 653 LEU N N 653 120.947 120.947 118.939 2.008 18694 876 1 2 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.825 0.008 18694 877 1 2 . 1 1 653 653 LEU C C 653 178.085 178.085 178.668 -0.583 18694 878 1 2 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.017 0.321 18694 879 1 2 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.239 0.647 18694 880 1 2 . 1 1 653 653 LEU H H 653 7.769 7.769 7.434 0.335 18694 881 1 2 . 1 1 654 654 ALA N N 654 120.863 120.863 121.239 -0.376 18694 882 1 2 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.682 0.202 18694 883 1 2 . 1 1 654 654 ALA C C 654 180.274 180.274 179.461 0.813 18694 884 1 2 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.171 0.185 18694 885 1 2 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.381 0.809 18694 886 1 2 . 1 1 654 654 ALA H H 654 8.111 8.111 8.200 -0.089 18694 887 1 2 . 1 1 655 655 GLU N N 655 118.047 118.047 118.440 -0.393 18694 888 1 2 . 1 1 655 655 GLU HA H 655 4.018 4.018 4.028 -0.010 18694 889 1 2 . 1 1 655 655 GLU C C 655 178.311 178.311 178.752 -0.441 18694 890 1 2 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.502 -0.423 18694 891 1 2 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.667 -0.253 18694 892 1 2 . 1 1 655 655 GLU H H 655 8.363 8.363 8.015 0.348 18694 893 1 2 . 1 1 656 656 LYS N N 656 120.122 120.122 119.849 0.273 18694 894 1 2 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.123 -0.073 18694 895 1 2 . 1 1 656 656 LYS C C 656 178.388 178.388 179.309 -0.921 18694 896 1 2 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.609 -0.480 18694 897 1 2 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.117 -0.707 18694 898 1 2 . 1 1 656 656 LYS H H 656 7.852 7.852 7.555 0.297 18694 899 1 2 . 1 1 657 657 ILE N N 657 118.294 118.294 119.671 -1.377 18694 900 1 2 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.689 -0.298 18694 901 1 2 . 1 1 657 657 ILE C C 657 177.061 177.061 177.853 -0.792 18694 902 1 2 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.547 0.979 18694 903 1 2 . 1 1 657 657 ILE CB C 657 37.900 37.900 38.053 -0.153 18694 904 1 2 . 1 1 657 657 ILE H H 657 8.199 8.199 8.535 -0.336 18694 905 1 2 . 1 1 658 658 TYR N N 658 119.430 119.430 120.405 -0.975 18694 906 1 2 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.054 0.249 18694 907 1 2 . 1 1 658 658 TYR C C 658 177.869 177.869 177.532 0.337 18694 908 1 2 . 1 1 658 658 TYR CA C 658 60.869 60.869 61.463 -0.594 18694 909 1 2 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.241 -0.036 18694 910 1 2 . 1 1 658 658 TYR H H 658 8.066 8.066 7.896 0.170 18694 911 1 2 . 1 1 659 659 LYS N N 659 118.321 118.321 118.963 -0.642 18694 912 1 2 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.928 -0.114 18694 913 1 2 . 1 1 659 659 LYS C C 659 180.019 180.019 179.039 0.980 18694 914 1 2 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.905 0.955 18694 915 1 2 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.873 0.818 18694 916 1 2 . 1 1 659 659 LYS H H 659 8.309 8.309 8.233 0.076 18694 917 1 2 . 1 1 660 660 ILE N N 660 121.103 121.103 120.301 0.802 18694 918 1 2 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.654 -0.068 18694 919 1 2 . 1 1 660 660 ILE C C 660 177.404 177.404 177.967 -0.563 18694 920 1 2 . 1 1 660 660 ILE CA C 660 66.076 66.076 64.967 1.109 18694 921 1 2 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.923 0.461 18694 922 1 2 . 1 1 660 660 ILE H H 660 8.546 8.546 7.845 0.701 18694 923 1 2 . 1 1 661 661 GLN N N 661 118.093 118.093 118.729 -0.636 18694 924 1 2 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.887 0.044 18694 925 1 2 . 1 1 661 661 GLN C C 661 179.682 179.682 178.250 1.432 18694 926 1 2 . 1 1 661 661 GLN CA C 661 59.868 59.868 58.990 0.878 18694 927 1 2 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.351 -0.290 18694 928 1 2 . 1 1 661 661 GLN H H 661 8.554 8.554 7.783 0.771 18694 929 1 2 . 1 1 662 662 LYS N N 662 119.532 119.532 120.570 -1.038 18694 930 1 2 . 1 1 662 662 LYS HA H 662 3.961 3.961 4.233 -0.272 18694 931 1 2 . 1 1 662 662 LYS C C 662 178.745 178.745 179.098 -0.353 18694 932 1 2 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.322 0.199 18694 933 1 2 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.808 -0.186 18694 934 1 2 . 1 1 662 662 LYS H H 662 8.110 8.110 7.853 0.257 18694 935 1 2 . 1 1 663 663 GLU N N 663 121.313 121.313 119.750 1.563 18694 936 1 2 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.022 -0.001 18694 937 1 2 . 1 1 663 663 GLU C C 663 179.429 179.429 179.068 0.361 18694 938 1 2 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.347 0.145 18694 939 1 2 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.293 -0.129 18694 940 1 2 . 1 1 663 663 GLU H H 663 8.011 8.011 7.829 0.182 18694 941 1 2 . 1 1 664 664 LEU N N 664 119.460 119.460 119.480 -0.020 18694 942 1 2 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.894 0.024 18694 943 1 2 . 1 1 664 664 LEU C C 664 178.785 178.785 179.185 -0.400 18694 944 1 2 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.056 0.118 18694 945 1 2 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.403 0.502 18694 946 1 2 . 1 1 664 664 LEU H H 664 8.342 8.342 8.044 0.298 18694 947 1 2 . 1 1 665 665 GLU N N 665 118.822 118.822 118.814 0.008 18694 948 1 2 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.893 0.080 18694 949 1 2 . 1 1 665 665 GLU C C 665 179.161 179.161 179.162 -0.001 18694 950 1 2 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.419 -0.604 18694 951 1 2 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.279 -0.146 18694 952 1 2 . 1 1 665 665 GLU H H 665 8.018 8.018 7.842 0.176 18694 953 1 2 . 1 1 666 666 GLU N N 666 118.722 118.722 119.709 -0.987 18694 954 1 2 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.055 -0.083 18694 955 1 2 . 1 1 666 666 GLU C C 666 179.536 179.536 179.056 0.480 18694 956 1 2 . 1 1 666 666 GLU CA C 666 58.910 58.910 58.972 -0.062 18694 957 1 2 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.428 -0.547 18694 958 1 2 . 1 1 666 666 GLU H H 666 8.014 8.014 8.033 -0.019 18694 959 1 2 . 1 1 667 667 LYS N N 667 119.177 119.177 117.644 1.533 18694 960 1 2 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.083 0.058 18694 961 1 2 . 1 1 667 667 LYS C C 667 179.425 179.425 179.684 -0.259 18694 962 1 2 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.304 -0.921 18694 963 1 2 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.169 -0.164 18694 964 1 2 . 1 1 667 667 LYS H H 667 8.056 8.056 8.428 -0.372 18694 965 1 2 . 1 1 668 668 ARG N N 668 119.491 119.491 119.897 -0.406 18694 966 1 2 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.156 -0.197 18694 967 1 2 . 1 1 668 668 ARG C C 668 178.260 178.260 178.591 -0.331 18694 968 1 2 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.232 0.732 18694 969 1 2 . 1 1 668 668 ARG CB C 668 30.211 30.211 30.141 0.070 18694 970 1 2 . 1 1 668 668 ARG H H 668 8.218 8.218 7.904 0.314 18694 971 1 2 . 1 1 669 669 ARG N N 669 117.972 117.972 119.385 -1.413 18694 972 1 2 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.137 0.033 18694 973 1 2 . 1 1 669 669 ARG C C 669 177.325 177.325 177.217 0.108 18694 974 1 2 . 1 1 669 669 ARG CA C 669 57.551 57.551 57.890 -0.339 18694 975 1 2 . 1 1 669 669 ARG CB C 669 30.109 30.109 29.627 0.482 18694 976 1 2 . 1 1 669 669 ARG H H 669 7.793 7.793 7.676 0.117 18694 977 1 2 . 1 1 670 670 SER N N 670 114.336 114.336 114.125 0.211 18694 978 1 2 . 1 1 670 670 SER HA H 670 4.410 4.410 4.401 0.009 18694 979 1 2 . 1 1 670 670 SER C C 670 174.266 174.266 174.639 -0.373 18694 980 1 2 . 1 1 670 670 SER CA C 670 58.946 58.946 58.350 0.596 18694 981 1 2 . 1 1 670 670 SER CB C 670 63.814 63.814 63.290 0.524 18694 982 1 2 . 1 1 670 670 SER H H 670 7.794 7.794 7.511 0.283 18694 983 1 2 . 1 1 671 671 ARG N N 671 122.062 122.062 120.269 1.793 18694 984 1 2 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.229 0.118 18694 985 1 2 . 1 1 671 671 ARG C C 671 175.272 175.272 174.955 0.317 18694 986 1 2 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.361 -0.240 18694 987 1 2 . 1 1 671 671 ARG CB C 671 30.507 30.507 30.812 -0.305 18694 988 1 2 . 1 1 671 671 ARG H H 671 7.740 7.740 7.514 0.226 18694 989 1 3 . 1 1 587 587 VAL N N 587 119.752 119.752 119.873 -0.121 18694 990 1 3 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.562 -0.464 18694 991 1 3 . 1 1 587 587 VAL C C 587 176.340 176.340 175.592 0.748 18694 992 1 3 . 1 1 587 587 VAL CA C 587 62.229 62.229 60.715 1.514 18694 993 1 3 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.946 -1.164 18694 994 1 3 . 1 1 587 587 VAL H H 587 8.027 8.027 7.829 0.198 18694 995 1 3 . 1 1 588 588 ARG N N 588 125.669 125.669 121.203 4.466 18694 996 1 3 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.351 -0.029 18694 997 1 3 . 1 1 588 588 ARG C C 588 176.109 176.109 176.180 -0.071 18694 998 1 3 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.027 0.140 18694 999 1 3 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.834 -0.183 18694 1000 1 3 . 1 1 588 588 ARG H H 588 8.528 8.528 8.387 0.141 18694 1001 1 3 . 1 1 589 589 LYS N N 589 121.018 121.018 121.784 -0.766 18694 1002 1 3 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.000 0.186 18694 1003 1 3 . 1 1 589 589 LYS C C 589 177.598 177.598 174.859 2.739 18694 1004 1 3 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.725 -0.802 18694 1005 1 3 . 1 1 589 589 LYS CB C 589 32.589 32.589 31.588 1.000 18694 1006 1 3 . 1 1 589 589 LYS H H 589 8.116 8.116 7.692 0.424 18694 1007 1 3 . 1 1 590 590 GLY N N 590 112.531 112.531 111.841 0.690 18694 1008 1 3 . 1 1 590 590 GLY C C 590 176.465 176.465 173.783 2.682 18694 1009 1 3 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.956 2.240 18694 1010 1 3 . 1 1 590 590 GLY H H 590 8.669 8.669 7.849 0.820 18694 1011 1 3 . 1 1 591 591 TRP N N 591 119.435 119.435 119.841 -0.406 18694 1012 1 3 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.401 0.104 18694 1013 1 3 . 1 1 591 591 TRP C C 591 178.177 178.177 176.156 2.021 18694 1014 1 3 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.956 0.172 18694 1015 1 3 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.279 -1.525 18694 1016 1 3 . 1 1 591 591 TRP H H 591 8.026 8.026 7.140 0.886 18694 1017 1 3 . 1 1 592 592 HIS N N 592 119.340 119.340 116.218 3.122 18694 1018 1 3 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.947 -1.446 18694 1019 1 3 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.884 -0.606 18694 1020 1 3 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.404 -1.920 18694 1021 1 3 . 1 1 592 592 HIS H H 592 7.165 7.165 8.751 -1.586 18694 1022 1 3 . 1 1 593 593 GLU N N 593 116.536 116.536 119.424 -2.888 18694 1023 1 3 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.140 -0.160 18694 1024 1 3 . 1 1 593 593 GLU C C 593 176.675 176.675 176.770 -0.095 18694 1025 1 3 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.626 -0.518 18694 1026 1 3 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.062 0.118 18694 1027 1 3 . 1 1 593 593 GLU H H 593 7.726 7.726 8.591 -0.865 18694 1028 1 3 . 1 1 594 594 HIS N N 594 112.885 112.885 113.389 -0.504 18694 1029 1 3 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.662 0.288 18694 1030 1 3 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.066 -0.803 18694 1031 1 3 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.722 0.460 18694 1032 1 3 . 1 1 594 594 HIS H H 594 7.530 7.530 8.590 -1.060 18694 1033 1 3 . 1 1 595 595 VAL N N 595 120.678 120.678 118.390 2.288 18694 1034 1 3 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.471 0.029 18694 1035 1 3 . 1 1 595 595 VAL C C 595 174.593 174.593 174.920 -0.327 18694 1036 1 3 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.188 0.855 18694 1037 1 3 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.616 -2.254 18694 1038 1 3 . 1 1 595 595 VAL H H 595 7.492 7.492 7.421 0.071 18694 1039 1 3 . 1 1 596 596 THR N N 596 115.525 115.525 118.672 -3.147 18694 1040 1 3 . 1 1 596 596 THR HA H 596 4.494 4.494 4.572 -0.078 18694 1041 1 3 . 1 1 596 596 THR C C 596 175.419 175.419 175.766 -0.347 18694 1042 1 3 . 1 1 596 596 THR CA C 596 60.001 60.001 61.015 -1.014 18694 1043 1 3 . 1 1 596 596 THR CB C 596 71.072 71.072 70.587 0.485 18694 1044 1 3 . 1 1 596 596 THR H H 596 7.583 7.583 8.507 -0.924 18694 1045 1 3 . 1 1 597 597 GLN N N 597 120.346 120.346 125.773 -5.427 18694 1046 1 3 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.106 -0.288 18694 1047 1 3 . 1 1 597 597 GLN C C 597 178.079 178.079 177.658 0.421 18694 1048 1 3 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.453 -0.699 18694 1049 1 3 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.655 -0.643 18694 1050 1 3 . 1 1 597 597 GLN H H 597 8.929 8.929 8.875 0.054 18694 1051 1 3 . 1 1 598 598 ASP N N 598 117.842 117.842 120.326 -2.484 18694 1052 1 3 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.420 -0.080 18694 1053 1 3 . 1 1 598 598 ASP C C 598 178.494 178.494 178.745 -0.251 18694 1054 1 3 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.553 -0.660 18694 1055 1 3 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.605 -0.070 18694 1056 1 3 . 1 1 598 598 ASP H H 598 8.382 8.382 7.883 0.499 18694 1057 1 3 . 1 1 599 599 LEU N N 599 123.174 123.174 119.825 3.349 18694 1058 1 3 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.089 0.154 18694 1059 1 3 . 1 1 599 599 LEU C C 599 179.129 179.129 178.336 0.793 18694 1060 1 3 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.151 0.292 18694 1061 1 3 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.871 -0.237 18694 1062 1 3 . 1 1 599 599 LEU H H 599 7.671 7.671 8.162 -0.491 18694 1063 1 3 . 1 1 600 600 ARG N N 600 118.132 118.132 117.846 0.286 18694 1064 1 3 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.222 0.100 18694 1065 1 3 . 1 1 600 600 ARG C C 600 179.103 179.103 179.175 -0.072 18694 1066 1 3 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.841 0.555 18694 1067 1 3 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.181 0.339 18694 1068 1 3 . 1 1 600 600 ARG H H 600 7.768 7.768 7.651 0.117 18694 1069 1 3 . 1 1 601 601 SER N N 601 112.865 112.865 114.767 -1.902 18694 1070 1 3 . 1 1 601 601 SER HA H 601 4.134 4.134 4.239 -0.105 18694 1071 1 3 . 1 1 601 601 SER C C 601 177.665 177.665 176.721 0.944 18694 1072 1 3 . 1 1 601 601 SER CA C 601 61.534 61.534 62.058 -0.524 18694 1073 1 3 . 1 1 601 601 SER CB C 601 62.758 62.758 63.026 -0.268 18694 1074 1 3 . 1 1 601 601 SER H H 601 8.501 8.501 8.349 0.152 18694 1075 1 3 . 1 1 602 602 HIS N N 602 121.543 121.543 123.950 -2.407 18694 1076 1 3 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.376 0.117 18694 1077 1 3 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.834 -0.925 18694 1078 1 3 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.080 -1.991 18694 1079 1 3 . 1 1 602 602 HIS H H 602 8.098 8.098 8.333 -0.235 18694 1080 1 3 . 1 1 603 603 LEU N N 603 122.394 122.394 119.260 3.134 18694 1081 1 3 . 1 1 603 603 LEU HA H 603 4.028 4.028 4.023 0.005 18694 1082 1 3 . 1 1 603 603 LEU C C 603 179.275 179.275 178.844 0.431 18694 1083 1 3 . 1 1 603 603 LEU CA C 603 58.097 58.097 58.088 0.009 18694 1084 1 3 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.826 -1.604 18694 1085 1 3 . 1 1 603 603 LEU H H 603 8.293 8.293 8.226 0.067 18694 1086 1 3 . 1 1 604 604 VAL N N 604 120.325 120.325 119.914 0.411 18694 1087 1 3 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.502 -0.074 18694 1088 1 3 . 1 1 604 604 VAL C C 604 178.026 178.026 178.157 -0.131 18694 1089 1 3 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.996 0.896 18694 1090 1 3 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.548 0.055 18694 1091 1 3 . 1 1 604 604 VAL H H 604 8.409 8.409 7.703 0.706 18694 1092 1 3 . 1 1 605 605 HIS N N 605 116.275 116.275 118.324 -2.049 18694 1093 1 3 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.247 0.005 18694 1094 1 3 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.739 -1.649 18694 1095 1 3 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.242 -1.362 18694 1096 1 3 . 1 1 605 605 HIS H H 605 7.908 7.908 7.931 -0.023 18694 1097 1 3 . 1 1 606 606 LYS N N 606 119.506 119.506 120.751 -1.245 18694 1098 1 3 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.007 0.266 18694 1099 1 3 . 1 1 606 606 LYS C C 606 178.947 178.947 178.944 0.003 18694 1100 1 3 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.896 -1.092 18694 1101 1 3 . 1 1 606 606 LYS H H 606 8.092 8.092 7.716 0.376 18694 1102 1 3 . 1 1 607 607 LEU N N 607 121.321 121.321 121.186 0.135 18694 1103 1 3 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.032 -0.074 18694 1104 1 3 . 1 1 607 607 LEU C C 607 177.899 177.899 178.509 -0.610 18694 1105 1 3 . 1 1 607 607 LEU CA C 607 58.826 58.826 58.102 0.724 18694 1106 1 3 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.065 0.459 18694 1107 1 3 . 1 1 607 607 LEU H H 607 7.994 7.994 7.798 0.196 18694 1108 1 3 . 1 1 608 608 VAL N N 608 118.191 118.191 119.301 -1.110 18694 1109 1 3 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.542 -0.195 18694 1110 1 3 . 1 1 608 608 VAL C C 608 177.033 177.033 177.979 -0.946 18694 1111 1 3 . 1 1 608 608 VAL CA C 608 67.943 67.943 67.195 0.748 18694 1112 1 3 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.520 0.132 18694 1113 1 3 . 1 1 608 608 VAL H H 608 8.036 8.036 7.906 0.130 18694 1114 1 3 . 1 1 609 609 GLN N N 609 116.772 116.772 119.931 -3.159 18694 1115 1 3 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.212 -0.324 18694 1116 1 3 . 1 1 609 609 GLN C C 609 176.992 176.992 178.146 -1.154 18694 1117 1 3 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.702 -0.594 18694 1118 1 3 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.863 0.290 18694 1119 1 3 . 1 1 609 609 GLN H H 609 8.108 8.108 8.456 -0.348 18694 1120 1 3 . 1 1 610 610 ALA N N 610 119.316 119.316 121.350 -2.034 18694 1121 1 3 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.159 -0.126 18694 1122 1 3 . 1 1 610 610 ALA C C 610 178.498 178.498 179.269 -0.771 18694 1123 1 3 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.714 -0.936 18694 1124 1 3 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.549 0.843 18694 1125 1 3 . 1 1 610 610 ALA H H 610 7.756 7.756 7.877 -0.121 18694 1126 1 3 . 1 1 611 611 ILE N N 611 115.839 115.839 116.266 -0.427 18694 1127 1 3 . 1 1 611 611 ILE HA H 611 3.675 3.675 3.954 -0.279 18694 1128 1 3 . 1 1 611 611 ILE C C 611 174.299 174.299 175.319 -1.020 18694 1129 1 3 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.580 0.145 18694 1130 1 3 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.006 0.300 18694 1131 1 3 . 1 1 611 611 ILE H H 611 7.498 7.498 7.321 0.177 18694 1132 1 3 . 1 1 612 612 PHE N N 612 116.531 116.531 118.442 -1.911 18694 1133 1 3 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.916 0.180 18694 1134 1 3 . 1 1 612 612 PHE C C 612 171.610 171.610 173.568 -1.958 18694 1135 1 3 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.314 -2.598 18694 1136 1 3 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.754 -2.072 18694 1137 1 3 . 1 1 612 612 PHE H H 612 8.235 8.235 7.796 0.439 18694 1138 1 3 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.598 -0.025 18694 1139 1 3 . 1 1 613 613 PRO C C 613 178.269 178.269 176.446 1.823 18694 1140 1 3 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.660 1.118 18694 1141 1 3 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.692 0.752 18694 1142 1 3 . 1 1 614 614 THR N N 614 109.561 109.561 113.474 -3.913 18694 1143 1 3 . 1 1 614 614 THR HA H 614 4.470 4.470 4.451 0.019 18694 1144 1 3 . 1 1 614 614 THR C C 614 172.048 172.048 172.506 -0.458 18694 1145 1 3 . 1 1 614 614 THR CA C 614 58.106 58.106 58.692 -0.586 18694 1146 1 3 . 1 1 614 614 THR CB C 614 69.549 69.549 68.519 1.030 18694 1147 1 3 . 1 1 614 614 THR H H 614 8.025 8.025 7.385 0.640 18694 1148 1 3 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.654 -0.664 18694 1149 1 3 . 1 1 615 615 PRO C C 615 176.462 176.462 176.138 0.324 18694 1150 1 3 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.147 0.545 18694 1151 1 3 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.116 0.186 18694 1152 1 3 . 1 1 616 616 ASP N N 616 122.743 122.743 124.017 -1.274 18694 1153 1 3 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.777 -0.024 18694 1154 1 3 . 1 1 616 616 ASP C C 616 174.226 174.226 176.349 -2.123 18694 1155 1 3 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.352 0.506 18694 1156 1 3 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.289 -2.359 18694 1157 1 3 . 1 1 616 616 ASP H H 616 8.145 8.145 7.871 0.274 18694 1158 1 3 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.253 -0.143 18694 1159 1 3 . 1 1 617 617 PRO C C 617 178.885 178.885 177.088 1.797 18694 1160 1 3 . 1 1 617 617 PRO CA C 617 66.015 66.015 65.128 0.887 18694 1161 1 3 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.969 -0.035 18694 1162 1 3 . 1 1 618 618 ALA N N 618 118.548 118.548 120.281 -1.733 18694 1163 1 3 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.294 -0.211 18694 1164 1 3 . 1 1 618 618 ALA C C 618 180.518 180.518 179.979 0.539 18694 1165 1 3 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.137 0.585 18694 1166 1 3 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.370 -0.179 18694 1167 1 3 . 1 1 618 618 ALA H H 618 8.093 8.093 7.860 0.233 18694 1168 1 3 . 1 1 619 619 ALA N N 619 122.623 122.623 122.745 -0.122 18694 1169 1 3 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.112 0.213 18694 1170 1 3 . 1 1 619 619 ALA C C 619 179.318 179.318 179.959 -0.641 18694 1171 1 3 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.747 -0.062 18694 1172 1 3 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.388 0.267 18694 1173 1 3 . 1 1 619 619 ALA H H 619 8.039 8.039 8.812 -0.773 18694 1174 1 3 . 1 1 620 620 LEU N N 620 114.041 114.041 116.706 -2.665 18694 1175 1 3 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.253 -0.206 18694 1176 1 3 . 1 1 620 620 LEU C C 620 178.288 178.288 177.756 0.532 18694 1177 1 3 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.001 0.138 18694 1178 1 3 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.621 0.526 18694 1179 1 3 . 1 1 620 620 LEU H H 620 7.606 7.606 8.169 -0.563 18694 1180 1 3 . 1 1 621 621 LYS N N 621 115.255 115.255 116.505 -1.250 18694 1181 1 3 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.378 -0.041 18694 1182 1 3 . 1 1 621 621 LYS C C 621 175.867 175.867 175.633 0.234 18694 1183 1 3 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.487 -0.034 18694 1184 1 3 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.766 0.115 18694 1185 1 3 . 1 1 621 621 LYS H H 621 7.272 7.272 7.564 -0.292 18694 1186 1 3 . 1 1 622 622 ASP N N 622 123.382 123.382 120.875 2.507 18694 1187 1 3 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.677 -0.184 18694 1188 1 3 . 1 1 622 622 ASP C C 622 178.117 178.117 177.081 1.036 18694 1189 1 3 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.917 0.967 18694 1190 1 3 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.870 1.117 18694 1191 1 3 . 1 1 622 622 ASP H H 622 7.454 7.454 7.590 -0.136 18694 1192 1 3 . 1 1 623 623 ARG N N 623 130.356 130.356 126.134 4.222 18694 1193 1 3 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.106 -0.019 18694 1194 1 3 . 1 1 623 623 ARG C C 623 178.321 178.321 178.313 0.008 18694 1195 1 3 . 1 1 623 623 ARG CA C 623 58.789 58.789 59.813 -1.024 18694 1196 1 3 . 1 1 623 623 ARG CB C 623 29.511 29.511 30.292 -0.781 18694 1197 1 3 . 1 1 623 623 ARG H H 623 9.107 9.107 8.787 0.320 18694 1198 1 3 . 1 1 624 624 ARG N N 624 119.125 119.125 119.459 -0.334 18694 1199 1 3 . 1 1 624 624 ARG HA H 624 3.834 3.834 3.953 -0.119 18694 1200 1 3 . 1 1 624 624 ARG C C 624 178.521 178.521 178.254 0.267 18694 1201 1 3 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.136 -0.457 18694 1202 1 3 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.788 -1.689 18694 1203 1 3 . 1 1 624 624 ARG H H 624 9.582 9.582 7.879 1.703 18694 1204 1 3 . 1 1 625 625 MET N N 625 120.202 120.202 118.890 1.312 18694 1205 1 3 . 1 1 625 625 MET HA H 625 4.527 4.527 4.033 0.494 18694 1206 1 3 . 1 1 625 625 MET C C 625 178.749 178.749 177.977 0.772 18694 1207 1 3 . 1 1 625 625 MET CA C 625 56.796 56.796 58.763 -1.967 18694 1208 1 3 . 1 1 625 625 MET CB C 625 30.890 30.890 32.336 -1.446 18694 1209 1 3 . 1 1 625 625 MET H H 625 7.953 7.953 7.658 0.295 18694 1210 1 3 . 1 1 626 626 GLU N N 626 117.897 117.897 119.357 -1.460 18694 1211 1 3 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.894 0.166 18694 1212 1 3 . 1 1 626 626 GLU C C 626 179.640 179.640 179.059 0.581 18694 1213 1 3 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.669 -0.689 18694 1214 1 3 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.089 -0.557 18694 1215 1 3 . 1 1 626 626 GLU H H 626 7.431 7.431 7.779 -0.348 18694 1216 1 3 . 1 1 627 627 ASN N N 627 117.950 117.950 118.542 -0.592 18694 1217 1 3 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.435 0.054 18694 1218 1 3 . 1 1 627 627 ASN C C 627 177.540 177.540 178.037 -0.497 18694 1219 1 3 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.025 -0.227 18694 1220 1 3 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.681 -1.177 18694 1221 1 3 . 1 1 627 627 ASN H H 627 7.442 7.442 8.420 -0.978 18694 1222 1 3 . 1 1 628 628 LEU N N 628 124.396 124.396 119.715 4.681 18694 1223 1 3 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.213 -0.024 18694 1224 1 3 . 1 1 628 628 LEU C C 628 177.838 177.838 178.429 -0.591 18694 1225 1 3 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.175 1.167 18694 1226 1 3 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.479 0.222 18694 1227 1 3 . 1 1 628 628 LEU H H 628 7.873 7.873 7.592 0.281 18694 1228 1 3 . 1 1 629 629 VAL N N 629 120.503 120.503 120.383 0.120 18694 1229 1 3 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.561 -0.078 18694 1230 1 3 . 1 1 629 629 VAL C C 629 177.552 177.552 177.964 -0.412 18694 1231 1 3 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.870 0.355 18694 1232 1 3 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.086 0.601 18694 1233 1 3 . 1 1 629 629 VAL H H 629 8.246 8.246 8.042 0.204 18694 1234 1 3 . 1 1 630 630 ALA N N 630 120.687 120.687 122.735 -2.048 18694 1235 1 3 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.993 0.039 18694 1236 1 3 . 1 1 630 630 ALA C C 630 180.849 180.849 179.366 1.483 18694 1237 1 3 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.150 0.264 18694 1238 1 3 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.081 0.011 18694 1239 1 3 . 1 1 630 630 ALA H H 630 8.159 8.159 8.217 -0.058 18694 1240 1 3 . 1 1 631 631 TYR N N 631 121.083 121.083 119.748 1.335 18694 1241 1 3 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.080 0.159 18694 1242 1 3 . 1 1 631 631 TYR C C 631 177.591 177.591 176.905 0.686 18694 1243 1 3 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.472 0.839 18694 1244 1 3 . 1 1 631 631 TYR CB C 631 38.219 38.219 37.975 0.244 18694 1245 1 3 . 1 1 631 631 TYR H H 631 8.102 8.102 7.808 0.294 18694 1246 1 3 . 1 1 632 632 ALA N N 632 122.444 122.444 121.284 1.160 18694 1247 1 3 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.838 -0.156 18694 1248 1 3 . 1 1 632 632 ALA C C 632 179.014 179.014 179.813 -0.799 18694 1249 1 3 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.246 0.096 18694 1250 1 3 . 1 1 632 632 ALA CB C 632 19.824 19.824 17.930 1.894 18694 1251 1 3 . 1 1 632 632 ALA H H 632 8.292 8.292 7.548 0.744 18694 1252 1 3 . 1 1 633 633 LYS N N 633 115.912 115.912 118.434 -2.522 18694 1253 1 3 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.996 0.014 18694 1254 1 3 . 1 1 633 633 LYS C C 633 180.004 180.004 179.100 0.904 18694 1255 1 3 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.083 0.621 18694 1256 1 3 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.997 0.670 18694 1257 1 3 . 1 1 633 633 LYS H H 633 8.548 8.548 7.575 0.973 18694 1258 1 3 . 1 1 634 634 LYS N N 634 123.870 123.870 120.262 3.608 18694 1259 1 3 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.976 0.036 18694 1260 1 3 . 1 1 634 634 LYS C C 634 178.603 178.603 178.913 -0.310 18694 1261 1 3 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.816 0.286 18694 1262 1 3 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.902 -0.113 18694 1263 1 3 . 1 1 634 634 LYS H H 634 7.943 7.943 7.695 0.248 18694 1264 1 3 . 1 1 635 635 VAL N N 635 119.215 119.215 119.447 -0.232 18694 1265 1 3 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.434 0.242 18694 1266 1 3 . 1 1 635 635 VAL C C 635 178.574 178.574 177.357 1.217 18694 1267 1 3 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.272 -1.172 18694 1268 1 3 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.403 0.208 18694 1269 1 3 . 1 1 635 635 VAL H H 635 8.165 8.165 8.214 -0.049 18694 1270 1 3 . 1 1 636 636 GLU N N 636 120.094 120.094 119.655 0.439 18694 1271 1 3 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.072 -0.210 18694 1272 1 3 . 1 1 636 636 GLU C C 636 178.666 178.666 179.036 -0.370 18694 1273 1 3 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.422 2.267 18694 1274 1 3 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.791 -0.072 18694 1275 1 3 . 1 1 636 636 GLU H H 636 8.331 8.331 7.973 0.358 18694 1276 1 3 . 1 1 637 637 GLY N N 637 106.839 106.839 107.576 -0.737 18694 1277 1 3 . 1 1 637 637 GLY C C 637 176.614 176.614 176.294 0.320 18694 1278 1 3 . 1 1 637 637 GLY CA C 637 47.337 47.337 47.150 0.187 18694 1279 1 3 . 1 1 637 637 GLY H H 637 8.145 8.145 8.284 -0.139 18694 1280 1 3 . 1 1 638 638 ASP N N 638 122.731 122.731 122.445 0.286 18694 1281 1 3 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.391 0.152 18694 1282 1 3 . 1 1 638 638 ASP C C 638 180.109 180.109 179.223 0.886 18694 1283 1 3 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.690 0.204 18694 1284 1 3 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.181 -1.093 18694 1285 1 3 . 1 1 638 638 ASP H H 638 8.338 8.338 8.266 0.072 18694 1286 1 3 . 1 1 639 639 MET N N 639 121.055 121.055 119.279 1.776 18694 1287 1 3 . 1 1 639 639 MET HA H 639 4.389 4.389 4.231 0.158 18694 1288 1 3 . 1 1 639 639 MET C C 639 177.737 177.737 178.417 -0.680 18694 1289 1 3 . 1 1 639 639 MET CA C 639 58.675 58.675 57.056 1.619 18694 1290 1 3 . 1 1 639 639 MET CB C 639 32.530 32.530 31.377 1.153 18694 1291 1 3 . 1 1 639 639 MET H H 639 8.193 8.193 8.531 -0.338 18694 1292 1 3 . 1 1 640 640 TYR N N 640 121.235 121.235 120.582 0.653 18694 1293 1 3 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.805 0.493 18694 1294 1 3 . 1 1 640 640 TYR C C 640 178.311 178.311 177.412 0.899 18694 1295 1 3 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.357 0.550 18694 1296 1 3 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.545 1.405 18694 1297 1 3 . 1 1 640 640 TYR H H 640 9.328 9.328 8.834 0.494 18694 1298 1 3 . 1 1 641 641 GLU N N 641 115.098 115.098 117.908 -2.810 18694 1299 1 3 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.875 0.491 18694 1300 1 3 . 1 1 641 641 GLU C C 641 178.006 178.006 178.835 -0.829 18694 1301 1 3 . 1 1 641 641 GLU CA C 641 57.446 57.446 59.339 -1.893 18694 1302 1 3 . 1 1 641 641 GLU CB C 641 29.702 29.702 28.924 0.778 18694 1303 1 3 . 1 1 641 641 GLU H H 641 8.079 8.079 7.983 0.096 18694 1304 1 3 . 1 1 642 642 SER N N 642 112.869 112.869 114.751 -1.882 18694 1305 1 3 . 1 1 642 642 SER HA H 642 4.394 4.394 4.219 0.175 18694 1306 1 3 . 1 1 642 642 SER C C 642 175.251 175.251 176.493 -1.242 18694 1307 1 3 . 1 1 642 642 SER CA C 642 60.175 60.175 60.309 -0.135 18694 1308 1 3 . 1 1 642 642 SER CB C 642 64.388 64.388 62.754 1.634 18694 1309 1 3 . 1 1 642 642 SER H H 642 7.968 7.968 7.705 0.263 18694 1310 1 3 . 1 1 643 643 ALA N N 643 123.763 123.763 122.681 1.082 18694 1311 1 3 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.091 0.136 18694 1312 1 3 . 1 1 643 643 ALA C C 643 177.897 177.897 176.529 1.368 18694 1313 1 3 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.785 -0.186 18694 1314 1 3 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.433 2.259 18694 1315 1 3 . 1 1 643 643 ALA H H 643 8.096 8.096 8.264 -0.168 18694 1316 1 3 . 1 1 644 644 ASN N N 644 117.176 117.176 116.347 0.829 18694 1317 1 3 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.535 0.575 18694 1318 1 3 . 1 1 644 644 ASN C C 644 173.978 173.978 174.118 -0.140 18694 1319 1 3 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.390 -0.036 18694 1320 1 3 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.012 1.207 18694 1321 1 3 . 1 1 644 644 ASN H H 644 9.102 9.102 8.097 1.005 18694 1322 1 3 . 1 1 645 645 SER N N 645 111.225 111.225 112.787 -1.562 18694 1323 1 3 . 1 1 645 645 SER HA H 645 3.632 3.632 4.837 -1.205 18694 1324 1 3 . 1 1 645 645 SER C C 645 171.965 171.965 174.121 -2.156 18694 1325 1 3 . 1 1 645 645 SER CA C 645 56.522 56.522 57.120 -0.598 18694 1326 1 3 . 1 1 645 645 SER CB C 645 64.968 64.968 66.650 -1.682 18694 1327 1 3 . 1 1 645 645 SER H H 645 6.865 6.865 7.401 -0.536 18694 1328 1 3 . 1 1 646 646 ARG N N 646 121.944 121.944 124.714 -2.770 18694 1329 1 3 . 1 1 646 646 ARG HA H 646 3.186 3.186 3.748 -0.562 18694 1330 1 3 . 1 1 646 646 ARG C C 646 177.709 177.709 177.929 -0.220 18694 1331 1 3 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.489 -0.459 18694 1332 1 3 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.658 0.595 18694 1333 1 3 . 1 1 646 646 ARG H H 646 8.685 8.685 8.804 -0.119 18694 1334 1 3 . 1 1 647 647 ASP N N 647 116.817 116.817 117.957 -1.140 18694 1335 1 3 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.568 -0.273 18694 1336 1 3 . 1 1 647 647 ASP C C 647 178.860 178.860 178.328 0.532 18694 1337 1 3 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.632 -0.507 18694 1338 1 3 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.312 -0.023 18694 1339 1 3 . 1 1 647 647 ASP H H 647 8.119 8.119 8.459 -0.340 18694 1340 1 3 . 1 1 648 648 GLU N N 648 121.231 121.231 120.770 0.461 18694 1341 1 3 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.034 -0.044 18694 1342 1 3 . 1 1 648 648 GLU C C 648 177.064 177.064 178.244 -1.180 18694 1343 1 3 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.708 -0.446 18694 1344 1 3 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.220 0.918 18694 1345 1 3 . 1 1 648 648 GLU H H 648 7.799 7.799 8.200 -0.401 18694 1346 1 3 . 1 1 649 649 TYR N N 649 122.045 122.045 120.970 1.075 18694 1347 1 3 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.104 -0.105 18694 1348 1 3 . 1 1 649 649 TYR C C 649 176.140 176.140 177.870 -1.730 18694 1349 1 3 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.939 0.730 18694 1350 1 3 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.046 0.911 18694 1351 1 3 . 1 1 649 649 TYR H H 649 7.338 7.338 8.258 -0.920 18694 1352 1 3 . 1 1 650 650 TYR N N 650 115.581 115.581 116.578 -0.997 18694 1353 1 3 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.022 -0.023 18694 1354 1 3 . 1 1 650 650 TYR C C 650 179.058 179.058 178.334 0.724 18694 1355 1 3 . 1 1 650 650 TYR CA C 650 60.493 60.493 60.883 -0.390 18694 1356 1 3 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.121 0.521 18694 1357 1 3 . 1 1 650 650 TYR H H 650 8.072 8.072 7.725 0.347 18694 1358 1 3 . 1 1 651 651 HIS N N 651 118.435 118.435 119.754 -1.319 18694 1359 1 3 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.239 0.074 18694 1360 1 3 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.293 -0.990 18694 1361 1 3 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.094 -1.838 18694 1362 1 3 . 1 1 651 651 HIS H H 651 8.311 8.311 7.924 0.387 18694 1363 1 3 . 1 1 652 652 LEU N N 652 121.135 121.135 119.719 1.416 18694 1364 1 3 . 1 1 652 652 LEU HA H 652 3.993 3.993 4.073 -0.080 18694 1365 1 3 . 1 1 652 652 LEU C C 652 180.822 180.822 179.242 1.580 18694 1366 1 3 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.387 -0.494 18694 1367 1 3 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.928 0.109 18694 1368 1 3 . 1 1 652 652 LEU H H 652 9.141 9.141 8.187 0.954 18694 1369 1 3 . 1 1 653 653 LEU N N 653 120.947 120.947 118.897 2.050 18694 1370 1 3 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.929 -0.096 18694 1371 1 3 . 1 1 653 653 LEU C C 653 178.085 178.085 178.864 -0.779 18694 1372 1 3 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.100 0.238 18694 1373 1 3 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.436 0.450 18694 1374 1 3 . 1 1 653 653 LEU H H 653 7.769 7.769 7.534 0.235 18694 1375 1 3 . 1 1 654 654 ALA N N 654 120.863 120.863 121.389 -0.526 18694 1376 1 3 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.859 0.025 18694 1377 1 3 . 1 1 654 654 ALA C C 654 180.274 180.274 179.392 0.882 18694 1378 1 3 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.306 0.050 18694 1379 1 3 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.754 0.436 18694 1380 1 3 . 1 1 654 654 ALA H H 654 8.111 8.111 8.328 -0.217 18694 1381 1 3 . 1 1 655 655 GLU N N 655 118.047 118.047 118.508 -0.461 18694 1382 1 3 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.991 0.027 18694 1383 1 3 . 1 1 655 655 GLU C C 655 178.311 178.311 179.068 -0.757 18694 1384 1 3 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.719 -0.640 18694 1385 1 3 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.613 -0.199 18694 1386 1 3 . 1 1 655 655 GLU H H 655 8.363 8.363 8.278 0.085 18694 1387 1 3 . 1 1 656 656 LYS N N 656 120.122 120.122 118.896 1.226 18694 1388 1 3 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.147 -0.097 18694 1389 1 3 . 1 1 656 656 LYS C C 656 178.388 178.388 179.339 -0.951 18694 1390 1 3 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.435 -0.306 18694 1391 1 3 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.002 -0.592 18694 1392 1 3 . 1 1 656 656 LYS H H 656 7.852 7.852 7.475 0.377 18694 1393 1 3 . 1 1 657 657 ILE N N 657 118.294 118.294 120.813 -2.519 18694 1394 1 3 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.697 -0.306 18694 1395 1 3 . 1 1 657 657 ILE C C 657 177.061 177.061 178.108 -1.047 18694 1396 1 3 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.909 0.618 18694 1397 1 3 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.986 -0.086 18694 1398 1 3 . 1 1 657 657 ILE H H 657 8.199 8.199 8.417 -0.218 18694 1399 1 3 . 1 1 658 658 TYR N N 658 119.430 119.430 120.618 -1.188 18694 1400 1 3 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.246 0.057 18694 1401 1 3 . 1 1 658 658 TYR C C 658 177.869 177.869 177.638 0.231 18694 1402 1 3 . 1 1 658 658 TYR CA C 658 60.869 60.869 59.689 1.180 18694 1403 1 3 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.118 0.087 18694 1404 1 3 . 1 1 658 658 TYR H H 658 8.066 8.066 8.190 -0.124 18694 1405 1 3 . 1 1 659 659 LYS N N 659 118.321 118.321 120.272 -1.951 18694 1406 1 3 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.907 -0.093 18694 1407 1 3 . 1 1 659 659 LYS C C 659 180.019 180.019 179.040 0.979 18694 1408 1 3 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.175 0.685 18694 1409 1 3 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.711 0.980 18694 1410 1 3 . 1 1 659 659 LYS H H 659 8.309 8.309 8.085 0.224 18694 1411 1 3 . 1 1 660 660 ILE N N 660 121.103 121.103 119.945 1.158 18694 1412 1 3 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.622 -0.036 18694 1413 1 3 . 1 1 660 660 ILE C C 660 177.404 177.404 177.942 -0.538 18694 1414 1 3 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.086 0.990 18694 1415 1 3 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.973 0.411 18694 1416 1 3 . 1 1 660 660 ILE H H 660 8.546 8.546 8.438 0.108 18694 1417 1 3 . 1 1 661 661 GLN N N 661 118.093 118.093 118.742 -0.649 18694 1418 1 3 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.908 0.023 18694 1419 1 3 . 1 1 661 661 GLN C C 661 179.682 179.682 178.148 1.534 18694 1420 1 3 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.122 0.746 18694 1421 1 3 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.464 -0.403 18694 1422 1 3 . 1 1 661 661 GLN H H 661 8.554 8.554 7.982 0.572 18694 1423 1 3 . 1 1 662 662 LYS N N 662 119.532 119.532 120.447 -0.915 18694 1424 1 3 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.835 0.126 18694 1425 1 3 . 1 1 662 662 LYS C C 662 178.745 178.745 178.848 -0.103 18694 1426 1 3 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.425 -0.904 18694 1427 1 3 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.170 -0.548 18694 1428 1 3 . 1 1 662 662 LYS H H 662 8.110 8.110 8.116 -0.006 18694 1429 1 3 . 1 1 663 663 GLU N N 663 121.313 121.313 119.468 1.845 18694 1430 1 3 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.039 -0.018 18694 1431 1 3 . 1 1 663 663 GLU C C 663 179.429 179.429 179.079 0.350 18694 1432 1 3 . 1 1 663 663 GLU CA C 663 59.493 59.493 58.958 0.535 18694 1433 1 3 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.267 -0.103 18694 1434 1 3 . 1 1 663 663 GLU H H 663 8.011 8.011 7.839 0.172 18694 1435 1 3 . 1 1 664 664 LEU N N 664 119.460 119.460 119.981 -0.521 18694 1436 1 3 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.891 0.027 18694 1437 1 3 . 1 1 664 664 LEU C C 664 178.785 178.785 179.175 -0.390 18694 1438 1 3 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.307 -0.133 18694 1439 1 3 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.496 0.409 18694 1440 1 3 . 1 1 664 664 LEU H H 664 8.342 8.342 8.474 -0.132 18694 1441 1 3 . 1 1 665 665 GLU N N 665 118.822 118.822 118.283 0.539 18694 1442 1 3 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.928 0.045 18694 1443 1 3 . 1 1 665 665 GLU C C 665 179.161 179.161 179.270 -0.109 18694 1444 1 3 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.311 -0.496 18694 1445 1 3 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.304 -0.171 18694 1446 1 3 . 1 1 665 665 GLU H H 665 8.018 8.018 7.829 0.189 18694 1447 1 3 . 1 1 666 666 GLU N N 666 118.722 118.722 119.324 -0.602 18694 1448 1 3 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.094 -0.122 18694 1449 1 3 . 1 1 666 666 GLU C C 666 179.536 179.536 179.334 0.202 18694 1450 1 3 . 1 1 666 666 GLU CA C 666 58.910 58.910 58.939 -0.029 18694 1451 1 3 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.508 -0.627 18694 1452 1 3 . 1 1 666 666 GLU H H 666 8.014 8.014 7.602 0.412 18694 1453 1 3 . 1 1 667 667 LYS N N 667 119.177 119.177 118.837 0.340 18694 1454 1 3 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.082 0.059 18694 1455 1 3 . 1 1 667 667 LYS C C 667 179.425 179.425 179.058 0.367 18694 1456 1 3 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.020 -1.637 18694 1457 1 3 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.117 -0.112 18694 1458 1 3 . 1 1 667 667 LYS H H 667 8.056 8.056 8.157 -0.101 18694 1459 1 3 . 1 1 668 668 ARG N N 668 119.491 119.491 118.454 1.037 18694 1460 1 3 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.198 -0.239 18694 1461 1 3 . 1 1 668 668 ARG C C 668 178.260 178.260 177.434 0.826 18694 1462 1 3 . 1 1 668 668 ARG CA C 668 58.964 58.964 57.451 1.513 18694 1463 1 3 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.596 0.615 18694 1464 1 3 . 1 1 668 668 ARG H H 668 8.218 8.218 8.154 0.064 18694 1465 1 3 . 1 1 669 669 ARG N N 669 117.972 117.972 118.480 -0.508 18694 1466 1 3 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.070 0.100 18694 1467 1 3 . 1 1 669 669 ARG C C 669 177.325 177.325 177.244 0.081 18694 1468 1 3 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.761 -1.210 18694 1469 1 3 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.243 -0.134 18694 1470 1 3 . 1 1 669 669 ARG H H 669 7.793 7.793 7.450 0.343 18694 1471 1 3 . 1 1 670 670 SER N N 670 114.336 114.336 110.596 3.740 18694 1472 1 3 . 1 1 670 670 SER HA H 670 4.410 4.410 4.480 -0.070 18694 1473 1 3 . 1 1 670 670 SER C C 670 174.266 174.266 173.726 0.540 18694 1474 1 3 . 1 1 670 670 SER CA C 670 58.946 58.946 58.564 0.382 18694 1475 1 3 . 1 1 670 670 SER CB C 670 63.814 63.814 64.927 -1.113 18694 1476 1 3 . 1 1 670 670 SER H H 670 7.794 7.794 7.780 0.014 18694 1477 1 3 . 1 1 671 671 ARG N N 671 122.062 122.062 120.359 1.703 18694 1478 1 3 . 1 1 671 671 ARG HA H 671 4.347 4.347 3.980 0.367 18694 1479 1 3 . 1 1 671 671 ARG C C 671 175.272 175.272 174.671 0.601 18694 1480 1 3 . 1 1 671 671 ARG CA C 671 56.121 56.121 57.302 -1.181 18694 1481 1 3 . 1 1 671 671 ARG CB C 671 30.507 30.507 27.645 2.862 18694 1482 1 3 . 1 1 671 671 ARG H H 671 7.740 7.740 7.727 0.013 18694 1483 1 4 . 1 1 587 587 VAL N N 587 119.752 119.752 120.923 -1.171 18694 1484 1 4 . 1 1 587 587 VAL HA H 587 4.098 4.098 3.923 0.175 18694 1485 1 4 . 1 1 587 587 VAL C C 587 176.340 176.340 175.593 0.747 18694 1486 1 4 . 1 1 587 587 VAL CA C 587 62.229 62.229 62.427 -0.198 18694 1487 1 4 . 1 1 587 587 VAL CB C 587 32.782 32.782 32.641 0.141 18694 1488 1 4 . 1 1 587 587 VAL H H 587 8.027 8.027 7.783 0.244 18694 1489 1 4 . 1 1 588 588 ARG N N 588 125.669 125.669 123.443 2.226 18694 1490 1 4 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.342 -0.020 18694 1491 1 4 . 1 1 588 588 ARG C C 588 176.109 176.109 175.899 0.210 18694 1492 1 4 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.071 0.096 18694 1493 1 4 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.653 -0.002 18694 1494 1 4 . 1 1 588 588 ARG H H 588 8.528 8.528 8.387 0.141 18694 1495 1 4 . 1 1 589 589 LYS N N 589 121.018 121.018 121.991 -0.973 18694 1496 1 4 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.061 0.125 18694 1497 1 4 . 1 1 589 589 LYS C C 589 177.598 177.598 175.013 2.585 18694 1498 1 4 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.860 -0.937 18694 1499 1 4 . 1 1 589 589 LYS CB C 589 32.589 32.589 31.943 0.646 18694 1500 1 4 . 1 1 589 589 LYS H H 589 8.116 8.116 7.733 0.383 18694 1501 1 4 . 1 1 590 590 GLY N N 590 112.531 112.531 114.615 -2.084 18694 1502 1 4 . 1 1 590 590 GLY C C 590 176.465 176.465 174.144 2.321 18694 1503 1 4 . 1 1 590 590 GLY CA C 590 47.196 47.196 45.079 2.117 18694 1504 1 4 . 1 1 590 590 GLY H H 590 8.669 8.669 7.979 0.690 18694 1505 1 4 . 1 1 591 591 TRP N N 591 119.435 119.435 122.663 -3.228 18694 1506 1 4 . 1 1 591 591 TRP HA H 591 4.505 4.505 3.954 0.551 18694 1507 1 4 . 1 1 591 591 TRP C C 591 178.177 178.177 177.075 1.102 18694 1508 1 4 . 1 1 591 591 TRP CA C 591 58.128 58.128 58.644 -0.516 18694 1509 1 4 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.787 -1.033 18694 1510 1 4 . 1 1 591 591 TRP H H 591 8.026 8.026 7.658 0.368 18694 1511 1 4 . 1 1 592 592 HIS N N 592 119.340 119.340 115.335 4.005 18694 1512 1 4 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.526 -1.025 18694 1513 1 4 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.963 -1.685 18694 1514 1 4 . 1 1 592 592 HIS CB C 592 28.484 28.484 29.642 -1.158 18694 1515 1 4 . 1 1 592 592 HIS H H 592 7.165 7.165 8.179 -1.014 18694 1516 1 4 . 1 1 593 593 GLU N N 593 116.536 116.536 117.387 -0.851 18694 1517 1 4 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.291 -0.311 18694 1518 1 4 . 1 1 593 593 GLU C C 593 176.675 176.675 177.448 -0.773 18694 1519 1 4 . 1 1 593 593 GLU CA C 593 58.108 58.108 57.280 0.828 18694 1520 1 4 . 1 1 593 593 GLU CB C 593 29.180 29.180 30.135 -0.955 18694 1521 1 4 . 1 1 593 593 GLU H H 593 7.726 7.726 7.647 0.079 18694 1522 1 4 . 1 1 594 594 HIS N N 594 112.885 112.885 113.294 -0.409 18694 1523 1 4 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.996 -0.046 18694 1524 1 4 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.067 -0.803 18694 1525 1 4 . 1 1 594 594 HIS CB C 594 29.182 29.182 31.134 -1.952 18694 1526 1 4 . 1 1 594 594 HIS H H 594 7.530 7.530 7.643 -0.113 18694 1527 1 4 . 1 1 595 595 VAL N N 595 120.678 120.678 121.005 -0.327 18694 1528 1 4 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.486 0.014 18694 1529 1 4 . 1 1 595 595 VAL C C 595 174.593 174.593 174.683 -0.090 18694 1530 1 4 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.411 0.632 18694 1531 1 4 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.439 -2.077 18694 1532 1 4 . 1 1 595 595 VAL H H 595 7.492 7.492 7.924 -0.432 18694 1533 1 4 . 1 1 596 596 THR N N 596 115.525 115.525 118.573 -3.048 18694 1534 1 4 . 1 1 596 596 THR HA H 596 4.494 4.494 4.653 -0.159 18694 1535 1 4 . 1 1 596 596 THR C C 596 175.419 175.419 175.695 -0.276 18694 1536 1 4 . 1 1 596 596 THR CA C 596 60.001 60.001 59.967 0.034 18694 1537 1 4 . 1 1 596 596 THR CB C 596 71.072 71.072 70.641 0.431 18694 1538 1 4 . 1 1 596 596 THR H H 596 7.583 7.583 8.184 -0.601 18694 1539 1 4 . 1 1 597 597 GLN N N 597 120.346 120.346 125.564 -5.218 18694 1540 1 4 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.033 -0.215 18694 1541 1 4 . 1 1 597 597 GLN C C 597 178.079 178.079 177.419 0.660 18694 1542 1 4 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.276 -0.522 18694 1543 1 4 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.575 -0.563 18694 1544 1 4 . 1 1 597 597 GLN H H 597 8.929 8.929 8.957 -0.028 18694 1545 1 4 . 1 1 598 598 ASP N N 598 117.842 117.842 119.594 -1.752 18694 1546 1 4 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.396 -0.056 18694 1547 1 4 . 1 1 598 598 ASP C C 598 178.494 178.494 178.297 0.197 18694 1548 1 4 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.004 -0.111 18694 1549 1 4 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.693 -0.159 18694 1550 1 4 . 1 1 598 598 ASP H H 598 8.382 8.382 7.718 0.664 18694 1551 1 4 . 1 1 599 599 LEU N N 599 123.174 123.174 120.649 2.525 18694 1552 1 4 . 1 1 599 599 LEU HA H 599 4.243 4.243 3.911 0.332 18694 1553 1 4 . 1 1 599 599 LEU C C 599 179.129 179.129 178.392 0.737 18694 1554 1 4 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.121 0.322 18694 1555 1 4 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.839 -0.205 18694 1556 1 4 . 1 1 599 599 LEU H H 599 7.671 7.671 7.420 0.251 18694 1557 1 4 . 1 1 600 600 ARG N N 600 118.132 118.132 118.003 0.129 18694 1558 1 4 . 1 1 600 600 ARG HA H 600 4.322 4.322 3.857 0.465 18694 1559 1 4 . 1 1 600 600 ARG C C 600 179.103 179.103 178.795 0.308 18694 1560 1 4 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.953 0.443 18694 1561 1 4 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.041 0.479 18694 1562 1 4 . 1 1 600 600 ARG H H 600 7.768 7.768 7.693 0.075 18694 1563 1 4 . 1 1 601 601 SER N N 601 112.865 112.865 114.402 -1.537 18694 1564 1 4 . 1 1 601 601 SER HA H 601 4.134 4.134 3.961 0.173 18694 1565 1 4 . 1 1 601 601 SER C C 601 177.665 177.665 176.165 1.500 18694 1566 1 4 . 1 1 601 601 SER CA C 601 61.534 61.534 61.765 -0.231 18694 1567 1 4 . 1 1 601 601 SER CB C 601 62.758 62.758 62.779 -0.021 18694 1568 1 4 . 1 1 601 601 SER H H 601 8.501 8.501 7.682 0.819 18694 1569 1 4 . 1 1 602 602 HIS N N 602 121.543 121.543 123.602 -2.059 18694 1570 1 4 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.346 0.147 18694 1571 1 4 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.179 -1.270 18694 1572 1 4 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.078 -1.988 18694 1573 1 4 . 1 1 602 602 HIS H H 602 8.098 8.098 8.343 -0.245 18694 1574 1 4 . 1 1 603 603 LEU N N 603 122.394 122.394 119.036 3.358 18694 1575 1 4 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.931 0.097 18694 1576 1 4 . 1 1 603 603 LEU C C 603 179.275 179.275 178.896 0.379 18694 1577 1 4 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.965 0.133 18694 1578 1 4 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.534 -1.312 18694 1579 1 4 . 1 1 603 603 LEU H H 603 8.293 8.293 8.275 0.018 18694 1580 1 4 . 1 1 604 604 VAL N N 604 120.325 120.325 120.170 0.155 18694 1581 1 4 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.463 -0.035 18694 1582 1 4 . 1 1 604 604 VAL C C 604 178.026 178.026 177.999 0.027 18694 1583 1 4 . 1 1 604 604 VAL CA C 604 67.892 67.892 67.405 0.487 18694 1584 1 4 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.240 0.363 18694 1585 1 4 . 1 1 604 604 VAL H H 604 8.409 8.409 8.005 0.404 18694 1586 1 4 . 1 1 605 605 HIS N N 605 116.275 116.275 117.981 -1.706 18694 1587 1 4 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.138 0.114 18694 1588 1 4 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.565 -0.474 18694 1589 1 4 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.398 -1.518 18694 1590 1 4 . 1 1 605 605 HIS H H 605 7.908 7.908 7.835 0.073 18694 1591 1 4 . 1 1 606 606 LYS N N 606 119.506 119.506 120.814 -1.308 18694 1592 1 4 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.001 0.272 18694 1593 1 4 . 1 1 606 606 LYS C C 606 178.947 178.947 178.787 0.160 18694 1594 1 4 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.502 -0.698 18694 1595 1 4 . 1 1 606 606 LYS H H 606 8.092 8.092 7.907 0.185 18694 1596 1 4 . 1 1 607 607 LEU N N 607 121.321 121.321 120.891 0.430 18694 1597 1 4 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.010 -0.052 18694 1598 1 4 . 1 1 607 607 LEU C C 607 177.899 177.899 178.431 -0.532 18694 1599 1 4 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.940 0.886 18694 1600 1 4 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.145 0.378 18694 1601 1 4 . 1 1 607 607 LEU H H 607 7.994 7.994 8.252 -0.258 18694 1602 1 4 . 1 1 608 608 VAL N N 608 118.191 118.191 119.360 -1.169 18694 1603 1 4 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.596 -0.249 18694 1604 1 4 . 1 1 608 608 VAL C C 608 177.033 177.033 178.200 -1.167 18694 1605 1 4 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.752 1.191 18694 1606 1 4 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.081 0.572 18694 1607 1 4 . 1 1 608 608 VAL H H 608 8.036 8.036 8.317 -0.281 18694 1608 1 4 . 1 1 609 609 GLN N N 609 116.772 116.772 119.857 -3.085 18694 1609 1 4 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.164 -0.276 18694 1610 1 4 . 1 1 609 609 GLN C C 609 176.992 176.992 177.673 -0.681 18694 1611 1 4 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.663 -0.555 18694 1612 1 4 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.704 0.449 18694 1613 1 4 . 1 1 609 609 GLN H H 609 8.108 8.108 8.408 -0.300 18694 1614 1 4 . 1 1 610 610 ALA N N 610 119.316 119.316 120.984 -1.668 18694 1615 1 4 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.194 -0.161 18694 1616 1 4 . 1 1 610 610 ALA C C 610 178.498 178.498 179.264 -0.766 18694 1617 1 4 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.475 -0.697 18694 1618 1 4 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.772 0.620 18694 1619 1 4 . 1 1 610 610 ALA H H 610 7.756 7.756 7.616 0.140 18694 1620 1 4 . 1 1 611 611 ILE N N 611 115.839 115.839 116.541 -0.702 18694 1621 1 4 . 1 1 611 611 ILE HA H 611 3.675 3.675 3.986 -0.311 18694 1622 1 4 . 1 1 611 611 ILE C C 611 174.299 174.299 176.776 -2.477 18694 1623 1 4 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.953 -0.228 18694 1624 1 4 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.972 0.334 18694 1625 1 4 . 1 1 611 611 ILE H H 611 7.498 7.498 7.707 -0.209 18694 1626 1 4 . 1 1 612 612 PHE N N 612 116.531 116.531 119.472 -2.941 18694 1627 1 4 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.995 0.101 18694 1628 1 4 . 1 1 612 612 PHE C C 612 171.610 171.610 173.391 -1.781 18694 1629 1 4 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.833 -3.117 18694 1630 1 4 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.027 -1.345 18694 1631 1 4 . 1 1 612 612 PHE H H 612 8.235 8.235 8.003 0.232 18694 1632 1 4 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.464 0.109 18694 1633 1 4 . 1 1 613 613 PRO C C 613 178.269 178.269 175.877 2.392 18694 1634 1 4 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.607 1.171 18694 1635 1 4 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.859 0.585 18694 1636 1 4 . 1 1 614 614 THR N N 614 109.561 109.561 111.935 -2.374 18694 1637 1 4 . 1 1 614 614 THR HA H 614 4.470 4.470 4.589 -0.119 18694 1638 1 4 . 1 1 614 614 THR C C 614 172.048 172.048 172.745 -0.697 18694 1639 1 4 . 1 1 614 614 THR CA C 614 58.106 58.106 58.221 -0.115 18694 1640 1 4 . 1 1 614 614 THR CB C 614 69.549 69.549 68.932 0.617 18694 1641 1 4 . 1 1 614 614 THR H H 614 8.025 8.025 6.860 1.165 18694 1642 1 4 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.456 -0.466 18694 1643 1 4 . 1 1 615 615 PRO C C 615 176.462 176.462 175.912 0.550 18694 1644 1 4 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.317 0.375 18694 1645 1 4 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.223 1.079 18694 1646 1 4 . 1 1 616 616 ASP N N 616 122.743 122.743 122.746 -0.003 18694 1647 1 4 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.651 0.102 18694 1648 1 4 . 1 1 616 616 ASP C C 616 174.226 174.226 176.889 -2.663 18694 1649 1 4 . 1 1 616 616 ASP CA C 616 51.858 51.858 52.192 -0.334 18694 1650 1 4 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.014 -3.084 18694 1651 1 4 . 1 1 616 616 ASP H H 616 8.145 8.145 7.924 0.221 18694 1652 1 4 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.232 -0.122 18694 1653 1 4 . 1 1 617 617 PRO C C 617 178.885 178.885 177.750 1.135 18694 1654 1 4 . 1 1 617 617 PRO CA C 617 66.015 66.015 65.230 0.785 18694 1655 1 4 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.031 -0.097 18694 1656 1 4 . 1 1 618 618 ALA N N 618 118.548 118.548 120.274 -1.726 18694 1657 1 4 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.162 -0.079 18694 1658 1 4 . 1 1 618 618 ALA C C 618 180.518 180.518 180.089 0.429 18694 1659 1 4 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.503 0.219 18694 1660 1 4 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.052 0.139 18694 1661 1 4 . 1 1 618 618 ALA H H 618 8.093 8.093 7.813 0.280 18694 1662 1 4 . 1 1 619 619 ALA N N 619 122.623 122.623 122.748 -0.125 18694 1663 1 4 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.124 0.201 18694 1664 1 4 . 1 1 619 619 ALA C C 619 179.318 179.318 179.865 -0.547 18694 1665 1 4 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.682 0.003 18694 1666 1 4 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.517 0.138 18694 1667 1 4 . 1 1 619 619 ALA H H 619 8.039 8.039 8.027 0.012 18694 1668 1 4 . 1 1 620 620 LEU N N 620 114.041 114.041 117.015 -2.974 18694 1669 1 4 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.200 -0.153 18694 1670 1 4 . 1 1 620 620 LEU C C 620 178.288 178.288 177.677 0.611 18694 1671 1 4 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.438 -0.299 18694 1672 1 4 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.463 0.684 18694 1673 1 4 . 1 1 620 620 LEU H H 620 7.606 7.606 8.474 -0.868 18694 1674 1 4 . 1 1 621 621 LYS N N 621 115.255 115.255 115.916 -0.661 18694 1675 1 4 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.358 -0.021 18694 1676 1 4 . 1 1 621 621 LYS C C 621 175.867 175.867 175.892 -0.025 18694 1677 1 4 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.561 -0.108 18694 1678 1 4 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.522 0.359 18694 1679 1 4 . 1 1 621 621 LYS H H 621 7.272 7.272 7.445 -0.173 18694 1680 1 4 . 1 1 622 622 ASP N N 622 123.382 123.382 120.758 2.624 18694 1681 1 4 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.661 -0.168 18694 1682 1 4 . 1 1 622 622 ASP C C 622 178.117 178.117 176.810 1.307 18694 1683 1 4 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.528 0.356 18694 1684 1 4 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.843 1.145 18694 1685 1 4 . 1 1 622 622 ASP H H 622 7.454 7.454 7.835 -0.381 18694 1686 1 4 . 1 1 623 623 ARG N N 623 130.356 130.356 124.786 5.570 18694 1687 1 4 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.042 0.045 18694 1688 1 4 . 1 1 623 623 ARG C C 623 178.321 178.321 178.386 -0.065 18694 1689 1 4 . 1 1 623 623 ARG CA C 623 58.789 58.789 57.814 0.975 18694 1690 1 4 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.810 -0.299 18694 1691 1 4 . 1 1 623 623 ARG H H 623 9.107 9.107 8.791 0.316 18694 1692 1 4 . 1 1 624 624 ARG N N 624 119.125 119.125 118.835 0.290 18694 1693 1 4 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.221 -0.387 18694 1694 1 4 . 1 1 624 624 ARG C C 624 178.521 178.521 178.517 0.004 18694 1695 1 4 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.146 -0.467 18694 1696 1 4 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.917 -1.818 18694 1697 1 4 . 1 1 624 624 ARG H H 624 9.582 9.582 8.474 1.108 18694 1698 1 4 . 1 1 625 625 MET N N 625 120.202 120.202 118.528 1.674 18694 1699 1 4 . 1 1 625 625 MET HA H 625 4.527 4.527 4.108 0.419 18694 1700 1 4 . 1 1 625 625 MET C C 625 178.749 178.749 177.451 1.298 18694 1701 1 4 . 1 1 625 625 MET CA C 625 56.796 56.796 59.162 -2.366 18694 1702 1 4 . 1 1 625 625 MET CB C 625 30.890 30.890 32.096 -1.206 18694 1703 1 4 . 1 1 625 625 MET H H 625 7.953 7.953 7.951 0.002 18694 1704 1 4 . 1 1 626 626 GLU N N 626 117.897 117.897 118.988 -1.091 18694 1705 1 4 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.967 0.093 18694 1706 1 4 . 1 1 626 626 GLU C C 626 179.640 179.640 178.984 0.656 18694 1707 1 4 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.868 -0.888 18694 1708 1 4 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.950 -0.418 18694 1709 1 4 . 1 1 626 626 GLU H H 626 7.431 7.431 7.714 -0.283 18694 1710 1 4 . 1 1 627 627 ASN N N 627 117.950 117.950 117.968 -0.018 18694 1711 1 4 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.439 0.050 18694 1712 1 4 . 1 1 627 627 ASN C C 627 177.540 177.540 178.059 -0.519 18694 1713 1 4 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.921 -0.123 18694 1714 1 4 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.383 -0.879 18694 1715 1 4 . 1 1 627 627 ASN H H 627 7.442 7.442 7.653 -0.211 18694 1716 1 4 . 1 1 628 628 LEU N N 628 124.396 124.396 120.044 4.352 18694 1717 1 4 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.276 -0.087 18694 1718 1 4 . 1 1 628 628 LEU C C 628 177.838 177.838 178.345 -0.507 18694 1719 1 4 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.346 0.996 18694 1720 1 4 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.413 0.288 18694 1721 1 4 . 1 1 628 628 LEU H H 628 7.873 7.873 7.494 0.379 18694 1722 1 4 . 1 1 629 629 VAL N N 629 120.503 120.503 120.551 -0.048 18694 1723 1 4 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.605 -0.122 18694 1724 1 4 . 1 1 629 629 VAL C C 629 177.552 177.552 178.260 -0.708 18694 1725 1 4 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.458 0.767 18694 1726 1 4 . 1 1 629 629 VAL CB C 629 31.687 31.687 30.586 1.101 18694 1727 1 4 . 1 1 629 629 VAL H H 629 8.246 8.246 8.477 -0.231 18694 1728 1 4 . 1 1 630 630 ALA N N 630 120.687 120.687 123.181 -2.494 18694 1729 1 4 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.008 0.024 18694 1730 1 4 . 1 1 630 630 ALA C C 630 180.849 180.849 179.249 1.600 18694 1731 1 4 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.267 0.147 18694 1732 1 4 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.385 -0.293 18694 1733 1 4 . 1 1 630 630 ALA H H 630 8.159 8.159 8.327 -0.168 18694 1734 1 4 . 1 1 631 631 TYR N N 631 121.083 121.083 120.542 0.541 18694 1735 1 4 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.061 0.178 18694 1736 1 4 . 1 1 631 631 TYR C C 631 177.591 177.591 177.306 0.285 18694 1737 1 4 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.614 0.697 18694 1738 1 4 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.288 -0.069 18694 1739 1 4 . 1 1 631 631 TYR H H 631 8.102 8.102 8.209 -0.107 18694 1740 1 4 . 1 1 632 632 ALA N N 632 122.444 122.444 121.616 0.828 18694 1741 1 4 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.730 -0.048 18694 1742 1 4 . 1 1 632 632 ALA C C 632 179.014 179.014 179.496 -0.482 18694 1743 1 4 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.225 0.117 18694 1744 1 4 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.019 1.805 18694 1745 1 4 . 1 1 632 632 ALA H H 632 8.292 8.292 8.445 -0.153 18694 1746 1 4 . 1 1 633 633 LYS N N 633 115.912 115.912 118.443 -2.531 18694 1747 1 4 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.016 -0.006 18694 1748 1 4 . 1 1 633 633 LYS C C 633 180.004 180.004 178.837 1.167 18694 1749 1 4 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.931 0.772 18694 1750 1 4 . 1 1 633 633 LYS CB C 633 32.667 32.667 32.136 0.531 18694 1751 1 4 . 1 1 633 633 LYS H H 633 8.548 8.548 8.104 0.444 18694 1752 1 4 . 1 1 634 634 LYS N N 634 123.870 123.870 120.096 3.774 18694 1753 1 4 . 1 1 634 634 LYS HA H 634 4.012 4.012 4.029 -0.017 18694 1754 1 4 . 1 1 634 634 LYS C C 634 178.603 178.603 178.668 -0.065 18694 1755 1 4 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.816 0.286 18694 1756 1 4 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.721 0.068 18694 1757 1 4 . 1 1 634 634 LYS H H 634 7.943 7.943 7.896 0.047 18694 1758 1 4 . 1 1 635 635 VAL N N 635 119.215 119.215 118.878 0.337 18694 1759 1 4 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.503 0.173 18694 1760 1 4 . 1 1 635 635 VAL C C 635 178.574 178.574 177.398 1.176 18694 1761 1 4 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.591 -0.491 18694 1762 1 4 . 1 1 635 635 VAL CB C 635 31.611 31.611 30.865 0.746 18694 1763 1 4 . 1 1 635 635 VAL H H 635 8.165 8.165 7.881 0.284 18694 1764 1 4 . 1 1 636 636 GLU N N 636 120.094 120.094 120.109 -0.015 18694 1765 1 4 . 1 1 636 636 GLU HA H 636 3.862 3.862 3.998 -0.136 18694 1766 1 4 . 1 1 636 636 GLU C C 636 178.666 178.666 179.322 -0.656 18694 1767 1 4 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.402 2.287 18694 1768 1 4 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.747 -0.028 18694 1769 1 4 . 1 1 636 636 GLU H H 636 8.331 8.331 8.246 0.085 18694 1770 1 4 . 1 1 637 637 GLY N N 637 106.839 106.839 108.302 -1.463 18694 1771 1 4 . 1 1 637 637 GLY C C 637 176.614 176.614 175.746 0.868 18694 1772 1 4 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.737 0.600 18694 1773 1 4 . 1 1 637 637 GLY H H 637 8.145 8.145 7.868 0.277 18694 1774 1 4 . 1 1 638 638 ASP N N 638 122.731 122.731 123.176 -0.445 18694 1775 1 4 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.401 0.142 18694 1776 1 4 . 1 1 638 638 ASP C C 638 180.109 180.109 178.617 1.492 18694 1777 1 4 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.964 -0.070 18694 1778 1 4 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.137 -1.049 18694 1779 1 4 . 1 1 638 638 ASP H H 638 8.338 8.338 8.047 0.291 18694 1780 1 4 . 1 1 639 639 MET N N 639 121.055 121.055 117.773 3.282 18694 1781 1 4 . 1 1 639 639 MET HA H 639 4.389 4.389 4.114 0.275 18694 1782 1 4 . 1 1 639 639 MET C C 639 177.737 177.737 177.961 -0.224 18694 1783 1 4 . 1 1 639 639 MET CA C 639 58.675 58.675 56.369 2.306 18694 1784 1 4 . 1 1 639 639 MET CB C 639 32.530 32.530 31.219 1.311 18694 1785 1 4 . 1 1 639 639 MET H H 639 8.193 8.193 8.376 -0.183 18694 1786 1 4 . 1 1 640 640 TYR N N 640 121.235 121.235 119.922 1.313 18694 1787 1 4 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.374 0.924 18694 1788 1 4 . 1 1 640 640 TYR C C 640 178.311 178.311 175.742 2.569 18694 1789 1 4 . 1 1 640 640 TYR CA C 640 61.907 61.907 60.784 1.123 18694 1790 1 4 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.612 1.338 18694 1791 1 4 . 1 1 640 640 TYR H H 640 9.328 9.328 7.796 1.532 18694 1792 1 4 . 1 1 641 641 GLU N N 641 115.098 115.098 116.443 -1.345 18694 1793 1 4 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.653 0.713 18694 1794 1 4 . 1 1 641 641 GLU C C 641 178.006 178.006 178.710 -0.704 18694 1795 1 4 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.718 -1.272 18694 1796 1 4 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.429 0.273 18694 1797 1 4 . 1 1 641 641 GLU H H 641 8.079 8.079 7.482 0.597 18694 1798 1 4 . 1 1 642 642 SER N N 642 112.869 112.869 116.337 -3.468 18694 1799 1 4 . 1 1 642 642 SER HA H 642 4.394 4.394 4.232 0.162 18694 1800 1 4 . 1 1 642 642 SER C C 642 175.251 175.251 176.580 -1.329 18694 1801 1 4 . 1 1 642 642 SER CA C 642 60.175 60.175 60.755 -0.580 18694 1802 1 4 . 1 1 642 642 SER CB C 642 64.388 64.388 62.936 1.452 18694 1803 1 4 . 1 1 642 642 SER H H 642 7.968 7.968 7.395 0.573 18694 1804 1 4 . 1 1 643 643 ALA N N 643 123.763 123.763 123.306 0.457 18694 1805 1 4 . 1 1 643 643 ALA HA H 643 4.227 4.227 3.864 0.363 18694 1806 1 4 . 1 1 643 643 ALA C C 643 177.897 177.897 176.506 1.391 18694 1807 1 4 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.706 -0.107 18694 1808 1 4 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.350 3.342 18694 1809 1 4 . 1 1 643 643 ALA H H 643 8.096 8.096 8.196 -0.100 18694 1810 1 4 . 1 1 644 644 ASN N N 644 117.176 117.176 115.073 2.103 18694 1811 1 4 . 1 1 644 644 ASN HA H 644 5.110 5.110 5.031 0.079 18694 1812 1 4 . 1 1 644 644 ASN C C 644 173.978 173.978 174.937 -0.959 18694 1813 1 4 . 1 1 644 644 ASN CA C 644 53.354 53.354 54.566 -1.212 18694 1814 1 4 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.373 0.846 18694 1815 1 4 . 1 1 644 644 ASN H H 644 9.102 9.102 8.337 0.765 18694 1816 1 4 . 1 1 645 645 SER N N 645 111.225 111.225 114.085 -2.860 18694 1817 1 4 . 1 1 645 645 SER HA H 645 3.632 3.632 4.891 -1.259 18694 1818 1 4 . 1 1 645 645 SER C C 645 171.965 171.965 174.312 -2.347 18694 1819 1 4 . 1 1 645 645 SER CA C 645 56.522 56.522 57.648 -1.126 18694 1820 1 4 . 1 1 645 645 SER CB C 645 64.968 64.968 66.261 -1.293 18694 1821 1 4 . 1 1 645 645 SER H H 645 6.865 6.865 7.494 -0.629 18694 1822 1 4 . 1 1 646 646 ARG N N 646 121.944 121.944 125.009 -3.065 18694 1823 1 4 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.187 -1.001 18694 1824 1 4 . 1 1 646 646 ARG C C 646 177.709 177.709 178.172 -0.463 18694 1825 1 4 . 1 1 646 646 ARG CA C 646 59.031 59.031 60.454 -1.423 18694 1826 1 4 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.928 0.325 18694 1827 1 4 . 1 1 646 646 ARG H H 646 8.685 8.685 9.015 -0.330 18694 1828 1 4 . 1 1 647 647 ASP N N 647 116.817 116.817 117.739 -0.922 18694 1829 1 4 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.522 -0.227 18694 1830 1 4 . 1 1 647 647 ASP C C 647 178.860 178.860 178.494 0.366 18694 1831 1 4 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.850 -0.725 18694 1832 1 4 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.291 -0.002 18694 1833 1 4 . 1 1 647 647 ASP H H 647 8.119 8.119 8.592 -0.473 18694 1834 1 4 . 1 1 648 648 GLU N N 648 121.231 121.231 120.492 0.739 18694 1835 1 4 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.120 -0.130 18694 1836 1 4 . 1 1 648 648 GLU C C 648 177.064 177.064 178.354 -1.290 18694 1837 1 4 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.543 -0.281 18694 1838 1 4 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.308 0.830 18694 1839 1 4 . 1 1 648 648 GLU H H 648 7.799 7.799 8.298 -0.499 18694 1840 1 4 . 1 1 649 649 TYR N N 649 122.045 122.045 120.980 1.065 18694 1841 1 4 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.114 -0.115 18694 1842 1 4 . 1 1 649 649 TYR C C 649 176.140 176.140 177.976 -1.836 18694 1843 1 4 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.865 0.804 18694 1844 1 4 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.143 0.814 18694 1845 1 4 . 1 1 649 649 TYR H H 649 7.338 7.338 8.281 -0.943 18694 1846 1 4 . 1 1 650 650 TYR N N 650 115.581 115.581 117.138 -1.557 18694 1847 1 4 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.103 -0.104 18694 1848 1 4 . 1 1 650 650 TYR C C 650 179.058 179.058 178.282 0.776 18694 1849 1 4 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.709 -2.216 18694 1850 1 4 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.026 -0.384 18694 1851 1 4 . 1 1 650 650 TYR H H 650 8.072 8.072 8.289 -0.217 18694 1852 1 4 . 1 1 651 651 HIS N N 651 118.435 118.435 120.031 -1.596 18694 1853 1 4 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.250 0.063 18694 1854 1 4 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.418 -1.115 18694 1855 1 4 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.327 -2.071 18694 1856 1 4 . 1 1 651 651 HIS H H 651 8.311 8.311 8.047 0.264 18694 1857 1 4 . 1 1 652 652 LEU N N 652 121.135 121.135 119.398 1.737 18694 1858 1 4 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.936 0.057 18694 1859 1 4 . 1 1 652 652 LEU C C 652 180.822 180.822 179.528 1.294 18694 1860 1 4 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.155 -0.262 18694 1861 1 4 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.987 0.050 18694 1862 1 4 . 1 1 652 652 LEU H H 652 9.141 9.141 8.208 0.933 18694 1863 1 4 . 1 1 653 653 LEU N N 653 120.947 120.947 118.972 1.975 18694 1864 1 4 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.901 -0.068 18694 1865 1 4 . 1 1 653 653 LEU C C 653 178.085 178.085 178.918 -0.833 18694 1866 1 4 . 1 1 653 653 LEU CA C 653 58.338 58.338 57.981 0.357 18694 1867 1 4 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.495 0.391 18694 1868 1 4 . 1 1 653 653 LEU H H 653 7.769 7.769 7.607 0.162 18694 1869 1 4 . 1 1 654 654 ALA N N 654 120.863 120.863 121.267 -0.404 18694 1870 1 4 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.918 -0.034 18694 1871 1 4 . 1 1 654 654 ALA C C 654 180.274 180.274 179.402 0.872 18694 1872 1 4 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.319 0.037 18694 1873 1 4 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.868 0.322 18694 1874 1 4 . 1 1 654 654 ALA H H 654 8.111 8.111 8.514 -0.403 18694 1875 1 4 . 1 1 655 655 GLU N N 655 118.047 118.047 118.997 -0.950 18694 1876 1 4 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.883 0.135 18694 1877 1 4 . 1 1 655 655 GLU C C 655 178.311 178.311 178.369 -0.058 18694 1878 1 4 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.668 -0.589 18694 1879 1 4 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.273 0.141 18694 1880 1 4 . 1 1 655 655 GLU H H 655 8.363 8.363 8.005 0.358 18694 1881 1 4 . 1 1 656 656 LYS N N 656 120.122 120.122 119.712 0.410 18694 1882 1 4 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.098 -0.048 18694 1883 1 4 . 1 1 656 656 LYS C C 656 178.388 178.388 179.240 -0.852 18694 1884 1 4 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.391 -1.262 18694 1885 1 4 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.370 -0.960 18694 1886 1 4 . 1 1 656 656 LYS H H 656 7.852 7.852 7.415 0.437 18694 1887 1 4 . 1 1 657 657 ILE N N 657 118.294 118.294 119.654 -1.360 18694 1888 1 4 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.723 -0.332 18694 1889 1 4 . 1 1 657 657 ILE C C 657 177.061 177.061 178.085 -1.024 18694 1890 1 4 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.376 1.150 18694 1891 1 4 . 1 1 657 657 ILE CB C 657 37.900 37.900 38.084 -0.184 18694 1892 1 4 . 1 1 657 657 ILE H H 657 8.199 8.199 7.995 0.204 18694 1893 1 4 . 1 1 658 658 TYR N N 658 119.430 119.430 120.458 -1.028 18694 1894 1 4 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.082 0.221 18694 1895 1 4 . 1 1 658 658 TYR C C 658 177.869 177.869 177.564 0.305 18694 1896 1 4 . 1 1 658 658 TYR CA C 658 60.869 60.869 61.032 -0.164 18694 1897 1 4 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.265 -0.060 18694 1898 1 4 . 1 1 658 658 TYR H H 658 8.066 8.066 8.383 -0.317 18694 1899 1 4 . 1 1 659 659 LYS N N 659 118.321 118.321 119.338 -1.017 18694 1900 1 4 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.862 -0.048 18694 1901 1 4 . 1 1 659 659 LYS C C 659 180.019 180.019 179.164 0.855 18694 1902 1 4 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.808 1.052 18694 1903 1 4 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.712 0.979 18694 1904 1 4 . 1 1 659 659 LYS H H 659 8.309 8.309 8.298 0.011 18694 1905 1 4 . 1 1 660 660 ILE N N 660 121.103 121.103 119.744 1.359 18694 1906 1 4 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.707 -0.121 18694 1907 1 4 . 1 1 660 660 ILE C C 660 177.404 177.404 177.456 -0.052 18694 1908 1 4 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.477 0.599 18694 1909 1 4 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.882 0.502 18694 1910 1 4 . 1 1 660 660 ILE H H 660 8.546 8.546 8.098 0.448 18694 1911 1 4 . 1 1 661 661 GLN N N 661 118.093 118.093 118.184 -0.091 18694 1912 1 4 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.894 0.037 18694 1913 1 4 . 1 1 661 661 GLN C C 661 179.682 179.682 178.206 1.476 18694 1914 1 4 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.074 0.794 18694 1915 1 4 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.274 -0.213 18694 1916 1 4 . 1 1 661 661 GLN H H 661 8.554 8.554 7.607 0.947 18694 1917 1 4 . 1 1 662 662 LYS N N 662 119.532 119.532 120.882 -1.350 18694 1918 1 4 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.900 0.061 18694 1919 1 4 . 1 1 662 662 LYS C C 662 178.745 178.745 178.848 -0.103 18694 1920 1 4 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.903 -0.382 18694 1921 1 4 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.852 -0.230 18694 1922 1 4 . 1 1 662 662 LYS H H 662 8.110 8.110 7.746 0.364 18694 1923 1 4 . 1 1 663 663 GLU N N 663 121.313 121.313 120.125 1.188 18694 1924 1 4 . 1 1 663 663 GLU HA H 663 4.021 4.021 3.995 0.026 18694 1925 1 4 . 1 1 663 663 GLU C C 663 179.429 179.429 179.119 0.310 18694 1926 1 4 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.537 -0.044 18694 1927 1 4 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.652 -0.488 18694 1928 1 4 . 1 1 663 663 GLU H H 663 8.011 8.011 8.167 -0.156 18694 1929 1 4 . 1 1 664 664 LEU N N 664 119.460 119.460 119.562 -0.102 18694 1930 1 4 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.901 0.017 18694 1931 1 4 . 1 1 664 664 LEU C C 664 178.785 178.785 179.167 -0.382 18694 1932 1 4 . 1 1 664 664 LEU CA C 664 58.174 58.174 57.888 0.286 18694 1933 1 4 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.592 0.313 18694 1934 1 4 . 1 1 664 664 LEU H H 664 8.342 8.342 8.517 -0.175 18694 1935 1 4 . 1 1 665 665 GLU N N 665 118.822 118.822 119.136 -0.314 18694 1936 1 4 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.968 0.005 18694 1937 1 4 . 1 1 665 665 GLU C C 665 179.161 179.161 178.922 0.239 18694 1938 1 4 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.348 -0.533 18694 1939 1 4 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.204 -0.071 18694 1940 1 4 . 1 1 665 665 GLU H H 665 8.018 8.018 7.857 0.161 18694 1941 1 4 . 1 1 666 666 GLU N N 666 118.722 118.722 118.864 -0.142 18694 1942 1 4 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.003 -0.031 18694 1943 1 4 . 1 1 666 666 GLU C C 666 179.536 179.536 179.342 0.194 18694 1944 1 4 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.047 -0.137 18694 1945 1 4 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.064 -0.183 18694 1946 1 4 . 1 1 666 666 GLU H H 666 8.014 8.014 8.161 -0.147 18694 1947 1 4 . 1 1 667 667 LYS N N 667 119.177 119.177 118.849 0.328 18694 1948 1 4 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.035 0.106 18694 1949 1 4 . 1 1 667 667 LYS C C 667 179.425 179.425 179.418 0.007 18694 1950 1 4 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.743 -1.360 18694 1951 1 4 . 1 1 667 667 LYS CB C 667 32.005 32.005 31.907 0.098 18694 1952 1 4 . 1 1 667 667 LYS H H 667 8.056 8.056 8.488 -0.432 18694 1953 1 4 . 1 1 668 668 ARG N N 668 119.491 119.491 118.979 0.512 18694 1954 1 4 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.180 -0.221 18694 1955 1 4 . 1 1 668 668 ARG C C 668 178.260 178.260 177.711 0.549 18694 1956 1 4 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.102 0.862 18694 1957 1 4 . 1 1 668 668 ARG CB C 668 30.211 30.211 30.411 -0.200 18694 1958 1 4 . 1 1 668 668 ARG H H 668 8.218 8.218 7.458 0.760 18694 1959 1 4 . 1 1 669 669 ARG N N 669 117.972 117.972 117.925 0.047 18694 1960 1 4 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.172 -0.002 18694 1961 1 4 . 1 1 669 669 ARG C C 669 177.325 177.325 177.921 -0.596 18694 1962 1 4 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.003 -0.452 18694 1963 1 4 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.173 -0.064 18694 1964 1 4 . 1 1 669 669 ARG H H 669 7.793 7.793 8.081 -0.288 18694 1965 1 4 . 1 1 670 670 SER N N 670 114.336 114.336 113.117 1.219 18694 1966 1 4 . 1 1 670 670 SER HA H 670 4.410 4.410 4.266 0.144 18694 1967 1 4 . 1 1 670 670 SER C C 670 174.266 174.266 175.338 -1.072 18694 1968 1 4 . 1 1 670 670 SER CA C 670 58.946 58.946 60.518 -1.572 18694 1969 1 4 . 1 1 670 670 SER CB C 670 63.814 63.814 63.531 0.283 18694 1970 1 4 . 1 1 670 670 SER H H 670 7.794 7.794 8.174 -0.380 18694 1971 1 4 . 1 1 671 671 ARG N N 671 122.062 122.062 123.965 -1.903 18694 1972 1 4 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.248 0.099 18694 1973 1 4 . 1 1 671 671 ARG C C 671 175.272 175.272 175.268 0.004 18694 1974 1 4 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.056 0.065 18694 1975 1 4 . 1 1 671 671 ARG CB C 671 30.507 30.507 29.490 1.017 18694 1976 1 4 . 1 1 671 671 ARG H H 671 7.740 7.740 7.546 0.194 18694 1977 1 5 . 1 1 587 587 VAL N N 587 119.752 119.752 119.596 0.156 18694 1978 1 5 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.565 -0.467 18694 1979 1 5 . 1 1 587 587 VAL C C 587 176.340 176.340 174.882 1.458 18694 1980 1 5 . 1 1 587 587 VAL CA C 587 62.229 62.229 59.569 2.660 18694 1981 1 5 . 1 1 587 587 VAL CB C 587 32.782 32.782 35.027 -2.245 18694 1982 1 5 . 1 1 587 587 VAL H H 587 8.027 8.027 7.442 0.585 18694 1983 1 5 . 1 1 588 588 ARG N N 588 125.669 125.669 117.861 7.808 18694 1984 1 5 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.139 0.183 18694 1985 1 5 . 1 1 588 588 ARG C C 588 176.109 176.109 175.579 0.530 18694 1986 1 5 . 1 1 588 588 ARG CA C 588 56.167 56.167 57.044 -0.877 18694 1987 1 5 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.056 0.595 18694 1988 1 5 . 1 1 588 588 ARG H H 588 8.528 8.528 8.363 0.165 18694 1989 1 5 . 1 1 589 589 LYS N N 589 121.018 121.018 120.006 1.012 18694 1990 1 5 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.066 0.120 18694 1991 1 5 . 1 1 589 589 LYS C C 589 177.598 177.598 175.152 2.446 18694 1992 1 5 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.298 -0.375 18694 1993 1 5 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.484 0.105 18694 1994 1 5 . 1 1 589 589 LYS H H 589 8.116 8.116 7.459 0.657 18694 1995 1 5 . 1 1 590 590 GLY N N 590 112.531 112.531 113.620 -1.089 18694 1996 1 5 . 1 1 590 590 GLY C C 590 176.465 176.465 173.645 2.820 18694 1997 1 5 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.510 2.687 18694 1998 1 5 . 1 1 590 590 GLY H H 590 8.669 8.669 7.397 1.272 18694 1999 1 5 . 1 1 591 591 TRP N N 591 119.435 119.435 120.766 -1.331 18694 2000 1 5 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.539 -0.034 18694 2001 1 5 . 1 1 591 591 TRP C C 591 178.177 178.177 176.892 1.285 18694 2002 1 5 . 1 1 591 591 TRP CA C 591 58.128 58.128 58.264 -0.136 18694 2003 1 5 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.046 -1.292 18694 2004 1 5 . 1 1 591 591 TRP H H 591 8.026 8.026 7.365 0.661 18694 2005 1 5 . 1 1 592 592 HIS N N 592 119.340 119.340 117.806 1.534 18694 2006 1 5 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.842 -1.341 18694 2007 1 5 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.824 -0.546 18694 2008 1 5 . 1 1 592 592 HIS CB C 592 28.484 28.484 29.762 -1.278 18694 2009 1 5 . 1 1 592 592 HIS H H 592 7.165 7.165 8.518 -1.353 18694 2010 1 5 . 1 1 593 593 GLU N N 593 116.536 116.536 120.282 -3.746 18694 2011 1 5 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.298 -0.318 18694 2012 1 5 . 1 1 593 593 GLU C C 593 176.675 176.675 176.746 -0.071 18694 2013 1 5 . 1 1 593 593 GLU CA C 593 58.108 58.108 57.960 0.148 18694 2014 1 5 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.849 0.331 18694 2015 1 5 . 1 1 593 593 GLU H H 593 7.726 7.726 8.648 -0.922 18694 2016 1 5 . 1 1 594 594 HIS N N 594 112.885 112.885 114.060 -1.175 18694 2017 1 5 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.993 -0.043 18694 2018 1 5 . 1 1 594 594 HIS CA C 594 54.264 54.264 54.521 -0.257 18694 2019 1 5 . 1 1 594 594 HIS CB C 594 29.182 29.182 30.354 -1.172 18694 2020 1 5 . 1 1 594 594 HIS H H 594 7.530 7.530 7.818 -0.288 18694 2021 1 5 . 1 1 595 595 VAL N N 595 120.678 120.678 120.556 0.122 18694 2022 1 5 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.371 0.129 18694 2023 1 5 . 1 1 595 595 VAL C C 595 174.593 174.593 175.035 -0.442 18694 2024 1 5 . 1 1 595 595 VAL CA C 595 62.043 62.043 62.140 -0.097 18694 2025 1 5 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.221 -1.859 18694 2026 1 5 . 1 1 595 595 VAL H H 595 7.492 7.492 7.281 0.211 18694 2027 1 5 . 1 1 596 596 THR N N 596 115.525 115.525 119.297 -3.772 18694 2028 1 5 . 1 1 596 596 THR HA H 596 4.494 4.494 4.679 -0.185 18694 2029 1 5 . 1 1 596 596 THR C C 596 175.419 175.419 175.641 -0.222 18694 2030 1 5 . 1 1 596 596 THR CA C 596 60.001 60.001 59.926 0.075 18694 2031 1 5 . 1 1 596 596 THR CB C 596 71.072 71.072 70.549 0.523 18694 2032 1 5 . 1 1 596 596 THR H H 596 7.583 7.583 8.202 -0.619 18694 2033 1 5 . 1 1 597 597 GLN N N 597 120.346 120.346 122.841 -2.495 18694 2034 1 5 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.121 -0.303 18694 2035 1 5 . 1 1 597 597 GLN C C 597 178.079 178.079 177.602 0.477 18694 2036 1 5 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.161 -0.407 18694 2037 1 5 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.624 -0.612 18694 2038 1 5 . 1 1 597 597 GLN H H 597 8.929 8.929 8.926 0.003 18694 2039 1 5 . 1 1 598 598 ASP N N 598 117.842 117.842 120.041 -2.199 18694 2040 1 5 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.401 -0.061 18694 2041 1 5 . 1 1 598 598 ASP C C 598 178.494 178.494 178.707 -0.213 18694 2042 1 5 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.420 -0.527 18694 2043 1 5 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.559 -0.025 18694 2044 1 5 . 1 1 598 598 ASP H H 598 8.382 8.382 7.977 0.405 18694 2045 1 5 . 1 1 599 599 LEU N N 599 123.174 123.174 120.075 3.099 18694 2046 1 5 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.041 0.202 18694 2047 1 5 . 1 1 599 599 LEU C C 599 179.129 179.129 178.256 0.873 18694 2048 1 5 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.115 0.328 18694 2049 1 5 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.836 -0.202 18694 2050 1 5 . 1 1 599 599 LEU H H 599 7.671 7.671 8.179 -0.508 18694 2051 1 5 . 1 1 600 600 ARG N N 600 118.132 118.132 117.731 0.401 18694 2052 1 5 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.168 0.154 18694 2053 1 5 . 1 1 600 600 ARG C C 600 179.103 179.103 179.112 -0.009 18694 2054 1 5 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.804 0.592 18694 2055 1 5 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.187 0.333 18694 2056 1 5 . 1 1 600 600 ARG H H 600 7.768 7.768 7.863 -0.095 18694 2057 1 5 . 1 1 601 601 SER N N 601 112.865 112.865 114.483 -1.618 18694 2058 1 5 . 1 1 601 601 SER HA H 601 4.134 4.134 4.283 -0.149 18694 2059 1 5 . 1 1 601 601 SER C C 601 177.665 177.665 176.460 1.205 18694 2060 1 5 . 1 1 601 601 SER CA C 601 61.534 61.534 61.860 -0.326 18694 2061 1 5 . 1 1 601 601 SER CB C 601 62.758 62.758 62.907 -0.149 18694 2062 1 5 . 1 1 601 601 SER H H 601 8.501 8.501 8.087 0.414 18694 2063 1 5 . 1 1 602 602 HIS N N 602 121.543 121.543 122.761 -1.218 18694 2064 1 5 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.168 0.325 18694 2065 1 5 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.255 -1.346 18694 2066 1 5 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.005 -1.916 18694 2067 1 5 . 1 1 602 602 HIS H H 602 8.098 8.098 8.313 -0.215 18694 2068 1 5 . 1 1 603 603 LEU N N 603 122.394 122.394 118.915 3.479 18694 2069 1 5 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.953 0.075 18694 2070 1 5 . 1 1 603 603 LEU C C 603 179.275 179.275 178.935 0.340 18694 2071 1 5 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.942 0.155 18694 2072 1 5 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.568 -1.346 18694 2073 1 5 . 1 1 603 603 LEU H H 603 8.293 8.293 8.066 0.227 18694 2074 1 5 . 1 1 604 604 VAL N N 604 120.325 120.325 119.512 0.813 18694 2075 1 5 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.564 -0.136 18694 2076 1 5 . 1 1 604 604 VAL C C 604 178.026 178.026 177.958 0.068 18694 2077 1 5 . 1 1 604 604 VAL CA C 604 67.892 67.892 67.327 0.565 18694 2078 1 5 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.289 0.314 18694 2079 1 5 . 1 1 604 604 VAL H H 604 8.409 8.409 7.621 0.788 18694 2080 1 5 . 1 1 605 605 HIS N N 605 116.275 116.275 118.696 -2.421 18694 2081 1 5 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.200 0.052 18694 2082 1 5 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.734 -0.643 18694 2083 1 5 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.454 -1.574 18694 2084 1 5 . 1 1 605 605 HIS H H 605 7.908 7.908 7.904 0.004 18694 2085 1 5 . 1 1 606 606 LYS N N 606 119.506 119.506 119.696 -0.190 18694 2086 1 5 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.008 0.265 18694 2087 1 5 . 1 1 606 606 LYS C C 606 178.947 178.947 179.054 -0.107 18694 2088 1 5 . 1 1 606 606 LYS CA C 606 58.804 58.804 58.844 -0.040 18694 2089 1 5 . 1 1 606 606 LYS H H 606 8.092 8.092 7.638 0.454 18694 2090 1 5 . 1 1 607 607 LEU N N 607 121.321 121.321 121.294 0.027 18694 2091 1 5 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.006 -0.048 18694 2092 1 5 . 1 1 607 607 LEU C C 607 177.899 177.899 178.503 -0.604 18694 2093 1 5 . 1 1 607 607 LEU CA C 607 58.826 58.826 58.068 0.758 18694 2094 1 5 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.126 0.397 18694 2095 1 5 . 1 1 607 607 LEU H H 607 7.994 7.994 7.878 0.116 18694 2096 1 5 . 1 1 608 608 VAL N N 608 118.191 118.191 118.739 -0.548 18694 2097 1 5 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.579 -0.232 18694 2098 1 5 . 1 1 608 608 VAL C C 608 177.033 177.033 178.417 -1.384 18694 2099 1 5 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.270 1.673 18694 2100 1 5 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.873 0.779 18694 2101 1 5 . 1 1 608 608 VAL H H 608 8.036 8.036 8.248 -0.212 18694 2102 1 5 . 1 1 609 609 GLN N N 609 116.772 116.772 119.755 -2.983 18694 2103 1 5 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.142 -0.254 18694 2104 1 5 . 1 1 609 609 GLN C C 609 176.992 176.992 177.229 -0.237 18694 2105 1 5 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.320 -0.212 18694 2106 1 5 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.461 0.692 18694 2107 1 5 . 1 1 609 609 GLN H H 609 8.108 8.108 8.461 -0.353 18694 2108 1 5 . 1 1 610 610 ALA N N 610 119.316 119.316 119.990 -0.674 18694 2109 1 5 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.214 -0.181 18694 2110 1 5 . 1 1 610 610 ALA C C 610 178.498 178.498 178.860 -0.362 18694 2111 1 5 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.459 -0.681 18694 2112 1 5 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.685 0.707 18694 2113 1 5 . 1 1 610 610 ALA H H 610 7.756 7.756 7.560 0.196 18694 2114 1 5 . 1 1 611 611 ILE N N 611 115.839 115.839 115.990 -0.151 18694 2115 1 5 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.064 -0.389 18694 2116 1 5 . 1 1 611 611 ILE C C 611 174.299 174.299 176.634 -2.335 18694 2117 1 5 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.269 0.456 18694 2118 1 5 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.026 0.280 18694 2119 1 5 . 1 1 611 611 ILE H H 611 7.498 7.498 7.295 0.203 18694 2120 1 5 . 1 1 612 612 PHE N N 612 116.531 116.531 119.878 -3.347 18694 2121 1 5 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.000 0.096 18694 2122 1 5 . 1 1 612 612 PHE C C 612 171.610 171.610 173.375 -1.765 18694 2123 1 5 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.864 -3.147 18694 2124 1 5 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.045 -1.363 18694 2125 1 5 . 1 1 612 612 PHE H H 612 8.235 8.235 8.072 0.163 18694 2126 1 5 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.501 0.072 18694 2127 1 5 . 1 1 613 613 PRO C C 613 178.269 178.269 176.216 2.053 18694 2128 1 5 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.870 0.908 18694 2129 1 5 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.870 0.574 18694 2130 1 5 . 1 1 614 614 THR N N 614 109.561 109.561 112.492 -2.931 18694 2131 1 5 . 1 1 614 614 THR HA H 614 4.470 4.470 4.202 0.268 18694 2132 1 5 . 1 1 614 614 THR C C 614 172.048 172.048 172.968 -0.920 18694 2133 1 5 . 1 1 614 614 THR CA C 614 58.106 58.106 59.430 -1.324 18694 2134 1 5 . 1 1 614 614 THR CB C 614 69.549 69.549 67.996 1.553 18694 2135 1 5 . 1 1 614 614 THR H H 614 8.025 8.025 7.276 0.749 18694 2136 1 5 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.480 -0.490 18694 2137 1 5 . 1 1 615 615 PRO C C 615 176.462 176.462 176.056 0.406 18694 2138 1 5 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.307 0.385 18694 2139 1 5 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.048 0.254 18694 2140 1 5 . 1 1 616 616 ASP N N 616 122.743 122.743 123.800 -1.057 18694 2141 1 5 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.811 -0.058 18694 2142 1 5 . 1 1 616 616 ASP C C 616 174.226 174.226 176.082 -1.856 18694 2143 1 5 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.245 0.613 18694 2144 1 5 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.216 -3.286 18694 2145 1 5 . 1 1 616 616 ASP H H 616 8.145 8.145 7.903 0.242 18694 2146 1 5 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.333 -0.223 18694 2147 1 5 . 1 1 617 617 PRO C C 617 178.885 178.885 176.861 2.024 18694 2148 1 5 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.814 1.200 18694 2149 1 5 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.915 0.019 18694 2150 1 5 . 1 1 618 618 ALA N N 618 118.548 118.548 120.475 -1.927 18694 2151 1 5 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.290 -0.207 18694 2152 1 5 . 1 1 618 618 ALA C C 618 180.518 180.518 179.974 0.544 18694 2153 1 5 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.960 0.762 18694 2154 1 5 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.651 -0.460 18694 2155 1 5 . 1 1 618 618 ALA H H 618 8.093 8.093 7.921 0.172 18694 2156 1 5 . 1 1 619 619 ALA N N 619 122.623 122.623 122.728 -0.105 18694 2157 1 5 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.101 0.224 18694 2158 1 5 . 1 1 619 619 ALA C C 619 179.318 179.318 179.959 -0.641 18694 2159 1 5 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.744 -0.059 18694 2160 1 5 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.446 0.209 18694 2161 1 5 . 1 1 619 619 ALA H H 619 8.039 8.039 9.104 -1.065 18694 2162 1 5 . 1 1 620 620 LEU N N 620 114.041 114.041 116.590 -2.549 18694 2163 1 5 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.231 -0.184 18694 2164 1 5 . 1 1 620 620 LEU C C 620 178.288 178.288 177.774 0.514 18694 2165 1 5 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.121 0.018 18694 2166 1 5 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.531 0.616 18694 2167 1 5 . 1 1 620 620 LEU H H 620 7.606 7.606 8.207 -0.601 18694 2168 1 5 . 1 1 621 621 LYS N N 621 115.255 115.255 116.582 -1.327 18694 2169 1 5 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.368 -0.031 18694 2170 1 5 . 1 1 621 621 LYS C C 621 175.867 175.867 175.586 0.281 18694 2171 1 5 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.472 -0.019 18694 2172 1 5 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.782 0.099 18694 2173 1 5 . 1 1 621 621 LYS H H 621 7.272 7.272 7.438 -0.166 18694 2174 1 5 . 1 1 622 622 ASP N N 622 123.382 123.382 120.472 2.910 18694 2175 1 5 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.705 -0.212 18694 2176 1 5 . 1 1 622 622 ASP C C 622 178.117 178.117 176.612 1.505 18694 2177 1 5 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.988 0.896 18694 2178 1 5 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.610 1.377 18694 2179 1 5 . 1 1 622 622 ASP H H 622 7.454 7.454 7.695 -0.241 18694 2180 1 5 . 1 1 623 623 ARG N N 623 130.356 130.356 125.893 4.463 18694 2181 1 5 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.246 -0.159 18694 2182 1 5 . 1 1 623 623 ARG C C 623 178.321 178.321 178.326 -0.005 18694 2183 1 5 . 1 1 623 623 ARG CA C 623 58.789 58.789 59.307 -0.518 18694 2184 1 5 . 1 1 623 623 ARG CB C 623 29.511 29.511 30.299 -0.788 18694 2185 1 5 . 1 1 623 623 ARG H H 623 9.107 9.107 8.738 0.369 18694 2186 1 5 . 1 1 624 624 ARG N N 624 119.125 119.125 118.483 0.642 18694 2187 1 5 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.242 -0.408 18694 2188 1 5 . 1 1 624 624 ARG C C 624 178.521 178.521 178.521 0.000 18694 2189 1 5 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.591 0.088 18694 2190 1 5 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.986 -1.887 18694 2191 1 5 . 1 1 624 624 ARG H H 624 9.582 9.582 7.829 1.753 18694 2192 1 5 . 1 1 625 625 MET N N 625 120.202 120.202 119.014 1.188 18694 2193 1 5 . 1 1 625 625 MET HA H 625 4.527 4.527 4.040 0.487 18694 2194 1 5 . 1 1 625 625 MET C C 625 178.749 178.749 177.396 1.353 18694 2195 1 5 . 1 1 625 625 MET CA C 625 56.796 56.796 59.273 -2.477 18694 2196 1 5 . 1 1 625 625 MET CB C 625 30.890 30.890 32.259 -1.369 18694 2197 1 5 . 1 1 625 625 MET H H 625 7.953 7.953 7.764 0.189 18694 2198 1 5 . 1 1 626 626 GLU N N 626 117.897 117.897 117.947 -0.050 18694 2199 1 5 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.886 0.174 18694 2200 1 5 . 1 1 626 626 GLU C C 626 179.640 179.640 178.728 0.912 18694 2201 1 5 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.630 -0.650 18694 2202 1 5 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.919 -0.387 18694 2203 1 5 . 1 1 626 626 GLU H H 626 7.431 7.431 7.969 -0.538 18694 2204 1 5 . 1 1 627 627 ASN N N 627 117.950 117.950 118.153 -0.203 18694 2205 1 5 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.426 0.063 18694 2206 1 5 . 1 1 627 627 ASN C C 627 177.540 177.540 177.651 -0.111 18694 2207 1 5 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.780 0.018 18694 2208 1 5 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.183 -0.679 18694 2209 1 5 . 1 1 627 627 ASN H H 627 7.442 7.442 7.820 -0.378 18694 2210 1 5 . 1 1 628 628 LEU N N 628 124.396 124.396 120.617 3.779 18694 2211 1 5 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.192 -0.003 18694 2212 1 5 . 1 1 628 628 LEU C C 628 177.838 177.838 178.099 -0.261 18694 2213 1 5 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.052 1.290 18694 2214 1 5 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.612 0.089 18694 2215 1 5 . 1 1 628 628 LEU H H 628 7.873 7.873 7.273 0.600 18694 2216 1 5 . 1 1 629 629 VAL N N 629 120.503 120.503 120.343 0.160 18694 2217 1 5 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.578 -0.095 18694 2218 1 5 . 1 1 629 629 VAL C C 629 177.552 177.552 178.031 -0.479 18694 2219 1 5 . 1 1 629 629 VAL CA C 629 67.225 67.225 67.010 0.215 18694 2220 1 5 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.058 0.629 18694 2221 1 5 . 1 1 629 629 VAL H H 629 8.246 8.246 7.918 0.328 18694 2222 1 5 . 1 1 630 630 ALA N N 630 120.687 120.687 122.644 -1.957 18694 2223 1 5 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.039 -0.007 18694 2224 1 5 . 1 1 630 630 ALA C C 630 180.849 180.849 179.466 1.383 18694 2225 1 5 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.124 0.290 18694 2226 1 5 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.150 -0.058 18694 2227 1 5 . 1 1 630 630 ALA H H 630 8.159 8.159 8.384 -0.225 18694 2228 1 5 . 1 1 631 631 TYR N N 631 121.083 121.083 120.137 0.946 18694 2229 1 5 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.061 0.178 18694 2230 1 5 . 1 1 631 631 TYR C C 631 177.591 177.591 177.163 0.428 18694 2231 1 5 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.943 0.368 18694 2232 1 5 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.364 -0.145 18694 2233 1 5 . 1 1 631 631 TYR H H 631 8.102 8.102 8.343 -0.241 18694 2234 1 5 . 1 1 632 632 ALA N N 632 122.444 122.444 121.450 0.994 18694 2235 1 5 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.843 -0.161 18694 2236 1 5 . 1 1 632 632 ALA C C 632 179.014 179.014 179.616 -0.602 18694 2237 1 5 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.285 0.057 18694 2238 1 5 . 1 1 632 632 ALA CB C 632 19.824 19.824 17.927 1.897 18694 2239 1 5 . 1 1 632 632 ALA H H 632 8.292 8.292 8.106 0.186 18694 2240 1 5 . 1 1 633 633 LYS N N 633 115.912 115.912 118.216 -2.304 18694 2241 1 5 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.042 -0.031 18694 2242 1 5 . 1 1 633 633 LYS C C 633 180.004 180.004 179.113 0.891 18694 2243 1 5 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.082 0.622 18694 2244 1 5 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.964 0.703 18694 2245 1 5 . 1 1 633 633 LYS H H 633 8.548 8.548 7.745 0.803 18694 2246 1 5 . 1 1 634 634 LYS N N 634 123.870 123.870 120.490 3.380 18694 2247 1 5 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.956 0.056 18694 2248 1 5 . 1 1 634 634 LYS C C 634 178.603 178.603 178.866 -0.263 18694 2249 1 5 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.187 -0.085 18694 2250 1 5 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.761 0.028 18694 2251 1 5 . 1 1 634 634 LYS H H 634 7.943 7.943 7.480 0.463 18694 2252 1 5 . 1 1 635 635 VAL N N 635 119.215 119.215 119.712 -0.497 18694 2253 1 5 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.406 0.270 18694 2254 1 5 . 1 1 635 635 VAL C C 635 178.574 178.574 177.190 1.384 18694 2255 1 5 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.408 -1.308 18694 2256 1 5 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.449 0.162 18694 2257 1 5 . 1 1 635 635 VAL H H 635 8.165 8.165 7.871 0.294 18694 2258 1 5 . 1 1 636 636 GLU N N 636 120.094 120.094 119.699 0.395 18694 2259 1 5 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.039 -0.177 18694 2260 1 5 . 1 1 636 636 GLU C C 636 178.666 178.666 179.290 -0.624 18694 2261 1 5 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.724 1.965 18694 2262 1 5 . 1 1 636 636 GLU CB C 636 28.719 28.719 29.333 -0.614 18694 2263 1 5 . 1 1 636 636 GLU H H 636 8.331 8.331 8.087 0.244 18694 2264 1 5 . 1 1 637 637 GLY N N 637 106.839 106.839 107.549 -0.710 18694 2265 1 5 . 1 1 637 637 GLY C C 637 176.614 176.614 176.044 0.570 18694 2266 1 5 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.859 0.478 18694 2267 1 5 . 1 1 637 637 GLY H H 637 8.145 8.145 8.241 -0.096 18694 2268 1 5 . 1 1 638 638 ASP N N 638 122.731 122.731 123.224 -0.493 18694 2269 1 5 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.404 0.139 18694 2270 1 5 . 1 1 638 638 ASP C C 638 180.109 180.109 179.068 1.041 18694 2271 1 5 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.968 -0.074 18694 2272 1 5 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.155 -1.067 18694 2273 1 5 . 1 1 638 638 ASP H H 638 8.338 8.338 8.409 -0.071 18694 2274 1 5 . 1 1 639 639 MET N N 639 121.055 121.055 118.239 2.816 18694 2275 1 5 . 1 1 639 639 MET HA H 639 4.389 4.389 4.230 0.159 18694 2276 1 5 . 1 1 639 639 MET C C 639 177.737 177.737 178.216 -0.479 18694 2277 1 5 . 1 1 639 639 MET CA C 639 58.675 58.675 56.890 1.785 18694 2278 1 5 . 1 1 639 639 MET CB C 639 32.530 32.530 31.166 1.364 18694 2279 1 5 . 1 1 639 639 MET H H 639 8.193 8.193 8.448 -0.255 18694 2280 1 5 . 1 1 640 640 TYR N N 640 121.235 121.235 118.191 3.044 18694 2281 1 5 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.923 0.375 18694 2282 1 5 . 1 1 640 640 TYR C C 640 178.311 178.311 177.019 1.292 18694 2283 1 5 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.523 0.384 18694 2284 1 5 . 1 1 640 640 TYR CB C 640 38.950 38.950 38.041 0.909 18694 2285 1 5 . 1 1 640 640 TYR H H 640 9.328 9.328 7.683 1.645 18694 2286 1 5 . 1 1 641 641 GLU N N 641 115.098 115.098 117.001 -1.903 18694 2287 1 5 . 1 1 641 641 GLU HA H 641 4.366 4.366 4.013 0.353 18694 2288 1 5 . 1 1 641 641 GLU C C 641 178.006 178.006 178.877 -0.871 18694 2289 1 5 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.937 -1.491 18694 2290 1 5 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.520 0.182 18694 2291 1 5 . 1 1 641 641 GLU H H 641 8.079 8.079 7.868 0.211 18694 2292 1 5 . 1 1 642 642 SER N N 642 112.869 112.869 115.752 -2.883 18694 2293 1 5 . 1 1 642 642 SER HA H 642 4.394 4.394 4.230 0.164 18694 2294 1 5 . 1 1 642 642 SER C C 642 175.251 175.251 176.335 -1.084 18694 2295 1 5 . 1 1 642 642 SER CA C 642 60.175 60.175 60.746 -0.571 18694 2296 1 5 . 1 1 642 642 SER CB C 642 64.388 64.388 63.113 1.275 18694 2297 1 5 . 1 1 642 642 SER H H 642 7.968 7.968 7.661 0.307 18694 2298 1 5 . 1 1 643 643 ALA N N 643 123.763 123.763 124.739 -0.976 18694 2299 1 5 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.077 0.150 18694 2300 1 5 . 1 1 643 643 ALA C C 643 177.897 177.897 176.500 1.397 18694 2301 1 5 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.639 -0.040 18694 2302 1 5 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.483 3.209 18694 2303 1 5 . 1 1 643 643 ALA H H 643 8.096 8.096 8.667 -0.571 18694 2304 1 5 . 1 1 644 644 ASN N N 644 117.176 117.176 116.077 1.099 18694 2305 1 5 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.585 0.525 18694 2306 1 5 . 1 1 644 644 ASN C C 644 173.978 173.978 174.237 -0.259 18694 2307 1 5 . 1 1 644 644 ASN CA C 644 53.354 53.354 54.281 -0.927 18694 2308 1 5 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.081 1.138 18694 2309 1 5 . 1 1 644 644 ASN H H 644 9.102 9.102 8.222 0.880 18694 2310 1 5 . 1 1 645 645 SER N N 645 111.225 111.225 111.553 -0.328 18694 2311 1 5 . 1 1 645 645 SER HA H 645 3.632 3.632 4.640 -1.008 18694 2312 1 5 . 1 1 645 645 SER C C 645 171.965 171.965 174.790 -2.825 18694 2313 1 5 . 1 1 645 645 SER CA C 645 56.522 56.522 56.997 -0.475 18694 2314 1 5 . 1 1 645 645 SER CB C 645 64.968 64.968 66.501 -1.533 18694 2315 1 5 . 1 1 645 645 SER H H 645 6.865 6.865 7.336 -0.471 18694 2316 1 5 . 1 1 646 646 ARG N N 646 121.944 121.944 123.360 -1.416 18694 2317 1 5 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.211 -1.025 18694 2318 1 5 . 1 1 646 646 ARG C C 646 177.709 177.709 178.610 -0.901 18694 2319 1 5 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.793 -0.762 18694 2320 1 5 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.752 0.501 18694 2321 1 5 . 1 1 646 646 ARG H H 646 8.685 8.685 8.854 -0.169 18694 2322 1 5 . 1 1 647 647 ASP N N 647 116.817 116.817 117.551 -0.734 18694 2323 1 5 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.510 -0.215 18694 2324 1 5 . 1 1 647 647 ASP C C 647 178.860 178.860 178.383 0.477 18694 2325 1 5 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.628 -0.503 18694 2326 1 5 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.550 -0.261 18694 2327 1 5 . 1 1 647 647 ASP H H 647 8.119 8.119 8.546 -0.427 18694 2328 1 5 . 1 1 648 648 GLU N N 648 121.231 121.231 120.503 0.728 18694 2329 1 5 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.131 -0.141 18694 2330 1 5 . 1 1 648 648 GLU C C 648 177.064 177.064 178.461 -1.397 18694 2331 1 5 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.365 -0.103 18694 2332 1 5 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.276 0.862 18694 2333 1 5 . 1 1 648 648 GLU H H 648 7.799 7.799 7.801 -0.002 18694 2334 1 5 . 1 1 649 649 TYR N N 649 122.045 122.045 121.044 1.001 18694 2335 1 5 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.134 -0.135 18694 2336 1 5 . 1 1 649 649 TYR C C 649 176.140 176.140 177.851 -1.711 18694 2337 1 5 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.345 0.324 18694 2338 1 5 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.192 0.765 18694 2339 1 5 . 1 1 649 649 TYR H H 649 7.338 7.338 7.936 -0.598 18694 2340 1 5 . 1 1 650 650 TYR N N 650 115.581 115.581 116.790 -1.209 18694 2341 1 5 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.993 0.006 18694 2342 1 5 . 1 1 650 650 TYR C C 650 179.058 179.058 178.142 0.916 18694 2343 1 5 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.597 -2.104 18694 2344 1 5 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.962 -0.320 18694 2345 1 5 . 1 1 650 650 TYR H H 650 8.072 8.072 8.050 0.022 18694 2346 1 5 . 1 1 651 651 HIS N N 651 118.435 118.435 119.653 -1.218 18694 2347 1 5 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.270 0.043 18694 2348 1 5 . 1 1 651 651 HIS CA C 651 59.303 59.303 59.703 -0.400 18694 2349 1 5 . 1 1 651 651 HIS CB C 651 28.256 28.256 29.670 -1.414 18694 2350 1 5 . 1 1 651 651 HIS H H 651 8.311 8.311 7.975 0.336 18694 2351 1 5 . 1 1 652 652 LEU N N 652 121.135 121.135 119.681 1.454 18694 2352 1 5 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.778 0.215 18694 2353 1 5 . 1 1 652 652 LEU C C 652 180.822 180.822 179.002 1.820 18694 2354 1 5 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.226 -0.333 18694 2355 1 5 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.745 0.292 18694 2356 1 5 . 1 1 652 652 LEU H H 652 9.141 9.141 8.248 0.893 18694 2357 1 5 . 1 1 653 653 LEU N N 653 120.947 120.947 118.838 2.109 18694 2358 1 5 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.839 -0.006 18694 2359 1 5 . 1 1 653 653 LEU C C 653 178.085 178.085 178.834 -0.749 18694 2360 1 5 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.043 0.295 18694 2361 1 5 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.291 0.595 18694 2362 1 5 . 1 1 653 653 LEU H H 653 7.769 7.769 7.438 0.331 18694 2363 1 5 . 1 1 654 654 ALA N N 654 120.863 120.863 121.292 -0.429 18694 2364 1 5 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.885 -0.001 18694 2365 1 5 . 1 1 654 654 ALA C C 654 180.274 180.274 179.468 0.806 18694 2366 1 5 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.280 0.076 18694 2367 1 5 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.849 0.341 18694 2368 1 5 . 1 1 654 654 ALA H H 654 8.111 8.111 8.077 0.034 18694 2369 1 5 . 1 1 655 655 GLU N N 655 118.047 118.047 118.621 -0.574 18694 2370 1 5 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.994 0.024 18694 2371 1 5 . 1 1 655 655 GLU C C 655 178.311 178.311 179.030 -0.719 18694 2372 1 5 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.600 -0.521 18694 2373 1 5 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.491 -0.077 18694 2374 1 5 . 1 1 655 655 GLU H H 655 8.363 8.363 8.105 0.258 18694 2375 1 5 . 1 1 656 656 LYS N N 656 120.122 120.122 118.762 1.360 18694 2376 1 5 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.103 -0.053 18694 2377 1 5 . 1 1 656 656 LYS C C 656 178.388 178.388 179.369 -0.981 18694 2378 1 5 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.346 -0.217 18694 2379 1 5 . 1 1 656 656 LYS CB C 656 31.410 31.410 31.898 -0.488 18694 2380 1 5 . 1 1 656 656 LYS H H 656 7.852 7.852 7.636 0.216 18694 2381 1 5 . 1 1 657 657 ILE N N 657 118.294 118.294 120.546 -2.252 18694 2382 1 5 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.680 -0.289 18694 2383 1 5 . 1 1 657 657 ILE C C 657 177.061 177.061 177.958 -0.897 18694 2384 1 5 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.719 0.807 18694 2385 1 5 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.872 0.028 18694 2386 1 5 . 1 1 657 657 ILE H H 657 8.199 8.199 8.294 -0.095 18694 2387 1 5 . 1 1 658 658 TYR N N 658 119.430 119.430 120.817 -1.387 18694 2388 1 5 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.382 -0.079 18694 2389 1 5 . 1 1 658 658 TYR C C 658 177.869 177.869 177.724 0.145 18694 2390 1 5 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.057 0.812 18694 2391 1 5 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.213 -0.008 18694 2392 1 5 . 1 1 658 658 TYR H H 658 8.066 8.066 8.083 -0.017 18694 2393 1 5 . 1 1 659 659 LYS N N 659 118.321 118.321 119.254 -0.933 18694 2394 1 5 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.889 -0.075 18694 2395 1 5 . 1 1 659 659 LYS C C 659 180.019 180.019 179.171 0.848 18694 2396 1 5 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.998 0.862 18694 2397 1 5 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.820 0.871 18694 2398 1 5 . 1 1 659 659 LYS H H 659 8.309 8.309 8.173 0.136 18694 2399 1 5 . 1 1 660 660 ILE N N 660 121.103 121.103 120.454 0.649 18694 2400 1 5 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.649 -0.063 18694 2401 1 5 . 1 1 660 660 ILE C C 660 177.404 177.404 177.939 -0.535 18694 2402 1 5 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.005 1.071 18694 2403 1 5 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.941 0.443 18694 2404 1 5 . 1 1 660 660 ILE H H 660 8.546 8.546 8.283 0.263 18694 2405 1 5 . 1 1 661 661 GLN N N 661 118.093 118.093 118.973 -0.880 18694 2406 1 5 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.912 0.019 18694 2407 1 5 . 1 1 661 661 GLN C C 661 179.682 179.682 178.326 1.356 18694 2408 1 5 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.186 0.682 18694 2409 1 5 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.498 -0.437 18694 2410 1 5 . 1 1 661 661 GLN H H 661 8.554 8.554 8.150 0.404 18694 2411 1 5 . 1 1 662 662 LYS N N 662 119.532 119.532 120.255 -0.723 18694 2412 1 5 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.842 0.119 18694 2413 1 5 . 1 1 662 662 LYS C C 662 178.745 178.745 178.732 0.013 18694 2414 1 5 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.041 -0.520 18694 2415 1 5 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.783 -0.161 18694 2416 1 5 . 1 1 662 662 LYS H H 662 8.110 8.110 8.042 0.068 18694 2417 1 5 . 1 1 663 663 GLU N N 663 121.313 121.313 119.843 1.470 18694 2418 1 5 . 1 1 663 663 GLU HA H 663 4.021 4.021 3.987 0.034 18694 2419 1 5 . 1 1 663 663 GLU C C 663 179.429 179.429 179.201 0.228 18694 2420 1 5 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.422 0.071 18694 2421 1 5 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.288 -0.124 18694 2422 1 5 . 1 1 663 663 GLU H H 663 8.011 8.011 7.898 0.113 18694 2423 1 5 . 1 1 664 664 LEU N N 664 119.460 119.460 119.462 -0.002 18694 2424 1 5 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.959 -0.041 18694 2425 1 5 . 1 1 664 664 LEU C C 664 178.785 178.785 179.047 -0.262 18694 2426 1 5 . 1 1 664 664 LEU CA C 664 58.174 58.174 57.903 0.271 18694 2427 1 5 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.590 0.315 18694 2428 1 5 . 1 1 664 664 LEU H H 664 8.342 8.342 7.895 0.447 18694 2429 1 5 . 1 1 665 665 GLU N N 665 118.822 118.822 119.720 -0.898 18694 2430 1 5 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.915 0.058 18694 2431 1 5 . 1 1 665 665 GLU C C 665 179.161 179.161 178.839 0.322 18694 2432 1 5 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.717 -0.902 18694 2433 1 5 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.622 -0.489 18694 2434 1 5 . 1 1 665 665 GLU H H 665 8.018 8.018 7.971 0.047 18694 2435 1 5 . 1 1 666 666 GLU N N 666 118.722 118.722 119.654 -0.932 18694 2436 1 5 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.003 -0.031 18694 2437 1 5 . 1 1 666 666 GLU C C 666 179.536 179.536 179.035 0.501 18694 2438 1 5 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.190 -0.280 18694 2439 1 5 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.444 -0.563 18694 2440 1 5 . 1 1 666 666 GLU H H 666 8.014 8.014 8.435 -0.421 18694 2441 1 5 . 1 1 667 667 LYS N N 667 119.177 119.177 117.580 1.597 18694 2442 1 5 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.115 0.026 18694 2443 1 5 . 1 1 667 667 LYS C C 667 179.425 179.425 179.220 0.205 18694 2444 1 5 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.867 -1.484 18694 2445 1 5 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.188 -0.183 18694 2446 1 5 . 1 1 667 667 LYS H H 667 8.056 8.056 7.974 0.082 18694 2447 1 5 . 1 1 668 668 ARG N N 668 119.491 119.491 117.348 2.143 18694 2448 1 5 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.540 -0.581 18694 2449 1 5 . 1 1 668 668 ARG C C 668 178.260 178.260 178.938 -0.678 18694 2450 1 5 . 1 1 668 668 ARG CA C 668 58.964 58.964 56.393 2.571 18694 2451 1 5 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.821 0.390 18694 2452 1 5 . 1 1 668 668 ARG H H 668 8.218 8.218 7.726 0.492 18694 2453 1 5 . 1 1 669 669 ARG N N 669 117.972 117.972 120.826 -2.854 18694 2454 1 5 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.168 0.002 18694 2455 1 5 . 1 1 669 669 ARG C C 669 177.325 177.325 177.180 0.145 18694 2456 1 5 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.307 -0.756 18694 2457 1 5 . 1 1 669 669 ARG CB C 669 30.109 30.109 29.815 0.294 18694 2458 1 5 . 1 1 669 669 ARG H H 669 7.793 7.793 7.902 -0.109 18694 2459 1 5 . 1 1 670 670 SER N N 670 114.336 114.336 113.250 1.086 18694 2460 1 5 . 1 1 670 670 SER HA H 670 4.410 4.410 4.439 -0.029 18694 2461 1 5 . 1 1 670 670 SER C C 670 174.266 174.266 174.281 -0.015 18694 2462 1 5 . 1 1 670 670 SER CA C 670 58.946 58.946 58.473 0.473 18694 2463 1 5 . 1 1 670 670 SER CB C 670 63.814 63.814 63.542 0.272 18694 2464 1 5 . 1 1 670 670 SER H H 670 7.794 7.794 7.508 0.286 18694 2465 1 5 . 1 1 671 671 ARG N N 671 122.062 122.062 120.818 1.244 18694 2466 1 5 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.387 -0.040 18694 2467 1 5 . 1 1 671 671 ARG C C 671 175.272 175.272 174.162 1.110 18694 2468 1 5 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.268 -0.147 18694 2469 1 5 . 1 1 671 671 ARG CB C 671 30.507 30.507 30.150 0.357 18694 2470 1 5 . 1 1 671 671 ARG H H 671 7.740 7.740 7.434 0.306 18694 2471 1 6 . 1 1 587 587 VAL N N 587 119.752 119.752 118.516 1.236 18694 2472 1 6 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.465 -0.367 18694 2473 1 6 . 1 1 587 587 VAL C C 587 176.340 176.340 176.468 -0.128 18694 2474 1 6 . 1 1 587 587 VAL CA C 587 62.229 62.229 60.606 1.623 18694 2475 1 6 . 1 1 587 587 VAL CB C 587 32.782 32.782 34.330 -1.548 18694 2476 1 6 . 1 1 587 587 VAL H H 587 8.027 8.027 8.029 -0.002 18694 2477 1 6 . 1 1 588 588 ARG N N 588 125.669 125.669 121.375 4.294 18694 2478 1 6 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.178 0.144 18694 2479 1 6 . 1 1 588 588 ARG C C 588 176.109 176.109 176.214 -0.105 18694 2480 1 6 . 1 1 588 588 ARG CA C 588 56.167 56.167 57.143 -0.976 18694 2481 1 6 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.356 0.295 18694 2482 1 6 . 1 1 588 588 ARG H H 588 8.528 8.528 8.461 0.067 18694 2483 1 6 . 1 1 589 589 LYS N N 589 121.018 121.018 120.133 0.885 18694 2484 1 6 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.744 0.442 18694 2485 1 6 . 1 1 589 589 LYS C C 589 177.598 177.598 174.849 2.749 18694 2486 1 6 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.123 -0.200 18694 2487 1 6 . 1 1 589 589 LYS CB C 589 32.589 32.589 31.868 0.721 18694 2488 1 6 . 1 1 589 589 LYS H H 589 8.116 8.116 7.582 0.534 18694 2489 1 6 . 1 1 590 590 GLY N N 590 112.531 112.531 109.163 3.368 18694 2490 1 6 . 1 1 590 590 GLY C C 590 176.465 176.465 174.581 1.884 18694 2491 1 6 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.169 3.027 18694 2492 1 6 . 1 1 590 590 GLY H H 590 8.669 8.669 7.126 1.543 18694 2493 1 6 . 1 1 591 591 TRP N N 591 119.435 119.435 118.650 0.785 18694 2494 1 6 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.487 0.018 18694 2495 1 6 . 1 1 591 591 TRP C C 591 178.177 178.177 175.786 2.391 18694 2496 1 6 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.832 0.296 18694 2497 1 6 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.928 -1.174 18694 2498 1 6 . 1 1 591 591 TRP H H 591 8.026 8.026 6.979 1.047 18694 2499 1 6 . 1 1 592 592 HIS N N 592 119.340 119.340 116.871 2.469 18694 2500 1 6 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.701 -1.200 18694 2501 1 6 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.564 -0.286 18694 2502 1 6 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.227 -1.743 18694 2503 1 6 . 1 1 592 592 HIS H H 592 7.165 7.165 8.527 -1.362 18694 2504 1 6 . 1 1 593 593 GLU N N 593 116.536 116.536 119.610 -3.074 18694 2505 1 6 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.084 -0.104 18694 2506 1 6 . 1 1 593 593 GLU C C 593 176.675 176.675 176.886 -0.211 18694 2507 1 6 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.458 -0.349 18694 2508 1 6 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.257 0.923 18694 2509 1 6 . 1 1 593 593 GLU H H 593 7.726 7.726 8.602 -0.876 18694 2510 1 6 . 1 1 594 594 HIS N N 594 112.885 112.885 114.315 -1.430 18694 2511 1 6 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.706 0.244 18694 2512 1 6 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.163 -0.898 18694 2513 1 6 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.366 0.816 18694 2514 1 6 . 1 1 594 594 HIS H H 594 7.530 7.530 8.607 -1.077 18694 2515 1 6 . 1 1 595 595 VAL N N 595 120.678 120.678 117.610 3.068 18694 2516 1 6 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.475 0.025 18694 2517 1 6 . 1 1 595 595 VAL C C 595 174.593 174.593 174.963 -0.370 18694 2518 1 6 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.612 1.431 18694 2519 1 6 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.237 -1.875 18694 2520 1 6 . 1 1 595 595 VAL H H 595 7.492 7.492 7.464 0.028 18694 2521 1 6 . 1 1 596 596 THR N N 596 115.525 115.525 118.110 -2.585 18694 2522 1 6 . 1 1 596 596 THR HA H 596 4.494 4.494 4.503 -0.009 18694 2523 1 6 . 1 1 596 596 THR C C 596 175.419 175.419 175.584 -0.165 18694 2524 1 6 . 1 1 596 596 THR CA C 596 60.001 60.001 61.025 -1.024 18694 2525 1 6 . 1 1 596 596 THR CB C 596 71.072 71.072 70.757 0.315 18694 2526 1 6 . 1 1 596 596 THR H H 596 7.583 7.583 8.468 -0.885 18694 2527 1 6 . 1 1 597 597 GLN N N 597 120.346 120.346 125.845 -5.499 18694 2528 1 6 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.029 -0.211 18694 2529 1 6 . 1 1 597 597 GLN C C 597 178.079 178.079 177.616 0.463 18694 2530 1 6 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.254 -0.500 18694 2531 1 6 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.624 -0.612 18694 2532 1 6 . 1 1 597 597 GLN H H 597 8.929 8.929 8.866 0.063 18694 2533 1 6 . 1 1 598 598 ASP N N 598 117.842 117.842 120.286 -2.444 18694 2534 1 6 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.399 -0.059 18694 2535 1 6 . 1 1 598 598 ASP C C 598 178.494 178.494 178.727 -0.233 18694 2536 1 6 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.594 -0.701 18694 2537 1 6 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.655 -0.121 18694 2538 1 6 . 1 1 598 598 ASP H H 598 8.382 8.382 7.812 0.570 18694 2539 1 6 . 1 1 599 599 LEU N N 599 123.174 123.174 120.126 3.048 18694 2540 1 6 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.069 0.174 18694 2541 1 6 . 1 1 599 599 LEU C C 599 179.129 179.129 178.487 0.642 18694 2542 1 6 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.732 0.711 18694 2543 1 6 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.775 -0.141 18694 2544 1 6 . 1 1 599 599 LEU H H 599 7.671 7.671 8.040 -0.369 18694 2545 1 6 . 1 1 600 600 ARG N N 600 118.132 118.132 118.211 -0.079 18694 2546 1 6 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.013 0.309 18694 2547 1 6 . 1 1 600 600 ARG C C 600 179.103 179.103 179.037 0.066 18694 2548 1 6 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.694 0.702 18694 2549 1 6 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.157 0.364 18694 2550 1 6 . 1 1 600 600 ARG H H 600 7.768 7.768 7.631 0.137 18694 2551 1 6 . 1 1 601 601 SER N N 601 112.865 112.865 114.915 -2.050 18694 2552 1 6 . 1 1 601 601 SER HA H 601 4.134 4.134 3.928 0.206 18694 2553 1 6 . 1 1 601 601 SER C C 601 177.665 177.665 176.255 1.410 18694 2554 1 6 . 1 1 601 601 SER CA C 601 61.534 61.534 61.819 -0.285 18694 2555 1 6 . 1 1 601 601 SER CB C 601 62.758 62.758 62.635 0.123 18694 2556 1 6 . 1 1 601 601 SER H H 601 8.501 8.501 8.455 0.046 18694 2557 1 6 . 1 1 602 602 HIS N N 602 121.543 121.543 123.560 -2.017 18694 2558 1 6 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.359 0.134 18694 2559 1 6 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.360 -0.451 18694 2560 1 6 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.077 -1.988 18694 2561 1 6 . 1 1 602 602 HIS H H 602 8.098 8.098 8.293 -0.195 18694 2562 1 6 . 1 1 603 603 LEU N N 603 122.394 122.394 119.091 3.303 18694 2563 1 6 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.960 0.068 18694 2564 1 6 . 1 1 603 603 LEU C C 603 179.275 179.275 178.910 0.365 18694 2565 1 6 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.973 0.124 18694 2566 1 6 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.647 -1.425 18694 2567 1 6 . 1 1 603 603 LEU H H 603 8.293 8.293 7.966 0.327 18694 2568 1 6 . 1 1 604 604 VAL N N 604 120.325 120.325 120.022 0.303 18694 2569 1 6 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.557 -0.129 18694 2570 1 6 . 1 1 604 604 VAL C C 604 178.026 178.026 178.315 -0.289 18694 2571 1 6 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.109 1.783 18694 2572 1 6 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.737 0.866 18694 2573 1 6 . 1 1 604 604 VAL H H 604 8.409 8.409 7.778 0.631 18694 2574 1 6 . 1 1 605 605 HIS N N 605 116.275 116.275 118.708 -2.433 18694 2575 1 6 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.185 0.067 18694 2576 1 6 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.927 -0.836 18694 2577 1 6 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.386 -1.506 18694 2578 1 6 . 1 1 605 605 HIS H H 605 7.908 7.908 8.194 -0.286 18694 2579 1 6 . 1 1 606 606 LYS N N 606 119.506 119.506 120.301 -0.795 18694 2580 1 6 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.034 0.239 18694 2581 1 6 . 1 1 606 606 LYS C C 606 178.947 178.947 178.928 0.019 18694 2582 1 6 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.651 -0.847 18694 2583 1 6 . 1 1 606 606 LYS H H 606 8.092 8.092 7.746 0.346 18694 2584 1 6 . 1 1 607 607 LEU N N 607 121.321 121.321 121.661 -0.340 18694 2585 1 6 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.994 -0.036 18694 2586 1 6 . 1 1 607 607 LEU C C 607 177.899 177.899 178.444 -0.545 18694 2587 1 6 . 1 1 607 607 LEU CA C 607 58.826 58.826 58.025 0.801 18694 2588 1 6 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.077 0.446 18694 2589 1 6 . 1 1 607 607 LEU H H 607 7.994 7.994 7.974 0.020 18694 2590 1 6 . 1 1 608 608 VAL N N 608 118.191 118.191 119.183 -0.992 18694 2591 1 6 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.642 -0.295 18694 2592 1 6 . 1 1 608 608 VAL C C 608 177.033 177.033 178.255 -1.222 18694 2593 1 6 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.476 1.467 18694 2594 1 6 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.976 0.676 18694 2595 1 6 . 1 1 608 608 VAL H H 608 8.036 8.036 8.354 -0.318 18694 2596 1 6 . 1 1 609 609 GLN N N 609 116.772 116.772 120.042 -3.270 18694 2597 1 6 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.204 -0.316 18694 2598 1 6 . 1 1 609 609 GLN C C 609 176.992 176.992 177.763 -0.771 18694 2599 1 6 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.628 -0.520 18694 2600 1 6 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.726 0.427 18694 2601 1 6 . 1 1 609 609 GLN H H 609 8.108 8.108 8.483 -0.375 18694 2602 1 6 . 1 1 610 610 ALA N N 610 119.316 119.316 120.527 -1.211 18694 2603 1 6 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.138 -0.105 18694 2604 1 6 . 1 1 610 610 ALA C C 610 178.498 178.498 179.252 -0.754 18694 2605 1 6 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.648 -0.870 18694 2606 1 6 . 1 1 610 610 ALA CB C 610 19.392 19.392 19.007 0.385 18694 2607 1 6 . 1 1 610 610 ALA H H 610 7.756 7.756 7.748 0.008 18694 2608 1 6 . 1 1 611 611 ILE N N 611 115.839 115.839 115.879 -0.040 18694 2609 1 6 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.034 -0.359 18694 2610 1 6 . 1 1 611 611 ILE C C 611 174.299 174.299 176.650 -2.351 18694 2611 1 6 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.870 -0.145 18694 2612 1 6 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.144 0.162 18694 2613 1 6 . 1 1 611 611 ILE H H 611 7.498 7.498 7.477 0.021 18694 2614 1 6 . 1 1 612 612 PHE N N 612 116.531 116.531 119.745 -3.214 18694 2615 1 6 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.007 0.089 18694 2616 1 6 . 1 1 612 612 PHE C C 612 171.610 171.610 173.385 -1.775 18694 2617 1 6 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.699 -2.983 18694 2618 1 6 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.079 -1.397 18694 2619 1 6 . 1 1 612 612 PHE H H 612 8.235 8.235 7.986 0.249 18694 2620 1 6 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.430 0.143 18694 2621 1 6 . 1 1 613 613 PRO C C 613 178.269 178.269 176.125 2.144 18694 2622 1 6 . 1 1 613 613 PRO CA C 613 64.778 64.778 64.133 0.645 18694 2623 1 6 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.931 0.513 18694 2624 1 6 . 1 1 614 614 THR N N 614 109.561 109.561 112.713 -3.152 18694 2625 1 6 . 1 1 614 614 THR HA H 614 4.470 4.470 4.410 0.060 18694 2626 1 6 . 1 1 614 614 THR C C 614 172.048 172.048 172.580 -0.532 18694 2627 1 6 . 1 1 614 614 THR CA C 614 58.106 58.106 58.381 -0.275 18694 2628 1 6 . 1 1 614 614 THR CB C 614 69.549 69.549 68.185 1.364 18694 2629 1 6 . 1 1 614 614 THR H H 614 8.025 8.025 7.145 0.880 18694 2630 1 6 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.403 -0.413 18694 2631 1 6 . 1 1 615 615 PRO C C 615 176.462 176.462 175.985 0.477 18694 2632 1 6 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.344 0.348 18694 2633 1 6 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.945 0.357 18694 2634 1 6 . 1 1 616 616 ASP N N 616 122.743 122.743 124.032 -1.289 18694 2635 1 6 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.683 0.070 18694 2636 1 6 . 1 1 616 616 ASP C C 616 174.226 174.226 176.855 -2.629 18694 2637 1 6 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.793 0.065 18694 2638 1 6 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.188 -3.258 18694 2639 1 6 . 1 1 616 616 ASP H H 616 8.145 8.145 7.805 0.340 18694 2640 1 6 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.255 -0.145 18694 2641 1 6 . 1 1 617 617 PRO C C 617 178.885 178.885 177.165 1.720 18694 2642 1 6 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.899 1.116 18694 2643 1 6 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.997 -0.063 18694 2644 1 6 . 1 1 618 618 ALA N N 618 118.548 118.548 120.130 -1.582 18694 2645 1 6 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.265 -0.182 18694 2646 1 6 . 1 1 618 618 ALA C C 618 180.518 180.518 179.965 0.553 18694 2647 1 6 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.073 0.649 18694 2648 1 6 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.570 -0.379 18694 2649 1 6 . 1 1 618 618 ALA H H 618 8.093 8.093 7.929 0.164 18694 2650 1 6 . 1 1 619 619 ALA N N 619 122.623 122.623 122.600 0.023 18694 2651 1 6 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.122 0.203 18694 2652 1 6 . 1 1 619 619 ALA C C 619 179.318 179.318 180.017 -0.699 18694 2653 1 6 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.726 -0.041 18694 2654 1 6 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.393 0.262 18694 2655 1 6 . 1 1 619 619 ALA H H 619 8.039 8.039 8.606 -0.567 18694 2656 1 6 . 1 1 620 620 LEU N N 620 114.041 114.041 117.128 -3.087 18694 2657 1 6 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.222 -0.175 18694 2658 1 6 . 1 1 620 620 LEU C C 620 178.288 178.288 177.536 0.752 18694 2659 1 6 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.045 0.094 18694 2660 1 6 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.532 0.615 18694 2661 1 6 . 1 1 620 620 LEU H H 620 7.606 7.606 8.083 -0.477 18694 2662 1 6 . 1 1 621 621 LYS N N 621 115.255 115.255 115.380 -0.125 18694 2663 1 6 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.396 -0.059 18694 2664 1 6 . 1 1 621 621 LYS C C 621 175.867 175.867 175.735 0.132 18694 2665 1 6 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.465 -0.012 18694 2666 1 6 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.724 0.157 18694 2667 1 6 . 1 1 621 621 LYS H H 621 7.272 7.272 7.536 -0.264 18694 2668 1 6 . 1 1 622 622 ASP N N 622 123.382 123.382 120.975 2.407 18694 2669 1 6 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.659 -0.166 18694 2670 1 6 . 1 1 622 622 ASP C C 622 178.117 178.117 177.035 1.082 18694 2671 1 6 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.099 0.784 18694 2672 1 6 . 1 1 622 622 ASP CB C 622 43.987 43.987 43.328 0.659 18694 2673 1 6 . 1 1 622 622 ASP H H 622 7.454 7.454 7.753 -0.299 18694 2674 1 6 . 1 1 623 623 ARG N N 623 130.356 130.356 125.660 4.696 18694 2675 1 6 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.193 -0.106 18694 2676 1 6 . 1 1 623 623 ARG C C 623 178.321 178.321 178.753 -0.432 18694 2677 1 6 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.590 0.199 18694 2678 1 6 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.967 -0.456 18694 2679 1 6 . 1 1 623 623 ARG H H 623 9.107 9.107 8.792 0.315 18694 2680 1 6 . 1 1 624 624 ARG N N 624 119.125 119.125 119.756 -0.631 18694 2681 1 6 . 1 1 624 624 ARG HA H 624 3.834 3.834 3.982 -0.148 18694 2682 1 6 . 1 1 624 624 ARG C C 624 178.521 178.521 178.441 0.080 18694 2683 1 6 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.430 -0.751 18694 2684 1 6 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.863 -1.764 18694 2685 1 6 . 1 1 624 624 ARG H H 624 9.582 9.582 8.840 0.742 18694 2686 1 6 . 1 1 625 625 MET N N 625 120.202 120.202 118.859 1.343 18694 2687 1 6 . 1 1 625 625 MET HA H 625 4.527 4.527 4.180 0.347 18694 2688 1 6 . 1 1 625 625 MET C C 625 178.749 178.749 177.985 0.764 18694 2689 1 6 . 1 1 625 625 MET CA C 625 56.796 56.796 58.650 -1.854 18694 2690 1 6 . 1 1 625 625 MET CB C 625 30.890 30.890 32.409 -1.519 18694 2691 1 6 . 1 1 625 625 MET H H 625 7.953 7.953 7.652 0.301 18694 2692 1 6 . 1 1 626 626 GLU N N 626 117.897 117.897 119.667 -1.770 18694 2693 1 6 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.893 0.167 18694 2694 1 6 . 1 1 626 626 GLU C C 626 179.640 179.640 179.098 0.542 18694 2695 1 6 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.823 -0.843 18694 2696 1 6 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.232 -0.700 18694 2697 1 6 . 1 1 626 626 GLU H H 626 7.431 7.431 7.837 -0.406 18694 2698 1 6 . 1 1 627 627 ASN N N 627 117.950 117.950 118.210 -0.260 18694 2699 1 6 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.484 0.005 18694 2700 1 6 . 1 1 627 627 ASN C C 627 177.540 177.540 177.790 -0.250 18694 2701 1 6 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.261 -0.463 18694 2702 1 6 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.614 -1.110 18694 2703 1 6 . 1 1 627 627 ASN H H 627 7.442 7.442 8.254 -0.812 18694 2704 1 6 . 1 1 628 628 LEU N N 628 124.396 124.396 118.965 5.431 18694 2705 1 6 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.267 -0.078 18694 2706 1 6 . 1 1 628 628 LEU C C 628 177.838 177.838 178.101 -0.263 18694 2707 1 6 . 1 1 628 628 LEU CA C 628 59.342 59.342 57.870 1.472 18694 2708 1 6 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.447 0.254 18694 2709 1 6 . 1 1 628 628 LEU H H 628 7.873 7.873 7.409 0.464 18694 2710 1 6 . 1 1 629 629 VAL N N 629 120.503 120.503 120.372 0.131 18694 2711 1 6 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.574 -0.091 18694 2712 1 6 . 1 1 629 629 VAL C C 629 177.552 177.552 178.153 -0.601 18694 2713 1 6 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.909 0.316 18694 2714 1 6 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.372 0.315 18694 2715 1 6 . 1 1 629 629 VAL H H 629 8.246 8.246 8.059 0.187 18694 2716 1 6 . 1 1 630 630 ALA N N 630 120.687 120.687 122.675 -1.988 18694 2717 1 6 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.042 -0.010 18694 2718 1 6 . 1 1 630 630 ALA C C 630 180.849 180.849 179.310 1.539 18694 2719 1 6 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.198 0.216 18694 2720 1 6 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.078 0.014 18694 2721 1 6 . 1 1 630 630 ALA H H 630 8.159 8.159 8.364 -0.204 18694 2722 1 6 . 1 1 631 631 TYR N N 631 121.083 121.083 120.359 0.724 18694 2723 1 6 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.060 0.179 18694 2724 1 6 . 1 1 631 631 TYR C C 631 177.591 177.591 177.231 0.360 18694 2725 1 6 . 1 1 631 631 TYR CA C 631 61.311 61.311 61.143 0.168 18694 2726 1 6 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.304 -0.085 18694 2727 1 6 . 1 1 631 631 TYR H H 631 8.102 8.102 8.210 -0.108 18694 2728 1 6 . 1 1 632 632 ALA N N 632 122.444 122.444 121.719 0.725 18694 2729 1 6 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.865 -0.183 18694 2730 1 6 . 1 1 632 632 ALA C C 632 179.014 179.014 179.653 -0.639 18694 2731 1 6 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.368 -0.026 18694 2732 1 6 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.004 1.820 18694 2733 1 6 . 1 1 632 632 ALA H H 632 8.292 8.292 8.127 0.165 18694 2734 1 6 . 1 1 633 633 LYS N N 633 115.912 115.912 118.444 -2.532 18694 2735 1 6 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.988 0.022 18694 2736 1 6 . 1 1 633 633 LYS C C 633 180.004 180.004 178.692 1.312 18694 2737 1 6 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.130 0.574 18694 2738 1 6 . 1 1 633 633 LYS CB C 633 32.667 32.667 32.030 0.637 18694 2739 1 6 . 1 1 633 633 LYS H H 633 8.548 8.548 7.822 0.726 18694 2740 1 6 . 1 1 634 634 LYS N N 634 123.870 123.870 120.150 3.720 18694 2741 1 6 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.949 0.063 18694 2742 1 6 . 1 1 634 634 LYS C C 634 178.603 178.603 178.692 -0.089 18694 2743 1 6 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.315 -0.213 18694 2744 1 6 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.079 -0.290 18694 2745 1 6 . 1 1 634 634 LYS H H 634 7.943 7.943 7.766 0.177 18694 2746 1 6 . 1 1 635 635 VAL N N 635 119.215 119.215 118.982 0.233 18694 2747 1 6 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.467 0.209 18694 2748 1 6 . 1 1 635 635 VAL C C 635 178.574 178.574 177.569 1.005 18694 2749 1 6 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.287 -1.187 18694 2750 1 6 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.443 0.168 18694 2751 1 6 . 1 1 635 635 VAL H H 635 8.165 8.165 8.128 0.037 18694 2752 1 6 . 1 1 636 636 GLU N N 636 120.094 120.094 119.807 0.287 18694 2753 1 6 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.016 -0.154 18694 2754 1 6 . 1 1 636 636 GLU C C 636 178.666 178.666 179.111 -0.445 18694 2755 1 6 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.476 2.213 18694 2756 1 6 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.748 -0.029 18694 2757 1 6 . 1 1 636 636 GLU H H 636 8.331 8.331 8.083 0.248 18694 2758 1 6 . 1 1 637 637 GLY N N 637 106.839 106.839 107.987 -1.148 18694 2759 1 6 . 1 1 637 637 GLY C C 637 176.614 176.614 176.319 0.295 18694 2760 1 6 . 1 1 637 637 GLY CA C 637 47.337 47.337 47.377 -0.040 18694 2761 1 6 . 1 1 637 637 GLY H H 637 8.145 8.145 8.265 -0.120 18694 2762 1 6 . 1 1 638 638 ASP N N 638 122.731 122.731 123.015 -0.284 18694 2763 1 6 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.417 0.126 18694 2764 1 6 . 1 1 638 638 ASP C C 638 180.109 180.109 178.940 1.169 18694 2765 1 6 . 1 1 638 638 ASP CA C 638 56.894 56.894 57.609 -0.715 18694 2766 1 6 . 1 1 638 638 ASP CB C 638 40.088 40.088 40.705 -0.617 18694 2767 1 6 . 1 1 638 638 ASP H H 638 8.338 8.338 8.007 0.331 18694 2768 1 6 . 1 1 639 639 MET N N 639 121.055 121.055 119.021 2.034 18694 2769 1 6 . 1 1 639 639 MET HA H 639 4.389 4.389 4.242 0.147 18694 2770 1 6 . 1 1 639 639 MET C C 639 177.737 177.737 178.180 -0.443 18694 2771 1 6 . 1 1 639 639 MET CA C 639 58.675 58.675 56.459 2.216 18694 2772 1 6 . 1 1 639 639 MET CB C 639 32.530 32.530 31.801 0.729 18694 2773 1 6 . 1 1 639 639 MET H H 639 8.193 8.193 8.613 -0.420 18694 2774 1 6 . 1 1 640 640 TYR N N 640 121.235 121.235 120.278 0.957 18694 2775 1 6 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.723 0.575 18694 2776 1 6 . 1 1 640 640 TYR C C 640 178.311 178.311 177.431 0.880 18694 2777 1 6 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.119 0.788 18694 2778 1 6 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.525 1.425 18694 2779 1 6 . 1 1 640 640 TYR H H 640 9.328 9.328 8.833 0.495 18694 2780 1 6 . 1 1 641 641 GLU N N 641 115.098 115.098 117.461 -2.363 18694 2781 1 6 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.876 0.490 18694 2782 1 6 . 1 1 641 641 GLU C C 641 178.006 178.006 178.512 -0.506 18694 2783 1 6 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.923 -1.477 18694 2784 1 6 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.061 0.641 18694 2785 1 6 . 1 1 641 641 GLU H H 641 8.079 8.079 7.795 0.284 18694 2786 1 6 . 1 1 642 642 SER N N 642 112.869 112.869 115.961 -3.092 18694 2787 1 6 . 1 1 642 642 SER HA H 642 4.394 4.394 4.219 0.175 18694 2788 1 6 . 1 1 642 642 SER C C 642 175.251 175.251 176.513 -1.262 18694 2789 1 6 . 1 1 642 642 SER CA C 642 60.175 60.175 61.070 -0.895 18694 2790 1 6 . 1 1 642 642 SER CB C 642 64.388 64.388 63.524 0.864 18694 2791 1 6 . 1 1 642 642 SER H H 642 7.968 7.968 7.454 0.514 18694 2792 1 6 . 1 1 643 643 ALA N N 643 123.763 123.763 123.286 0.477 18694 2793 1 6 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.125 0.102 18694 2794 1 6 . 1 1 643 643 ALA C C 643 177.897 177.897 176.611 1.286 18694 2795 1 6 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.817 -0.218 18694 2796 1 6 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.886 2.806 18694 2797 1 6 . 1 1 643 643 ALA H H 643 8.096 8.096 8.388 -0.292 18694 2798 1 6 . 1 1 644 644 ASN N N 644 117.176 117.176 116.184 0.992 18694 2799 1 6 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.457 0.653 18694 2800 1 6 . 1 1 644 644 ASN C C 644 173.978 173.978 174.890 -0.912 18694 2801 1 6 . 1 1 644 644 ASN CA C 644 53.354 53.354 54.193 -0.839 18694 2802 1 6 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.085 1.134 18694 2803 1 6 . 1 1 644 644 ASN H H 644 9.102 9.102 8.326 0.776 18694 2804 1 6 . 1 1 645 645 SER N N 645 111.225 111.225 112.614 -1.389 18694 2805 1 6 . 1 1 645 645 SER HA H 645 3.632 3.632 4.932 -1.300 18694 2806 1 6 . 1 1 645 645 SER C C 645 171.965 171.965 174.809 -2.844 18694 2807 1 6 . 1 1 645 645 SER CA C 645 56.522 56.522 57.326 -0.804 18694 2808 1 6 . 1 1 645 645 SER CB C 645 64.968 64.968 66.505 -1.537 18694 2809 1 6 . 1 1 645 645 SER H H 645 6.865 6.865 7.478 -0.613 18694 2810 1 6 . 1 1 646 646 ARG N N 646 121.944 121.944 124.027 -2.083 18694 2811 1 6 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.238 -1.052 18694 2812 1 6 . 1 1 646 646 ARG C C 646 177.709 177.709 178.548 -0.839 18694 2813 1 6 . 1 1 646 646 ARG CA C 646 59.031 59.031 60.155 -1.124 18694 2814 1 6 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.920 0.333 18694 2815 1 6 . 1 1 646 646 ARG H H 646 8.685 8.685 9.132 -0.447 18694 2816 1 6 . 1 1 647 647 ASP N N 647 116.817 116.817 117.820 -1.003 18694 2817 1 6 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.543 -0.248 18694 2818 1 6 . 1 1 647 647 ASP C C 647 178.860 178.860 178.394 0.466 18694 2819 1 6 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.788 -0.663 18694 2820 1 6 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.609 -0.320 18694 2821 1 6 . 1 1 647 647 ASP H H 647 8.119 8.119 8.652 -0.533 18694 2822 1 6 . 1 1 648 648 GLU N N 648 121.231 121.231 120.220 1.011 18694 2823 1 6 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.109 -0.119 18694 2824 1 6 . 1 1 648 648 GLU C C 648 177.064 177.064 178.552 -1.488 18694 2825 1 6 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.542 -0.280 18694 2826 1 6 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.640 0.498 18694 2827 1 6 . 1 1 648 648 GLU H H 648 7.799 7.799 8.062 -0.263 18694 2828 1 6 . 1 1 649 649 TYR N N 649 122.045 122.045 121.169 0.876 18694 2829 1 6 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.142 -0.143 18694 2830 1 6 . 1 1 649 649 TYR C C 649 176.140 176.140 177.885 -1.745 18694 2831 1 6 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.177 0.492 18694 2832 1 6 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.231 0.726 18694 2833 1 6 . 1 1 649 649 TYR H H 649 7.338 7.338 8.122 -0.784 18694 2834 1 6 . 1 1 650 650 TYR N N 650 115.581 115.581 116.715 -1.134 18694 2835 1 6 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.928 0.071 18694 2836 1 6 . 1 1 650 650 TYR C C 650 179.058 179.058 178.179 0.879 18694 2837 1 6 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.661 -2.168 18694 2838 1 6 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.000 -0.358 18694 2839 1 6 . 1 1 650 650 TYR H H 650 8.072 8.072 8.091 -0.019 18694 2840 1 6 . 1 1 651 651 HIS N N 651 118.435 118.435 119.694 -1.259 18694 2841 1 6 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.345 -0.032 18694 2842 1 6 . 1 1 651 651 HIS CA C 651 59.303 59.303 59.760 -0.457 18694 2843 1 6 . 1 1 651 651 HIS CB C 651 28.256 28.256 29.669 -1.413 18694 2844 1 6 . 1 1 651 651 HIS H H 651 8.311 8.311 8.058 0.253 18694 2845 1 6 . 1 1 652 652 LEU N N 652 121.135 121.135 119.897 1.238 18694 2846 1 6 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.853 0.140 18694 2847 1 6 . 1 1 652 652 LEU C C 652 180.822 180.822 179.116 1.706 18694 2848 1 6 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.348 -0.455 18694 2849 1 6 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.832 0.205 18694 2850 1 6 . 1 1 652 652 LEU H H 652 9.141 9.141 8.269 0.872 18694 2851 1 6 . 1 1 653 653 LEU N N 653 120.947 120.947 118.844 2.103 18694 2852 1 6 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.853 -0.020 18694 2853 1 6 . 1 1 653 653 LEU C C 653 178.085 178.085 178.797 -0.712 18694 2854 1 6 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.002 0.336 18694 2855 1 6 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.301 0.585 18694 2856 1 6 . 1 1 653 653 LEU H H 653 7.769 7.769 7.434 0.335 18694 2857 1 6 . 1 1 654 654 ALA N N 654 120.863 120.863 121.470 -0.607 18694 2858 1 6 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.887 -0.003 18694 2859 1 6 . 1 1 654 654 ALA C C 654 180.274 180.274 179.416 0.858 18694 2860 1 6 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.323 0.033 18694 2861 1 6 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.838 0.352 18694 2862 1 6 . 1 1 654 654 ALA H H 654 8.111 8.111 8.364 -0.253 18694 2863 1 6 . 1 1 655 655 GLU N N 655 118.047 118.047 118.446 -0.399 18694 2864 1 6 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.969 0.049 18694 2865 1 6 . 1 1 655 655 GLU C C 655 178.311 178.311 178.977 -0.666 18694 2866 1 6 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.569 -0.490 18694 2867 1 6 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.441 -0.027 18694 2868 1 6 . 1 1 655 655 GLU H H 655 8.363 8.363 8.292 0.071 18694 2869 1 6 . 1 1 656 656 LYS N N 656 120.122 120.122 119.031 1.091 18694 2870 1 6 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.098 -0.048 18694 2871 1 6 . 1 1 656 656 LYS C C 656 178.388 178.388 179.396 -1.008 18694 2872 1 6 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.659 -0.530 18694 2873 1 6 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.006 -0.596 18694 2874 1 6 . 1 1 656 656 LYS H H 656 7.852 7.852 7.608 0.244 18694 2875 1 6 . 1 1 657 657 ILE N N 657 118.294 118.294 120.116 -1.822 18694 2876 1 6 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.704 -0.313 18694 2877 1 6 . 1 1 657 657 ILE C C 657 177.061 177.061 178.084 -1.023 18694 2878 1 6 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.577 0.949 18694 2879 1 6 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.936 -0.036 18694 2880 1 6 . 1 1 657 657 ILE H H 657 8.199 8.199 8.218 -0.019 18694 2881 1 6 . 1 1 658 658 TYR N N 658 119.430 119.430 120.414 -0.984 18694 2882 1 6 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.040 0.263 18694 2883 1 6 . 1 1 658 658 TYR C C 658 177.869 177.869 177.407 0.462 18694 2884 1 6 . 1 1 658 658 TYR CA C 658 60.869 60.869 61.647 -0.778 18694 2885 1 6 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.177 0.028 18694 2886 1 6 . 1 1 658 658 TYR H H 658 8.066 8.066 8.239 -0.173 18694 2887 1 6 . 1 1 659 659 LYS N N 659 118.321 118.321 119.739 -1.418 18694 2888 1 6 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.947 -0.133 18694 2889 1 6 . 1 1 659 659 LYS C C 659 180.019 180.019 178.958 1.061 18694 2890 1 6 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.078 0.782 18694 2891 1 6 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.677 1.014 18694 2892 1 6 . 1 1 659 659 LYS H H 659 8.309 8.309 8.186 0.123 18694 2893 1 6 . 1 1 660 660 ILE N N 660 121.103 121.103 120.010 1.093 18694 2894 1 6 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.642 -0.056 18694 2895 1 6 . 1 1 660 660 ILE C C 660 177.404 177.404 177.710 -0.306 18694 2896 1 6 . 1 1 660 660 ILE CA C 660 66.076 66.076 64.809 1.267 18694 2897 1 6 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.950 0.434 18694 2898 1 6 . 1 1 660 660 ILE H H 660 8.546 8.546 8.175 0.371 18694 2899 1 6 . 1 1 661 661 GLN N N 661 118.093 118.093 118.872 -0.779 18694 2900 1 6 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.877 0.054 18694 2901 1 6 . 1 1 661 661 GLN C C 661 179.682 179.682 178.322 1.360 18694 2902 1 6 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.423 0.445 18694 2903 1 6 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.556 -0.495 18694 2904 1 6 . 1 1 661 661 GLN H H 661 8.554 8.554 8.137 0.417 18694 2905 1 6 . 1 1 662 662 LYS N N 662 119.532 119.532 118.684 0.848 18694 2906 1 6 . 1 1 662 662 LYS HA H 662 3.961 3.961 4.098 -0.137 18694 2907 1 6 . 1 1 662 662 LYS C C 662 178.745 178.745 178.997 -0.252 18694 2908 1 6 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.939 -0.418 18694 2909 1 6 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.493 0.129 18694 2910 1 6 . 1 1 662 662 LYS H H 662 8.110 8.110 7.893 0.217 18694 2911 1 6 . 1 1 663 663 GLU N N 663 121.313 121.313 120.242 1.071 18694 2912 1 6 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.034 -0.013 18694 2913 1 6 . 1 1 663 663 GLU C C 663 179.429 179.429 178.879 0.550 18694 2914 1 6 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.087 0.405 18694 2915 1 6 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.304 -0.140 18694 2916 1 6 . 1 1 663 663 GLU H H 663 8.011 8.011 7.517 0.494 18694 2917 1 6 . 1 1 664 664 LEU N N 664 119.460 119.460 119.393 0.067 18694 2918 1 6 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.889 0.029 18694 2919 1 6 . 1 1 664 664 LEU C C 664 178.785 178.785 179.147 -0.362 18694 2920 1 6 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.106 0.068 18694 2921 1 6 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.536 0.369 18694 2922 1 6 . 1 1 664 664 LEU H H 664 8.342 8.342 8.545 -0.203 18694 2923 1 6 . 1 1 665 665 GLU N N 665 118.822 118.822 118.017 0.805 18694 2924 1 6 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.924 0.049 18694 2925 1 6 . 1 1 665 665 GLU C C 665 179.161 179.161 179.138 0.023 18694 2926 1 6 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.023 -0.208 18694 2927 1 6 . 1 1 665 665 GLU CB C 665 29.133 29.133 28.904 0.229 18694 2928 1 6 . 1 1 665 665 GLU H H 665 8.018 8.018 7.851 0.167 18694 2929 1 6 . 1 1 666 666 GLU N N 666 118.722 118.722 120.733 -2.011 18694 2930 1 6 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.108 -0.136 18694 2931 1 6 . 1 1 666 666 GLU C C 666 179.536 179.536 179.275 0.261 18694 2932 1 6 . 1 1 666 666 GLU CA C 666 58.910 58.910 58.727 0.183 18694 2933 1 6 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.413 -0.532 18694 2934 1 6 . 1 1 666 666 GLU H H 666 8.014 8.014 7.635 0.379 18694 2935 1 6 . 1 1 667 667 LYS N N 667 119.177 119.177 118.832 0.345 18694 2936 1 6 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.099 0.042 18694 2937 1 6 . 1 1 667 667 LYS C C 667 179.425 179.425 178.989 0.436 18694 2938 1 6 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.116 -0.733 18694 2939 1 6 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.011 -0.006 18694 2940 1 6 . 1 1 667 667 LYS H H 667 8.056 8.056 8.405 -0.349 18694 2941 1 6 . 1 1 668 668 ARG N N 668 119.491 119.491 118.339 1.152 18694 2942 1 6 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.038 -0.079 18694 2943 1 6 . 1 1 668 668 ARG C C 668 178.260 178.260 177.463 0.797 18694 2944 1 6 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.084 0.880 18694 2945 1 6 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.985 0.226 18694 2946 1 6 . 1 1 668 668 ARG H H 668 8.218 8.218 8.021 0.197 18694 2947 1 6 . 1 1 669 669 ARG N N 669 117.972 117.972 118.331 -0.359 18694 2948 1 6 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.122 0.048 18694 2949 1 6 . 1 1 669 669 ARG C C 669 177.325 177.325 177.694 -0.369 18694 2950 1 6 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.490 -0.939 18694 2951 1 6 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.324 -0.215 18694 2952 1 6 . 1 1 669 669 ARG H H 669 7.793 7.793 7.532 0.261 18694 2953 1 6 . 1 1 670 670 SER N N 670 114.336 114.336 112.520 1.816 18694 2954 1 6 . 1 1 670 670 SER HA H 670 4.410 4.410 4.434 -0.024 18694 2955 1 6 . 1 1 670 670 SER C C 670 174.266 174.266 174.868 -0.602 18694 2956 1 6 . 1 1 670 670 SER CA C 670 58.946 58.946 58.740 0.206 18694 2957 1 6 . 1 1 670 670 SER CB C 670 63.814 63.814 65.206 -1.391 18694 2958 1 6 . 1 1 670 670 SER H H 670 7.794 7.794 7.803 -0.009 18694 2959 1 6 . 1 1 671 671 ARG N N 671 122.062 122.062 121.772 0.290 18694 2960 1 6 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.043 0.304 18694 2961 1 6 . 1 1 671 671 ARG C C 671 175.272 175.272 174.817 0.455 18694 2962 1 6 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.503 -0.382 18694 2963 1 6 . 1 1 671 671 ARG CB C 671 30.507 30.507 28.198 2.309 18694 2964 1 6 . 1 1 671 671 ARG H H 671 7.740 7.740 7.658 0.082 18694 2965 1 7 . 1 1 587 587 VAL N N 587 119.752 119.752 120.435 -0.683 18694 2966 1 7 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.574 -0.476 18694 2967 1 7 . 1 1 587 587 VAL C C 587 176.340 176.340 175.583 0.757 18694 2968 1 7 . 1 1 587 587 VAL CA C 587 62.229 62.229 60.965 1.264 18694 2969 1 7 . 1 1 587 587 VAL CB C 587 32.782 32.782 34.188 -1.406 18694 2970 1 7 . 1 1 587 587 VAL H H 587 8.027 8.027 7.810 0.217 18694 2971 1 7 . 1 1 588 588 ARG N N 588 125.669 125.669 121.553 4.116 18694 2972 1 7 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.398 -0.076 18694 2973 1 7 . 1 1 588 588 ARG C C 588 176.109 176.109 176.082 0.027 18694 2974 1 7 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.102 0.064 18694 2975 1 7 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.323 0.328 18694 2976 1 7 . 1 1 588 588 ARG H H 588 8.528 8.528 8.443 0.085 18694 2977 1 7 . 1 1 589 589 LYS N N 589 121.018 121.018 121.124 -0.106 18694 2978 1 7 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.913 0.273 18694 2979 1 7 . 1 1 589 589 LYS C C 589 177.598 177.598 176.222 1.376 18694 2980 1 7 . 1 1 589 589 LYS CA C 589 54.923 54.923 56.320 -1.397 18694 2981 1 7 . 1 1 589 589 LYS CB C 589 32.589 32.589 31.879 0.710 18694 2982 1 7 . 1 1 589 589 LYS H H 589 8.116 8.116 7.403 0.713 18694 2983 1 7 . 1 1 590 590 GLY N N 590 112.531 112.531 113.043 -0.512 18694 2984 1 7 . 1 1 590 590 GLY C C 590 176.465 176.465 173.858 2.607 18694 2985 1 7 . 1 1 590 590 GLY CA C 590 47.196 47.196 45.093 2.103 18694 2986 1 7 . 1 1 590 590 GLY H H 590 8.669 8.669 8.301 0.368 18694 2987 1 7 . 1 1 591 591 TRP N N 591 119.435 119.435 121.127 -1.692 18694 2988 1 7 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.012 0.493 18694 2989 1 7 . 1 1 591 591 TRP C C 591 178.177 178.177 176.045 2.132 18694 2990 1 7 . 1 1 591 591 TRP CA C 591 58.128 58.128 58.587 -0.459 18694 2991 1 7 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.665 -0.911 18694 2992 1 7 . 1 1 591 591 TRP H H 591 8.026 8.026 7.722 0.304 18694 2993 1 7 . 1 1 592 592 HIS N N 592 119.340 119.340 113.827 5.513 18694 2994 1 7 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.321 -0.820 18694 2995 1 7 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.693 -1.415 18694 2996 1 7 . 1 1 592 592 HIS CB C 592 28.484 28.484 29.931 -1.447 18694 2997 1 7 . 1 1 592 592 HIS H H 592 7.165 7.165 8.000 -0.835 18694 2998 1 7 . 1 1 593 593 GLU N N 593 116.536 116.536 119.509 -2.973 18694 2999 1 7 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.334 -0.354 18694 3000 1 7 . 1 1 593 593 GLU C C 593 176.675 176.675 177.316 -0.641 18694 3001 1 7 . 1 1 593 593 GLU CA C 593 58.108 58.108 57.873 0.235 18694 3002 1 7 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.341 -0.161 18694 3003 1 7 . 1 1 593 593 GLU H H 593 7.726 7.726 7.849 -0.123 18694 3004 1 7 . 1 1 594 594 HIS N N 594 112.885 112.885 115.575 -2.690 18694 3005 1 7 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.944 0.006 18694 3006 1 7 . 1 1 594 594 HIS CA C 594 54.264 54.264 54.293 -0.029 18694 3007 1 7 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.364 0.818 18694 3008 1 7 . 1 1 594 594 HIS H H 594 7.530 7.530 7.696 -0.166 18694 3009 1 7 . 1 1 595 595 VAL N N 595 120.678 120.678 120.309 0.369 18694 3010 1 7 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.523 -0.023 18694 3011 1 7 . 1 1 595 595 VAL C C 595 174.593 174.593 175.515 -0.922 18694 3012 1 7 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.287 0.756 18694 3013 1 7 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.166 -1.804 18694 3014 1 7 . 1 1 595 595 VAL H H 595 7.492 7.492 7.357 0.135 18694 3015 1 7 . 1 1 596 596 THR N N 596 115.525 115.525 119.965 -4.440 18694 3016 1 7 . 1 1 596 596 THR HA H 596 4.494 4.494 4.607 -0.113 18694 3017 1 7 . 1 1 596 596 THR C C 596 175.419 175.419 175.440 -0.021 18694 3018 1 7 . 1 1 596 596 THR CA C 596 60.001 60.001 60.651 -0.650 18694 3019 1 7 . 1 1 596 596 THR CB C 596 71.072 71.072 71.014 0.058 18694 3020 1 7 . 1 1 596 596 THR H H 596 7.583 7.583 8.306 -0.723 18694 3021 1 7 . 1 1 597 597 GLN N N 597 120.346 120.346 123.232 -2.886 18694 3022 1 7 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.081 -0.263 18694 3023 1 7 . 1 1 597 597 GLN C C 597 178.079 178.079 177.683 0.396 18694 3024 1 7 . 1 1 597 597 GLN CA C 597 58.754 58.754 58.977 -0.223 18694 3025 1 7 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.692 -0.680 18694 3026 1 7 . 1 1 597 597 GLN H H 597 8.929 8.929 8.907 0.022 18694 3027 1 7 . 1 1 598 598 ASP N N 598 117.842 117.842 120.111 -2.269 18694 3028 1 7 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.421 -0.081 18694 3029 1 7 . 1 1 598 598 ASP C C 598 178.494 178.494 178.661 -0.167 18694 3030 1 7 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.422 -0.529 18694 3031 1 7 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.683 -0.149 18694 3032 1 7 . 1 1 598 598 ASP H H 598 8.382 8.382 7.831 0.551 18694 3033 1 7 . 1 1 599 599 LEU N N 599 123.174 123.174 120.004 3.170 18694 3034 1 7 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.018 0.225 18694 3035 1 7 . 1 1 599 599 LEU C C 599 179.129 179.129 178.346 0.783 18694 3036 1 7 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.148 0.295 18694 3037 1 7 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.852 -0.218 18694 3038 1 7 . 1 1 599 599 LEU H H 599 7.671 7.671 8.172 -0.501 18694 3039 1 7 . 1 1 600 600 ARG N N 600 118.132 118.132 117.681 0.451 18694 3040 1 7 . 1 1 600 600 ARG HA H 600 4.322 4.322 3.984 0.338 18694 3041 1 7 . 1 1 600 600 ARG C C 600 179.103 179.103 178.827 0.276 18694 3042 1 7 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.798 0.598 18694 3043 1 7 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.065 0.455 18694 3044 1 7 . 1 1 600 600 ARG H H 600 7.768 7.768 7.813 -0.045 18694 3045 1 7 . 1 1 601 601 SER N N 601 112.865 112.865 115.308 -2.443 18694 3046 1 7 . 1 1 601 601 SER HA H 601 4.134 4.134 4.177 -0.043 18694 3047 1 7 . 1 1 601 601 SER C C 601 177.665 177.665 176.630 1.035 18694 3048 1 7 . 1 1 601 601 SER CA C 601 61.534 61.534 61.735 -0.201 18694 3049 1 7 . 1 1 601 601 SER CB C 601 62.758 62.758 63.185 -0.427 18694 3050 1 7 . 1 1 601 601 SER H H 601 8.501 8.501 8.034 0.467 18694 3051 1 7 . 1 1 602 602 HIS N N 602 121.543 121.543 123.958 -2.415 18694 3052 1 7 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.317 0.176 18694 3053 1 7 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.273 -1.364 18694 3054 1 7 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.053 -1.964 18694 3055 1 7 . 1 1 602 602 HIS H H 602 8.098 8.098 8.480 -0.382 18694 3056 1 7 . 1 1 603 603 LEU N N 603 122.394 122.394 118.637 3.757 18694 3057 1 7 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.969 0.059 18694 3058 1 7 . 1 1 603 603 LEU C C 603 179.275 179.275 178.966 0.309 18694 3059 1 7 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.753 0.344 18694 3060 1 7 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.634 -1.412 18694 3061 1 7 . 1 1 603 603 LEU H H 603 8.293 8.293 7.857 0.436 18694 3062 1 7 . 1 1 604 604 VAL N N 604 120.325 120.325 119.288 1.037 18694 3063 1 7 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.575 -0.147 18694 3064 1 7 . 1 1 604 604 VAL C C 604 178.026 178.026 178.137 -0.111 18694 3065 1 7 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.894 0.998 18694 3066 1 7 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.373 0.230 18694 3067 1 7 . 1 1 604 604 VAL H H 604 8.409 8.409 7.829 0.580 18694 3068 1 7 . 1 1 605 605 HIS N N 605 116.275 116.275 118.226 -1.951 18694 3069 1 7 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.226 0.026 18694 3070 1 7 . 1 1 605 605 HIS CA C 605 59.091 59.091 61.002 -1.911 18694 3071 1 7 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.298 -1.418 18694 3072 1 7 . 1 1 605 605 HIS H H 605 7.908 7.908 7.861 0.047 18694 3073 1 7 . 1 1 606 606 LYS N N 606 119.506 119.506 120.293 -0.787 18694 3074 1 7 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.971 0.302 18694 3075 1 7 . 1 1 606 606 LYS C C 606 178.947 178.947 178.879 0.068 18694 3076 1 7 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.788 -0.984 18694 3077 1 7 . 1 1 606 606 LYS H H 606 8.092 8.092 7.596 0.496 18694 3078 1 7 . 1 1 607 607 LEU N N 607 121.321 121.321 120.613 0.708 18694 3079 1 7 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.033 -0.075 18694 3080 1 7 . 1 1 607 607 LEU C C 607 177.899 177.899 178.551 -0.652 18694 3081 1 7 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.870 0.956 18694 3082 1 7 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.091 0.432 18694 3083 1 7 . 1 1 607 607 LEU H H 607 7.994 7.994 7.463 0.531 18694 3084 1 7 . 1 1 608 608 VAL N N 608 118.191 118.191 118.585 -0.394 18694 3085 1 7 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.591 -0.244 18694 3086 1 7 . 1 1 608 608 VAL C C 608 177.033 177.033 178.108 -1.075 18694 3087 1 7 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.981 0.962 18694 3088 1 7 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.611 0.041 18694 3089 1 7 . 1 1 608 608 VAL H H 608 8.036 8.036 7.735 0.301 18694 3090 1 7 . 1 1 609 609 GLN N N 609 116.772 116.772 119.858 -3.086 18694 3091 1 7 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.042 -0.154 18694 3092 1 7 . 1 1 609 609 GLN C C 609 176.992 176.992 177.644 -0.652 18694 3093 1 7 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.351 -0.243 18694 3094 1 7 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.603 0.550 18694 3095 1 7 . 1 1 609 609 GLN H H 609 8.108 8.108 8.497 -0.389 18694 3096 1 7 . 1 1 610 610 ALA N N 610 119.316 119.316 120.624 -1.308 18694 3097 1 7 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.179 -0.146 18694 3098 1 7 . 1 1 610 610 ALA C C 610 178.498 178.498 179.414 -0.916 18694 3099 1 7 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.490 -0.712 18694 3100 1 7 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.638 0.754 18694 3101 1 7 . 1 1 610 610 ALA H H 610 7.756 7.756 7.925 -0.169 18694 3102 1 7 . 1 1 611 611 ILE N N 611 115.839 115.839 116.154 -0.315 18694 3103 1 7 . 1 1 611 611 ILE HA H 611 3.675 3.675 3.971 -0.296 18694 3104 1 7 . 1 1 611 611 ILE C C 611 174.299 174.299 176.568 -2.269 18694 3105 1 7 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.754 -0.029 18694 3106 1 7 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.880 0.426 18694 3107 1 7 . 1 1 611 611 ILE H H 611 7.498 7.498 7.283 0.215 18694 3108 1 7 . 1 1 612 612 PHE N N 612 116.531 116.531 119.070 -2.539 18694 3109 1 7 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.943 0.153 18694 3110 1 7 . 1 1 612 612 PHE C C 612 171.610 171.610 173.254 -1.644 18694 3111 1 7 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.745 -3.029 18694 3112 1 7 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.050 -1.368 18694 3113 1 7 . 1 1 612 612 PHE H H 612 8.235 8.235 7.774 0.461 18694 3114 1 7 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.942 -0.369 18694 3115 1 7 . 1 1 613 613 PRO C C 613 178.269 178.269 176.593 1.676 18694 3116 1 7 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.232 1.546 18694 3117 1 7 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.783 0.661 18694 3118 1 7 . 1 1 614 614 THR N N 614 109.561 109.561 112.977 -3.416 18694 3119 1 7 . 1 1 614 614 THR HA H 614 4.470 4.470 4.344 0.126 18694 3120 1 7 . 1 1 614 614 THR C C 614 172.048 172.048 172.491 -0.443 18694 3121 1 7 . 1 1 614 614 THR CA C 614 58.106 58.106 58.669 -0.563 18694 3122 1 7 . 1 1 614 614 THR CB C 614 69.549 69.549 68.416 1.133 18694 3123 1 7 . 1 1 614 614 THR H H 614 8.025 8.025 7.306 0.719 18694 3124 1 7 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.490 -0.500 18694 3125 1 7 . 1 1 615 615 PRO C C 615 176.462 176.462 175.964 0.498 18694 3126 1 7 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.273 0.420 18694 3127 1 7 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.718 0.584 18694 3128 1 7 . 1 1 616 616 ASP N N 616 122.743 122.743 124.037 -1.294 18694 3129 1 7 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.686 0.067 18694 3130 1 7 . 1 1 616 616 ASP C C 616 174.226 174.226 176.932 -2.706 18694 3131 1 7 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.773 0.085 18694 3132 1 7 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.865 -2.935 18694 3133 1 7 . 1 1 616 616 ASP H H 616 8.145 8.145 7.756 0.389 18694 3134 1 7 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.214 -0.104 18694 3135 1 7 . 1 1 617 617 PRO C C 617 178.885 178.885 177.075 1.810 18694 3136 1 7 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.889 1.125 18694 3137 1 7 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.033 -0.099 18694 3138 1 7 . 1 1 618 618 ALA N N 618 118.548 118.548 119.552 -1.004 18694 3139 1 7 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.307 -0.224 18694 3140 1 7 . 1 1 618 618 ALA C C 618 180.518 180.518 180.095 0.423 18694 3141 1 7 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.880 0.842 18694 3142 1 7 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.529 -0.338 18694 3143 1 7 . 1 1 618 618 ALA H H 618 8.093 8.093 8.171 -0.078 18694 3144 1 7 . 1 1 619 619 ALA N N 619 122.623 122.623 122.714 -0.091 18694 3145 1 7 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.140 0.185 18694 3146 1 7 . 1 1 619 619 ALA C C 619 179.318 179.318 179.952 -0.634 18694 3147 1 7 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.753 -0.068 18694 3148 1 7 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.551 0.104 18694 3149 1 7 . 1 1 619 619 ALA H H 619 8.039 8.039 8.304 -0.265 18694 3150 1 7 . 1 1 620 620 LEU N N 620 114.041 114.041 116.228 -2.187 18694 3151 1 7 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.304 -0.258 18694 3152 1 7 . 1 1 620 620 LEU C C 620 178.288 178.288 177.476 0.812 18694 3153 1 7 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.697 0.443 18694 3154 1 7 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.602 0.545 18694 3155 1 7 . 1 1 620 620 LEU H H 620 7.606 7.606 8.367 -0.761 18694 3156 1 7 . 1 1 621 621 LYS N N 621 115.255 115.255 116.744 -1.489 18694 3157 1 7 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.438 -0.101 18694 3158 1 7 . 1 1 621 621 LYS C C 621 175.867 175.867 175.861 0.006 18694 3159 1 7 . 1 1 621 621 LYS CA C 621 55.453 55.453 54.817 0.636 18694 3160 1 7 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.515 0.366 18694 3161 1 7 . 1 1 621 621 LYS H H 621 7.272 7.272 7.453 -0.181 18694 3162 1 7 . 1 1 622 622 ASP N N 622 123.382 123.382 120.486 2.896 18694 3163 1 7 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.704 -0.211 18694 3164 1 7 . 1 1 622 622 ASP C C 622 178.117 178.117 176.846 1.271 18694 3165 1 7 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.054 0.829 18694 3166 1 7 . 1 1 622 622 ASP CB C 622 43.987 43.987 43.018 0.969 18694 3167 1 7 . 1 1 622 622 ASP H H 622 7.454 7.454 7.595 -0.141 18694 3168 1 7 . 1 1 623 623 ARG N N 623 130.356 130.356 126.296 4.060 18694 3169 1 7 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.209 -0.122 18694 3170 1 7 . 1 1 623 623 ARG C C 623 178.321 178.321 178.229 0.092 18694 3171 1 7 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.662 0.127 18694 3172 1 7 . 1 1 623 623 ARG CB C 623 29.511 29.511 30.125 -0.614 18694 3173 1 7 . 1 1 623 623 ARG H H 623 9.107 9.107 8.754 0.353 18694 3174 1 7 . 1 1 624 624 ARG N N 624 119.125 119.125 119.768 -0.643 18694 3175 1 7 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.055 -0.221 18694 3176 1 7 . 1 1 624 624 ARG C C 624 178.521 178.521 178.395 0.126 18694 3177 1 7 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.816 -0.137 18694 3178 1 7 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.803 -1.704 18694 3179 1 7 . 1 1 624 624 ARG H H 624 9.582 9.582 7.860 1.722 18694 3180 1 7 . 1 1 625 625 MET N N 625 120.202 120.202 118.347 1.855 18694 3181 1 7 . 1 1 625 625 MET HA H 625 4.527 4.527 4.133 0.394 18694 3182 1 7 . 1 1 625 625 MET C C 625 178.749 178.749 177.683 1.066 18694 3183 1 7 . 1 1 625 625 MET CA C 625 56.796 56.796 59.145 -2.349 18694 3184 1 7 . 1 1 625 625 MET CB C 625 30.890 30.890 32.429 -1.539 18694 3185 1 7 . 1 1 625 625 MET H H 625 7.953 7.953 8.114 -0.161 18694 3186 1 7 . 1 1 626 626 GLU N N 626 117.897 117.897 118.327 -0.430 18694 3187 1 7 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.935 0.125 18694 3188 1 7 . 1 1 626 626 GLU C C 626 179.640 179.640 178.810 0.830 18694 3189 1 7 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.723 -0.743 18694 3190 1 7 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.858 -0.326 18694 3191 1 7 . 1 1 626 626 GLU H H 626 7.431 7.431 7.858 -0.427 18694 3192 1 7 . 1 1 627 627 ASN N N 627 117.950 117.950 117.611 0.339 18694 3193 1 7 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.472 0.017 18694 3194 1 7 . 1 1 627 627 ASN C C 627 177.540 177.540 177.803 -0.263 18694 3195 1 7 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.906 -0.108 18694 3196 1 7 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.269 -0.765 18694 3197 1 7 . 1 1 627 627 ASN H H 627 7.442 7.442 7.673 -0.231 18694 3198 1 7 . 1 1 628 628 LEU N N 628 124.396 124.396 119.119 5.277 18694 3199 1 7 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.243 -0.054 18694 3200 1 7 . 1 1 628 628 LEU C C 628 177.838 177.838 178.063 -0.225 18694 3201 1 7 . 1 1 628 628 LEU CA C 628 59.342 59.342 57.959 1.383 18694 3202 1 7 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.427 0.274 18694 3203 1 7 . 1 1 628 628 LEU H H 628 7.873 7.873 7.416 0.457 18694 3204 1 7 . 1 1 629 629 VAL N N 629 120.503 120.503 120.182 0.321 18694 3205 1 7 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.505 -0.022 18694 3206 1 7 . 1 1 629 629 VAL C C 629 177.552 177.552 178.181 -0.629 18694 3207 1 7 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.732 0.493 18694 3208 1 7 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.354 0.333 18694 3209 1 7 . 1 1 629 629 VAL H H 629 8.246 8.246 7.597 0.649 18694 3210 1 7 . 1 1 630 630 ALA N N 630 120.687 120.687 122.500 -1.813 18694 3211 1 7 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.005 0.027 18694 3212 1 7 . 1 1 630 630 ALA C C 630 180.849 180.849 179.256 1.593 18694 3213 1 7 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.165 0.249 18694 3214 1 7 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.070 0.022 18694 3215 1 7 . 1 1 630 630 ALA H H 630 8.159 8.159 8.478 -0.319 18694 3216 1 7 . 1 1 631 631 TYR N N 631 121.083 121.083 120.172 0.911 18694 3217 1 7 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.048 0.191 18694 3218 1 7 . 1 1 631 631 TYR C C 631 177.591 177.591 177.139 0.452 18694 3219 1 7 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.800 0.511 18694 3220 1 7 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.232 -0.013 18694 3221 1 7 . 1 1 631 631 TYR H H 631 8.102 8.102 8.019 0.083 18694 3222 1 7 . 1 1 632 632 ALA N N 632 122.444 122.444 121.293 1.151 18694 3223 1 7 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.806 -0.124 18694 3224 1 7 . 1 1 632 632 ALA C C 632 179.014 179.014 179.582 -0.568 18694 3225 1 7 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.287 0.055 18694 3226 1 7 . 1 1 632 632 ALA CB C 632 19.824 19.824 17.893 1.931 18694 3227 1 7 . 1 1 632 632 ALA H H 632 8.292 8.292 7.829 0.463 18694 3228 1 7 . 1 1 633 633 LYS N N 633 115.912 115.912 118.218 -2.306 18694 3229 1 7 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.929 0.081 18694 3230 1 7 . 1 1 633 633 LYS C C 633 180.004 180.004 179.103 0.901 18694 3231 1 7 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.384 0.320 18694 3232 1 7 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.965 0.702 18694 3233 1 7 . 1 1 633 633 LYS H H 633 8.548 8.548 7.677 0.871 18694 3234 1 7 . 1 1 634 634 LYS N N 634 123.870 123.870 120.258 3.612 18694 3235 1 7 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.889 0.123 18694 3236 1 7 . 1 1 634 634 LYS C C 634 178.603 178.603 178.640 -0.037 18694 3237 1 7 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.848 -0.746 18694 3238 1 7 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.141 -0.352 18694 3239 1 7 . 1 1 634 634 LYS H H 634 7.943 7.943 7.695 0.248 18694 3240 1 7 . 1 1 635 635 VAL N N 635 119.215 119.215 119.225 -0.010 18694 3241 1 7 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.518 0.158 18694 3242 1 7 . 1 1 635 635 VAL C C 635 178.574 178.574 177.661 0.913 18694 3243 1 7 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.541 -0.441 18694 3244 1 7 . 1 1 635 635 VAL CB C 635 31.611 31.611 30.968 0.643 18694 3245 1 7 . 1 1 635 635 VAL H H 635 8.165 8.165 8.032 0.133 18694 3246 1 7 . 1 1 636 636 GLU N N 636 120.094 120.094 120.208 -0.114 18694 3247 1 7 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.096 -0.234 18694 3248 1 7 . 1 1 636 636 GLU C C 636 178.666 178.666 179.326 -0.660 18694 3249 1 7 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.469 2.220 18694 3250 1 7 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.475 0.244 18694 3251 1 7 . 1 1 636 636 GLU H H 636 8.331 8.331 8.542 -0.211 18694 3252 1 7 . 1 1 637 637 GLY N N 637 106.839 106.839 108.215 -1.376 18694 3253 1 7 . 1 1 637 637 GLY C C 637 176.614 176.614 176.032 0.582 18694 3254 1 7 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.730 0.607 18694 3255 1 7 . 1 1 637 637 GLY H H 637 8.145 8.145 8.279 -0.134 18694 3256 1 7 . 1 1 638 638 ASP N N 638 122.731 122.731 122.772 -0.041 18694 3257 1 7 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.406 0.137 18694 3258 1 7 . 1 1 638 638 ASP C C 638 180.109 180.109 178.705 1.404 18694 3259 1 7 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.712 0.182 18694 3260 1 7 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.121 -1.033 18694 3261 1 7 . 1 1 638 638 ASP H H 638 8.338 8.338 8.088 0.250 18694 3262 1 7 . 1 1 639 639 MET N N 639 121.055 121.055 118.613 2.442 18694 3263 1 7 . 1 1 639 639 MET HA H 639 4.389 4.389 4.141 0.248 18694 3264 1 7 . 1 1 639 639 MET C C 639 177.737 177.737 178.271 -0.534 18694 3265 1 7 . 1 1 639 639 MET CA C 639 58.675 58.675 57.485 1.190 18694 3266 1 7 . 1 1 639 639 MET CB C 639 32.530 32.530 31.638 0.892 18694 3267 1 7 . 1 1 639 639 MET H H 639 8.193 8.193 8.651 -0.458 18694 3268 1 7 . 1 1 640 640 TYR N N 640 121.235 121.235 119.522 1.713 18694 3269 1 7 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.659 0.639 18694 3270 1 7 . 1 1 640 640 TYR C C 640 178.311 178.311 177.760 0.551 18694 3271 1 7 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.846 0.061 18694 3272 1 7 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.949 1.001 18694 3273 1 7 . 1 1 640 640 TYR H H 640 9.328 9.328 8.072 1.256 18694 3274 1 7 . 1 1 641 641 GLU N N 641 115.098 115.098 117.450 -2.352 18694 3275 1 7 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.972 0.394 18694 3276 1 7 . 1 1 641 641 GLU C C 641 178.006 178.006 178.456 -0.450 18694 3277 1 7 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.835 -1.389 18694 3278 1 7 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.142 0.560 18694 3279 1 7 . 1 1 641 641 GLU H H 641 8.079 8.079 7.666 0.413 18694 3280 1 7 . 1 1 642 642 SER N N 642 112.869 112.869 115.016 -2.147 18694 3281 1 7 . 1 1 642 642 SER HA H 642 4.394 4.394 4.223 0.171 18694 3282 1 7 . 1 1 642 642 SER C C 642 175.251 175.251 176.553 -1.302 18694 3283 1 7 . 1 1 642 642 SER CA C 642 60.175 60.175 60.454 -0.279 18694 3284 1 7 . 1 1 642 642 SER CB C 642 64.388 64.388 63.289 1.099 18694 3285 1 7 . 1 1 642 642 SER H H 642 7.968 7.968 7.562 0.406 18694 3286 1 7 . 1 1 643 643 ALA N N 643 123.763 123.763 123.804 -0.041 18694 3287 1 7 . 1 1 643 643 ALA HA H 643 4.227 4.227 3.997 0.230 18694 3288 1 7 . 1 1 643 643 ALA C C 643 177.897 177.897 176.454 1.443 18694 3289 1 7 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.652 -0.053 18694 3290 1 7 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.582 3.110 18694 3291 1 7 . 1 1 643 643 ALA H H 643 8.096 8.096 8.237 -0.141 18694 3292 1 7 . 1 1 644 644 ASN N N 644 117.176 117.176 115.648 1.528 18694 3293 1 7 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.215 0.895 18694 3294 1 7 . 1 1 644 644 ASN C C 644 173.978 173.978 174.127 -0.149 18694 3295 1 7 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.632 -0.278 18694 3296 1 7 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.605 1.615 18694 3297 1 7 . 1 1 644 644 ASN H H 644 9.102 9.102 8.041 1.061 18694 3298 1 7 . 1 1 645 645 SER N N 645 111.225 111.225 111.976 -0.751 18694 3299 1 7 . 1 1 645 645 SER HA H 645 3.632 3.632 4.576 -0.944 18694 3300 1 7 . 1 1 645 645 SER C C 645 171.965 171.965 174.025 -2.060 18694 3301 1 7 . 1 1 645 645 SER CA C 645 56.522 56.522 57.209 -0.687 18694 3302 1 7 . 1 1 645 645 SER CB C 645 64.968 64.968 66.055 -1.087 18694 3303 1 7 . 1 1 645 645 SER H H 645 6.865 6.865 7.254 -0.389 18694 3304 1 7 . 1 1 646 646 ARG N N 646 121.944 121.944 124.021 -2.077 18694 3305 1 7 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.201 -1.015 18694 3306 1 7 . 1 1 646 646 ARG C C 646 177.709 177.709 178.279 -0.570 18694 3307 1 7 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.952 -0.921 18694 3308 1 7 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.900 0.353 18694 3309 1 7 . 1 1 646 646 ARG H H 646 8.685 8.685 8.920 -0.235 18694 3310 1 7 . 1 1 647 647 ASP N N 647 116.817 116.817 118.752 -1.935 18694 3311 1 7 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.500 -0.205 18694 3312 1 7 . 1 1 647 647 ASP C C 647 178.860 178.860 178.526 0.334 18694 3313 1 7 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.678 -0.553 18694 3314 1 7 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.749 -0.460 18694 3315 1 7 . 1 1 647 647 ASP H H 647 8.119 8.119 8.562 -0.443 18694 3316 1 7 . 1 1 648 648 GLU N N 648 121.231 121.231 120.506 0.725 18694 3317 1 7 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.126 -0.136 18694 3318 1 7 . 1 1 648 648 GLU C C 648 177.064 177.064 178.648 -1.584 18694 3319 1 7 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.449 -0.187 18694 3320 1 7 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.049 1.089 18694 3321 1 7 . 1 1 648 648 GLU H H 648 7.799 7.799 8.639 -0.840 18694 3322 1 7 . 1 1 649 649 TYR N N 649 122.045 122.045 120.784 1.261 18694 3323 1 7 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.149 -0.150 18694 3324 1 7 . 1 1 649 649 TYR C C 649 176.140 176.140 177.933 -1.793 18694 3325 1 7 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.907 0.762 18694 3326 1 7 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.153 0.804 18694 3327 1 7 . 1 1 649 649 TYR H H 649 7.338 7.338 8.001 -0.663 18694 3328 1 7 . 1 1 650 650 TYR N N 650 115.581 115.581 117.075 -1.494 18694 3329 1 7 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.971 0.028 18694 3330 1 7 . 1 1 650 650 TYR C C 650 179.058 179.058 178.421 0.637 18694 3331 1 7 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.930 -2.437 18694 3332 1 7 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.817 -0.175 18694 3333 1 7 . 1 1 650 650 TYR H H 650 8.072 8.072 7.985 0.087 18694 3334 1 7 . 1 1 651 651 HIS N N 651 118.435 118.435 119.606 -1.171 18694 3335 1 7 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.312 0.001 18694 3336 1 7 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.384 -1.081 18694 3337 1 7 . 1 1 651 651 HIS CB C 651 28.256 28.256 29.990 -1.734 18694 3338 1 7 . 1 1 651 651 HIS H H 651 8.311 8.311 8.055 0.256 18694 3339 1 7 . 1 1 652 652 LEU N N 652 121.135 121.135 120.153 0.982 18694 3340 1 7 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.988 0.005 18694 3341 1 7 . 1 1 652 652 LEU C C 652 180.822 180.822 178.722 2.100 18694 3342 1 7 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.405 -0.512 18694 3343 1 7 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.764 0.273 18694 3344 1 7 . 1 1 652 652 LEU H H 652 9.141 9.141 8.412 0.729 18694 3345 1 7 . 1 1 653 653 LEU N N 653 120.947 120.947 119.041 1.906 18694 3346 1 7 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.915 -0.082 18694 3347 1 7 . 1 1 653 653 LEU C C 653 178.085 178.085 178.898 -0.813 18694 3348 1 7 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.316 0.022 18694 3349 1 7 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.402 0.484 18694 3350 1 7 . 1 1 653 653 LEU H H 653 7.769 7.769 7.623 0.146 18694 3351 1 7 . 1 1 654 654 ALA N N 654 120.863 120.863 121.149 -0.286 18694 3352 1 7 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.942 -0.058 18694 3353 1 7 . 1 1 654 654 ALA C C 654 180.274 180.274 179.627 0.647 18694 3354 1 7 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.289 0.067 18694 3355 1 7 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.916 0.274 18694 3356 1 7 . 1 1 654 654 ALA H H 654 8.111 8.111 8.175 -0.064 18694 3357 1 7 . 1 1 655 655 GLU N N 655 118.047 118.047 118.781 -0.734 18694 3358 1 7 . 1 1 655 655 GLU HA H 655 4.018 4.018 4.092 -0.074 18694 3359 1 7 . 1 1 655 655 GLU C C 655 178.311 178.311 179.082 -0.771 18694 3360 1 7 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.682 -0.603 18694 3361 1 7 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.705 -0.291 18694 3362 1 7 . 1 1 655 655 GLU H H 655 8.363 8.363 8.320 0.043 18694 3363 1 7 . 1 1 656 656 LYS N N 656 120.122 120.122 118.812 1.310 18694 3364 1 7 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.154 -0.104 18694 3365 1 7 . 1 1 656 656 LYS C C 656 178.388 178.388 179.417 -1.029 18694 3366 1 7 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.416 -0.287 18694 3367 1 7 . 1 1 656 656 LYS CB C 656 31.410 31.410 31.910 -0.500 18694 3368 1 7 . 1 1 656 656 LYS H H 656 7.852 7.852 7.841 0.011 18694 3369 1 7 . 1 1 657 657 ILE N N 657 118.294 118.294 120.223 -1.929 18694 3370 1 7 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.725 -0.334 18694 3371 1 7 . 1 1 657 657 ILE C C 657 177.061 177.061 177.962 -0.901 18694 3372 1 7 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.543 0.983 18694 3373 1 7 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.903 -0.003 18694 3374 1 7 . 1 1 657 657 ILE H H 657 8.199 8.199 8.242 -0.043 18694 3375 1 7 . 1 1 658 658 TYR N N 658 119.430 119.430 120.818 -1.388 18694 3376 1 7 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.401 -0.098 18694 3377 1 7 . 1 1 658 658 TYR C C 658 177.869 177.869 177.718 0.151 18694 3378 1 7 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.708 0.161 18694 3379 1 7 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.301 -0.096 18694 3380 1 7 . 1 1 658 658 TYR H H 658 8.066 8.066 7.937 0.129 18694 3381 1 7 . 1 1 659 659 LYS N N 659 118.321 118.321 119.241 -0.920 18694 3382 1 7 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.955 -0.141 18694 3383 1 7 . 1 1 659 659 LYS C C 659 180.019 180.019 179.167 0.852 18694 3384 1 7 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.023 0.837 18694 3385 1 7 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.752 0.939 18694 3386 1 7 . 1 1 659 659 LYS H H 659 8.309 8.309 8.027 0.282 18694 3387 1 7 . 1 1 660 660 ILE N N 660 121.103 121.103 120.417 0.686 18694 3388 1 7 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.668 -0.082 18694 3389 1 7 . 1 1 660 660 ILE C C 660 177.404 177.404 177.912 -0.508 18694 3390 1 7 . 1 1 660 660 ILE CA C 660 66.076 66.076 64.990 1.086 18694 3391 1 7 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.870 0.514 18694 3392 1 7 . 1 1 660 660 ILE H H 660 8.546 8.546 7.982 0.564 18694 3393 1 7 . 1 1 661 661 GLN N N 661 118.093 118.093 118.669 -0.576 18694 3394 1 7 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.876 0.055 18694 3395 1 7 . 1 1 661 661 GLN C C 661 179.682 179.682 178.163 1.519 18694 3396 1 7 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.071 0.797 18694 3397 1 7 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.376 -0.315 18694 3398 1 7 . 1 1 661 661 GLN H H 661 8.554 8.554 8.008 0.546 18694 3399 1 7 . 1 1 662 662 LYS N N 662 119.532 119.532 120.177 -0.645 18694 3400 1 7 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.804 0.157 18694 3401 1 7 . 1 1 662 662 LYS C C 662 178.745 178.745 178.792 -0.047 18694 3402 1 7 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.469 -0.948 18694 3403 1 7 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.175 -0.553 18694 3404 1 7 . 1 1 662 662 LYS H H 662 8.110 8.110 8.236 -0.126 18694 3405 1 7 . 1 1 663 663 GLU N N 663 121.313 121.313 119.678 1.635 18694 3406 1 7 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.044 -0.023 18694 3407 1 7 . 1 1 663 663 GLU C C 663 179.429 179.429 179.267 0.162 18694 3408 1 7 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.185 0.308 18694 3409 1 7 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.231 -0.067 18694 3410 1 7 . 1 1 663 663 GLU H H 663 8.011 8.011 7.902 0.109 18694 3411 1 7 . 1 1 664 664 LEU N N 664 119.460 119.460 119.686 -0.226 18694 3412 1 7 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.935 -0.017 18694 3413 1 7 . 1 1 664 664 LEU C C 664 178.785 178.785 178.996 -0.211 18694 3414 1 7 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.095 0.079 18694 3415 1 7 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.521 0.384 18694 3416 1 7 . 1 1 664 664 LEU H H 664 8.342 8.342 8.356 -0.014 18694 3417 1 7 . 1 1 665 665 GLU N N 665 118.822 118.822 119.781 -0.959 18694 3418 1 7 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.926 0.047 18694 3419 1 7 . 1 1 665 665 GLU C C 665 179.161 179.161 179.068 0.093 18694 3420 1 7 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.680 -0.865 18694 3421 1 7 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.466 -0.333 18694 3422 1 7 . 1 1 665 665 GLU H H 665 8.018 8.018 7.809 0.209 18694 3423 1 7 . 1 1 666 666 GLU N N 666 118.722 118.722 119.233 -0.511 18694 3424 1 7 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.001 -0.029 18694 3425 1 7 . 1 1 666 666 GLU C C 666 179.536 179.536 179.265 0.271 18694 3426 1 7 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.078 -0.168 18694 3427 1 7 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.564 -0.683 18694 3428 1 7 . 1 1 666 666 GLU H H 666 8.014 8.014 8.055 -0.041 18694 3429 1 7 . 1 1 667 667 LYS N N 667 119.177 119.177 118.840 0.337 18694 3430 1 7 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.041 0.100 18694 3431 1 7 . 1 1 667 667 LYS C C 667 179.425 179.425 179.164 0.261 18694 3432 1 7 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.282 -0.899 18694 3433 1 7 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.073 -0.068 18694 3434 1 7 . 1 1 667 667 LYS H H 667 8.056 8.056 8.430 -0.374 18694 3435 1 7 . 1 1 668 668 ARG N N 668 119.491 119.491 118.239 1.252 18694 3436 1 7 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.138 -0.179 18694 3437 1 7 . 1 1 668 668 ARG C C 668 178.260 178.260 178.303 -0.043 18694 3438 1 7 . 1 1 668 668 ARG CA C 668 58.964 58.964 57.730 1.234 18694 3439 1 7 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.997 0.214 18694 3440 1 7 . 1 1 668 668 ARG H H 668 8.218 8.218 7.818 0.400 18694 3441 1 7 . 1 1 669 669 ARG N N 669 117.972 117.972 117.545 0.427 18694 3442 1 7 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.231 -0.061 18694 3443 1 7 . 1 1 669 669 ARG C C 669 177.325 177.325 177.723 -0.398 18694 3444 1 7 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.183 -0.632 18694 3445 1 7 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.434 -0.325 18694 3446 1 7 . 1 1 669 669 ARG H H 669 7.793 7.793 7.822 -0.029 18694 3447 1 7 . 1 1 670 670 SER N N 670 114.336 114.336 112.051 2.285 18694 3448 1 7 . 1 1 670 670 SER HA H 670 4.410 4.410 4.503 -0.093 18694 3449 1 7 . 1 1 670 670 SER C C 670 174.266 174.266 173.232 1.034 18694 3450 1 7 . 1 1 670 670 SER CA C 670 58.946 58.946 57.879 1.067 18694 3451 1 7 . 1 1 670 670 SER CB C 670 63.814 63.814 63.589 0.225 18694 3452 1 7 . 1 1 670 670 SER H H 670 7.794 7.794 7.629 0.165 18694 3453 1 7 . 1 1 671 671 ARG N N 671 122.062 122.062 119.284 2.778 18694 3454 1 7 . 1 1 671 671 ARG HA H 671 4.347 4.347 3.989 0.358 18694 3455 1 7 . 1 1 671 671 ARG C C 671 175.272 175.272 175.031 0.241 18694 3456 1 7 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.937 -0.816 18694 3457 1 7 . 1 1 671 671 ARG CB C 671 30.507 30.507 27.478 3.029 18694 3458 1 7 . 1 1 671 671 ARG H H 671 7.740 7.740 7.400 0.340 18694 3459 1 8 . 1 1 587 587 VAL N N 587 119.752 119.752 119.800 -0.048 18694 3460 1 8 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.423 -0.325 18694 3461 1 8 . 1 1 587 587 VAL C C 587 176.340 176.340 175.651 0.689 18694 3462 1 8 . 1 1 587 587 VAL CA C 587 62.229 62.229 59.932 2.297 18694 3463 1 8 . 1 1 587 587 VAL CB C 587 32.782 32.782 34.982 -2.200 18694 3464 1 8 . 1 1 587 587 VAL H H 587 8.027 8.027 7.709 0.318 18694 3465 1 8 . 1 1 588 588 ARG N N 588 125.669 125.669 121.699 3.970 18694 3466 1 8 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.145 0.177 18694 3467 1 8 . 1 1 588 588 ARG C C 588 176.109 176.109 175.906 0.203 18694 3468 1 8 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.318 -0.151 18694 3469 1 8 . 1 1 588 588 ARG CB C 588 30.651 30.651 29.763 0.888 18694 3470 1 8 . 1 1 588 588 ARG H H 588 8.528 8.528 8.422 0.106 18694 3471 1 8 . 1 1 589 589 LYS N N 589 121.018 121.018 121.212 -0.194 18694 3472 1 8 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.854 0.332 18694 3473 1 8 . 1 1 589 589 LYS C C 589 177.598 177.598 176.079 1.519 18694 3474 1 8 . 1 1 589 589 LYS CA C 589 54.923 54.923 56.699 -1.776 18694 3475 1 8 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.067 0.522 18694 3476 1 8 . 1 1 589 589 LYS H H 589 8.116 8.116 7.603 0.513 18694 3477 1 8 . 1 1 590 590 GLY N N 590 112.531 112.531 112.844 -0.313 18694 3478 1 8 . 1 1 590 590 GLY C C 590 176.465 176.465 173.588 2.877 18694 3479 1 8 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.221 2.975 18694 3480 1 8 . 1 1 590 590 GLY H H 590 8.669 8.669 7.829 0.840 18694 3481 1 8 . 1 1 591 591 TRP N N 591 119.435 119.435 121.793 -2.358 18694 3482 1 8 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.481 0.024 18694 3483 1 8 . 1 1 591 591 TRP C C 591 178.177 178.177 175.238 2.939 18694 3484 1 8 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.530 0.598 18694 3485 1 8 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.248 -1.494 18694 3486 1 8 . 1 1 591 591 TRP H H 591 8.026 8.026 7.348 0.678 18694 3487 1 8 . 1 1 592 592 HIS N N 592 119.340 119.340 117.521 1.819 18694 3488 1 8 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.890 -1.389 18694 3489 1 8 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.017 -0.739 18694 3490 1 8 . 1 1 592 592 HIS CB C 592 28.484 28.484 29.974 -1.490 18694 3491 1 8 . 1 1 592 592 HIS H H 592 7.165 7.165 8.589 -1.424 18694 3492 1 8 . 1 1 593 593 GLU N N 593 116.536 116.536 119.180 -2.644 18694 3493 1 8 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.084 -0.104 18694 3494 1 8 . 1 1 593 593 GLU C C 593 176.675 176.675 176.726 -0.051 18694 3495 1 8 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.612 -0.504 18694 3496 1 8 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.046 0.134 18694 3497 1 8 . 1 1 593 593 GLU H H 593 7.726 7.726 8.492 -0.766 18694 3498 1 8 . 1 1 594 594 HIS N N 594 112.885 112.885 113.544 -0.659 18694 3499 1 8 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.749 0.201 18694 3500 1 8 . 1 1 594 594 HIS CA C 594 54.264 54.264 54.756 -0.492 18694 3501 1 8 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.754 0.428 18694 3502 1 8 . 1 1 594 594 HIS H H 594 7.530 7.530 8.572 -1.042 18694 3503 1 8 . 1 1 595 595 VAL N N 595 120.678 120.678 119.185 1.493 18694 3504 1 8 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.457 0.043 18694 3505 1 8 . 1 1 595 595 VAL C C 595 174.593 174.593 175.050 -0.457 18694 3506 1 8 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.762 1.281 18694 3507 1 8 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.603 -2.241 18694 3508 1 8 . 1 1 595 595 VAL H H 595 7.492 7.492 7.762 -0.270 18694 3509 1 8 . 1 1 596 596 THR N N 596 115.525 115.525 119.976 -4.451 18694 3510 1 8 . 1 1 596 596 THR HA H 596 4.494 4.494 4.591 -0.097 18694 3511 1 8 . 1 1 596 596 THR C C 596 175.419 175.419 175.386 0.033 18694 3512 1 8 . 1 1 596 596 THR CA C 596 60.001 60.001 61.058 -1.057 18694 3513 1 8 . 1 1 596 596 THR CB C 596 71.072 71.072 71.028 0.044 18694 3514 1 8 . 1 1 596 596 THR H H 596 7.583 7.583 8.426 -0.843 18694 3515 1 8 . 1 1 597 597 GLN N N 597 120.346 120.346 123.443 -3.097 18694 3516 1 8 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.143 -0.325 18694 3517 1 8 . 1 1 597 597 GLN C C 597 178.079 178.079 177.639 0.440 18694 3518 1 8 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.076 -0.322 18694 3519 1 8 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.686 -0.674 18694 3520 1 8 . 1 1 597 597 GLN H H 597 8.929 8.929 8.898 0.031 18694 3521 1 8 . 1 1 598 598 ASP N N 598 117.842 117.842 119.987 -2.145 18694 3522 1 8 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.411 -0.071 18694 3523 1 8 . 1 1 598 598 ASP C C 598 178.494 178.494 178.598 -0.104 18694 3524 1 8 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.434 -0.541 18694 3525 1 8 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.702 -0.168 18694 3526 1 8 . 1 1 598 598 ASP H H 598 8.382 8.382 7.790 0.592 18694 3527 1 8 . 1 1 599 599 LEU N N 599 123.174 123.174 120.073 3.101 18694 3528 1 8 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.035 0.208 18694 3529 1 8 . 1 1 599 599 LEU C C 599 179.129 179.129 178.239 0.890 18694 3530 1 8 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.999 0.444 18694 3531 1 8 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.743 -0.109 18694 3532 1 8 . 1 1 599 599 LEU H H 599 7.671 7.671 8.199 -0.528 18694 3533 1 8 . 1 1 600 600 ARG N N 600 118.132 118.132 118.089 0.043 18694 3534 1 8 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.050 0.272 18694 3535 1 8 . 1 1 600 600 ARG C C 600 179.103 179.103 178.803 0.300 18694 3536 1 8 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.772 0.624 18694 3537 1 8 . 1 1 600 600 ARG CB C 600 30.520 30.520 29.918 0.603 18694 3538 1 8 . 1 1 600 600 ARG H H 600 7.768 7.768 7.913 -0.145 18694 3539 1 8 . 1 1 601 601 SER N N 601 112.865 112.865 114.994 -2.129 18694 3540 1 8 . 1 1 601 601 SER HA H 601 4.134 4.134 4.216 -0.082 18694 3541 1 8 . 1 1 601 601 SER C C 601 177.665 177.665 176.585 1.080 18694 3542 1 8 . 1 1 601 601 SER CA C 601 61.534 61.534 61.699 -0.165 18694 3543 1 8 . 1 1 601 601 SER CB C 601 62.758 62.758 62.522 0.236 18694 3544 1 8 . 1 1 601 601 SER H H 601 8.501 8.501 7.695 0.806 18694 3545 1 8 . 1 1 602 602 HIS N N 602 121.543 121.543 123.758 -2.215 18694 3546 1 8 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.392 0.101 18694 3547 1 8 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.418 -1.509 18694 3548 1 8 . 1 1 602 602 HIS CB C 602 28.089 28.089 29.992 -1.903 18694 3549 1 8 . 1 1 602 602 HIS H H 602 8.098 8.098 8.342 -0.244 18694 3550 1 8 . 1 1 603 603 LEU N N 603 122.394 122.394 119.018 3.376 18694 3551 1 8 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.931 0.097 18694 3552 1 8 . 1 1 603 603 LEU C C 603 179.275 179.275 178.996 0.279 18694 3553 1 8 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.885 0.212 18694 3554 1 8 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.639 -1.417 18694 3555 1 8 . 1 1 603 603 LEU H H 603 8.293 8.293 8.398 -0.105 18694 3556 1 8 . 1 1 604 604 VAL N N 604 120.325 120.325 119.505 0.820 18694 3557 1 8 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.492 -0.064 18694 3558 1 8 . 1 1 604 604 VAL C C 604 178.026 178.026 177.940 0.086 18694 3559 1 8 . 1 1 604 604 VAL CA C 604 67.892 67.892 67.097 0.795 18694 3560 1 8 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.191 0.412 18694 3561 1 8 . 1 1 604 604 VAL H H 604 8.409 8.409 8.015 0.394 18694 3562 1 8 . 1 1 605 605 HIS N N 605 116.275 116.275 118.208 -1.933 18694 3563 1 8 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.203 0.049 18694 3564 1 8 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.277 -1.186 18694 3565 1 8 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.298 -1.418 18694 3566 1 8 . 1 1 605 605 HIS H H 605 7.908 7.908 7.804 0.104 18694 3567 1 8 . 1 1 606 606 LYS N N 606 119.506 119.506 120.190 -0.684 18694 3568 1 8 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.982 0.291 18694 3569 1 8 . 1 1 606 606 LYS C C 606 178.947 178.947 178.939 0.008 18694 3570 1 8 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.668 -0.864 18694 3571 1 8 . 1 1 606 606 LYS H H 606 8.092 8.092 7.507 0.585 18694 3572 1 8 . 1 1 607 607 LEU N N 607 121.321 121.321 121.363 -0.042 18694 3573 1 8 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.960 -0.002 18694 3574 1 8 . 1 1 607 607 LEU C C 607 177.899 177.899 178.403 -0.504 18694 3575 1 8 . 1 1 607 607 LEU CA C 607 58.826 58.826 58.006 0.820 18694 3576 1 8 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.049 0.474 18694 3577 1 8 . 1 1 607 607 LEU H H 607 7.994 7.994 7.635 0.359 18694 3578 1 8 . 1 1 608 608 VAL N N 608 118.191 118.191 118.650 -0.459 18694 3579 1 8 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.589 -0.242 18694 3580 1 8 . 1 1 608 608 VAL C C 608 177.033 177.033 178.333 -1.300 18694 3581 1 8 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.346 1.597 18694 3582 1 8 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.876 0.776 18694 3583 1 8 . 1 1 608 608 VAL H H 608 8.036 8.036 8.150 -0.114 18694 3584 1 8 . 1 1 609 609 GLN N N 609 116.772 116.772 119.989 -3.217 18694 3585 1 8 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.046 -0.158 18694 3586 1 8 . 1 1 609 609 GLN C C 609 176.992 176.992 177.344 -0.352 18694 3587 1 8 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.346 -0.238 18694 3588 1 8 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.484 0.669 18694 3589 1 8 . 1 1 609 609 GLN H H 609 8.108 8.108 8.524 -0.416 18694 3590 1 8 . 1 1 610 610 ALA N N 610 119.316 119.316 120.301 -0.985 18694 3591 1 8 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.205 -0.172 18694 3592 1 8 . 1 1 610 610 ALA C C 610 178.498 178.498 179.092 -0.594 18694 3593 1 8 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.455 -0.677 18694 3594 1 8 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.737 0.655 18694 3595 1 8 . 1 1 610 610 ALA H H 610 7.756 7.756 7.707 0.049 18694 3596 1 8 . 1 1 611 611 ILE N N 611 115.839 115.839 116.038 -0.199 18694 3597 1 8 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.045 -0.370 18694 3598 1 8 . 1 1 611 611 ILE C C 611 174.299 174.299 176.790 -2.491 18694 3599 1 8 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.815 -0.090 18694 3600 1 8 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.243 0.063 18694 3601 1 8 . 1 1 611 611 ILE H H 611 7.498 7.498 7.451 0.047 18694 3602 1 8 . 1 1 612 612 PHE N N 612 116.531 116.531 119.304 -2.773 18694 3603 1 8 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.969 0.127 18694 3604 1 8 . 1 1 612 612 PHE C C 612 171.610 171.610 173.525 -1.915 18694 3605 1 8 . 1 1 612 612 PHE CA C 612 51.716 51.716 55.163 -3.447 18694 3606 1 8 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.394 -1.712 18694 3607 1 8 . 1 1 612 612 PHE H H 612 8.235 8.235 8.170 0.065 18694 3608 1 8 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.521 0.052 18694 3609 1 8 . 1 1 613 613 PRO C C 613 178.269 178.269 176.549 1.720 18694 3610 1 8 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.738 1.040 18694 3611 1 8 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.980 0.464 18694 3612 1 8 . 1 1 614 614 THR N N 614 109.561 109.561 113.415 -3.854 18694 3613 1 8 . 1 1 614 614 THR HA H 614 4.470 4.470 4.306 0.164 18694 3614 1 8 . 1 1 614 614 THR C C 614 172.048 172.048 172.993 -0.945 18694 3615 1 8 . 1 1 614 614 THR CA C 614 58.106 58.106 59.588 -1.482 18694 3616 1 8 . 1 1 614 614 THR CB C 614 69.549 69.549 68.439 1.110 18694 3617 1 8 . 1 1 614 614 THR H H 614 8.025 8.025 7.500 0.525 18694 3618 1 8 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.618 -0.628 18694 3619 1 8 . 1 1 615 615 PRO C C 615 176.462 176.462 175.933 0.529 18694 3620 1 8 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.652 0.040 18694 3621 1 8 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.506 -0.204 18694 3622 1 8 . 1 1 616 616 ASP N N 616 122.743 122.743 125.227 -2.484 18694 3623 1 8 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.972 -0.219 18694 3624 1 8 . 1 1 616 616 ASP C C 616 174.226 174.226 175.922 -1.696 18694 3625 1 8 . 1 1 616 616 ASP CA C 616 51.858 51.858 50.671 1.187 18694 3626 1 8 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.966 -4.036 18694 3627 1 8 . 1 1 616 616 ASP H H 616 8.145 8.145 8.058 0.087 18694 3628 1 8 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.329 -0.219 18694 3629 1 8 . 1 1 617 617 PRO C C 617 178.885 178.885 176.711 2.174 18694 3630 1 8 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.804 1.211 18694 3631 1 8 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.045 -0.111 18694 3632 1 8 . 1 1 618 618 ALA N N 618 118.548 118.548 119.817 -1.269 18694 3633 1 8 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.340 -0.257 18694 3634 1 8 . 1 1 618 618 ALA C C 618 180.518 180.518 179.933 0.585 18694 3635 1 8 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.524 1.198 18694 3636 1 8 . 1 1 618 618 ALA CB C 618 18.191 18.191 19.049 -0.858 18694 3637 1 8 . 1 1 618 618 ALA H H 618 8.093 8.093 8.048 0.045 18694 3638 1 8 . 1 1 619 619 ALA N N 619 122.623 122.623 122.773 -0.150 18694 3639 1 8 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.051 0.274 18694 3640 1 8 . 1 1 619 619 ALA C C 619 179.318 179.318 179.852 -0.534 18694 3641 1 8 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.712 -0.028 18694 3642 1 8 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.293 0.363 18694 3643 1 8 . 1 1 619 619 ALA H H 619 8.039 8.039 8.938 -0.899 18694 3644 1 8 . 1 1 620 620 LEU N N 620 114.041 114.041 116.340 -2.299 18694 3645 1 8 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.204 -0.157 18694 3646 1 8 . 1 1 620 620 LEU C C 620 178.288 178.288 177.749 0.539 18694 3647 1 8 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.922 0.217 18694 3648 1 8 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.576 0.571 18694 3649 1 8 . 1 1 620 620 LEU H H 620 7.606 7.606 7.824 -0.218 18694 3650 1 8 . 1 1 621 621 LYS N N 621 115.255 115.255 116.762 -1.507 18694 3651 1 8 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.380 -0.043 18694 3652 1 8 . 1 1 621 621 LYS C C 621 175.867 175.867 175.565 0.302 18694 3653 1 8 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.441 0.012 18694 3654 1 8 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.864 0.017 18694 3655 1 8 . 1 1 621 621 LYS H H 621 7.272 7.272 7.504 -0.232 18694 3656 1 8 . 1 1 622 622 ASP N N 622 123.382 123.382 120.143 3.239 18694 3657 1 8 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.674 -0.181 18694 3658 1 8 . 1 1 622 622 ASP C C 622 178.117 178.117 176.996 1.121 18694 3659 1 8 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.777 1.107 18694 3660 1 8 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.793 1.194 18694 3661 1 8 . 1 1 622 622 ASP H H 622 7.454 7.454 7.561 -0.107 18694 3662 1 8 . 1 1 623 623 ARG N N 623 130.356 130.356 126.292 4.064 18694 3663 1 8 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.148 -0.061 18694 3664 1 8 . 1 1 623 623 ARG C C 623 178.321 178.321 178.305 0.016 18694 3665 1 8 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.869 -0.080 18694 3666 1 8 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.821 -0.310 18694 3667 1 8 . 1 1 623 623 ARG H H 623 9.107 9.107 8.761 0.346 18694 3668 1 8 . 1 1 624 624 ARG N N 624 119.125 119.125 119.630 -0.505 18694 3669 1 8 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.037 -0.203 18694 3670 1 8 . 1 1 624 624 ARG C C 624 178.521 178.521 178.349 0.172 18694 3671 1 8 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.762 -0.083 18694 3672 1 8 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.309 -1.210 18694 3673 1 8 . 1 1 624 624 ARG H H 624 9.582 9.582 7.660 1.922 18694 3674 1 8 . 1 1 625 625 MET N N 625 120.202 120.202 118.890 1.312 18694 3675 1 8 . 1 1 625 625 MET HA H 625 4.527 4.527 4.025 0.502 18694 3676 1 8 . 1 1 625 625 MET C C 625 178.749 178.749 177.687 1.062 18694 3677 1 8 . 1 1 625 625 MET CA C 625 56.796 56.796 59.173 -2.377 18694 3678 1 8 . 1 1 625 625 MET CB C 625 30.890 30.890 32.215 -1.325 18694 3679 1 8 . 1 1 625 625 MET H H 625 7.953 7.953 7.902 0.051 18694 3680 1 8 . 1 1 626 626 GLU N N 626 117.897 117.897 118.843 -0.946 18694 3681 1 8 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.873 0.187 18694 3682 1 8 . 1 1 626 626 GLU C C 626 179.640 179.640 179.036 0.604 18694 3683 1 8 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.700 -0.721 18694 3684 1 8 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.983 -0.451 18694 3685 1 8 . 1 1 626 626 GLU H H 626 7.431 7.431 7.751 -0.320 18694 3686 1 8 . 1 1 627 627 ASN N N 627 117.950 117.950 118.411 -0.461 18694 3687 1 8 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.413 0.076 18694 3688 1 8 . 1 1 627 627 ASN C C 627 177.540 177.540 177.974 -0.434 18694 3689 1 8 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.070 -0.272 18694 3690 1 8 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.554 -1.050 18694 3691 1 8 . 1 1 627 627 ASN H H 627 7.442 7.442 7.810 -0.368 18694 3692 1 8 . 1 1 628 628 LEU N N 628 124.396 124.396 119.657 4.739 18694 3693 1 8 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.217 -0.028 18694 3694 1 8 . 1 1 628 628 LEU C C 628 177.838 177.838 178.499 -0.661 18694 3695 1 8 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.312 1.030 18694 3696 1 8 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.471 0.230 18694 3697 1 8 . 1 1 628 628 LEU H H 628 7.873 7.873 7.431 0.442 18694 3698 1 8 . 1 1 629 629 VAL N N 629 120.503 120.503 120.575 -0.072 18694 3699 1 8 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.566 -0.083 18694 3700 1 8 . 1 1 629 629 VAL C C 629 177.552 177.552 178.067 -0.515 18694 3701 1 8 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.940 0.285 18694 3702 1 8 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.048 0.639 18694 3703 1 8 . 1 1 629 629 VAL H H 629 8.246 8.246 7.848 0.398 18694 3704 1 8 . 1 1 630 630 ALA N N 630 120.687 120.687 122.727 -2.040 18694 3705 1 8 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.003 0.029 18694 3706 1 8 . 1 1 630 630 ALA C C 630 180.849 180.849 179.439 1.410 18694 3707 1 8 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.137 0.277 18694 3708 1 8 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.136 -0.044 18694 3709 1 8 . 1 1 630 630 ALA H H 630 8.159 8.159 8.517 -0.358 18694 3710 1 8 . 1 1 631 631 TYR N N 631 121.083 121.083 119.988 1.095 18694 3711 1 8 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.061 0.178 18694 3712 1 8 . 1 1 631 631 TYR C C 631 177.591 177.591 177.068 0.523 18694 3713 1 8 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.531 0.780 18694 3714 1 8 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.290 -0.071 18694 3715 1 8 . 1 1 631 631 TYR H H 631 8.102 8.102 8.054 0.048 18694 3716 1 8 . 1 1 632 632 ALA N N 632 122.444 122.444 121.510 0.934 18694 3717 1 8 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.786 -0.104 18694 3718 1 8 . 1 1 632 632 ALA C C 632 179.014 179.014 179.637 -0.623 18694 3719 1 8 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.225 0.117 18694 3720 1 8 . 1 1 632 632 ALA CB C 632 19.824 19.824 17.873 1.951 18694 3721 1 8 . 1 1 632 632 ALA H H 632 8.292 8.292 8.025 0.267 18694 3722 1 8 . 1 1 633 633 LYS N N 633 115.912 115.912 118.283 -2.371 18694 3723 1 8 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.945 0.065 18694 3724 1 8 . 1 1 633 633 LYS C C 633 180.004 180.004 178.884 1.120 18694 3725 1 8 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.901 0.803 18694 3726 1 8 . 1 1 633 633 LYS CB C 633 32.667 32.667 32.036 0.631 18694 3727 1 8 . 1 1 633 633 LYS H H 633 8.548 8.548 7.615 0.933 18694 3728 1 8 . 1 1 634 634 LYS N N 634 123.870 123.870 120.450 3.420 18694 3729 1 8 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.929 0.083 18694 3730 1 8 . 1 1 634 634 LYS C C 634 178.603 178.603 178.873 -0.270 18694 3731 1 8 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.210 -0.108 18694 3732 1 8 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.807 -0.018 18694 3733 1 8 . 1 1 634 634 LYS H H 634 7.943 7.943 7.372 0.571 18694 3734 1 8 . 1 1 635 635 VAL N N 635 119.215 119.215 118.955 0.260 18694 3735 1 8 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.399 0.277 18694 3736 1 8 . 1 1 635 635 VAL C C 635 178.574 178.574 177.053 1.521 18694 3737 1 8 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.042 -0.942 18694 3738 1 8 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.419 0.192 18694 3739 1 8 . 1 1 635 635 VAL H H 635 8.165 8.165 7.647 0.518 18694 3740 1 8 . 1 1 636 636 GLU N N 636 120.094 120.094 119.897 0.197 18694 3741 1 8 . 1 1 636 636 GLU HA H 636 3.862 3.862 3.987 -0.125 18694 3742 1 8 . 1 1 636 636 GLU C C 636 178.666 178.666 179.093 -0.427 18694 3743 1 8 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.821 1.868 18694 3744 1 8 . 1 1 636 636 GLU CB C 636 28.719 28.719 29.205 -0.486 18694 3745 1 8 . 1 1 636 636 GLU H H 636 8.331 8.331 7.761 0.570 18694 3746 1 8 . 1 1 637 637 GLY N N 637 106.839 106.839 107.602 -0.763 18694 3747 1 8 . 1 1 637 637 GLY C C 637 176.614 176.614 176.076 0.538 18694 3748 1 8 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.952 0.385 18694 3749 1 8 . 1 1 637 637 GLY H H 637 8.145 8.145 8.028 0.117 18694 3750 1 8 . 1 1 638 638 ASP N N 638 122.731 122.731 122.528 0.203 18694 3751 1 8 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.412 0.131 18694 3752 1 8 . 1 1 638 638 ASP C C 638 180.109 180.109 178.751 1.358 18694 3753 1 8 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.732 0.162 18694 3754 1 8 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.127 -1.039 18694 3755 1 8 . 1 1 638 638 ASP H H 638 8.338 8.338 8.037 0.301 18694 3756 1 8 . 1 1 639 639 MET N N 639 121.055 121.055 118.308 2.747 18694 3757 1 8 . 1 1 639 639 MET HA H 639 4.389 4.389 4.204 0.185 18694 3758 1 8 . 1 1 639 639 MET C C 639 177.737 177.737 178.172 -0.435 18694 3759 1 8 . 1 1 639 639 MET CA C 639 58.675 58.675 56.774 1.901 18694 3760 1 8 . 1 1 639 639 MET CB C 639 32.530 32.530 31.706 0.824 18694 3761 1 8 . 1 1 639 639 MET H H 639 8.193 8.193 8.305 -0.112 18694 3762 1 8 . 1 1 640 640 TYR N N 640 121.235 121.235 120.156 1.079 18694 3763 1 8 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.762 0.536 18694 3764 1 8 . 1 1 640 640 TYR C C 640 178.311 178.311 177.548 0.763 18694 3765 1 8 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.723 0.184 18694 3766 1 8 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.592 1.358 18694 3767 1 8 . 1 1 640 640 TYR H H 640 9.328 9.328 8.335 0.993 18694 3768 1 8 . 1 1 641 641 GLU N N 641 115.098 115.098 117.835 -2.737 18694 3769 1 8 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.917 0.449 18694 3770 1 8 . 1 1 641 641 GLU C C 641 178.006 178.006 178.971 -0.965 18694 3771 1 8 . 1 1 641 641 GLU CA C 641 57.446 57.446 59.674 -2.228 18694 3772 1 8 . 1 1 641 641 GLU CB C 641 29.702 29.702 28.938 0.764 18694 3773 1 8 . 1 1 641 641 GLU H H 641 8.079 8.079 7.960 0.119 18694 3774 1 8 . 1 1 642 642 SER N N 642 112.869 112.869 115.350 -2.481 18694 3775 1 8 . 1 1 642 642 SER HA H 642 4.394 4.394 4.227 0.167 18694 3776 1 8 . 1 1 642 642 SER C C 642 175.251 175.251 176.198 -0.947 18694 3777 1 8 . 1 1 642 642 SER CA C 642 60.175 60.175 60.694 -0.519 18694 3778 1 8 . 1 1 642 642 SER CB C 642 64.388 64.388 62.730 1.658 18694 3779 1 8 . 1 1 642 642 SER H H 642 7.968 7.968 7.571 0.397 18694 3780 1 8 . 1 1 643 643 ALA N N 643 123.763 123.763 123.438 0.325 18694 3781 1 8 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.054 0.173 18694 3782 1 8 . 1 1 643 643 ALA C C 643 177.897 177.897 176.343 1.554 18694 3783 1 8 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.711 -0.112 18694 3784 1 8 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.832 2.860 18694 3785 1 8 . 1 1 643 643 ALA H H 643 8.096 8.096 8.212 -0.116 18694 3786 1 8 . 1 1 644 644 ASN N N 644 117.176 117.176 115.617 1.559 18694 3787 1 8 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.516 0.594 18694 3788 1 8 . 1 1 644 644 ASN C C 644 173.978 173.978 174.219 -0.241 18694 3789 1 8 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.343 0.011 18694 3790 1 8 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.958 1.261 18694 3791 1 8 . 1 1 644 644 ASN H H 644 9.102 9.102 8.055 1.047 18694 3792 1 8 . 1 1 645 645 SER N N 645 111.225 111.225 113.383 -2.158 18694 3793 1 8 . 1 1 645 645 SER HA H 645 3.632 3.632 5.031 -1.399 18694 3794 1 8 . 1 1 645 645 SER C C 645 171.965 171.965 174.306 -2.341 18694 3795 1 8 . 1 1 645 645 SER CA C 645 56.522 56.522 57.054 -0.532 18694 3796 1 8 . 1 1 645 645 SER CB C 645 64.968 64.968 66.196 -1.228 18694 3797 1 8 . 1 1 645 645 SER H H 645 6.865 6.865 7.473 -0.608 18694 3798 1 8 . 1 1 646 646 ARG N N 646 121.944 121.944 124.694 -2.750 18694 3799 1 8 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.092 -0.906 18694 3800 1 8 . 1 1 646 646 ARG C C 646 177.709 177.709 178.444 -0.735 18694 3801 1 8 . 1 1 646 646 ARG CA C 646 59.031 59.031 60.008 -0.977 18694 3802 1 8 . 1 1 646 646 ARG CB C 646 30.253 30.253 30.031 0.222 18694 3803 1 8 . 1 1 646 646 ARG H H 646 8.685 8.685 8.976 -0.291 18694 3804 1 8 . 1 1 647 647 ASP N N 647 116.817 116.817 118.140 -1.323 18694 3805 1 8 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.550 -0.255 18694 3806 1 8 . 1 1 647 647 ASP C C 647 178.860 178.860 178.424 0.436 18694 3807 1 8 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.680 -0.555 18694 3808 1 8 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.380 -0.091 18694 3809 1 8 . 1 1 647 647 ASP H H 647 8.119 8.119 8.577 -0.458 18694 3810 1 8 . 1 1 648 648 GLU N N 648 121.231 121.231 120.639 0.592 18694 3811 1 8 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.140 -0.150 18694 3812 1 8 . 1 1 648 648 GLU C C 648 177.064 177.064 178.407 -1.343 18694 3813 1 8 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.709 -0.447 18694 3814 1 8 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.674 0.464 18694 3815 1 8 . 1 1 648 648 GLU H H 648 7.799 7.799 8.289 -0.490 18694 3816 1 8 . 1 1 649 649 TYR N N 649 122.045 122.045 120.993 1.052 18694 3817 1 8 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.149 -0.150 18694 3818 1 8 . 1 1 649 649 TYR C C 649 176.140 176.140 177.840 -1.700 18694 3819 1 8 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.751 0.918 18694 3820 1 8 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.174 0.783 18694 3821 1 8 . 1 1 649 649 TYR H H 649 7.338 7.338 8.319 -0.981 18694 3822 1 8 . 1 1 650 650 TYR N N 650 115.581 115.581 116.874 -1.293 18694 3823 1 8 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.030 -0.031 18694 3824 1 8 . 1 1 650 650 TYR C C 650 179.058 179.058 178.253 0.805 18694 3825 1 8 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.691 -2.198 18694 3826 1 8 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.127 -0.485 18694 3827 1 8 . 1 1 650 650 TYR H H 650 8.072 8.072 7.916 0.156 18694 3828 1 8 . 1 1 651 651 HIS N N 651 118.435 118.435 119.990 -1.555 18694 3829 1 8 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.299 0.014 18694 3830 1 8 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.054 -0.751 18694 3831 1 8 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.353 -2.097 18694 3832 1 8 . 1 1 651 651 HIS H H 651 8.311 8.311 8.241 0.070 18694 3833 1 8 . 1 1 652 652 LEU N N 652 121.135 121.135 119.852 1.283 18694 3834 1 8 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.883 0.110 18694 3835 1 8 . 1 1 652 652 LEU C C 652 180.822 180.822 179.106 1.716 18694 3836 1 8 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.094 -0.201 18694 3837 1 8 . 1 1 652 652 LEU CB C 652 42.037 42.037 42.000 0.037 18694 3838 1 8 . 1 1 652 652 LEU H H 652 9.141 9.141 8.308 0.833 18694 3839 1 8 . 1 1 653 653 LEU N N 653 120.947 120.947 119.350 1.597 18694 3840 1 8 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.874 -0.041 18694 3841 1 8 . 1 1 653 653 LEU C C 653 178.085 178.085 178.996 -0.911 18694 3842 1 8 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.057 0.281 18694 3843 1 8 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.390 0.496 18694 3844 1 8 . 1 1 653 653 LEU H H 653 7.769 7.769 7.654 0.115 18694 3845 1 8 . 1 1 654 654 ALA N N 654 120.863 120.863 121.288 -0.425 18694 3846 1 8 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.954 -0.070 18694 3847 1 8 . 1 1 654 654 ALA C C 654 180.274 180.274 179.524 0.750 18694 3848 1 8 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.375 -0.019 18694 3849 1 8 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.989 0.201 18694 3850 1 8 . 1 1 654 654 ALA H H 654 8.111 8.111 8.491 -0.380 18694 3851 1 8 . 1 1 655 655 GLU N N 655 118.047 118.047 119.267 -1.220 18694 3852 1 8 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.957 0.061 18694 3853 1 8 . 1 1 655 655 GLU C C 655 178.311 178.311 178.731 -0.420 18694 3854 1 8 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.331 -0.252 18694 3855 1 8 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.019 0.395 18694 3856 1 8 . 1 1 655 655 GLU H H 655 8.363 8.363 8.163 0.200 18694 3857 1 8 . 1 1 656 656 LYS N N 656 120.122 120.122 119.398 0.724 18694 3858 1 8 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.083 -0.033 18694 3859 1 8 . 1 1 656 656 LYS C C 656 178.388 178.388 179.067 -0.679 18694 3860 1 8 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.978 -0.849 18694 3861 1 8 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.065 -0.655 18694 3862 1 8 . 1 1 656 656 LYS H H 656 7.852 7.852 7.901 -0.049 18694 3863 1 8 . 1 1 657 657 ILE N N 657 118.294 118.294 119.513 -1.219 18694 3864 1 8 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.690 -0.299 18694 3865 1 8 . 1 1 657 657 ILE C C 657 177.061 177.061 178.033 -0.972 18694 3866 1 8 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.439 1.087 18694 3867 1 8 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.964 -0.064 18694 3868 1 8 . 1 1 657 657 ILE H H 657 8.199 8.199 7.859 0.340 18694 3869 1 8 . 1 1 658 658 TYR N N 658 119.430 119.430 120.618 -1.188 18694 3870 1 8 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.200 0.103 18694 3871 1 8 . 1 1 658 658 TYR C C 658 177.869 177.869 177.656 0.213 18694 3872 1 8 . 1 1 658 658 TYR CA C 658 60.869 60.869 59.123 1.746 18694 3873 1 8 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.037 0.168 18694 3874 1 8 . 1 1 658 658 TYR H H 658 8.066 8.066 8.132 -0.066 18694 3875 1 8 . 1 1 659 659 LYS N N 659 118.321 118.321 118.957 -0.636 18694 3876 1 8 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.856 -0.042 18694 3877 1 8 . 1 1 659 659 LYS C C 659 180.019 180.019 179.221 0.798 18694 3878 1 8 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.053 0.807 18694 3879 1 8 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.808 0.883 18694 3880 1 8 . 1 1 659 659 LYS H H 659 8.309 8.309 8.022 0.287 18694 3881 1 8 . 1 1 660 660 ILE N N 660 121.103 121.103 120.471 0.632 18694 3882 1 8 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.673 -0.087 18694 3883 1 8 . 1 1 660 660 ILE C C 660 177.404 177.404 177.704 -0.300 18694 3884 1 8 . 1 1 660 660 ILE CA C 660 66.076 66.076 64.803 1.273 18694 3885 1 8 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.932 0.452 18694 3886 1 8 . 1 1 660 660 ILE H H 660 8.546 8.546 7.973 0.573 18694 3887 1 8 . 1 1 661 661 GLN N N 661 118.093 118.093 119.099 -1.006 18694 3888 1 8 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.936 -0.005 18694 3889 1 8 . 1 1 661 661 GLN C C 661 179.682 179.682 178.565 1.117 18694 3890 1 8 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.310 0.558 18694 3891 1 8 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.553 -0.492 18694 3892 1 8 . 1 1 661 661 GLN H H 661 8.554 8.554 7.842 0.712 18694 3893 1 8 . 1 1 662 662 LYS N N 662 119.532 119.532 118.982 0.550 18694 3894 1 8 . 1 1 662 662 LYS HA H 662 3.961 3.961 4.066 -0.105 18694 3895 1 8 . 1 1 662 662 LYS C C 662 178.745 178.745 179.306 -0.561 18694 3896 1 8 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.433 0.088 18694 3897 1 8 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.843 -0.221 18694 3898 1 8 . 1 1 662 662 LYS H H 662 8.110 8.110 7.905 0.205 18694 3899 1 8 . 1 1 663 663 GLU N N 663 121.313 121.313 120.221 1.092 18694 3900 1 8 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.040 -0.019 18694 3901 1 8 . 1 1 663 663 GLU C C 663 179.429 179.429 179.147 0.282 18694 3902 1 8 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.201 0.292 18694 3903 1 8 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.263 -0.099 18694 3904 1 8 . 1 1 663 663 GLU H H 663 8.011 8.011 7.728 0.283 18694 3905 1 8 . 1 1 664 664 LEU N N 664 119.460 119.460 119.692 -0.232 18694 3906 1 8 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.916 0.002 18694 3907 1 8 . 1 1 664 664 LEU C C 664 178.785 178.785 179.153 -0.368 18694 3908 1 8 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.225 -0.051 18694 3909 1 8 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.599 0.306 18694 3910 1 8 . 1 1 664 664 LEU H H 664 8.342 8.342 8.284 0.058 18694 3911 1 8 . 1 1 665 665 GLU N N 665 118.822 118.822 118.529 0.293 18694 3912 1 8 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.937 0.036 18694 3913 1 8 . 1 1 665 665 GLU C C 665 179.161 179.161 179.237 -0.076 18694 3914 1 8 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.417 -0.602 18694 3915 1 8 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.354 -0.221 18694 3916 1 8 . 1 1 665 665 GLU H H 665 8.018 8.018 7.961 0.057 18694 3917 1 8 . 1 1 666 666 GLU N N 666 118.722 118.722 119.783 -1.061 18694 3918 1 8 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.025 -0.053 18694 3919 1 8 . 1 1 666 666 GLU C C 666 179.536 179.536 178.781 0.755 18694 3920 1 8 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.154 -0.244 18694 3921 1 8 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.485 -0.605 18694 3922 1 8 . 1 1 666 666 GLU H H 666 8.014 8.014 8.328 -0.314 18694 3923 1 8 . 1 1 667 667 LYS N N 667 119.177 119.177 117.489 1.688 18694 3924 1 8 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.089 0.052 18694 3925 1 8 . 1 1 667 667 LYS C C 667 179.425 179.425 179.512 -0.087 18694 3926 1 8 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.954 -1.571 18694 3927 1 8 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.347 -0.342 18694 3928 1 8 . 1 1 667 667 LYS H H 667 8.056 8.056 8.079 -0.023 18694 3929 1 8 . 1 1 668 668 ARG N N 668 119.491 119.491 118.351 1.140 18694 3930 1 8 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.231 -0.272 18694 3931 1 8 . 1 1 668 668 ARG C C 668 178.260 178.260 178.840 -0.580 18694 3932 1 8 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.183 0.781 18694 3933 1 8 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.673 0.538 18694 3934 1 8 . 1 1 668 668 ARG H H 668 8.218 8.218 8.165 0.053 18694 3935 1 8 . 1 1 669 669 ARG N N 669 117.972 117.972 120.923 -2.951 18694 3936 1 8 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.166 0.004 18694 3937 1 8 . 1 1 669 669 ARG C C 669 177.325 177.325 177.394 -0.069 18694 3938 1 8 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.705 -1.154 18694 3939 1 8 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.237 -0.128 18694 3940 1 8 . 1 1 669 669 ARG H H 669 7.793 7.793 7.942 -0.149 18694 3941 1 8 . 1 1 670 670 SER N N 670 114.336 114.336 111.594 2.742 18694 3942 1 8 . 1 1 670 670 SER HA H 670 4.410 4.410 4.506 -0.096 18694 3943 1 8 . 1 1 670 670 SER C C 670 174.266 174.266 174.158 0.108 18694 3944 1 8 . 1 1 670 670 SER CA C 670 58.946 58.946 57.508 1.438 18694 3945 1 8 . 1 1 670 670 SER CB C 670 63.814 63.814 63.691 0.123 18694 3946 1 8 . 1 1 670 670 SER H H 670 7.794 7.794 7.630 0.164 18694 3947 1 8 . 1 1 671 671 ARG N N 671 122.062 122.062 123.605 -1.543 18694 3948 1 8 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.427 -0.080 18694 3949 1 8 . 1 1 671 671 ARG C C 671 175.272 175.272 174.917 0.355 18694 3950 1 8 . 1 1 671 671 ARG CA C 671 56.121 56.121 54.081 2.040 18694 3951 1 8 . 1 1 671 671 ARG CB C 671 30.507 30.507 28.911 1.596 18694 3952 1 8 . 1 1 671 671 ARG H H 671 7.740 7.740 7.348 0.392 18694 3953 1 9 . 1 1 587 587 VAL N N 587 119.752 119.752 117.599 2.153 18694 3954 1 9 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.547 -0.449 18694 3955 1 9 . 1 1 587 587 VAL C C 587 176.340 176.340 176.245 0.095 18694 3956 1 9 . 1 1 587 587 VAL CA C 587 62.229 62.229 59.935 2.294 18694 3957 1 9 . 1 1 587 587 VAL CB C 587 32.782 32.782 34.803 -2.021 18694 3958 1 9 . 1 1 587 587 VAL H H 587 8.027 8.027 7.931 0.096 18694 3959 1 9 . 1 1 588 588 ARG N N 588 125.669 125.669 120.170 5.499 18694 3960 1 9 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.137 0.185 18694 3961 1 9 . 1 1 588 588 ARG C C 588 176.109 176.109 176.663 -0.554 18694 3962 1 9 . 1 1 588 588 ARG CA C 588 56.167 56.167 57.085 -0.918 18694 3963 1 9 . 1 1 588 588 ARG CB C 588 30.651 30.651 29.853 0.798 18694 3964 1 9 . 1 1 588 588 ARG H H 588 8.528 8.528 8.442 0.086 18694 3965 1 9 . 1 1 589 589 LYS N N 589 121.018 121.018 119.997 1.021 18694 3966 1 9 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.417 0.769 18694 3967 1 9 . 1 1 589 589 LYS C C 589 177.598 177.598 175.508 2.090 18694 3968 1 9 . 1 1 589 589 LYS CA C 589 54.923 54.923 54.916 0.007 18694 3969 1 9 . 1 1 589 589 LYS CB C 589 32.589 32.589 29.930 2.659 18694 3970 1 9 . 1 1 589 589 LYS H H 589 8.116 8.116 7.865 0.251 18694 3971 1 9 . 1 1 590 590 GLY N N 590 112.531 112.531 108.557 3.974 18694 3972 1 9 . 1 1 590 590 GLY C C 590 176.465 176.465 173.878 2.587 18694 3973 1 9 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.194 3.002 18694 3974 1 9 . 1 1 590 590 GLY H H 590 8.669 8.669 7.547 1.122 18694 3975 1 9 . 1 1 591 591 TRP N N 591 119.435 119.435 117.408 2.027 18694 3976 1 9 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.400 0.105 18694 3977 1 9 . 1 1 591 591 TRP C C 591 178.177 178.177 176.706 1.471 18694 3978 1 9 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.856 0.272 18694 3979 1 9 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.020 -1.266 18694 3980 1 9 . 1 1 591 591 TRP H H 591 8.026 8.026 6.722 1.304 18694 3981 1 9 . 1 1 592 592 HIS N N 592 119.340 119.340 117.547 1.793 18694 3982 1 9 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.621 -1.120 18694 3983 1 9 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.458 -0.180 18694 3984 1 9 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.465 -1.981 18694 3985 1 9 . 1 1 592 592 HIS H H 592 7.165 7.165 8.510 -1.345 18694 3986 1 9 . 1 1 593 593 GLU N N 593 116.536 116.536 120.143 -3.607 18694 3987 1 9 . 1 1 593 593 GLU HA H 593 3.980 3.980 3.968 0.012 18694 3988 1 9 . 1 1 593 593 GLU C C 593 176.675 176.675 176.793 -0.118 18694 3989 1 9 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.840 -0.731 18694 3990 1 9 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.862 0.318 18694 3991 1 9 . 1 1 593 593 GLU H H 593 7.726 7.726 8.424 -0.698 18694 3992 1 9 . 1 1 594 594 HIS N N 594 112.885 112.885 114.284 -1.399 18694 3993 1 9 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.683 0.267 18694 3994 1 9 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.274 -1.010 18694 3995 1 9 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.009 0.173 18694 3996 1 9 . 1 1 594 594 HIS H H 594 7.530 7.530 8.008 -0.478 18694 3997 1 9 . 1 1 595 595 VAL N N 595 120.678 120.678 121.242 -0.564 18694 3998 1 9 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.410 0.090 18694 3999 1 9 . 1 1 595 595 VAL C C 595 174.593 174.593 175.325 -0.732 18694 4000 1 9 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.334 0.709 18694 4001 1 9 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.072 -0.710 18694 4002 1 9 . 1 1 595 595 VAL H H 595 7.492 7.492 7.838 -0.346 18694 4003 1 9 . 1 1 596 596 THR N N 596 115.525 115.525 118.781 -3.256 18694 4004 1 9 . 1 1 596 596 THR HA H 596 4.494 4.494 4.554 -0.060 18694 4005 1 9 . 1 1 596 596 THR C C 596 175.419 175.419 175.696 -0.277 18694 4006 1 9 . 1 1 596 596 THR CA C 596 60.001 60.001 60.777 -0.776 18694 4007 1 9 . 1 1 596 596 THR CB C 596 71.072 71.072 71.264 -0.192 18694 4008 1 9 . 1 1 596 596 THR H H 596 7.583 7.583 8.428 -0.845 18694 4009 1 9 . 1 1 597 597 GLN N N 597 120.346 120.346 125.832 -5.486 18694 4010 1 9 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.020 -0.202 18694 4011 1 9 . 1 1 597 597 GLN C C 597 178.079 178.079 177.417 0.662 18694 4012 1 9 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.365 -0.611 18694 4013 1 9 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.557 -0.545 18694 4014 1 9 . 1 1 597 597 GLN H H 597 8.929 8.929 8.910 0.019 18694 4015 1 9 . 1 1 598 598 ASP N N 598 117.842 117.842 119.922 -2.080 18694 4016 1 9 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.388 -0.048 18694 4017 1 9 . 1 1 598 598 ASP C C 598 178.494 178.494 178.507 -0.013 18694 4018 1 9 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.454 -0.561 18694 4019 1 9 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.567 -0.033 18694 4020 1 9 . 1 1 598 598 ASP H H 598 8.382 8.382 7.766 0.616 18694 4021 1 9 . 1 1 599 599 LEU N N 599 123.174 123.174 119.983 3.191 18694 4022 1 9 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.049 0.194 18694 4023 1 9 . 1 1 599 599 LEU C C 599 179.129 179.129 178.645 0.484 18694 4024 1 9 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.992 0.451 18694 4025 1 9 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.968 -0.334 18694 4026 1 9 . 1 1 599 599 LEU H H 599 7.671 7.671 7.408 0.263 18694 4027 1 9 . 1 1 600 600 ARG N N 600 118.132 118.132 118.468 -0.336 18694 4028 1 9 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.019 0.303 18694 4029 1 9 . 1 1 600 600 ARG C C 600 179.103 179.103 178.965 0.138 18694 4030 1 9 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.651 0.745 18694 4031 1 9 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.091 0.429 18694 4032 1 9 . 1 1 600 600 ARG H H 600 7.768 7.768 7.630 0.138 18694 4033 1 9 . 1 1 601 601 SER N N 601 112.865 112.865 114.955 -2.090 18694 4034 1 9 . 1 1 601 601 SER HA H 601 4.134 4.134 4.043 0.091 18694 4035 1 9 . 1 1 601 601 SER C C 601 177.665 177.665 176.142 1.523 18694 4036 1 9 . 1 1 601 601 SER CA C 601 61.534 61.534 61.913 -0.379 18694 4037 1 9 . 1 1 601 601 SER CB C 601 62.758 62.758 62.293 0.465 18694 4038 1 9 . 1 1 601 601 SER H H 601 8.501 8.501 8.367 0.134 18694 4039 1 9 . 1 1 602 602 HIS N N 602 121.543 121.543 123.966 -2.423 18694 4040 1 9 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.422 0.071 18694 4041 1 9 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.742 -0.833 18694 4042 1 9 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.130 -2.041 18694 4043 1 9 . 1 1 602 602 HIS H H 602 8.098 8.098 8.322 -0.224 18694 4044 1 9 . 1 1 603 603 LEU N N 603 122.394 122.394 118.882 3.512 18694 4045 1 9 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.893 0.135 18694 4046 1 9 . 1 1 603 603 LEU C C 603 179.275 179.275 179.084 0.191 18694 4047 1 9 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.794 0.303 18694 4048 1 9 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.695 -1.473 18694 4049 1 9 . 1 1 603 603 LEU H H 603 8.293 8.293 7.879 0.414 18694 4050 1 9 . 1 1 604 604 VAL N N 604 120.325 120.325 120.222 0.103 18694 4051 1 9 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.516 -0.088 18694 4052 1 9 . 1 1 604 604 VAL C C 604 178.026 178.026 178.325 -0.299 18694 4053 1 9 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.326 1.566 18694 4054 1 9 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.703 0.900 18694 4055 1 9 . 1 1 604 604 VAL H H 604 8.409 8.409 7.872 0.537 18694 4056 1 9 . 1 1 605 605 HIS N N 605 116.275 116.275 118.302 -2.027 18694 4057 1 9 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.200 0.052 18694 4058 1 9 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.281 -1.190 18694 4059 1 9 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.387 -1.507 18694 4060 1 9 . 1 1 605 605 HIS H H 605 7.908 7.908 8.200 -0.292 18694 4061 1 9 . 1 1 606 606 LYS N N 606 119.506 119.506 121.013 -1.507 18694 4062 1 9 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.933 0.340 18694 4063 1 9 . 1 1 606 606 LYS C C 606 178.947 178.947 178.649 0.298 18694 4064 1 9 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.460 -0.656 18694 4065 1 9 . 1 1 606 606 LYS H H 606 8.092 8.092 7.656 0.436 18694 4066 1 9 . 1 1 607 607 LEU N N 607 121.321 121.321 120.808 0.513 18694 4067 1 9 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.961 -0.003 18694 4068 1 9 . 1 1 607 607 LEU C C 607 177.899 177.899 178.588 -0.689 18694 4069 1 9 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.813 1.013 18694 4070 1 9 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.099 0.424 18694 4071 1 9 . 1 1 607 607 LEU H H 607 7.994 7.994 7.971 0.023 18694 4072 1 9 . 1 1 608 608 VAL N N 608 118.191 118.191 119.168 -0.977 18694 4073 1 9 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.513 -0.166 18694 4074 1 9 . 1 1 608 608 VAL C C 608 177.033 177.033 177.879 -0.846 18694 4075 1 9 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.708 1.235 18694 4076 1 9 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.567 0.085 18694 4077 1 9 . 1 1 608 608 VAL H H 608 8.036 8.036 8.236 -0.200 18694 4078 1 9 . 1 1 609 609 GLN N N 609 116.772 116.772 119.864 -3.092 18694 4079 1 9 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.145 -0.257 18694 4080 1 9 . 1 1 609 609 GLN C C 609 176.992 176.992 177.302 -0.310 18694 4081 1 9 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.671 -0.563 18694 4082 1 9 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.798 0.355 18694 4083 1 9 . 1 1 609 609 GLN H H 609 8.108 8.108 8.408 -0.300 18694 4084 1 9 . 1 1 610 610 ALA N N 610 119.316 119.316 120.535 -1.219 18694 4085 1 9 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.191 -0.158 18694 4086 1 9 . 1 1 610 610 ALA C C 610 178.498 178.498 178.742 -0.244 18694 4087 1 9 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.401 -0.623 18694 4088 1 9 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.685 0.707 18694 4089 1 9 . 1 1 610 610 ALA H H 610 7.756 7.756 7.872 -0.116 18694 4090 1 9 . 1 1 611 611 ILE N N 611 115.839 115.839 115.875 -0.036 18694 4091 1 9 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.058 -0.383 18694 4092 1 9 . 1 1 611 611 ILE C C 611 174.299 174.299 176.572 -2.273 18694 4093 1 9 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.389 0.336 18694 4094 1 9 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.105 0.201 18694 4095 1 9 . 1 1 611 611 ILE H H 611 7.498 7.498 7.432 0.066 18694 4096 1 9 . 1 1 612 612 PHE N N 612 116.531 116.531 119.764 -3.233 18694 4097 1 9 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.006 0.090 18694 4098 1 9 . 1 1 612 612 PHE C C 612 171.610 171.610 173.479 -1.869 18694 4099 1 9 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.570 -2.854 18694 4100 1 9 . 1 1 612 612 PHE CB C 612 39.682 39.682 40.921 -1.239 18694 4101 1 9 . 1 1 612 612 PHE H H 612 8.235 8.235 8.076 0.159 18694 4102 1 9 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.419 0.154 18694 4103 1 9 . 1 1 613 613 PRO C C 613 178.269 178.269 176.445 1.824 18694 4104 1 9 . 1 1 613 613 PRO CA C 613 64.778 64.778 64.072 0.706 18694 4105 1 9 . 1 1 613 613 PRO CB C 613 32.444 32.444 32.079 0.365 18694 4106 1 9 . 1 1 614 614 THR N N 614 109.561 109.561 112.564 -3.003 18694 4107 1 9 . 1 1 614 614 THR HA H 614 4.470 4.470 4.474 -0.004 18694 4108 1 9 . 1 1 614 614 THR C C 614 172.048 172.048 172.577 -0.529 18694 4109 1 9 . 1 1 614 614 THR CA C 614 58.106 58.106 58.262 -0.156 18694 4110 1 9 . 1 1 614 614 THR CB C 614 69.549 69.549 68.312 1.237 18694 4111 1 9 . 1 1 614 614 THR H H 614 8.025 8.025 7.165 0.860 18694 4112 1 9 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.396 -0.406 18694 4113 1 9 . 1 1 615 615 PRO C C 615 176.462 176.462 175.927 0.535 18694 4114 1 9 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.362 0.330 18694 4115 1 9 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.555 0.747 18694 4116 1 9 . 1 1 616 616 ASP N N 616 122.743 122.743 122.872 -0.129 18694 4117 1 9 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.557 0.196 18694 4118 1 9 . 1 1 616 616 ASP C C 616 174.226 174.226 176.866 -2.640 18694 4119 1 9 . 1 1 616 616 ASP CA C 616 51.858 51.858 52.285 -0.427 18694 4120 1 9 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.715 -2.785 18694 4121 1 9 . 1 1 616 616 ASP H H 616 8.145 8.145 7.722 0.423 18694 4122 1 9 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.239 -0.129 18694 4123 1 9 . 1 1 617 617 PRO C C 617 178.885 178.885 177.188 1.697 18694 4124 1 9 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.898 1.117 18694 4125 1 9 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.097 -0.163 18694 4126 1 9 . 1 1 618 618 ALA N N 618 118.548 118.548 120.814 -2.266 18694 4127 1 9 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.245 -0.162 18694 4128 1 9 . 1 1 618 618 ALA C C 618 180.518 180.518 179.986 0.532 18694 4129 1 9 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.327 0.395 18694 4130 1 9 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.338 -0.147 18694 4131 1 9 . 1 1 618 618 ALA H H 618 8.093 8.093 7.717 0.376 18694 4132 1 9 . 1 1 619 619 ALA N N 619 122.623 122.623 122.221 0.402 18694 4133 1 9 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.137 0.188 18694 4134 1 9 . 1 1 619 619 ALA C C 619 179.318 179.318 180.091 -0.773 18694 4135 1 9 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.678 0.007 18694 4136 1 9 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.430 0.225 18694 4137 1 9 . 1 1 619 619 ALA H H 619 8.039 8.039 8.677 -0.638 18694 4138 1 9 . 1 1 620 620 LEU N N 620 114.041 114.041 117.507 -3.466 18694 4139 1 9 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.280 -0.233 18694 4140 1 9 . 1 1 620 620 LEU C C 620 178.288 178.288 177.562 0.726 18694 4141 1 9 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.011 0.128 18694 4142 1 9 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.431 0.716 18694 4143 1 9 . 1 1 620 620 LEU H H 620 7.606 7.606 7.940 -0.334 18694 4144 1 9 . 1 1 621 621 LYS N N 621 115.255 115.255 114.870 0.385 18694 4145 1 9 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.432 -0.095 18694 4146 1 9 . 1 1 621 621 LYS C C 621 175.867 175.867 176.244 -0.377 18694 4147 1 9 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.491 -0.038 18694 4148 1 9 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.637 0.244 18694 4149 1 9 . 1 1 621 621 LYS H H 621 7.272 7.272 7.465 -0.193 18694 4150 1 9 . 1 1 622 622 ASP N N 622 123.382 123.382 121.269 2.113 18694 4151 1 9 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.660 -0.167 18694 4152 1 9 . 1 1 622 622 ASP C C 622 178.117 178.117 176.980 1.137 18694 4153 1 9 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.612 0.272 18694 4154 1 9 . 1 1 622 622 ASP CB C 622 43.987 43.987 43.085 0.902 18694 4155 1 9 . 1 1 622 622 ASP H H 622 7.454 7.454 7.639 -0.185 18694 4156 1 9 . 1 1 623 623 ARG N N 623 130.356 130.356 125.802 4.554 18694 4157 1 9 . 1 1 623 623 ARG HA H 623 4.087 4.087 3.971 0.116 18694 4158 1 9 . 1 1 623 623 ARG C C 623 178.321 178.321 178.467 -0.146 18694 4159 1 9 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.807 -0.018 18694 4160 1 9 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.984 -0.473 18694 4161 1 9 . 1 1 623 623 ARG H H 623 9.107 9.107 8.840 0.267 18694 4162 1 9 . 1 1 624 624 ARG N N 624 119.125 119.125 119.817 -0.692 18694 4163 1 9 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.210 -0.376 18694 4164 1 9 . 1 1 624 624 ARG C C 624 178.521 178.521 178.606 -0.085 18694 4165 1 9 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.303 -0.624 18694 4166 1 9 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.933 -1.834 18694 4167 1 9 . 1 1 624 624 ARG H H 624 9.582 9.582 9.001 0.581 18694 4168 1 9 . 1 1 625 625 MET N N 625 120.202 120.202 119.240 0.962 18694 4169 1 9 . 1 1 625 625 MET HA H 625 4.527 4.527 4.172 0.355 18694 4170 1 9 . 1 1 625 625 MET C C 625 178.749 178.749 177.951 0.798 18694 4171 1 9 . 1 1 625 625 MET CA C 625 56.796 56.796 58.822 -2.026 18694 4172 1 9 . 1 1 625 625 MET CB C 625 30.890 30.890 32.383 -1.493 18694 4173 1 9 . 1 1 625 625 MET H H 625 7.953 7.953 7.687 0.266 18694 4174 1 9 . 1 1 626 626 GLU N N 626 117.897 117.897 119.080 -1.183 18694 4175 1 9 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.974 0.086 18694 4176 1 9 . 1 1 626 626 GLU C C 626 179.640 179.640 179.146 0.494 18694 4177 1 9 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.575 -0.595 18694 4178 1 9 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.751 -0.219 18694 4179 1 9 . 1 1 626 626 GLU H H 626 7.431 7.431 7.805 -0.374 18694 4180 1 9 . 1 1 627 627 ASN N N 627 117.950 117.950 118.798 -0.848 18694 4181 1 9 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.459 0.030 18694 4182 1 9 . 1 1 627 627 ASN C C 627 177.540 177.540 178.017 -0.477 18694 4183 1 9 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.042 -0.244 18694 4184 1 9 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.463 -0.959 18694 4185 1 9 . 1 1 627 627 ASN H H 627 7.442 7.442 8.089 -0.647 18694 4186 1 9 . 1 1 628 628 LEU N N 628 124.396 124.396 120.016 4.380 18694 4187 1 9 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.209 -0.020 18694 4188 1 9 . 1 1 628 628 LEU C C 628 177.838 177.838 178.210 -0.372 18694 4189 1 9 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.365 0.976 18694 4190 1 9 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.336 0.365 18694 4191 1 9 . 1 1 628 628 LEU H H 628 7.873 7.873 7.735 0.138 18694 4192 1 9 . 1 1 629 629 VAL N N 629 120.503 120.503 120.438 0.065 18694 4193 1 9 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.557 -0.074 18694 4194 1 9 . 1 1 629 629 VAL C C 629 177.552 177.552 178.098 -0.546 18694 4195 1 9 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.941 0.284 18694 4196 1 9 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.340 0.347 18694 4197 1 9 . 1 1 629 629 VAL H H 629 8.246 8.246 8.190 0.056 18694 4198 1 9 . 1 1 630 630 ALA N N 630 120.687 120.687 122.831 -2.144 18694 4199 1 9 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.028 0.004 18694 4200 1 9 . 1 1 630 630 ALA C C 630 180.849 180.849 179.297 1.552 18694 4201 1 9 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.204 0.210 18694 4202 1 9 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.050 0.042 18694 4203 1 9 . 1 1 630 630 ALA H H 630 8.159 8.159 8.477 -0.318 18694 4204 1 9 . 1 1 631 631 TYR N N 631 121.083 121.083 120.304 0.779 18694 4205 1 9 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.016 0.223 18694 4206 1 9 . 1 1 631 631 TYR C C 631 177.591 177.591 177.302 0.289 18694 4207 1 9 . 1 1 631 631 TYR CA C 631 61.311 61.311 61.683 -0.372 18694 4208 1 9 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.349 -0.130 18694 4209 1 9 . 1 1 631 631 TYR H H 631 8.102 8.102 8.472 -0.370 18694 4210 1 9 . 1 1 632 632 ALA N N 632 122.444 122.444 121.445 0.999 18694 4211 1 9 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.877 -0.195 18694 4212 1 9 . 1 1 632 632 ALA C C 632 179.014 179.014 179.563 -0.549 18694 4213 1 9 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.409 -0.067 18694 4214 1 9 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.031 1.793 18694 4215 1 9 . 1 1 632 632 ALA H H 632 8.292 8.292 8.338 -0.046 18694 4216 1 9 . 1 1 633 633 LYS N N 633 115.912 115.912 118.303 -2.391 18694 4217 1 9 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.882 0.128 18694 4218 1 9 . 1 1 633 633 LYS C C 633 180.004 180.004 179.119 0.885 18694 4219 1 9 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.396 0.308 18694 4220 1 9 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.877 0.790 18694 4221 1 9 . 1 1 633 633 LYS H H 633 8.548 8.548 8.000 0.548 18694 4222 1 9 . 1 1 634 634 LYS N N 634 123.870 123.870 120.015 3.855 18694 4223 1 9 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.862 0.150 18694 4224 1 9 . 1 1 634 634 LYS C C 634 178.603 178.603 178.691 -0.088 18694 4225 1 9 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.878 -0.776 18694 4226 1 9 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.148 -0.359 18694 4227 1 9 . 1 1 634 634 LYS H H 634 7.943 7.943 7.951 -0.008 18694 4228 1 9 . 1 1 635 635 VAL N N 635 119.215 119.215 119.335 -0.120 18694 4229 1 9 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.426 0.250 18694 4230 1 9 . 1 1 635 635 VAL C C 635 178.574 178.574 177.716 0.858 18694 4231 1 9 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.595 -0.495 18694 4232 1 9 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.667 -0.056 18694 4233 1 9 . 1 1 635 635 VAL H H 635 8.165 8.165 7.972 0.193 18694 4234 1 9 . 1 1 636 636 GLU N N 636 120.094 120.094 119.677 0.417 18694 4235 1 9 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.071 -0.209 18694 4236 1 9 . 1 1 636 636 GLU C C 636 178.666 178.666 179.313 -0.647 18694 4237 1 9 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.437 2.252 18694 4238 1 9 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.523 0.196 18694 4239 1 9 . 1 1 636 636 GLU H H 636 8.331 8.331 8.492 -0.161 18694 4240 1 9 . 1 1 637 637 GLY N N 637 106.839 106.839 108.230 -1.391 18694 4241 1 9 . 1 1 637 637 GLY C C 637 176.614 176.614 176.012 0.602 18694 4242 1 9 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.799 0.538 18694 4243 1 9 . 1 1 637 637 GLY H H 637 8.145 8.145 8.430 -0.285 18694 4244 1 9 . 1 1 638 638 ASP N N 638 122.731 122.731 122.649 0.082 18694 4245 1 9 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.384 0.159 18694 4246 1 9 . 1 1 638 638 ASP C C 638 180.109 180.109 178.681 1.428 18694 4247 1 9 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.791 0.103 18694 4248 1 9 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.157 -1.069 18694 4249 1 9 . 1 1 638 638 ASP H H 638 8.338 8.338 8.048 0.290 18694 4250 1 9 . 1 1 639 639 MET N N 639 121.055 121.055 118.673 2.382 18694 4251 1 9 . 1 1 639 639 MET HA H 639 4.389 4.389 4.190 0.199 18694 4252 1 9 . 1 1 639 639 MET C C 639 177.737 177.737 178.328 -0.591 18694 4253 1 9 . 1 1 639 639 MET CA C 639 58.675 58.675 57.234 1.441 18694 4254 1 9 . 1 1 639 639 MET CB C 639 32.530 32.530 31.573 0.957 18694 4255 1 9 . 1 1 639 639 MET H H 639 8.193 8.193 8.571 -0.378 18694 4256 1 9 . 1 1 640 640 TYR N N 640 121.235 121.235 120.125 1.110 18694 4257 1 9 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.674 0.624 18694 4258 1 9 . 1 1 640 640 TYR C C 640 178.311 178.311 177.152 1.159 18694 4259 1 9 . 1 1 640 640 TYR CA C 640 61.907 61.907 60.686 1.221 18694 4260 1 9 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.438 1.512 18694 4261 1 9 . 1 1 640 640 TYR H H 640 9.328 9.328 8.151 1.177 18694 4262 1 9 . 1 1 641 641 GLU N N 641 115.098 115.098 116.843 -1.745 18694 4263 1 9 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.813 0.553 18694 4264 1 9 . 1 1 641 641 GLU C C 641 178.006 178.006 178.428 -0.422 18694 4265 1 9 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.805 -1.359 18694 4266 1 9 . 1 1 641 641 GLU CB C 641 29.702 29.702 28.973 0.729 18694 4267 1 9 . 1 1 641 641 GLU H H 641 8.079 8.079 7.554 0.525 18694 4268 1 9 . 1 1 642 642 SER N N 642 112.869 112.869 114.641 -1.772 18694 4269 1 9 . 1 1 642 642 SER HA H 642 4.394 4.394 4.251 0.143 18694 4270 1 9 . 1 1 642 642 SER C C 642 175.251 175.251 176.464 -1.213 18694 4271 1 9 . 1 1 642 642 SER CA C 642 60.175 60.175 60.083 0.092 18694 4272 1 9 . 1 1 642 642 SER CB C 642 64.388 64.388 63.048 1.339 18694 4273 1 9 . 1 1 642 642 SER H H 642 7.968 7.968 7.672 0.296 18694 4274 1 9 . 1 1 643 643 ALA N N 643 123.763 123.763 123.925 -0.162 18694 4275 1 9 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.184 0.043 18694 4276 1 9 . 1 1 643 643 ALA C C 643 177.897 177.897 176.878 1.019 18694 4277 1 9 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.959 -0.360 18694 4278 1 9 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.786 2.906 18694 4279 1 9 . 1 1 643 643 ALA H H 643 8.096 8.096 8.139 -0.043 18694 4280 1 9 . 1 1 644 644 ASN N N 644 117.176 117.176 115.917 1.259 18694 4281 1 9 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.523 0.587 18694 4282 1 9 . 1 1 644 644 ASN C C 644 173.978 173.978 174.890 -0.912 18694 4283 1 9 . 1 1 644 644 ASN CA C 644 53.354 53.354 54.049 -0.695 18694 4284 1 9 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.175 1.044 18694 4285 1 9 . 1 1 644 644 ASN H H 644 9.102 9.102 8.245 0.857 18694 4286 1 9 . 1 1 645 645 SER N N 645 111.225 111.225 115.297 -4.072 18694 4287 1 9 . 1 1 645 645 SER HA H 645 3.632 3.632 4.796 -1.164 18694 4288 1 9 . 1 1 645 645 SER C C 645 171.965 171.965 174.429 -2.464 18694 4289 1 9 . 1 1 645 645 SER CA C 645 56.522 56.522 57.661 -1.139 18694 4290 1 9 . 1 1 645 645 SER CB C 645 64.968 64.968 66.171 -1.204 18694 4291 1 9 . 1 1 645 645 SER H H 645 6.865 6.865 7.504 -0.639 18694 4292 1 9 . 1 1 646 646 ARG N N 646 121.944 121.944 126.495 -4.551 18694 4293 1 9 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.269 -1.083 18694 4294 1 9 . 1 1 646 646 ARG C C 646 177.709 177.709 178.126 -0.417 18694 4295 1 9 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.988 -0.957 18694 4296 1 9 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.938 0.316 18694 4297 1 9 . 1 1 646 646 ARG H H 646 8.685 8.685 9.016 -0.331 18694 4298 1 9 . 1 1 647 647 ASP N N 647 116.817 116.817 118.609 -1.792 18694 4299 1 9 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.545 -0.250 18694 4300 1 9 . 1 1 647 647 ASP C C 647 178.860 178.860 178.566 0.294 18694 4301 1 9 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.373 -0.248 18694 4302 1 9 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.538 -0.249 18694 4303 1 9 . 1 1 647 647 ASP H H 647 8.119 8.119 8.476 -0.357 18694 4304 1 9 . 1 1 648 648 GLU N N 648 121.231 121.231 120.319 0.912 18694 4305 1 9 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.166 -0.176 18694 4306 1 9 . 1 1 648 648 GLU C C 648 177.064 177.064 178.617 -1.553 18694 4307 1 9 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.298 -0.036 18694 4308 1 9 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.115 1.023 18694 4309 1 9 . 1 1 648 648 GLU H H 648 7.799 7.799 8.478 -0.679 18694 4310 1 9 . 1 1 649 649 TYR N N 649 122.045 122.045 121.341 0.704 18694 4311 1 9 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.163 -0.164 18694 4312 1 9 . 1 1 649 649 TYR C C 649 176.140 176.140 177.927 -1.787 18694 4313 1 9 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.259 0.410 18694 4314 1 9 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.247 0.710 18694 4315 1 9 . 1 1 649 649 TYR H H 649 7.338 7.338 8.442 -1.104 18694 4316 1 9 . 1 1 650 650 TYR N N 650 115.581 115.581 116.596 -1.015 18694 4317 1 9 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.994 0.005 18694 4318 1 9 . 1 1 650 650 TYR C C 650 179.058 179.058 178.311 0.747 18694 4319 1 9 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.690 -2.197 18694 4320 1 9 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.174 -0.532 18694 4321 1 9 . 1 1 650 650 TYR H H 650 8.072 8.072 8.080 -0.008 18694 4322 1 9 . 1 1 651 651 HIS N N 651 118.435 118.435 119.777 -1.342 18694 4323 1 9 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.263 0.050 18694 4324 1 9 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.129 -0.826 18694 4325 1 9 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.368 -2.112 18694 4326 1 9 . 1 1 651 651 HIS H H 651 8.311 8.311 7.943 0.368 18694 4327 1 9 . 1 1 652 652 LEU N N 652 121.135 121.135 119.900 1.235 18694 4328 1 9 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.964 0.029 18694 4329 1 9 . 1 1 652 652 LEU C C 652 180.822 180.822 179.165 1.657 18694 4330 1 9 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.252 -0.359 18694 4331 1 9 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.989 0.048 18694 4332 1 9 . 1 1 652 652 LEU H H 652 9.141 9.141 8.488 0.653 18694 4333 1 9 . 1 1 653 653 LEU N N 653 120.947 120.947 118.973 1.974 18694 4334 1 9 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.844 -0.011 18694 4335 1 9 . 1 1 653 653 LEU C C 653 178.085 178.085 178.826 -0.741 18694 4336 1 9 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.003 0.335 18694 4337 1 9 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.314 0.572 18694 4338 1 9 . 1 1 653 653 LEU H H 653 7.769 7.769 7.535 0.234 18694 4339 1 9 . 1 1 654 654 ALA N N 654 120.863 120.863 121.276 -0.413 18694 4340 1 9 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.868 0.016 18694 4341 1 9 . 1 1 654 654 ALA C C 654 180.274 180.274 179.379 0.895 18694 4342 1 9 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.269 0.087 18694 4343 1 9 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.785 0.405 18694 4344 1 9 . 1 1 654 654 ALA H H 654 8.111 8.111 8.326 -0.215 18694 4345 1 9 . 1 1 655 655 GLU N N 655 118.047 118.047 118.414 -0.367 18694 4346 1 9 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.888 0.130 18694 4347 1 9 . 1 1 655 655 GLU C C 655 178.311 178.311 178.751 -0.440 18694 4348 1 9 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.437 -0.358 18694 4349 1 9 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.451 -0.037 18694 4350 1 9 . 1 1 655 655 GLU H H 655 8.363 8.363 7.969 0.394 18694 4351 1 9 . 1 1 656 656 LYS N N 656 120.122 120.122 118.639 1.483 18694 4352 1 9 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.111 -0.061 18694 4353 1 9 . 1 1 656 656 LYS C C 656 178.388 178.388 179.395 -1.007 18694 4354 1 9 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.514 -0.385 18694 4355 1 9 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.004 -0.594 18694 4356 1 9 . 1 1 656 656 LYS H H 656 7.852 7.852 7.532 0.320 18694 4357 1 9 . 1 1 657 657 ILE N N 657 118.294 118.294 120.169 -1.875 18694 4358 1 9 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.696 -0.305 18694 4359 1 9 . 1 1 657 657 ILE C C 657 177.061 177.061 178.020 -0.959 18694 4360 1 9 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.467 1.059 18694 4361 1 9 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.828 0.072 18694 4362 1 9 . 1 1 657 657 ILE H H 657 8.199 8.199 8.149 0.050 18694 4363 1 9 . 1 1 658 658 TYR N N 658 119.430 119.430 120.654 -1.224 18694 4364 1 9 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.041 0.262 18694 4365 1 9 . 1 1 658 658 TYR C C 658 177.869 177.869 177.369 0.500 18694 4366 1 9 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.738 0.131 18694 4367 1 9 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.009 0.196 18694 4368 1 9 . 1 1 658 658 TYR H H 658 8.066 8.066 8.185 -0.119 18694 4369 1 9 . 1 1 659 659 LYS N N 659 118.321 118.321 120.150 -1.829 18694 4370 1 9 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.867 -0.053 18694 4371 1 9 . 1 1 659 659 LYS C C 659 180.019 180.019 178.930 1.089 18694 4372 1 9 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.007 0.853 18694 4373 1 9 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.549 1.142 18694 4374 1 9 . 1 1 659 659 LYS H H 659 8.309 8.309 8.065 0.244 18694 4375 1 9 . 1 1 660 660 ILE N N 660 121.103 121.103 119.926 1.177 18694 4376 1 9 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.589 -0.003 18694 4377 1 9 . 1 1 660 660 ILE C C 660 177.404 177.404 177.837 -0.433 18694 4378 1 9 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.127 0.949 18694 4379 1 9 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.914 0.470 18694 4380 1 9 . 1 1 660 660 ILE H H 660 8.546 8.546 8.116 0.430 18694 4381 1 9 . 1 1 661 661 GLN N N 661 118.093 118.093 118.434 -0.341 18694 4382 1 9 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.898 0.033 18694 4383 1 9 . 1 1 661 661 GLN C C 661 179.682 179.682 178.236 1.446 18694 4384 1 9 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.076 0.792 18694 4385 1 9 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.465 -0.404 18694 4386 1 9 . 1 1 661 661 GLN H H 661 8.554 8.554 8.022 0.532 18694 4387 1 9 . 1 1 662 662 LYS N N 662 119.532 119.532 120.348 -0.816 18694 4388 1 9 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.796 0.165 18694 4389 1 9 . 1 1 662 662 LYS C C 662 178.745 178.745 178.520 0.225 18694 4390 1 9 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.711 -1.190 18694 4391 1 9 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.119 -0.497 18694 4392 1 9 . 1 1 662 662 LYS H H 662 8.110 8.110 8.146 -0.036 18694 4393 1 9 . 1 1 663 663 GLU N N 663 121.313 121.313 119.484 1.829 18694 4394 1 9 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.007 0.014 18694 4395 1 9 . 1 1 663 663 GLU C C 663 179.429 179.429 179.274 0.155 18694 4396 1 9 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.164 0.329 18694 4397 1 9 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.291 -0.127 18694 4398 1 9 . 1 1 663 663 GLU H H 663 8.011 8.011 7.984 0.027 18694 4399 1 9 . 1 1 664 664 LEU N N 664 119.460 119.460 119.130 0.330 18694 4400 1 9 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.926 -0.008 18694 4401 1 9 . 1 1 664 664 LEU C C 664 178.785 178.785 179.380 -0.595 18694 4402 1 9 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.146 0.028 18694 4403 1 9 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.546 0.359 18694 4404 1 9 . 1 1 664 664 LEU H H 664 8.342 8.342 8.414 -0.072 18694 4405 1 9 . 1 1 665 665 GLU N N 665 118.822 118.822 119.069 -0.247 18694 4406 1 9 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.995 -0.022 18694 4407 1 9 . 1 1 665 665 GLU C C 665 179.161 179.161 178.883 0.278 18694 4408 1 9 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.105 -0.290 18694 4409 1 9 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.306 -0.173 18694 4410 1 9 . 1 1 665 665 GLU H H 665 8.018 8.018 7.714 0.304 18694 4411 1 9 . 1 1 666 666 GLU N N 666 118.722 118.722 118.563 0.159 18694 4412 1 9 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.018 -0.046 18694 4413 1 9 . 1 1 666 666 GLU C C 666 179.536 179.536 178.585 0.951 18694 4414 1 9 . 1 1 666 666 GLU CA C 666 58.910 58.910 58.893 0.017 18694 4415 1 9 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.878 -0.997 18694 4416 1 9 . 1 1 666 666 GLU H H 666 8.014 8.014 8.321 -0.307 18694 4417 1 9 . 1 1 667 667 LYS N N 667 119.177 119.177 116.797 2.380 18694 4418 1 9 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.072 0.069 18694 4419 1 9 . 1 1 667 667 LYS C C 667 179.425 179.425 179.052 0.373 18694 4420 1 9 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.750 -1.367 18694 4421 1 9 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.175 -0.170 18694 4422 1 9 . 1 1 667 667 LYS H H 667 8.056 8.056 8.118 -0.062 18694 4423 1 9 . 1 1 668 668 ARG N N 668 119.491 119.491 120.176 -0.685 18694 4424 1 9 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.325 -0.366 18694 4425 1 9 . 1 1 668 668 ARG C C 668 178.260 178.260 178.812 -0.552 18694 4426 1 9 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.352 0.612 18694 4427 1 9 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.722 0.489 18694 4428 1 9 . 1 1 668 668 ARG H H 668 8.218 8.218 7.833 0.385 18694 4429 1 9 . 1 1 669 669 ARG N N 669 117.972 117.972 118.529 -0.557 18694 4430 1 9 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.099 0.071 18694 4431 1 9 . 1 1 669 669 ARG C C 669 177.325 177.325 177.255 0.070 18694 4432 1 9 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.900 -1.349 18694 4433 1 9 . 1 1 669 669 ARG CB C 669 30.109 30.109 29.669 0.440 18694 4434 1 9 . 1 1 669 669 ARG H H 669 7.793 7.793 8.183 -0.390 18694 4435 1 9 . 1 1 670 670 SER N N 670 114.336 114.336 112.866 1.470 18694 4436 1 9 . 1 1 670 670 SER HA H 670 4.410 4.410 4.391 0.019 18694 4437 1 9 . 1 1 670 670 SER C C 670 174.266 174.266 174.808 -0.542 18694 4438 1 9 . 1 1 670 670 SER CA C 670 58.946 58.946 59.716 -0.770 18694 4439 1 9 . 1 1 670 670 SER CB C 670 63.814 63.814 65.120 -1.306 18694 4440 1 9 . 1 1 670 670 SER H H 670 7.794 7.794 7.612 0.182 18694 4441 1 9 . 1 1 671 671 ARG N N 671 122.062 122.062 120.725 1.337 18694 4442 1 9 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.417 -0.070 18694 4443 1 9 . 1 1 671 671 ARG C C 671 175.272 175.272 174.510 0.762 18694 4444 1 9 . 1 1 671 671 ARG CA C 671 56.121 56.121 55.975 0.146 18694 4445 1 9 . 1 1 671 671 ARG CB C 671 30.507 30.507 29.126 1.381 18694 4446 1 9 . 1 1 671 671 ARG H H 671 7.740 7.740 7.961 -0.221 18694 4447 1 10 . 1 1 587 587 VAL N N 587 119.752 119.752 116.222 3.530 18694 4448 1 10 . 1 1 587 587 VAL HA H 587 4.098 4.098 3.693 0.405 18694 4449 1 10 . 1 1 587 587 VAL C C 587 176.340 176.340 175.580 0.760 18694 4450 1 10 . 1 1 587 587 VAL CA C 587 62.229 62.229 63.497 -1.268 18694 4451 1 10 . 1 1 587 587 VAL CB C 587 32.782 32.782 31.828 0.955 18694 4452 1 10 . 1 1 587 587 VAL H H 587 8.027 8.027 8.145 -0.118 18694 4453 1 10 . 1 1 588 588 ARG N N 588 125.669 125.669 120.465 5.204 18694 4454 1 10 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.090 0.232 18694 4455 1 10 . 1 1 588 588 ARG C C 588 176.109 176.109 175.983 0.126 18694 4456 1 10 . 1 1 588 588 ARG CA C 588 56.167 56.167 57.366 -1.199 18694 4457 1 10 . 1 1 588 588 ARG CB C 588 30.651 30.651 29.833 0.818 18694 4458 1 10 . 1 1 588 588 ARG H H 588 8.528 8.528 8.386 0.142 18694 4459 1 10 . 1 1 589 589 LYS N N 589 121.018 121.018 120.840 0.178 18694 4460 1 10 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.918 0.268 18694 4461 1 10 . 1 1 589 589 LYS C C 589 177.598 177.598 175.885 1.713 18694 4462 1 10 . 1 1 589 589 LYS CA C 589 54.923 54.923 56.937 -2.014 18694 4463 1 10 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.271 0.318 18694 4464 1 10 . 1 1 589 589 LYS H H 589 8.116 8.116 7.759 0.357 18694 4465 1 10 . 1 1 590 590 GLY N N 590 112.531 112.531 111.627 0.904 18694 4466 1 10 . 1 1 590 590 GLY C C 590 176.465 176.465 173.666 2.799 18694 4467 1 10 . 1 1 590 590 GLY CA C 590 47.196 47.196 43.841 3.355 18694 4468 1 10 . 1 1 590 590 GLY H H 590 8.669 8.669 7.524 1.145 18694 4469 1 10 . 1 1 591 591 TRP N N 591 119.435 119.435 123.320 -3.885 18694 4470 1 10 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.188 0.317 18694 4471 1 10 . 1 1 591 591 TRP C C 591 178.177 178.177 176.452 1.725 18694 4472 1 10 . 1 1 591 591 TRP CA C 591 58.128 58.128 58.150 -0.022 18694 4473 1 10 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.278 -0.524 18694 4474 1 10 . 1 1 591 591 TRP H H 591 8.026 8.026 7.228 0.798 18694 4475 1 10 . 1 1 592 592 HIS N N 592 119.340 119.340 116.561 2.779 18694 4476 1 10 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.729 -1.228 18694 4477 1 10 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.167 -0.889 18694 4478 1 10 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.025 -1.541 18694 4479 1 10 . 1 1 592 592 HIS H H 592 7.165 7.165 8.476 -1.311 18694 4480 1 10 . 1 1 593 593 GLU N N 593 116.536 116.536 119.257 -2.721 18694 4481 1 10 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.295 -0.315 18694 4482 1 10 . 1 1 593 593 GLU C C 593 176.675 176.675 176.775 -0.100 18694 4483 1 10 . 1 1 593 593 GLU CA C 593 58.108 58.108 57.495 0.613 18694 4484 1 10 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.719 -0.539 18694 4485 1 10 . 1 1 593 593 GLU H H 593 7.726 7.726 8.350 -0.624 18694 4486 1 10 . 1 1 594 594 HIS N N 594 112.885 112.885 114.426 -1.541 18694 4487 1 10 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.825 0.125 18694 4488 1 10 . 1 1 594 594 HIS CA C 594 54.264 54.264 54.803 -0.539 18694 4489 1 10 . 1 1 594 594 HIS CB C 594 29.182 29.182 30.253 -1.071 18694 4490 1 10 . 1 1 594 594 HIS H H 594 7.530 7.530 7.700 -0.170 18694 4491 1 10 . 1 1 595 595 VAL N N 595 120.678 120.678 121.278 -0.600 18694 4492 1 10 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.381 0.119 18694 4493 1 10 . 1 1 595 595 VAL C C 595 174.593 174.593 175.418 -0.825 18694 4494 1 10 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.099 0.944 18694 4495 1 10 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.586 -2.224 18694 4496 1 10 . 1 1 595 595 VAL H H 595 7.492 7.492 7.685 -0.193 18694 4497 1 10 . 1 1 596 596 THR N N 596 115.525 115.525 119.349 -3.824 18694 4498 1 10 . 1 1 596 596 THR HA H 596 4.494 4.494 4.599 -0.105 18694 4499 1 10 . 1 1 596 596 THR C C 596 175.419 175.419 175.857 -0.438 18694 4500 1 10 . 1 1 596 596 THR CA C 596 60.001 60.001 60.947 -0.946 18694 4501 1 10 . 1 1 596 596 THR CB C 596 71.072 71.072 70.855 0.217 18694 4502 1 10 . 1 1 596 596 THR H H 596 7.583 7.583 8.115 -0.532 18694 4503 1 10 . 1 1 597 597 GLN N N 597 120.346 120.346 125.364 -5.018 18694 4504 1 10 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.081 -0.263 18694 4505 1 10 . 1 1 597 597 GLN C C 597 178.079 178.079 177.421 0.658 18694 4506 1 10 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.353 -0.599 18694 4507 1 10 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.570 -0.558 18694 4508 1 10 . 1 1 597 597 GLN H H 597 8.929 8.929 8.892 0.037 18694 4509 1 10 . 1 1 598 598 ASP N N 598 117.842 117.842 120.351 -2.509 18694 4510 1 10 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.420 -0.080 18694 4511 1 10 . 1 1 598 598 ASP C C 598 178.494 178.494 178.681 -0.187 18694 4512 1 10 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.489 -0.596 18694 4513 1 10 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.587 -0.054 18694 4514 1 10 . 1 1 598 598 ASP H H 598 8.382 8.382 7.840 0.542 18694 4515 1 10 . 1 1 599 599 LEU N N 599 123.174 123.174 120.244 2.930 18694 4516 1 10 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.036 0.207 18694 4517 1 10 . 1 1 599 599 LEU C C 599 179.129 179.129 178.479 0.650 18694 4518 1 10 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.742 0.701 18694 4519 1 10 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.718 -0.084 18694 4520 1 10 . 1 1 599 599 LEU H H 599 7.671 7.671 7.979 -0.308 18694 4521 1 10 . 1 1 600 600 ARG N N 600 118.132 118.132 118.612 -0.480 18694 4522 1 10 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.159 0.163 18694 4523 1 10 . 1 1 600 600 ARG C C 600 179.103 179.103 179.059 0.044 18694 4524 1 10 . 1 1 600 600 ARG CA C 600 60.396 60.396 58.666 1.730 18694 4525 1 10 . 1 1 600 600 ARG CB C 600 30.520 30.520 29.847 0.673 18694 4526 1 10 . 1 1 600 600 ARG H H 600 7.768 7.768 7.672 0.096 18694 4527 1 10 . 1 1 601 601 SER N N 601 112.865 112.865 114.781 -1.916 18694 4528 1 10 . 1 1 601 601 SER HA H 601 4.134 4.134 4.019 0.115 18694 4529 1 10 . 1 1 601 601 SER C C 601 177.665 177.665 176.194 1.471 18694 4530 1 10 . 1 1 601 601 SER CA C 601 61.534 61.534 61.672 -0.138 18694 4531 1 10 . 1 1 601 601 SER CB C 601 62.758 62.758 62.774 -0.016 18694 4532 1 10 . 1 1 601 601 SER H H 601 8.501 8.501 8.490 0.011 18694 4533 1 10 . 1 1 602 602 HIS N N 602 121.543 121.543 123.483 -1.940 18694 4534 1 10 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.332 0.161 18694 4535 1 10 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.208 -1.299 18694 4536 1 10 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.021 -1.932 18694 4537 1 10 . 1 1 602 602 HIS H H 602 8.098 8.098 8.321 -0.223 18694 4538 1 10 . 1 1 603 603 LEU N N 603 122.394 122.394 118.617 3.777 18694 4539 1 10 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.956 0.072 18694 4540 1 10 . 1 1 603 603 LEU C C 603 179.275 179.275 178.817 0.458 18694 4541 1 10 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.881 0.216 18694 4542 1 10 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.652 -1.430 18694 4543 1 10 . 1 1 603 603 LEU H H 603 8.293 8.293 7.689 0.604 18694 4544 1 10 . 1 1 604 604 VAL N N 604 120.325 120.325 119.941 0.384 18694 4545 1 10 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.447 -0.019 18694 4546 1 10 . 1 1 604 604 VAL C C 604 178.026 178.026 177.978 0.048 18694 4547 1 10 . 1 1 604 604 VAL CA C 604 67.892 67.892 67.013 0.879 18694 4548 1 10 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.448 0.155 18694 4549 1 10 . 1 1 604 604 VAL H H 604 8.409 8.409 7.391 1.018 18694 4550 1 10 . 1 1 605 605 HIS N N 605 116.275 116.275 118.524 -2.249 18694 4551 1 10 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.173 0.079 18694 4552 1 10 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.687 -0.596 18694 4553 1 10 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.459 -1.579 18694 4554 1 10 . 1 1 605 605 HIS H H 605 7.908 7.908 7.781 0.127 18694 4555 1 10 . 1 1 606 606 LYS N N 606 119.506 119.506 120.406 -0.900 18694 4556 1 10 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.949 0.324 18694 4557 1 10 . 1 1 606 606 LYS C C 606 178.947 178.947 178.920 0.027 18694 4558 1 10 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.693 -0.889 18694 4559 1 10 . 1 1 606 606 LYS H H 606 8.092 8.092 7.681 0.411 18694 4560 1 10 . 1 1 607 607 LEU N N 607 121.321 121.321 121.439 -0.118 18694 4561 1 10 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.990 -0.032 18694 4562 1 10 . 1 1 607 607 LEU C C 607 177.899 177.899 178.556 -0.657 18694 4563 1 10 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.890 0.936 18694 4564 1 10 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.100 0.423 18694 4565 1 10 . 1 1 607 607 LEU H H 607 7.994 7.994 7.888 0.106 18694 4566 1 10 . 1 1 608 608 VAL N N 608 118.191 118.191 119.144 -0.953 18694 4567 1 10 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.561 -0.214 18694 4568 1 10 . 1 1 608 608 VAL C C 608 177.033 177.033 178.132 -1.099 18694 4569 1 10 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.542 1.401 18694 4570 1 10 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.668 -0.016 18694 4571 1 10 . 1 1 608 608 VAL H H 608 8.036 8.036 7.937 0.099 18694 4572 1 10 . 1 1 609 609 GLN N N 609 116.772 116.772 120.013 -3.241 18694 4573 1 10 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.170 -0.282 18694 4574 1 10 . 1 1 609 609 GLN C C 609 176.992 176.992 177.884 -0.892 18694 4575 1 10 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.393 -0.285 18694 4576 1 10 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.355 0.798 18694 4577 1 10 . 1 1 609 609 GLN H H 609 8.108 8.108 8.546 -0.438 18694 4578 1 10 . 1 1 610 610 ALA N N 610 119.316 119.316 120.523 -1.207 18694 4579 1 10 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.181 -0.148 18694 4580 1 10 . 1 1 610 610 ALA C C 610 178.498 178.498 178.809 -0.311 18694 4581 1 10 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.581 -0.804 18694 4582 1 10 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.457 0.935 18694 4583 1 10 . 1 1 610 610 ALA H H 610 7.756 7.756 7.870 -0.114 18694 4584 1 10 . 1 1 611 611 ILE N N 611 115.839 115.839 116.177 -0.338 18694 4585 1 10 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.029 -0.354 18694 4586 1 10 . 1 1 611 611 ILE C C 611 174.299 174.299 176.648 -2.349 18694 4587 1 10 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.517 0.208 18694 4588 1 10 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.899 0.407 18694 4589 1 10 . 1 1 611 611 ILE H H 611 7.498 7.498 7.374 0.124 18694 4590 1 10 . 1 1 612 612 PHE N N 612 116.531 116.531 119.688 -3.157 18694 4591 1 10 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.999 0.097 18694 4592 1 10 . 1 1 612 612 PHE C C 612 171.610 171.610 173.296 -1.686 18694 4593 1 10 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.638 -2.922 18694 4594 1 10 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.090 -1.408 18694 4595 1 10 . 1 1 612 612 PHE H H 612 8.235 8.235 7.812 0.423 18694 4596 1 10 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.680 -0.107 18694 4597 1 10 . 1 1 613 613 PRO C C 613 178.269 178.269 176.398 1.871 18694 4598 1 10 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.783 0.995 18694 4599 1 10 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.438 1.006 18694 4600 1 10 . 1 1 614 614 THR N N 614 109.561 109.561 113.032 -3.471 18694 4601 1 10 . 1 1 614 614 THR HA H 614 4.470 4.470 4.286 0.184 18694 4602 1 10 . 1 1 614 614 THR C C 614 172.048 172.048 172.497 -0.449 18694 4603 1 10 . 1 1 614 614 THR CA C 614 58.106 58.106 59.364 -1.258 18694 4604 1 10 . 1 1 614 614 THR CB C 614 69.549 69.549 68.398 1.151 18694 4605 1 10 . 1 1 614 614 THR H H 614 8.025 8.025 7.397 0.628 18694 4606 1 10 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.488 -0.498 18694 4607 1 10 . 1 1 615 615 PRO C C 615 176.462 176.462 175.876 0.586 18694 4608 1 10 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.055 0.637 18694 4609 1 10 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.491 0.811 18694 4610 1 10 . 1 1 616 616 ASP N N 616 122.743 122.743 123.346 -0.603 18694 4611 1 10 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.601 0.152 18694 4612 1 10 . 1 1 616 616 ASP C C 616 174.226 174.226 176.871 -2.645 18694 4613 1 10 . 1 1 616 616 ASP CA C 616 51.858 51.858 52.084 -0.226 18694 4614 1 10 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.794 -2.864 18694 4615 1 10 . 1 1 616 616 ASP H H 616 8.145 8.145 7.679 0.466 18694 4616 1 10 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.234 -0.124 18694 4617 1 10 . 1 1 617 617 PRO C C 617 178.885 178.885 176.950 1.935 18694 4618 1 10 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.847 1.168 18694 4619 1 10 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.986 -0.052 18694 4620 1 10 . 1 1 618 618 ALA N N 618 118.548 118.548 120.125 -1.577 18694 4621 1 10 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.295 -0.212 18694 4622 1 10 . 1 1 618 618 ALA C C 618 180.518 180.518 179.905 0.613 18694 4623 1 10 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.857 0.865 18694 4624 1 10 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.800 -0.609 18694 4625 1 10 . 1 1 618 618 ALA H H 618 8.093 8.093 7.918 0.175 18694 4626 1 10 . 1 1 619 619 ALA N N 619 122.623 122.623 122.577 0.046 18694 4627 1 10 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.127 0.198 18694 4628 1 10 . 1 1 619 619 ALA C C 619 179.318 179.318 180.059 -0.741 18694 4629 1 10 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.735 -0.050 18694 4630 1 10 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.435 0.220 18694 4631 1 10 . 1 1 619 619 ALA H H 619 8.039 8.039 8.877 -0.838 18694 4632 1 10 . 1 1 620 620 LEU N N 620 114.041 114.041 116.687 -2.646 18694 4633 1 10 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.262 -0.215 18694 4634 1 10 . 1 1 620 620 LEU C C 620 178.288 178.288 177.807 0.481 18694 4635 1 10 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.967 0.172 18694 4636 1 10 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.614 0.533 18694 4637 1 10 . 1 1 620 620 LEU H H 620 7.606 7.606 8.135 -0.529 18694 4638 1 10 . 1 1 621 621 LYS N N 621 115.255 115.255 116.345 -1.090 18694 4639 1 10 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.349 -0.012 18694 4640 1 10 . 1 1 621 621 LYS C C 621 175.867 175.867 175.448 0.419 18694 4641 1 10 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.380 0.073 18694 4642 1 10 . 1 1 621 621 LYS CB C 621 32.881 32.881 33.006 -0.125 18694 4643 1 10 . 1 1 621 621 LYS H H 621 7.272 7.272 7.505 -0.233 18694 4644 1 10 . 1 1 622 622 ASP N N 622 123.382 123.382 120.633 2.749 18694 4645 1 10 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.682 -0.189 18694 4646 1 10 . 1 1 622 622 ASP C C 622 178.117 178.117 176.884 1.233 18694 4647 1 10 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.929 0.954 18694 4648 1 10 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.547 1.440 18694 4649 1 10 . 1 1 622 622 ASP H H 622 7.454 7.454 7.604 -0.150 18694 4650 1 10 . 1 1 623 623 ARG N N 623 130.356 130.356 126.513 3.843 18694 4651 1 10 . 1 1 623 623 ARG HA H 623 4.087 4.087 3.967 0.120 18694 4652 1 10 . 1 1 623 623 ARG C C 623 178.321 178.321 177.977 0.344 18694 4653 1 10 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.400 0.389 18694 4654 1 10 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.889 -0.378 18694 4655 1 10 . 1 1 623 623 ARG H H 623 9.107 9.107 8.842 0.265 18694 4656 1 10 . 1 1 624 624 ARG N N 624 119.125 119.125 119.663 -0.538 18694 4657 1 10 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.029 -0.195 18694 4658 1 10 . 1 1 624 624 ARG C C 624 178.521 178.521 178.331 0.190 18694 4659 1 10 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.936 -0.257 18694 4660 1 10 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.787 -1.688 18694 4661 1 10 . 1 1 624 624 ARG H H 624 9.582 9.582 7.781 1.801 18694 4662 1 10 . 1 1 625 625 MET N N 625 120.202 120.202 119.349 0.853 18694 4663 1 10 . 1 1 625 625 MET HA H 625 4.527 4.527 4.146 0.381 18694 4664 1 10 . 1 1 625 625 MET C C 625 178.749 178.749 177.985 0.764 18694 4665 1 10 . 1 1 625 625 MET CA C 625 56.796 56.796 58.936 -2.140 18694 4666 1 10 . 1 1 625 625 MET CB C 625 30.890 30.890 32.347 -1.457 18694 4667 1 10 . 1 1 625 625 MET H H 625 7.953 7.953 7.720 0.233 18694 4668 1 10 . 1 1 626 626 GLU N N 626 117.897 117.897 118.915 -1.018 18694 4669 1 10 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.943 0.117 18694 4670 1 10 . 1 1 626 626 GLU C C 626 179.640 179.640 179.290 0.350 18694 4671 1 10 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.543 -0.563 18694 4672 1 10 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.645 -0.113 18694 4673 1 10 . 1 1 626 626 GLU H H 626 7.431 7.431 7.806 -0.375 18694 4674 1 10 . 1 1 627 627 ASN N N 627 117.950 117.950 118.107 -0.157 18694 4675 1 10 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.473 0.016 18694 4676 1 10 . 1 1 627 627 ASN C C 627 177.540 177.540 177.960 -0.420 18694 4677 1 10 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.962 -0.164 18694 4678 1 10 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.624 -1.120 18694 4679 1 10 . 1 1 627 627 ASN H H 627 7.442 7.442 7.669 -0.227 18694 4680 1 10 . 1 1 628 628 LEU N N 628 124.396 124.396 119.593 4.803 18694 4681 1 10 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.241 -0.052 18694 4682 1 10 . 1 1 628 628 LEU C C 628 177.838 177.838 178.582 -0.744 18694 4683 1 10 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.246 1.096 18694 4684 1 10 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.490 0.210 18694 4685 1 10 . 1 1 628 628 LEU H H 628 7.873 7.873 7.552 0.321 18694 4686 1 10 . 1 1 629 629 VAL N N 629 120.503 120.503 119.926 0.577 18694 4687 1 10 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.658 -0.175 18694 4688 1 10 . 1 1 629 629 VAL C C 629 177.552 177.552 178.301 -0.749 18694 4689 1 10 . 1 1 629 629 VAL CA C 629 67.225 67.225 65.896 1.329 18694 4690 1 10 . 1 1 629 629 VAL CB C 629 31.687 31.687 30.636 1.051 18694 4691 1 10 . 1 1 629 629 VAL H H 629 8.246 8.246 8.260 -0.014 18694 4692 1 10 . 1 1 630 630 ALA N N 630 120.687 120.687 123.560 -2.873 18694 4693 1 10 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.956 0.076 18694 4694 1 10 . 1 1 630 630 ALA C C 630 180.849 180.849 178.955 1.894 18694 4695 1 10 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.262 0.152 18694 4696 1 10 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.270 -0.178 18694 4697 1 10 . 1 1 630 630 ALA H H 630 8.159 8.159 8.320 -0.161 18694 4698 1 10 . 1 1 631 631 TYR N N 631 121.083 121.083 120.050 1.033 18694 4699 1 10 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.026 0.213 18694 4700 1 10 . 1 1 631 631 TYR C C 631 177.591 177.591 176.915 0.676 18694 4701 1 10 . 1 1 631 631 TYR CA C 631 61.311 61.311 61.301 0.010 18694 4702 1 10 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.003 0.216 18694 4703 1 10 . 1 1 631 631 TYR H H 631 8.102 8.102 8.069 0.033 18694 4704 1 10 . 1 1 632 632 ALA N N 632 122.444 122.444 120.982 1.462 18694 4705 1 10 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.868 -0.186 18694 4706 1 10 . 1 1 632 632 ALA C C 632 179.014 179.014 179.771 -0.757 18694 4707 1 10 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.179 0.163 18694 4708 1 10 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.098 1.726 18694 4709 1 10 . 1 1 632 632 ALA H H 632 8.292 8.292 7.682 0.610 18694 4710 1 10 . 1 1 633 633 LYS N N 633 115.912 115.912 118.671 -2.759 18694 4711 1 10 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.265 -0.255 18694 4712 1 10 . 1 1 633 633 LYS C C 633 180.004 180.004 179.500 0.504 18694 4713 1 10 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.388 1.316 18694 4714 1 10 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.723 0.944 18694 4715 1 10 . 1 1 633 633 LYS H H 633 8.548 8.548 7.925 0.623 18694 4716 1 10 . 1 1 634 634 LYS N N 634 123.870 123.870 120.058 3.812 18694 4717 1 10 . 1 1 634 634 LYS HA H 634 4.012 4.012 4.010 0.002 18694 4718 1 10 . 1 1 634 634 LYS C C 634 178.603 178.603 179.020 -0.417 18694 4719 1 10 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.177 -0.075 18694 4720 1 10 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.075 -0.286 18694 4721 1 10 . 1 1 634 634 LYS H H 634 7.943 7.943 8.115 -0.172 18694 4722 1 10 . 1 1 635 635 VAL N N 635 119.215 119.215 119.180 0.035 18694 4723 1 10 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.396 0.280 18694 4724 1 10 . 1 1 635 635 VAL C C 635 178.574 178.574 177.186 1.388 18694 4725 1 10 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.104 -1.004 18694 4726 1 10 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.451 0.160 18694 4727 1 10 . 1 1 635 635 VAL H H 635 8.165 8.165 8.073 0.092 18694 4728 1 10 . 1 1 636 636 GLU N N 636 120.094 120.094 119.480 0.614 18694 4729 1 10 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.035 -0.173 18694 4730 1 10 . 1 1 636 636 GLU C C 636 178.666 178.666 179.502 -0.836 18694 4731 1 10 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.677 2.012 18694 4732 1 10 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.912 -0.193 18694 4733 1 10 . 1 1 636 636 GLU H H 636 8.331 8.331 8.473 -0.142 18694 4734 1 10 . 1 1 637 637 GLY N N 637 106.839 106.839 108.718 -1.879 18694 4735 1 10 . 1 1 637 637 GLY C C 637 176.614 176.614 175.692 0.922 18694 4736 1 10 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.741 0.596 18694 4737 1 10 . 1 1 637 637 GLY H H 637 8.145 8.145 8.157 -0.012 18694 4738 1 10 . 1 1 638 638 ASP N N 638 122.731 122.731 123.211 -0.480 18694 4739 1 10 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.416 0.127 18694 4740 1 10 . 1 1 638 638 ASP C C 638 180.109 180.109 179.108 1.001 18694 4741 1 10 . 1 1 638 638 ASP CA C 638 56.894 56.894 57.026 -0.132 18694 4742 1 10 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.160 -1.072 18694 4743 1 10 . 1 1 638 638 ASP H H 638 8.338 8.338 8.279 0.059 18694 4744 1 10 . 1 1 639 639 MET N N 639 121.055 121.055 118.430 2.625 18694 4745 1 10 . 1 1 639 639 MET HA H 639 4.389 4.389 4.188 0.201 18694 4746 1 10 . 1 1 639 639 MET C C 639 177.737 177.737 178.171 -0.434 18694 4747 1 10 . 1 1 639 639 MET CA C 639 58.675 58.675 56.888 1.787 18694 4748 1 10 . 1 1 639 639 MET CB C 639 32.530 32.530 31.184 1.346 18694 4749 1 10 . 1 1 639 639 MET H H 639 8.193 8.193 8.619 -0.426 18694 4750 1 10 . 1 1 640 640 TYR N N 640 121.235 121.235 120.096 1.139 18694 4751 1 10 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.831 0.467 18694 4752 1 10 . 1 1 640 640 TYR C C 640 178.311 178.311 176.529 1.782 18694 4753 1 10 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.130 0.777 18694 4754 1 10 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.916 1.034 18694 4755 1 10 . 1 1 640 640 TYR H H 640 9.328 9.328 7.747 1.581 18694 4756 1 10 . 1 1 641 641 GLU N N 641 115.098 115.098 116.890 -1.792 18694 4757 1 10 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.988 0.378 18694 4758 1 10 . 1 1 641 641 GLU C C 641 178.006 178.006 179.201 -1.195 18694 4759 1 10 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.748 -1.302 18694 4760 1 10 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.265 0.437 18694 4761 1 10 . 1 1 641 641 GLU H H 641 8.079 8.079 7.607 0.472 18694 4762 1 10 . 1 1 642 642 SER N N 642 112.869 112.869 115.460 -2.591 18694 4763 1 10 . 1 1 642 642 SER HA H 642 4.394 4.394 4.278 0.116 18694 4764 1 10 . 1 1 642 642 SER C C 642 175.251 175.251 176.400 -1.149 18694 4765 1 10 . 1 1 642 642 SER CA C 642 60.175 60.175 60.741 -0.566 18694 4766 1 10 . 1 1 642 642 SER CB C 642 64.388 64.388 62.964 1.424 18694 4767 1 10 . 1 1 642 642 SER H H 642 7.968 7.968 7.647 0.321 18694 4768 1 10 . 1 1 643 643 ALA N N 643 123.763 123.763 122.974 0.789 18694 4769 1 10 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.206 0.021 18694 4770 1 10 . 1 1 643 643 ALA C C 643 177.897 177.897 176.894 1.003 18694 4771 1 10 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.810 -0.211 18694 4772 1 10 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.125 2.567 18694 4773 1 10 . 1 1 643 643 ALA H H 643 8.096 8.096 8.212 -0.116 18694 4774 1 10 . 1 1 644 644 ASN N N 644 117.176 117.176 116.663 0.513 18694 4775 1 10 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.421 0.689 18694 4776 1 10 . 1 1 644 644 ASN C C 644 173.978 173.978 174.386 -0.408 18694 4777 1 10 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.770 -0.416 18694 4778 1 10 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.988 1.231 18694 4779 1 10 . 1 1 644 644 ASN H H 644 9.102 9.102 8.035 1.067 18694 4780 1 10 . 1 1 645 645 SER N N 645 111.225 111.225 113.204 -1.979 18694 4781 1 10 . 1 1 645 645 SER HA H 645 3.632 3.632 4.789 -1.157 18694 4782 1 10 . 1 1 645 645 SER C C 645 171.965 171.965 174.372 -2.407 18694 4783 1 10 . 1 1 645 645 SER CA C 645 56.522 56.522 57.427 -0.905 18694 4784 1 10 . 1 1 645 645 SER CB C 645 64.968 64.968 66.134 -1.166 18694 4785 1 10 . 1 1 645 645 SER H H 645 6.865 6.865 7.333 -0.468 18694 4786 1 10 . 1 1 646 646 ARG N N 646 121.944 121.944 125.409 -3.465 18694 4787 1 10 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.193 -1.007 18694 4788 1 10 . 1 1 646 646 ARG C C 646 177.709 177.709 178.382 -0.673 18694 4789 1 10 . 1 1 646 646 ARG CA C 646 59.031 59.031 60.022 -0.991 18694 4790 1 10 . 1 1 646 646 ARG CB C 646 30.253 30.253 30.044 0.209 18694 4791 1 10 . 1 1 646 646 ARG H H 646 8.685 8.685 8.968 -0.283 18694 4792 1 10 . 1 1 647 647 ASP N N 647 116.817 116.817 117.995 -1.178 18694 4793 1 10 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.469 -0.174 18694 4794 1 10 . 1 1 647 647 ASP C C 647 178.860 178.860 178.449 0.411 18694 4795 1 10 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.650 -0.525 18694 4796 1 10 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.391 -0.102 18694 4797 1 10 . 1 1 647 647 ASP H H 647 8.119 8.119 8.503 -0.384 18694 4798 1 10 . 1 1 648 648 GLU N N 648 121.231 121.231 120.372 0.859 18694 4799 1 10 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.180 -0.190 18694 4800 1 10 . 1 1 648 648 GLU C C 648 177.064 177.064 178.345 -1.281 18694 4801 1 10 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.135 0.127 18694 4802 1 10 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.270 0.868 18694 4803 1 10 . 1 1 648 648 GLU H H 648 7.799 7.799 8.305 -0.506 18694 4804 1 10 . 1 1 649 649 TYR N N 649 122.045 122.045 121.379 0.666 18694 4805 1 10 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.158 -0.159 18694 4806 1 10 . 1 1 649 649 TYR C C 649 176.140 176.140 177.790 -1.650 18694 4807 1 10 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.120 0.549 18694 4808 1 10 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.161 0.796 18694 4809 1 10 . 1 1 649 649 TYR H H 649 7.338 7.338 8.235 -0.897 18694 4810 1 10 . 1 1 650 650 TYR N N 650 115.581 115.581 116.479 -0.898 18694 4811 1 10 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.020 -0.021 18694 4812 1 10 . 1 1 650 650 TYR C C 650 179.058 179.058 178.229 0.829 18694 4813 1 10 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.667 -2.174 18694 4814 1 10 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.865 -0.223 18694 4815 1 10 . 1 1 650 650 TYR H H 650 8.072 8.072 8.010 0.062 18694 4816 1 10 . 1 1 651 651 HIS N N 651 118.435 118.435 119.385 -0.950 18694 4817 1 10 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.323 -0.010 18694 4818 1 10 . 1 1 651 651 HIS CA C 651 59.303 59.303 59.551 -0.248 18694 4819 1 10 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.031 -1.775 18694 4820 1 10 . 1 1 651 651 HIS H H 651 8.311 8.311 7.618 0.693 18694 4821 1 10 . 1 1 652 652 LEU N N 652 121.135 121.135 119.601 1.534 18694 4822 1 10 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.755 0.238 18694 4823 1 10 . 1 1 652 652 LEU C C 652 180.822 180.822 179.173 1.649 18694 4824 1 10 . 1 1 652 652 LEU CA C 652 57.893 57.893 57.950 -0.057 18694 4825 1 10 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.767 0.269 18694 4826 1 10 . 1 1 652 652 LEU H H 652 9.141 9.141 8.123 1.018 18694 4827 1 10 . 1 1 653 653 LEU N N 653 120.947 120.947 118.736 2.211 18694 4828 1 10 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.879 -0.046 18694 4829 1 10 . 1 1 653 653 LEU C C 653 178.085 178.085 178.893 -0.808 18694 4830 1 10 . 1 1 653 653 LEU CA C 653 58.338 58.338 57.978 0.360 18694 4831 1 10 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.363 0.523 18694 4832 1 10 . 1 1 653 653 LEU H H 653 7.769 7.769 7.409 0.360 18694 4833 1 10 . 1 1 654 654 ALA N N 654 120.863 120.863 121.338 -0.475 18694 4834 1 10 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.908 -0.024 18694 4835 1 10 . 1 1 654 654 ALA C C 654 180.274 180.274 179.484 0.790 18694 4836 1 10 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.269 0.087 18694 4837 1 10 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.894 0.296 18694 4838 1 10 . 1 1 654 654 ALA H H 654 8.111 8.111 8.125 -0.014 18694 4839 1 10 . 1 1 655 655 GLU N N 655 118.047 118.047 118.636 -0.589 18694 4840 1 10 . 1 1 655 655 GLU HA H 655 4.018 4.018 4.020 -0.002 18694 4841 1 10 . 1 1 655 655 GLU C C 655 178.311 178.311 179.019 -0.708 18694 4842 1 10 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.637 -0.558 18694 4843 1 10 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.463 -0.049 18694 4844 1 10 . 1 1 655 655 GLU H H 655 8.363 8.363 8.080 0.283 18694 4845 1 10 . 1 1 656 656 LYS N N 656 120.122 120.122 118.433 1.689 18694 4846 1 10 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.119 -0.069 18694 4847 1 10 . 1 1 656 656 LYS C C 656 178.388 178.388 179.204 -0.816 18694 4848 1 10 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.534 -0.405 18694 4849 1 10 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.181 -0.770 18694 4850 1 10 . 1 1 656 656 LYS H H 656 7.852 7.852 7.386 0.466 18694 4851 1 10 . 1 1 657 657 ILE N N 657 118.294 118.294 120.076 -1.782 18694 4852 1 10 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.724 -0.333 18694 4853 1 10 . 1 1 657 657 ILE C C 657 177.061 177.061 178.098 -1.037 18694 4854 1 10 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.430 1.096 18694 4855 1 10 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.896 0.004 18694 4856 1 10 . 1 1 657 657 ILE H H 657 8.199 8.199 8.002 0.197 18694 4857 1 10 . 1 1 658 658 TYR N N 658 119.430 119.430 120.500 -1.070 18694 4858 1 10 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.074 0.229 18694 4859 1 10 . 1 1 658 658 TYR C C 658 177.869 177.869 177.448 0.421 18694 4860 1 10 . 1 1 658 658 TYR CA C 658 60.869 60.869 61.552 -0.683 18694 4861 1 10 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.221 -0.016 18694 4862 1 10 . 1 1 658 658 TYR H H 658 8.066 8.066 8.290 -0.224 18694 4863 1 10 . 1 1 659 659 LYS N N 659 118.321 118.321 119.358 -1.037 18694 4864 1 10 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.886 -0.072 18694 4865 1 10 . 1 1 659 659 LYS C C 659 180.019 180.019 179.244 0.775 18694 4866 1 10 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.048 0.812 18694 4867 1 10 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.764 0.927 18694 4868 1 10 . 1 1 659 659 LYS H H 659 8.309 8.309 7.907 0.402 18694 4869 1 10 . 1 1 660 660 ILE N N 660 121.103 121.103 120.421 0.682 18694 4870 1 10 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.695 -0.109 18694 4871 1 10 . 1 1 660 660 ILE C C 660 177.404 177.404 177.844 -0.440 18694 4872 1 10 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.294 0.782 18694 4873 1 10 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.881 0.503 18694 4874 1 10 . 1 1 660 660 ILE H H 660 8.546 8.546 7.953 0.593 18694 4875 1 10 . 1 1 661 661 GLN N N 661 118.093 118.093 118.651 -0.558 18694 4876 1 10 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.877 0.054 18694 4877 1 10 . 1 1 661 661 GLN C C 661 179.682 179.682 178.270 1.412 18694 4878 1 10 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.110 0.758 18694 4879 1 10 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.360 -0.299 18694 4880 1 10 . 1 1 661 661 GLN H H 661 8.554 8.554 7.936 0.618 18694 4881 1 10 . 1 1 662 662 LYS N N 662 119.532 119.532 120.613 -1.081 18694 4882 1 10 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.828 0.133 18694 4883 1 10 . 1 1 662 662 LYS C C 662 178.745 178.745 178.796 -0.051 18694 4884 1 10 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.728 -1.207 18694 4885 1 10 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.277 -0.655 18694 4886 1 10 . 1 1 662 662 LYS H H 662 8.110 8.110 8.062 0.048 18694 4887 1 10 . 1 1 663 663 GLU N N 663 121.313 121.313 119.977 1.336 18694 4888 1 10 . 1 1 663 663 GLU HA H 663 4.021 4.021 3.992 0.029 18694 4889 1 10 . 1 1 663 663 GLU C C 663 179.429 179.429 179.112 0.317 18694 4890 1 10 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.480 0.013 18694 4891 1 10 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.592 -0.428 18694 4892 1 10 . 1 1 663 663 GLU H H 663 8.011 8.011 7.973 0.038 18694 4893 1 10 . 1 1 664 664 LEU N N 664 119.460 119.460 119.498 -0.038 18694 4894 1 10 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.955 -0.037 18694 4895 1 10 . 1 1 664 664 LEU C C 664 178.785 178.785 179.248 -0.463 18694 4896 1 10 . 1 1 664 664 LEU CA C 664 58.174 58.174 57.974 0.200 18694 4897 1 10 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.545 0.360 18694 4898 1 10 . 1 1 664 664 LEU H H 664 8.342 8.342 8.692 -0.350 18694 4899 1 10 . 1 1 665 665 GLU N N 665 118.822 118.822 119.542 -0.720 18694 4900 1 10 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.960 0.013 18694 4901 1 10 . 1 1 665 665 GLU C C 665 179.161 179.161 178.841 0.320 18694 4902 1 10 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.304 -0.489 18694 4903 1 10 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.505 -0.372 18694 4904 1 10 . 1 1 665 665 GLU H H 665 8.018 8.018 7.686 0.332 18694 4905 1 10 . 1 1 666 666 GLU N N 666 118.722 118.722 118.595 0.127 18694 4906 1 10 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.097 -0.125 18694 4907 1 10 . 1 1 666 666 GLU C C 666 179.536 179.536 179.042 0.494 18694 4908 1 10 . 1 1 666 666 GLU CA C 666 58.910 58.910 58.682 0.228 18694 4909 1 10 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.477 -0.596 18694 4910 1 10 . 1 1 666 666 GLU H H 666 8.014 8.014 8.086 -0.072 18694 4911 1 10 . 1 1 667 667 LYS N N 667 119.177 119.177 118.713 0.464 18694 4912 1 10 . 1 1 667 667 LYS HA H 667 4.141 4.141 3.979 0.162 18694 4913 1 10 . 1 1 667 667 LYS C C 667 179.425 179.425 178.489 0.936 18694 4914 1 10 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.206 -1.823 18694 4915 1 10 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.035 -0.029 18694 4916 1 10 . 1 1 667 667 LYS H H 667 8.056 8.056 8.597 -0.541 18694 4917 1 10 . 1 1 668 668 ARG N N 668 119.491 119.491 118.956 0.535 18694 4918 1 10 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.321 -0.362 18694 4919 1 10 . 1 1 668 668 ARG C C 668 178.260 178.260 177.123 1.137 18694 4920 1 10 . 1 1 668 668 ARG CA C 668 58.964 58.964 56.669 2.295 18694 4921 1 10 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.602 0.609 18694 4922 1 10 . 1 1 668 668 ARG H H 668 8.218 8.218 7.656 0.562 18694 4923 1 10 . 1 1 669 669 ARG N N 669 117.972 117.972 118.890 -0.918 18694 4924 1 10 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.103 0.067 18694 4925 1 10 . 1 1 669 669 ARG C C 669 177.325 177.325 177.363 -0.038 18694 4926 1 10 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.727 -1.175 18694 4927 1 10 . 1 1 669 669 ARG CB C 669 30.109 30.109 29.999 0.110 18694 4928 1 10 . 1 1 669 669 ARG H H 669 7.793 7.793 7.793 -0.000 18694 4929 1 10 . 1 1 670 670 SER N N 670 114.336 114.336 111.145 3.191 18694 4930 1 10 . 1 1 670 670 SER HA H 670 4.410 4.410 4.468 -0.058 18694 4931 1 10 . 1 1 670 670 SER C C 670 174.266 174.266 174.158 0.108 18694 4932 1 10 . 1 1 670 670 SER CA C 670 58.946 58.946 58.959 -0.013 18694 4933 1 10 . 1 1 670 670 SER CB C 670 63.814 63.814 65.083 -1.269 18694 4934 1 10 . 1 1 670 670 SER H H 670 7.794 7.794 7.795 -0.001 18694 4935 1 10 . 1 1 671 671 ARG N N 671 122.062 122.062 120.364 1.698 18694 4936 1 10 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.560 -0.213 18694 4937 1 10 . 1 1 671 671 ARG C C 671 175.272 175.272 175.206 0.066 18694 4938 1 10 . 1 1 671 671 ARG CA C 671 56.121 56.121 55.279 0.842 18694 4939 1 10 . 1 1 671 671 ARG CB C 671 30.507 30.507 32.378 -1.871 18694 4940 1 10 . 1 1 671 671 ARG H H 671 7.740 7.740 7.955 -0.215 18694 4941 1 11 . 1 1 587 587 VAL N N 587 119.752 119.752 117.972 1.780 18694 4942 1 11 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.403 -0.305 18694 4943 1 11 . 1 1 587 587 VAL C C 587 176.340 176.340 176.236 0.104 18694 4944 1 11 . 1 1 587 587 VAL CA C 587 62.229 62.229 60.586 1.643 18694 4945 1 11 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.075 -0.293 18694 4946 1 11 . 1 1 587 587 VAL H H 587 8.027 8.027 8.118 -0.091 18694 4947 1 11 . 1 1 588 588 ARG N N 588 125.669 125.669 118.957 6.712 18694 4948 1 11 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.081 0.241 18694 4949 1 11 . 1 1 588 588 ARG C C 588 176.109 176.109 176.055 0.054 18694 4950 1 11 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.904 -0.737 18694 4951 1 11 . 1 1 588 588 ARG CB C 588 30.651 30.651 29.718 0.933 18694 4952 1 11 . 1 1 588 588 ARG H H 588 8.528 8.528 8.287 0.241 18694 4953 1 11 . 1 1 589 589 LYS N N 589 121.018 121.018 122.193 -1.175 18694 4954 1 11 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.979 0.207 18694 4955 1 11 . 1 1 589 589 LYS C C 589 177.598 177.598 175.823 1.775 18694 4956 1 11 . 1 1 589 589 LYS CA C 589 54.923 54.923 56.590 -1.667 18694 4957 1 11 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.465 0.124 18694 4958 1 11 . 1 1 589 589 LYS H H 589 8.116 8.116 7.677 0.439 18694 4959 1 11 . 1 1 590 590 GLY N N 590 112.531 112.531 112.461 0.070 18694 4960 1 11 . 1 1 590 590 GLY C C 590 176.465 176.465 173.626 2.839 18694 4961 1 11 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.547 2.649 18694 4962 1 11 . 1 1 590 590 GLY H H 590 8.669 8.669 7.864 0.805 18694 4963 1 11 . 1 1 591 591 TRP N N 591 119.435 119.435 122.211 -2.776 18694 4964 1 11 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.667 -0.162 18694 4965 1 11 . 1 1 591 591 TRP C C 591 178.177 178.177 176.963 1.214 18694 4966 1 11 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.567 0.561 18694 4967 1 11 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.214 -1.460 18694 4968 1 11 . 1 1 591 591 TRP H H 591 8.026 8.026 7.390 0.636 18694 4969 1 11 . 1 1 592 592 HIS N N 592 119.340 119.340 118.351 0.989 18694 4970 1 11 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.831 -1.330 18694 4971 1 11 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.129 -0.851 18694 4972 1 11 . 1 1 592 592 HIS CB C 592 28.484 28.484 29.611 -1.127 18694 4973 1 11 . 1 1 592 592 HIS H H 592 7.165 7.165 8.721 -1.556 18694 4974 1 11 . 1 1 593 593 GLU N N 593 116.536 116.536 120.314 -3.778 18694 4975 1 11 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.008 -0.028 18694 4976 1 11 . 1 1 593 593 GLU C C 593 176.675 176.675 177.437 -0.762 18694 4977 1 11 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.817 -0.709 18694 4978 1 11 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.454 0.726 18694 4979 1 11 . 1 1 593 593 GLU H H 593 7.726 7.726 8.515 -0.789 18694 4980 1 11 . 1 1 594 594 HIS N N 594 112.885 112.885 114.942 -2.057 18694 4981 1 11 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.475 0.475 18694 4982 1 11 . 1 1 594 594 HIS CA C 594 54.264 54.264 56.988 -2.724 18694 4983 1 11 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.453 -0.271 18694 4984 1 11 . 1 1 594 594 HIS H H 594 7.530 7.530 8.452 -0.922 18694 4985 1 11 . 1 1 595 595 VAL N N 595 120.678 120.678 118.948 1.730 18694 4986 1 11 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.246 0.254 18694 4987 1 11 . 1 1 595 595 VAL C C 595 174.593 174.593 174.782 -0.189 18694 4988 1 11 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.308 0.735 18694 4989 1 11 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.864 -1.502 18694 4990 1 11 . 1 1 595 595 VAL H H 595 7.492 7.492 7.847 -0.355 18694 4991 1 11 . 1 1 596 596 THR N N 596 115.525 115.525 118.644 -3.119 18694 4992 1 11 . 1 1 596 596 THR HA H 596 4.494 4.494 4.474 0.020 18694 4993 1 11 . 1 1 596 596 THR C C 596 175.419 175.419 175.373 0.046 18694 4994 1 11 . 1 1 596 596 THR CA C 596 60.001 60.001 60.339 -0.338 18694 4995 1 11 . 1 1 596 596 THR CB C 596 71.072 71.072 71.010 0.062 18694 4996 1 11 . 1 1 596 596 THR H H 596 7.583 7.583 8.287 -0.704 18694 4997 1 11 . 1 1 597 597 GLN N N 597 120.346 120.346 126.696 -6.350 18694 4998 1 11 . 1 1 597 597 GLN HA H 597 3.818 3.818 3.980 -0.162 18694 4999 1 11 . 1 1 597 597 GLN C C 597 178.079 178.079 177.427 0.652 18694 5000 1 11 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.845 -1.091 18694 5001 1 11 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.566 -0.554 18694 5002 1 11 . 1 1 597 597 GLN H H 597 8.929 8.929 8.919 0.010 18694 5003 1 11 . 1 1 598 598 ASP N N 598 117.842 117.842 119.734 -1.892 18694 5004 1 11 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.410 -0.070 18694 5005 1 11 . 1 1 598 598 ASP C C 598 178.494 178.494 178.556 -0.062 18694 5006 1 11 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.326 -0.433 18694 5007 1 11 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.584 -0.050 18694 5008 1 11 . 1 1 598 598 ASP H H 598 8.382 8.382 7.780 0.602 18694 5009 1 11 . 1 1 599 599 LEU N N 599 123.174 123.174 120.249 2.925 18694 5010 1 11 . 1 1 599 599 LEU HA H 599 4.243 4.243 3.951 0.292 18694 5011 1 11 . 1 1 599 599 LEU C C 599 179.129 179.129 178.568 0.561 18694 5012 1 11 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.053 0.390 18694 5013 1 11 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.952 -0.318 18694 5014 1 11 . 1 1 599 599 LEU H H 599 7.671 7.671 7.338 0.333 18694 5015 1 11 . 1 1 600 600 ARG N N 600 118.132 118.132 118.243 -0.111 18694 5016 1 11 . 1 1 600 600 ARG HA H 600 4.322 4.322 3.989 0.333 18694 5017 1 11 . 1 1 600 600 ARG C C 600 179.103 179.103 179.031 0.072 18694 5018 1 11 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.691 0.705 18694 5019 1 11 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.241 0.280 18694 5020 1 11 . 1 1 600 600 ARG H H 600 7.768 7.768 7.697 0.071 18694 5021 1 11 . 1 1 601 601 SER N N 601 112.865 112.865 115.146 -2.281 18694 5022 1 11 . 1 1 601 601 SER HA H 601 4.134 4.134 4.117 0.017 18694 5023 1 11 . 1 1 601 601 SER C C 601 177.665 177.665 176.293 1.372 18694 5024 1 11 . 1 1 601 601 SER CA C 601 61.534 61.534 62.153 -0.619 18694 5025 1 11 . 1 1 601 601 SER CB C 601 62.758 62.758 63.061 -0.303 18694 5026 1 11 . 1 1 601 601 SER H H 601 8.501 8.501 8.565 -0.064 18694 5027 1 11 . 1 1 602 602 HIS N N 602 121.543 121.543 123.558 -2.015 18694 5028 1 11 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.401 0.092 18694 5029 1 11 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.521 -1.612 18694 5030 1 11 . 1 1 602 602 HIS CB C 602 28.089 28.089 29.966 -1.877 18694 5031 1 11 . 1 1 602 602 HIS H H 602 8.098 8.098 8.242 -0.144 18694 5032 1 11 . 1 1 603 603 LEU N N 603 122.394 122.394 119.018 3.376 18694 5033 1 11 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.950 0.078 18694 5034 1 11 . 1 1 603 603 LEU C C 603 179.275 179.275 178.844 0.431 18694 5035 1 11 . 1 1 603 603 LEU CA C 603 58.097 58.097 58.018 0.079 18694 5036 1 11 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.613 -1.391 18694 5037 1 11 . 1 1 603 603 LEU H H 603 8.293 8.293 7.778 0.515 18694 5038 1 11 . 1 1 604 604 VAL N N 604 120.325 120.325 120.149 0.176 18694 5039 1 11 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.436 -0.008 18694 5040 1 11 . 1 1 604 604 VAL C C 604 178.026 178.026 178.001 0.025 18694 5041 1 11 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.948 0.944 18694 5042 1 11 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.384 0.219 18694 5043 1 11 . 1 1 604 604 VAL H H 604 8.409 8.409 7.581 0.828 18694 5044 1 11 . 1 1 605 605 HIS N N 605 116.275 116.275 118.054 -1.779 18694 5045 1 11 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.220 0.032 18694 5046 1 11 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.058 -0.967 18694 5047 1 11 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.264 -1.383 18694 5048 1 11 . 1 1 605 605 HIS H H 605 7.908 7.908 8.071 -0.163 18694 5049 1 11 . 1 1 606 606 LYS N N 606 119.506 119.506 120.779 -1.273 18694 5050 1 11 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.023 0.250 18694 5051 1 11 . 1 1 606 606 LYS C C 606 178.947 178.947 178.970 -0.023 18694 5052 1 11 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.462 -0.658 18694 5053 1 11 . 1 1 606 606 LYS H H 606 8.092 8.092 7.795 0.297 18694 5054 1 11 . 1 1 607 607 LEU N N 607 121.321 121.321 120.844 0.477 18694 5055 1 11 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.983 -0.025 18694 5056 1 11 . 1 1 607 607 LEU C C 607 177.899 177.899 178.405 -0.506 18694 5057 1 11 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.852 0.974 18694 5058 1 11 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.105 0.418 18694 5059 1 11 . 1 1 607 607 LEU H H 607 7.994 7.994 7.975 0.019 18694 5060 1 11 . 1 1 608 608 VAL N N 608 118.191 118.191 118.941 -0.750 18694 5061 1 11 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.576 -0.229 18694 5062 1 11 . 1 1 608 608 VAL C C 608 177.033 177.033 178.247 -1.214 18694 5063 1 11 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.543 1.400 18694 5064 1 11 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.830 0.822 18694 5065 1 11 . 1 1 608 608 VAL H H 608 8.036 8.036 8.392 -0.356 18694 5066 1 11 . 1 1 609 609 GLN N N 609 116.772 116.772 119.421 -2.649 18694 5067 1 11 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.128 -0.240 18694 5068 1 11 . 1 1 609 609 GLN C C 609 176.992 176.992 177.228 -0.236 18694 5069 1 11 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.635 -0.526 18694 5070 1 11 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.632 0.521 18694 5071 1 11 . 1 1 609 609 GLN H H 609 8.108 8.108 8.399 -0.291 18694 5072 1 11 . 1 1 610 610 ALA N N 610 119.316 119.316 120.821 -1.505 18694 5073 1 11 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.188 -0.155 18694 5074 1 11 . 1 1 610 610 ALA C C 610 178.498 178.498 179.077 -0.579 18694 5075 1 11 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.440 -0.662 18694 5076 1 11 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.710 0.682 18694 5077 1 11 . 1 1 610 610 ALA H H 610 7.756 7.756 7.673 0.083 18694 5078 1 11 . 1 1 611 611 ILE N N 611 115.839 115.839 115.810 0.029 18694 5079 1 11 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.039 -0.364 18694 5080 1 11 . 1 1 611 611 ILE C C 611 174.299 174.299 176.647 -2.348 18694 5081 1 11 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.700 0.025 18694 5082 1 11 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.187 0.119 18694 5083 1 11 . 1 1 611 611 ILE H H 611 7.498 7.498 7.443 0.055 18694 5084 1 11 . 1 1 612 612 PHE N N 612 116.531 116.531 119.845 -3.314 18694 5085 1 11 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.008 0.088 18694 5086 1 11 . 1 1 612 612 PHE C C 612 171.610 171.610 173.453 -1.843 18694 5087 1 11 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.694 -2.978 18694 5088 1 11 . 1 1 612 612 PHE CB C 612 39.682 39.682 40.797 -1.115 18694 5089 1 11 . 1 1 612 612 PHE H H 612 8.235 8.235 8.002 0.233 18694 5090 1 11 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.387 0.186 18694 5091 1 11 . 1 1 613 613 PRO C C 613 178.269 178.269 176.336 1.933 18694 5092 1 11 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.825 0.953 18694 5093 1 11 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.983 0.461 18694 5094 1 11 . 1 1 614 614 THR N N 614 109.561 109.561 113.243 -3.682 18694 5095 1 11 . 1 1 614 614 THR HA H 614 4.470 4.470 4.373 0.097 18694 5096 1 11 . 1 1 614 614 THR C C 614 172.048 172.048 172.687 -0.639 18694 5097 1 11 . 1 1 614 614 THR CA C 614 58.106 58.106 58.857 -0.751 18694 5098 1 11 . 1 1 614 614 THR CB C 614 69.549 69.549 68.324 1.225 18694 5099 1 11 . 1 1 614 614 THR H H 614 8.025 8.025 7.366 0.659 18694 5100 1 11 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.450 -0.460 18694 5101 1 11 . 1 1 615 615 PRO C C 615 176.462 176.462 175.924 0.538 18694 5102 1 11 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.225 0.467 18694 5103 1 11 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.764 0.538 18694 5104 1 11 . 1 1 616 616 ASP N N 616 122.743 122.743 124.134 -1.391 18694 5105 1 11 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.710 0.043 18694 5106 1 11 . 1 1 616 616 ASP C C 616 174.226 174.226 176.804 -2.578 18694 5107 1 11 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.650 0.208 18694 5108 1 11 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.229 -3.299 18694 5109 1 11 . 1 1 616 616 ASP H H 616 8.145 8.145 7.774 0.371 18694 5110 1 11 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.255 -0.145 18694 5111 1 11 . 1 1 617 617 PRO C C 617 178.885 178.885 177.395 1.490 18694 5112 1 11 . 1 1 617 617 PRO CA C 617 66.015 66.015 65.009 1.006 18694 5113 1 11 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.017 -0.083 18694 5114 1 11 . 1 1 618 618 ALA N N 618 118.548 118.548 120.338 -1.790 18694 5115 1 11 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.318 -0.235 18694 5116 1 11 . 1 1 618 618 ALA C C 618 180.518 180.518 179.963 0.555 18694 5117 1 11 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.117 0.605 18694 5118 1 11 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.383 -0.192 18694 5119 1 11 . 1 1 618 618 ALA H H 618 8.093 8.093 8.212 -0.119 18694 5120 1 11 . 1 1 619 619 ALA N N 619 122.623 122.623 122.757 -0.134 18694 5121 1 11 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.118 0.207 18694 5122 1 11 . 1 1 619 619 ALA C C 619 179.318 179.318 179.937 -0.619 18694 5123 1 11 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.756 -0.071 18694 5124 1 11 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.403 0.252 18694 5125 1 11 . 1 1 619 619 ALA H H 619 8.039 8.039 8.539 -0.500 18694 5126 1 11 . 1 1 620 620 LEU N N 620 114.041 114.041 117.677 -3.636 18694 5127 1 11 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.259 -0.212 18694 5128 1 11 . 1 1 620 620 LEU C C 620 178.288 178.288 177.638 0.650 18694 5129 1 11 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.292 -0.153 18694 5130 1 11 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.651 0.496 18694 5131 1 11 . 1 1 620 620 LEU H H 620 7.606 7.606 8.225 -0.619 18694 5132 1 11 . 1 1 621 621 LYS N N 621 115.255 115.255 115.267 -0.012 18694 5133 1 11 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.294 0.043 18694 5134 1 11 . 1 1 621 621 LYS C C 621 175.867 175.867 176.104 -0.237 18694 5135 1 11 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.776 -0.323 18694 5136 1 11 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.727 0.154 18694 5137 1 11 . 1 1 621 621 LYS H H 621 7.272 7.272 7.515 -0.243 18694 5138 1 11 . 1 1 622 622 ASP N N 622 123.382 123.382 119.982 3.400 18694 5139 1 11 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.738 -0.245 18694 5140 1 11 . 1 1 622 622 ASP C C 622 178.117 178.117 176.671 1.446 18694 5141 1 11 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.398 1.486 18694 5142 1 11 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.614 1.373 18694 5143 1 11 . 1 1 622 622 ASP H H 622 7.454 7.454 7.682 -0.228 18694 5144 1 11 . 1 1 623 623 ARG N N 623 130.356 130.356 125.173 5.183 18694 5145 1 11 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.024 0.063 18694 5146 1 11 . 1 1 623 623 ARG C C 623 178.321 178.321 178.126 0.195 18694 5147 1 11 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.345 0.444 18694 5148 1 11 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.895 -0.384 18694 5149 1 11 . 1 1 623 623 ARG H H 623 9.107 9.107 8.807 0.300 18694 5150 1 11 . 1 1 624 624 ARG N N 624 119.125 119.125 120.279 -1.154 18694 5151 1 11 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.037 -0.203 18694 5152 1 11 . 1 1 624 624 ARG C C 624 178.521 178.521 178.563 -0.042 18694 5153 1 11 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.986 -0.307 18694 5154 1 11 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.950 -1.851 18694 5155 1 11 . 1 1 624 624 ARG H H 624 9.582 9.582 7.904 1.678 18694 5156 1 11 . 1 1 625 625 MET N N 625 120.202 120.202 118.617 1.585 18694 5157 1 11 . 1 1 625 625 MET HA H 625 4.527 4.527 4.129 0.398 18694 5158 1 11 . 1 1 625 625 MET C C 625 178.749 178.749 177.784 0.965 18694 5159 1 11 . 1 1 625 625 MET CA C 625 56.796 56.796 58.837 -2.041 18694 5160 1 11 . 1 1 625 625 MET CB C 625 30.890 30.890 32.451 -1.561 18694 5161 1 11 . 1 1 625 625 MET H H 625 7.953 7.953 8.652 -0.699 18694 5162 1 11 . 1 1 626 626 GLU N N 626 117.897 117.897 120.078 -2.181 18694 5163 1 11 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.909 0.151 18694 5164 1 11 . 1 1 626 626 GLU C C 626 179.640 179.640 178.827 0.813 18694 5165 1 11 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.803 -0.823 18694 5166 1 11 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.130 -0.598 18694 5167 1 11 . 1 1 626 626 GLU H H 626 7.431 7.431 7.849 -0.418 18694 5168 1 11 . 1 1 627 627 ASN N N 627 117.950 117.950 117.579 0.371 18694 5169 1 11 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.455 0.034 18694 5170 1 11 . 1 1 627 627 ASN C C 627 177.540 177.540 177.780 -0.240 18694 5171 1 11 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.201 -0.403 18694 5172 1 11 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.550 -1.046 18694 5173 1 11 . 1 1 627 627 ASN H H 627 7.442 7.442 7.904 -0.462 18694 5174 1 11 . 1 1 628 628 LEU N N 628 124.396 124.396 119.344 5.052 18694 5175 1 11 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.259 -0.070 18694 5176 1 11 . 1 1 628 628 LEU C C 628 177.838 177.838 178.332 -0.494 18694 5177 1 11 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.038 1.304 18694 5178 1 11 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.469 0.232 18694 5179 1 11 . 1 1 628 628 LEU H H 628 7.873 7.873 7.308 0.565 18694 5180 1 11 . 1 1 629 629 VAL N N 629 120.503 120.503 120.252 0.251 18694 5181 1 11 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.618 -0.135 18694 5182 1 11 . 1 1 629 629 VAL C C 629 177.552 177.552 178.310 -0.758 18694 5183 1 11 . 1 1 629 629 VAL CA C 629 67.225 67.225 65.888 1.337 18694 5184 1 11 . 1 1 629 629 VAL CB C 629 31.687 31.687 30.517 1.170 18694 5185 1 11 . 1 1 629 629 VAL H H 629 8.246 8.246 8.103 0.143 18694 5186 1 11 . 1 1 630 630 ALA N N 630 120.687 120.687 123.297 -2.610 18694 5187 1 11 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.016 0.016 18694 5188 1 11 . 1 1 630 630 ALA C C 630 180.849 180.849 179.414 1.435 18694 5189 1 11 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.268 0.146 18694 5190 1 11 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.065 0.027 18694 5191 1 11 . 1 1 630 630 ALA H H 630 8.159 8.159 8.329 -0.170 18694 5192 1 11 . 1 1 631 631 TYR N N 631 121.083 121.083 120.252 0.831 18694 5193 1 11 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.074 0.165 18694 5194 1 11 . 1 1 631 631 TYR C C 631 177.591 177.591 177.241 0.350 18694 5195 1 11 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.842 0.470 18694 5196 1 11 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.277 -0.058 18694 5197 1 11 . 1 1 631 631 TYR H H 631 8.102 8.102 8.046 0.056 18694 5198 1 11 . 1 1 632 632 ALA N N 632 122.444 122.444 121.493 0.951 18694 5199 1 11 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.838 -0.156 18694 5200 1 11 . 1 1 632 632 ALA C C 632 179.014 179.014 179.646 -0.632 18694 5201 1 11 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.283 0.059 18694 5202 1 11 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.031 1.793 18694 5203 1 11 . 1 1 632 632 ALA H H 632 8.292 8.292 8.003 0.289 18694 5204 1 11 . 1 1 633 633 LYS N N 633 115.912 115.912 118.539 -2.627 18694 5205 1 11 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.185 -0.175 18694 5206 1 11 . 1 1 633 633 LYS C C 633 180.004 180.004 179.118 0.886 18694 5207 1 11 . 1 1 633 633 LYS CA C 633 59.704 59.704 57.988 1.716 18694 5208 1 11 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.734 0.933 18694 5209 1 11 . 1 1 633 633 LYS H H 633 8.548 8.548 8.106 0.442 18694 5210 1 11 . 1 1 634 634 LYS N N 634 123.870 123.870 120.156 3.714 18694 5211 1 11 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.995 0.017 18694 5212 1 11 . 1 1 634 634 LYS C C 634 178.603 178.603 178.809 -0.206 18694 5213 1 11 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.792 0.310 18694 5214 1 11 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.725 0.064 18694 5215 1 11 . 1 1 634 634 LYS H H 634 7.943 7.943 7.902 0.041 18694 5216 1 11 . 1 1 635 635 VAL N N 635 119.215 119.215 118.777 0.438 18694 5217 1 11 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.515 0.161 18694 5218 1 11 . 1 1 635 635 VAL C C 635 178.574 178.574 177.415 1.159 18694 5219 1 11 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.637 -0.537 18694 5220 1 11 . 1 1 635 635 VAL CB C 635 31.611 31.611 30.938 0.673 18694 5221 1 11 . 1 1 635 635 VAL H H 635 8.165 8.165 7.950 0.215 18694 5222 1 11 . 1 1 636 636 GLU N N 636 120.094 120.094 120.218 -0.124 18694 5223 1 11 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.055 -0.193 18694 5224 1 11 . 1 1 636 636 GLU C C 636 178.666 178.666 179.347 -0.681 18694 5225 1 11 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.459 2.230 18694 5226 1 11 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.868 -0.149 18694 5227 1 11 . 1 1 636 636 GLU H H 636 8.331 8.331 8.326 0.005 18694 5228 1 11 . 1 1 637 637 GLY N N 637 106.839 106.839 108.300 -1.461 18694 5229 1 11 . 1 1 637 637 GLY C C 637 176.614 176.614 175.718 0.896 18694 5230 1 11 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.745 0.592 18694 5231 1 11 . 1 1 637 637 GLY H H 637 8.145 8.145 8.091 0.054 18694 5232 1 11 . 1 1 638 638 ASP N N 638 122.731 122.731 122.426 0.305 18694 5233 1 11 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.576 -0.033 18694 5234 1 11 . 1 1 638 638 ASP C C 638 180.109 180.109 179.259 0.850 18694 5235 1 11 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.554 0.340 18694 5236 1 11 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.218 -1.131 18694 5237 1 11 . 1 1 638 638 ASP H H 638 8.338 8.338 7.973 0.365 18694 5238 1 11 . 1 1 639 639 MET N N 639 121.055 121.055 119.003 2.052 18694 5239 1 11 . 1 1 639 639 MET HA H 639 4.389 4.389 4.161 0.228 18694 5240 1 11 . 1 1 639 639 MET C C 639 177.737 177.737 178.251 -0.514 18694 5241 1 11 . 1 1 639 639 MET CA C 639 58.675 58.675 57.640 1.035 18694 5242 1 11 . 1 1 639 639 MET CB C 639 32.530 32.530 31.391 1.139 18694 5243 1 11 . 1 1 639 639 MET H H 639 8.193 8.193 8.482 -0.289 18694 5244 1 11 . 1 1 640 640 TYR N N 640 121.235 121.235 120.132 1.103 18694 5245 1 11 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.753 0.545 18694 5246 1 11 . 1 1 640 640 TYR C C 640 178.311 178.311 176.328 1.983 18694 5247 1 11 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.328 0.579 18694 5248 1 11 . 1 1 640 640 TYR CB C 640 38.950 38.950 38.021 0.929 18694 5249 1 11 . 1 1 640 640 TYR H H 640 9.328 9.328 7.716 1.612 18694 5250 1 11 . 1 1 641 641 GLU N N 641 115.098 115.098 116.466 -1.368 18694 5251 1 11 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.910 0.456 18694 5252 1 11 . 1 1 641 641 GLU C C 641 178.006 178.006 179.181 -1.175 18694 5253 1 11 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.761 -1.315 18694 5254 1 11 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.289 0.413 18694 5255 1 11 . 1 1 641 641 GLU H H 641 8.079 8.079 7.539 0.540 18694 5256 1 11 . 1 1 642 642 SER N N 642 112.869 112.869 114.817 -1.948 18694 5257 1 11 . 1 1 642 642 SER HA H 642 4.394 4.394 4.230 0.164 18694 5258 1 11 . 1 1 642 642 SER C C 642 175.251 175.251 176.265 -1.014 18694 5259 1 11 . 1 1 642 642 SER CA C 642 60.175 60.175 60.085 0.090 18694 5260 1 11 . 1 1 642 642 SER CB C 642 64.388 64.388 62.543 1.845 18694 5261 1 11 . 1 1 642 642 SER H H 642 7.968 7.968 7.725 0.243 18694 5262 1 11 . 1 1 643 643 ALA N N 643 123.763 123.763 123.550 0.213 18694 5263 1 11 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.207 0.020 18694 5264 1 11 . 1 1 643 643 ALA C C 643 177.897 177.897 177.183 0.714 18694 5265 1 11 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.994 -0.395 18694 5266 1 11 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.095 2.597 18694 5267 1 11 . 1 1 643 643 ALA H H 643 8.096 8.096 8.129 -0.033 18694 5268 1 11 . 1 1 644 644 ASN N N 644 117.176 117.176 116.456 0.720 18694 5269 1 11 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.485 0.625 18694 5270 1 11 . 1 1 644 644 ASN C C 644 173.978 173.978 174.905 -0.927 18694 5271 1 11 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.853 -0.499 18694 5272 1 11 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.891 1.328 18694 5273 1 11 . 1 1 644 644 ASN H H 644 9.102 9.102 7.971 1.131 18694 5274 1 11 . 1 1 645 645 SER N N 645 111.225 111.225 115.110 -3.885 18694 5275 1 11 . 1 1 645 645 SER HA H 645 3.632 3.632 4.723 -1.091 18694 5276 1 11 . 1 1 645 645 SER C C 645 171.965 171.965 174.464 -2.499 18694 5277 1 11 . 1 1 645 645 SER CA C 645 56.522 56.522 57.289 -0.767 18694 5278 1 11 . 1 1 645 645 SER CB C 645 64.968 64.968 65.978 -1.010 18694 5279 1 11 . 1 1 645 645 SER H H 645 6.865 6.865 7.411 -0.546 18694 5280 1 11 . 1 1 646 646 ARG N N 646 121.944 121.944 126.124 -4.180 18694 5281 1 11 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.218 -1.032 18694 5282 1 11 . 1 1 646 646 ARG C C 646 177.709 177.709 178.202 -0.493 18694 5283 1 11 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.850 -0.819 18694 5284 1 11 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.912 0.341 18694 5285 1 11 . 1 1 646 646 ARG H H 646 8.685 8.685 8.980 -0.295 18694 5286 1 11 . 1 1 647 647 ASP N N 647 116.817 116.817 117.812 -0.995 18694 5287 1 11 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.396 -0.101 18694 5288 1 11 . 1 1 647 647 ASP C C 647 178.860 178.860 178.339 0.521 18694 5289 1 11 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.590 -0.465 18694 5290 1 11 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.392 -0.103 18694 5291 1 11 . 1 1 647 647 ASP H H 647 8.119 8.119 8.515 -0.396 18694 5292 1 11 . 1 1 648 648 GLU N N 648 121.231 121.231 120.255 0.976 18694 5293 1 11 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.112 -0.122 18694 5294 1 11 . 1 1 648 648 GLU C C 648 177.064 177.064 178.302 -1.238 18694 5295 1 11 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.388 -0.126 18694 5296 1 11 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.277 0.861 18694 5297 1 11 . 1 1 648 648 GLU H H 648 7.799 7.799 8.177 -0.378 18694 5298 1 11 . 1 1 649 649 TYR N N 649 122.045 122.045 121.087 0.958 18694 5299 1 11 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.202 -0.203 18694 5300 1 11 . 1 1 649 649 TYR C C 649 176.140 176.140 177.911 -1.771 18694 5301 1 11 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.953 0.716 18694 5302 1 11 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.211 0.747 18694 5303 1 11 . 1 1 649 649 TYR H H 649 7.338 7.338 8.122 -0.784 18694 5304 1 11 . 1 1 650 650 TYR N N 650 115.581 115.581 115.849 -0.268 18694 5305 1 11 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.075 -0.076 18694 5306 1 11 . 1 1 650 650 TYR C C 650 179.058 179.058 178.276 0.782 18694 5307 1 11 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.555 -2.062 18694 5308 1 11 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.873 -0.231 18694 5309 1 11 . 1 1 650 650 TYR H H 650 8.072 8.072 8.163 -0.091 18694 5310 1 11 . 1 1 651 651 HIS N N 651 118.435 118.435 119.713 -1.278 18694 5311 1 11 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.348 -0.035 18694 5312 1 11 . 1 1 651 651 HIS CA C 651 59.303 59.303 59.988 -0.685 18694 5313 1 11 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.228 -1.972 18694 5314 1 11 . 1 1 651 651 HIS H H 651 8.311 8.311 7.700 0.611 18694 5315 1 11 . 1 1 652 652 LEU N N 652 121.135 121.135 119.758 1.377 18694 5316 1 11 . 1 1 652 652 LEU HA H 652 3.993 3.993 4.004 -0.011 18694 5317 1 11 . 1 1 652 652 LEU C C 652 180.822 180.822 179.159 1.663 18694 5318 1 11 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.198 -0.305 18694 5319 1 11 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.996 0.041 18694 5320 1 11 . 1 1 652 652 LEU H H 652 9.141 9.141 8.182 0.959 18694 5321 1 11 . 1 1 653 653 LEU N N 653 120.947 120.947 118.800 2.147 18694 5322 1 11 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.887 -0.054 18694 5323 1 11 . 1 1 653 653 LEU C C 653 178.085 178.085 178.821 -0.736 18694 5324 1 11 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.002 0.336 18694 5325 1 11 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.306 0.580 18694 5326 1 11 . 1 1 653 653 LEU H H 653 7.769 7.769 7.522 0.247 18694 5327 1 11 . 1 1 654 654 ALA N N 654 120.863 120.863 121.297 -0.434 18694 5328 1 11 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.871 0.013 18694 5329 1 11 . 1 1 654 654 ALA C C 654 180.274 180.274 179.422 0.852 18694 5330 1 11 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.268 0.088 18694 5331 1 11 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.782 0.408 18694 5332 1 11 . 1 1 654 654 ALA H H 654 8.111 8.111 7.939 0.172 18694 5333 1 11 . 1 1 655 655 GLU N N 655 118.047 118.047 118.711 -0.664 18694 5334 1 11 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.957 0.061 18694 5335 1 11 . 1 1 655 655 GLU C C 655 178.311 178.311 178.990 -0.679 18694 5336 1 11 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.653 -0.574 18694 5337 1 11 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.492 -0.078 18694 5338 1 11 . 1 1 655 655 GLU H H 655 8.363 8.363 7.854 0.509 18694 5339 1 11 . 1 1 656 656 LYS N N 656 120.122 120.122 118.749 1.373 18694 5340 1 11 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.127 -0.077 18694 5341 1 11 . 1 1 656 656 LYS C C 656 178.388 178.388 179.455 -1.067 18694 5342 1 11 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.535 -0.406 18694 5343 1 11 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.077 -0.667 18694 5344 1 11 . 1 1 656 656 LYS H H 656 7.852 7.852 7.496 0.356 18694 5345 1 11 . 1 1 657 657 ILE N N 657 118.294 118.294 120.139 -1.845 18694 5346 1 11 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.707 -0.316 18694 5347 1 11 . 1 1 657 657 ILE C C 657 177.061 177.061 178.053 -0.992 18694 5348 1 11 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.503 1.023 18694 5349 1 11 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.945 -0.045 18694 5350 1 11 . 1 1 657 657 ILE H H 657 8.199 8.199 8.284 -0.085 18694 5351 1 11 . 1 1 658 658 TYR N N 658 119.430 119.430 120.596 -1.166 18694 5352 1 11 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.054 0.249 18694 5353 1 11 . 1 1 658 658 TYR C C 658 177.869 177.869 177.443 0.426 18694 5354 1 11 . 1 1 658 658 TYR CA C 658 60.869 60.869 61.731 -0.862 18694 5355 1 11 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.246 -0.041 18694 5356 1 11 . 1 1 658 658 TYR H H 658 8.066 8.066 8.268 -0.202 18694 5357 1 11 . 1 1 659 659 LYS N N 659 118.321 118.321 119.038 -0.717 18694 5358 1 11 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.930 -0.116 18694 5359 1 11 . 1 1 659 659 LYS C C 659 180.019 180.019 179.148 0.871 18694 5360 1 11 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.831 1.029 18694 5361 1 11 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.717 0.974 18694 5362 1 11 . 1 1 659 659 LYS H H 659 8.309 8.309 8.123 0.186 18694 5363 1 11 . 1 1 660 660 ILE N N 660 121.103 121.103 120.379 0.724 18694 5364 1 11 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.659 -0.073 18694 5365 1 11 . 1 1 660 660 ILE C C 660 177.404 177.404 177.892 -0.488 18694 5366 1 11 . 1 1 660 660 ILE CA C 660 66.076 66.076 64.927 1.149 18694 5367 1 11 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.901 0.483 18694 5368 1 11 . 1 1 660 660 ILE H H 660 8.546 8.546 7.900 0.646 18694 5369 1 11 . 1 1 661 661 GLN N N 661 118.093 118.093 118.806 -0.713 18694 5370 1 11 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.822 0.109 18694 5371 1 11 . 1 1 661 661 GLN C C 661 179.682 179.682 177.987 1.695 18694 5372 1 11 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.050 0.818 18694 5373 1 11 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.275 -0.214 18694 5374 1 11 . 1 1 661 661 GLN H H 661 8.554 8.554 7.864 0.690 18694 5375 1 11 . 1 1 662 662 LYS N N 662 119.532 119.532 120.863 -1.331 18694 5376 1 11 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.947 0.014 18694 5377 1 11 . 1 1 662 662 LYS C C 662 178.745 178.745 178.746 -0.001 18694 5378 1 11 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.566 -1.045 18694 5379 1 11 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.181 -0.558 18694 5380 1 11 . 1 1 662 662 LYS H H 662 8.110 8.110 8.185 -0.075 18694 5381 1 11 . 1 1 663 663 GLU N N 663 121.313 121.313 119.297 2.016 18694 5382 1 11 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.034 -0.013 18694 5383 1 11 . 1 1 663 663 GLU C C 663 179.429 179.429 179.205 0.224 18694 5384 1 11 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.056 0.437 18694 5385 1 11 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.196 -0.032 18694 5386 1 11 . 1 1 663 663 GLU H H 663 8.011 8.011 7.714 0.297 18694 5387 1 11 . 1 1 664 664 LEU N N 664 119.460 119.460 119.680 -0.220 18694 5388 1 11 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.958 -0.040 18694 5389 1 11 . 1 1 664 664 LEU C C 664 178.785 178.785 179.315 -0.530 18694 5390 1 11 . 1 1 664 664 LEU CA C 664 58.174 58.174 57.803 0.370 18694 5391 1 11 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.625 0.280 18694 5392 1 11 . 1 1 664 664 LEU H H 664 8.342 8.342 8.309 0.033 18694 5393 1 11 . 1 1 665 665 GLU N N 665 118.822 118.822 118.373 0.449 18694 5394 1 11 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.969 0.004 18694 5395 1 11 . 1 1 665 665 GLU C C 665 179.161 179.161 178.804 0.357 18694 5396 1 11 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.178 -0.363 18694 5397 1 11 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.429 -0.296 18694 5398 1 11 . 1 1 665 665 GLU H H 665 8.018 8.018 8.242 -0.224 18694 5399 1 11 . 1 1 666 666 GLU N N 666 118.722 118.722 119.931 -1.209 18694 5400 1 11 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.066 -0.094 18694 5401 1 11 . 1 1 666 666 GLU C C 666 179.536 179.536 178.908 0.628 18694 5402 1 11 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.121 -0.211 18694 5403 1 11 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.845 -0.964 18694 5404 1 11 . 1 1 666 666 GLU H H 666 8.014 8.014 8.214 -0.200 18694 5405 1 11 . 1 1 667 667 LYS N N 667 119.177 119.177 118.412 0.765 18694 5406 1 11 . 1 1 667 667 LYS HA H 667 4.141 4.141 3.990 0.151 18694 5407 1 11 . 1 1 667 667 LYS C C 667 179.425 179.425 178.662 0.763 18694 5408 1 11 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.096 -1.713 18694 5409 1 11 . 1 1 667 667 LYS CB C 667 32.005 32.005 31.797 0.209 18694 5410 1 11 . 1 1 667 667 LYS H H 667 8.056 8.056 8.388 -0.332 18694 5411 1 11 . 1 1 668 668 ARG N N 668 119.491 119.491 118.824 0.667 18694 5412 1 11 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.154 -0.195 18694 5413 1 11 . 1 1 668 668 ARG C C 668 178.260 178.260 177.010 1.250 18694 5414 1 11 . 1 1 668 668 ARG CA C 668 58.964 58.964 56.902 2.062 18694 5415 1 11 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.672 0.539 18694 5416 1 11 . 1 1 668 668 ARG H H 668 8.218 8.218 7.824 0.394 18694 5417 1 11 . 1 1 669 669 ARG N N 669 117.972 117.972 118.398 -0.426 18694 5418 1 11 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.066 0.104 18694 5419 1 11 . 1 1 669 669 ARG C C 669 177.325 177.325 177.420 -0.095 18694 5420 1 11 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.523 -0.972 18694 5421 1 11 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.174 -0.065 18694 5422 1 11 . 1 1 669 669 ARG H H 669 7.793 7.793 7.735 0.058 18694 5423 1 11 . 1 1 670 670 SER N N 670 114.336 114.336 110.393 3.943 18694 5424 1 11 . 1 1 670 670 SER HA H 670 4.410 4.410 4.479 -0.069 18694 5425 1 11 . 1 1 670 670 SER C C 670 174.266 174.266 174.150 0.116 18694 5426 1 11 . 1 1 670 670 SER CA C 670 58.946 58.946 58.892 0.054 18694 5427 1 11 . 1 1 670 670 SER CB C 670 63.814 63.814 64.945 -1.131 18694 5428 1 11 . 1 1 670 670 SER H H 670 7.794 7.794 7.652 0.142 18694 5429 1 11 . 1 1 671 671 ARG N N 671 122.062 122.062 121.335 0.727 18694 5430 1 11 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.513 -0.166 18694 5431 1 11 . 1 1 671 671 ARG C C 671 175.272 175.272 175.885 -0.613 18694 5432 1 11 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.161 -0.040 18694 5433 1 11 . 1 1 671 671 ARG CB C 671 30.507 30.507 31.288 -0.781 18694 5434 1 11 . 1 1 671 671 ARG H H 671 7.740 7.740 7.993 -0.253 18694 5435 1 12 . 1 1 587 587 VAL N N 587 119.752 119.752 119.764 -0.012 18694 5436 1 12 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.578 -0.480 18694 5437 1 12 . 1 1 587 587 VAL C C 587 176.340 176.340 175.401 0.939 18694 5438 1 12 . 1 1 587 587 VAL CA C 587 62.229 62.229 59.766 2.463 18694 5439 1 12 . 1 1 587 587 VAL CB C 587 32.782 32.782 34.924 -2.142 18694 5440 1 12 . 1 1 587 587 VAL H H 587 8.027 8.027 7.720 0.307 18694 5441 1 12 . 1 1 588 588 ARG N N 588 125.669 125.669 118.972 6.697 18694 5442 1 12 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.438 -0.116 18694 5443 1 12 . 1 1 588 588 ARG C C 588 176.109 176.109 175.635 0.474 18694 5444 1 12 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.902 -0.735 18694 5445 1 12 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.092 0.559 18694 5446 1 12 . 1 1 588 588 ARG H H 588 8.528 8.528 8.393 0.135 18694 5447 1 12 . 1 1 589 589 LYS N N 589 121.018 121.018 120.027 0.991 18694 5448 1 12 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.913 0.273 18694 5449 1 12 . 1 1 589 589 LYS C C 589 177.598 177.598 175.080 2.518 18694 5450 1 12 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.553 -0.630 18694 5451 1 12 . 1 1 589 589 LYS CB C 589 32.589 32.589 33.189 -0.600 18694 5452 1 12 . 1 1 589 589 LYS H H 589 8.116 8.116 7.494 0.622 18694 5453 1 12 . 1 1 590 590 GLY N N 590 112.531 112.531 114.245 -1.714 18694 5454 1 12 . 1 1 590 590 GLY C C 590 176.465 176.465 174.470 1.995 18694 5455 1 12 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.291 2.905 18694 5456 1 12 . 1 1 590 590 GLY H H 590 8.669 8.669 7.518 1.151 18694 5457 1 12 . 1 1 591 591 TRP N N 591 119.435 119.435 119.117 0.318 18694 5458 1 12 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.637 -0.132 18694 5459 1 12 . 1 1 591 591 TRP C C 591 178.177 178.177 176.357 1.820 18694 5460 1 12 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.597 0.531 18694 5461 1 12 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.670 -0.916 18694 5462 1 12 . 1 1 591 591 TRP H H 591 8.026 8.026 7.023 1.003 18694 5463 1 12 . 1 1 592 592 HIS N N 592 119.340 119.340 118.728 0.612 18694 5464 1 12 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.411 -0.910 18694 5465 1 12 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.288 -1.010 18694 5466 1 12 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.005 -1.521 18694 5467 1 12 . 1 1 592 592 HIS H H 592 7.165 7.165 8.726 -1.561 18694 5468 1 12 . 1 1 593 593 GLU N N 593 116.536 116.536 120.304 -3.768 18694 5469 1 12 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.063 -0.083 18694 5470 1 12 . 1 1 593 593 GLU C C 593 176.675 176.675 177.240 -0.565 18694 5471 1 12 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.724 -0.615 18694 5472 1 12 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.595 0.585 18694 5473 1 12 . 1 1 593 593 GLU H H 593 7.726 7.726 8.598 -0.872 18694 5474 1 12 . 1 1 594 594 HIS N N 594 112.885 112.885 114.329 -1.444 18694 5475 1 12 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.663 0.287 18694 5476 1 12 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.704 -1.440 18694 5477 1 12 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.837 0.345 18694 5478 1 12 . 1 1 594 594 HIS H H 594 7.530 7.530 8.369 -0.839 18694 5479 1 12 . 1 1 595 595 VAL N N 595 120.678 120.678 118.926 1.752 18694 5480 1 12 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.425 0.075 18694 5481 1 12 . 1 1 595 595 VAL C C 595 174.593 174.593 175.235 -0.642 18694 5482 1 12 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.939 1.104 18694 5483 1 12 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.087 -1.725 18694 5484 1 12 . 1 1 595 595 VAL H H 595 7.492 7.492 7.251 0.241 18694 5485 1 12 . 1 1 596 596 THR N N 596 115.525 115.525 118.955 -3.430 18694 5486 1 12 . 1 1 596 596 THR HA H 596 4.494 4.494 4.455 0.039 18694 5487 1 12 . 1 1 596 596 THR C C 596 175.419 175.419 175.670 -0.251 18694 5488 1 12 . 1 1 596 596 THR CA C 596 60.001 60.001 60.709 -0.708 18694 5489 1 12 . 1 1 596 596 THR CB C 596 71.072 71.072 70.956 0.116 18694 5490 1 12 . 1 1 596 596 THR H H 596 7.583 7.583 8.289 -0.706 18694 5491 1 12 . 1 1 597 597 GLN N N 597 120.346 120.346 125.888 -5.542 18694 5492 1 12 . 1 1 597 597 GLN HA H 597 3.818 3.818 3.957 -0.139 18694 5493 1 12 . 1 1 597 597 GLN C C 597 178.079 178.079 177.344 0.735 18694 5494 1 12 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.345 -0.591 18694 5495 1 12 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.348 -0.336 18694 5496 1 12 . 1 1 597 597 GLN H H 597 8.929 8.929 8.843 0.086 18694 5497 1 12 . 1 1 598 598 ASP N N 598 117.842 117.842 119.911 -2.069 18694 5498 1 12 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.328 0.012 18694 5499 1 12 . 1 1 598 598 ASP C C 598 178.494 178.494 178.448 0.046 18694 5500 1 12 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.578 -0.685 18694 5501 1 12 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.611 -0.077 18694 5502 1 12 . 1 1 598 598 ASP H H 598 8.382 8.382 7.758 0.624 18694 5503 1 12 . 1 1 599 599 LEU N N 599 123.174 123.174 120.882 2.292 18694 5504 1 12 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.059 0.184 18694 5505 1 12 . 1 1 599 599 LEU C C 599 179.129 179.129 178.743 0.386 18694 5506 1 12 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.573 0.870 18694 5507 1 12 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.913 -0.279 18694 5508 1 12 . 1 1 599 599 LEU H H 599 7.671 7.671 7.357 0.314 18694 5509 1 12 . 1 1 600 600 ARG N N 600 118.132 118.132 118.927 -0.795 18694 5510 1 12 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.072 0.250 18694 5511 1 12 . 1 1 600 600 ARG C C 600 179.103 179.103 179.156 -0.053 18694 5512 1 12 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.757 0.639 18694 5513 1 12 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.197 0.323 18694 5514 1 12 . 1 1 600 600 ARG H H 600 7.768 7.768 7.796 -0.028 18694 5515 1 12 . 1 1 601 601 SER N N 601 112.865 112.865 115.147 -2.282 18694 5516 1 12 . 1 1 601 601 SER HA H 601 4.134 4.134 4.148 -0.014 18694 5517 1 12 . 1 1 601 601 SER C C 601 177.665 177.665 176.082 1.583 18694 5518 1 12 . 1 1 601 601 SER CA C 601 61.534 61.534 62.072 -0.538 18694 5519 1 12 . 1 1 601 601 SER CB C 601 62.758 62.758 63.052 -0.294 18694 5520 1 12 . 1 1 601 601 SER H H 601 8.501 8.501 8.444 0.057 18694 5521 1 12 . 1 1 602 602 HIS N N 602 121.543 121.543 123.546 -2.003 18694 5522 1 12 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.138 0.355 18694 5523 1 12 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.019 -1.110 18694 5524 1 12 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.035 -1.946 18694 5525 1 12 . 1 1 602 602 HIS H H 602 8.098 8.098 8.162 -0.064 18694 5526 1 12 . 1 1 603 603 LEU N N 603 122.394 122.394 119.042 3.352 18694 5527 1 12 . 1 1 603 603 LEU HA H 603 4.028 4.028 4.030 -0.002 18694 5528 1 12 . 1 1 603 603 LEU C C 603 179.275 179.275 179.025 0.250 18694 5529 1 12 . 1 1 603 603 LEU CA C 603 58.097 58.097 58.068 0.029 18694 5530 1 12 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.819 -1.597 18694 5531 1 12 . 1 1 603 603 LEU H H 603 8.293 8.293 8.255 0.038 18694 5532 1 12 . 1 1 604 604 VAL N N 604 120.325 120.325 120.415 -0.090 18694 5533 1 12 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.541 -0.113 18694 5534 1 12 . 1 1 604 604 VAL C C 604 178.026 178.026 178.170 -0.144 18694 5535 1 12 . 1 1 604 604 VAL CA C 604 67.892 67.892 67.266 0.626 18694 5536 1 12 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.729 -0.126 18694 5537 1 12 . 1 1 604 604 VAL H H 604 8.409 8.409 7.938 0.471 18694 5538 1 12 . 1 1 605 605 HIS N N 605 116.275 116.275 118.261 -1.986 18694 5539 1 12 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.216 0.036 18694 5540 1 12 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.622 -0.531 18694 5541 1 12 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.670 -1.790 18694 5542 1 12 . 1 1 605 605 HIS H H 605 7.908 7.908 8.727 -0.819 18694 5543 1 12 . 1 1 606 606 LYS N N 606 119.506 119.506 120.881 -1.375 18694 5544 1 12 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.078 0.195 18694 5545 1 12 . 1 1 606 606 LYS C C 606 178.947 178.947 178.828 0.119 18694 5546 1 12 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.513 -0.709 18694 5547 1 12 . 1 1 606 606 LYS H H 606 8.092 8.092 7.980 0.112 18694 5548 1 12 . 1 1 607 607 LEU N N 607 121.321 121.321 121.000 0.321 18694 5549 1 12 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.001 -0.043 18694 5550 1 12 . 1 1 607 607 LEU C C 607 177.899 177.899 178.648 -0.749 18694 5551 1 12 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.966 0.860 18694 5552 1 12 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.145 0.378 18694 5553 1 12 . 1 1 607 607 LEU H H 607 7.994 7.994 8.084 -0.090 18694 5554 1 12 . 1 1 608 608 VAL N N 608 118.191 118.191 119.086 -0.895 18694 5555 1 12 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.523 -0.176 18694 5556 1 12 . 1 1 608 608 VAL C C 608 177.033 177.033 177.921 -0.888 18694 5557 1 12 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.730 1.213 18694 5558 1 12 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.513 0.139 18694 5559 1 12 . 1 1 608 608 VAL H H 608 8.036 8.036 8.103 -0.067 18694 5560 1 12 . 1 1 609 609 GLN N N 609 116.772 116.772 120.096 -3.324 18694 5561 1 12 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.215 -0.327 18694 5562 1 12 . 1 1 609 609 GLN C C 609 176.992 176.992 178.015 -1.023 18694 5563 1 12 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.724 -0.616 18694 5564 1 12 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.809 0.344 18694 5565 1 12 . 1 1 609 609 GLN H H 609 8.108 8.108 8.392 -0.284 18694 5566 1 12 . 1 1 610 610 ALA N N 610 119.316 119.316 120.993 -1.677 18694 5567 1 12 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.169 -0.136 18694 5568 1 12 . 1 1 610 610 ALA C C 610 178.498 178.498 179.198 -0.700 18694 5569 1 12 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.677 -0.899 18694 5570 1 12 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.710 0.682 18694 5571 1 12 . 1 1 610 610 ALA H H 610 7.756 7.756 7.835 -0.079 18694 5572 1 12 . 1 1 611 611 ILE N N 611 115.839 115.839 115.358 0.481 18694 5573 1 12 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.004 -0.329 18694 5574 1 12 . 1 1 611 611 ILE C C 611 174.299 174.299 176.293 -1.994 18694 5575 1 12 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.502 0.223 18694 5576 1 12 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.964 0.342 18694 5577 1 12 . 1 1 611 611 ILE H H 611 7.498 7.498 7.412 0.086 18694 5578 1 12 . 1 1 612 612 PHE N N 612 116.531 116.531 119.837 -3.306 18694 5579 1 12 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.990 0.106 18694 5580 1 12 . 1 1 612 612 PHE C C 612 171.610 171.610 173.342 -1.732 18694 5581 1 12 . 1 1 612 612 PHE CA C 612 51.716 51.716 55.205 -3.489 18694 5582 1 12 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.600 -1.918 18694 5583 1 12 . 1 1 612 612 PHE H H 612 8.235 8.235 8.029 0.206 18694 5584 1 12 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.555 0.018 18694 5585 1 12 . 1 1 613 613 PRO C C 613 178.269 178.269 176.433 1.836 18694 5586 1 12 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.670 1.108 18694 5587 1 12 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.502 0.942 18694 5588 1 12 . 1 1 614 614 THR N N 614 109.561 109.561 113.400 -3.839 18694 5589 1 12 . 1 1 614 614 THR HA H 614 4.470 4.470 4.365 0.105 18694 5590 1 12 . 1 1 614 614 THR C C 614 172.048 172.048 172.805 -0.757 18694 5591 1 12 . 1 1 614 614 THR CA C 614 58.106 58.106 59.070 -0.964 18694 5592 1 12 . 1 1 614 614 THR CB C 614 69.549 69.549 68.385 1.164 18694 5593 1 12 . 1 1 614 614 THR H H 614 8.025 8.025 7.365 0.660 18694 5594 1 12 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.630 -0.640 18694 5595 1 12 . 1 1 615 615 PRO C C 615 176.462 176.462 175.969 0.493 18694 5596 1 12 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.264 0.428 18694 5597 1 12 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.860 0.442 18694 5598 1 12 . 1 1 616 616 ASP N N 616 122.743 122.743 123.940 -1.197 18694 5599 1 12 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.787 -0.034 18694 5600 1 12 . 1 1 616 616 ASP C C 616 174.226 174.226 176.917 -2.691 18694 5601 1 12 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.345 0.513 18694 5602 1 12 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.963 -3.033 18694 5603 1 12 . 1 1 616 616 ASP H H 616 8.145 8.145 7.794 0.351 18694 5604 1 12 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.252 -0.142 18694 5605 1 12 . 1 1 617 617 PRO C C 617 178.885 178.885 176.812 2.073 18694 5606 1 12 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.807 1.208 18694 5607 1 12 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.983 -0.049 18694 5608 1 12 . 1 1 618 618 ALA N N 618 118.548 118.548 119.492 -0.944 18694 5609 1 12 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.362 -0.279 18694 5610 1 12 . 1 1 618 618 ALA C C 618 180.518 180.518 179.800 0.718 18694 5611 1 12 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.279 1.443 18694 5612 1 12 . 1 1 618 618 ALA CB C 618 18.191 18.191 19.291 -1.101 18694 5613 1 12 . 1 1 618 618 ALA H H 618 8.093 8.093 8.023 0.070 18694 5614 1 12 . 1 1 619 619 ALA N N 619 122.623 122.623 122.906 -0.283 18694 5615 1 12 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.070 0.255 18694 5616 1 12 . 1 1 619 619 ALA C C 619 179.318 179.318 179.836 -0.518 18694 5617 1 12 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.727 -0.042 18694 5618 1 12 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.386 0.270 18694 5619 1 12 . 1 1 619 619 ALA H H 619 8.039 8.039 8.650 -0.611 18694 5620 1 12 . 1 1 620 620 LEU N N 620 114.041 114.041 117.188 -3.147 18694 5621 1 12 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.229 -0.182 18694 5622 1 12 . 1 1 620 620 LEU C C 620 178.288 178.288 177.351 0.937 18694 5623 1 12 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.983 0.156 18694 5624 1 12 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.553 0.594 18694 5625 1 12 . 1 1 620 620 LEU H H 620 7.606 7.606 8.151 -0.545 18694 5626 1 12 . 1 1 621 621 LYS N N 621 115.255 115.255 114.787 0.468 18694 5627 1 12 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.324 0.013 18694 5628 1 12 . 1 1 621 621 LYS C C 621 175.867 175.867 175.771 0.096 18694 5629 1 12 . 1 1 621 621 LYS CA C 621 55.453 55.453 54.675 0.778 18694 5630 1 12 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.234 0.647 18694 5631 1 12 . 1 1 621 621 LYS H H 621 7.272 7.272 7.499 -0.227 18694 5632 1 12 . 1 1 622 622 ASP N N 622 123.382 123.382 120.718 2.664 18694 5633 1 12 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.614 -0.121 18694 5634 1 12 . 1 1 622 622 ASP C C 622 178.117 178.117 176.946 1.171 18694 5635 1 12 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.289 0.595 18694 5636 1 12 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.555 1.432 18694 5637 1 12 . 1 1 622 622 ASP H H 622 7.454 7.454 7.581 -0.127 18694 5638 1 12 . 1 1 623 623 ARG N N 623 130.356 130.356 127.129 3.227 18694 5639 1 12 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.130 -0.043 18694 5640 1 12 . 1 1 623 623 ARG C C 623 178.321 178.321 178.269 0.052 18694 5641 1 12 . 1 1 623 623 ARG CA C 623 58.789 58.789 59.889 -1.100 18694 5642 1 12 . 1 1 623 623 ARG CB C 623 29.511 29.511 30.306 -0.795 18694 5643 1 12 . 1 1 623 623 ARG H H 623 9.107 9.107 8.835 0.273 18694 5644 1 12 . 1 1 624 624 ARG N N 624 119.125 119.125 119.363 -0.238 18694 5645 1 12 . 1 1 624 624 ARG HA H 624 3.834 3.834 3.983 -0.149 18694 5646 1 12 . 1 1 624 624 ARG C C 624 178.521 178.521 178.311 0.210 18694 5647 1 12 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.007 -0.328 18694 5648 1 12 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.860 -1.762 18694 5649 1 12 . 1 1 624 624 ARG H H 624 9.582 9.582 7.832 1.750 18694 5650 1 12 . 1 1 625 625 MET N N 625 120.202 120.202 119.165 1.037 18694 5651 1 12 . 1 1 625 625 MET HA H 625 4.527 4.527 4.026 0.501 18694 5652 1 12 . 1 1 625 625 MET C C 625 178.749 178.749 177.947 0.802 18694 5653 1 12 . 1 1 625 625 MET CA C 625 56.796 56.796 58.665 -1.869 18694 5654 1 12 . 1 1 625 625 MET CB C 625 30.890 30.890 32.375 -1.485 18694 5655 1 12 . 1 1 625 625 MET H H 625 7.953 7.953 8.183 -0.230 18694 5656 1 12 . 1 1 626 626 GLU N N 626 117.897 117.897 119.581 -1.684 18694 5657 1 12 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.826 0.234 18694 5658 1 12 . 1 1 626 626 GLU C C 626 179.640 179.640 179.093 0.547 18694 5659 1 12 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.778 -0.798 18694 5660 1 12 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.151 -0.619 18694 5661 1 12 . 1 1 626 626 GLU H H 626 7.431 7.431 8.375 -0.944 18694 5662 1 12 . 1 1 627 627 ASN N N 627 117.950 117.950 117.862 0.088 18694 5663 1 12 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.464 0.025 18694 5664 1 12 . 1 1 627 627 ASN C C 627 177.540 177.540 177.811 -0.271 18694 5665 1 12 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.985 -0.187 18694 5666 1 12 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.580 -1.076 18694 5667 1 12 . 1 1 627 627 ASN H H 627 7.442 7.442 8.235 -0.793 18694 5668 1 12 . 1 1 628 628 LEU N N 628 124.396 124.396 119.170 5.226 18694 5669 1 12 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.252 -0.063 18694 5670 1 12 . 1 1 628 628 LEU C C 628 177.838 177.838 178.268 -0.430 18694 5671 1 12 . 1 1 628 628 LEU CA C 628 59.342 59.342 57.922 1.420 18694 5672 1 12 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.467 0.235 18694 5673 1 12 . 1 1 628 628 LEU H H 628 7.873 7.873 7.267 0.606 18694 5674 1 12 . 1 1 629 629 VAL N N 629 120.503 120.503 119.843 0.660 18694 5675 1 12 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.601 -0.118 18694 5676 1 12 . 1 1 629 629 VAL C C 629 177.552 177.552 178.364 -0.812 18694 5677 1 12 . 1 1 629 629 VAL CA C 629 67.225 67.225 65.842 1.383 18694 5678 1 12 . 1 1 629 629 VAL CB C 629 31.687 31.687 30.640 1.047 18694 5679 1 12 . 1 1 629 629 VAL H H 629 8.246 8.246 8.129 0.117 18694 5680 1 12 . 1 1 630 630 ALA N N 630 120.687 120.687 123.082 -2.395 18694 5681 1 12 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.943 0.089 18694 5682 1 12 . 1 1 630 630 ALA C C 630 180.849 180.849 178.992 1.857 18694 5683 1 12 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.172 0.242 18694 5684 1 12 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.288 -0.197 18694 5685 1 12 . 1 1 630 630 ALA H H 630 8.159 8.159 8.435 -0.276 18694 5686 1 12 . 1 1 631 631 TYR N N 631 121.083 121.083 119.646 1.437 18694 5687 1 12 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.068 0.171 18694 5688 1 12 . 1 1 631 631 TYR C C 631 177.591 177.591 177.060 0.531 18694 5689 1 12 . 1 1 631 631 TYR CA C 631 61.311 61.311 61.109 0.202 18694 5690 1 12 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.098 0.121 18694 5691 1 12 . 1 1 631 631 TYR H H 631 8.102 8.102 7.913 0.189 18694 5692 1 12 . 1 1 632 632 ALA N N 632 122.444 122.444 121.022 1.422 18694 5693 1 12 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.897 -0.215 18694 5694 1 12 . 1 1 632 632 ALA C C 632 179.014 179.014 179.707 -0.693 18694 5695 1 12 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.126 0.216 18694 5696 1 12 . 1 1 632 632 ALA CB C 632 19.824 19.824 17.984 1.840 18694 5697 1 12 . 1 1 632 632 ALA H H 632 8.292 8.292 7.605 0.687 18694 5698 1 12 . 1 1 633 633 LYS N N 633 115.912 115.912 118.467 -2.555 18694 5699 1 12 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.227 -0.217 18694 5700 1 12 . 1 1 633 633 LYS C C 633 180.004 180.004 179.073 0.931 18694 5701 1 12 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.782 0.922 18694 5702 1 12 . 1 1 633 633 LYS CB C 633 32.667 32.667 32.017 0.650 18694 5703 1 12 . 1 1 633 633 LYS H H 633 8.548 8.548 7.550 0.998 18694 5704 1 12 . 1 1 634 634 LYS N N 634 123.870 123.870 120.034 3.836 18694 5705 1 12 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.976 0.036 18694 5706 1 12 . 1 1 634 634 LYS C C 634 178.603 178.603 178.904 -0.301 18694 5707 1 12 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.828 0.274 18694 5708 1 12 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.862 -0.073 18694 5709 1 12 . 1 1 634 634 LYS H H 634 7.943 7.943 7.924 0.019 18694 5710 1 12 . 1 1 635 635 VAL N N 635 119.215 119.215 119.201 0.014 18694 5711 1 12 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.447 0.229 18694 5712 1 12 . 1 1 635 635 VAL C C 635 178.574 178.574 177.273 1.301 18694 5713 1 12 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.187 -1.087 18694 5714 1 12 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.363 0.247 18694 5715 1 12 . 1 1 635 635 VAL H H 635 8.165 8.165 8.057 0.108 18694 5716 1 12 . 1 1 636 636 GLU N N 636 120.094 120.094 119.708 0.386 18694 5717 1 12 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.087 -0.225 18694 5718 1 12 . 1 1 636 636 GLU C C 636 178.666 178.666 179.299 -0.633 18694 5719 1 12 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.680 2.009 18694 5720 1 12 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.917 -0.198 18694 5721 1 12 . 1 1 636 636 GLU H H 636 8.331 8.331 7.830 0.501 18694 5722 1 12 . 1 1 637 637 GLY N N 637 106.839 106.839 108.539 -1.700 18694 5723 1 12 . 1 1 637 637 GLY C C 637 176.614 176.614 175.963 0.651 18694 5724 1 12 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.838 0.499 18694 5725 1 12 . 1 1 637 637 GLY H H 637 8.145 8.145 7.963 0.182 18694 5726 1 12 . 1 1 638 638 ASP N N 638 122.731 122.731 122.097 0.634 18694 5727 1 12 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.452 0.091 18694 5728 1 12 . 1 1 638 638 ASP C C 638 180.109 180.109 179.103 1.006 18694 5729 1 12 . 1 1 638 638 ASP CA C 638 56.894 56.894 57.009 -0.115 18694 5730 1 12 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.135 -1.047 18694 5731 1 12 . 1 1 638 638 ASP H H 638 8.338 8.338 8.078 0.260 18694 5732 1 12 . 1 1 639 639 MET N N 639 121.055 121.055 118.953 2.102 18694 5733 1 12 . 1 1 639 639 MET HA H 639 4.389 4.389 4.251 0.138 18694 5734 1 12 . 1 1 639 639 MET C C 639 177.737 177.737 178.078 -0.341 18694 5735 1 12 . 1 1 639 639 MET CA C 639 58.675 58.675 56.538 2.137 18694 5736 1 12 . 1 1 639 639 MET CB C 639 32.530 32.530 31.426 1.104 18694 5737 1 12 . 1 1 639 639 MET H H 639 8.193 8.193 8.688 -0.495 18694 5738 1 12 . 1 1 640 640 TYR N N 640 121.235 121.235 120.181 1.054 18694 5739 1 12 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.890 0.408 18694 5740 1 12 . 1 1 640 640 TYR C C 640 178.311 178.311 176.525 1.786 18694 5741 1 12 . 1 1 640 640 TYR CA C 640 61.907 61.907 60.913 0.994 18694 5742 1 12 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.927 1.023 18694 5743 1 12 . 1 1 640 640 TYR H H 640 9.328 9.328 8.136 1.192 18694 5744 1 12 . 1 1 641 641 GLU N N 641 115.098 115.098 116.671 -1.573 18694 5745 1 12 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.840 0.526 18694 5746 1 12 . 1 1 641 641 GLU C C 641 178.006 178.006 179.145 -1.139 18694 5747 1 12 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.364 -0.918 18694 5748 1 12 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.222 0.480 18694 5749 1 12 . 1 1 641 641 GLU H H 641 8.079 8.079 7.748 0.331 18694 5750 1 12 . 1 1 642 642 SER N N 642 112.869 112.869 116.169 -3.300 18694 5751 1 12 . 1 1 642 642 SER HA H 642 4.394 4.394 4.218 0.176 18694 5752 1 12 . 1 1 642 642 SER C C 642 175.251 175.251 176.495 -1.244 18694 5753 1 12 . 1 1 642 642 SER CA C 642 60.175 60.175 60.668 -0.493 18694 5754 1 12 . 1 1 642 642 SER CB C 642 64.388 64.388 63.047 1.341 18694 5755 1 12 . 1 1 642 642 SER H H 642 7.968 7.968 7.650 0.318 18694 5756 1 12 . 1 1 643 643 ALA N N 643 123.763 123.763 123.050 0.713 18694 5757 1 12 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.173 0.054 18694 5758 1 12 . 1 1 643 643 ALA C C 643 177.897 177.897 176.562 1.335 18694 5759 1 12 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.798 -0.199 18694 5760 1 12 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.183 2.509 18694 5761 1 12 . 1 1 643 643 ALA H H 643 8.096 8.096 8.400 -0.304 18694 5762 1 12 . 1 1 644 644 ASN N N 644 117.176 117.176 115.530 1.646 18694 5763 1 12 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.640 0.470 18694 5764 1 12 . 1 1 644 644 ASN C C 644 173.978 173.978 174.741 -0.763 18694 5765 1 12 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.962 -0.608 18694 5766 1 12 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.014 1.205 18694 5767 1 12 . 1 1 644 644 ASN H H 644 9.102 9.102 8.093 1.009 18694 5768 1 12 . 1 1 645 645 SER N N 645 111.225 111.225 114.261 -3.036 18694 5769 1 12 . 1 1 645 645 SER HA H 645 3.632 3.632 4.585 -0.953 18694 5770 1 12 . 1 1 645 645 SER C C 645 171.965 171.965 174.499 -2.534 18694 5771 1 12 . 1 1 645 645 SER CA C 645 56.522 56.522 57.036 -0.514 18694 5772 1 12 . 1 1 645 645 SER CB C 645 64.968 64.968 65.892 -0.924 18694 5773 1 12 . 1 1 645 645 SER H H 645 6.865 6.865 7.398 -0.533 18694 5774 1 12 . 1 1 646 646 ARG N N 646 121.944 121.944 124.918 -2.974 18694 5775 1 12 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.146 -0.960 18694 5776 1 12 . 1 1 646 646 ARG C C 646 177.709 177.709 177.939 -0.230 18694 5777 1 12 . 1 1 646 646 ARG CA C 646 59.031 59.031 60.026 -0.995 18694 5778 1 12 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.718 0.535 18694 5779 1 12 . 1 1 646 646 ARG H H 646 8.685 8.685 8.882 -0.197 18694 5780 1 12 . 1 1 647 647 ASP N N 647 116.817 116.817 118.409 -1.592 18694 5781 1 12 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.512 -0.217 18694 5782 1 12 . 1 1 647 647 ASP C C 647 178.860 178.860 178.517 0.343 18694 5783 1 12 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.834 -0.709 18694 5784 1 12 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.371 -0.082 18694 5785 1 12 . 1 1 647 647 ASP H H 647 8.119 8.119 8.607 -0.488 18694 5786 1 12 . 1 1 648 648 GLU N N 648 121.231 121.231 121.096 0.135 18694 5787 1 12 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.190 -0.200 18694 5788 1 12 . 1 1 648 648 GLU C C 648 177.064 177.064 178.481 -1.417 18694 5789 1 12 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.546 -0.284 18694 5790 1 12 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.328 0.810 18694 5791 1 12 . 1 1 648 648 GLU H H 648 7.799 7.799 8.404 -0.605 18694 5792 1 12 . 1 1 649 649 TYR N N 649 122.045 122.045 121.152 0.893 18694 5793 1 12 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.134 -0.135 18694 5794 1 12 . 1 1 649 649 TYR C C 649 176.140 176.140 177.821 -1.681 18694 5795 1 12 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.406 0.264 18694 5796 1 12 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.149 0.808 18694 5797 1 12 . 1 1 649 649 TYR H H 649 7.338 7.338 8.021 -0.683 18694 5798 1 12 . 1 1 650 650 TYR N N 650 115.581 115.581 116.540 -0.959 18694 5799 1 12 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.929 0.070 18694 5800 1 12 . 1 1 650 650 TYR C C 650 179.058 179.058 178.394 0.664 18694 5801 1 12 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.772 -2.279 18694 5802 1 12 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.672 -0.030 18694 5803 1 12 . 1 1 650 650 TYR H H 650 8.072 8.072 7.828 0.244 18694 5804 1 12 . 1 1 651 651 HIS N N 651 118.435 118.435 119.616 -1.181 18694 5805 1 12 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.297 0.016 18694 5806 1 12 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.213 -0.910 18694 5807 1 12 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.015 -1.759 18694 5808 1 12 . 1 1 651 651 HIS H H 651 8.311 8.311 7.743 0.568 18694 5809 1 12 . 1 1 652 652 LEU N N 652 121.135 121.135 119.932 1.203 18694 5810 1 12 . 1 1 652 652 LEU HA H 652 3.993 3.993 4.015 -0.022 18694 5811 1 12 . 1 1 652 652 LEU C C 652 180.822 180.822 178.890 1.932 18694 5812 1 12 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.190 -0.297 18694 5813 1 12 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.877 0.160 18694 5814 1 12 . 1 1 652 652 LEU H H 652 9.141 9.141 8.264 0.877 18694 5815 1 12 . 1 1 653 653 LEU N N 653 120.947 120.947 118.702 2.245 18694 5816 1 12 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.907 -0.074 18694 5817 1 12 . 1 1 653 653 LEU C C 653 178.085 178.085 178.883 -0.798 18694 5818 1 12 . 1 1 653 653 LEU CA C 653 58.338 58.338 57.880 0.458 18694 5819 1 12 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.400 0.486 18694 5820 1 12 . 1 1 653 653 LEU H H 653 7.769 7.769 7.459 0.310 18694 5821 1 12 . 1 1 654 654 ALA N N 654 120.863 120.863 121.155 -0.292 18694 5822 1 12 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.907 -0.023 18694 5823 1 12 . 1 1 654 654 ALA C C 654 180.274 180.274 179.378 0.896 18694 5824 1 12 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.266 0.090 18694 5825 1 12 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.864 0.326 18694 5826 1 12 . 1 1 654 654 ALA H H 654 8.111 8.111 8.050 0.061 18694 5827 1 12 . 1 1 655 655 GLU N N 655 118.047 118.047 118.011 0.036 18694 5828 1 12 . 1 1 655 655 GLU HA H 655 4.018 4.018 4.059 -0.040 18694 5829 1 12 . 1 1 655 655 GLU C C 655 178.311 178.311 178.661 -0.350 18694 5830 1 12 . 1 1 655 655 GLU CA C 655 59.079 59.079 60.203 -1.123 18694 5831 1 12 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.631 -0.217 18694 5832 1 12 . 1 1 655 655 GLU H H 655 8.363 8.363 7.926 0.437 18694 5833 1 12 . 1 1 656 656 LYS N N 656 120.122 120.122 118.296 1.826 18694 5834 1 12 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.148 -0.098 18694 5835 1 12 . 1 1 656 656 LYS C C 656 178.388 178.388 179.347 -0.959 18694 5836 1 12 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.598 -0.469 18694 5837 1 12 . 1 1 656 656 LYS CB C 656 31.410 31.410 31.633 -0.223 18694 5838 1 12 . 1 1 656 656 LYS H H 656 7.852 7.852 7.449 0.403 18694 5839 1 12 . 1 1 657 657 ILE N N 657 118.294 118.294 120.516 -2.222 18694 5840 1 12 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.719 -0.328 18694 5841 1 12 . 1 1 657 657 ILE C C 657 177.061 177.061 178.078 -1.017 18694 5842 1 12 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.784 0.742 18694 5843 1 12 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.970 -0.070 18694 5844 1 12 . 1 1 657 657 ILE H H 657 8.199 8.199 7.680 0.519 18694 5845 1 12 . 1 1 658 658 TYR N N 658 119.430 119.430 120.663 -1.233 18694 5846 1 12 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.405 -0.102 18694 5847 1 12 . 1 1 658 658 TYR C C 658 177.869 177.869 177.870 -0.001 18694 5848 1 12 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.616 0.253 18694 5849 1 12 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.443 -0.238 18694 5850 1 12 . 1 1 658 658 TYR H H 658 8.066 8.066 7.814 0.252 18694 5851 1 12 . 1 1 659 659 LYS N N 659 118.321 118.321 119.631 -1.310 18694 5852 1 12 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.925 -0.111 18694 5853 1 12 . 1 1 659 659 LYS C C 659 180.019 180.019 179.280 0.739 18694 5854 1 12 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.056 0.805 18694 5855 1 12 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.893 0.798 18694 5856 1 12 . 1 1 659 659 LYS H H 659 8.309 8.309 8.222 0.087 18694 5857 1 12 . 1 1 660 660 ILE N N 660 121.103 121.103 120.324 0.779 18694 5858 1 12 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.717 -0.131 18694 5859 1 12 . 1 1 660 660 ILE C C 660 177.404 177.404 178.137 -0.733 18694 5860 1 12 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.309 0.767 18694 5861 1 12 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.947 0.437 18694 5862 1 12 . 1 1 660 660 ILE H H 660 8.546 8.546 8.065 0.481 18694 5863 1 12 . 1 1 661 661 GLN N N 661 118.093 118.093 118.955 -0.862 18694 5864 1 12 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.892 0.039 18694 5865 1 12 . 1 1 661 661 GLN C C 661 179.682 179.682 178.262 1.420 18694 5866 1 12 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.141 0.728 18694 5867 1 12 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.424 -0.363 18694 5868 1 12 . 1 1 661 661 GLN H H 661 8.554 8.554 8.014 0.540 18694 5869 1 12 . 1 1 662 662 LYS N N 662 119.532 119.532 120.514 -0.982 18694 5870 1 12 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.823 0.138 18694 5871 1 12 . 1 1 662 662 LYS C C 662 178.745 178.745 178.850 -0.105 18694 5872 1 12 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.766 -0.245 18694 5873 1 12 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.859 -0.237 18694 5874 1 12 . 1 1 662 662 LYS H H 662 8.110 8.110 8.077 0.033 18694 5875 1 12 . 1 1 663 663 GLU N N 663 121.313 121.313 119.962 1.351 18694 5876 1 12 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.002 0.019 18694 5877 1 12 . 1 1 663 663 GLU C C 663 179.429 179.429 179.135 0.294 18694 5878 1 12 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.531 -0.038 18694 5879 1 12 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.598 -0.433 18694 5880 1 12 . 1 1 663 663 GLU H H 663 8.011 8.011 8.038 -0.027 18694 5881 1 12 . 1 1 664 664 LEU N N 664 119.460 119.460 120.290 -0.830 18694 5882 1 12 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.915 0.003 18694 5883 1 12 . 1 1 664 664 LEU C C 664 178.785 178.785 179.214 -0.429 18694 5884 1 12 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.130 0.043 18694 5885 1 12 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.551 0.354 18694 5886 1 12 . 1 1 664 664 LEU H H 664 8.342 8.342 8.236 0.106 18694 5887 1 12 . 1 1 665 665 GLU N N 665 118.822 118.822 118.945 -0.123 18694 5888 1 12 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.972 0.001 18694 5889 1 12 . 1 1 665 665 GLU C C 665 179.161 179.161 179.212 -0.051 18694 5890 1 12 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.361 -0.546 18694 5891 1 12 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.372 -0.239 18694 5892 1 12 . 1 1 665 665 GLU H H 665 8.018 8.018 7.889 0.129 18694 5893 1 12 . 1 1 666 666 GLU N N 666 118.722 118.722 119.552 -0.830 18694 5894 1 12 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.070 -0.098 18694 5895 1 12 . 1 1 666 666 GLU C C 666 179.536 179.536 179.665 -0.129 18694 5896 1 12 . 1 1 666 666 GLU CA C 666 58.910 58.910 58.925 -0.015 18694 5897 1 12 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.500 -0.619 18694 5898 1 12 . 1 1 666 666 GLU H H 666 8.014 8.014 8.189 -0.175 18694 5899 1 12 . 1 1 667 667 LYS N N 667 119.177 119.177 118.880 0.297 18694 5900 1 12 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.032 0.109 18694 5901 1 12 . 1 1 667 667 LYS C C 667 179.425 179.425 179.053 0.372 18694 5902 1 12 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.370 -1.987 18694 5903 1 12 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.221 -0.216 18694 5904 1 12 . 1 1 667 667 LYS H H 667 8.056 8.056 8.311 -0.255 18694 5905 1 12 . 1 1 668 668 ARG N N 668 119.491 119.491 117.432 2.059 18694 5906 1 12 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.082 -0.123 18694 5907 1 12 . 1 1 668 668 ARG C C 668 178.260 178.260 176.828 1.432 18694 5908 1 12 . 1 1 668 668 ARG CA C 668 58.964 58.964 57.741 1.223 18694 5909 1 12 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.623 0.588 18694 5910 1 12 . 1 1 668 668 ARG H H 668 8.218 8.218 7.585 0.633 18694 5911 1 12 . 1 1 669 669 ARG N N 669 117.972 117.972 118.614 -0.642 18694 5912 1 12 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.100 0.070 18694 5913 1 12 . 1 1 669 669 ARG C C 669 177.325 177.325 177.535 -0.210 18694 5914 1 12 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.522 -0.971 18694 5915 1 12 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.176 -0.067 18694 5916 1 12 . 1 1 669 669 ARG H H 669 7.793 7.793 7.384 0.409 18694 5917 1 12 . 1 1 670 670 SER N N 670 114.336 114.336 112.072 2.264 18694 5918 1 12 . 1 1 670 670 SER HA H 670 4.410 4.410 4.501 -0.091 18694 5919 1 12 . 1 1 670 670 SER C C 670 174.266 174.266 174.182 0.084 18694 5920 1 12 . 1 1 670 670 SER CA C 670 58.946 58.946 58.527 0.419 18694 5921 1 12 . 1 1 670 670 SER CB C 670 63.814 63.814 64.876 -1.062 18694 5922 1 12 . 1 1 670 670 SER H H 670 7.794 7.794 7.783 0.011 18694 5923 1 12 . 1 1 671 671 ARG N N 671 122.062 122.062 118.848 3.214 18694 5924 1 12 . 1 1 671 671 ARG HA H 671 4.347 4.347 3.986 0.361 18694 5925 1 12 . 1 1 671 671 ARG C C 671 175.272 175.272 174.681 0.591 18694 5926 1 12 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.614 -0.493 18694 5927 1 12 . 1 1 671 671 ARG CB C 671 30.507 30.507 29.618 0.889 18694 5928 1 12 . 1 1 671 671 ARG H H 671 7.740 7.740 7.652 0.088 18694 5929 1 13 . 1 1 587 587 VAL N N 587 119.752 119.752 119.452 0.300 18694 5930 1 13 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.430 -0.332 18694 5931 1 13 . 1 1 587 587 VAL C C 587 176.340 176.340 176.871 -0.531 18694 5932 1 13 . 1 1 587 587 VAL CA C 587 62.229 62.229 60.712 1.517 18694 5933 1 13 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.232 -0.450 18694 5934 1 13 . 1 1 587 587 VAL H H 587 8.027 8.027 8.056 -0.029 18694 5935 1 13 . 1 1 588 588 ARG N N 588 125.669 125.669 121.612 4.057 18694 5936 1 13 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.014 0.308 18694 5937 1 13 . 1 1 588 588 ARG C C 588 176.109 176.109 176.634 -0.525 18694 5938 1 13 . 1 1 588 588 ARG CA C 588 56.167 56.167 57.151 -0.984 18694 5939 1 13 . 1 1 588 588 ARG CB C 588 30.651 30.651 29.712 0.939 18694 5940 1 13 . 1 1 588 588 ARG H H 588 8.528 8.528 8.592 -0.064 18694 5941 1 13 . 1 1 589 589 LYS N N 589 121.018 121.018 119.544 1.474 18694 5942 1 13 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.659 0.527 18694 5943 1 13 . 1 1 589 589 LYS C C 589 177.598 177.598 175.184 2.414 18694 5944 1 13 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.249 -0.326 18694 5945 1 13 . 1 1 589 589 LYS CB C 589 32.589 32.589 30.558 2.031 18694 5946 1 13 . 1 1 589 589 LYS H H 589 8.116 8.116 7.732 0.384 18694 5947 1 13 . 1 1 590 590 GLY N N 590 112.531 112.531 108.194 4.337 18694 5948 1 13 . 1 1 590 590 GLY C C 590 176.465 176.465 173.807 2.658 18694 5949 1 13 . 1 1 590 590 GLY CA C 590 47.196 47.196 43.980 3.216 18694 5950 1 13 . 1 1 590 590 GLY H H 590 8.669 8.669 7.183 1.486 18694 5951 1 13 . 1 1 591 591 TRP N N 591 119.435 119.435 118.030 1.405 18694 5952 1 13 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.572 -0.067 18694 5953 1 13 . 1 1 591 591 TRP C C 591 178.177 178.177 176.686 1.491 18694 5954 1 13 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.621 0.507 18694 5955 1 13 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.048 -1.294 18694 5956 1 13 . 1 1 591 591 TRP H H 591 8.026 8.026 6.737 1.289 18694 5957 1 13 . 1 1 592 592 HIS N N 592 119.340 119.340 116.825 2.515 18694 5958 1 13 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.548 -1.047 18694 5959 1 13 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.595 -0.317 18694 5960 1 13 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.236 -1.752 18694 5961 1 13 . 1 1 592 592 HIS H H 592 7.165 7.165 8.517 -1.352 18694 5962 1 13 . 1 1 593 593 GLU N N 593 116.536 116.536 119.655 -3.119 18694 5963 1 13 . 1 1 593 593 GLU HA H 593 3.980 3.980 3.975 0.005 18694 5964 1 13 . 1 1 593 593 GLU C C 593 176.675 176.675 176.725 -0.050 18694 5965 1 13 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.653 -0.545 18694 5966 1 13 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.023 0.157 18694 5967 1 13 . 1 1 593 593 GLU H H 593 7.726 7.726 8.276 -0.550 18694 5968 1 13 . 1 1 594 594 HIS N N 594 112.885 112.885 114.403 -1.518 18694 5969 1 13 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.687 0.263 18694 5970 1 13 . 1 1 594 594 HIS CA C 594 54.264 54.264 54.992 -0.728 18694 5971 1 13 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.343 0.838 18694 5972 1 13 . 1 1 594 594 HIS H H 594 7.530 7.530 7.944 -0.414 18694 5973 1 13 . 1 1 595 595 VAL N N 595 120.678 120.678 119.717 0.961 18694 5974 1 13 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.355 0.145 18694 5975 1 13 . 1 1 595 595 VAL C C 595 174.593 174.593 175.164 -0.571 18694 5976 1 13 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.097 0.945 18694 5977 1 13 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.289 -0.927 18694 5978 1 13 . 1 1 595 595 VAL H H 595 7.492 7.492 7.581 -0.089 18694 5979 1 13 . 1 1 596 596 THR N N 596 115.525 115.525 119.206 -3.681 18694 5980 1 13 . 1 1 596 596 THR HA H 596 4.494 4.494 4.593 -0.099 18694 5981 1 13 . 1 1 596 596 THR C C 596 175.419 175.419 175.667 -0.248 18694 5982 1 13 . 1 1 596 596 THR CA C 596 60.001 60.001 61.111 -1.111 18694 5983 1 13 . 1 1 596 596 THR CB C 596 71.072 71.072 71.281 -0.209 18694 5984 1 13 . 1 1 596 596 THR H H 596 7.583 7.583 8.367 -0.784 18694 5985 1 13 . 1 1 597 597 GLN N N 597 120.346 120.346 125.400 -5.054 18694 5986 1 13 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.088 -0.270 18694 5987 1 13 . 1 1 597 597 GLN C C 597 178.079 178.079 177.533 0.546 18694 5988 1 13 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.433 -0.679 18694 5989 1 13 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.689 -0.677 18694 5990 1 13 . 1 1 597 597 GLN H H 597 8.929 8.929 8.866 0.063 18694 5991 1 13 . 1 1 598 598 ASP N N 598 117.842 117.842 120.103 -2.261 18694 5992 1 13 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.409 -0.069 18694 5993 1 13 . 1 1 598 598 ASP C C 598 178.494 178.494 178.742 -0.248 18694 5994 1 13 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.643 -0.750 18694 5995 1 13 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.688 -0.154 18694 5996 1 13 . 1 1 598 598 ASP H H 598 8.382 8.382 7.842 0.540 18694 5997 1 13 . 1 1 599 599 LEU N N 599 123.174 123.174 120.092 3.082 18694 5998 1 13 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.031 0.212 18694 5999 1 13 . 1 1 599 599 LEU C C 599 179.129 179.129 178.466 0.663 18694 6000 1 13 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.885 0.558 18694 6001 1 13 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.862 -0.228 18694 6002 1 13 . 1 1 599 599 LEU H H 599 7.671 7.671 7.973 -0.302 18694 6003 1 13 . 1 1 600 600 ARG N N 600 118.132 118.132 118.062 0.070 18694 6004 1 13 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.053 0.269 18694 6005 1 13 . 1 1 600 600 ARG C C 600 179.103 179.103 179.027 0.076 18694 6006 1 13 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.814 0.582 18694 6007 1 13 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.306 0.214 18694 6008 1 13 . 1 1 600 600 ARG H H 600 7.768 7.768 7.709 0.059 18694 6009 1 13 . 1 1 601 601 SER N N 601 112.865 112.865 115.040 -2.175 18694 6010 1 13 . 1 1 601 601 SER HA H 601 4.134 4.134 4.230 -0.096 18694 6011 1 13 . 1 1 601 601 SER C C 601 177.665 177.665 176.361 1.304 18694 6012 1 13 . 1 1 601 601 SER CA C 601 61.534 61.534 61.775 -0.241 18694 6013 1 13 . 1 1 601 601 SER CB C 601 62.758 62.758 63.259 -0.501 18694 6014 1 13 . 1 1 601 601 SER H H 601 8.501 8.501 8.580 -0.079 18694 6015 1 13 . 1 1 602 602 HIS N N 602 121.543 121.543 122.889 -1.346 18694 6016 1 13 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.275 0.218 18694 6017 1 13 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.022 -1.113 18694 6018 1 13 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.059 -1.970 18694 6019 1 13 . 1 1 602 602 HIS H H 602 8.098 8.098 8.131 -0.033 18694 6020 1 13 . 1 1 603 603 LEU N N 603 122.394 122.394 119.062 3.332 18694 6021 1 13 . 1 1 603 603 LEU HA H 603 4.028 4.028 4.032 -0.004 18694 6022 1 13 . 1 1 603 603 LEU C C 603 179.275 179.275 178.912 0.363 18694 6023 1 13 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.880 0.217 18694 6024 1 13 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.566 -1.345 18694 6025 1 13 . 1 1 603 603 LEU H H 603 8.293 8.293 7.686 0.607 18694 6026 1 13 . 1 1 604 604 VAL N N 604 120.325 120.325 119.596 0.729 18694 6027 1 13 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.558 -0.130 18694 6028 1 13 . 1 1 604 604 VAL C C 604 178.026 178.026 178.220 -0.194 18694 6029 1 13 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.350 1.542 18694 6030 1 13 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.654 0.949 18694 6031 1 13 . 1 1 604 604 VAL H H 604 8.409 8.409 7.670 0.739 18694 6032 1 13 . 1 1 605 605 HIS N N 605 116.275 116.275 118.080 -1.805 18694 6033 1 13 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.061 0.191 18694 6034 1 13 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.228 -1.137 18694 6035 1 13 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.592 -1.712 18694 6036 1 13 . 1 1 605 605 HIS H H 605 7.908 7.908 7.863 0.045 18694 6037 1 13 . 1 1 606 606 LYS N N 606 119.506 119.506 119.719 -0.213 18694 6038 1 13 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.021 0.252 18694 6039 1 13 . 1 1 606 606 LYS C C 606 178.947 178.947 179.039 -0.092 18694 6040 1 13 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.055 -0.251 18694 6041 1 13 . 1 1 606 606 LYS H H 606 8.092 8.092 7.654 0.438 18694 6042 1 13 . 1 1 607 607 LEU N N 607 121.321 121.321 121.148 0.173 18694 6043 1 13 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.019 -0.061 18694 6044 1 13 . 1 1 607 607 LEU C C 607 177.899 177.899 178.763 -0.864 18694 6045 1 13 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.895 0.931 18694 6046 1 13 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.055 0.468 18694 6047 1 13 . 1 1 607 607 LEU H H 607 7.994 7.994 7.674 0.320 18694 6048 1 13 . 1 1 608 608 VAL N N 608 118.191 118.191 119.481 -1.290 18694 6049 1 13 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.455 -0.108 18694 6050 1 13 . 1 1 608 608 VAL C C 608 177.033 177.033 177.946 -0.913 18694 6051 1 13 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.870 1.073 18694 6052 1 13 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.561 0.091 18694 6053 1 13 . 1 1 608 608 VAL H H 608 8.036 8.036 8.185 -0.149 18694 6054 1 13 . 1 1 609 609 GLN N N 609 116.772 116.772 119.620 -2.848 18694 6055 1 13 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.133 -0.245 18694 6056 1 13 . 1 1 609 609 GLN C C 609 176.992 176.992 177.385 -0.393 18694 6057 1 13 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.527 -0.419 18694 6058 1 13 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.970 0.183 18694 6059 1 13 . 1 1 609 609 GLN H H 609 8.108 8.108 8.576 -0.468 18694 6060 1 13 . 1 1 610 610 ALA N N 610 119.316 119.316 120.822 -1.506 18694 6061 1 13 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.198 -0.165 18694 6062 1 13 . 1 1 610 610 ALA C C 610 178.498 178.498 178.960 -0.462 18694 6063 1 13 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.511 -0.733 18694 6064 1 13 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.835 0.557 18694 6065 1 13 . 1 1 610 610 ALA H H 610 7.756 7.756 7.787 -0.031 18694 6066 1 13 . 1 1 611 611 ILE N N 611 115.839 115.839 115.659 0.180 18694 6067 1 13 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.071 -0.396 18694 6068 1 13 . 1 1 611 611 ILE C C 611 174.299 174.299 176.619 -2.320 18694 6069 1 13 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.584 0.141 18694 6070 1 13 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.297 0.009 18694 6071 1 13 . 1 1 611 611 ILE H H 611 7.498 7.498 7.456 0.042 18694 6072 1 13 . 1 1 612 612 PHE N N 612 116.531 116.531 119.834 -3.303 18694 6073 1 13 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.013 0.083 18694 6074 1 13 . 1 1 612 612 PHE C C 612 171.610 171.610 173.480 -1.870 18694 6075 1 13 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.802 -3.086 18694 6076 1 13 . 1 1 612 612 PHE CB C 612 39.682 39.682 40.870 -1.188 18694 6077 1 13 . 1 1 612 612 PHE H H 612 8.235 8.235 8.135 0.100 18694 6078 1 13 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.371 0.202 18694 6079 1 13 . 1 1 613 613 PRO C C 613 178.269 178.269 176.587 1.682 18694 6080 1 13 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.886 0.891 18694 6081 1 13 . 1 1 613 613 PRO CB C 613 32.444 32.444 32.070 0.374 18694 6082 1 13 . 1 1 614 614 THR N N 614 109.561 109.561 113.405 -3.844 18694 6083 1 13 . 1 1 614 614 THR HA H 614 4.470 4.470 4.328 0.142 18694 6084 1 13 . 1 1 614 614 THR C C 614 172.048 172.048 172.820 -0.772 18694 6085 1 13 . 1 1 614 614 THR CA C 614 58.106 58.106 58.898 -0.791 18694 6086 1 13 . 1 1 614 614 THR CB C 614 69.549 69.549 68.147 1.402 18694 6087 1 13 . 1 1 614 614 THR H H 614 8.025 8.025 7.324 0.701 18694 6088 1 13 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.408 -0.418 18694 6089 1 13 . 1 1 615 615 PRO C C 615 176.462 176.462 175.871 0.591 18694 6090 1 13 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.180 0.512 18694 6091 1 13 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.482 0.820 18694 6092 1 13 . 1 1 616 616 ASP N N 616 122.743 122.743 122.700 0.043 18694 6093 1 13 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.615 0.138 18694 6094 1 13 . 1 1 616 616 ASP C C 616 174.226 174.226 176.920 -2.694 18694 6095 1 13 . 1 1 616 616 ASP CA C 616 51.858 51.858 52.212 -0.354 18694 6096 1 13 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.793 -2.863 18694 6097 1 13 . 1 1 616 616 ASP H H 616 8.145 8.145 7.663 0.482 18694 6098 1 13 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.252 -0.142 18694 6099 1 13 . 1 1 617 617 PRO C C 617 178.885 178.885 176.912 1.973 18694 6100 1 13 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.877 1.138 18694 6101 1 13 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.000 -0.066 18694 6102 1 13 . 1 1 618 618 ALA N N 618 118.548 118.548 120.139 -1.591 18694 6103 1 13 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.328 -0.245 18694 6104 1 13 . 1 1 618 618 ALA C C 618 180.518 180.518 179.950 0.568 18694 6105 1 13 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.732 0.990 18694 6106 1 13 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.904 -0.713 18694 6107 1 13 . 1 1 618 618 ALA H H 618 8.093 8.093 8.027 0.066 18694 6108 1 13 . 1 1 619 619 ALA N N 619 122.623 122.623 122.619 0.004 18694 6109 1 13 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.122 0.203 18694 6110 1 13 . 1 1 619 619 ALA C C 619 179.318 179.318 179.983 -0.665 18694 6111 1 13 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.713 -0.028 18694 6112 1 13 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.493 0.162 18694 6113 1 13 . 1 1 619 619 ALA H H 619 8.039 8.039 8.925 -0.886 18694 6114 1 13 . 1 1 620 620 LEU N N 620 114.041 114.041 117.011 -2.970 18694 6115 1 13 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.228 -0.181 18694 6116 1 13 . 1 1 620 620 LEU C C 620 178.288 178.288 177.511 0.777 18694 6117 1 13 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.839 0.300 18694 6118 1 13 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.284 0.863 18694 6119 1 13 . 1 1 620 620 LEU H H 620 7.606 7.606 8.274 -0.668 18694 6120 1 13 . 1 1 621 621 LYS N N 621 115.255 115.255 115.580 -0.325 18694 6121 1 13 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.313 0.024 18694 6122 1 13 . 1 1 621 621 LYS C C 621 175.867 175.867 175.734 0.133 18694 6123 1 13 . 1 1 621 621 LYS CA C 621 55.453 55.453 54.976 0.477 18694 6124 1 13 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.130 0.751 18694 6125 1 13 . 1 1 621 621 LYS H H 621 7.272 7.272 7.500 -0.228 18694 6126 1 13 . 1 1 622 622 ASP N N 622 123.382 123.382 121.231 2.151 18694 6127 1 13 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.631 -0.138 18694 6128 1 13 . 1 1 622 622 ASP C C 622 178.117 178.117 176.677 1.440 18694 6129 1 13 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.728 0.156 18694 6130 1 13 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.987 1.000 18694 6131 1 13 . 1 1 622 622 ASP H H 622 7.454 7.454 7.547 -0.093 18694 6132 1 13 . 1 1 623 623 ARG N N 623 130.356 130.356 126.422 3.934 18694 6133 1 13 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.212 -0.125 18694 6134 1 13 . 1 1 623 623 ARG C C 623 178.321 178.321 178.758 -0.437 18694 6135 1 13 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.360 0.429 18694 6136 1 13 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.953 -0.442 18694 6137 1 13 . 1 1 623 623 ARG H H 623 9.107 9.107 8.772 0.335 18694 6138 1 13 . 1 1 624 624 ARG N N 624 119.125 119.125 119.617 -0.492 18694 6139 1 13 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.296 -0.462 18694 6140 1 13 . 1 1 624 624 ARG C C 624 178.521 178.521 178.511 0.010 18694 6141 1 13 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.013 -0.334 18694 6142 1 13 . 1 1 624 624 ARG CB C 624 28.099 28.099 30.040 -1.941 18694 6143 1 13 . 1 1 624 624 ARG H H 624 9.582 9.582 8.636 0.946 18694 6144 1 13 . 1 1 625 625 MET N N 625 120.202 120.202 119.020 1.182 18694 6145 1 13 . 1 1 625 625 MET HA H 625 4.527 4.527 4.075 0.452 18694 6146 1 13 . 1 1 625 625 MET C C 625 178.749 178.749 177.968 0.781 18694 6147 1 13 . 1 1 625 625 MET CA C 625 56.796 56.796 58.177 -1.381 18694 6148 1 13 . 1 1 625 625 MET CB C 625 30.890 30.890 31.894 -1.004 18694 6149 1 13 . 1 1 625 625 MET H H 625 7.953 7.953 7.752 0.201 18694 6150 1 13 . 1 1 626 626 GLU N N 626 117.897 117.897 119.203 -1.306 18694 6151 1 13 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.874 0.186 18694 6152 1 13 . 1 1 626 626 GLU C C 626 179.640 179.640 179.024 0.616 18694 6153 1 13 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.540 -0.560 18694 6154 1 13 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.831 -0.298 18694 6155 1 13 . 1 1 626 626 GLU H H 626 7.431 7.431 7.850 -0.419 18694 6156 1 13 . 1 1 627 627 ASN N N 627 117.950 117.950 118.558 -0.608 18694 6157 1 13 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.440 0.049 18694 6158 1 13 . 1 1 627 627 ASN C C 627 177.540 177.540 177.965 -0.425 18694 6159 1 13 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.989 -0.190 18694 6160 1 13 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.368 -0.864 18694 6161 1 13 . 1 1 627 627 ASN H H 627 7.442 7.442 7.730 -0.288 18694 6162 1 13 . 1 1 628 628 LEU N N 628 124.396 124.396 119.754 4.642 18694 6163 1 13 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.203 -0.014 18694 6164 1 13 . 1 1 628 628 LEU C C 628 177.838 177.838 178.089 -0.251 18694 6165 1 13 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.375 0.967 18694 6166 1 13 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.357 0.344 18694 6167 1 13 . 1 1 628 628 LEU H H 628 7.873 7.873 7.552 0.321 18694 6168 1 13 . 1 1 629 629 VAL N N 629 120.503 120.503 120.352 0.151 18694 6169 1 13 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.516 -0.033 18694 6170 1 13 . 1 1 629 629 VAL C C 629 177.552 177.552 178.089 -0.537 18694 6171 1 13 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.847 0.378 18694 6172 1 13 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.294 0.393 18694 6173 1 13 . 1 1 629 629 VAL H H 629 8.246 8.246 7.587 0.659 18694 6174 1 13 . 1 1 630 630 ALA N N 630 120.687 120.687 122.763 -2.076 18694 6175 1 13 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.007 0.025 18694 6176 1 13 . 1 1 630 630 ALA C C 630 180.849 180.849 179.206 1.643 18694 6177 1 13 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.217 0.197 18694 6178 1 13 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.005 0.087 18694 6179 1 13 . 1 1 630 630 ALA H H 630 8.159 8.159 8.455 -0.296 18694 6180 1 13 . 1 1 631 631 TYR N N 631 121.083 121.083 120.377 0.706 18694 6181 1 13 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.037 0.202 18694 6182 1 13 . 1 1 631 631 TYR C C 631 177.591 177.591 177.300 0.291 18694 6183 1 13 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.946 0.365 18694 6184 1 13 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.205 0.014 18694 6185 1 13 . 1 1 631 631 TYR H H 631 8.102 8.102 8.361 -0.259 18694 6186 1 13 . 1 1 632 632 ALA N N 632 122.444 122.444 121.367 1.077 18694 6187 1 13 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.832 -0.150 18694 6188 1 13 . 1 1 632 632 ALA C C 632 179.014 179.014 179.673 -0.659 18694 6189 1 13 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.308 0.034 18694 6190 1 13 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.085 1.739 18694 6191 1 13 . 1 1 632 632 ALA H H 632 8.292 8.292 7.997 0.295 18694 6192 1 13 . 1 1 633 633 LYS N N 633 115.912 115.912 118.676 -2.764 18694 6193 1 13 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.917 0.093 18694 6194 1 13 . 1 1 633 633 LYS C C 633 180.004 180.004 179.166 0.838 18694 6195 1 13 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.815 0.889 18694 6196 1 13 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.797 0.870 18694 6197 1 13 . 1 1 633 633 LYS H H 633 8.548 8.548 7.990 0.558 18694 6198 1 13 . 1 1 634 634 LYS N N 634 123.870 123.870 119.903 3.967 18694 6199 1 13 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.941 0.071 18694 6200 1 13 . 1 1 634 634 LYS C C 634 178.603 178.603 178.958 -0.355 18694 6201 1 13 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.360 -0.258 18694 6202 1 13 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.283 -0.494 18694 6203 1 13 . 1 1 634 634 LYS H H 634 7.943 7.943 8.098 -0.155 18694 6204 1 13 . 1 1 635 635 VAL N N 635 119.215 119.215 119.551 -0.336 18694 6205 1 13 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.484 0.192 18694 6206 1 13 . 1 1 635 635 VAL C C 635 178.574 178.574 177.638 0.936 18694 6207 1 13 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.490 -0.390 18694 6208 1 13 . 1 1 635 635 VAL CB C 635 31.611 31.611 30.892 0.719 18694 6209 1 13 . 1 1 635 635 VAL H H 635 8.165 8.165 8.208 -0.043 18694 6210 1 13 . 1 1 636 636 GLU N N 636 120.094 120.094 120.364 -0.270 18694 6211 1 13 . 1 1 636 636 GLU HA H 636 3.862 3.862 3.991 -0.129 18694 6212 1 13 . 1 1 636 636 GLU C C 636 178.666 178.666 179.216 -0.550 18694 6213 1 13 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.706 1.983 18694 6214 1 13 . 1 1 636 636 GLU CB C 636 28.719 28.719 29.177 -0.458 18694 6215 1 13 . 1 1 636 636 GLU H H 636 8.331 8.331 8.421 -0.090 18694 6216 1 13 . 1 1 637 637 GLY N N 637 106.839 106.839 107.583 -0.744 18694 6217 1 13 . 1 1 637 637 GLY C C 637 176.614 176.614 175.977 0.637 18694 6218 1 13 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.920 0.417 18694 6219 1 13 . 1 1 637 637 GLY H H 637 8.145 8.145 8.124 0.021 18694 6220 1 13 . 1 1 638 638 ASP N N 638 122.731 122.731 122.791 -0.060 18694 6221 1 13 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.394 0.149 18694 6222 1 13 . 1 1 638 638 ASP C C 638 180.109 180.109 178.721 1.388 18694 6223 1 13 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.774 0.120 18694 6224 1 13 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.172 -1.084 18694 6225 1 13 . 1 1 638 638 ASP H H 638 8.338 8.338 8.044 0.294 18694 6226 1 13 . 1 1 639 639 MET N N 639 121.055 121.055 118.703 2.352 18694 6227 1 13 . 1 1 639 639 MET HA H 639 4.389 4.389 4.198 0.191 18694 6228 1 13 . 1 1 639 639 MET C C 639 177.737 177.737 178.335 -0.598 18694 6229 1 13 . 1 1 639 639 MET CA C 639 58.675 58.675 57.374 1.301 18694 6230 1 13 . 1 1 639 639 MET CB C 639 32.530 32.530 31.601 0.929 18694 6231 1 13 . 1 1 639 639 MET H H 639 8.193 8.193 8.643 -0.450 18694 6232 1 13 . 1 1 640 640 TYR N N 640 121.235 121.235 120.151 1.084 18694 6233 1 13 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.742 0.556 18694 6234 1 13 . 1 1 640 640 TYR C C 640 178.311 178.311 177.439 0.872 18694 6235 1 13 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.372 0.535 18694 6236 1 13 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.514 1.436 18694 6237 1 13 . 1 1 640 640 TYR H H 640 9.328 9.328 8.248 1.080 18694 6238 1 13 . 1 1 641 641 GLU N N 641 115.098 115.098 117.192 -2.094 18694 6239 1 13 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.899 0.467 18694 6240 1 13 . 1 1 641 641 GLU C C 641 178.006 178.006 178.770 -0.764 18694 6241 1 13 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.972 -1.526 18694 6242 1 13 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.009 0.693 18694 6243 1 13 . 1 1 641 641 GLU H H 641 8.079 8.079 7.631 0.448 18694 6244 1 13 . 1 1 642 642 SER N N 642 112.869 112.869 114.938 -2.069 18694 6245 1 13 . 1 1 642 642 SER HA H 642 4.394 4.394 4.273 0.121 18694 6246 1 13 . 1 1 642 642 SER C C 642 175.251 175.251 176.438 -1.187 18694 6247 1 13 . 1 1 642 642 SER CA C 642 60.175 60.175 60.544 -0.369 18694 6248 1 13 . 1 1 642 642 SER CB C 642 64.388 64.388 63.182 1.206 18694 6249 1 13 . 1 1 642 642 SER H H 642 7.968 7.968 7.496 0.472 18694 6250 1 13 . 1 1 643 643 ALA N N 643 123.763 123.763 124.074 -0.311 18694 6251 1 13 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.157 0.070 18694 6252 1 13 . 1 1 643 643 ALA C C 643 177.897 177.897 176.709 1.188 18694 6253 1 13 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.965 -0.366 18694 6254 1 13 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.817 2.875 18694 6255 1 13 . 1 1 643 643 ALA H H 643 8.096 8.096 8.327 -0.231 18694 6256 1 13 . 1 1 644 644 ASN N N 644 117.176 117.176 115.601 1.575 18694 6257 1 13 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.402 0.708 18694 6258 1 13 . 1 1 644 644 ASN C C 644 173.978 173.978 174.809 -0.831 18694 6259 1 13 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.984 -0.630 18694 6260 1 13 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.096 1.123 18694 6261 1 13 . 1 1 644 644 ASN H H 644 9.102 9.102 8.221 0.881 18694 6262 1 13 . 1 1 645 645 SER N N 645 111.225 111.225 114.545 -3.320 18694 6263 1 13 . 1 1 645 645 SER HA H 645 3.632 3.632 4.748 -1.116 18694 6264 1 13 . 1 1 645 645 SER C C 645 171.965 171.965 174.451 -2.486 18694 6265 1 13 . 1 1 645 645 SER CA C 645 56.522 56.522 57.296 -0.774 18694 6266 1 13 . 1 1 645 645 SER CB C 645 64.968 64.968 65.776 -0.808 18694 6267 1 13 . 1 1 645 645 SER H H 645 6.865 6.865 7.449 -0.584 18694 6268 1 13 . 1 1 646 646 ARG N N 646 121.944 121.944 126.394 -4.450 18694 6269 1 13 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.213 -1.027 18694 6270 1 13 . 1 1 646 646 ARG C C 646 177.709 177.709 178.087 -0.378 18694 6271 1 13 . 1 1 646 646 ARG CA C 646 59.031 59.031 60.038 -1.007 18694 6272 1 13 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.880 0.373 18694 6273 1 13 . 1 1 646 646 ARG H H 646 8.685 8.685 8.953 -0.268 18694 6274 1 13 . 1 1 647 647 ASP N N 647 116.817 116.817 118.771 -1.954 18694 6275 1 13 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.581 -0.286 18694 6276 1 13 . 1 1 647 647 ASP C C 647 178.860 178.860 178.660 0.200 18694 6277 1 13 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.309 -0.184 18694 6278 1 13 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.570 -0.281 18694 6279 1 13 . 1 1 647 647 ASP H H 647 8.119 8.119 8.466 -0.347 18694 6280 1 13 . 1 1 648 648 GLU N N 648 121.231 121.231 120.114 1.117 18694 6281 1 13 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.113 -0.123 18694 6282 1 13 . 1 1 648 648 GLU C C 648 177.064 177.064 178.787 -1.723 18694 6283 1 13 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.514 -0.252 18694 6284 1 13 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.449 0.689 18694 6285 1 13 . 1 1 648 648 GLU H H 648 7.799 7.799 8.526 -0.727 18694 6286 1 13 . 1 1 649 649 TYR N N 649 122.045 122.045 121.025 1.020 18694 6287 1 13 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.173 -0.174 18694 6288 1 13 . 1 1 649 649 TYR C C 649 176.140 176.140 177.867 -1.727 18694 6289 1 13 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.997 0.672 18694 6290 1 13 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.252 0.705 18694 6291 1 13 . 1 1 649 649 TYR H H 649 7.338 7.338 8.244 -0.906 18694 6292 1 13 . 1 1 650 650 TYR N N 650 115.581 115.581 116.731 -1.150 18694 6293 1 13 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.000 -0.001 18694 6294 1 13 . 1 1 650 650 TYR C C 650 179.058 179.058 178.261 0.797 18694 6295 1 13 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.632 -2.139 18694 6296 1 13 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.165 -0.523 18694 6297 1 13 . 1 1 650 650 TYR H H 650 8.072 8.072 7.986 0.086 18694 6298 1 13 . 1 1 651 651 HIS N N 651 118.435 118.435 119.792 -1.357 18694 6299 1 13 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.293 0.020 18694 6300 1 13 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.106 -0.803 18694 6301 1 13 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.333 -2.077 18694 6302 1 13 . 1 1 651 651 HIS H H 651 8.311 8.311 7.922 0.389 18694 6303 1 13 . 1 1 652 652 LEU N N 652 121.135 121.135 119.917 1.218 18694 6304 1 13 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.929 0.064 18694 6305 1 13 . 1 1 652 652 LEU C C 652 180.822 180.822 179.012 1.810 18694 6306 1 13 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.321 -0.428 18694 6307 1 13 . 1 1 652 652 LEU CB C 652 42.037 42.037 42.025 0.012 18694 6308 1 13 . 1 1 652 652 LEU H H 652 9.141 9.141 8.231 0.910 18694 6309 1 13 . 1 1 653 653 LEU N N 653 120.947 120.947 118.799 2.148 18694 6310 1 13 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.837 -0.004 18694 6311 1 13 . 1 1 653 653 LEU C C 653 178.085 178.085 178.884 -0.799 18694 6312 1 13 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.095 0.243 18694 6313 1 13 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.333 0.553 18694 6314 1 13 . 1 1 653 653 LEU H H 653 7.769 7.769 7.481 0.288 18694 6315 1 13 . 1 1 654 654 ALA N N 654 120.863 120.863 120.962 -0.099 18694 6316 1 13 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.894 -0.010 18694 6317 1 13 . 1 1 654 654 ALA C C 654 180.274 180.274 179.392 0.882 18694 6318 1 13 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.240 0.116 18694 6319 1 13 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.839 0.351 18694 6320 1 13 . 1 1 654 654 ALA H H 654 8.111 8.111 8.088 0.023 18694 6321 1 13 . 1 1 655 655 GLU N N 655 118.047 118.047 118.655 -0.608 18694 6322 1 13 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.895 0.123 18694 6323 1 13 . 1 1 655 655 GLU C C 655 178.311 178.311 178.719 -0.408 18694 6324 1 13 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.515 -0.436 18694 6325 1 13 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.434 -0.020 18694 6326 1 13 . 1 1 655 655 GLU H H 655 8.363 8.363 7.993 0.370 18694 6327 1 13 . 1 1 656 656 LYS N N 656 120.122 120.122 119.204 0.918 18694 6328 1 13 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.106 -0.056 18694 6329 1 13 . 1 1 656 656 LYS C C 656 178.388 178.388 179.430 -1.042 18694 6330 1 13 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.066 -0.937 18694 6331 1 13 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.129 -0.719 18694 6332 1 13 . 1 1 656 656 LYS H H 656 7.852 7.852 7.623 0.229 18694 6333 1 13 . 1 1 657 657 ILE N N 657 118.294 118.294 120.759 -2.465 18694 6334 1 13 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.709 -0.318 18694 6335 1 13 . 1 1 657 657 ILE C C 657 177.061 177.061 177.880 -0.819 18694 6336 1 13 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.505 1.021 18694 6337 1 13 . 1 1 657 657 ILE CB C 657 37.900 37.900 38.085 -0.185 18694 6338 1 13 . 1 1 657 657 ILE H H 657 8.199 8.199 7.974 0.225 18694 6339 1 13 . 1 1 658 658 TYR N N 658 119.430 119.430 120.874 -1.444 18694 6340 1 13 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.391 -0.088 18694 6341 1 13 . 1 1 658 658 TYR C C 658 177.869 177.869 177.714 0.155 18694 6342 1 13 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.014 0.855 18694 6343 1 13 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.274 -0.069 18694 6344 1 13 . 1 1 658 658 TYR H H 658 8.066 8.066 8.382 -0.316 18694 6345 1 13 . 1 1 659 659 LYS N N 659 118.321 118.321 119.038 -0.717 18694 6346 1 13 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.903 -0.089 18694 6347 1 13 . 1 1 659 659 LYS C C 659 180.019 180.019 179.135 0.884 18694 6348 1 13 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.932 0.928 18694 6349 1 13 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.792 0.899 18694 6350 1 13 . 1 1 659 659 LYS H H 659 8.309 8.309 8.259 0.050 18694 6351 1 13 . 1 1 660 660 ILE N N 660 121.103 121.103 120.297 0.806 18694 6352 1 13 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.640 -0.054 18694 6353 1 13 . 1 1 660 660 ILE C C 660 177.404 177.404 177.856 -0.452 18694 6354 1 13 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.075 1.001 18694 6355 1 13 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.881 0.503 18694 6356 1 13 . 1 1 660 660 ILE H H 660 8.546 8.546 7.875 0.671 18694 6357 1 13 . 1 1 661 661 GLN N N 661 118.093 118.093 118.996 -0.903 18694 6358 1 13 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.889 0.042 18694 6359 1 13 . 1 1 661 661 GLN C C 661 179.682 179.682 178.509 1.173 18694 6360 1 13 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.303 0.565 18694 6361 1 13 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.508 -0.447 18694 6362 1 13 . 1 1 661 661 GLN H H 661 8.554 8.554 7.822 0.732 18694 6363 1 13 . 1 1 662 662 LYS N N 662 119.532 119.532 119.430 0.102 18694 6364 1 13 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.824 0.137 18694 6365 1 13 . 1 1 662 662 LYS C C 662 178.745 178.745 178.982 -0.237 18694 6366 1 13 . 1 1 662 662 LYS CA C 662 58.521 58.521 60.065 -1.544 18694 6367 1 13 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.014 -0.392 18694 6368 1 13 . 1 1 662 662 LYS H H 662 8.110 8.110 8.174 -0.064 18694 6369 1 13 . 1 1 663 663 GLU N N 663 121.313 121.313 119.970 1.343 18694 6370 1 13 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.032 -0.011 18694 6371 1 13 . 1 1 663 663 GLU C C 663 179.429 179.429 179.101 0.328 18694 6372 1 13 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.253 0.240 18694 6373 1 13 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.378 -0.214 18694 6374 1 13 . 1 1 663 663 GLU H H 663 8.011 8.011 7.907 0.104 18694 6375 1 13 . 1 1 664 664 LEU N N 664 119.460 119.460 119.625 -0.165 18694 6376 1 13 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.943 -0.025 18694 6377 1 13 . 1 1 664 664 LEU C C 664 178.785 178.785 178.945 -0.160 18694 6378 1 13 . 1 1 664 664 LEU CA C 664 58.174 58.174 57.940 0.234 18694 6379 1 13 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.545 0.360 18694 6380 1 13 . 1 1 664 664 LEU H H 664 8.342 8.342 8.458 -0.116 18694 6381 1 13 . 1 1 665 665 GLU N N 665 118.822 118.822 119.688 -0.866 18694 6382 1 13 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.902 0.071 18694 6383 1 13 . 1 1 665 665 GLU C C 665 179.161 179.161 179.026 0.135 18694 6384 1 13 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.754 -0.939 18694 6385 1 13 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.502 -0.369 18694 6386 1 13 . 1 1 665 665 GLU H H 665 8.018 8.018 7.950 0.068 18694 6387 1 13 . 1 1 666 666 GLU N N 666 118.722 118.722 119.032 -0.310 18694 6388 1 13 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.043 -0.071 18694 6389 1 13 . 1 1 666 666 GLU C C 666 179.536 179.536 179.256 0.280 18694 6390 1 13 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.058 -0.148 18694 6391 1 13 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.260 -0.379 18694 6392 1 13 . 1 1 666 666 GLU H H 666 8.014 8.014 8.253 -0.239 18694 6393 1 13 . 1 1 667 667 LYS N N 667 119.177 119.177 119.339 -0.162 18694 6394 1 13 . 1 1 667 667 LYS HA H 667 4.141 4.141 3.971 0.170 18694 6395 1 13 . 1 1 667 667 LYS C C 667 179.425 179.425 179.093 0.332 18694 6396 1 13 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.474 -2.091 18694 6397 1 13 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.453 -0.448 18694 6398 1 13 . 1 1 667 667 LYS H H 667 8.056 8.056 8.131 -0.075 18694 6399 1 13 . 1 1 668 668 ARG N N 668 119.491 119.491 116.080 3.411 18694 6400 1 13 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.212 -0.253 18694 6401 1 13 . 1 1 668 668 ARG C C 668 178.260 178.260 178.767 -0.507 18694 6402 1 13 . 1 1 668 668 ARG CA C 668 58.964 58.964 57.805 1.159 18694 6403 1 13 . 1 1 668 668 ARG CB C 668 30.211 30.211 30.006 0.204 18694 6404 1 13 . 1 1 668 668 ARG H H 668 8.218 8.218 7.520 0.698 18694 6405 1 13 . 1 1 669 669 ARG N N 669 117.972 117.972 119.492 -1.520 18694 6406 1 13 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.267 -0.097 18694 6407 1 13 . 1 1 669 669 ARG C C 669 177.325 177.325 177.540 -0.215 18694 6408 1 13 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.333 -0.782 18694 6409 1 13 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.408 -0.299 18694 6410 1 13 . 1 1 669 669 ARG H H 669 7.793 7.793 7.976 -0.183 18694 6411 1 13 . 1 1 670 670 SER N N 670 114.336 114.336 113.491 0.845 18694 6412 1 13 . 1 1 670 670 SER HA H 670 4.410 4.410 4.498 -0.088 18694 6413 1 13 . 1 1 670 670 SER C C 670 174.266 174.266 174.021 0.245 18694 6414 1 13 . 1 1 670 670 SER CA C 670 58.946 58.946 57.271 1.675 18694 6415 1 13 . 1 1 670 670 SER CB C 670 63.814 63.814 63.259 0.555 18694 6416 1 13 . 1 1 670 670 SER H H 670 7.794 7.794 8.067 -0.273 18694 6417 1 13 . 1 1 671 671 ARG N N 671 122.062 122.062 121.761 0.301 18694 6418 1 13 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.082 0.265 18694 6419 1 13 . 1 1 671 671 ARG C C 671 175.272 175.272 175.696 -0.424 18694 6420 1 13 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.905 -0.784 18694 6421 1 13 . 1 1 671 671 ARG CB C 671 30.507 30.507 29.706 0.801 18694 6422 1 13 . 1 1 671 671 ARG H H 671 7.740 7.740 7.210 0.530 18694 6423 1 14 . 1 1 587 587 VAL N N 587 119.752 119.752 119.069 0.683 18694 6424 1 14 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.483 -0.385 18694 6425 1 14 . 1 1 587 587 VAL C C 587 176.340 176.340 176.087 0.253 18694 6426 1 14 . 1 1 587 587 VAL CA C 587 62.229 62.229 61.387 0.842 18694 6427 1 14 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.350 -0.568 18694 6428 1 14 . 1 1 587 587 VAL H H 587 8.027 8.027 7.624 0.403 18694 6429 1 14 . 1 1 588 588 ARG N N 588 125.669 125.669 122.651 3.018 18694 6430 1 14 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.223 0.099 18694 6431 1 14 . 1 1 588 588 ARG C C 588 176.109 176.109 176.671 -0.562 18694 6432 1 14 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.896 -0.729 18694 6433 1 14 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.438 0.213 18694 6434 1 14 . 1 1 588 588 ARG H H 588 8.528 8.528 8.532 -0.004 18694 6435 1 14 . 1 1 589 589 LYS N N 589 121.018 121.018 121.556 -0.538 18694 6436 1 14 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.212 -0.026 18694 6437 1 14 . 1 1 589 589 LYS C C 589 177.598 177.598 174.822 2.776 18694 6438 1 14 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.660 -0.737 18694 6439 1 14 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.147 0.442 18694 6440 1 14 . 1 1 589 589 LYS H H 589 8.116 8.116 7.699 0.416 18694 6441 1 14 . 1 1 590 590 GLY N N 590 112.531 112.531 114.301 -1.770 18694 6442 1 14 . 1 1 590 590 GLY C C 590 176.465 176.465 173.619 2.846 18694 6443 1 14 . 1 1 590 590 GLY CA C 590 47.196 47.196 45.097 2.099 18694 6444 1 14 . 1 1 590 590 GLY H H 590 8.669 8.669 8.263 0.406 18694 6445 1 14 . 1 1 591 591 TRP N N 591 119.435 119.435 119.993 -0.558 18694 6446 1 14 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.504 0.001 18694 6447 1 14 . 1 1 591 591 TRP C C 591 178.177 178.177 175.950 2.227 18694 6448 1 14 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.663 0.465 18694 6449 1 14 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.195 -1.441 18694 6450 1 14 . 1 1 591 591 TRP H H 591 8.026 8.026 7.120 0.906 18694 6451 1 14 . 1 1 592 592 HIS N N 592 119.340 119.340 116.814 2.526 18694 6452 1 14 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.618 -1.117 18694 6453 1 14 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.625 -0.347 18694 6454 1 14 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.279 -1.795 18694 6455 1 14 . 1 1 592 592 HIS H H 592 7.165 7.165 8.608 -1.443 18694 6456 1 14 . 1 1 593 593 GLU N N 593 116.536 116.536 119.982 -3.446 18694 6457 1 14 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.115 -0.135 18694 6458 1 14 . 1 1 593 593 GLU C C 593 176.675 176.675 177.180 -0.505 18694 6459 1 14 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.542 -0.434 18694 6460 1 14 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.433 0.747 18694 6461 1 14 . 1 1 593 593 GLU H H 593 7.726 7.726 8.635 -0.909 18694 6462 1 14 . 1 1 594 594 HIS N N 594 112.885 112.885 115.207 -2.322 18694 6463 1 14 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.727 0.223 18694 6464 1 14 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.398 -1.134 18694 6465 1 14 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.770 0.412 18694 6466 1 14 . 1 1 594 594 HIS H H 594 7.530 7.530 8.449 -0.919 18694 6467 1 14 . 1 1 595 595 VAL N N 595 120.678 120.678 120.144 0.534 18694 6468 1 14 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.368 0.132 18694 6469 1 14 . 1 1 595 595 VAL C C 595 174.593 174.593 175.588 -0.995 18694 6470 1 14 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.189 0.854 18694 6471 1 14 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.651 -1.290 18694 6472 1 14 . 1 1 595 595 VAL H H 595 7.492 7.492 7.696 -0.204 18694 6473 1 14 . 1 1 596 596 THR N N 596 115.525 115.525 120.226 -4.701 18694 6474 1 14 . 1 1 596 596 THR HA H 596 4.494 4.494 4.563 -0.069 18694 6475 1 14 . 1 1 596 596 THR C C 596 175.419 175.419 175.616 -0.197 18694 6476 1 14 . 1 1 596 596 THR CA C 596 60.001 60.001 60.433 -0.432 18694 6477 1 14 . 1 1 596 596 THR CB C 596 71.072 71.072 71.088 -0.016 18694 6478 1 14 . 1 1 596 596 THR H H 596 7.583 7.583 8.607 -1.024 18694 6479 1 14 . 1 1 597 597 GLN N N 597 120.346 120.346 124.360 -4.014 18694 6480 1 14 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.059 -0.241 18694 6481 1 14 . 1 1 597 597 GLN C C 597 178.079 178.079 177.414 0.665 18694 6482 1 14 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.537 -0.783 18694 6483 1 14 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.564 -0.552 18694 6484 1 14 . 1 1 597 597 GLN H H 597 8.929 8.929 8.867 0.062 18694 6485 1 14 . 1 1 598 598 ASP N N 598 117.842 117.842 120.200 -2.358 18694 6486 1 14 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.361 -0.021 18694 6487 1 14 . 1 1 598 598 ASP C C 598 178.494 178.494 178.698 -0.204 18694 6488 1 14 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.573 -0.680 18694 6489 1 14 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.603 -0.070 18694 6490 1 14 . 1 1 598 598 ASP H H 598 8.382 8.382 7.807 0.575 18694 6491 1 14 . 1 1 599 599 LEU N N 599 123.174 123.174 119.878 3.296 18694 6492 1 14 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.014 0.229 18694 6493 1 14 . 1 1 599 599 LEU C C 599 179.129 179.129 178.409 0.720 18694 6494 1 14 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.731 0.712 18694 6495 1 14 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.792 -0.158 18694 6496 1 14 . 1 1 599 599 LEU H H 599 7.671 7.671 8.082 -0.411 18694 6497 1 14 . 1 1 600 600 ARG N N 600 118.132 118.132 118.505 -0.373 18694 6498 1 14 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.097 0.225 18694 6499 1 14 . 1 1 600 600 ARG C C 600 179.103 179.103 179.109 -0.006 18694 6500 1 14 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.540 0.856 18694 6501 1 14 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.239 0.281 18694 6502 1 14 . 1 1 600 600 ARG H H 600 7.768 7.768 7.595 0.173 18694 6503 1 14 . 1 1 601 601 SER N N 601 112.865 112.865 114.712 -1.847 18694 6504 1 14 . 1 1 601 601 SER HA H 601 4.134 4.134 4.173 -0.039 18694 6505 1 14 . 1 1 601 601 SER C C 601 177.665 177.665 176.224 1.441 18694 6506 1 14 . 1 1 601 601 SER CA C 601 61.534 61.534 61.522 0.012 18694 6507 1 14 . 1 1 601 601 SER CB C 601 62.758 62.758 63.205 -0.446 18694 6508 1 14 . 1 1 601 601 SER H H 601 8.501 8.501 8.278 0.223 18694 6509 1 14 . 1 1 602 602 HIS N N 602 121.543 121.543 122.872 -1.329 18694 6510 1 14 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.078 0.415 18694 6511 1 14 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.599 -0.690 18694 6512 1 14 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.025 -1.936 18694 6513 1 14 . 1 1 602 602 HIS H H 602 8.098 8.098 8.042 0.056 18694 6514 1 14 . 1 1 603 603 LEU N N 603 122.394 122.394 118.625 3.769 18694 6515 1 14 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.959 0.069 18694 6516 1 14 . 1 1 603 603 LEU C C 603 179.275 179.275 178.725 0.550 18694 6517 1 14 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.934 0.164 18694 6518 1 14 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.514 -1.292 18694 6519 1 14 . 1 1 603 603 LEU H H 603 8.293 8.293 7.888 0.405 18694 6520 1 14 . 1 1 604 604 VAL N N 604 120.325 120.325 118.147 2.178 18694 6521 1 14 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.552 -0.124 18694 6522 1 14 . 1 1 604 604 VAL C C 604 178.026 178.026 177.913 0.113 18694 6523 1 14 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.939 0.953 18694 6524 1 14 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.422 0.182 18694 6525 1 14 . 1 1 604 604 VAL H H 604 8.409 8.409 7.341 1.068 18694 6526 1 14 . 1 1 605 605 HIS N N 605 116.275 116.275 117.975 -1.700 18694 6527 1 14 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.186 0.066 18694 6528 1 14 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.458 -0.367 18694 6529 1 14 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.510 -1.630 18694 6530 1 14 . 1 1 605 605 HIS H H 605 7.908 7.908 7.657 0.251 18694 6531 1 14 . 1 1 606 606 LYS N N 606 119.506 119.506 119.694 -0.188 18694 6532 1 14 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.034 0.239 18694 6533 1 14 . 1 1 606 606 LYS C C 606 178.947 178.947 178.996 -0.049 18694 6534 1 14 . 1 1 606 606 LYS CA C 606 58.804 58.804 58.929 -0.125 18694 6535 1 14 . 1 1 606 606 LYS H H 606 8.092 8.092 7.614 0.478 18694 6536 1 14 . 1 1 607 607 LEU N N 607 121.321 121.321 121.071 0.250 18694 6537 1 14 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.003 -0.045 18694 6538 1 14 . 1 1 607 607 LEU C C 607 177.899 177.899 178.628 -0.729 18694 6539 1 14 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.927 0.899 18694 6540 1 14 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.069 0.454 18694 6541 1 14 . 1 1 607 607 LEU H H 607 7.994 7.994 7.666 0.328 18694 6542 1 14 . 1 1 608 608 VAL N N 608 118.191 118.191 119.043 -0.852 18694 6543 1 14 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.611 -0.264 18694 6544 1 14 . 1 1 608 608 VAL C C 608 177.033 177.033 178.604 -1.571 18694 6545 1 14 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.281 1.662 18694 6546 1 14 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.894 0.758 18694 6547 1 14 . 1 1 608 608 VAL H H 608 8.036 8.036 7.999 0.037 18694 6548 1 14 . 1 1 609 609 GLN N N 609 116.772 116.772 117.840 -1.068 18694 6549 1 14 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.201 -0.313 18694 6550 1 14 . 1 1 609 609 GLN C C 609 176.992 176.992 177.701 -0.709 18694 6551 1 14 . 1 1 609 609 GLN CA C 609 58.108 58.108 57.853 0.255 18694 6552 1 14 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.171 0.982 18694 6553 1 14 . 1 1 609 609 GLN H H 609 8.108 8.108 8.602 -0.494 18694 6554 1 14 . 1 1 610 610 ALA N N 610 119.316 119.316 120.247 -0.931 18694 6555 1 14 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.191 -0.158 18694 6556 1 14 . 1 1 610 610 ALA C C 610 178.498 178.498 178.583 -0.085 18694 6557 1 14 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.404 -0.626 18694 6558 1 14 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.621 0.771 18694 6559 1 14 . 1 1 610 610 ALA H H 610 7.756 7.756 7.848 -0.092 18694 6560 1 14 . 1 1 611 611 ILE N N 611 115.839 115.839 116.101 -0.262 18694 6561 1 14 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.053 -0.378 18694 6562 1 14 . 1 1 611 611 ILE C C 611 174.299 174.299 176.669 -2.370 18694 6563 1 14 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.468 0.257 18694 6564 1 14 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.007 0.299 18694 6565 1 14 . 1 1 611 611 ILE H H 611 7.498 7.498 7.451 0.047 18694 6566 1 14 . 1 1 612 612 PHE N N 612 116.531 116.531 119.477 -2.946 18694 6567 1 14 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.006 0.090 18694 6568 1 14 . 1 1 612 612 PHE C C 612 171.610 171.610 173.412 -1.802 18694 6569 1 14 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.768 -3.052 18694 6570 1 14 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.057 -1.375 18694 6571 1 14 . 1 1 612 612 PHE H H 612 8.235 8.235 7.963 0.272 18694 6572 1 14 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.373 0.200 18694 6573 1 14 . 1 1 613 613 PRO C C 613 178.269 178.269 176.155 2.114 18694 6574 1 14 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.791 0.987 18694 6575 1 14 . 1 1 613 613 PRO CB C 613 32.444 32.444 32.114 0.330 18694 6576 1 14 . 1 1 614 614 THR N N 614 109.561 109.561 113.250 -3.689 18694 6577 1 14 . 1 1 614 614 THR HA H 614 4.470 4.470 4.437 0.033 18694 6578 1 14 . 1 1 614 614 THR C C 614 172.048 172.048 172.548 -0.500 18694 6579 1 14 . 1 1 614 614 THR CA C 614 58.106 58.106 58.552 -0.446 18694 6580 1 14 . 1 1 614 614 THR CB C 614 69.549 69.549 68.534 1.015 18694 6581 1 14 . 1 1 614 614 THR H H 614 8.025 8.025 7.244 0.781 18694 6582 1 14 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.450 -0.460 18694 6583 1 14 . 1 1 615 615 PRO C C 615 176.462 176.462 175.880 0.582 18694 6584 1 14 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.259 0.433 18694 6585 1 14 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.747 0.555 18694 6586 1 14 . 1 1 616 616 ASP N N 616 122.743 122.743 125.116 -2.373 18694 6587 1 14 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.676 0.077 18694 6588 1 14 . 1 1 616 616 ASP C C 616 174.226 174.226 176.965 -2.739 18694 6589 1 14 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.678 0.180 18694 6590 1 14 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.854 -2.924 18694 6591 1 14 . 1 1 616 616 ASP H H 616 8.145 8.145 7.720 0.425 18694 6592 1 14 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.260 -0.150 18694 6593 1 14 . 1 1 617 617 PRO C C 617 178.885 178.885 176.726 2.159 18694 6594 1 14 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.647 1.368 18694 6595 1 14 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.017 -0.083 18694 6596 1 14 . 1 1 618 618 ALA N N 618 118.548 118.548 119.793 -1.245 18694 6597 1 14 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.337 -0.254 18694 6598 1 14 . 1 1 618 618 ALA C C 618 180.518 180.518 179.839 0.679 18694 6599 1 14 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.457 1.265 18694 6600 1 14 . 1 1 618 618 ALA CB C 618 18.191 18.191 19.227 -1.036 18694 6601 1 14 . 1 1 618 618 ALA H H 618 8.093 8.093 7.906 0.187 18694 6602 1 14 . 1 1 619 619 ALA N N 619 122.623 122.623 122.772 -0.149 18694 6603 1 14 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.112 0.213 18694 6604 1 14 . 1 1 619 619 ALA C C 619 179.318 179.318 179.929 -0.611 18694 6605 1 14 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.764 -0.079 18694 6606 1 14 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.339 0.316 18694 6607 1 14 . 1 1 619 619 ALA H H 619 8.039 8.039 9.176 -1.137 18694 6608 1 14 . 1 1 620 620 LEU N N 620 114.041 114.041 116.655 -2.614 18694 6609 1 14 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.165 -0.118 18694 6610 1 14 . 1 1 620 620 LEU C C 620 178.288 178.288 177.362 0.926 18694 6611 1 14 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.768 0.371 18694 6612 1 14 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.187 0.960 18694 6613 1 14 . 1 1 620 620 LEU H H 620 7.606 7.606 7.925 -0.319 18694 6614 1 14 . 1 1 621 621 LYS N N 621 115.255 115.255 115.511 -0.256 18694 6615 1 14 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.304 0.033 18694 6616 1 14 . 1 1 621 621 LYS C C 621 175.867 175.867 175.594 0.273 18694 6617 1 14 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.566 -0.113 18694 6618 1 14 . 1 1 621 621 LYS CB C 621 32.881 32.881 33.009 -0.128 18694 6619 1 14 . 1 1 621 621 LYS H H 621 7.272 7.272 7.561 -0.289 18694 6620 1 14 . 1 1 622 622 ASP N N 622 123.382 123.382 120.308 3.074 18694 6621 1 14 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.638 -0.145 18694 6622 1 14 . 1 1 622 622 ASP C C 622 178.117 178.117 177.120 0.997 18694 6623 1 14 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.173 0.710 18694 6624 1 14 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.910 1.077 18694 6625 1 14 . 1 1 622 622 ASP H H 622 7.454 7.454 7.791 -0.337 18694 6626 1 14 . 1 1 623 623 ARG N N 623 130.356 130.356 126.202 4.154 18694 6627 1 14 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.185 -0.098 18694 6628 1 14 . 1 1 623 623 ARG C C 623 178.321 178.321 178.567 -0.246 18694 6629 1 14 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.587 0.202 18694 6630 1 14 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.851 -0.340 18694 6631 1 14 . 1 1 623 623 ARG H H 623 9.107 9.107 8.772 0.335 18694 6632 1 14 . 1 1 624 624 ARG N N 624 119.125 119.125 119.499 -0.374 18694 6633 1 14 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.016 -0.182 18694 6634 1 14 . 1 1 624 624 ARG C C 624 178.521 178.521 178.336 0.185 18694 6635 1 14 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.227 -0.548 18694 6636 1 14 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.838 -1.739 18694 6637 1 14 . 1 1 624 624 ARG H H 624 9.582 9.582 8.038 1.544 18694 6638 1 14 . 1 1 625 625 MET N N 625 120.202 120.202 118.885 1.317 18694 6639 1 14 . 1 1 625 625 MET HA H 625 4.527 4.527 4.177 0.350 18694 6640 1 14 . 1 1 625 625 MET C C 625 178.749 178.749 178.006 0.743 18694 6641 1 14 . 1 1 625 625 MET CA C 625 56.796 56.796 58.021 -1.225 18694 6642 1 14 . 1 1 625 625 MET CB C 625 30.890 30.890 32.131 -1.241 18694 6643 1 14 . 1 1 625 625 MET H H 625 7.953 7.953 7.840 0.113 18694 6644 1 14 . 1 1 626 626 GLU N N 626 117.897 117.897 119.870 -1.973 18694 6645 1 14 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.877 0.183 18694 6646 1 14 . 1 1 626 626 GLU C C 626 179.640 179.640 179.113 0.527 18694 6647 1 14 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.719 -0.739 18694 6648 1 14 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.120 -0.588 18694 6649 1 14 . 1 1 626 626 GLU H H 626 7.431 7.431 7.833 -0.402 18694 6650 1 14 . 1 1 627 627 ASN N N 627 117.950 117.950 118.535 -0.585 18694 6651 1 14 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.447 0.042 18694 6652 1 14 . 1 1 627 627 ASN C C 627 177.540 177.540 178.024 -0.484 18694 6653 1 14 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.095 -0.297 18694 6654 1 14 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.625 -1.121 18694 6655 1 14 . 1 1 627 627 ASN H H 627 7.442 7.442 8.227 -0.785 18694 6656 1 14 . 1 1 628 628 LEU N N 628 124.396 124.396 119.774 4.622 18694 6657 1 14 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.244 -0.055 18694 6658 1 14 . 1 1 628 628 LEU C C 628 177.838 177.838 178.418 -0.580 18694 6659 1 14 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.319 1.023 18694 6660 1 14 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.472 0.229 18694 6661 1 14 . 1 1 628 628 LEU H H 628 7.873 7.873 7.499 0.374 18694 6662 1 14 . 1 1 629 629 VAL N N 629 120.503 120.503 120.206 0.297 18694 6663 1 14 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.580 -0.097 18694 6664 1 14 . 1 1 629 629 VAL C C 629 177.552 177.552 177.753 -0.201 18694 6665 1 14 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.838 0.387 18694 6666 1 14 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.088 0.599 18694 6667 1 14 . 1 1 629 629 VAL H H 629 8.246 8.246 7.860 0.386 18694 6668 1 14 . 1 1 630 630 ALA N N 630 120.687 120.687 122.995 -2.308 18694 6669 1 14 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.923 0.109 18694 6670 1 14 . 1 1 630 630 ALA C C 630 180.849 180.849 178.858 1.991 18694 6671 1 14 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.273 0.141 18694 6672 1 14 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.377 -0.285 18694 6673 1 14 . 1 1 630 630 ALA H H 630 8.159 8.159 8.728 -0.569 18694 6674 1 14 . 1 1 631 631 TYR N N 631 121.083 121.083 120.388 0.695 18694 6675 1 14 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.017 0.222 18694 6676 1 14 . 1 1 631 631 TYR C C 631 177.591 177.591 177.214 0.377 18694 6677 1 14 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.876 0.435 18694 6678 1 14 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.129 0.090 18694 6679 1 14 . 1 1 631 631 TYR H H 631 8.102 8.102 8.184 -0.082 18694 6680 1 14 . 1 1 632 632 ALA N N 632 122.444 122.444 121.052 1.392 18694 6681 1 14 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.735 -0.053 18694 6682 1 14 . 1 1 632 632 ALA C C 632 179.014 179.014 179.546 -0.532 18694 6683 1 14 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.117 0.225 18694 6684 1 14 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.096 1.728 18694 6685 1 14 . 1 1 632 632 ALA H H 632 8.292 8.292 7.707 0.585 18694 6686 1 14 . 1 1 633 633 LYS N N 633 115.912 115.912 118.639 -2.727 18694 6687 1 14 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.213 -0.203 18694 6688 1 14 . 1 1 633 633 LYS C C 633 180.004 180.004 179.483 0.521 18694 6689 1 14 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.494 1.210 18694 6690 1 14 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.766 0.901 18694 6691 1 14 . 1 1 633 633 LYS H H 633 8.548 8.548 7.862 0.686 18694 6692 1 14 . 1 1 634 634 LYS N N 634 123.870 123.870 119.596 4.274 18694 6693 1 14 . 1 1 634 634 LYS HA H 634 4.012 4.012 4.013 -0.001 18694 6694 1 14 . 1 1 634 634 LYS C C 634 178.603 178.603 178.955 -0.352 18694 6695 1 14 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.025 0.077 18694 6696 1 14 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.011 -0.223 18694 6697 1 14 . 1 1 634 634 LYS H H 634 7.943 7.943 8.209 -0.266 18694 6698 1 14 . 1 1 635 635 VAL N N 635 119.215 119.215 119.160 0.055 18694 6699 1 14 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.480 0.196 18694 6700 1 14 . 1 1 635 635 VAL C C 635 178.574 178.574 177.372 1.202 18694 6701 1 14 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.527 -0.427 18694 6702 1 14 . 1 1 635 635 VAL CB C 635 31.611 31.611 30.807 0.804 18694 6703 1 14 . 1 1 635 635 VAL H H 635 8.165 8.165 8.030 0.135 18694 6704 1 14 . 1 1 636 636 GLU N N 636 120.094 120.094 119.797 0.297 18694 6705 1 14 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.018 -0.156 18694 6706 1 14 . 1 1 636 636 GLU C C 636 178.666 178.666 179.207 -0.541 18694 6707 1 14 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.698 1.991 18694 6708 1 14 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.865 -0.146 18694 6709 1 14 . 1 1 636 636 GLU H H 636 8.331 8.331 8.386 -0.055 18694 6710 1 14 . 1 1 637 637 GLY N N 637 106.839 106.839 108.350 -1.511 18694 6711 1 14 . 1 1 637 637 GLY C C 637 176.614 176.614 175.794 0.820 18694 6712 1 14 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.771 0.566 18694 6713 1 14 . 1 1 637 637 GLY H H 637 8.145 8.145 7.787 0.358 18694 6714 1 14 . 1 1 638 638 ASP N N 638 122.731 122.731 123.121 -0.390 18694 6715 1 14 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.414 0.129 18694 6716 1 14 . 1 1 638 638 ASP C C 638 180.109 180.109 179.050 1.059 18694 6717 1 14 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.953 -0.059 18694 6718 1 14 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.136 -1.048 18694 6719 1 14 . 1 1 638 638 ASP H H 638 8.338 8.338 8.040 0.298 18694 6720 1 14 . 1 1 639 639 MET N N 639 121.055 121.055 118.706 2.349 18694 6721 1 14 . 1 1 639 639 MET HA H 639 4.389 4.389 4.178 0.211 18694 6722 1 14 . 1 1 639 639 MET C C 639 177.737 177.737 178.075 -0.338 18694 6723 1 14 . 1 1 639 639 MET CA C 639 58.675 58.675 56.605 2.070 18694 6724 1 14 . 1 1 639 639 MET CB C 639 32.530 32.530 31.137 1.393 18694 6725 1 14 . 1 1 639 639 MET H H 639 8.193 8.193 8.722 -0.529 18694 6726 1 14 . 1 1 640 640 TYR N N 640 121.235 121.235 120.519 0.716 18694 6727 1 14 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.701 0.597 18694 6728 1 14 . 1 1 640 640 TYR C C 640 178.311 178.311 177.271 1.040 18694 6729 1 14 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.057 0.850 18694 6730 1 14 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.424 1.526 18694 6731 1 14 . 1 1 640 640 TYR H H 640 9.328 9.328 8.309 1.019 18694 6732 1 14 . 1 1 641 641 GLU N N 641 115.098 115.098 117.969 -2.871 18694 6733 1 14 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.807 0.559 18694 6734 1 14 . 1 1 641 641 GLU C C 641 178.006 178.006 178.863 -0.857 18694 6735 1 14 . 1 1 641 641 GLU CA C 641 57.446 57.446 59.336 -1.890 18694 6736 1 14 . 1 1 641 641 GLU CB C 641 29.702 29.702 28.946 0.756 18694 6737 1 14 . 1 1 641 641 GLU H H 641 8.079 8.079 7.682 0.397 18694 6738 1 14 . 1 1 642 642 SER N N 642 112.869 112.869 115.317 -2.448 18694 6739 1 14 . 1 1 642 642 SER HA H 642 4.394 4.394 4.179 0.215 18694 6740 1 14 . 1 1 642 642 SER C C 642 175.251 175.251 176.366 -1.115 18694 6741 1 14 . 1 1 642 642 SER CA C 642 60.175 60.175 60.590 -0.415 18694 6742 1 14 . 1 1 642 642 SER CB C 642 64.388 64.388 63.049 1.339 18694 6743 1 14 . 1 1 642 642 SER H H 642 7.968 7.968 7.609 0.359 18694 6744 1 14 . 1 1 643 643 ALA N N 643 123.763 123.763 122.904 0.859 18694 6745 1 14 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.094 0.133 18694 6746 1 14 . 1 1 643 643 ALA C C 643 177.897 177.897 176.377 1.520 18694 6747 1 14 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.531 0.068 18694 6748 1 14 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.150 2.542 18694 6749 1 14 . 1 1 643 643 ALA H H 643 8.096 8.096 8.357 -0.261 18694 6750 1 14 . 1 1 644 644 ASN N N 644 117.176 117.176 116.704 0.472 18694 6751 1 14 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.478 0.632 18694 6752 1 14 . 1 1 644 644 ASN C C 644 173.978 173.978 174.336 -0.358 18694 6753 1 14 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.452 -0.098 18694 6754 1 14 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.165 1.054 18694 6755 1 14 . 1 1 644 644 ASN H H 644 9.102 9.102 8.042 1.060 18694 6756 1 14 . 1 1 645 645 SER N N 645 111.225 111.225 110.923 0.302 18694 6757 1 14 . 1 1 645 645 SER HA H 645 3.632 3.632 5.031 -1.399 18694 6758 1 14 . 1 1 645 645 SER C C 645 171.965 171.965 174.612 -2.647 18694 6759 1 14 . 1 1 645 645 SER CA C 645 56.522 56.522 57.125 -0.603 18694 6760 1 14 . 1 1 645 645 SER CB C 645 64.968 64.968 66.399 -1.431 18694 6761 1 14 . 1 1 645 645 SER H H 645 6.865 6.865 7.375 -0.510 18694 6762 1 14 . 1 1 646 646 ARG N N 646 121.944 121.944 123.563 -1.619 18694 6763 1 14 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.309 -1.123 18694 6764 1 14 . 1 1 646 646 ARG C C 646 177.709 177.709 178.540 -0.831 18694 6765 1 14 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.793 -0.762 18694 6766 1 14 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.797 0.456 18694 6767 1 14 . 1 1 646 646 ARG H H 646 8.685 8.685 9.199 -0.514 18694 6768 1 14 . 1 1 647 647 ASP N N 647 116.817 116.817 118.000 -1.183 18694 6769 1 14 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.553 -0.258 18694 6770 1 14 . 1 1 647 647 ASP C C 647 178.860 178.860 178.561 0.299 18694 6771 1 14 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.838 -0.713 18694 6772 1 14 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.670 -0.381 18694 6773 1 14 . 1 1 647 647 ASP H H 647 8.119 8.119 8.631 -0.512 18694 6774 1 14 . 1 1 648 648 GLU N N 648 121.231 121.231 120.472 0.759 18694 6775 1 14 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.118 -0.128 18694 6776 1 14 . 1 1 648 648 GLU C C 648 177.064 177.064 178.546 -1.482 18694 6777 1 14 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.117 0.145 18694 6778 1 14 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.376 0.762 18694 6779 1 14 . 1 1 648 648 GLU H H 648 7.799 7.799 7.736 0.063 18694 6780 1 14 . 1 1 649 649 TYR N N 649 122.045 122.045 121.280 0.765 18694 6781 1 14 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.174 -0.175 18694 6782 1 14 . 1 1 649 649 TYR C C 649 176.140 176.140 177.957 -1.817 18694 6783 1 14 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.945 0.724 18694 6784 1 14 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.242 0.715 18694 6785 1 14 . 1 1 649 649 TYR H H 649 7.338 7.338 8.150 -0.812 18694 6786 1 14 . 1 1 650 650 TYR N N 650 115.581 115.581 117.142 -1.561 18694 6787 1 14 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.995 0.004 18694 6788 1 14 . 1 1 650 650 TYR C C 650 179.058 179.058 178.181 0.877 18694 6789 1 14 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.791 -2.298 18694 6790 1 14 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.048 -0.406 18694 6791 1 14 . 1 1 650 650 TYR H H 650 8.072 8.072 8.208 -0.136 18694 6792 1 14 . 1 1 651 651 HIS N N 651 118.435 118.435 119.995 -1.560 18694 6793 1 14 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.282 0.031 18694 6794 1 14 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.212 -0.909 18694 6795 1 14 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.088 -1.832 18694 6796 1 14 . 1 1 651 651 HIS H H 651 8.311 8.311 7.960 0.351 18694 6797 1 14 . 1 1 652 652 LEU N N 652 121.135 121.135 119.681 1.454 18694 6798 1 14 . 1 1 652 652 LEU HA H 652 3.993 3.993 4.093 -0.100 18694 6799 1 14 . 1 1 652 652 LEU C C 652 180.822 180.822 179.175 1.647 18694 6800 1 14 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.328 -0.435 18694 6801 1 14 . 1 1 652 652 LEU CB C 652 42.037 42.037 42.014 0.023 18694 6802 1 14 . 1 1 652 652 LEU H H 652 9.141 9.141 8.322 0.819 18694 6803 1 14 . 1 1 653 653 LEU N N 653 120.947 120.947 118.885 2.062 18694 6804 1 14 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.866 -0.033 18694 6805 1 14 . 1 1 653 653 LEU C C 653 178.085 178.085 178.840 -0.755 18694 6806 1 14 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.010 0.328 18694 6807 1 14 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.385 0.501 18694 6808 1 14 . 1 1 653 653 LEU H H 653 7.769 7.769 7.476 0.293 18694 6809 1 14 . 1 1 654 654 ALA N N 654 120.863 120.863 121.241 -0.378 18694 6810 1 14 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.612 0.272 18694 6811 1 14 . 1 1 654 654 ALA C C 654 180.274 180.274 179.002 1.272 18694 6812 1 14 . 1 1 654 654 ALA CA C 654 55.356 55.356 54.982 0.374 18694 6813 1 14 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.693 0.497 18694 6814 1 14 . 1 1 654 654 ALA H H 654 8.111 8.111 8.167 -0.056 18694 6815 1 14 . 1 1 655 655 GLU N N 655 118.047 118.047 118.629 -0.582 18694 6816 1 14 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.987 0.031 18694 6817 1 14 . 1 1 655 655 GLU C C 655 178.311 178.311 178.877 -0.566 18694 6818 1 14 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.663 -0.584 18694 6819 1 14 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.526 -0.112 18694 6820 1 14 . 1 1 655 655 GLU H H 655 8.363 8.363 8.328 0.035 18694 6821 1 14 . 1 1 656 656 LYS N N 656 120.122 120.122 118.939 1.183 18694 6822 1 14 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.077 -0.027 18694 6823 1 14 . 1 1 656 656 LYS C C 656 178.388 178.388 179.236 -0.848 18694 6824 1 14 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.439 -1.310 18694 6825 1 14 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.405 -0.995 18694 6826 1 14 . 1 1 656 656 LYS H H 656 7.852 7.852 7.498 0.354 18694 6827 1 14 . 1 1 657 657 ILE N N 657 118.294 118.294 119.810 -1.516 18694 6828 1 14 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.659 -0.268 18694 6829 1 14 . 1 1 657 657 ILE C C 657 177.061 177.061 178.231 -1.170 18694 6830 1 14 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.106 1.420 18694 6831 1 14 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.677 0.223 18694 6832 1 14 . 1 1 657 657 ILE H H 657 8.199 8.199 7.505 0.694 18694 6833 1 14 . 1 1 658 658 TYR N N 658 119.430 119.430 118.113 1.317 18694 6834 1 14 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.142 0.161 18694 6835 1 14 . 1 1 658 658 TYR C C 658 177.869 177.869 178.131 -0.262 18694 6836 1 14 . 1 1 658 658 TYR CA C 658 60.869 60.869 59.322 1.547 18694 6837 1 14 . 1 1 658 658 TYR CB C 658 38.205 38.205 37.047 1.158 18694 6838 1 14 . 1 1 658 658 TYR H H 658 8.066 8.066 7.627 0.439 18694 6839 1 14 . 1 1 659 659 LYS N N 659 118.321 118.321 119.540 -1.219 18694 6840 1 14 . 1 1 659 659 LYS HA H 659 3.814 3.814 4.038 -0.224 18694 6841 1 14 . 1 1 659 659 LYS C C 659 180.019 180.019 179.221 0.798 18694 6842 1 14 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.698 1.162 18694 6843 1 14 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.852 0.839 18694 6844 1 14 . 1 1 659 659 LYS H H 659 8.309 8.309 7.896 0.413 18694 6845 1 14 . 1 1 660 660 ILE N N 660 121.103 121.103 119.594 1.509 18694 6846 1 14 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.700 -0.114 18694 6847 1 14 . 1 1 660 660 ILE C C 660 177.404 177.404 177.532 -0.128 18694 6848 1 14 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.027 1.049 18694 6849 1 14 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.935 0.449 18694 6850 1 14 . 1 1 660 660 ILE H H 660 8.546 8.546 8.364 0.182 18694 6851 1 14 . 1 1 661 661 GLN N N 661 118.093 118.093 118.319 -0.226 18694 6852 1 14 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.973 -0.042 18694 6853 1 14 . 1 1 661 661 GLN C C 661 179.682 179.682 178.492 1.190 18694 6854 1 14 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.330 0.538 18694 6855 1 14 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.555 -0.494 18694 6856 1 14 . 1 1 661 661 GLN H H 661 8.554 8.554 7.755 0.799 18694 6857 1 14 . 1 1 662 662 LYS N N 662 119.532 119.532 119.948 -0.416 18694 6858 1 14 . 1 1 662 662 LYS HA H 662 3.961 3.961 4.000 -0.039 18694 6859 1 14 . 1 1 662 662 LYS C C 662 178.745 178.745 179.177 -0.432 18694 6860 1 14 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.791 -1.270 18694 6861 1 14 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.193 -0.571 18694 6862 1 14 . 1 1 662 662 LYS H H 662 8.110 8.110 7.584 0.526 18694 6863 1 14 . 1 1 663 663 GLU N N 663 121.313 121.313 119.904 1.409 18694 6864 1 14 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.100 -0.079 18694 6865 1 14 . 1 1 663 663 GLU C C 663 179.429 179.429 179.278 0.151 18694 6866 1 14 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.327 0.166 18694 6867 1 14 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.491 -0.327 18694 6868 1 14 . 1 1 663 663 GLU H H 663 8.011 8.011 7.712 0.299 18694 6869 1 14 . 1 1 664 664 LEU N N 664 119.460 119.460 119.694 -0.234 18694 6870 1 14 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.945 -0.027 18694 6871 1 14 . 1 1 664 664 LEU C C 664 178.785 178.785 179.387 -0.602 18694 6872 1 14 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.091 0.083 18694 6873 1 14 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.612 0.293 18694 6874 1 14 . 1 1 664 664 LEU H H 664 8.342 8.342 8.487 -0.145 18694 6875 1 14 . 1 1 665 665 GLU N N 665 118.822 118.822 118.683 0.139 18694 6876 1 14 . 1 1 665 665 GLU HA H 665 3.973 3.973 4.030 -0.057 18694 6877 1 14 . 1 1 665 665 GLU C C 665 179.161 179.161 179.461 -0.300 18694 6878 1 14 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.184 -0.369 18694 6879 1 14 . 1 1 665 665 GLU CB C 665 29.133 29.133 28.984 0.149 18694 6880 1 14 . 1 1 665 665 GLU H H 665 8.018 8.018 7.974 0.044 18694 6881 1 14 . 1 1 666 666 GLU N N 666 118.722 118.722 119.485 -0.763 18694 6882 1 14 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.039 -0.067 18694 6883 1 14 . 1 1 666 666 GLU C C 666 179.536 179.536 179.485 0.051 18694 6884 1 14 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.185 -0.275 18694 6885 1 14 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.498 -0.617 18694 6886 1 14 . 1 1 666 666 GLU H H 666 8.014 8.014 8.346 -0.332 18694 6887 1 14 . 1 1 667 667 LYS N N 667 119.177 119.177 118.487 0.690 18694 6888 1 14 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.128 0.013 18694 6889 1 14 . 1 1 667 667 LYS C C 667 179.425 179.425 178.609 0.816 18694 6890 1 14 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.282 -0.899 18694 6891 1 14 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.060 -0.055 18694 6892 1 14 . 1 1 667 667 LYS H H 667 8.056 8.056 8.292 -0.236 18694 6893 1 14 . 1 1 668 668 ARG N N 668 119.491 119.491 117.516 1.975 18694 6894 1 14 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.394 -0.435 18694 6895 1 14 . 1 1 668 668 ARG C C 668 178.260 178.260 178.431 -0.171 18694 6896 1 14 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.010 0.954 18694 6897 1 14 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.570 0.641 18694 6898 1 14 . 1 1 668 668 ARG H H 668 8.218 8.218 7.787 0.431 18694 6899 1 14 . 1 1 669 669 ARG N N 669 117.972 117.972 119.690 -1.718 18694 6900 1 14 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.056 0.114 18694 6901 1 14 . 1 1 669 669 ARG C C 669 177.325 177.325 177.841 -0.516 18694 6902 1 14 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.721 -1.170 18694 6903 1 14 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.218 -0.109 18694 6904 1 14 . 1 1 669 669 ARG H H 669 7.793 7.793 7.888 -0.095 18694 6905 1 14 . 1 1 670 670 SER N N 670 114.336 114.336 112.572 1.764 18694 6906 1 14 . 1 1 670 670 SER HA H 670 4.410 4.410 4.534 -0.124 18694 6907 1 14 . 1 1 670 670 SER C C 670 174.266 174.266 175.144 -0.878 18694 6908 1 14 . 1 1 670 670 SER CA C 670 58.946 58.946 58.754 0.192 18694 6909 1 14 . 1 1 670 670 SER CB C 670 63.814 63.814 64.762 -0.948 18694 6910 1 14 . 1 1 670 670 SER H H 670 7.794 7.794 7.701 0.093 18694 6911 1 14 . 1 1 671 671 ARG N N 671 122.062 122.062 125.116 -3.054 18694 6912 1 14 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.228 0.119 18694 6913 1 14 . 1 1 671 671 ARG C C 671 175.272 175.272 175.198 0.074 18694 6914 1 14 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.196 -0.075 18694 6915 1 14 . 1 1 671 671 ARG CB C 671 30.507 30.507 28.983 1.524 18694 6916 1 14 . 1 1 671 671 ARG H H 671 7.740 7.740 7.810 -0.070 18694 6917 1 15 . 1 1 587 587 VAL N N 587 119.752 119.752 119.815 -0.063 18694 6918 1 15 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.638 -0.540 18694 6919 1 15 . 1 1 587 587 VAL C C 587 176.340 176.340 176.244 0.096 18694 6920 1 15 . 1 1 587 587 VAL CA C 587 62.229 62.229 61.555 0.674 18694 6921 1 15 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.908 -1.126 18694 6922 1 15 . 1 1 587 587 VAL H H 587 8.027 8.027 8.688 -0.661 18694 6923 1 15 . 1 1 588 588 ARG N N 588 125.669 125.669 121.554 4.115 18694 6924 1 15 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.314 0.008 18694 6925 1 15 . 1 1 588 588 ARG C C 588 176.109 176.109 175.492 0.617 18694 6926 1 15 . 1 1 588 588 ARG CA C 588 56.167 56.167 55.544 0.623 18694 6927 1 15 . 1 1 588 588 ARG CB C 588 30.651 30.651 29.929 0.722 18694 6928 1 15 . 1 1 588 588 ARG H H 588 8.528 8.528 8.511 0.017 18694 6929 1 15 . 1 1 589 589 LYS N N 589 121.018 121.018 121.362 -0.344 18694 6930 1 15 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.765 0.421 18694 6931 1 15 . 1 1 589 589 LYS C C 589 177.598 177.598 175.611 1.987 18694 6932 1 15 . 1 1 589 589 LYS CA C 589 54.923 54.923 56.805 -1.882 18694 6933 1 15 . 1 1 589 589 LYS CB C 589 32.589 32.589 31.882 0.707 18694 6934 1 15 . 1 1 589 589 LYS H H 589 8.116 8.116 7.689 0.427 18694 6935 1 15 . 1 1 590 590 GLY N N 590 112.531 112.531 113.508 -0.977 18694 6936 1 15 . 1 1 590 590 GLY C C 590 176.465 176.465 174.096 2.369 18694 6937 1 15 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.271 2.925 18694 6938 1 15 . 1 1 590 590 GLY H H 590 8.669 8.669 7.849 0.820 18694 6939 1 15 . 1 1 591 591 TRP N N 591 119.435 119.435 122.022 -2.587 18694 6940 1 15 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.520 -0.015 18694 6941 1 15 . 1 1 591 591 TRP C C 591 178.177 178.177 176.565 1.612 18694 6942 1 15 . 1 1 591 591 TRP CA C 591 58.128 58.128 58.245 -0.117 18694 6943 1 15 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.160 -1.406 18694 6944 1 15 . 1 1 591 591 TRP H H 591 8.026 8.026 7.531 0.495 18694 6945 1 15 . 1 1 592 592 HIS N N 592 119.340 119.340 116.561 2.779 18694 6946 1 15 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.984 -1.483 18694 6947 1 15 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.424 -0.146 18694 6948 1 15 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.261 -1.776 18694 6949 1 15 . 1 1 592 592 HIS H H 592 7.165 7.165 8.777 -1.612 18694 6950 1 15 . 1 1 593 593 GLU N N 593 116.536 116.536 119.735 -3.199 18694 6951 1 15 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.179 -0.199 18694 6952 1 15 . 1 1 593 593 GLU C C 593 176.675 176.675 177.055 -0.380 18694 6953 1 15 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.596 -0.488 18694 6954 1 15 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.163 1.016 18694 6955 1 15 . 1 1 593 593 GLU H H 593 7.726 7.726 8.798 -1.072 18694 6956 1 15 . 1 1 594 594 HIS N N 594 112.885 112.885 114.492 -1.607 18694 6957 1 15 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.637 0.313 18694 6958 1 15 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.965 -1.701 18694 6959 1 15 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.324 -0.142 18694 6960 1 15 . 1 1 594 594 HIS H H 594 7.530 7.530 8.679 -1.149 18694 6961 1 15 . 1 1 595 595 VAL N N 595 120.678 120.678 119.177 1.501 18694 6962 1 15 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.308 0.192 18694 6963 1 15 . 1 1 595 595 VAL C C 595 174.593 174.593 174.786 -0.193 18694 6964 1 15 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.398 0.645 18694 6965 1 15 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.280 -0.918 18694 6966 1 15 . 1 1 595 595 VAL H H 595 7.492 7.492 7.825 -0.333 18694 6967 1 15 . 1 1 596 596 THR N N 596 115.525 115.525 116.891 -1.366 18694 6968 1 15 . 1 1 596 596 THR HA H 596 4.494 4.494 4.465 0.029 18694 6969 1 15 . 1 1 596 596 THR C C 596 175.419 175.419 175.668 -0.249 18694 6970 1 15 . 1 1 596 596 THR CA C 596 60.001 60.001 61.028 -1.027 18694 6971 1 15 . 1 1 596 596 THR CB C 596 71.072 71.072 70.753 0.319 18694 6972 1 15 . 1 1 596 596 THR H H 596 7.583 7.583 8.350 -0.767 18694 6973 1 15 . 1 1 597 597 GLN N N 597 120.346 120.346 125.366 -5.020 18694 6974 1 15 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.021 -0.203 18694 6975 1 15 . 1 1 597 597 GLN C C 597 178.079 178.079 177.430 0.649 18694 6976 1 15 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.340 -0.586 18694 6977 1 15 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.547 -0.535 18694 6978 1 15 . 1 1 597 597 GLN H H 597 8.929 8.929 8.913 0.016 18694 6979 1 15 . 1 1 598 598 ASP N N 598 117.842 117.842 119.910 -2.068 18694 6980 1 15 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.360 -0.020 18694 6981 1 15 . 1 1 598 598 ASP C C 598 178.494 178.494 178.499 -0.005 18694 6982 1 15 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.430 -0.537 18694 6983 1 15 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.597 -0.063 18694 6984 1 15 . 1 1 598 598 ASP H H 598 8.382 8.382 7.753 0.629 18694 6985 1 15 . 1 1 599 599 LEU N N 599 123.174 123.174 119.525 3.649 18694 6986 1 15 . 1 1 599 599 LEU HA H 599 4.243 4.243 3.955 0.288 18694 6987 1 15 . 1 1 599 599 LEU C C 599 179.129 179.129 178.395 0.734 18694 6988 1 15 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.151 0.291 18694 6989 1 15 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.897 -0.263 18694 6990 1 15 . 1 1 599 599 LEU H H 599 7.671 7.671 7.391 0.280 18694 6991 1 15 . 1 1 600 600 ARG N N 600 118.132 118.132 117.425 0.707 18694 6992 1 15 . 1 1 600 600 ARG HA H 600 4.322 4.322 3.957 0.365 18694 6993 1 15 . 1 1 600 600 ARG C C 600 179.103 179.103 178.850 0.253 18694 6994 1 15 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.615 0.781 18694 6995 1 15 . 1 1 600 600 ARG CB C 600 30.520 30.520 29.980 0.540 18694 6996 1 15 . 1 1 600 600 ARG H H 600 7.768 7.768 7.592 0.176 18694 6997 1 15 . 1 1 601 601 SER N N 601 112.865 112.865 114.768 -1.903 18694 6998 1 15 . 1 1 601 601 SER HA H 601 4.134 4.134 3.959 0.175 18694 6999 1 15 . 1 1 601 601 SER C C 601 177.665 177.665 176.360 1.305 18694 7000 1 15 . 1 1 601 601 SER CA C 601 61.534 61.534 61.715 -0.181 18694 7001 1 15 . 1 1 601 601 SER CB C 601 62.758 62.758 62.676 0.082 18694 7002 1 15 . 1 1 601 601 SER H H 601 8.501 8.501 8.277 0.224 18694 7003 1 15 . 1 1 602 602 HIS N N 602 121.543 121.543 123.335 -1.792 18694 7004 1 15 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.303 0.190 18694 7005 1 15 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.738 -0.829 18694 7006 1 15 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.051 -1.962 18694 7007 1 15 . 1 1 602 602 HIS H H 602 8.098 8.098 8.203 -0.105 18694 7008 1 15 . 1 1 603 603 LEU N N 603 122.394 122.394 119.344 3.050 18694 7009 1 15 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.953 0.075 18694 7010 1 15 . 1 1 603 603 LEU C C 603 179.275 179.275 178.967 0.308 18694 7011 1 15 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.967 0.130 18694 7012 1 15 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.478 -1.256 18694 7013 1 15 . 1 1 603 603 LEU H H 603 8.293 8.293 7.955 0.338 18694 7014 1 15 . 1 1 604 604 VAL N N 604 120.325 120.325 119.664 0.661 18694 7015 1 15 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.549 -0.121 18694 7016 1 15 . 1 1 604 604 VAL C C 604 178.026 178.026 178.364 -0.338 18694 7017 1 15 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.239 1.653 18694 7018 1 15 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.763 0.840 18694 7019 1 15 . 1 1 604 604 VAL H H 604 8.409 8.409 7.633 0.776 18694 7020 1 15 . 1 1 605 605 HIS N N 605 116.275 116.275 118.325 -2.050 18694 7021 1 15 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.171 0.081 18694 7022 1 15 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.394 -0.303 18694 7023 1 15 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.342 -1.462 18694 7024 1 15 . 1 1 605 605 HIS H H 605 7.908 7.908 7.441 0.467 18694 7025 1 15 . 1 1 606 606 LYS N N 606 119.506 119.506 120.821 -1.315 18694 7026 1 15 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.966 0.307 18694 7027 1 15 . 1 1 606 606 LYS C C 606 178.947 178.947 178.823 0.124 18694 7028 1 15 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.679 -0.875 18694 7029 1 15 . 1 1 606 606 LYS H H 606 8.092 8.092 8.026 0.066 18694 7030 1 15 . 1 1 607 607 LEU N N 607 121.321 121.321 120.493 0.828 18694 7031 1 15 . 1 1 607 607 LEU HA H 607 3.958 3.958 4.002 -0.044 18694 7032 1 15 . 1 1 607 607 LEU C C 607 177.899 177.899 178.488 -0.589 18694 7033 1 15 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.897 0.929 18694 7034 1 15 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.112 0.411 18694 7035 1 15 . 1 1 607 607 LEU H H 607 7.994 7.994 7.873 0.121 18694 7036 1 15 . 1 1 608 608 VAL N N 608 118.191 118.191 118.954 -0.763 18694 7037 1 15 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.605 -0.258 18694 7038 1 15 . 1 1 608 608 VAL C C 608 177.033 177.033 178.750 -1.717 18694 7039 1 15 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.444 1.499 18694 7040 1 15 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.050 0.602 18694 7041 1 15 . 1 1 608 608 VAL H H 608 8.036 8.036 8.073 -0.037 18694 7042 1 15 . 1 1 609 609 GLN N N 609 116.772 116.772 118.218 -1.446 18694 7043 1 15 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.232 -0.344 18694 7044 1 15 . 1 1 609 609 GLN C C 609 176.992 176.992 177.691 -0.699 18694 7045 1 15 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.032 0.076 18694 7046 1 15 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.277 0.876 18694 7047 1 15 . 1 1 609 609 GLN H H 609 8.108 8.108 8.626 -0.518 18694 7048 1 15 . 1 1 610 610 ALA N N 610 119.316 119.316 120.318 -1.002 18694 7049 1 15 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.197 -0.164 18694 7050 1 15 . 1 1 610 610 ALA C C 610 178.498 178.498 178.635 -0.137 18694 7051 1 15 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.452 -0.674 18694 7052 1 15 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.646 0.746 18694 7053 1 15 . 1 1 610 610 ALA H H 610 7.756 7.756 7.718 0.038 18694 7054 1 15 . 1 1 611 611 ILE N N 611 115.839 115.839 115.850 -0.011 18694 7055 1 15 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.086 -0.411 18694 7056 1 15 . 1 1 611 611 ILE C C 611 174.299 174.299 176.580 -2.281 18694 7057 1 15 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.281 0.444 18694 7058 1 15 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.137 0.169 18694 7059 1 15 . 1 1 611 611 ILE H H 611 7.498 7.498 7.449 0.049 18694 7060 1 15 . 1 1 612 612 PHE N N 612 116.531 116.531 119.626 -3.095 18694 7061 1 15 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.027 0.069 18694 7062 1 15 . 1 1 612 612 PHE C C 612 171.610 171.610 173.492 -1.882 18694 7063 1 15 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.660 -2.943 18694 7064 1 15 . 1 1 612 612 PHE CB C 612 39.682 39.682 40.877 -1.195 18694 7065 1 15 . 1 1 612 612 PHE H H 612 8.235 8.235 8.066 0.169 18694 7066 1 15 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.418 0.155 18694 7067 1 15 . 1 1 613 613 PRO C C 613 178.269 178.269 176.444 1.825 18694 7068 1 15 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.991 0.787 18694 7069 1 15 . 1 1 613 613 PRO CB C 613 32.444 32.444 32.156 0.288 18694 7070 1 15 . 1 1 614 614 THR N N 614 109.561 109.561 112.906 -3.345 18694 7071 1 15 . 1 1 614 614 THR HA H 614 4.470 4.470 4.454 0.016 18694 7072 1 15 . 1 1 614 614 THR C C 614 172.048 172.048 172.387 -0.339 18694 7073 1 15 . 1 1 614 614 THR CA C 614 58.106 58.106 58.186 -0.080 18694 7074 1 15 . 1 1 614 614 THR CB C 614 69.549 69.549 68.373 1.177 18694 7075 1 15 . 1 1 614 614 THR H H 614 8.025 8.025 7.204 0.821 18694 7076 1 15 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.404 -0.414 18694 7077 1 15 . 1 1 615 615 PRO C C 615 176.462 176.462 176.084 0.378 18694 7078 1 15 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.229 0.463 18694 7079 1 15 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.270 0.032 18694 7080 1 15 . 1 1 616 616 ASP N N 616 122.743 122.743 124.935 -2.192 18694 7081 1 15 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.646 0.107 18694 7082 1 15 . 1 1 616 616 ASP C C 616 174.226 174.226 176.973 -2.747 18694 7083 1 15 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.691 0.167 18694 7084 1 15 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.835 -2.905 18694 7085 1 15 . 1 1 616 616 ASP H H 616 8.145 8.145 7.682 0.463 18694 7086 1 15 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.214 -0.104 18694 7087 1 15 . 1 1 617 617 PRO C C 617 178.885 178.885 176.537 2.348 18694 7088 1 15 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.975 1.040 18694 7089 1 15 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.828 0.106 18694 7090 1 15 . 1 1 618 618 ALA N N 618 118.548 118.548 120.155 -1.607 18694 7091 1 15 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.331 -0.248 18694 7092 1 15 . 1 1 618 618 ALA C C 618 180.518 180.518 179.552 0.966 18694 7093 1 15 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.043 1.679 18694 7094 1 15 . 1 1 618 618 ALA CB C 618 18.191 18.191 19.319 -1.128 18694 7095 1 15 . 1 1 618 618 ALA H H 618 8.093 8.093 8.049 0.044 18694 7096 1 15 . 1 1 619 619 ALA N N 619 122.623 122.623 123.055 -0.432 18694 7097 1 15 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.127 0.198 18694 7098 1 15 . 1 1 619 619 ALA C C 619 179.318 179.318 179.880 -0.562 18694 7099 1 15 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.809 -0.124 18694 7100 1 15 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.423 0.232 18694 7101 1 15 . 1 1 619 619 ALA H H 619 8.039 8.039 8.936 -0.897 18694 7102 1 15 . 1 1 620 620 LEU N N 620 114.041 114.041 117.177 -3.136 18694 7103 1 15 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.260 -0.213 18694 7104 1 15 . 1 1 620 620 LEU C C 620 178.288 178.288 177.398 0.890 18694 7105 1 15 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.029 0.110 18694 7106 1 15 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.501 0.646 18694 7107 1 15 . 1 1 620 620 LEU H H 620 7.606 7.606 8.137 -0.531 18694 7108 1 15 . 1 1 621 621 LYS N N 621 115.255 115.255 115.687 -0.432 18694 7109 1 15 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.390 -0.053 18694 7110 1 15 . 1 1 621 621 LYS C C 621 175.867 175.867 175.795 0.072 18694 7111 1 15 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.454 -0.001 18694 7112 1 15 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.536 0.345 18694 7113 1 15 . 1 1 621 621 LYS H H 621 7.272 7.272 7.670 -0.398 18694 7114 1 15 . 1 1 622 622 ASP N N 622 123.382 123.382 120.882 2.500 18694 7115 1 15 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.641 -0.148 18694 7116 1 15 . 1 1 622 622 ASP C C 622 178.117 178.117 176.844 1.273 18694 7117 1 15 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.553 0.331 18694 7118 1 15 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.886 1.101 18694 7119 1 15 . 1 1 622 622 ASP H H 622 7.454 7.454 7.738 -0.284 18694 7120 1 15 . 1 1 623 623 ARG N N 623 130.356 130.356 125.483 4.873 18694 7121 1 15 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.237 -0.150 18694 7122 1 15 . 1 1 623 623 ARG C C 623 178.321 178.321 178.813 -0.492 18694 7123 1 15 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.535 0.254 18694 7124 1 15 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.916 -0.405 18694 7125 1 15 . 1 1 623 623 ARG H H 623 9.107 9.107 8.756 0.351 18694 7126 1 15 . 1 1 624 624 ARG N N 624 119.125 119.125 119.395 -0.270 18694 7127 1 15 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.067 -0.233 18694 7128 1 15 . 1 1 624 624 ARG C C 624 178.521 178.521 178.509 0.012 18694 7129 1 15 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.946 -0.266 18694 7130 1 15 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.934 -1.835 18694 7131 1 15 . 1 1 624 624 ARG H H 624 9.582 9.582 8.257 1.325 18694 7132 1 15 . 1 1 625 625 MET N N 625 120.202 120.202 119.106 1.096 18694 7133 1 15 . 1 1 625 625 MET HA H 625 4.527 4.527 4.105 0.422 18694 7134 1 15 . 1 1 625 625 MET C C 625 178.749 178.749 177.427 1.322 18694 7135 1 15 . 1 1 625 625 MET CA C 625 56.796 56.796 59.529 -2.733 18694 7136 1 15 . 1 1 625 625 MET CB C 625 30.890 30.890 32.361 -1.471 18694 7137 1 15 . 1 1 625 625 MET H H 625 7.953 7.953 7.816 0.137 18694 7138 1 15 . 1 1 626 626 GLU N N 626 117.897 117.897 118.201 -0.304 18694 7139 1 15 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.898 0.162 18694 7140 1 15 . 1 1 626 626 GLU C C 626 179.640 179.640 178.841 0.799 18694 7141 1 15 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.970 -0.990 18694 7142 1 15 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.008 -0.476 18694 7143 1 15 . 1 1 626 626 GLU H H 626 7.431 7.431 8.023 -0.592 18694 7144 1 15 . 1 1 627 627 ASN N N 627 117.950 117.950 117.995 -0.045 18694 7145 1 15 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.488 0.001 18694 7146 1 15 . 1 1 627 627 ASN C C 627 177.540 177.540 177.986 -0.446 18694 7147 1 15 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.785 0.013 18694 7148 1 15 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.236 -0.732 18694 7149 1 15 . 1 1 627 627 ASN H H 627 7.442 7.442 7.531 -0.089 18694 7150 1 15 . 1 1 628 628 LEU N N 628 124.396 124.396 121.010 3.386 18694 7151 1 15 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.233 -0.044 18694 7152 1 15 . 1 1 628 628 LEU C C 628 177.838 177.838 178.186 -0.348 18694 7153 1 15 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.335 1.007 18694 7154 1 15 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.591 0.110 18694 7155 1 15 . 1 1 628 628 LEU H H 628 7.873 7.873 7.610 0.263 18694 7156 1 15 . 1 1 629 629 VAL N N 629 120.503 120.503 120.169 0.334 18694 7157 1 15 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.564 -0.081 18694 7158 1 15 . 1 1 629 629 VAL C C 629 177.552 177.552 178.111 -0.559 18694 7159 1 15 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.921 0.304 18694 7160 1 15 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.348 0.339 18694 7161 1 15 . 1 1 629 629 VAL H H 629 8.246 8.246 8.138 0.108 18694 7162 1 15 . 1 1 630 630 ALA N N 630 120.687 120.687 122.863 -2.176 18694 7163 1 15 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.037 -0.005 18694 7164 1 15 . 1 1 630 630 ALA C C 630 180.849 180.849 179.303 1.546 18694 7165 1 15 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.282 0.132 18694 7166 1 15 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.052 0.040 18694 7167 1 15 . 1 1 630 630 ALA H H 630 8.159 8.159 8.526 -0.367 18694 7168 1 15 . 1 1 631 631 TYR N N 631 121.083 121.083 120.312 0.771 18694 7169 1 15 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.093 0.146 18694 7170 1 15 . 1 1 631 631 TYR C C 631 177.591 177.591 177.261 0.330 18694 7171 1 15 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.557 0.754 18694 7172 1 15 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.247 -0.028 18694 7173 1 15 . 1 1 631 631 TYR H H 631 8.102 8.102 8.244 -0.142 18694 7174 1 15 . 1 1 632 632 ALA N N 632 122.444 122.444 121.629 0.815 18694 7175 1 15 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.838 -0.156 18694 7176 1 15 . 1 1 632 632 ALA C C 632 179.014 179.014 179.670 -0.656 18694 7177 1 15 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.372 -0.030 18694 7178 1 15 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.068 1.756 18694 7179 1 15 . 1 1 632 632 ALA H H 632 8.292 8.292 8.294 -0.002 18694 7180 1 15 . 1 1 633 633 LYS N N 633 115.912 115.912 118.776 -2.864 18694 7181 1 15 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.937 0.073 18694 7182 1 15 . 1 1 633 633 LYS C C 633 180.004 180.004 178.939 1.065 18694 7183 1 15 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.536 1.168 18694 7184 1 15 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.791 0.876 18694 7185 1 15 . 1 1 633 633 LYS H H 633 8.548 8.548 8.169 0.379 18694 7186 1 15 . 1 1 634 634 LYS N N 634 123.870 123.870 120.331 3.539 18694 7187 1 15 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.977 0.035 18694 7188 1 15 . 1 1 634 634 LYS C C 634 178.603 178.603 178.673 -0.070 18694 7189 1 15 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.791 0.311 18694 7190 1 15 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.535 0.254 18694 7191 1 15 . 1 1 634 634 LYS H H 634 7.943 7.943 7.944 -0.001 18694 7192 1 15 . 1 1 635 635 VAL N N 635 119.215 119.215 118.634 0.581 18694 7193 1 15 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.514 0.162 18694 7194 1 15 . 1 1 635 635 VAL C C 635 178.574 178.574 177.557 1.017 18694 7195 1 15 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.781 -0.681 18694 7196 1 15 . 1 1 635 635 VAL CB C 635 31.611 31.611 30.965 0.645 18694 7197 1 15 . 1 1 635 635 VAL H H 635 8.165 8.165 8.146 0.019 18694 7198 1 15 . 1 1 636 636 GLU N N 636 120.094 120.094 119.907 0.187 18694 7199 1 15 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.057 -0.195 18694 7200 1 15 . 1 1 636 636 GLU C C 636 178.666 178.666 179.228 -0.562 18694 7201 1 15 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.385 2.304 18694 7202 1 15 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.475 0.244 18694 7203 1 15 . 1 1 636 636 GLU H H 636 8.331 8.331 8.217 0.114 18694 7204 1 15 . 1 1 637 637 GLY N N 637 106.839 106.839 108.286 -1.447 18694 7205 1 15 . 1 1 637 637 GLY C C 637 176.614 176.614 175.984 0.630 18694 7206 1 15 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.895 0.442 18694 7207 1 15 . 1 1 637 637 GLY H H 637 8.145 8.145 8.342 -0.197 18694 7208 1 15 . 1 1 638 638 ASP N N 638 122.731 122.731 123.302 -0.571 18694 7209 1 15 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.410 0.133 18694 7210 1 15 . 1 1 638 638 ASP C C 638 180.109 180.109 178.475 1.634 18694 7211 1 15 . 1 1 638 638 ASP CA C 638 56.894 56.894 57.043 -0.149 18694 7212 1 15 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.086 -0.998 18694 7213 1 15 . 1 1 638 638 ASP H H 638 8.338 8.338 8.066 0.272 18694 7214 1 15 . 1 1 639 639 MET N N 639 121.055 121.055 118.225 2.830 18694 7215 1 15 . 1 1 639 639 MET HA H 639 4.389 4.389 4.184 0.205 18694 7216 1 15 . 1 1 639 639 MET C C 639 177.737 177.737 178.246 -0.509 18694 7217 1 15 . 1 1 639 639 MET CA C 639 58.675 58.675 56.884 1.791 18694 7218 1 15 . 1 1 639 639 MET CB C 639 32.530 32.530 31.498 1.032 18694 7219 1 15 . 1 1 639 639 MET H H 639 8.193 8.193 8.571 -0.378 18694 7220 1 15 . 1 1 640 640 TYR N N 640 121.235 121.235 119.711 1.524 18694 7221 1 15 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.676 0.622 18694 7222 1 15 . 1 1 640 640 TYR C C 640 178.311 178.311 177.157 1.154 18694 7223 1 15 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.029 0.879 18694 7224 1 15 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.753 1.197 18694 7225 1 15 . 1 1 640 640 TYR H H 640 9.328 9.328 8.565 0.763 18694 7226 1 15 . 1 1 641 641 GLU N N 641 115.098 115.098 117.220 -2.122 18694 7227 1 15 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.885 0.481 18694 7228 1 15 . 1 1 641 641 GLU C C 641 178.006 178.006 178.487 -0.481 18694 7229 1 15 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.709 -1.263 18694 7230 1 15 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.258 0.444 18694 7231 1 15 . 1 1 641 641 GLU H H 641 8.079 8.079 7.614 0.466 18694 7232 1 15 . 1 1 642 642 SER N N 642 112.869 112.869 116.212 -3.343 18694 7233 1 15 . 1 1 642 642 SER HA H 642 4.394 4.394 4.216 0.178 18694 7234 1 15 . 1 1 642 642 SER C C 642 175.251 175.251 176.454 -1.203 18694 7235 1 15 . 1 1 642 642 SER CA C 642 60.175 60.175 61.072 -0.897 18694 7236 1 15 . 1 1 642 642 SER CB C 642 64.388 64.388 63.526 0.862 18694 7237 1 15 . 1 1 642 642 SER H H 642 7.968 7.968 7.466 0.502 18694 7238 1 15 . 1 1 643 643 ALA N N 643 123.763 123.763 122.349 1.414 18694 7239 1 15 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.038 0.189 18694 7240 1 15 . 1 1 643 643 ALA C C 643 177.897 177.897 176.943 0.954 18694 7241 1 15 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.747 -0.148 18694 7242 1 15 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.945 2.747 18694 7243 1 15 . 1 1 643 643 ALA H H 643 8.096 8.096 8.247 -0.151 18694 7244 1 15 . 1 1 644 644 ASN N N 644 117.176 117.176 116.443 0.733 18694 7245 1 15 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.631 0.479 18694 7246 1 15 . 1 1 644 644 ASN C C 644 173.978 173.978 174.443 -0.465 18694 7247 1 15 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.721 -0.367 18694 7248 1 15 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.107 1.112 18694 7249 1 15 . 1 1 644 644 ASN H H 644 9.102 9.102 8.248 0.854 18694 7250 1 15 . 1 1 645 645 SER N N 645 111.225 111.225 113.575 -2.350 18694 7251 1 15 . 1 1 645 645 SER HA H 645 3.632 3.632 4.800 -1.168 18694 7252 1 15 . 1 1 645 645 SER C C 645 171.965 171.965 174.124 -2.159 18694 7253 1 15 . 1 1 645 645 SER CA C 645 56.522 56.522 57.536 -1.014 18694 7254 1 15 . 1 1 645 645 SER CB C 645 64.968 64.968 64.866 0.102 18694 7255 1 15 . 1 1 645 645 SER H H 645 6.865 6.865 7.482 -0.617 18694 7256 1 15 . 1 1 646 646 ARG N N 646 121.944 121.944 124.605 -2.661 18694 7257 1 15 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.202 -1.016 18694 7258 1 15 . 1 1 646 646 ARG C C 646 177.709 177.709 178.400 -0.691 18694 7259 1 15 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.990 -0.959 18694 7260 1 15 . 1 1 646 646 ARG CB C 646 30.253 30.253 30.060 0.193 18694 7261 1 15 . 1 1 646 646 ARG H H 646 8.685 8.685 8.975 -0.290 18694 7262 1 15 . 1 1 647 647 ASP N N 647 116.817 116.817 118.728 -1.911 18694 7263 1 15 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.608 -0.313 18694 7264 1 15 . 1 1 647 647 ASP C C 647 178.860 178.860 178.748 0.112 18694 7265 1 15 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.321 -0.196 18694 7266 1 15 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.596 -0.307 18694 7267 1 15 . 1 1 647 647 ASP H H 647 8.119 8.119 8.512 -0.393 18694 7268 1 15 . 1 1 648 648 GLU N N 648 121.231 121.231 120.216 1.015 18694 7269 1 15 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.121 -0.131 18694 7270 1 15 . 1 1 648 648 GLU C C 648 177.064 177.064 178.777 -1.713 18694 7271 1 15 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.533 -0.271 18694 7272 1 15 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.481 0.657 18694 7273 1 15 . 1 1 648 648 GLU H H 648 7.799 7.799 8.473 -0.674 18694 7274 1 15 . 1 1 649 649 TYR N N 649 122.045 122.045 121.139 0.906 18694 7275 1 15 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.153 -0.154 18694 7276 1 15 . 1 1 649 649 TYR C C 649 176.140 176.140 177.944 -1.804 18694 7277 1 15 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.735 0.934 18694 7278 1 15 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.186 0.771 18694 7279 1 15 . 1 1 649 649 TYR H H 649 7.338 7.338 8.361 -1.023 18694 7280 1 15 . 1 1 650 650 TYR N N 650 115.581 115.581 116.772 -1.191 18694 7281 1 15 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.018 -0.019 18694 7282 1 15 . 1 1 650 650 TYR C C 650 179.058 179.058 178.295 0.763 18694 7283 1 15 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.732 -2.239 18694 7284 1 15 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.114 -0.472 18694 7285 1 15 . 1 1 650 650 TYR H H 650 8.072 8.072 8.031 0.041 18694 7286 1 15 . 1 1 651 651 HIS N N 651 118.435 118.435 119.910 -1.475 18694 7287 1 15 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.305 0.008 18694 7288 1 15 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.207 -0.904 18694 7289 1 15 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.371 -2.115 18694 7290 1 15 . 1 1 651 651 HIS H H 651 8.311 8.311 7.942 0.369 18694 7291 1 15 . 1 1 652 652 LEU N N 652 121.135 121.135 119.679 1.456 18694 7292 1 15 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.936 0.057 18694 7293 1 15 . 1 1 652 652 LEU C C 652 180.822 180.822 179.238 1.584 18694 7294 1 15 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.340 -0.447 18694 7295 1 15 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.990 0.047 18694 7296 1 15 . 1 1 652 652 LEU H H 652 9.141 9.141 8.336 0.805 18694 7297 1 15 . 1 1 653 653 LEU N N 653 120.947 120.947 118.999 1.948 18694 7298 1 15 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.870 -0.037 18694 7299 1 15 . 1 1 653 653 LEU C C 653 178.085 178.085 178.903 -0.818 18694 7300 1 15 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.097 0.241 18694 7301 1 15 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.370 0.516 18694 7302 1 15 . 1 1 653 653 LEU H H 653 7.769 7.769 7.540 0.229 18694 7303 1 15 . 1 1 654 654 ALA N N 654 120.863 120.863 121.351 -0.488 18694 7304 1 15 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.926 -0.042 18694 7305 1 15 . 1 1 654 654 ALA C C 654 180.274 180.274 179.430 0.844 18694 7306 1 15 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.308 0.048 18694 7307 1 15 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.903 0.287 18694 7308 1 15 . 1 1 654 654 ALA H H 654 8.111 8.111 8.310 -0.199 18694 7309 1 15 . 1 1 655 655 GLU N N 655 118.047 118.047 118.719 -0.672 18694 7310 1 15 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.920 0.098 18694 7311 1 15 . 1 1 655 655 GLU C C 655 178.311 178.311 178.495 -0.184 18694 7312 1 15 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.370 -0.291 18694 7313 1 15 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.342 0.072 18694 7314 1 15 . 1 1 655 655 GLU H H 655 8.363 8.363 8.277 0.086 18694 7315 1 15 . 1 1 656 656 LYS N N 656 120.122 120.122 119.787 0.335 18694 7316 1 15 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.079 -0.029 18694 7317 1 15 . 1 1 656 656 LYS C C 656 178.388 178.388 179.118 -0.730 18694 7318 1 15 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.378 -1.249 18694 7319 1 15 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.342 -0.932 18694 7320 1 15 . 1 1 656 656 LYS H H 656 7.852 7.852 7.704 0.148 18694 7321 1 15 . 1 1 657 657 ILE N N 657 118.294 118.294 119.823 -1.529 18694 7322 1 15 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.686 -0.295 18694 7323 1 15 . 1 1 657 657 ILE C C 657 177.061 177.061 178.007 -0.946 18694 7324 1 15 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.445 1.081 18694 7325 1 15 . 1 1 657 657 ILE CB C 657 37.900 37.900 38.038 -0.137 18694 7326 1 15 . 1 1 657 657 ILE H H 657 8.199 8.199 8.054 0.145 18694 7327 1 15 . 1 1 658 658 TYR N N 658 119.430 119.430 120.449 -1.019 18694 7328 1 15 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.169 0.134 18694 7329 1 15 . 1 1 658 658 TYR C C 658 177.869 177.869 177.595 0.274 18694 7330 1 15 . 1 1 658 658 TYR CA C 658 60.869 60.869 59.504 1.365 18694 7331 1 15 . 1 1 658 658 TYR CB C 658 38.205 38.205 37.987 0.218 18694 7332 1 15 . 1 1 658 658 TYR H H 658 8.066 8.066 8.092 -0.026 18694 7333 1 15 . 1 1 659 659 LYS N N 659 118.321 118.321 119.284 -0.963 18694 7334 1 15 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.819 -0.005 18694 7335 1 15 . 1 1 659 659 LYS C C 659 180.019 180.019 179.330 0.689 18694 7336 1 15 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.227 0.633 18694 7337 1 15 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.745 0.946 18694 7338 1 15 . 1 1 659 659 LYS H H 659 8.309 8.309 7.782 0.527 18694 7339 1 15 . 1 1 660 660 ILE N N 660 121.103 121.103 120.252 0.851 18694 7340 1 15 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.683 -0.097 18694 7341 1 15 . 1 1 660 660 ILE C C 660 177.404 177.404 177.904 -0.500 18694 7342 1 15 . 1 1 660 660 ILE CA C 660 66.076 66.076 64.854 1.222 18694 7343 1 15 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.927 0.457 18694 7344 1 15 . 1 1 660 660 ILE H H 660 8.546 8.546 7.641 0.905 18694 7345 1 15 . 1 1 661 661 GLN N N 661 118.093 118.093 119.103 -1.010 18694 7346 1 15 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.932 -0.001 18694 7347 1 15 . 1 1 661 661 GLN C C 661 179.682 179.682 178.452 1.230 18694 7348 1 15 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.340 0.528 18694 7349 1 15 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.603 -0.542 18694 7350 1 15 . 1 1 661 661 GLN H H 661 8.554 8.554 7.885 0.669 18694 7351 1 15 . 1 1 662 662 LYS N N 662 119.532 119.532 119.596 -0.064 18694 7352 1 15 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.826 0.135 18694 7353 1 15 . 1 1 662 662 LYS C C 662 178.745 178.745 178.983 -0.238 18694 7354 1 15 . 1 1 662 662 LYS CA C 662 58.521 58.521 60.241 -1.720 18694 7355 1 15 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.015 -0.393 18694 7356 1 15 . 1 1 662 662 LYS H H 662 8.110 8.110 8.286 -0.176 18694 7357 1 15 . 1 1 663 663 GLU N N 663 121.313 121.313 119.845 1.468 18694 7358 1 15 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.012 0.009 18694 7359 1 15 . 1 1 663 663 GLU C C 663 179.429 179.429 179.044 0.385 18694 7360 1 15 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.664 -0.171 18694 7361 1 15 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.542 -0.378 18694 7362 1 15 . 1 1 663 663 GLU H H 663 8.011 8.011 7.632 0.379 18694 7363 1 15 . 1 1 664 664 LEU N N 664 119.460 119.460 120.030 -0.570 18694 7364 1 15 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.931 -0.013 18694 7365 1 15 . 1 1 664 664 LEU C C 664 178.785 178.785 179.419 -0.634 18694 7366 1 15 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.107 0.067 18694 7367 1 15 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.683 0.222 18694 7368 1 15 . 1 1 664 664 LEU H H 664 8.342 8.342 8.170 0.172 18694 7369 1 15 . 1 1 665 665 GLU N N 665 118.822 118.822 118.477 0.345 18694 7370 1 15 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.996 -0.023 18694 7371 1 15 . 1 1 665 665 GLU C C 665 179.161 179.161 179.286 -0.125 18694 7372 1 15 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.349 -0.534 18694 7373 1 15 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.090 0.043 18694 7374 1 15 . 1 1 665 665 GLU H H 665 8.018 8.018 8.174 -0.156 18694 7375 1 15 . 1 1 666 666 GLU N N 666 118.722 118.722 119.778 -1.056 18694 7376 1 15 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.038 -0.066 18694 7377 1 15 . 1 1 666 666 GLU C C 666 179.536 179.536 178.936 0.600 18694 7378 1 15 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.239 -0.329 18694 7379 1 15 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.515 -0.634 18694 7380 1 15 . 1 1 666 666 GLU H H 666 8.014 8.014 8.194 -0.180 18694 7381 1 15 . 1 1 667 667 LYS N N 667 119.177 119.177 117.325 1.852 18694 7382 1 15 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.084 0.057 18694 7383 1 15 . 1 1 667 667 LYS C C 667 179.425 179.425 179.681 -0.256 18694 7384 1 15 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.917 -1.534 18694 7385 1 15 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.154 -0.149 18694 7386 1 15 . 1 1 667 667 LYS H H 667 8.056 8.056 8.221 -0.165 18694 7387 1 15 . 1 1 668 668 ARG N N 668 119.491 119.491 119.450 0.041 18694 7388 1 15 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.170 -0.211 18694 7389 1 15 . 1 1 668 668 ARG C C 668 178.260 178.260 178.502 -0.242 18694 7390 1 15 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.494 0.470 18694 7391 1 15 . 1 1 668 668 ARG CB C 668 30.211 30.211 30.046 0.165 18694 7392 1 15 . 1 1 668 668 ARG H H 668 8.218 8.218 7.953 0.265 18694 7393 1 15 . 1 1 669 669 ARG N N 669 117.972 117.972 120.467 -2.495 18694 7394 1 15 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.142 0.028 18694 7395 1 15 . 1 1 669 669 ARG C C 669 177.325 177.325 177.448 -0.123 18694 7396 1 15 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.738 -1.187 18694 7397 1 15 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.165 -0.056 18694 7398 1 15 . 1 1 669 669 ARG H H 669 7.793 7.793 8.101 -0.308 18694 7399 1 15 . 1 1 670 670 SER N N 670 114.336 114.336 112.948 1.388 18694 7400 1 15 . 1 1 670 670 SER HA H 670 4.410 4.410 4.424 -0.014 18694 7401 1 15 . 1 1 670 670 SER C C 670 174.266 174.266 174.336 -0.070 18694 7402 1 15 . 1 1 670 670 SER CA C 670 58.946 58.946 57.919 1.027 18694 7403 1 15 . 1 1 670 670 SER CB C 670 63.814 63.814 63.640 0.174 18694 7404 1 15 . 1 1 670 670 SER H H 670 7.794 7.794 7.587 0.207 18694 7405 1 15 . 1 1 671 671 ARG N N 671 122.062 122.062 120.616 1.446 18694 7406 1 15 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.235 0.112 18694 7407 1 15 . 1 1 671 671 ARG C C 671 175.272 175.272 175.626 -0.354 18694 7408 1 15 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.315 -0.194 18694 7409 1 15 . 1 1 671 671 ARG CB C 671 30.507 30.507 30.515 -0.008 18694 7410 1 15 . 1 1 671 671 ARG H H 671 7.740 7.740 7.194 0.546 18694 7411 1 16 . 1 1 587 587 VAL N N 587 119.752 119.752 118.421 1.331 18694 7412 1 16 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.578 -0.480 18694 7413 1 16 . 1 1 587 587 VAL C C 587 176.340 176.340 175.301 1.039 18694 7414 1 16 . 1 1 587 587 VAL CA C 587 62.229 62.229 59.691 2.538 18694 7415 1 16 . 1 1 587 587 VAL CB C 587 32.782 32.782 34.688 -1.906 18694 7416 1 16 . 1 1 587 587 VAL H H 587 8.027 8.027 7.684 0.343 18694 7417 1 16 . 1 1 588 588 ARG N N 588 125.669 125.669 119.081 6.588 18694 7418 1 16 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.465 -0.143 18694 7419 1 16 . 1 1 588 588 ARG C C 588 176.109 176.109 175.783 0.326 18694 7420 1 16 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.987 -0.820 18694 7421 1 16 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.038 0.613 18694 7422 1 16 . 1 1 588 588 ARG H H 588 8.528 8.528 8.424 0.104 18694 7423 1 16 . 1 1 589 589 LYS N N 589 121.018 121.018 120.168 0.850 18694 7424 1 16 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.138 0.048 18694 7425 1 16 . 1 1 589 589 LYS C C 589 177.598 177.598 175.243 2.355 18694 7426 1 16 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.633 -0.710 18694 7427 1 16 . 1 1 589 589 LYS CB C 589 32.589 32.589 33.170 -0.582 18694 7428 1 16 . 1 1 589 589 LYS H H 589 8.116 8.116 7.541 0.575 18694 7429 1 16 . 1 1 590 590 GLY N N 590 112.531 112.531 114.320 -1.789 18694 7430 1 16 . 1 1 590 590 GLY C C 590 176.465 176.465 174.361 2.104 18694 7431 1 16 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.451 2.745 18694 7432 1 16 . 1 1 590 590 GLY H H 590 8.669 8.669 7.796 0.873 18694 7433 1 16 . 1 1 591 591 TRP N N 591 119.435 119.435 118.703 0.732 18694 7434 1 16 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.496 0.009 18694 7435 1 16 . 1 1 591 591 TRP C C 591 178.177 178.177 176.236 1.941 18694 7436 1 16 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.615 0.513 18694 7437 1 16 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.129 -1.375 18694 7438 1 16 . 1 1 591 591 TRP H H 591 8.026 8.026 6.816 1.210 18694 7439 1 16 . 1 1 592 592 HIS N N 592 119.340 119.340 116.840 2.500 18694 7440 1 16 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.489 -0.988 18694 7441 1 16 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.525 -0.247 18694 7442 1 16 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.054 -1.570 18694 7443 1 16 . 1 1 592 592 HIS H H 592 7.165 7.165 8.367 -1.202 18694 7444 1 16 . 1 1 593 593 GLU N N 593 116.536 116.536 119.211 -2.675 18694 7445 1 16 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.034 -0.054 18694 7446 1 16 . 1 1 593 593 GLU C C 593 176.675 176.675 176.793 -0.118 18694 7447 1 16 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.227 -0.119 18694 7448 1 16 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.049 0.131 18694 7449 1 16 . 1 1 593 593 GLU H H 593 7.726 7.726 8.274 -0.548 18694 7450 1 16 . 1 1 594 594 HIS N N 594 112.885 112.885 114.175 -1.290 18694 7451 1 16 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.716 0.234 18694 7452 1 16 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.238 -0.974 18694 7453 1 16 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.758 0.424 18694 7454 1 16 . 1 1 594 594 HIS H H 594 7.530 7.530 8.147 -0.617 18694 7455 1 16 . 1 1 595 595 VAL N N 595 120.678 120.678 120.867 -0.189 18694 7456 1 16 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.404 0.096 18694 7457 1 16 . 1 1 595 595 VAL C C 595 174.593 174.593 175.059 -0.466 18694 7458 1 16 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.110 0.933 18694 7459 1 16 . 1 1 595 595 VAL CB C 595 33.362 33.362 35.217 -1.855 18694 7460 1 16 . 1 1 595 595 VAL H H 595 7.492 7.492 7.641 -0.149 18694 7461 1 16 . 1 1 596 596 THR N N 596 115.525 115.525 118.244 -2.719 18694 7462 1 16 . 1 1 596 596 THR HA H 596 4.494 4.494 4.535 -0.041 18694 7463 1 16 . 1 1 596 596 THR C C 596 175.419 175.419 175.628 -0.209 18694 7464 1 16 . 1 1 596 596 THR CA C 596 60.001 60.001 60.572 -0.571 18694 7465 1 16 . 1 1 596 596 THR CB C 596 71.072 71.072 71.028 0.044 18694 7466 1 16 . 1 1 596 596 THR H H 596 7.583 7.583 8.166 -0.583 18694 7467 1 16 . 1 1 597 597 GLN N N 597 120.346 120.346 125.083 -4.737 18694 7468 1 16 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.058 -0.240 18694 7469 1 16 . 1 1 597 597 GLN C C 597 178.079 178.079 177.403 0.676 18694 7470 1 16 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.280 -0.526 18694 7471 1 16 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.566 -0.554 18694 7472 1 16 . 1 1 597 597 GLN H H 597 8.929 8.929 8.899 0.030 18694 7473 1 16 . 1 1 598 598 ASP N N 598 117.842 117.842 120.240 -2.398 18694 7474 1 16 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.370 -0.030 18694 7475 1 16 . 1 1 598 598 ASP C C 598 178.494 178.494 178.668 -0.174 18694 7476 1 16 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.556 -0.663 18694 7477 1 16 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.606 -0.072 18694 7478 1 16 . 1 1 598 598 ASP H H 598 8.382 8.382 7.804 0.578 18694 7479 1 16 . 1 1 599 599 LEU N N 599 123.174 123.174 120.136 3.038 18694 7480 1 16 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.019 0.224 18694 7481 1 16 . 1 1 599 599 LEU C C 599 179.129 179.129 178.225 0.904 18694 7482 1 16 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.011 0.432 18694 7483 1 16 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.731 -0.097 18694 7484 1 16 . 1 1 599 599 LEU H H 599 7.671 7.671 8.034 -0.363 18694 7485 1 16 . 1 1 600 600 ARG N N 600 118.132 118.132 117.432 0.700 18694 7486 1 16 . 1 1 600 600 ARG HA H 600 4.322 4.322 3.866 0.456 18694 7487 1 16 . 1 1 600 600 ARG C C 600 179.103 179.103 178.726 0.377 18694 7488 1 16 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.682 0.714 18694 7489 1 16 . 1 1 600 600 ARG CB C 600 30.520 30.520 29.930 0.590 18694 7490 1 16 . 1 1 600 600 ARG H H 600 7.768 7.768 7.652 0.116 18694 7491 1 16 . 1 1 601 601 SER N N 601 112.865 112.865 114.760 -1.895 18694 7492 1 16 . 1 1 601 601 SER HA H 601 4.134 4.134 3.923 0.211 18694 7493 1 16 . 1 1 601 601 SER C C 601 177.665 177.665 176.229 1.436 18694 7494 1 16 . 1 1 601 601 SER CA C 601 61.534 61.534 61.452 0.082 18694 7495 1 16 . 1 1 601 601 SER CB C 601 62.758 62.758 62.920 -0.162 18694 7496 1 16 . 1 1 601 601 SER H H 601 8.501 8.501 8.349 0.152 18694 7497 1 16 . 1 1 602 602 HIS N N 602 121.543 121.543 124.099 -2.556 18694 7498 1 16 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.364 0.129 18694 7499 1 16 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.955 -1.046 18694 7500 1 16 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.237 -2.148 18694 7501 1 16 . 1 1 602 602 HIS H H 602 8.098 8.098 8.247 -0.149 18694 7502 1 16 . 1 1 603 603 LEU N N 603 122.394 122.394 118.895 3.499 18694 7503 1 16 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.850 0.178 18694 7504 1 16 . 1 1 603 603 LEU C C 603 179.275 179.275 179.184 0.091 18694 7505 1 16 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.851 0.246 18694 7506 1 16 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.623 -1.401 18694 7507 1 16 . 1 1 603 603 LEU H H 603 8.293 8.293 7.924 0.369 18694 7508 1 16 . 1 1 604 604 VAL N N 604 120.325 120.325 119.995 0.330 18694 7509 1 16 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.505 -0.077 18694 7510 1 16 . 1 1 604 604 VAL C C 604 178.026 178.026 178.272 -0.246 18694 7511 1 16 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.331 1.561 18694 7512 1 16 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.768 0.835 18694 7513 1 16 . 1 1 604 604 VAL H H 604 8.409 8.409 7.677 0.732 18694 7514 1 16 . 1 1 605 605 HIS N N 605 116.275 116.275 118.372 -2.097 18694 7515 1 16 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.191 0.061 18694 7516 1 16 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.731 -0.640 18694 7517 1 16 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.481 -1.601 18694 7518 1 16 . 1 1 605 605 HIS H H 605 7.908 7.908 7.808 0.100 18694 7519 1 16 . 1 1 606 606 LYS N N 606 119.506 119.506 120.677 -1.171 18694 7520 1 16 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.917 0.356 18694 7521 1 16 . 1 1 606 606 LYS C C 606 178.947 178.947 178.525 0.422 18694 7522 1 16 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.661 -0.857 18694 7523 1 16 . 1 1 606 606 LYS H H 606 8.092 8.092 8.081 0.011 18694 7524 1 16 . 1 1 607 607 LEU N N 607 121.321 121.321 120.872 0.449 18694 7525 1 16 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.955 0.003 18694 7526 1 16 . 1 1 607 607 LEU C C 607 177.899 177.899 178.490 -0.591 18694 7527 1 16 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.873 0.953 18694 7528 1 16 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.088 0.435 18694 7529 1 16 . 1 1 607 607 LEU H H 607 7.994 7.994 7.950 0.044 18694 7530 1 16 . 1 1 608 608 VAL N N 608 118.191 118.191 119.159 -0.968 18694 7531 1 16 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.505 -0.158 18694 7532 1 16 . 1 1 608 608 VAL C C 608 177.033 177.033 177.955 -0.922 18694 7533 1 16 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.694 1.249 18694 7534 1 16 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.563 0.089 18694 7535 1 16 . 1 1 608 608 VAL H H 608 8.036 8.036 8.066 -0.030 18694 7536 1 16 . 1 1 609 609 GLN N N 609 116.772 116.772 119.583 -2.811 18694 7537 1 16 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.095 -0.207 18694 7538 1 16 . 1 1 609 609 GLN C C 609 176.992 176.992 178.206 -1.214 18694 7539 1 16 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.781 -0.673 18694 7540 1 16 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.721 0.432 18694 7541 1 16 . 1 1 609 609 GLN H H 609 8.108 8.108 8.390 -0.282 18694 7542 1 16 . 1 1 610 610 ALA N N 610 119.316 119.316 120.659 -1.343 18694 7543 1 16 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.137 -0.104 18694 7544 1 16 . 1 1 610 610 ALA C C 610 178.498 178.498 179.144 -0.646 18694 7545 1 16 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.748 -0.970 18694 7546 1 16 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.625 0.766 18694 7547 1 16 . 1 1 610 610 ALA H H 610 7.756 7.756 7.690 0.066 18694 7548 1 16 . 1 1 611 611 ILE N N 611 115.839 115.839 115.557 0.282 18694 7549 1 16 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.004 -0.329 18694 7550 1 16 . 1 1 611 611 ILE C C 611 174.299 174.299 176.281 -1.982 18694 7551 1 16 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.016 0.709 18694 7552 1 16 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.763 0.543 18694 7553 1 16 . 1 1 611 611 ILE H H 611 7.498 7.498 7.204 0.294 18694 7554 1 16 . 1 1 612 612 PHE N N 612 116.531 116.531 120.241 -3.710 18694 7555 1 16 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.049 0.047 18694 7556 1 16 . 1 1 612 612 PHE C C 612 171.610 171.610 173.449 -1.839 18694 7557 1 16 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.248 -2.532 18694 7558 1 16 . 1 1 612 612 PHE CB C 612 39.682 39.682 40.829 -1.147 18694 7559 1 16 . 1 1 612 612 PHE H H 612 8.235 8.235 7.853 0.382 18694 7560 1 16 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.566 0.007 18694 7561 1 16 . 1 1 613 613 PRO C C 613 178.269 178.269 176.536 1.733 18694 7562 1 16 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.722 1.056 18694 7563 1 16 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.445 0.999 18694 7564 1 16 . 1 1 614 614 THR N N 614 109.561 109.561 113.876 -4.315 18694 7565 1 16 . 1 1 614 614 THR HA H 614 4.470 4.470 4.232 0.238 18694 7566 1 16 . 1 1 614 614 THR C C 614 172.048 172.048 172.286 -0.238 18694 7567 1 16 . 1 1 614 614 THR CA C 614 58.106 58.106 59.463 -1.357 18694 7568 1 16 . 1 1 614 614 THR CB C 614 69.549 69.549 67.990 1.559 18694 7569 1 16 . 1 1 614 614 THR H H 614 8.025 8.025 7.491 0.534 18694 7570 1 16 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.497 -0.507 18694 7571 1 16 . 1 1 615 615 PRO C C 615 176.462 176.462 175.640 0.822 18694 7572 1 16 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.325 0.367 18694 7573 1 16 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.058 0.244 18694 7574 1 16 . 1 1 616 616 ASP N N 616 122.743 122.743 124.588 -1.845 18694 7575 1 16 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.870 -0.117 18694 7576 1 16 . 1 1 616 616 ASP C C 616 174.226 174.226 176.057 -1.831 18694 7577 1 16 . 1 1 616 616 ASP CA C 616 51.858 51.858 52.248 -0.390 18694 7578 1 16 . 1 1 616 616 ASP CB C 616 39.930 39.930 41.998 -2.068 18694 7579 1 16 . 1 1 616 616 ASP H H 616 8.145 8.145 7.708 0.437 18694 7580 1 16 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.261 -0.151 18694 7581 1 16 . 1 1 617 617 PRO C C 617 178.885 178.885 177.936 0.949 18694 7582 1 16 . 1 1 617 617 PRO CA C 617 66.015 66.015 65.241 0.774 18694 7583 1 16 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.944 -0.010 18694 7584 1 16 . 1 1 618 618 ALA N N 618 118.548 118.548 121.959 -3.411 18694 7585 1 16 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.172 -0.089 18694 7586 1 16 . 1 1 618 618 ALA C C 618 180.518 180.518 180.120 0.398 18694 7587 1 16 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.565 0.157 18694 7588 1 16 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.144 0.047 18694 7589 1 16 . 1 1 618 618 ALA H H 618 8.093 8.093 8.199 -0.106 18694 7590 1 16 . 1 1 619 619 ALA N N 619 122.623 122.623 122.014 0.609 18694 7591 1 16 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.200 0.125 18694 7592 1 16 . 1 1 619 619 ALA C C 619 179.318 179.318 180.338 -1.020 18694 7593 1 16 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.566 0.119 18694 7594 1 16 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.321 0.334 18694 7595 1 16 . 1 1 619 619 ALA H H 619 8.039 8.039 8.266 -0.227 18694 7596 1 16 . 1 1 620 620 LEU N N 620 114.041 114.041 116.980 -2.939 18694 7597 1 16 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.243 -0.196 18694 7598 1 16 . 1 1 620 620 LEU C C 620 178.288 178.288 177.696 0.592 18694 7599 1 16 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.194 -0.055 18694 7600 1 16 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.587 0.559 18694 7601 1 16 . 1 1 620 620 LEU H H 620 7.606 7.606 8.176 -0.570 18694 7602 1 16 . 1 1 621 621 LYS N N 621 115.255 115.255 115.642 -0.387 18694 7603 1 16 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.388 -0.051 18694 7604 1 16 . 1 1 621 621 LYS C C 621 175.867 175.867 175.529 0.338 18694 7605 1 16 . 1 1 621 621 LYS CA C 621 55.453 55.453 54.700 0.753 18694 7606 1 16 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.331 0.550 18694 7607 1 16 . 1 1 621 621 LYS H H 621 7.272 7.272 7.510 -0.238 18694 7608 1 16 . 1 1 622 622 ASP N N 622 123.382 123.382 120.798 2.584 18694 7609 1 16 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.709 -0.216 18694 7610 1 16 . 1 1 622 622 ASP C C 622 178.117 178.117 176.959 1.158 18694 7611 1 16 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.899 0.985 18694 7612 1 16 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.883 1.104 18694 7613 1 16 . 1 1 622 622 ASP H H 622 7.454 7.454 7.659 -0.205 18694 7614 1 16 . 1 1 623 623 ARG N N 623 130.356 130.356 126.218 4.138 18694 7615 1 16 . 1 1 623 623 ARG HA H 623 4.087 4.087 3.968 0.119 18694 7616 1 16 . 1 1 623 623 ARG C C 623 178.321 178.321 178.161 0.160 18694 7617 1 16 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.363 0.426 18694 7618 1 16 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.975 -0.464 18694 7619 1 16 . 1 1 623 623 ARG H H 623 9.107 9.107 8.852 0.255 18694 7620 1 16 . 1 1 624 624 ARG N N 624 119.125 119.125 118.708 0.417 18694 7621 1 16 . 1 1 624 624 ARG HA H 624 3.834 3.834 3.955 -0.121 18694 7622 1 16 . 1 1 624 624 ARG C C 624 178.521 178.521 178.379 0.142 18694 7623 1 16 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.775 -0.096 18694 7624 1 16 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.367 -1.268 18694 7625 1 16 . 1 1 624 624 ARG H H 624 9.582 9.582 8.953 0.629 18694 7626 1 16 . 1 1 625 625 MET N N 625 120.202 120.202 118.763 1.439 18694 7627 1 16 . 1 1 625 625 MET HA H 625 4.527 4.527 4.082 0.445 18694 7628 1 16 . 1 1 625 625 MET C C 625 178.749 178.749 177.669 1.080 18694 7629 1 16 . 1 1 625 625 MET CA C 625 56.796 56.796 58.779 -1.983 18694 7630 1 16 . 1 1 625 625 MET CB C 625 30.890 30.890 32.420 -1.530 18694 7631 1 16 . 1 1 625 625 MET H H 625 7.953 7.953 7.821 0.132 18694 7632 1 16 . 1 1 626 626 GLU N N 626 117.897 117.897 119.655 -1.758 18694 7633 1 16 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.958 0.102 18694 7634 1 16 . 1 1 626 626 GLU C C 626 179.640 179.640 178.940 0.700 18694 7635 1 16 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.654 -0.674 18694 7636 1 16 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.944 -0.412 18694 7637 1 16 . 1 1 626 626 GLU H H 626 7.431 7.431 7.923 -0.492 18694 7638 1 16 . 1 1 627 627 ASN N N 627 117.950 117.950 117.874 0.076 18694 7639 1 16 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.433 0.056 18694 7640 1 16 . 1 1 627 627 ASN C C 627 177.540 177.540 177.988 -0.448 18694 7641 1 16 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.030 -0.232 18694 7642 1 16 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.633 -1.129 18694 7643 1 16 . 1 1 627 627 ASN H H 627 7.442 7.442 7.670 -0.228 18694 7644 1 16 . 1 1 628 628 LEU N N 628 124.396 124.396 119.757 4.639 18694 7645 1 16 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.202 -0.013 18694 7646 1 16 . 1 1 628 628 LEU C C 628 177.838 177.838 178.504 -0.666 18694 7647 1 16 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.194 1.147 18694 7648 1 16 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.504 0.197 18694 7649 1 16 . 1 1 628 628 LEU H H 628 7.873 7.873 7.384 0.489 18694 7650 1 16 . 1 1 629 629 VAL N N 629 120.503 120.503 120.330 0.173 18694 7651 1 16 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.632 -0.149 18694 7652 1 16 . 1 1 629 629 VAL C C 629 177.552 177.552 177.995 -0.443 18694 7653 1 16 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.953 0.272 18694 7654 1 16 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.104 0.583 18694 7655 1 16 . 1 1 629 629 VAL H H 629 8.246 8.246 8.123 0.123 18694 7656 1 16 . 1 1 630 630 ALA N N 630 120.687 120.687 123.068 -2.381 18694 7657 1 16 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.969 0.063 18694 7658 1 16 . 1 1 630 630 ALA C C 630 180.849 180.849 179.053 1.796 18694 7659 1 16 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.267 0.147 18694 7660 1 16 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.306 -0.214 18694 7661 1 16 . 1 1 630 630 ALA H H 630 8.159 8.159 8.269 -0.110 18694 7662 1 16 . 1 1 631 631 TYR N N 631 121.083 121.083 119.900 1.183 18694 7663 1 16 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.049 0.190 18694 7664 1 16 . 1 1 631 631 TYR C C 631 177.591 177.591 176.977 0.614 18694 7665 1 16 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.688 0.623 18694 7666 1 16 . 1 1 631 631 TYR CB C 631 38.219 38.219 37.948 0.271 18694 7667 1 16 . 1 1 631 631 TYR H H 631 8.102 8.102 8.009 0.093 18694 7668 1 16 . 1 1 632 632 ALA N N 632 122.444 122.444 121.094 1.350 18694 7669 1 16 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.838 -0.156 18694 7670 1 16 . 1 1 632 632 ALA C C 632 179.014 179.014 179.758 -0.744 18694 7671 1 16 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.210 0.132 18694 7672 1 16 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.031 1.793 18694 7673 1 16 . 1 1 632 632 ALA H H 632 8.292 8.292 7.606 0.686 18694 7674 1 16 . 1 1 633 633 LYS N N 633 115.912 115.912 118.668 -2.756 18694 7675 1 16 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.910 0.100 18694 7676 1 16 . 1 1 633 633 LYS C C 633 180.004 180.004 179.288 0.716 18694 7677 1 16 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.731 0.973 18694 7678 1 16 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.627 1.040 18694 7679 1 16 . 1 1 633 633 LYS H H 633 8.548 8.548 7.746 0.802 18694 7680 1 16 . 1 1 634 634 LYS N N 634 123.870 123.870 119.090 4.780 18694 7681 1 16 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.998 0.014 18694 7682 1 16 . 1 1 634 634 LYS C C 634 178.603 178.603 178.973 -0.370 18694 7683 1 16 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.636 0.466 18694 7684 1 16 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.784 0.005 18694 7685 1 16 . 1 1 634 634 LYS H H 634 7.943 7.943 7.884 0.059 18694 7686 1 16 . 1 1 635 635 VAL N N 635 119.215 119.215 119.152 0.063 18694 7687 1 16 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.447 0.229 18694 7688 1 16 . 1 1 635 635 VAL C C 635 178.574 178.574 177.450 1.124 18694 7689 1 16 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.144 -1.044 18694 7690 1 16 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.441 0.170 18694 7691 1 16 . 1 1 635 635 VAL H H 635 8.165 8.165 8.129 0.036 18694 7692 1 16 . 1 1 636 636 GLU N N 636 120.094 120.094 119.666 0.428 18694 7693 1 16 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.063 -0.201 18694 7694 1 16 . 1 1 636 636 GLU C C 636 178.666 178.666 179.198 -0.532 18694 7695 1 16 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.405 2.284 18694 7696 1 16 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.471 0.248 18694 7697 1 16 . 1 1 636 636 GLU H H 636 8.331 8.331 8.548 -0.217 18694 7698 1 16 . 1 1 637 637 GLY N N 637 106.839 106.839 108.178 -1.339 18694 7699 1 16 . 1 1 637 637 GLY C C 637 176.614 176.614 175.976 0.638 18694 7700 1 16 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.872 0.465 18694 7701 1 16 . 1 1 637 637 GLY H H 637 8.145 8.145 8.326 -0.181 18694 7702 1 16 . 1 1 638 638 ASP N N 638 122.731 122.731 122.961 -0.230 18694 7703 1 16 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.384 0.159 18694 7704 1 16 . 1 1 638 638 ASP C C 638 180.109 180.109 178.421 1.688 18694 7705 1 16 . 1 1 638 638 ASP CA C 638 56.894 56.894 57.005 -0.111 18694 7706 1 16 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.114 -1.026 18694 7707 1 16 . 1 1 638 638 ASP H H 638 8.338 8.338 8.093 0.245 18694 7708 1 16 . 1 1 639 639 MET N N 639 121.055 121.055 118.125 2.930 18694 7709 1 16 . 1 1 639 639 MET HA H 639 4.389 4.389 4.166 0.223 18694 7710 1 16 . 1 1 639 639 MET C C 639 177.737 177.737 178.192 -0.455 18694 7711 1 16 . 1 1 639 639 MET CA C 639 58.675 58.675 56.349 2.326 18694 7712 1 16 . 1 1 639 639 MET CB C 639 32.530 32.530 31.311 1.219 18694 7713 1 16 . 1 1 639 639 MET H H 639 8.193 8.193 8.522 -0.329 18694 7714 1 16 . 1 1 640 640 TYR N N 640 121.235 121.235 120.470 0.765 18694 7715 1 16 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.652 0.646 18694 7716 1 16 . 1 1 640 640 TYR C C 640 178.311 178.311 177.327 0.984 18694 7717 1 16 . 1 1 640 640 TYR CA C 640 61.907 61.907 60.972 0.935 18694 7718 1 16 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.438 1.512 18694 7719 1 16 . 1 1 640 640 TYR H H 640 9.328 9.328 8.473 0.855 18694 7720 1 16 . 1 1 641 641 GLU N N 641 115.098 115.098 117.733 -2.635 18694 7721 1 16 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.858 0.508 18694 7722 1 16 . 1 1 641 641 GLU C C 641 178.006 178.006 178.930 -0.924 18694 7723 1 16 . 1 1 641 641 GLU CA C 641 57.446 57.446 59.132 -1.686 18694 7724 1 16 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.070 0.632 18694 7725 1 16 . 1 1 641 641 GLU H H 641 8.079 8.079 7.707 0.372 18694 7726 1 16 . 1 1 642 642 SER N N 642 112.869 112.869 116.490 -3.621 18694 7727 1 16 . 1 1 642 642 SER HA H 642 4.394 4.394 4.248 0.146 18694 7728 1 16 . 1 1 642 642 SER C C 642 175.251 175.251 176.789 -1.538 18694 7729 1 16 . 1 1 642 642 SER CA C 642 60.175 60.175 60.762 -0.587 18694 7730 1 16 . 1 1 642 642 SER CB C 642 64.388 64.388 63.346 1.042 18694 7731 1 16 . 1 1 642 642 SER H H 642 7.968 7.968 7.726 0.242 18694 7732 1 16 . 1 1 643 643 ALA N N 643 123.763 123.763 122.983 0.780 18694 7733 1 16 . 1 1 643 643 ALA HA H 643 4.227 4.227 3.986 0.241 18694 7734 1 16 . 1 1 643 643 ALA C C 643 177.897 177.897 176.606 1.291 18694 7735 1 16 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.698 -0.099 18694 7736 1 16 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.620 3.072 18694 7737 1 16 . 1 1 643 643 ALA H H 643 8.096 8.096 8.286 -0.190 18694 7738 1 16 . 1 1 644 644 ASN N N 644 117.176 117.176 115.586 1.590 18694 7739 1 16 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.484 0.626 18694 7740 1 16 . 1 1 644 644 ASN C C 644 173.978 173.978 174.958 -0.980 18694 7741 1 16 . 1 1 644 644 ASN CA C 644 53.354 53.354 54.480 -1.126 18694 7742 1 16 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.264 0.955 18694 7743 1 16 . 1 1 644 644 ASN H H 644 9.102 9.102 8.196 0.906 18694 7744 1 16 . 1 1 645 645 SER N N 645 111.225 111.225 113.903 -2.678 18694 7745 1 16 . 1 1 645 645 SER HA H 645 3.632 3.632 4.920 -1.288 18694 7746 1 16 . 1 1 645 645 SER C C 645 171.965 171.965 174.560 -2.595 18694 7747 1 16 . 1 1 645 645 SER CA C 645 56.522 56.522 57.260 -0.738 18694 7748 1 16 . 1 1 645 645 SER CB C 645 64.968 64.968 66.200 -1.232 18694 7749 1 16 . 1 1 645 645 SER H H 645 6.865 6.865 7.457 -0.592 18694 7750 1 16 . 1 1 646 646 ARG N N 646 121.944 121.944 125.349 -3.405 18694 7751 1 16 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.220 -1.034 18694 7752 1 16 . 1 1 646 646 ARG C C 646 177.709 177.709 178.163 -0.454 18694 7753 1 16 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.944 -0.913 18694 7754 1 16 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.806 0.447 18694 7755 1 16 . 1 1 646 646 ARG H H 646 8.685 8.685 8.989 -0.304 18694 7756 1 16 . 1 1 647 647 ASP N N 647 116.817 116.817 118.110 -1.293 18694 7757 1 16 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.568 -0.273 18694 7758 1 16 . 1 1 647 647 ASP C C 647 178.860 178.860 178.454 0.406 18694 7759 1 16 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.704 -0.579 18694 7760 1 16 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.407 -0.118 18694 7761 1 16 . 1 1 647 647 ASP H H 647 8.119 8.119 8.571 -0.452 18694 7762 1 16 . 1 1 648 648 GLU N N 648 121.231 121.231 120.557 0.674 18694 7763 1 16 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.192 -0.202 18694 7764 1 16 . 1 1 648 648 GLU C C 648 177.064 177.064 178.416 -1.352 18694 7765 1 16 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.307 -0.045 18694 7766 1 16 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.280 0.858 18694 7767 1 16 . 1 1 648 648 GLU H H 648 7.799 7.799 8.341 -0.541 18694 7768 1 16 . 1 1 649 649 TYR N N 649 122.045 122.045 120.917 1.128 18694 7769 1 16 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.156 -0.157 18694 7770 1 16 . 1 1 649 649 TYR C C 649 176.140 176.140 177.976 -1.836 18694 7771 1 16 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.005 0.663 18694 7772 1 16 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.148 0.809 18694 7773 1 16 . 1 1 649 649 TYR H H 649 7.338 7.338 8.100 -0.762 18694 7774 1 16 . 1 1 650 650 TYR N N 650 115.581 115.581 116.798 -1.217 18694 7775 1 16 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.107 -0.108 18694 7776 1 16 . 1 1 650 650 TYR C C 650 179.058 179.058 178.299 0.759 18694 7777 1 16 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.658 -2.165 18694 7778 1 16 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.102 -0.460 18694 7779 1 16 . 1 1 650 650 TYR H H 650 8.072 8.072 7.963 0.109 18694 7780 1 16 . 1 1 651 651 HIS N N 651 118.435 118.435 119.784 -1.349 18694 7781 1 16 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.300 0.013 18694 7782 1 16 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.171 -0.868 18694 7783 1 16 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.338 -2.082 18694 7784 1 16 . 1 1 651 651 HIS H H 651 8.311 8.311 7.968 0.343 18694 7785 1 16 . 1 1 652 652 LEU N N 652 121.135 121.135 119.631 1.504 18694 7786 1 16 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.701 0.291 18694 7787 1 16 . 1 1 652 652 LEU C C 652 180.822 180.822 179.220 1.602 18694 7788 1 16 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.004 -0.111 18694 7789 1 16 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.924 0.113 18694 7790 1 16 . 1 1 652 652 LEU H H 652 9.141 9.141 8.187 0.954 18694 7791 1 16 . 1 1 653 653 LEU N N 653 120.947 120.947 118.876 2.071 18694 7792 1 16 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.865 -0.032 18694 7793 1 16 . 1 1 653 653 LEU C C 653 178.085 178.085 178.853 -0.768 18694 7794 1 16 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.099 0.239 18694 7795 1 16 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.352 0.534 18694 7796 1 16 . 1 1 653 653 LEU H H 653 7.769 7.769 7.560 0.209 18694 7797 1 16 . 1 1 654 654 ALA N N 654 120.863 120.863 121.371 -0.508 18694 7798 1 16 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.910 -0.026 18694 7799 1 16 . 1 1 654 654 ALA C C 654 180.274 180.274 179.498 0.776 18694 7800 1 16 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.347 0.008 18694 7801 1 16 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.857 0.333 18694 7802 1 16 . 1 1 654 654 ALA H H 654 8.111 8.111 8.231 -0.120 18694 7803 1 16 . 1 1 655 655 GLU N N 655 118.047 118.047 118.730 -0.683 18694 7804 1 16 . 1 1 655 655 GLU HA H 655 4.018 4.018 4.046 -0.028 18694 7805 1 16 . 1 1 655 655 GLU C C 655 178.311 178.311 179.007 -0.696 18694 7806 1 16 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.687 -0.608 18694 7807 1 16 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.549 -0.135 18694 7808 1 16 . 1 1 655 655 GLU H H 655 8.363 8.363 7.942 0.421 18694 7809 1 16 . 1 1 656 656 LYS N N 656 120.122 120.122 118.733 1.389 18694 7810 1 16 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.094 -0.044 18694 7811 1 16 . 1 1 656 656 LYS C C 656 178.388 178.388 179.370 -0.982 18694 7812 1 16 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.640 -0.511 18694 7813 1 16 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.037 -0.627 18694 7814 1 16 . 1 1 656 656 LYS H H 656 7.852 7.852 7.637 0.215 18694 7815 1 16 . 1 1 657 657 ILE N N 657 118.294 118.294 120.383 -2.089 18694 7816 1 16 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.705 -0.314 18694 7817 1 16 . 1 1 657 657 ILE C C 657 177.061 177.061 178.060 -0.999 18694 7818 1 16 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.623 0.903 18694 7819 1 16 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.990 -0.090 18694 7820 1 16 . 1 1 657 657 ILE H H 657 8.199 8.199 8.414 -0.215 18694 7821 1 16 . 1 1 658 658 TYR N N 658 119.430 119.430 120.477 -1.047 18694 7822 1 16 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.083 0.220 18694 7823 1 16 . 1 1 658 658 TYR C C 658 177.869 177.869 177.472 0.397 18694 7824 1 16 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.810 0.059 18694 7825 1 16 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.161 0.044 18694 7826 1 16 . 1 1 658 658 TYR H H 658 8.066 8.066 8.175 -0.109 18694 7827 1 16 . 1 1 659 659 LYS N N 659 118.321 118.321 119.087 -0.766 18694 7828 1 16 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.852 -0.038 18694 7829 1 16 . 1 1 659 659 LYS C C 659 180.019 180.019 179.233 0.786 18694 7830 1 16 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.678 1.181 18694 7831 1 16 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.750 0.941 18694 7832 1 16 . 1 1 659 659 LYS H H 659 8.309 8.309 8.148 0.161 18694 7833 1 16 . 1 1 660 660 ILE N N 660 121.103 121.103 120.439 0.664 18694 7834 1 16 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.658 -0.072 18694 7835 1 16 . 1 1 660 660 ILE C C 660 177.404 177.404 177.980 -0.576 18694 7836 1 16 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.063 1.013 18694 7837 1 16 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.923 0.460 18694 7838 1 16 . 1 1 660 660 ILE H H 660 8.546 8.546 8.117 0.429 18694 7839 1 16 . 1 1 661 661 GLN N N 661 118.093 118.093 118.763 -0.670 18694 7840 1 16 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.932 -0.001 18694 7841 1 16 . 1 1 661 661 GLN C C 661 179.682 179.682 178.159 1.523 18694 7842 1 16 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.100 0.768 18694 7843 1 16 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.546 -0.485 18694 7844 1 16 . 1 1 661 661 GLN H H 661 8.554 8.554 7.879 0.675 18694 7845 1 16 . 1 1 662 662 LYS N N 662 119.532 119.532 120.622 -1.090 18694 7846 1 16 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.872 0.089 18694 7847 1 16 . 1 1 662 662 LYS C C 662 178.745 178.745 178.831 -0.086 18694 7848 1 16 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.343 -0.822 18694 7849 1 16 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.103 -0.481 18694 7850 1 16 . 1 1 662 662 LYS H H 662 8.110 8.110 8.164 -0.054 18694 7851 1 16 . 1 1 663 663 GLU N N 663 121.313 121.313 119.504 1.809 18694 7852 1 16 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.016 0.005 18694 7853 1 16 . 1 1 663 663 GLU C C 663 179.429 179.429 179.113 0.316 18694 7854 1 16 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.056 0.437 18694 7855 1 16 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.186 -0.022 18694 7856 1 16 . 1 1 663 663 GLU H H 663 8.011 8.011 7.860 0.151 18694 7857 1 16 . 1 1 664 664 LEU N N 664 119.460 119.460 119.795 -0.335 18694 7858 1 16 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.912 0.006 18694 7859 1 16 . 1 1 664 664 LEU C C 664 178.785 178.785 179.228 -0.443 18694 7860 1 16 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.144 0.030 18694 7861 1 16 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.506 0.399 18694 7862 1 16 . 1 1 664 664 LEU H H 664 8.342 8.342 8.151 0.191 18694 7863 1 16 . 1 1 665 665 GLU N N 665 118.822 118.822 118.007 0.815 18694 7864 1 16 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.901 0.072 18694 7865 1 16 . 1 1 665 665 GLU C C 665 179.161 179.161 178.830 0.331 18694 7866 1 16 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.433 -0.618 18694 7867 1 16 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.299 -0.166 18694 7868 1 16 . 1 1 665 665 GLU H H 665 8.018 8.018 7.932 0.086 18694 7869 1 16 . 1 1 666 666 GLU N N 666 118.722 118.722 120.003 -1.281 18694 7870 1 16 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.004 -0.032 18694 7871 1 16 . 1 1 666 666 GLU C C 666 179.536 179.536 178.861 0.675 18694 7872 1 16 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.124 -0.214 18694 7873 1 16 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.540 -0.659 18694 7874 1 16 . 1 1 666 666 GLU H H 666 8.014 8.014 7.951 0.063 18694 7875 1 16 . 1 1 667 667 LYS N N 667 119.177 119.177 117.860 1.317 18694 7876 1 16 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.040 0.101 18694 7877 1 16 . 1 1 667 667 LYS C C 667 179.425 179.425 179.095 0.330 18694 7878 1 16 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.276 -0.894 18694 7879 1 16 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.057 -0.052 18694 7880 1 16 . 1 1 667 667 LYS H H 667 8.056 8.056 8.172 -0.116 18694 7881 1 16 . 1 1 668 668 ARG N N 668 119.491 119.491 118.467 1.024 18694 7882 1 16 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.268 -0.309 18694 7883 1 16 . 1 1 668 668 ARG C C 668 178.260 178.260 178.372 -0.112 18694 7884 1 16 . 1 1 668 668 ARG CA C 668 58.964 58.964 57.244 1.720 18694 7885 1 16 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.814 0.397 18694 7886 1 16 . 1 1 668 668 ARG H H 668 8.218 8.218 7.667 0.551 18694 7887 1 16 . 1 1 669 669 ARG N N 669 117.972 117.972 118.906 -0.934 18694 7888 1 16 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.073 0.097 18694 7889 1 16 . 1 1 669 669 ARG C C 669 177.325 177.325 177.577 -0.252 18694 7890 1 16 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.813 -1.262 18694 7891 1 16 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.121 -0.012 18694 7892 1 16 . 1 1 669 669 ARG H H 669 7.793 7.793 7.746 0.047 18694 7893 1 16 . 1 1 670 670 SER N N 670 114.336 114.336 112.981 1.355 18694 7894 1 16 . 1 1 670 670 SER HA H 670 4.410 4.410 4.430 -0.020 18694 7895 1 16 . 1 1 670 670 SER C C 670 174.266 174.266 174.703 -0.437 18694 7896 1 16 . 1 1 670 670 SER CA C 670 58.946 58.946 59.117 -0.171 18694 7897 1 16 . 1 1 670 670 SER CB C 670 63.814 63.814 65.022 -1.208 18694 7898 1 16 . 1 1 670 670 SER H H 670 7.794 7.794 7.665 0.129 18694 7899 1 16 . 1 1 671 671 ARG N N 671 122.062 122.062 120.346 1.716 18694 7900 1 16 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.375 -0.028 18694 7901 1 16 . 1 1 671 671 ARG C C 671 175.272 175.272 174.068 1.204 18694 7902 1 16 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.819 -0.698 18694 7903 1 16 . 1 1 671 671 ARG CB C 671 30.507 30.507 29.199 1.308 18694 7904 1 16 . 1 1 671 671 ARG H H 671 7.740 7.740 7.767 -0.027 18694 7905 1 17 . 1 1 587 587 VAL N N 587 119.752 119.752 120.450 -0.698 18694 7906 1 17 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.472 -0.374 18694 7907 1 17 . 1 1 587 587 VAL C C 587 176.340 176.340 175.952 0.388 18694 7908 1 17 . 1 1 587 587 VAL CA C 587 62.229 62.229 61.421 0.808 18694 7909 1 17 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.290 -0.508 18694 7910 1 17 . 1 1 587 587 VAL H H 587 8.027 8.027 8.080 -0.053 18694 7911 1 17 . 1 1 588 588 ARG N N 588 125.669 125.669 121.379 4.290 18694 7912 1 17 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.354 -0.032 18694 7913 1 17 . 1 1 588 588 ARG C C 588 176.109 176.109 176.044 0.065 18694 7914 1 17 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.166 0.001 18694 7915 1 17 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.390 0.261 18694 7916 1 17 . 1 1 588 588 ARG H H 588 8.528 8.528 8.358 0.170 18694 7917 1 17 . 1 1 589 589 LYS N N 589 121.018 121.018 121.480 -0.462 18694 7918 1 17 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.272 -0.086 18694 7919 1 17 . 1 1 589 589 LYS C C 589 177.598 177.598 175.190 2.408 18694 7920 1 17 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.688 -0.765 18694 7921 1 17 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.681 -0.092 18694 7922 1 17 . 1 1 589 589 LYS H H 589 8.116 8.116 7.596 0.520 18694 7923 1 17 . 1 1 590 590 GLY N N 590 112.531 112.531 114.439 -1.908 18694 7924 1 17 . 1 1 590 590 GLY C C 590 176.465 176.465 174.496 1.969 18694 7925 1 17 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.962 2.234 18694 7926 1 17 . 1 1 590 590 GLY H H 590 8.669 8.669 8.206 0.463 18694 7927 1 17 . 1 1 591 591 TRP N N 591 119.435 119.435 125.203 -5.768 18694 7928 1 17 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.185 0.320 18694 7929 1 17 . 1 1 591 591 TRP C C 591 178.177 178.177 177.543 0.634 18694 7930 1 17 . 1 1 591 591 TRP CA C 591 58.128 58.128 59.235 -1.107 18694 7931 1 17 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.288 -0.534 18694 7932 1 17 . 1 1 591 591 TRP H H 591 8.026 8.026 7.694 0.332 18694 7933 1 17 . 1 1 592 592 HIS N N 592 119.340 119.340 116.539 2.801 18694 7934 1 17 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.300 -0.799 18694 7935 1 17 . 1 1 592 592 HIS CA C 592 56.278 56.278 58.821 -2.543 18694 7936 1 17 . 1 1 592 592 HIS CB C 592 28.484 28.484 29.362 -0.878 18694 7937 1 17 . 1 1 592 592 HIS H H 592 7.165 7.165 8.251 -1.086 18694 7938 1 17 . 1 1 593 593 GLU N N 593 116.536 116.536 119.723 -3.187 18694 7939 1 17 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.322 -0.342 18694 7940 1 17 . 1 1 593 593 GLU C C 593 176.675 176.675 177.099 -0.424 18694 7941 1 17 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.170 -0.062 18694 7942 1 17 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.845 -0.664 18694 7943 1 17 . 1 1 593 593 GLU H H 593 7.726 7.726 7.969 -0.243 18694 7944 1 17 . 1 1 594 594 HIS N N 594 112.885 112.885 115.458 -2.573 18694 7945 1 17 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.955 -0.005 18694 7946 1 17 . 1 1 594 594 HIS CA C 594 54.264 54.264 54.491 -0.227 18694 7947 1 17 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.105 0.077 18694 7948 1 17 . 1 1 594 594 HIS H H 594 7.530 7.530 7.592 -0.062 18694 7949 1 17 . 1 1 595 595 VAL N N 595 120.678 120.678 120.990 -0.312 18694 7950 1 17 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.365 0.135 18694 7951 1 17 . 1 1 595 595 VAL C C 595 174.593 174.593 175.921 -1.328 18694 7952 1 17 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.441 0.602 18694 7953 1 17 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.232 -0.870 18694 7954 1 17 . 1 1 595 595 VAL H H 595 7.492 7.492 7.380 0.112 18694 7955 1 17 . 1 1 596 596 THR N N 596 115.525 115.525 119.697 -4.172 18694 7956 1 17 . 1 1 596 596 THR HA H 596 4.494 4.494 4.615 -0.121 18694 7957 1 17 . 1 1 596 596 THR C C 596 175.419 175.419 175.453 -0.034 18694 7958 1 17 . 1 1 596 596 THR CA C 596 60.001 60.001 60.522 -0.521 18694 7959 1 17 . 1 1 596 596 THR CB C 596 71.072 71.072 71.257 -0.185 18694 7960 1 17 . 1 1 596 596 THR H H 596 7.583 7.583 8.310 -0.727 18694 7961 1 17 . 1 1 597 597 GLN N N 597 120.346 120.346 123.237 -2.891 18694 7962 1 17 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.058 -0.240 18694 7963 1 17 . 1 1 597 597 GLN C C 597 178.079 178.079 177.690 0.389 18694 7964 1 17 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.123 -0.369 18694 7965 1 17 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.621 -0.609 18694 7966 1 17 . 1 1 597 597 GLN H H 597 8.929 8.929 8.891 0.038 18694 7967 1 17 . 1 1 598 598 ASP N N 598 117.842 117.842 120.240 -2.398 18694 7968 1 17 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.431 -0.091 18694 7969 1 17 . 1 1 598 598 ASP C C 598 178.494 178.494 178.699 -0.205 18694 7970 1 17 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.474 -0.581 18694 7971 1 17 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.624 -0.090 18694 7972 1 17 . 1 1 598 598 ASP H H 598 8.382 8.382 7.817 0.565 18694 7973 1 17 . 1 1 599 599 LEU N N 599 123.174 123.174 120.249 2.925 18694 7974 1 17 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.075 0.168 18694 7975 1 17 . 1 1 599 599 LEU C C 599 179.129 179.129 178.611 0.518 18694 7976 1 17 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.901 0.541 18694 7977 1 17 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.850 -0.216 18694 7978 1 17 . 1 1 599 599 LEU H H 599 7.671 7.671 8.013 -0.342 18694 7979 1 17 . 1 1 600 600 ARG N N 600 118.132 118.132 118.180 -0.048 18694 7980 1 17 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.133 0.189 18694 7981 1 17 . 1 1 600 600 ARG C C 600 179.103 179.103 179.086 0.017 18694 7982 1 17 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.569 0.827 18694 7983 1 17 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.371 0.149 18694 7984 1 17 . 1 1 600 600 ARG H H 600 7.768 7.768 7.643 0.125 18694 7985 1 17 . 1 1 601 601 SER N N 601 112.865 112.865 114.881 -2.016 18694 7986 1 17 . 1 1 601 601 SER HA H 601 4.134 4.134 4.189 -0.055 18694 7987 1 17 . 1 1 601 601 SER C C 601 177.665 177.665 176.547 1.118 18694 7988 1 17 . 1 1 601 601 SER CA C 601 61.534 61.534 61.876 -0.342 18694 7989 1 17 . 1 1 601 601 SER CB C 601 62.758 62.758 63.083 -0.325 18694 7990 1 17 . 1 1 601 601 SER H H 601 8.501 8.501 8.470 0.031 18694 7991 1 17 . 1 1 602 602 HIS N N 602 121.543 121.543 123.532 -1.989 18694 7992 1 17 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.342 0.151 18694 7993 1 17 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.801 -0.892 18694 7994 1 17 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.249 -2.160 18694 7995 1 17 . 1 1 602 602 HIS H H 602 8.098 8.098 8.426 -0.328 18694 7996 1 17 . 1 1 603 603 LEU N N 603 122.394 122.394 118.859 3.535 18694 7997 1 17 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.925 0.103 18694 7998 1 17 . 1 1 603 603 LEU C C 603 179.275 179.275 179.048 0.227 18694 7999 1 17 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.742 0.355 18694 8000 1 17 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.786 -1.564 18694 8001 1 17 . 1 1 603 603 LEU H H 603 8.293 8.293 7.730 0.563 18694 8002 1 17 . 1 1 604 604 VAL N N 604 120.325 120.325 119.887 0.438 18694 8003 1 17 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.548 -0.120 18694 8004 1 17 . 1 1 604 604 VAL C C 604 178.026 178.026 178.280 -0.254 18694 8005 1 17 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.299 1.593 18694 8006 1 17 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.637 0.966 18694 8007 1 17 . 1 1 604 604 VAL H H 604 8.409 8.409 7.631 0.778 18694 8008 1 17 . 1 1 605 605 HIS N N 605 116.275 116.275 118.683 -2.408 18694 8009 1 17 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.229 0.023 18694 8010 1 17 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.193 -1.102 18694 8011 1 17 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.504 -1.624 18694 8012 1 17 . 1 1 605 605 HIS H H 605 7.908 7.908 8.025 -0.117 18694 8013 1 17 . 1 1 606 606 LYS N N 606 119.506 119.506 119.656 -0.150 18694 8014 1 17 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.997 0.276 18694 8015 1 17 . 1 1 606 606 LYS C C 606 178.947 178.947 179.043 -0.096 18694 8016 1 17 . 1 1 606 606 LYS CA C 606 58.804 58.804 58.572 0.232 18694 8017 1 17 . 1 1 606 606 LYS H H 606 8.092 8.092 7.561 0.531 18694 8018 1 17 . 1 1 607 607 LEU N N 607 121.321 121.321 121.323 -0.002 18694 8019 1 17 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.992 -0.034 18694 8020 1 17 . 1 1 607 607 LEU C C 607 177.899 177.899 178.488 -0.589 18694 8021 1 17 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.980 0.846 18694 8022 1 17 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.060 0.463 18694 8023 1 17 . 1 1 607 607 LEU H H 607 7.994 7.994 7.776 0.218 18694 8024 1 17 . 1 1 608 608 VAL N N 608 118.191 118.191 118.764 -0.573 18694 8025 1 17 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.589 -0.242 18694 8026 1 17 . 1 1 608 608 VAL C C 608 177.033 177.033 178.321 -1.288 18694 8027 1 17 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.324 1.619 18694 8028 1 17 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.950 0.703 18694 8029 1 17 . 1 1 608 608 VAL H H 608 8.036 8.036 8.060 -0.024 18694 8030 1 17 . 1 1 609 609 GLN N N 609 116.772 116.772 120.165 -3.393 18694 8031 1 17 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.034 -0.146 18694 8032 1 17 . 1 1 609 609 GLN C C 609 176.992 176.992 177.774 -0.782 18694 8033 1 17 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.478 -0.370 18694 8034 1 17 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.415 0.738 18694 8035 1 17 . 1 1 609 609 GLN H H 609 8.108 8.108 8.579 -0.471 18694 8036 1 17 . 1 1 610 610 ALA N N 610 119.316 119.316 120.020 -0.704 18694 8037 1 17 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.190 -0.157 18694 8038 1 17 . 1 1 610 610 ALA C C 610 178.498 178.498 178.907 -0.409 18694 8039 1 17 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.500 -0.722 18694 8040 1 17 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.553 0.839 18694 8041 1 17 . 1 1 610 610 ALA H H 610 7.756 7.756 7.727 0.029 18694 8042 1 17 . 1 1 611 611 ILE N N 611 115.839 115.839 116.073 -0.234 18694 8043 1 17 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.040 -0.365 18694 8044 1 17 . 1 1 611 611 ILE C C 611 174.299 174.299 176.670 -2.371 18694 8045 1 17 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.495 0.230 18694 8046 1 17 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.984 0.322 18694 8047 1 17 . 1 1 611 611 ILE H H 611 7.498 7.498 7.382 0.116 18694 8048 1 17 . 1 1 612 612 PHE N N 612 116.531 116.531 119.840 -3.309 18694 8049 1 17 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.993 0.103 18694 8050 1 17 . 1 1 612 612 PHE C C 612 171.610 171.610 173.301 -1.691 18694 8051 1 17 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.713 -2.997 18694 8052 1 17 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.332 -1.650 18694 8053 1 17 . 1 1 612 612 PHE H H 612 8.235 8.235 7.921 0.314 18694 8054 1 17 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.961 -0.388 18694 8055 1 17 . 1 1 613 613 PRO C C 613 178.269 178.269 176.599 1.670 18694 8056 1 17 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.513 1.265 18694 8057 1 17 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.768 0.676 18694 8058 1 17 . 1 1 614 614 THR N N 614 109.561 109.561 113.658 -4.097 18694 8059 1 17 . 1 1 614 614 THR HA H 614 4.470 4.470 4.289 0.181 18694 8060 1 17 . 1 1 614 614 THR C C 614 172.048 172.048 172.340 -0.292 18694 8061 1 17 . 1 1 614 614 THR CA C 614 58.106 58.106 59.075 -0.969 18694 8062 1 17 . 1 1 614 614 THR CB C 614 69.549 69.549 68.010 1.539 18694 8063 1 17 . 1 1 614 614 THR H H 614 8.025 8.025 7.377 0.648 18694 8064 1 17 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.463 -0.473 18694 8065 1 17 . 1 1 615 615 PRO C C 615 176.462 176.462 175.952 0.510 18694 8066 1 17 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.235 0.457 18694 8067 1 17 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.864 0.438 18694 8068 1 17 . 1 1 616 616 ASP N N 616 122.743 122.743 123.414 -0.671 18694 8069 1 17 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.684 0.069 18694 8070 1 17 . 1 1 616 616 ASP C C 616 174.226 174.226 176.846 -2.620 18694 8071 1 17 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.872 -0.014 18694 8072 1 17 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.166 -3.236 18694 8073 1 17 . 1 1 616 616 ASP H H 616 8.145 8.145 7.726 0.419 18694 8074 1 17 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.274 -0.164 18694 8075 1 17 . 1 1 617 617 PRO C C 617 178.885 178.885 177.102 1.783 18694 8076 1 17 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.852 1.163 18694 8077 1 17 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.943 -0.009 18694 8078 1 17 . 1 1 618 618 ALA N N 618 118.548 118.548 119.879 -1.331 18694 8079 1 17 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.309 -0.226 18694 8080 1 17 . 1 1 618 618 ALA C C 618 180.518 180.518 179.836 0.682 18694 8081 1 17 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.900 0.822 18694 8082 1 17 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.727 -0.536 18694 8083 1 17 . 1 1 618 618 ALA H H 618 8.093 8.093 8.575 -0.482 18694 8084 1 17 . 1 1 619 619 ALA N N 619 122.623 122.623 122.703 -0.080 18694 8085 1 17 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.130 0.195 18694 8086 1 17 . 1 1 619 619 ALA C C 619 179.318 179.318 179.965 -0.647 18694 8087 1 17 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.727 -0.042 18694 8088 1 17 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.497 0.158 18694 8089 1 17 . 1 1 619 619 ALA H H 619 8.039 8.039 7.931 0.107 18694 8090 1 17 . 1 1 620 620 LEU N N 620 114.041 114.041 116.693 -2.652 18694 8091 1 17 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.280 -0.233 18694 8092 1 17 . 1 1 620 620 LEU C C 620 178.288 178.288 177.710 0.578 18694 8093 1 17 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.951 0.188 18694 8094 1 17 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.584 0.563 18694 8095 1 17 . 1 1 620 620 LEU H H 620 7.606 7.606 8.376 -0.770 18694 8096 1 17 . 1 1 621 621 LYS N N 621 115.255 115.255 116.631 -1.376 18694 8097 1 17 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.364 -0.027 18694 8098 1 17 . 1 1 621 621 LYS C C 621 175.867 175.867 175.663 0.204 18694 8099 1 17 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.589 -0.136 18694 8100 1 17 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.705 0.176 18694 8101 1 17 . 1 1 621 621 LYS H H 621 7.272 7.272 7.454 -0.182 18694 8102 1 17 . 1 1 622 622 ASP N N 622 123.382 123.382 120.057 3.325 18694 8103 1 17 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.698 -0.205 18694 8104 1 17 . 1 1 622 622 ASP C C 622 178.117 178.117 176.997 1.120 18694 8105 1 17 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.860 1.024 18694 8106 1 17 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.790 1.197 18694 8107 1 17 . 1 1 622 622 ASP H H 622 7.454 7.454 7.608 -0.154 18694 8108 1 17 . 1 1 623 623 ARG N N 623 130.356 130.356 125.431 4.925 18694 8109 1 17 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.264 -0.177 18694 8110 1 17 . 1 1 623 623 ARG C C 623 178.321 178.321 178.494 -0.173 18694 8111 1 17 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.576 0.213 18694 8112 1 17 . 1 1 623 623 ARG CB C 623 29.511 29.511 30.001 -0.490 18694 8113 1 17 . 1 1 623 623 ARG H H 623 9.107 9.107 8.738 0.369 18694 8114 1 17 . 1 1 624 624 ARG N N 624 119.125 119.125 119.262 -0.137 18694 8115 1 17 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.049 -0.215 18694 8116 1 17 . 1 1 624 624 ARG C C 624 178.521 178.521 178.443 0.078 18694 8117 1 17 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.891 -0.211 18694 8118 1 17 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.904 -1.805 18694 8119 1 17 . 1 1 624 624 ARG H H 624 9.582 9.582 8.322 1.260 18694 8120 1 17 . 1 1 625 625 MET N N 625 120.202 120.202 119.087 1.115 18694 8121 1 17 . 1 1 625 625 MET HA H 625 4.527 4.527 4.065 0.462 18694 8122 1 17 . 1 1 625 625 MET C C 625 178.749 178.749 177.543 1.206 18694 8123 1 17 . 1 1 625 625 MET CA C 625 56.796 56.796 59.366 -2.570 18694 8124 1 17 . 1 1 625 625 MET CB C 625 30.890 30.890 32.376 -1.486 18694 8125 1 17 . 1 1 625 625 MET H H 625 7.953 7.953 7.791 0.162 18694 8126 1 17 . 1 1 626 626 GLU N N 626 117.897 117.897 118.274 -0.377 18694 8127 1 17 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.947 0.113 18694 8128 1 17 . 1 1 626 626 GLU C C 626 179.640 179.640 178.760 0.880 18694 8129 1 17 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.835 -0.855 18694 8130 1 17 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.862 -0.330 18694 8131 1 17 . 1 1 626 626 GLU H H 626 7.431 7.431 7.946 -0.515 18694 8132 1 17 . 1 1 627 627 ASN N N 627 117.950 117.950 118.119 -0.169 18694 8133 1 17 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.463 0.026 18694 8134 1 17 . 1 1 627 627 ASN C C 627 177.540 177.540 177.995 -0.455 18694 8135 1 17 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.852 -0.054 18694 8136 1 17 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.261 -0.757 18694 8137 1 17 . 1 1 627 627 ASN H H 627 7.442 7.442 7.524 -0.082 18694 8138 1 17 . 1 1 628 628 LEU N N 628 124.396 124.396 119.706 4.690 18694 8139 1 17 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.227 -0.038 18694 8140 1 17 . 1 1 628 628 LEU C C 628 177.838 177.838 178.258 -0.420 18694 8141 1 17 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.351 0.991 18694 8142 1 17 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.397 0.304 18694 8143 1 17 . 1 1 628 628 LEU H H 628 7.873 7.873 7.578 0.295 18694 8144 1 17 . 1 1 629 629 VAL N N 629 120.503 120.503 120.527 -0.024 18694 8145 1 17 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.513 -0.030 18694 8146 1 17 . 1 1 629 629 VAL C C 629 177.552 177.552 178.165 -0.613 18694 8147 1 17 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.906 0.319 18694 8148 1 17 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.332 0.355 18694 8149 1 17 . 1 1 629 629 VAL H H 629 8.246 8.246 7.675 0.571 18694 8150 1 17 . 1 1 630 630 ALA N N 630 120.687 120.687 122.612 -1.925 18694 8151 1 17 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.014 0.018 18694 8152 1 17 . 1 1 630 630 ALA C C 630 180.849 180.849 179.250 1.599 18694 8153 1 17 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.216 0.198 18694 8154 1 17 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.035 0.057 18694 8155 1 17 . 1 1 630 630 ALA H H 630 8.159 8.159 8.605 -0.446 18694 8156 1 17 . 1 1 631 631 TYR N N 631 121.083 121.083 120.339 0.744 18694 8157 1 17 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.050 0.189 18694 8158 1 17 . 1 1 631 631 TYR C C 631 177.591 177.591 177.312 0.279 18694 8159 1 17 . 1 1 631 631 TYR CA C 631 61.311 61.311 61.044 0.267 18694 8160 1 17 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.250 -0.031 18694 8161 1 17 . 1 1 631 631 TYR H H 631 8.102 8.102 8.357 -0.255 18694 8162 1 17 . 1 1 632 632 ALA N N 632 122.444 122.444 121.389 1.055 18694 8163 1 17 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.856 -0.174 18694 8164 1 17 . 1 1 632 632 ALA C C 632 179.014 179.014 179.603 -0.589 18694 8165 1 17 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.322 0.020 18694 8166 1 17 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.064 1.760 18694 8167 1 17 . 1 1 632 632 ALA H H 632 8.292 8.292 8.126 0.166 18694 8168 1 17 . 1 1 633 633 LYS N N 633 115.912 115.912 118.901 -2.989 18694 8169 1 17 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.928 0.082 18694 8170 1 17 . 1 1 633 633 LYS C C 633 180.004 180.004 178.975 1.029 18694 8171 1 17 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.613 1.091 18694 8172 1 17 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.788 0.879 18694 8173 1 17 . 1 1 633 633 LYS H H 633 8.548 8.548 8.025 0.523 18694 8174 1 17 . 1 1 634 634 LYS N N 634 123.870 123.870 120.229 3.641 18694 8175 1 17 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.975 0.037 18694 8176 1 17 . 1 1 634 634 LYS C C 634 178.603 178.603 178.778 -0.175 18694 8177 1 17 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.799 0.303 18694 8178 1 17 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.576 0.213 18694 8179 1 17 . 1 1 634 634 LYS H H 634 7.943 7.943 7.997 -0.054 18694 8180 1 17 . 1 1 635 635 VAL N N 635 119.215 119.215 119.016 0.199 18694 8181 1 17 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.373 0.303 18694 8182 1 17 . 1 1 635 635 VAL C C 635 178.574 178.574 177.616 0.958 18694 8183 1 17 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.849 -0.749 18694 8184 1 17 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.575 0.036 18694 8185 1 17 . 1 1 635 635 VAL H H 635 8.165 8.165 8.083 0.082 18694 8186 1 17 . 1 1 636 636 GLU N N 636 120.094 120.094 120.227 -0.133 18694 8187 1 17 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.051 -0.189 18694 8188 1 17 . 1 1 636 636 GLU C C 636 178.666 178.666 179.281 -0.615 18694 8189 1 17 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.386 2.303 18694 8190 1 17 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.383 0.336 18694 8191 1 17 . 1 1 636 636 GLU H H 636 8.331 8.331 8.437 -0.106 18694 8192 1 17 . 1 1 637 637 GLY N N 637 106.839 106.839 108.220 -1.381 18694 8193 1 17 . 1 1 637 637 GLY C C 637 176.614 176.614 176.102 0.512 18694 8194 1 17 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.758 0.579 18694 8195 1 17 . 1 1 637 637 GLY H H 637 8.145 8.145 8.145 0.000 18694 8196 1 17 . 1 1 638 638 ASP N N 638 122.731 122.731 122.899 -0.168 18694 8197 1 17 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.446 0.097 18694 8198 1 17 . 1 1 638 638 ASP C C 638 180.109 180.109 178.767 1.342 18694 8199 1 17 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.592 0.302 18694 8200 1 17 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.097 -1.009 18694 8201 1 17 . 1 1 638 638 ASP H H 638 8.338 8.338 8.068 0.270 18694 8202 1 17 . 1 1 639 639 MET N N 639 121.055 121.055 118.748 2.307 18694 8203 1 17 . 1 1 639 639 MET HA H 639 4.389 4.389 4.142 0.247 18694 8204 1 17 . 1 1 639 639 MET C C 639 177.737 177.737 178.375 -0.638 18694 8205 1 17 . 1 1 639 639 MET CA C 639 58.675 58.675 57.830 0.845 18694 8206 1 17 . 1 1 639 639 MET CB C 639 32.530 32.530 31.738 0.792 18694 8207 1 17 . 1 1 639 639 MET H H 639 8.193 8.193 8.705 -0.512 18694 8208 1 17 . 1 1 640 640 TYR N N 640 121.235 121.235 119.549 1.686 18694 8209 1 17 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.771 0.527 18694 8210 1 17 . 1 1 640 640 TYR C C 640 178.311 178.311 177.650 0.661 18694 8211 1 17 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.723 0.184 18694 8212 1 17 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.944 1.006 18694 8213 1 17 . 1 1 640 640 TYR H H 640 9.328 9.328 8.074 1.254 18694 8214 1 17 . 1 1 641 641 GLU N N 641 115.098 115.098 116.923 -1.825 18694 8215 1 17 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.941 0.425 18694 8216 1 17 . 1 1 641 641 GLU C C 641 178.006 178.006 178.570 -0.564 18694 8217 1 17 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.944 -1.498 18694 8218 1 17 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.244 0.459 18694 8219 1 17 . 1 1 641 641 GLU H H 641 8.079 8.079 7.562 0.517 18694 8220 1 17 . 1 1 642 642 SER N N 642 112.869 112.869 114.932 -2.063 18694 8221 1 17 . 1 1 642 642 SER HA H 642 4.394 4.394 4.257 0.137 18694 8222 1 17 . 1 1 642 642 SER C C 642 175.251 175.251 176.410 -1.159 18694 8223 1 17 . 1 1 642 642 SER CA C 642 60.175 60.175 60.521 -0.346 18694 8224 1 17 . 1 1 642 642 SER CB C 642 64.388 64.388 63.179 1.209 18694 8225 1 17 . 1 1 642 642 SER H H 642 7.968 7.968 7.549 0.419 18694 8226 1 17 . 1 1 643 643 ALA N N 643 123.763 123.763 122.747 1.016 18694 8227 1 17 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.103 0.124 18694 8228 1 17 . 1 1 643 643 ALA C C 643 177.897 177.897 176.868 1.029 18694 8229 1 17 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.736 -0.137 18694 8230 1 17 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.072 2.620 18694 8231 1 17 . 1 1 643 643 ALA H H 643 8.096 8.096 8.256 -0.160 18694 8232 1 17 . 1 1 644 644 ASN N N 644 117.176 117.176 117.526 -0.350 18694 8233 1 17 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.366 0.744 18694 8234 1 17 . 1 1 644 644 ASN C C 644 173.978 173.978 173.863 0.115 18694 8235 1 17 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.452 -0.097 18694 8236 1 17 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.849 1.371 18694 8237 1 17 . 1 1 644 644 ASN H H 644 9.102 9.102 8.140 0.962 18694 8238 1 17 . 1 1 645 645 SER N N 645 111.225 111.225 111.742 -0.517 18694 8239 1 17 . 1 1 645 645 SER HA H 645 3.632 3.632 3.920 -0.288 18694 8240 1 17 . 1 1 645 645 SER C C 645 171.965 171.965 173.884 -1.919 18694 8241 1 17 . 1 1 645 645 SER CA C 645 56.522 56.522 57.007 -0.485 18694 8242 1 17 . 1 1 645 645 SER CB C 645 64.968 64.968 65.229 -0.261 18694 8243 1 17 . 1 1 645 645 SER H H 645 6.865 6.865 7.301 -0.436 18694 8244 1 17 . 1 1 646 646 ARG N N 646 121.944 121.944 124.312 -2.368 18694 8245 1 17 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.084 -0.898 18694 8246 1 17 . 1 1 646 646 ARG C C 646 177.709 177.709 178.283 -0.574 18694 8247 1 17 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.961 -0.930 18694 8248 1 17 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.988 0.265 18694 8249 1 17 . 1 1 646 646 ARG H H 646 8.685 8.685 8.538 0.147 18694 8250 1 17 . 1 1 647 647 ASP N N 647 116.817 116.817 118.621 -1.804 18694 8251 1 17 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.574 -0.279 18694 8252 1 17 . 1 1 647 647 ASP C C 647 178.860 178.860 178.549 0.311 18694 8253 1 17 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.303 -0.178 18694 8254 1 17 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.483 -0.194 18694 8255 1 17 . 1 1 647 647 ASP H H 647 8.119 8.119 8.360 -0.241 18694 8256 1 17 . 1 1 648 648 GLU N N 648 121.231 121.231 120.298 0.933 18694 8257 1 17 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.048 -0.058 18694 8258 1 17 . 1 1 648 648 GLU C C 648 177.064 177.064 178.732 -1.668 18694 8259 1 17 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.504 -0.242 18694 8260 1 17 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.352 0.786 18694 8261 1 17 . 1 1 648 648 GLU H H 648 7.799 7.799 8.386 -0.587 18694 8262 1 17 . 1 1 649 649 TYR N N 649 122.045 122.045 120.797 1.248 18694 8263 1 17 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.091 -0.092 18694 8264 1 17 . 1 1 649 649 TYR C C 649 176.140 176.140 177.782 -1.642 18694 8265 1 17 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.957 0.712 18694 8266 1 17 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.151 0.806 18694 8267 1 17 . 1 1 649 649 TYR H H 649 7.338 7.338 8.213 -0.875 18694 8268 1 17 . 1 1 650 650 TYR N N 650 115.581 115.581 116.775 -1.194 18694 8269 1 17 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.954 0.045 18694 8270 1 17 . 1 1 650 650 TYR C C 650 179.058 179.058 178.190 0.868 18694 8271 1 17 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.601 -2.108 18694 8272 1 17 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.133 -0.491 18694 8273 1 17 . 1 1 650 650 TYR H H 650 8.072 8.072 7.882 0.190 18694 8274 1 17 . 1 1 651 651 HIS N N 651 118.435 118.435 119.804 -1.369 18694 8275 1 17 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.217 0.096 18694 8276 1 17 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.137 -0.834 18694 8277 1 17 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.309 -2.053 18694 8278 1 17 . 1 1 651 651 HIS H H 651 8.311 8.311 8.080 0.231 18694 8279 1 17 . 1 1 652 652 LEU N N 652 121.135 121.135 119.709 1.426 18694 8280 1 17 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.814 0.179 18694 8281 1 17 . 1 1 652 652 LEU C C 652 180.822 180.822 179.422 1.400 18694 8282 1 17 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.028 -0.135 18694 8283 1 17 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.893 0.144 18694 8284 1 17 . 1 1 652 652 LEU H H 652 9.141 9.141 8.164 0.977 18694 8285 1 17 . 1 1 653 653 LEU N N 653 120.947 120.947 118.892 2.055 18694 8286 1 17 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.853 -0.020 18694 8287 1 17 . 1 1 653 653 LEU C C 653 178.085 178.085 178.889 -0.804 18694 8288 1 17 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.170 0.168 18694 8289 1 17 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.289 0.597 18694 8290 1 17 . 1 1 653 653 LEU H H 653 7.769 7.769 7.434 0.335 18694 8291 1 17 . 1 1 654 654 ALA N N 654 120.863 120.863 121.226 -0.363 18694 8292 1 17 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.912 -0.028 18694 8293 1 17 . 1 1 654 654 ALA C C 654 180.274 180.274 179.497 0.777 18694 8294 1 17 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.266 0.090 18694 8295 1 17 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.924 0.266 18694 8296 1 17 . 1 1 654 654 ALA H H 654 8.111 8.111 8.207 -0.096 18694 8297 1 17 . 1 1 655 655 GLU N N 655 118.047 118.047 118.837 -0.790 18694 8298 1 17 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.938 0.080 18694 8299 1 17 . 1 1 655 655 GLU C C 655 178.311 178.311 178.464 -0.153 18694 8300 1 17 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.460 -0.381 18694 8301 1 17 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.284 0.130 18694 8302 1 17 . 1 1 655 655 GLU H H 655 8.363 8.363 8.446 -0.083 18694 8303 1 17 . 1 1 656 656 LYS N N 656 120.122 120.122 119.888 0.234 18694 8304 1 17 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.061 -0.011 18694 8305 1 17 . 1 1 656 656 LYS C C 656 178.388 178.388 179.105 -0.717 18694 8306 1 17 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.409 -1.280 18694 8307 1 17 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.359 -0.949 18694 8308 1 17 . 1 1 656 656 LYS H H 656 7.852 7.852 7.725 0.127 18694 8309 1 17 . 1 1 657 657 ILE N N 657 118.294 118.294 119.736 -1.442 18694 8310 1 17 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.693 -0.302 18694 8311 1 17 . 1 1 657 657 ILE C C 657 177.061 177.061 177.934 -0.873 18694 8312 1 17 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.430 1.096 18694 8313 1 17 . 1 1 657 657 ILE CB C 657 37.900 37.900 38.053 -0.153 18694 8314 1 17 . 1 1 657 657 ILE H H 657 8.199 8.199 8.185 0.014 18694 8315 1 17 . 1 1 658 658 TYR N N 658 119.430 119.430 120.900 -1.470 18694 8316 1 17 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.429 -0.126 18694 8317 1 17 . 1 1 658 658 TYR C C 658 177.869 177.869 177.762 0.107 18694 8318 1 17 . 1 1 658 658 TYR CA C 658 60.869 60.869 59.877 0.992 18694 8319 1 17 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.128 0.077 18694 8320 1 17 . 1 1 658 658 TYR H H 658 8.066 8.066 8.308 -0.242 18694 8321 1 17 . 1 1 659 659 LYS N N 659 118.321 118.321 118.941 -0.620 18694 8322 1 17 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.892 -0.078 18694 8323 1 17 . 1 1 659 659 LYS C C 659 180.019 180.019 179.151 0.868 18694 8324 1 17 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.760 1.100 18694 8325 1 17 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.713 0.978 18694 8326 1 17 . 1 1 659 659 LYS H H 659 8.309 8.309 7.821 0.488 18694 8327 1 17 . 1 1 660 660 ILE N N 660 121.103 121.103 120.581 0.522 18694 8328 1 17 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.640 -0.054 18694 8329 1 17 . 1 1 660 660 ILE C C 660 177.404 177.404 177.897 -0.493 18694 8330 1 17 . 1 1 660 660 ILE CA C 660 66.076 66.076 64.944 1.133 18694 8331 1 17 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.884 0.500 18694 8332 1 17 . 1 1 660 660 ILE H H 660 8.546 8.546 7.878 0.668 18694 8333 1 17 . 1 1 661 661 GLN N N 661 118.093 118.093 118.948 -0.855 18694 8334 1 17 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.915 0.016 18694 8335 1 17 . 1 1 661 661 GLN C C 661 179.682 179.682 178.297 1.385 18694 8336 1 17 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.244 0.624 18694 8337 1 17 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.481 -0.420 18694 8338 1 17 . 1 1 661 661 GLN H H 661 8.554 8.554 8.136 0.418 18694 8339 1 17 . 1 1 662 662 LYS N N 662 119.532 119.532 120.050 -0.518 18694 8340 1 17 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.906 0.055 18694 8341 1 17 . 1 1 662 662 LYS C C 662 178.745 178.745 179.015 -0.270 18694 8342 1 17 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.681 -0.161 18694 8343 1 17 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.817 -0.195 18694 8344 1 17 . 1 1 662 662 LYS H H 662 8.110 8.110 7.990 0.120 18694 8345 1 17 . 1 1 663 663 GLU N N 663 121.313 121.313 119.243 2.070 18694 8346 1 17 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.053 -0.032 18694 8347 1 17 . 1 1 663 663 GLU C C 663 179.429 179.429 179.705 -0.276 18694 8348 1 17 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.164 0.329 18694 8349 1 17 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.315 -0.151 18694 8350 1 17 . 1 1 663 663 GLU H H 663 8.011 8.011 7.910 0.101 18694 8351 1 17 . 1 1 664 664 LEU N N 664 119.460 119.460 120.086 -0.626 18694 8352 1 17 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.951 -0.033 18694 8353 1 17 . 1 1 664 664 LEU C C 664 178.785 178.785 178.800 -0.015 18694 8354 1 17 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.035 0.139 18694 8355 1 17 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.641 0.264 18694 8356 1 17 . 1 1 664 664 LEU H H 664 8.342 8.342 8.391 -0.049 18694 8357 1 17 . 1 1 665 665 GLU N N 665 118.822 118.822 117.900 0.922 18694 8358 1 17 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.927 0.046 18694 8359 1 17 . 1 1 665 665 GLU C C 665 179.161 179.161 178.809 0.352 18694 8360 1 17 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.082 -0.267 18694 8361 1 17 . 1 1 665 665 GLU CB C 665 29.133 29.133 28.939 0.195 18694 8362 1 17 . 1 1 665 665 GLU H H 665 8.018 8.018 7.874 0.144 18694 8363 1 17 . 1 1 666 666 GLU N N 666 118.722 118.722 120.890 -2.168 18694 8364 1 17 . 1 1 666 666 GLU HA H 666 3.972 3.972 3.898 0.074 18694 8365 1 17 . 1 1 666 666 GLU C C 666 179.536 179.536 178.860 0.676 18694 8366 1 17 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.522 -0.612 18694 8367 1 17 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.472 -0.591 18694 8368 1 17 . 1 1 666 666 GLU H H 666 8.014 8.014 8.268 -0.254 18694 8369 1 17 . 1 1 667 667 LYS N N 667 119.177 119.177 118.532 0.645 18694 8370 1 17 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.062 0.079 18694 8371 1 17 . 1 1 667 667 LYS C C 667 179.425 179.425 179.551 -0.126 18694 8372 1 17 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.556 -1.173 18694 8373 1 17 . 1 1 667 667 LYS CB C 667 32.005 32.005 31.969 0.036 18694 8374 1 17 . 1 1 667 667 LYS H H 667 8.056 8.056 7.777 0.279 18694 8375 1 17 . 1 1 668 668 ARG N N 668 119.491 119.491 117.990 1.501 18694 8376 1 17 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.168 -0.209 18694 8377 1 17 . 1 1 668 668 ARG C C 668 178.260 178.260 178.528 -0.268 18694 8378 1 17 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.136 0.827 18694 8379 1 17 . 1 1 668 668 ARG CB C 668 30.211 30.211 30.172 0.039 18694 8380 1 17 . 1 1 668 668 ARG H H 668 8.218 8.218 7.516 0.702 18694 8381 1 17 . 1 1 669 669 ARG N N 669 117.972 117.972 120.012 -2.040 18694 8382 1 17 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.235 -0.065 18694 8383 1 17 . 1 1 669 669 ARG C C 669 177.325 177.325 177.381 -0.056 18694 8384 1 17 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.023 -0.472 18694 8385 1 17 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.300 -0.191 18694 8386 1 17 . 1 1 669 669 ARG H H 669 7.793 7.793 8.070 -0.277 18694 8387 1 17 . 1 1 670 670 SER N N 670 114.336 114.336 112.322 2.014 18694 8388 1 17 . 1 1 670 670 SER HA H 670 4.410 4.410 4.531 -0.121 18694 8389 1 17 . 1 1 670 670 SER C C 670 174.266 174.266 174.709 -0.443 18694 8390 1 17 . 1 1 670 670 SER CA C 670 58.946 58.946 58.548 0.398 18694 8391 1 17 . 1 1 670 670 SER CB C 670 63.814 63.814 63.644 0.170 18694 8392 1 17 . 1 1 670 670 SER H H 670 7.794 7.794 7.787 0.007 18694 8393 1 17 . 1 1 671 671 ARG N N 671 122.062 122.062 123.015 -0.953 18694 8394 1 17 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.156 0.191 18694 8395 1 17 . 1 1 671 671 ARG C C 671 175.272 175.272 175.398 -0.126 18694 8396 1 17 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.812 -0.691 18694 8397 1 17 . 1 1 671 671 ARG CB C 671 30.507 30.507 31.016 -0.509 18694 8398 1 17 . 1 1 671 671 ARG H H 671 7.740 7.740 7.350 0.390 18694 8399 1 18 . 1 1 587 587 VAL N N 587 119.752 119.752 119.985 -0.233 18694 8400 1 18 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.240 -0.142 18694 8401 1 18 . 1 1 587 587 VAL C C 587 176.340 176.340 176.584 -0.244 18694 8402 1 18 . 1 1 587 587 VAL CA C 587 62.229 62.229 61.277 0.952 18694 8403 1 18 . 1 1 587 587 VAL CB C 587 32.782 32.782 32.721 0.061 18694 8404 1 18 . 1 1 587 587 VAL H H 587 8.027 8.027 7.948 0.079 18694 8405 1 18 . 1 1 588 588 ARG N N 588 125.669 125.669 121.741 3.928 18694 8406 1 18 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.242 0.080 18694 8407 1 18 . 1 1 588 588 ARG C C 588 176.109 176.109 176.418 -0.309 18694 8408 1 18 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.567 -0.400 18694 8409 1 18 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.343 0.308 18694 8410 1 18 . 1 1 588 588 ARG H H 588 8.528 8.528 8.380 0.148 18694 8411 1 18 . 1 1 589 589 LYS N N 589 121.018 121.018 121.986 -0.968 18694 8412 1 18 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.155 0.031 18694 8413 1 18 . 1 1 589 589 LYS C C 589 177.598 177.598 174.823 2.775 18694 8414 1 18 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.641 -0.718 18694 8415 1 18 . 1 1 589 589 LYS CB C 589 32.589 32.589 31.994 0.595 18694 8416 1 18 . 1 1 589 589 LYS H H 589 8.116 8.116 7.714 0.402 18694 8417 1 18 . 1 1 590 590 GLY N N 590 112.531 112.531 114.189 -1.658 18694 8418 1 18 . 1 1 590 590 GLY C C 590 176.465 176.465 173.610 2.855 18694 8419 1 18 . 1 1 590 590 GLY CA C 590 47.196 47.196 45.004 2.192 18694 8420 1 18 . 1 1 590 590 GLY H H 590 8.669 8.669 8.220 0.449 18694 8421 1 18 . 1 1 591 591 TRP N N 591 119.435 119.435 121.128 -1.693 18694 8422 1 18 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.679 -0.174 18694 8423 1 18 . 1 1 591 591 TRP C C 591 178.177 178.177 175.988 2.189 18694 8424 1 18 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.818 0.310 18694 8425 1 18 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.992 -1.238 18694 8426 1 18 . 1 1 591 591 TRP H H 591 8.026 8.026 7.351 0.675 18694 8427 1 18 . 1 1 592 592 HIS N N 592 119.340 119.340 118.247 1.093 18694 8428 1 18 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.820 -1.319 18694 8429 1 18 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.303 -1.026 18694 8430 1 18 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.195 -1.711 18694 8431 1 18 . 1 1 592 592 HIS H H 592 7.165 7.165 8.724 -1.559 18694 8432 1 18 . 1 1 593 593 GLU N N 593 116.536 116.536 120.054 -3.518 18694 8433 1 18 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.072 -0.092 18694 8434 1 18 . 1 1 593 593 GLU C C 593 176.675 176.675 177.229 -0.554 18694 8435 1 18 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.970 -0.862 18694 8436 1 18 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.903 0.277 18694 8437 1 18 . 1 1 593 593 GLU H H 593 7.726 7.726 8.809 -1.083 18694 8438 1 18 . 1 1 594 594 HIS N N 594 112.885 112.885 114.503 -1.618 18694 8439 1 18 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.536 0.414 18694 8440 1 18 . 1 1 594 594 HIS CA C 594 54.264 54.264 56.542 -2.278 18694 8441 1 18 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.490 -0.308 18694 8442 1 18 . 1 1 594 594 HIS H H 594 7.530 7.530 8.405 -0.875 18694 8443 1 18 . 1 1 595 595 VAL N N 595 120.678 120.678 118.023 2.655 18694 8444 1 18 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.221 0.279 18694 8445 1 18 . 1 1 595 595 VAL C C 595 174.593 174.593 174.693 -0.100 18694 8446 1 18 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.881 1.162 18694 8447 1 18 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.553 -1.191 18694 8448 1 18 . 1 1 595 595 VAL H H 595 7.492 7.492 7.841 -0.349 18694 8449 1 18 . 1 1 596 596 THR N N 596 115.525 115.525 118.436 -2.911 18694 8450 1 18 . 1 1 596 596 THR HA H 596 4.494 4.494 4.567 -0.073 18694 8451 1 18 . 1 1 596 596 THR C C 596 175.419 175.419 175.624 -0.205 18694 8452 1 18 . 1 1 596 596 THR CA C 596 60.001 60.001 60.041 -0.040 18694 8453 1 18 . 1 1 596 596 THR CB C 596 71.072 71.072 71.025 0.047 18694 8454 1 18 . 1 1 596 596 THR H H 596 7.583 7.583 8.247 -0.664 18694 8455 1 18 . 1 1 597 597 GLN N N 597 120.346 120.346 124.521 -4.175 18694 8456 1 18 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.029 -0.211 18694 8457 1 18 . 1 1 597 597 GLN C C 597 178.079 178.079 177.398 0.681 18694 8458 1 18 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.263 -0.509 18694 8459 1 18 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.539 -0.527 18694 8460 1 18 . 1 1 597 597 GLN H H 597 8.929 8.929 8.911 0.018 18694 8461 1 18 . 1 1 598 598 ASP N N 598 117.842 117.842 119.860 -2.018 18694 8462 1 18 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.397 -0.057 18694 8463 1 18 . 1 1 598 598 ASP C C 598 178.494 178.494 178.593 -0.099 18694 8464 1 18 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.441 -0.548 18694 8465 1 18 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.721 -0.187 18694 8466 1 18 . 1 1 598 598 ASP H H 598 8.382 8.382 7.769 0.613 18694 8467 1 18 . 1 1 599 599 LEU N N 599 123.174 123.174 120.177 2.997 18694 8468 1 18 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.007 0.236 18694 8469 1 18 . 1 1 599 599 LEU C C 599 179.129 179.129 178.383 0.746 18694 8470 1 18 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.794 0.649 18694 8471 1 18 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.773 -0.139 18694 8472 1 18 . 1 1 599 599 LEU H H 599 7.671 7.671 8.019 -0.348 18694 8473 1 18 . 1 1 600 600 ARG N N 600 118.132 118.132 118.848 -0.716 18694 8474 1 18 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.060 0.262 18694 8475 1 18 . 1 1 600 600 ARG C C 600 179.103 179.103 179.166 -0.063 18694 8476 1 18 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.679 0.717 18694 8477 1 18 . 1 1 600 600 ARG CB C 600 30.520 30.520 29.982 0.538 18694 8478 1 18 . 1 1 600 600 ARG H H 600 7.768 7.768 7.668 0.100 18694 8479 1 18 . 1 1 601 601 SER N N 601 112.865 112.865 114.379 -1.514 18694 8480 1 18 . 1 1 601 601 SER HA H 601 4.134 4.134 4.315 -0.181 18694 8481 1 18 . 1 1 601 601 SER C C 601 177.665 177.665 176.742 0.923 18694 8482 1 18 . 1 1 601 601 SER CA C 601 61.534 61.534 61.657 -0.123 18694 8483 1 18 . 1 1 601 601 SER CB C 601 62.758 62.758 62.888 -0.130 18694 8484 1 18 . 1 1 601 601 SER H H 601 8.501 8.501 8.225 0.276 18694 8485 1 18 . 1 1 602 602 HIS N N 602 121.543 121.543 123.590 -2.047 18694 8486 1 18 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.402 0.091 18694 8487 1 18 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.242 -1.333 18694 8488 1 18 . 1 1 602 602 HIS CB C 602 28.089 28.089 29.941 -1.851 18694 8489 1 18 . 1 1 602 602 HIS H H 602 8.098 8.098 8.201 -0.103 18694 8490 1 18 . 1 1 603 603 LEU N N 603 122.394 122.394 119.218 3.176 18694 8491 1 18 . 1 1 603 603 LEU HA H 603 4.028 4.028 4.022 0.006 18694 8492 1 18 . 1 1 603 603 LEU C C 603 179.275 179.275 179.002 0.273 18694 8493 1 18 . 1 1 603 603 LEU CA C 603 58.097 58.097 58.082 0.015 18694 8494 1 18 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.559 -1.337 18694 8495 1 18 . 1 1 603 603 LEU H H 603 8.293 8.293 8.034 0.259 18694 8496 1 18 . 1 1 604 604 VAL N N 604 120.325 120.325 119.432 0.893 18694 8497 1 18 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.594 -0.166 18694 8498 1 18 . 1 1 604 604 VAL C C 604 178.026 178.026 178.466 -0.440 18694 8499 1 18 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.269 1.623 18694 8500 1 18 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.824 0.779 18694 8501 1 18 . 1 1 604 604 VAL H H 604 8.409 8.409 7.692 0.717 18694 8502 1 18 . 1 1 605 605 HIS N N 605 116.275 116.275 118.723 -2.448 18694 8503 1 18 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.225 0.027 18694 8504 1 18 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.597 -1.506 18694 8505 1 18 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.278 -1.398 18694 8506 1 18 . 1 1 605 605 HIS H H 605 7.908 7.908 7.872 0.036 18694 8507 1 18 . 1 1 606 606 LYS N N 606 119.506 119.506 119.865 -0.359 18694 8508 1 18 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.025 0.248 18694 8509 1 18 . 1 1 606 606 LYS C C 606 178.947 178.947 179.032 -0.085 18694 8510 1 18 . 1 1 606 606 LYS CA C 606 58.804 58.804 58.740 0.064 18694 8511 1 18 . 1 1 606 606 LYS H H 606 8.092 8.092 7.629 0.463 18694 8512 1 18 . 1 1 607 607 LEU N N 607 121.321 121.321 121.753 -0.432 18694 8513 1 18 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.992 -0.034 18694 8514 1 18 . 1 1 607 607 LEU C C 607 177.899 177.899 178.579 -0.680 18694 8515 1 18 . 1 1 607 607 LEU CA C 607 58.826 58.826 58.151 0.675 18694 8516 1 18 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.085 0.438 18694 8517 1 18 . 1 1 607 607 LEU H H 607 7.994 7.994 7.762 0.232 18694 8518 1 18 . 1 1 608 608 VAL N N 608 118.191 118.191 118.789 -0.598 18694 8519 1 18 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.483 -0.136 18694 8520 1 18 . 1 1 608 608 VAL C C 608 177.033 177.033 178.022 -0.989 18694 8521 1 18 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.532 1.411 18694 8522 1 18 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.564 0.089 18694 8523 1 18 . 1 1 608 608 VAL H H 608 8.036 8.036 8.154 -0.118 18694 8524 1 18 . 1 1 609 609 GLN N N 609 116.772 116.772 120.071 -3.299 18694 8525 1 18 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.218 -0.330 18694 8526 1 18 . 1 1 609 609 GLN C C 609 176.992 176.992 177.859 -0.867 18694 8527 1 18 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.478 -0.370 18694 8528 1 18 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.349 0.804 18694 8529 1 18 . 1 1 609 609 GLN H H 609 8.108 8.108 8.510 -0.402 18694 8530 1 18 . 1 1 610 610 ALA N N 610 119.316 119.316 120.887 -1.571 18694 8531 1 18 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.172 -0.139 18694 8532 1 18 . 1 1 610 610 ALA C C 610 178.498 178.498 178.898 -0.400 18694 8533 1 18 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.625 -0.847 18694 8534 1 18 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.383 1.009 18694 8535 1 18 . 1 1 610 610 ALA H H 610 7.756 7.756 7.672 0.084 18694 8536 1 18 . 1 1 611 611 ILE N N 611 115.839 115.839 116.648 -0.809 18694 8537 1 18 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.072 -0.397 18694 8538 1 18 . 1 1 611 611 ILE C C 611 174.299 174.299 176.574 -2.275 18694 8539 1 18 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.454 0.271 18694 8540 1 18 . 1 1 611 611 ILE CB C 611 39.306 39.306 38.964 0.342 18694 8541 1 18 . 1 1 611 611 ILE H H 611 7.498 7.498 7.204 0.294 18694 8542 1 18 . 1 1 612 612 PHE N N 612 116.531 116.531 119.696 -3.165 18694 8543 1 18 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.905 0.191 18694 8544 1 18 . 1 1 612 612 PHE C C 612 171.610 171.610 173.666 -2.056 18694 8545 1 18 . 1 1 612 612 PHE CA C 612 51.716 51.716 55.112 -3.396 18694 8546 1 18 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.640 -1.958 18694 8547 1 18 . 1 1 612 612 PHE H H 612 8.235 8.235 8.166 0.069 18694 8548 1 18 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.690 -0.117 18694 8549 1 18 . 1 1 613 613 PRO C C 613 178.269 178.269 176.499 1.770 18694 8550 1 18 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.431 1.347 18694 8551 1 18 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.997 0.447 18694 8552 1 18 . 1 1 614 614 THR N N 614 109.561 109.561 113.095 -3.534 18694 8553 1 18 . 1 1 614 614 THR HA H 614 4.470 4.470 4.463 0.007 18694 8554 1 18 . 1 1 614 614 THR C C 614 172.048 172.048 173.127 -1.079 18694 8555 1 18 . 1 1 614 614 THR CA C 614 58.106 58.106 59.389 -1.283 18694 8556 1 18 . 1 1 614 614 THR CB C 614 69.549 69.549 68.773 0.776 18694 8557 1 18 . 1 1 614 614 THR H H 614 8.025 8.025 7.422 0.603 18694 8558 1 18 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.660 -0.670 18694 8559 1 18 . 1 1 615 615 PRO C C 615 176.462 176.462 176.014 0.448 18694 8560 1 18 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.311 0.381 18694 8561 1 18 . 1 1 615 615 PRO CB C 615 31.302 31.302 31.000 0.302 18694 8562 1 18 . 1 1 616 616 ASP N N 616 122.743 122.743 123.463 -0.720 18694 8563 1 18 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.888 -0.135 18694 8564 1 18 . 1 1 616 616 ASP C C 616 174.226 174.226 175.984 -1.758 18694 8565 1 18 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.022 0.836 18694 8566 1 18 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.596 -3.666 18694 8567 1 18 . 1 1 616 616 ASP H H 616 8.145 8.145 7.964 0.181 18694 8568 1 18 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.297 -0.187 18694 8569 1 18 . 1 1 617 617 PRO C C 617 178.885 178.885 177.144 1.741 18694 8570 1 18 . 1 1 617 617 PRO CA C 617 66.015 66.015 65.013 1.002 18694 8571 1 18 . 1 1 617 617 PRO CB C 617 31.934 31.934 32.072 -0.138 18694 8572 1 18 . 1 1 618 618 ALA N N 618 118.548 118.548 120.296 -1.748 18694 8573 1 18 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.267 -0.184 18694 8574 1 18 . 1 1 618 618 ALA C C 618 180.518 180.518 179.976 0.542 18694 8575 1 18 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.125 0.597 18694 8576 1 18 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.329 -0.138 18694 8577 1 18 . 1 1 618 618 ALA H H 618 8.093 8.093 8.006 0.087 18694 8578 1 18 . 1 1 619 619 ALA N N 619 122.623 122.623 122.833 -0.210 18694 8579 1 18 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.061 0.264 18694 8580 1 18 . 1 1 619 619 ALA C C 619 179.318 179.318 179.844 -0.526 18694 8581 1 18 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.746 -0.061 18694 8582 1 18 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.350 0.305 18694 8583 1 18 . 1 1 619 619 ALA H H 619 8.039 8.039 8.896 -0.857 18694 8584 1 18 . 1 1 620 620 LEU N N 620 114.041 114.041 116.713 -2.672 18694 8585 1 18 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.193 -0.146 18694 8586 1 18 . 1 1 620 620 LEU C C 620 178.288 178.288 177.380 0.908 18694 8587 1 18 . 1 1 620 620 LEU CA C 620 57.139 57.139 56.987 0.152 18694 8588 1 18 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.569 0.578 18694 8589 1 18 . 1 1 620 620 LEU H H 620 7.606 7.606 8.021 -0.415 18694 8590 1 18 . 1 1 621 621 LYS N N 621 115.255 115.255 115.578 -0.323 18694 8591 1 18 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.310 0.027 18694 8592 1 18 . 1 1 621 621 LYS C C 621 175.867 175.867 175.504 0.363 18694 8593 1 18 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.443 0.010 18694 8594 1 18 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.762 0.119 18694 8595 1 18 . 1 1 621 621 LYS H H 621 7.272 7.272 7.487 -0.215 18694 8596 1 18 . 1 1 622 622 ASP N N 622 123.382 123.382 120.221 3.161 18694 8597 1 18 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.665 -0.172 18694 8598 1 18 . 1 1 622 622 ASP C C 622 178.117 178.117 177.027 1.090 18694 8599 1 18 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.794 1.090 18694 8600 1 18 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.777 1.210 18694 8601 1 18 . 1 1 622 622 ASP H H 622 7.454 7.454 7.536 -0.082 18694 8602 1 18 . 1 1 623 623 ARG N N 623 130.356 130.356 126.487 3.869 18694 8603 1 18 . 1 1 623 623 ARG HA H 623 4.087 4.087 3.949 0.138 18694 8604 1 18 . 1 1 623 623 ARG C C 623 178.321 178.321 178.050 0.271 18694 8605 1 18 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.546 0.243 18694 8606 1 18 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.872 -0.360 18694 8607 1 18 . 1 1 623 623 ARG H H 623 9.107 9.107 8.837 0.270 18694 8608 1 18 . 1 1 624 624 ARG N N 624 119.125 119.125 119.881 -0.756 18694 8609 1 18 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.011 -0.177 18694 8610 1 18 . 1 1 624 624 ARG C C 624 178.521 178.521 178.402 0.119 18694 8611 1 18 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.029 -0.350 18694 8612 1 18 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.783 -1.684 18694 8613 1 18 . 1 1 624 624 ARG H H 624 9.582 9.582 7.816 1.766 18694 8614 1 18 . 1 1 625 625 MET N N 625 120.202 120.202 118.601 1.601 18694 8615 1 18 . 1 1 625 625 MET HA H 625 4.527 4.527 3.970 0.557 18694 8616 1 18 . 1 1 625 625 MET C C 625 178.749 178.749 177.820 0.929 18694 8617 1 18 . 1 1 625 625 MET CA C 625 56.796 56.796 58.583 -1.787 18694 8618 1 18 . 1 1 625 625 MET CB C 625 30.890 30.890 32.221 -1.331 18694 8619 1 18 . 1 1 625 625 MET H H 625 7.953 7.953 8.269 -0.316 18694 8620 1 18 . 1 1 626 626 GLU N N 626 117.897 117.897 120.044 -2.147 18694 8621 1 18 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.877 0.183 18694 8622 1 18 . 1 1 626 626 GLU C C 626 179.640 179.640 178.925 0.715 18694 8623 1 18 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.585 -0.605 18694 8624 1 18 . 1 1 626 626 GLU CB C 626 28.532 28.532 29.120 -0.588 18694 8625 1 18 . 1 1 626 626 GLU H H 626 7.431 7.431 8.110 -0.679 18694 8626 1 18 . 1 1 627 627 ASN N N 627 117.950 117.950 117.620 0.330 18694 8627 1 18 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.468 0.020 18694 8628 1 18 . 1 1 627 627 ASN C C 627 177.540 177.540 177.781 -0.241 18694 8629 1 18 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.744 -0.946 18694 8630 1 18 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.478 -0.974 18694 8631 1 18 . 1 1 627 627 ASN H H 627 7.442 7.442 8.208 -0.766 18694 8632 1 18 . 1 1 628 628 LEU N N 628 124.396 124.396 118.785 5.611 18694 8633 1 18 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.249 -0.060 18694 8634 1 18 . 1 1 628 628 LEU C C 628 177.838 177.838 178.258 -0.420 18694 8635 1 18 . 1 1 628 628 LEU CA C 628 59.342 59.342 57.677 1.665 18694 8636 1 18 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.475 0.226 18694 8637 1 18 . 1 1 628 628 LEU H H 628 7.873 7.873 7.298 0.575 18694 8638 1 18 . 1 1 629 629 VAL N N 629 120.503 120.503 119.909 0.594 18694 8639 1 18 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.480 0.003 18694 8640 1 18 . 1 1 629 629 VAL C C 629 177.552 177.552 178.043 -0.491 18694 8641 1 18 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.635 0.590 18694 8642 1 18 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.362 0.325 18694 8643 1 18 . 1 1 629 629 VAL H H 629 8.246 8.246 8.080 0.166 18694 8644 1 18 . 1 1 630 630 ALA N N 630 120.687 120.687 122.719 -2.032 18694 8645 1 18 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.949 0.083 18694 8646 1 18 . 1 1 630 630 ALA C C 630 180.849 180.849 179.102 1.747 18694 8647 1 18 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.219 0.195 18694 8648 1 18 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.222 -0.130 18694 8649 1 18 . 1 1 630 630 ALA H H 630 8.159 8.159 8.243 -0.084 18694 8650 1 18 . 1 1 631 631 TYR N N 631 121.083 121.083 119.512 1.571 18694 8651 1 18 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.087 0.152 18694 8652 1 18 . 1 1 631 631 TYR C C 631 177.591 177.591 176.909 0.682 18694 8653 1 18 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.673 0.638 18694 8654 1 18 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.131 0.088 18694 8655 1 18 . 1 1 631 631 TYR H H 631 8.102 8.102 7.755 0.347 18694 8656 1 18 . 1 1 632 632 ALA N N 632 122.444 122.444 121.173 1.271 18694 8657 1 18 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.863 -0.181 18694 8658 1 18 . 1 1 632 632 ALA C C 632 179.014 179.014 179.718 -0.704 18694 8659 1 18 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.073 0.269 18694 8660 1 18 . 1 1 632 632 ALA CB C 632 19.824 19.824 17.924 1.899 18694 8661 1 18 . 1 1 632 632 ALA H H 632 8.292 8.292 7.474 0.818 18694 8662 1 18 . 1 1 633 633 LYS N N 633 115.912 115.912 117.956 -2.044 18694 8663 1 18 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.965 0.045 18694 8664 1 18 . 1 1 633 633 LYS C C 633 180.004 180.004 179.108 0.896 18694 8665 1 18 . 1 1 633 633 LYS CA C 633 59.704 59.704 59.130 0.574 18694 8666 1 18 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.911 0.756 18694 8667 1 18 . 1 1 633 633 LYS H H 633 8.548 8.548 7.615 0.933 18694 8668 1 18 . 1 1 634 634 LYS N N 634 123.870 123.870 119.943 3.927 18694 8669 1 18 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.899 0.113 18694 8670 1 18 . 1 1 634 634 LYS C C 634 178.603 178.603 178.604 -0.001 18694 8671 1 18 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.570 -0.468 18694 8672 1 18 . 1 1 634 634 LYS CB C 634 31.789 31.789 32.087 -0.298 18694 8673 1 18 . 1 1 634 634 LYS H H 634 7.943 7.943 7.315 0.628 18694 8674 1 18 . 1 1 635 635 VAL N N 635 119.215 119.215 119.181 0.034 18694 8675 1 18 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.434 0.242 18694 8676 1 18 . 1 1 635 635 VAL C C 635 178.574 178.574 177.237 1.337 18694 8677 1 18 . 1 1 635 635 VAL CA C 635 66.100 66.100 67.062 -0.962 18694 8678 1 18 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.607 0.004 18694 8679 1 18 . 1 1 635 635 VAL H H 635 8.165 8.165 7.660 0.505 18694 8680 1 18 . 1 1 636 636 GLU N N 636 120.094 120.094 119.996 0.098 18694 8681 1 18 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.079 -0.217 18694 8682 1 18 . 1 1 636 636 GLU C C 636 178.666 178.666 179.173 -0.507 18694 8683 1 18 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.375 2.314 18694 8684 1 18 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.412 0.307 18694 8685 1 18 . 1 1 636 636 GLU H H 636 8.331 8.331 7.704 0.627 18694 8686 1 18 . 1 1 637 637 GLY N N 637 106.839 106.839 108.156 -1.317 18694 8687 1 18 . 1 1 637 637 GLY C C 637 176.614 176.614 176.046 0.568 18694 8688 1 18 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.735 0.602 18694 8689 1 18 . 1 1 637 637 GLY H H 637 8.145 8.145 7.649 0.496 18694 8690 1 18 . 1 1 638 638 ASP N N 638 122.731 122.731 122.708 0.023 18694 8691 1 18 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.449 0.094 18694 8692 1 18 . 1 1 638 638 ASP C C 638 180.109 180.109 179.306 0.803 18694 8693 1 18 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.506 0.388 18694 8694 1 18 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.131 -1.043 18694 8695 1 18 . 1 1 638 638 ASP H H 638 8.338 8.338 8.193 0.145 18694 8696 1 18 . 1 1 639 639 MET N N 639 121.055 121.055 119.154 1.901 18694 8697 1 18 . 1 1 639 639 MET HA H 639 4.389 4.389 4.196 0.193 18694 8698 1 18 . 1 1 639 639 MET C C 639 177.737 177.737 178.289 -0.552 18694 8699 1 18 . 1 1 639 639 MET CA C 639 58.675 58.675 57.415 1.260 18694 8700 1 18 . 1 1 639 639 MET CB C 639 32.530 32.530 31.329 1.201 18694 8701 1 18 . 1 1 639 639 MET H H 639 8.193 8.193 8.619 -0.426 18694 8702 1 18 . 1 1 640 640 TYR N N 640 121.235 121.235 120.276 0.959 18694 8703 1 18 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.802 0.496 18694 8704 1 18 . 1 1 640 640 TYR C C 640 178.311 178.311 176.318 1.993 18694 8705 1 18 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.280 0.627 18694 8706 1 18 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.964 0.986 18694 8707 1 18 . 1 1 640 640 TYR H H 640 9.328 9.328 7.823 1.505 18694 8708 1 18 . 1 1 641 641 GLU N N 641 115.098 115.098 116.830 -1.732 18694 8709 1 18 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.847 0.519 18694 8710 1 18 . 1 1 641 641 GLU C C 641 178.006 178.006 179.322 -1.316 18694 8711 1 18 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.813 -1.367 18694 8712 1 18 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.211 0.491 18694 8713 1 18 . 1 1 641 641 GLU H H 641 8.079 8.079 7.703 0.376 18694 8714 1 18 . 1 1 642 642 SER N N 642 112.869 112.869 115.597 -2.728 18694 8715 1 18 . 1 1 642 642 SER HA H 642 4.394 4.394 4.195 0.199 18694 8716 1 18 . 1 1 642 642 SER C C 642 175.251 175.251 176.135 -0.884 18694 8717 1 18 . 1 1 642 642 SER CA C 642 60.175 60.175 60.875 -0.700 18694 8718 1 18 . 1 1 642 642 SER CB C 642 64.388 64.388 62.896 1.492 18694 8719 1 18 . 1 1 642 642 SER H H 642 7.968 7.968 7.727 0.241 18694 8720 1 18 . 1 1 643 643 ALA N N 643 123.763 123.763 122.538 1.225 18694 8721 1 18 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.125 0.102 18694 8722 1 18 . 1 1 643 643 ALA C C 643 177.897 177.897 177.025 0.872 18694 8723 1 18 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.698 -0.099 18694 8724 1 18 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.050 2.642 18694 8725 1 18 . 1 1 643 643 ALA H H 643 8.096 8.096 8.169 -0.073 18694 8726 1 18 . 1 1 644 644 ASN N N 644 117.176 117.176 116.876 0.300 18694 8727 1 18 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.576 0.534 18694 8728 1 18 . 1 1 644 644 ASN C C 644 173.978 173.978 175.212 -1.234 18694 8729 1 18 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.959 -0.605 18694 8730 1 18 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.879 1.340 18694 8731 1 18 . 1 1 644 644 ASN H H 644 9.102 9.102 7.990 1.112 18694 8732 1 18 . 1 1 645 645 SER N N 645 111.225 111.225 113.078 -1.853 18694 8733 1 18 . 1 1 645 645 SER HA H 645 3.632 3.632 4.899 -1.267 18694 8734 1 18 . 1 1 645 645 SER C C 645 171.965 171.965 174.817 -2.852 18694 8735 1 18 . 1 1 645 645 SER CA C 645 56.522 56.522 57.203 -0.681 18694 8736 1 18 . 1 1 645 645 SER CB C 645 64.968 64.968 66.600 -1.632 18694 8737 1 18 . 1 1 645 645 SER H H 645 6.865 6.865 7.398 -0.533 18694 8738 1 18 . 1 1 646 646 ARG N N 646 121.944 121.944 122.972 -1.028 18694 8739 1 18 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.044 -0.858 18694 8740 1 18 . 1 1 646 646 ARG C C 646 177.709 177.709 178.488 -0.779 18694 8741 1 18 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.408 -0.377 18694 8742 1 18 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.712 0.541 18694 8743 1 18 . 1 1 646 646 ARG H H 646 8.685 8.685 9.032 -0.347 18694 8744 1 18 . 1 1 647 647 ASP N N 647 116.817 116.817 117.637 -0.820 18694 8745 1 18 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.734 -0.439 18694 8746 1 18 . 1 1 647 647 ASP C C 647 178.860 178.860 178.433 0.427 18694 8747 1 18 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.749 -0.624 18694 8748 1 18 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.690 -0.401 18694 8749 1 18 . 1 1 647 647 ASP H H 647 8.119 8.119 8.589 -0.470 18694 8750 1 18 . 1 1 648 648 GLU N N 648 121.231 121.231 120.341 0.890 18694 8751 1 18 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.056 -0.066 18694 8752 1 18 . 1 1 648 648 GLU C C 648 177.064 177.064 178.378 -1.314 18694 8753 1 18 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.236 0.026 18694 8754 1 18 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.283 0.855 18694 8755 1 18 . 1 1 648 648 GLU H H 648 7.799 7.799 7.802 -0.003 18694 8756 1 18 . 1 1 649 649 TYR N N 649 122.045 122.045 121.006 1.039 18694 8757 1 18 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.118 -0.119 18694 8758 1 18 . 1 1 649 649 TYR C C 649 176.140 176.140 177.809 -1.669 18694 8759 1 18 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.922 0.747 18694 8760 1 18 . 1 1 649 649 TYR CB C 649 38.957 38.957 37.923 1.034 18694 8761 1 18 . 1 1 649 649 TYR H H 649 7.338 7.338 7.713 -0.375 18694 8762 1 18 . 1 1 650 650 TYR N N 650 115.581 115.581 116.554 -0.973 18694 8763 1 18 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.059 -0.060 18694 8764 1 18 . 1 1 650 650 TYR C C 650 179.058 179.058 178.245 0.813 18694 8765 1 18 . 1 1 650 650 TYR CA C 650 60.493 60.493 61.904 -1.411 18694 8766 1 18 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.310 0.332 18694 8767 1 18 . 1 1 650 650 TYR H H 650 8.072 8.072 7.530 0.542 18694 8768 1 18 . 1 1 651 651 HIS N N 651 118.435 118.435 120.004 -1.569 18694 8769 1 18 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.312 0.001 18694 8770 1 18 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.352 -1.049 18694 8771 1 18 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.097 -1.841 18694 8772 1 18 . 1 1 651 651 HIS H H 651 8.311 8.311 7.816 0.495 18694 8773 1 18 . 1 1 652 652 LEU N N 652 121.135 121.135 119.797 1.338 18694 8774 1 18 . 1 1 652 652 LEU HA H 652 3.993 3.993 4.083 -0.090 18694 8775 1 18 . 1 1 652 652 LEU C C 652 180.822 180.822 179.135 1.687 18694 8776 1 18 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.452 -0.559 18694 8777 1 18 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.922 0.115 18694 8778 1 18 . 1 1 652 652 LEU H H 652 9.141 9.141 8.495 0.646 18694 8779 1 18 . 1 1 653 653 LEU N N 653 120.947 120.947 119.052 1.895 18694 8780 1 18 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.956 -0.123 18694 8781 1 18 . 1 1 653 653 LEU C C 653 178.085 178.085 179.039 -0.954 18694 8782 1 18 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.267 0.071 18694 8783 1 18 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.371 0.515 18694 8784 1 18 . 1 1 653 653 LEU H H 653 7.769 7.769 7.594 0.175 18694 8785 1 18 . 1 1 654 654 ALA N N 654 120.863 120.863 121.252 -0.389 18694 8786 1 18 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.901 -0.017 18694 8787 1 18 . 1 1 654 654 ALA C C 654 180.274 180.274 179.598 0.676 18694 8788 1 18 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.299 0.057 18694 8789 1 18 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.802 0.388 18694 8790 1 18 . 1 1 654 654 ALA H H 654 8.111 8.111 8.214 -0.103 18694 8791 1 18 . 1 1 655 655 GLU N N 655 118.047 118.047 118.850 -0.803 18694 8792 1 18 . 1 1 655 655 GLU HA H 655 4.018 4.018 4.018 -0.000 18694 8793 1 18 . 1 1 655 655 GLU C C 655 178.311 178.311 178.777 -0.466 18694 8794 1 18 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.495 -0.416 18694 8795 1 18 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.593 -0.179 18694 8796 1 18 . 1 1 655 655 GLU H H 655 8.363 8.363 8.221 0.142 18694 8797 1 18 . 1 1 656 656 LYS N N 656 120.122 120.122 119.831 0.291 18694 8798 1 18 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.145 -0.095 18694 8799 1 18 . 1 1 656 656 LYS C C 656 178.388 178.388 179.365 -0.977 18694 8800 1 18 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.372 -1.243 18694 8801 1 18 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.522 -1.111 18694 8802 1 18 . 1 1 656 656 LYS H H 656 7.852 7.852 7.972 -0.120 18694 8803 1 18 . 1 1 657 657 ILE N N 657 118.294 118.294 119.678 -1.384 18694 8804 1 18 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.716 -0.325 18694 8805 1 18 . 1 1 657 657 ILE C C 657 177.061 177.061 177.778 -0.717 18694 8806 1 18 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.345 1.181 18694 8807 1 18 . 1 1 657 657 ILE CB C 657 37.900 37.900 38.123 -0.223 18694 8808 1 18 . 1 1 657 657 ILE H H 657 8.199 8.199 8.498 -0.299 18694 8809 1 18 . 1 1 658 658 TYR N N 658 119.430 119.430 120.551 -1.121 18694 8810 1 18 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.122 0.181 18694 8811 1 18 . 1 1 658 658 TYR C C 658 177.869 177.869 177.494 0.375 18694 8812 1 18 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.866 0.003 18694 8813 1 18 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.171 0.034 18694 8814 1 18 . 1 1 658 658 TYR H H 658 8.066 8.066 8.044 0.022 18694 8815 1 18 . 1 1 659 659 LYS N N 659 118.321 118.321 118.839 -0.518 18694 8816 1 18 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.920 -0.106 18694 8817 1 18 . 1 1 659 659 LYS C C 659 180.019 180.019 179.036 0.983 18694 8818 1 18 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.978 0.882 18694 8819 1 18 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.703 0.988 18694 8820 1 18 . 1 1 659 659 LYS H H 659 8.309 8.309 7.899 0.410 18694 8821 1 18 . 1 1 660 660 ILE N N 660 121.103 121.103 119.702 1.401 18694 8822 1 18 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.672 -0.086 18694 8823 1 18 . 1 1 660 660 ILE C C 660 177.404 177.404 177.585 -0.181 18694 8824 1 18 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.247 0.829 18694 8825 1 18 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.904 0.479 18694 8826 1 18 . 1 1 660 660 ILE H H 660 8.546 8.546 7.603 0.943 18694 8827 1 18 . 1 1 661 661 GLN N N 661 118.093 118.093 118.108 -0.015 18694 8828 1 18 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.871 0.060 18694 8829 1 18 . 1 1 661 661 GLN C C 661 179.682 179.682 178.235 1.447 18694 8830 1 18 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.136 0.731 18694 8831 1 18 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.119 -0.058 18694 8832 1 18 . 1 1 661 661 GLN H H 661 8.554 8.554 7.580 0.974 18694 8833 1 18 . 1 1 662 662 LYS N N 662 119.532 119.532 120.489 -0.957 18694 8834 1 18 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.885 0.076 18694 8835 1 18 . 1 1 662 662 LYS C C 662 178.745 178.745 178.989 -0.244 18694 8836 1 18 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.812 -0.291 18694 8837 1 18 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.887 -0.265 18694 8838 1 18 . 1 1 662 662 LYS H H 662 8.110 8.110 7.563 0.547 18694 8839 1 18 . 1 1 663 663 GLU N N 663 121.313 121.313 119.527 1.786 18694 8840 1 18 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.050 -0.029 18694 8841 1 18 . 1 1 663 663 GLU C C 663 179.429 179.429 179.232 0.197 18694 8842 1 18 . 1 1 663 663 GLU CA C 663 59.493 59.493 58.975 0.518 18694 8843 1 18 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.344 -0.180 18694 8844 1 18 . 1 1 663 663 GLU H H 663 8.011 8.011 7.907 0.104 18694 8845 1 18 . 1 1 664 664 LEU N N 664 119.460 119.460 119.773 -0.313 18694 8846 1 18 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.910 0.008 18694 8847 1 18 . 1 1 664 664 LEU C C 664 178.785 178.785 179.032 -0.247 18694 8848 1 18 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.072 0.102 18694 8849 1 18 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.505 0.400 18694 8850 1 18 . 1 1 664 664 LEU H H 664 8.342 8.342 8.592 -0.250 18694 8851 1 18 . 1 1 665 665 GLU N N 665 118.822 118.822 119.107 -0.285 18694 8852 1 18 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.930 0.043 18694 8853 1 18 . 1 1 665 665 GLU C C 665 179.161 179.161 178.936 0.225 18694 8854 1 18 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.284 -0.469 18694 8855 1 18 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.165 -0.032 18694 8856 1 18 . 1 1 665 665 GLU H H 665 8.018 8.018 7.801 0.217 18694 8857 1 18 . 1 1 666 666 GLU N N 666 118.722 118.722 118.937 -0.215 18694 8858 1 18 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.081 -0.109 18694 8859 1 18 . 1 1 666 666 GLU C C 666 179.536 179.536 179.278 0.258 18694 8860 1 18 . 1 1 666 666 GLU CA C 666 58.910 58.910 58.914 -0.004 18694 8861 1 18 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.598 -0.717 18694 8862 1 18 . 1 1 666 666 GLU H H 666 8.014 8.014 7.860 0.154 18694 8863 1 18 . 1 1 667 667 LYS N N 667 119.177 119.177 117.986 1.191 18694 8864 1 18 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.095 0.046 18694 8865 1 18 . 1 1 667 667 LYS C C 667 179.425 179.425 178.995 0.430 18694 8866 1 18 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.073 -1.690 18694 8867 1 18 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.300 -0.295 18694 8868 1 18 . 1 1 667 667 LYS H H 667 8.056 8.056 8.003 0.053 18694 8869 1 18 . 1 1 668 668 ARG N N 668 119.491 119.491 116.861 2.630 18694 8870 1 18 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.133 -0.174 18694 8871 1 18 . 1 1 668 668 ARG C C 668 178.260 178.260 177.110 1.150 18694 8872 1 18 . 1 1 668 668 ARG CA C 668 58.964 58.964 57.606 1.358 18694 8873 1 18 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.673 0.538 18694 8874 1 18 . 1 1 668 668 ARG H H 668 8.218 8.218 8.029 0.189 18694 8875 1 18 . 1 1 669 669 ARG N N 669 117.972 117.972 120.072 -2.100 18694 8876 1 18 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.089 0.081 18694 8877 1 18 . 1 1 669 669 ARG C C 669 177.325 177.325 177.231 0.094 18694 8878 1 18 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.627 -1.075 18694 8879 1 18 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.549 -0.440 18694 8880 1 18 . 1 1 669 669 ARG H H 669 7.793 7.793 7.768 0.025 18694 8881 1 18 . 1 1 670 670 SER N N 670 114.336 114.336 111.771 2.565 18694 8882 1 18 . 1 1 670 670 SER HA H 670 4.410 4.410 4.476 -0.066 18694 8883 1 18 . 1 1 670 670 SER C C 670 174.266 174.266 174.323 -0.057 18694 8884 1 18 . 1 1 670 670 SER CA C 670 58.946 58.946 58.366 0.580 18694 8885 1 18 . 1 1 670 670 SER CB C 670 63.814 63.814 65.211 -1.397 18694 8886 1 18 . 1 1 670 670 SER H H 670 7.794 7.794 7.778 0.016 18694 8887 1 18 . 1 1 671 671 ARG N N 671 122.062 122.062 121.831 0.231 18694 8888 1 18 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.027 0.320 18694 8889 1 18 . 1 1 671 671 ARG C C 671 175.272 175.272 174.436 0.836 18694 8890 1 18 . 1 1 671 671 ARG CA C 671 56.121 56.121 57.014 -0.893 18694 8891 1 18 . 1 1 671 671 ARG CB C 671 30.507 30.507 28.633 1.875 18694 8892 1 18 . 1 1 671 671 ARG H H 671 7.740 7.740 7.768 -0.028 18694 8893 1 19 . 1 1 587 587 VAL N N 587 119.752 119.752 119.283 0.469 18694 8894 1 19 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.440 -0.342 18694 8895 1 19 . 1 1 587 587 VAL C C 587 176.340 176.340 176.138 0.202 18694 8896 1 19 . 1 1 587 587 VAL CA C 587 62.229 62.229 60.807 1.422 18694 8897 1 19 . 1 1 587 587 VAL CB C 587 32.782 32.782 34.760 -1.978 18694 8898 1 19 . 1 1 587 587 VAL H H 587 8.027 8.027 8.093 -0.066 18694 8899 1 19 . 1 1 588 588 ARG N N 588 125.669 125.669 120.228 5.441 18694 8900 1 19 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.143 0.179 18694 8901 1 19 . 1 1 588 588 ARG C C 588 176.109 176.109 175.936 0.173 18694 8902 1 19 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.039 0.127 18694 8903 1 19 . 1 1 588 588 ARG CB C 588 30.651 30.651 29.500 1.151 18694 8904 1 19 . 1 1 588 588 ARG H H 588 8.528 8.528 8.497 0.031 18694 8905 1 19 . 1 1 589 589 LYS N N 589 121.018 121.018 121.073 -0.055 18694 8906 1 19 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.834 0.352 18694 8907 1 19 . 1 1 589 589 LYS C C 589 177.598 177.598 175.515 2.083 18694 8908 1 19 . 1 1 589 589 LYS CA C 589 54.923 54.923 56.595 -1.672 18694 8909 1 19 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.273 0.317 18694 8910 1 19 . 1 1 589 589 LYS H H 589 8.116 8.116 7.622 0.494 18694 8911 1 19 . 1 1 590 590 GLY N N 590 112.531 112.531 113.389 -0.858 18694 8912 1 19 . 1 1 590 590 GLY C C 590 176.465 176.465 173.828 2.637 18694 8913 1 19 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.573 2.623 18694 8914 1 19 . 1 1 590 590 GLY H H 590 8.669 8.669 7.842 0.827 18694 8915 1 19 . 1 1 591 591 TRP N N 591 119.435 119.435 123.021 -3.586 18694 8916 1 19 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.295 0.210 18694 8917 1 19 . 1 1 591 591 TRP C C 591 178.177 178.177 175.959 2.218 18694 8918 1 19 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.707 0.421 18694 8919 1 19 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.480 -0.726 18694 8920 1 19 . 1 1 591 591 TRP H H 591 8.026 8.026 7.196 0.830 18694 8921 1 19 . 1 1 592 592 HIS N N 592 119.340 119.340 117.670 1.670 18694 8922 1 19 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.773 -1.272 18694 8923 1 19 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.075 -0.797 18694 8924 1 19 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.060 -1.576 18694 8925 1 19 . 1 1 592 592 HIS H H 592 7.165 7.165 8.639 -1.474 18694 8926 1 19 . 1 1 593 593 GLU N N 593 116.536 116.536 120.231 -3.695 18694 8927 1 19 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.151 -0.171 18694 8928 1 19 . 1 1 593 593 GLU C C 593 176.675 176.675 177.029 -0.354 18694 8929 1 19 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.766 -0.658 18694 8930 1 19 . 1 1 593 593 GLU CB C 593 29.180 29.180 29.091 0.089 18694 8931 1 19 . 1 1 593 593 GLU H H 593 7.726 7.726 8.681 -0.955 18694 8932 1 19 . 1 1 594 594 HIS N N 594 112.885 112.885 114.488 -1.603 18694 8933 1 19 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.653 0.297 18694 8934 1 19 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.210 -0.946 18694 8935 1 19 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.242 -0.060 18694 8936 1 19 . 1 1 594 594 HIS H H 594 7.530 7.530 8.405 -0.875 18694 8937 1 19 . 1 1 595 595 VAL N N 595 120.678 120.678 119.571 1.107 18694 8938 1 19 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.437 0.063 18694 8939 1 19 . 1 1 595 595 VAL C C 595 174.593 174.593 175.055 -0.462 18694 8940 1 19 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.989 1.054 18694 8941 1 19 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.929 -1.567 18694 8942 1 19 . 1 1 595 595 VAL H H 595 7.492 7.492 7.684 -0.192 18694 8943 1 19 . 1 1 596 596 THR N N 596 115.525 115.525 119.387 -3.862 18694 8944 1 19 . 1 1 596 596 THR HA H 596 4.494 4.494 4.636 -0.142 18694 8945 1 19 . 1 1 596 596 THR C C 596 175.419 175.419 175.587 -0.168 18694 8946 1 19 . 1 1 596 596 THR CA C 596 60.001 60.001 60.481 -0.480 18694 8947 1 19 . 1 1 596 596 THR CB C 596 71.072 71.072 71.274 -0.202 18694 8948 1 19 . 1 1 596 596 THR H H 596 7.583 7.583 8.356 -0.773 18694 8949 1 19 . 1 1 597 597 GLN N N 597 120.346 120.346 123.667 -3.321 18694 8950 1 19 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.080 -0.262 18694 8951 1 19 . 1 1 597 597 GLN C C 597 178.079 178.079 177.682 0.397 18694 8952 1 19 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.175 -0.421 18694 8953 1 19 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.588 -0.576 18694 8954 1 19 . 1 1 597 597 GLN H H 597 8.929 8.929 8.902 0.027 18694 8955 1 19 . 1 1 598 598 ASP N N 598 117.842 117.842 120.188 -2.346 18694 8956 1 19 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.350 -0.010 18694 8957 1 19 . 1 1 598 598 ASP C C 598 178.494 178.494 178.596 -0.102 18694 8958 1 19 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.455 -0.562 18694 8959 1 19 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.597 -0.063 18694 8960 1 19 . 1 1 598 598 ASP H H 598 8.382 8.382 7.807 0.575 18694 8961 1 19 . 1 1 599 599 LEU N N 599 123.174 123.174 119.630 3.544 18694 8962 1 19 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.022 0.221 18694 8963 1 19 . 1 1 599 599 LEU C C 599 179.129 179.129 178.335 0.794 18694 8964 1 19 . 1 1 599 599 LEU CA C 599 58.443 58.443 58.130 0.313 18694 8965 1 19 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.882 -0.248 18694 8966 1 19 . 1 1 599 599 LEU H H 599 7.671 7.671 8.097 -0.426 18694 8967 1 19 . 1 1 600 600 ARG N N 600 118.132 118.132 117.634 0.498 18694 8968 1 19 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.094 0.228 18694 8969 1 19 . 1 1 600 600 ARG C C 600 179.103 179.103 178.988 0.115 18694 8970 1 19 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.587 0.809 18694 8971 1 19 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.187 0.333 18694 8972 1 19 . 1 1 600 600 ARG H H 600 7.768 7.768 7.553 0.215 18694 8973 1 19 . 1 1 601 601 SER N N 601 112.865 112.865 114.682 -1.817 18694 8974 1 19 . 1 1 601 601 SER HA H 601 4.134 4.134 4.167 -0.033 18694 8975 1 19 . 1 1 601 601 SER C C 601 177.665 177.665 176.480 1.185 18694 8976 1 19 . 1 1 601 601 SER CA C 601 61.534 61.534 61.543 -0.009 18694 8977 1 19 . 1 1 601 601 SER CB C 601 62.758 62.758 63.086 -0.328 18694 8978 1 19 . 1 1 601 601 SER H H 601 8.501 8.501 8.164 0.337 18694 8979 1 19 . 1 1 602 602 HIS N N 602 121.543 121.543 122.952 -1.409 18694 8980 1 19 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.185 0.308 18694 8981 1 19 . 1 1 602 602 HIS CA C 602 58.909 58.909 59.887 -0.978 18694 8982 1 19 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.187 -2.098 18694 8983 1 19 . 1 1 602 602 HIS H H 602 8.098 8.098 8.214 -0.116 18694 8984 1 19 . 1 1 603 603 LEU N N 603 122.394 122.394 118.641 3.753 18694 8985 1 19 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.896 0.132 18694 8986 1 19 . 1 1 603 603 LEU C C 603 179.275 179.275 179.030 0.245 18694 8987 1 19 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.798 0.299 18694 8988 1 19 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.740 -1.518 18694 8989 1 19 . 1 1 603 603 LEU H H 603 8.293 8.293 7.583 0.710 18694 8990 1 19 . 1 1 604 604 VAL N N 604 120.325 120.325 119.860 0.465 18694 8991 1 19 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.556 -0.128 18694 8992 1 19 . 1 1 604 604 VAL C C 604 178.026 178.026 177.987 0.039 18694 8993 1 19 . 1 1 604 604 VAL CA C 604 67.892 67.892 67.177 0.715 18694 8994 1 19 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.276 0.327 18694 8995 1 19 . 1 1 604 604 VAL H H 604 8.409 8.409 7.620 0.789 18694 8996 1 19 . 1 1 605 605 HIS N N 605 116.275 116.275 118.196 -1.921 18694 8997 1 19 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.165 0.087 18694 8998 1 19 . 1 1 605 605 HIS CA C 605 59.091 59.091 59.777 -0.686 18694 8999 1 19 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.505 -1.625 18694 9000 1 19 . 1 1 605 605 HIS H H 605 7.908 7.908 8.108 -0.200 18694 9001 1 19 . 1 1 606 606 LYS N N 606 119.506 119.506 120.771 -1.265 18694 9002 1 19 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.986 0.287 18694 9003 1 19 . 1 1 606 606 LYS C C 606 178.947 178.947 178.729 0.218 18694 9004 1 19 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.678 -0.874 18694 9005 1 19 . 1 1 606 606 LYS H H 606 8.092 8.092 7.679 0.413 18694 9006 1 19 . 1 1 607 607 LEU N N 607 121.321 121.321 120.924 0.397 18694 9007 1 19 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.945 0.013 18694 9008 1 19 . 1 1 607 607 LEU C C 607 177.899 177.899 178.668 -0.769 18694 9009 1 19 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.916 0.910 18694 9010 1 19 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.099 0.424 18694 9011 1 19 . 1 1 607 607 LEU H H 607 7.994 7.994 7.981 0.013 18694 9012 1 19 . 1 1 608 608 VAL N N 608 118.191 118.191 118.558 -0.367 18694 9013 1 19 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.527 -0.180 18694 9014 1 19 . 1 1 608 608 VAL C C 608 177.033 177.033 177.948 -0.915 18694 9015 1 19 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.531 1.413 18694 9016 1 19 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.496 0.156 18694 9017 1 19 . 1 1 608 608 VAL H H 608 8.036 8.036 8.021 0.015 18694 9018 1 19 . 1 1 609 609 GLN N N 609 116.772 116.772 120.157 -3.385 18694 9019 1 19 . 1 1 609 609 GLN HA H 609 3.888 3.888 3.967 -0.079 18694 9020 1 19 . 1 1 609 609 GLN C C 609 176.992 176.992 177.557 -0.565 18694 9021 1 19 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.788 -0.680 18694 9022 1 19 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.644 0.509 18694 9023 1 19 . 1 1 609 609 GLN H H 609 8.108 8.108 8.220 -0.113 18694 9024 1 19 . 1 1 610 610 ALA N N 610 119.316 119.316 120.188 -0.872 18694 9025 1 19 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.169 -0.136 18694 9026 1 19 . 1 1 610 610 ALA C C 610 178.498 178.498 178.824 -0.326 18694 9027 1 19 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.531 -0.753 18694 9028 1 19 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.713 0.679 18694 9029 1 19 . 1 1 610 610 ALA H H 610 7.756 7.756 7.832 -0.076 18694 9030 1 19 . 1 1 611 611 ILE N N 611 115.839 115.839 115.633 0.206 18694 9031 1 19 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.075 -0.400 18694 9032 1 19 . 1 1 611 611 ILE C C 611 174.299 174.299 176.604 -2.305 18694 9033 1 19 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.377 0.348 18694 9034 1 19 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.123 0.183 18694 9035 1 19 . 1 1 611 611 ILE H H 611 7.498 7.498 7.416 0.082 18694 9036 1 19 . 1 1 612 612 PHE N N 612 116.531 116.531 119.997 -3.466 18694 9037 1 19 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.005 0.091 18694 9038 1 19 . 1 1 612 612 PHE C C 612 171.610 171.610 173.431 -1.821 18694 9039 1 19 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.628 -2.912 18694 9040 1 19 . 1 1 612 612 PHE CB C 612 39.682 39.682 40.772 -1.090 18694 9041 1 19 . 1 1 612 612 PHE H H 612 8.235 8.235 7.977 0.258 18694 9042 1 19 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.471 0.102 18694 9043 1 19 . 1 1 613 613 PRO C C 613 178.269 178.269 176.386 1.883 18694 9044 1 19 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.692 1.086 18694 9045 1 19 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.549 0.895 18694 9046 1 19 . 1 1 614 614 THR N N 614 109.561 109.561 112.660 -3.099 18694 9047 1 19 . 1 1 614 614 THR HA H 614 4.470 4.470 4.402 0.068 18694 9048 1 19 . 1 1 614 614 THR C C 614 172.048 172.048 172.341 -0.293 18694 9049 1 19 . 1 1 614 614 THR CA C 614 58.106 58.106 58.451 -0.345 18694 9050 1 19 . 1 1 614 614 THR CB C 614 69.549 69.549 68.547 1.002 18694 9051 1 19 . 1 1 614 614 THR H H 614 8.025 8.025 7.327 0.698 18694 9052 1 19 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.451 -0.461 18694 9053 1 19 . 1 1 615 615 PRO C C 615 176.462 176.462 175.911 0.551 18694 9054 1 19 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.186 0.506 18694 9055 1 19 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.652 0.650 18694 9056 1 19 . 1 1 616 616 ASP N N 616 122.743 122.743 123.799 -1.056 18694 9057 1 19 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.637 0.116 18694 9058 1 19 . 1 1 616 616 ASP C C 616 174.226 174.226 176.877 -2.651 18694 9059 1 19 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.908 -0.050 18694 9060 1 19 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.806 -2.876 18694 9061 1 19 . 1 1 616 616 ASP H H 616 8.145 8.145 7.698 0.447 18694 9062 1 19 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.204 -0.094 18694 9063 1 19 . 1 1 617 617 PRO C C 617 178.885 178.885 177.467 1.418 18694 9064 1 19 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.997 1.018 18694 9065 1 19 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.928 0.006 18694 9066 1 19 . 1 1 618 618 ALA N N 618 118.548 118.548 120.460 -1.912 18694 9067 1 19 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.253 -0.170 18694 9068 1 19 . 1 1 618 618 ALA C C 618 180.518 180.518 179.889 0.629 18694 9069 1 19 . 1 1 618 618 ALA CA C 618 54.722 54.722 54.473 0.249 18694 9070 1 19 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.217 -0.026 18694 9071 1 19 . 1 1 618 618 ALA H H 618 8.093 8.093 8.050 0.043 18694 9072 1 19 . 1 1 619 619 ALA N N 619 122.623 122.623 122.476 0.147 18694 9073 1 19 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.124 0.201 18694 9074 1 19 . 1 1 619 619 ALA C C 619 179.318 179.318 179.994 -0.676 18694 9075 1 19 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.693 -0.008 18694 9076 1 19 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.385 0.270 18694 9077 1 19 . 1 1 619 619 ALA H H 619 8.039 8.039 7.933 0.106 18694 9078 1 19 . 1 1 620 620 LEU N N 620 114.041 114.041 116.737 -2.696 18694 9079 1 19 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.229 -0.182 18694 9080 1 19 . 1 1 620 620 LEU C C 620 178.288 178.288 177.784 0.504 18694 9081 1 19 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.032 0.107 18694 9082 1 19 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.497 0.650 18694 9083 1 19 . 1 1 620 620 LEU H H 620 7.606 7.606 8.065 -0.459 18694 9084 1 19 . 1 1 621 621 LYS N N 621 115.255 115.255 116.321 -1.066 18694 9085 1 19 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.384 -0.047 18694 9086 1 19 . 1 1 621 621 LYS C C 621 175.867 175.867 175.708 0.159 18694 9087 1 19 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.441 0.012 18694 9088 1 19 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.813 0.068 18694 9089 1 19 . 1 1 621 621 LYS H H 621 7.272 7.272 7.495 -0.223 18694 9090 1 19 . 1 1 622 622 ASP N N 622 123.382 123.382 121.139 2.243 18694 9091 1 19 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.640 -0.147 18694 9092 1 19 . 1 1 622 622 ASP C C 622 178.117 178.117 176.725 1.392 18694 9093 1 19 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.711 0.173 18694 9094 1 19 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.579 1.408 18694 9095 1 19 . 1 1 622 622 ASP H H 622 7.454 7.454 7.762 -0.308 18694 9096 1 19 . 1 1 623 623 ARG N N 623 130.356 130.356 126.230 4.126 18694 9097 1 19 . 1 1 623 623 ARG HA H 623 4.087 4.087 3.991 0.096 18694 9098 1 19 . 1 1 623 623 ARG C C 623 178.321 178.321 178.384 -0.063 18694 9099 1 19 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.000 0.789 18694 9100 1 19 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.782 -0.271 18694 9101 1 19 . 1 1 623 623 ARG H H 623 9.107 9.107 8.874 0.233 18694 9102 1 19 . 1 1 624 624 ARG N N 624 119.125 119.125 119.332 -0.207 18694 9103 1 19 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.053 -0.219 18694 9104 1 19 . 1 1 624 624 ARG C C 624 178.521 178.521 178.299 0.222 18694 9105 1 19 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.992 -0.313 18694 9106 1 19 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.925 -1.826 18694 9107 1 19 . 1 1 624 624 ARG H H 624 9.582 9.582 8.289 1.293 18694 9108 1 19 . 1 1 625 625 MET N N 625 120.202 120.202 118.617 1.585 18694 9109 1 19 . 1 1 625 625 MET HA H 625 4.527 4.527 4.144 0.383 18694 9110 1 19 . 1 1 625 625 MET C C 625 178.749 178.749 177.547 1.202 18694 9111 1 19 . 1 1 625 625 MET CA C 625 56.796 56.796 59.127 -2.331 18694 9112 1 19 . 1 1 625 625 MET CB C 625 30.890 30.890 32.224 -1.334 18694 9113 1 19 . 1 1 625 625 MET H H 625 7.953 7.953 7.809 0.144 18694 9114 1 19 . 1 1 626 626 GLU N N 626 117.897 117.897 118.660 -0.763 18694 9115 1 19 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.976 0.084 18694 9116 1 19 . 1 1 626 626 GLU C C 626 179.640 179.640 178.765 0.875 18694 9117 1 19 . 1 1 626 626 GLU CA C 626 58.980 58.980 60.081 -1.101 18694 9118 1 19 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.677 -0.145 18694 9119 1 19 . 1 1 626 626 GLU H H 626 7.431 7.431 7.917 -0.486 18694 9120 1 19 . 1 1 627 627 ASN N N 627 117.950 117.950 117.153 0.797 18694 9121 1 19 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.455 0.034 18694 9122 1 19 . 1 1 627 627 ASN C C 627 177.540 177.540 177.863 -0.323 18694 9123 1 19 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.892 -0.094 18694 9124 1 19 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.040 -0.536 18694 9125 1 19 . 1 1 627 627 ASN H H 627 7.442 7.442 7.640 -0.198 18694 9126 1 19 . 1 1 628 628 LEU N N 628 124.396 124.396 120.745 3.651 18694 9127 1 19 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.258 -0.069 18694 9128 1 19 . 1 1 628 628 LEU C C 628 177.838 177.838 178.163 -0.325 18694 9129 1 19 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.074 1.268 18694 9130 1 19 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.693 0.008 18694 9131 1 19 . 1 1 628 628 LEU H H 628 7.873 7.873 7.290 0.583 18694 9132 1 19 . 1 1 629 629 VAL N N 629 120.503 120.503 120.373 0.130 18694 9133 1 19 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.568 -0.085 18694 9134 1 19 . 1 1 629 629 VAL C C 629 177.552 177.552 178.228 -0.676 18694 9135 1 19 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.240 0.985 18694 9136 1 19 . 1 1 629 629 VAL CB C 629 31.687 31.687 30.608 1.079 18694 9137 1 19 . 1 1 629 629 VAL H H 629 8.246 8.246 8.130 0.116 18694 9138 1 19 . 1 1 630 630 ALA N N 630 120.687 120.687 123.281 -2.594 18694 9139 1 19 . 1 1 630 630 ALA HA H 630 4.032 4.032 4.001 0.031 18694 9140 1 19 . 1 1 630 630 ALA C C 630 180.849 180.849 179.061 1.788 18694 9141 1 19 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.364 0.050 18694 9142 1 19 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.404 -0.312 18694 9143 1 19 . 1 1 630 630 ALA H H 630 8.159 8.159 8.714 -0.555 18694 9144 1 19 . 1 1 631 631 TYR N N 631 121.083 121.083 120.603 0.480 18694 9145 1 19 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.021 0.218 18694 9146 1 19 . 1 1 631 631 TYR C C 631 177.591 177.591 177.319 0.272 18694 9147 1 19 . 1 1 631 631 TYR CA C 631 61.311 61.311 61.028 0.283 18694 9148 1 19 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.179 0.040 18694 9149 1 19 . 1 1 631 631 TYR H H 631 8.102 8.102 8.384 -0.282 18694 9150 1 19 . 1 1 632 632 ALA N N 632 122.444 122.444 121.186 1.258 18694 9151 1 19 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.787 -0.105 18694 9152 1 19 . 1 1 632 632 ALA C C 632 179.014 179.014 179.585 -0.571 18694 9153 1 19 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.255 0.087 18694 9154 1 19 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.175 1.649 18694 9155 1 19 . 1 1 632 632 ALA H H 632 8.292 8.292 8.159 0.134 18694 9156 1 19 . 1 1 633 633 LYS N N 633 115.912 115.912 119.014 -3.102 18694 9157 1 19 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.930 0.080 18694 9158 1 19 . 1 1 633 633 LYS C C 633 180.004 180.004 179.025 0.979 18694 9159 1 19 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.735 0.969 18694 9160 1 19 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.848 0.819 18694 9161 1 19 . 1 1 633 633 LYS H H 633 8.548 8.548 7.943 0.605 18694 9162 1 19 . 1 1 634 634 LYS N N 634 123.870 123.870 120.158 3.712 18694 9163 1 19 . 1 1 634 634 LYS HA H 634 4.012 4.012 4.002 0.010 18694 9164 1 19 . 1 1 634 634 LYS C C 634 178.603 178.603 178.710 -0.107 18694 9165 1 19 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.869 0.233 18694 9166 1 19 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.703 0.086 18694 9167 1 19 . 1 1 634 634 LYS H H 634 7.943 7.943 8.323 -0.380 18694 9168 1 19 . 1 1 635 635 VAL N N 635 119.215 119.215 119.098 0.117 18694 9169 1 19 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.500 0.176 18694 9170 1 19 . 1 1 635 635 VAL C C 635 178.574 178.574 177.984 0.590 18694 9171 1 19 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.659 -0.560 18694 9172 1 19 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.098 0.513 18694 9173 1 19 . 1 1 635 635 VAL H H 635 8.165 8.165 8.059 0.106 18694 9174 1 19 . 1 1 636 636 GLU N N 636 120.094 120.094 119.958 0.136 18694 9175 1 19 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.097 -0.235 18694 9176 1 19 . 1 1 636 636 GLU C C 636 178.666 178.666 179.384 -0.718 18694 9177 1 19 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.458 2.231 18694 9178 1 19 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.576 0.143 18694 9179 1 19 . 1 1 636 636 GLU H H 636 8.331 8.331 8.597 -0.266 18694 9180 1 19 . 1 1 637 637 GLY N N 637 106.839 106.839 108.353 -1.514 18694 9181 1 19 . 1 1 637 637 GLY C C 637 176.614 176.614 176.103 0.511 18694 9182 1 19 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.763 0.574 18694 9183 1 19 . 1 1 637 637 GLY H H 637 8.145 8.145 8.461 -0.316 18694 9184 1 19 . 1 1 638 638 ASP N N 638 122.731 122.731 122.775 -0.044 18694 9185 1 19 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.412 0.131 18694 9186 1 19 . 1 1 638 638 ASP C C 638 180.109 180.109 179.175 0.934 18694 9187 1 19 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.943 -0.049 18694 9188 1 19 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.205 -1.117 18694 9189 1 19 . 1 1 638 638 ASP H H 638 8.338 8.338 8.325 0.013 18694 9190 1 19 . 1 1 639 639 MET N N 639 121.055 121.055 119.300 1.755 18694 9191 1 19 . 1 1 639 639 MET HA H 639 4.389 4.389 4.147 0.242 18694 9192 1 19 . 1 1 639 639 MET C C 639 177.737 177.737 178.345 -0.608 18694 9193 1 19 . 1 1 639 639 MET CA C 639 58.675 58.675 57.810 0.865 18694 9194 1 19 . 1 1 639 639 MET CB C 639 32.530 32.530 31.530 1.000 18694 9195 1 19 . 1 1 639 639 MET H H 639 8.193 8.193 8.764 -0.571 18694 9196 1 19 . 1 1 640 640 TYR N N 640 121.235 121.235 119.406 1.829 18694 9197 1 19 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.762 0.536 18694 9198 1 19 . 1 1 640 640 TYR C C 640 178.311 178.311 177.765 0.546 18694 9199 1 19 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.655 0.252 18694 9200 1 19 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.837 1.113 18694 9201 1 19 . 1 1 640 640 TYR H H 640 9.328 9.328 8.193 1.135 18694 9202 1 19 . 1 1 641 641 GLU N N 641 115.098 115.098 117.680 -2.582 18694 9203 1 19 . 1 1 641 641 GLU HA H 641 4.366 4.366 4.023 0.343 18694 9204 1 19 . 1 1 641 641 GLU C C 641 178.006 178.006 178.253 -0.247 18694 9205 1 19 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.837 -1.391 18694 9206 1 19 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.274 0.428 18694 9207 1 19 . 1 1 641 641 GLU H H 641 8.079 8.079 7.699 0.380 18694 9208 1 19 . 1 1 642 642 SER N N 642 112.869 112.869 115.032 -2.163 18694 9209 1 19 . 1 1 642 642 SER HA H 642 4.394 4.394 4.227 0.167 18694 9210 1 19 . 1 1 642 642 SER C C 642 175.251 175.251 176.534 -1.283 18694 9211 1 19 . 1 1 642 642 SER CA C 642 60.175 60.175 60.679 -0.505 18694 9212 1 19 . 1 1 642 642 SER CB C 642 64.388 64.388 63.092 1.296 18694 9213 1 19 . 1 1 642 642 SER H H 642 7.968 7.968 7.507 0.461 18694 9214 1 19 . 1 1 643 643 ALA N N 643 123.763 123.763 123.836 -0.073 18694 9215 1 19 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.068 0.159 18694 9216 1 19 . 1 1 643 643 ALA C C 643 177.897 177.897 176.179 1.718 18694 9217 1 19 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.711 -0.112 18694 9218 1 19 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.588 3.104 18694 9219 1 19 . 1 1 643 643 ALA H H 643 8.096 8.096 8.209 -0.113 18694 9220 1 19 . 1 1 644 644 ASN N N 644 117.176 117.176 116.209 0.967 18694 9221 1 19 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.525 0.585 18694 9222 1 19 . 1 1 644 644 ASN C C 644 173.978 173.978 174.706 -0.728 18694 9223 1 19 . 1 1 644 644 ASN CA C 644 53.354 53.354 54.104 -0.750 18694 9224 1 19 . 1 1 644 644 ASN CB C 644 40.219 40.219 38.952 1.267 18694 9225 1 19 . 1 1 644 644 ASN H H 644 9.102 9.102 8.253 0.849 18694 9226 1 19 . 1 1 645 645 SER N N 645 111.225 111.225 111.491 -0.266 18694 9227 1 19 . 1 1 645 645 SER HA H 645 3.632 3.632 4.909 -1.277 18694 9228 1 19 . 1 1 645 645 SER C C 645 171.965 171.965 174.700 -2.735 18694 9229 1 19 . 1 1 645 645 SER CA C 645 56.522 56.522 57.402 -0.880 18694 9230 1 19 . 1 1 645 645 SER CB C 645 64.968 64.968 66.465 -1.497 18694 9231 1 19 . 1 1 645 645 SER H H 645 6.865 6.865 7.499 -0.634 18694 9232 1 19 . 1 1 646 646 ARG N N 646 121.944 121.944 123.469 -1.525 18694 9233 1 19 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.149 -0.963 18694 9234 1 19 . 1 1 646 646 ARG C C 646 177.709 177.709 178.558 -0.849 18694 9235 1 19 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.856 -0.825 18694 9236 1 19 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.719 0.534 18694 9237 1 19 . 1 1 646 646 ARG H H 646 8.685 8.685 9.075 -0.390 18694 9238 1 19 . 1 1 647 647 ASP N N 647 116.817 116.817 117.736 -0.919 18694 9239 1 19 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.503 -0.208 18694 9240 1 19 . 1 1 647 647 ASP C C 647 178.860 178.860 178.382 0.478 18694 9241 1 19 . 1 1 647 647 ASP CA C 647 57.125 57.125 58.085 -0.960 18694 9242 1 19 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.662 -0.373 18694 9243 1 19 . 1 1 647 647 ASP H H 647 8.119 8.119 8.728 -0.609 18694 9244 1 19 . 1 1 648 648 GLU N N 648 121.231 121.231 120.328 0.903 18694 9245 1 19 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.034 -0.044 18694 9246 1 19 . 1 1 648 648 GLU C C 648 177.064 177.064 178.595 -1.531 18694 9247 1 19 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.475 -0.213 18694 9248 1 19 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.644 0.494 18694 9249 1 19 . 1 1 648 648 GLU H H 648 7.799 7.799 8.058 -0.259 18694 9250 1 19 . 1 1 649 649 TYR N N 649 122.045 122.045 121.020 1.025 18694 9251 1 19 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.179 -0.180 18694 9252 1 19 . 1 1 649 649 TYR C C 649 176.140 176.140 177.944 -1.804 18694 9253 1 19 . 1 1 649 649 TYR CA C 649 60.669 60.669 59.942 0.727 18694 9254 1 19 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.271 0.686 18694 9255 1 19 . 1 1 649 649 TYR H H 649 7.338 7.338 8.200 -0.862 18694 9256 1 19 . 1 1 650 650 TYR N N 650 115.581 115.581 116.705 -1.124 18694 9257 1 19 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.980 0.019 18694 9258 1 19 . 1 1 650 650 TYR C C 650 179.058 179.058 178.601 0.457 18694 9259 1 19 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.799 -2.306 18694 9260 1 19 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.056 -0.414 18694 9261 1 19 . 1 1 650 650 TYR H H 650 8.072 8.072 8.059 0.013 18694 9262 1 19 . 1 1 651 651 HIS N N 651 118.435 118.435 119.165 -0.730 18694 9263 1 19 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.326 -0.013 18694 9264 1 19 . 1 1 651 651 HIS CA C 651 59.303 59.303 61.022 -1.718 18694 9265 1 19 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.189 -1.933 18694 9266 1 19 . 1 1 651 651 HIS H H 651 8.311 8.311 8.069 0.242 18694 9267 1 19 . 1 1 652 652 LEU N N 652 121.135 121.135 120.175 0.960 18694 9268 1 19 . 1 1 652 652 LEU HA H 652 3.993 3.993 4.046 -0.053 18694 9269 1 19 . 1 1 652 652 LEU C C 652 180.822 180.822 179.087 1.735 18694 9270 1 19 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.374 -0.481 18694 9271 1 19 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.907 0.130 18694 9272 1 19 . 1 1 652 652 LEU H H 652 9.141 9.141 8.315 0.826 18694 9273 1 19 . 1 1 653 653 LEU N N 653 120.947 120.947 119.203 1.744 18694 9274 1 19 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.892 -0.059 18694 9275 1 19 . 1 1 653 653 LEU C C 653 178.085 178.085 178.936 -0.851 18694 9276 1 19 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.136 0.202 18694 9277 1 19 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.344 0.541 18694 9278 1 19 . 1 1 653 653 LEU H H 653 7.769 7.769 7.490 0.279 18694 9279 1 19 . 1 1 654 654 ALA N N 654 120.863 120.863 121.330 -0.467 18694 9280 1 19 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.913 -0.029 18694 9281 1 19 . 1 1 654 654 ALA C C 654 180.274 180.274 179.462 0.812 18694 9282 1 19 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.258 0.097 18694 9283 1 19 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.855 0.335 18694 9284 1 19 . 1 1 654 654 ALA H H 654 8.111 8.111 8.276 -0.165 18694 9285 1 19 . 1 1 655 655 GLU N N 655 118.047 118.047 118.952 -0.905 18694 9286 1 19 . 1 1 655 655 GLU HA H 655 4.018 4.018 4.046 -0.028 18694 9287 1 19 . 1 1 655 655 GLU C C 655 178.311 178.311 178.709 -0.398 18694 9288 1 19 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.619 -0.540 18694 9289 1 19 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.589 -0.175 18694 9290 1 19 . 1 1 655 655 GLU H H 655 8.363 8.363 8.559 -0.196 18694 9291 1 19 . 1 1 656 656 LYS N N 656 120.122 120.122 120.011 0.111 18694 9292 1 19 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.114 -0.064 18694 9293 1 19 . 1 1 656 656 LYS C C 656 178.388 178.388 179.070 -0.682 18694 9294 1 19 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.540 -1.411 18694 9295 1 19 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.373 -0.963 18694 9296 1 19 . 1 1 656 656 LYS H H 656 7.852 7.852 7.827 0.025 18694 9297 1 19 . 1 1 657 657 ILE N N 657 118.294 118.294 120.090 -1.796 18694 9298 1 19 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.702 -0.311 18694 9299 1 19 . 1 1 657 657 ILE C C 657 177.061 177.061 178.040 -0.979 18694 9300 1 19 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.752 0.774 18694 9301 1 19 . 1 1 657 657 ILE CB C 657 37.900 37.900 38.007 -0.107 18694 9302 1 19 . 1 1 657 657 ILE H H 657 8.199 8.199 8.121 0.078 18694 9303 1 19 . 1 1 658 658 TYR N N 658 119.430 119.430 121.044 -1.614 18694 9304 1 19 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.246 0.057 18694 9305 1 19 . 1 1 658 658 TYR C C 658 177.869 177.869 177.778 0.091 18694 9306 1 19 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.242 0.627 18694 9307 1 19 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.148 0.057 18694 9308 1 19 . 1 1 658 658 TYR H H 658 8.066 8.066 8.512 -0.446 18694 9309 1 19 . 1 1 659 659 LYS N N 659 118.321 118.321 120.356 -2.035 18694 9310 1 19 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.951 -0.137 18694 9311 1 19 . 1 1 659 659 LYS C C 659 180.019 180.019 178.946 1.073 18694 9312 1 19 . 1 1 659 659 LYS CA C 659 59.860 59.860 59.282 0.578 18694 9313 1 19 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.782 0.910 18694 9314 1 19 . 1 1 659 659 LYS H H 659 8.309 8.309 8.277 0.032 18694 9315 1 19 . 1 1 660 660 ILE N N 660 121.103 121.103 119.871 1.232 18694 9316 1 19 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.569 0.017 18694 9317 1 19 . 1 1 660 660 ILE C C 660 177.404 177.404 178.122 -0.718 18694 9318 1 19 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.345 0.731 18694 9319 1 19 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.809 0.575 18694 9320 1 19 . 1 1 660 660 ILE H H 660 8.546 8.546 8.356 0.190 18694 9321 1 19 . 1 1 661 661 GLN N N 661 118.093 118.093 118.749 -0.656 18694 9322 1 19 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.869 0.062 18694 9323 1 19 . 1 1 661 661 GLN C C 661 179.682 179.682 178.388 1.294 18694 9324 1 19 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.182 0.686 18694 9325 1 19 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.424 -0.363 18694 9326 1 19 . 1 1 661 661 GLN H H 661 8.554 8.554 8.594 -0.040 18694 9327 1 19 . 1 1 662 662 LYS N N 662 119.532 119.532 120.431 -0.899 18694 9328 1 19 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.872 0.089 18694 9329 1 19 . 1 1 662 662 LYS C C 662 178.745 178.745 179.024 -0.279 18694 9330 1 19 . 1 1 662 662 LYS CA C 662 58.521 58.521 58.929 -0.408 18694 9331 1 19 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.851 -0.229 18694 9332 1 19 . 1 1 662 662 LYS H H 662 8.110 8.110 8.063 0.047 18694 9333 1 19 . 1 1 663 663 GLU N N 663 121.313 121.313 119.589 1.724 18694 9334 1 19 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.057 -0.036 18694 9335 1 19 . 1 1 663 663 GLU C C 663 179.429 179.429 179.265 0.164 18694 9336 1 19 . 1 1 663 663 GLU CA C 663 59.493 59.493 58.977 0.516 18694 9337 1 19 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.242 -0.078 18694 9338 1 19 . 1 1 663 663 GLU H H 663 8.011 8.011 7.837 0.174 18694 9339 1 19 . 1 1 664 664 LEU N N 664 119.460 119.460 120.010 -0.550 18694 9340 1 19 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.951 -0.033 18694 9341 1 19 . 1 1 664 664 LEU C C 664 178.785 178.785 179.341 -0.556 18694 9342 1 19 . 1 1 664 664 LEU CA C 664 58.174 58.174 57.945 0.229 18694 9343 1 19 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.616 0.289 18694 9344 1 19 . 1 1 664 664 LEU H H 664 8.342 8.342 8.543 -0.201 18694 9345 1 19 . 1 1 665 665 GLU N N 665 118.822 118.822 119.061 -0.239 18694 9346 1 19 . 1 1 665 665 GLU HA H 665 3.973 3.973 4.008 -0.035 18694 9347 1 19 . 1 1 665 665 GLU C C 665 179.161 179.161 178.900 0.261 18694 9348 1 19 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.037 -0.222 18694 9349 1 19 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.320 -0.187 18694 9350 1 19 . 1 1 665 665 GLU H H 665 8.018 8.018 8.154 -0.136 18694 9351 1 19 . 1 1 666 666 GLU N N 666 118.722 118.722 119.382 -0.660 18694 9352 1 19 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.019 -0.047 18694 9353 1 19 . 1 1 666 666 GLU C C 666 179.536 179.536 178.897 0.639 18694 9354 1 19 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.133 -0.223 18694 9355 1 19 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.504 -0.623 18694 9356 1 19 . 1 1 666 666 GLU H H 666 8.014 8.014 8.224 -0.210 18694 9357 1 19 . 1 1 667 667 LYS N N 667 119.177 119.177 118.218 0.959 18694 9358 1 19 . 1 1 667 667 LYS HA H 667 4.141 4.141 3.976 0.165 18694 9359 1 19 . 1 1 667 667 LYS C C 667 179.425 179.425 178.954 0.471 18694 9360 1 19 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.366 -1.983 18694 9361 1 19 . 1 1 667 667 LYS CB C 667 32.005 32.005 31.990 0.015 18694 9362 1 19 . 1 1 667 667 LYS H H 667 8.056 8.056 8.365 -0.309 18694 9363 1 19 . 1 1 668 668 ARG N N 668 119.491 119.491 118.286 1.205 18694 9364 1 19 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.111 -0.152 18694 9365 1 19 . 1 1 668 668 ARG C C 668 178.260 178.260 178.067 0.193 18694 9366 1 19 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.499 0.465 18694 9367 1 19 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.770 0.441 18694 9368 1 19 . 1 1 668 668 ARG H H 668 8.218 8.218 7.774 0.444 18694 9369 1 19 . 1 1 669 669 ARG N N 669 117.972 117.972 117.495 0.477 18694 9370 1 19 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.202 -0.032 18694 9371 1 19 . 1 1 669 669 ARG C C 669 177.325 177.325 177.350 -0.025 18694 9372 1 19 . 1 1 669 669 ARG CA C 669 57.551 57.551 57.594 -0.043 18694 9373 1 19 . 1 1 669 669 ARG CB C 669 30.109 30.109 29.917 0.192 18694 9374 1 19 . 1 1 669 669 ARG H H 669 7.793 7.793 7.473 0.320 18694 9375 1 19 . 1 1 670 670 SER N N 670 114.336 114.336 112.494 1.842 18694 9376 1 19 . 1 1 670 670 SER HA H 670 4.410 4.410 4.430 -0.020 18694 9377 1 19 . 1 1 670 670 SER C C 670 174.266 174.266 174.809 -0.543 18694 9378 1 19 . 1 1 670 670 SER CA C 670 58.946 58.946 57.937 1.009 18694 9379 1 19 . 1 1 670 670 SER CB C 670 63.814 63.814 63.770 0.043 18694 9380 1 19 . 1 1 670 670 SER H H 670 7.794 7.794 7.358 0.436 18694 9381 1 19 . 1 1 671 671 ARG N N 671 122.062 122.062 123.443 -1.381 18694 9382 1 19 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.223 0.124 18694 9383 1 19 . 1 1 671 671 ARG C C 671 175.272 175.272 174.777 0.495 18694 9384 1 19 . 1 1 671 671 ARG CA C 671 56.121 56.121 57.096 -0.976 18694 9385 1 19 . 1 1 671 671 ARG CB C 671 30.507 30.507 30.643 -0.136 18694 9386 1 19 . 1 1 671 671 ARG H H 671 7.740 7.740 7.496 0.244 18694 9387 1 20 . 1 1 587 587 VAL N N 587 119.752 119.752 117.237 2.515 18694 9388 1 20 . 1 1 587 587 VAL HA H 587 4.098 4.098 3.815 0.283 18694 9389 1 20 . 1 1 587 587 VAL C C 587 176.340 176.340 174.751 1.589 18694 9390 1 20 . 1 1 587 587 VAL CA C 587 62.229 62.229 63.529 -1.300 18694 9391 1 20 . 1 1 587 587 VAL CB C 587 32.782 32.782 31.885 0.897 18694 9392 1 20 . 1 1 587 587 VAL H H 587 8.027 8.027 8.219 -0.192 18694 9393 1 20 . 1 1 588 588 ARG N N 588 125.669 125.669 120.085 5.584 18694 9394 1 20 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.400 -0.078 18694 9395 1 20 . 1 1 588 588 ARG C C 588 176.109 176.109 175.428 0.681 18694 9396 1 20 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.352 -0.185 18694 9397 1 20 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.613 0.038 18694 9398 1 20 . 1 1 588 588 ARG H H 588 8.528 8.528 8.275 0.253 18694 9399 1 20 . 1 1 589 589 LYS N N 589 121.018 121.018 122.576 -1.558 18694 9400 1 20 . 1 1 589 589 LYS HA H 589 4.186 4.186 4.119 0.067 18694 9401 1 20 . 1 1 589 589 LYS C C 589 177.598 177.598 174.740 2.858 18694 9402 1 20 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.812 -0.889 18694 9403 1 20 . 1 1 589 589 LYS CB C 589 32.589 32.589 31.417 1.172 18694 9404 1 20 . 1 1 589 589 LYS H H 589 8.116 8.116 7.758 0.358 18694 9405 1 20 . 1 1 590 590 GLY N N 590 112.531 112.531 113.909 -1.378 18694 9406 1 20 . 1 1 590 590 GLY C C 590 176.465 176.465 173.480 2.985 18694 9407 1 20 . 1 1 590 590 GLY CA C 590 47.196 47.196 45.048 2.148 18694 9408 1 20 . 1 1 590 590 GLY H H 590 8.669 8.669 8.073 0.596 18694 9409 1 20 . 1 1 591 591 TRP N N 591 119.435 119.435 119.488 -0.053 18694 9410 1 20 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.541 -0.036 18694 9411 1 20 . 1 1 591 591 TRP C C 591 178.177 178.177 176.235 1.942 18694 9412 1 20 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.659 0.469 18694 9413 1 20 . 1 1 591 591 TRP CB C 591 27.754 27.754 29.272 -1.518 18694 9414 1 20 . 1 1 591 591 TRP H H 591 8.026 8.026 6.950 1.076 18694 9415 1 20 . 1 1 592 592 HIS N N 592 119.340 119.340 117.013 2.327 18694 9416 1 20 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.513 -1.012 18694 9417 1 20 . 1 1 592 592 HIS CA C 592 56.278 56.278 56.472 -0.194 18694 9418 1 20 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.244 -1.760 18694 9419 1 20 . 1 1 592 592 HIS H H 592 7.165 7.165 8.592 -1.427 18694 9420 1 20 . 1 1 593 593 GLU N N 593 116.536 116.536 119.414 -2.878 18694 9421 1 20 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.024 -0.044 18694 9422 1 20 . 1 1 593 593 GLU C C 593 176.675 176.675 176.713 -0.038 18694 9423 1 20 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.235 -0.127 18694 9424 1 20 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.265 0.915 18694 9425 1 20 . 1 1 593 593 GLU H H 593 7.726 7.726 8.344 -0.618 18694 9426 1 20 . 1 1 594 594 HIS N N 594 112.885 112.885 114.407 -1.522 18694 9427 1 20 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.732 0.218 18694 9428 1 20 . 1 1 594 594 HIS CA C 594 54.264 54.264 54.667 -0.403 18694 9429 1 20 . 1 1 594 594 HIS CB C 594 29.182 29.182 28.099 1.083 18694 9430 1 20 . 1 1 594 594 HIS H H 594 7.530 7.530 8.037 -0.507 18694 9431 1 20 . 1 1 595 595 VAL N N 595 120.678 120.678 119.412 1.266 18694 9432 1 20 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.367 0.133 18694 9433 1 20 . 1 1 595 595 VAL C C 595 174.593 174.593 174.575 0.018 18694 9434 1 20 . 1 1 595 595 VAL CA C 595 62.043 62.043 60.964 1.079 18694 9435 1 20 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.478 -1.117 18694 9436 1 20 . 1 1 595 595 VAL H H 595 7.492 7.492 7.427 0.065 18694 9437 1 20 . 1 1 596 596 THR N N 596 115.525 115.525 117.722 -2.197 18694 9438 1 20 . 1 1 596 596 THR HA H 596 4.494 4.494 4.522 -0.028 18694 9439 1 20 . 1 1 596 596 THR C C 596 175.419 175.419 175.681 -0.262 18694 9440 1 20 . 1 1 596 596 THR CA C 596 60.001 60.001 61.014 -1.013 18694 9441 1 20 . 1 1 596 596 THR CB C 596 71.072 71.072 71.099 -0.027 18694 9442 1 20 . 1 1 596 596 THR H H 596 7.583 7.583 8.347 -0.764 18694 9443 1 20 . 1 1 597 597 GLN N N 597 120.346 120.346 125.007 -4.661 18694 9444 1 20 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.080 -0.262 18694 9445 1 20 . 1 1 597 597 GLN C C 597 178.079 178.079 177.478 0.601 18694 9446 1 20 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.175 -0.421 18694 9447 1 20 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.602 -0.590 18694 9448 1 20 . 1 1 597 597 GLN H H 597 8.929 8.929 8.894 0.035 18694 9449 1 20 . 1 1 598 598 ASP N N 598 117.842 117.842 120.243 -2.401 18694 9450 1 20 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.392 -0.052 18694 9451 1 20 . 1 1 598 598 ASP C C 598 178.494 178.494 178.778 -0.284 18694 9452 1 20 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.648 -0.755 18694 9453 1 20 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.705 -0.171 18694 9454 1 20 . 1 1 598 598 ASP H H 598 8.382 8.382 7.849 0.533 18694 9455 1 20 . 1 1 599 599 LEU N N 599 123.174 123.174 120.049 3.125 18694 9456 1 20 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.073 0.170 18694 9457 1 20 . 1 1 599 599 LEU C C 599 179.129 179.129 178.530 0.599 18694 9458 1 20 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.797 0.646 18694 9459 1 20 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.826 -0.192 18694 9460 1 20 . 1 1 599 599 LEU H H 599 7.671 7.671 7.993 -0.322 18694 9461 1 20 . 1 1 600 600 ARG N N 600 118.132 118.132 118.246 -0.114 18694 9462 1 20 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.089 0.233 18694 9463 1 20 . 1 1 600 600 ARG C C 600 179.103 179.103 179.049 0.054 18694 9464 1 20 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.498 0.898 18694 9465 1 20 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.227 0.293 18694 9466 1 20 . 1 1 600 600 ARG H H 600 7.768 7.768 7.589 0.179 18694 9467 1 20 . 1 1 601 601 SER N N 601 112.865 112.865 115.206 -2.341 18694 9468 1 20 . 1 1 601 601 SER HA H 601 4.134 4.134 4.172 -0.038 18694 9469 1 20 . 1 1 601 601 SER C C 601 177.665 177.665 176.918 0.747 18694 9470 1 20 . 1 1 601 601 SER CA C 601 61.534 61.534 61.967 -0.433 18694 9471 1 20 . 1 1 601 601 SER CB C 601 62.758 62.758 62.999 -0.241 18694 9472 1 20 . 1 1 601 601 SER H H 601 8.501 8.501 8.559 -0.058 18694 9473 1 20 . 1 1 602 602 HIS N N 602 121.543 121.543 122.343 -0.800 18694 9474 1 20 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.359 0.134 18694 9475 1 20 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.277 -1.368 18694 9476 1 20 . 1 1 602 602 HIS CB C 602 28.089 28.089 29.930 -1.841 18694 9477 1 20 . 1 1 602 602 HIS H H 602 8.098 8.098 8.048 0.050 18694 9478 1 20 . 1 1 603 603 LEU N N 603 122.394 122.394 119.592 2.802 18694 9479 1 20 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.962 0.066 18694 9480 1 20 . 1 1 603 603 LEU C C 603 179.275 179.275 178.747 0.528 18694 9481 1 20 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.963 0.134 18694 9482 1 20 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.487 -1.265 18694 9483 1 20 . 1 1 603 603 LEU H H 603 8.293 8.293 7.647 0.646 18694 9484 1 20 . 1 1 604 604 VAL N N 604 120.325 120.325 119.599 0.726 18694 9485 1 20 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.547 -0.119 18694 9486 1 20 . 1 1 604 604 VAL C C 604 178.026 178.026 178.363 -0.337 18694 9487 1 20 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.356 1.536 18694 9488 1 20 . 1 1 604 604 VAL CB C 604 31.603 31.603 30.732 0.871 18694 9489 1 20 . 1 1 604 604 VAL H H 604 8.409 8.409 7.553 0.856 18694 9490 1 20 . 1 1 605 605 HIS N N 605 116.275 116.275 118.475 -2.200 18694 9491 1 20 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.233 0.019 18694 9492 1 20 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.406 -1.315 18694 9493 1 20 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.507 -1.627 18694 9494 1 20 . 1 1 605 605 HIS H H 605 7.908 7.908 7.756 0.152 18694 9495 1 20 . 1 1 606 606 LYS N N 606 119.506 119.506 120.245 -0.739 18694 9496 1 20 . 1 1 606 606 LYS HA H 606 4.273 4.273 4.047 0.226 18694 9497 1 20 . 1 1 606 606 LYS C C 606 178.947 178.947 178.994 -0.047 18694 9498 1 20 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.723 -0.919 18694 9499 1 20 . 1 1 606 606 LYS H H 606 8.092 8.092 7.828 0.264 18694 9500 1 20 . 1 1 607 607 LEU N N 607 121.321 121.321 121.186 0.135 18694 9501 1 20 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.987 -0.029 18694 9502 1 20 . 1 1 607 607 LEU C C 607 177.899 177.899 178.423 -0.524 18694 9503 1 20 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.910 0.916 18694 9504 1 20 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.044 0.479 18694 9505 1 20 . 1 1 607 607 LEU H H 607 7.994 7.994 7.797 0.197 18694 9506 1 20 . 1 1 608 608 VAL N N 608 118.191 118.191 119.226 -1.035 18694 9507 1 20 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.604 -0.257 18694 9508 1 20 . 1 1 608 608 VAL C C 608 177.033 177.033 178.190 -1.157 18694 9509 1 20 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.441 1.502 18694 9510 1 20 . 1 1 608 608 VAL CB C 608 31.652 31.652 30.921 0.731 18694 9511 1 20 . 1 1 608 608 VAL H H 608 8.036 8.036 8.083 -0.047 18694 9512 1 20 . 1 1 609 609 GLN N N 609 116.772 116.772 119.851 -3.079 18694 9513 1 20 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.210 -0.322 18694 9514 1 20 . 1 1 609 609 GLN C C 609 176.992 176.992 177.445 -0.453 18694 9515 1 20 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.553 -0.445 18694 9516 1 20 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.802 0.351 18694 9517 1 20 . 1 1 609 609 GLN H H 609 8.108 8.108 8.525 -0.417 18694 9518 1 20 . 1 1 610 610 ALA N N 610 119.316 119.316 120.544 -1.228 18694 9519 1 20 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.208 -0.175 18694 9520 1 20 . 1 1 610 610 ALA C C 610 178.498 178.498 178.730 -0.232 18694 9521 1 20 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.486 -0.708 18694 9522 1 20 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.770 0.622 18694 9523 1 20 . 1 1 610 610 ALA H H 610 7.756 7.756 7.781 -0.025 18694 9524 1 20 . 1 1 611 611 ILE N N 611 115.839 115.839 115.941 -0.102 18694 9525 1 20 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.087 -0.412 18694 9526 1 20 . 1 1 611 611 ILE C C 611 174.299 174.299 176.614 -2.315 18694 9527 1 20 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.383 0.342 18694 9528 1 20 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.116 0.190 18694 9529 1 20 . 1 1 611 611 ILE H H 611 7.498 7.498 7.324 0.174 18694 9530 1 20 . 1 1 612 612 PHE N N 612 116.531 116.531 119.449 -2.918 18694 9531 1 20 . 1 1 612 612 PHE HA H 612 5.096 5.096 5.002 0.094 18694 9532 1 20 . 1 1 612 612 PHE C C 612 171.610 171.610 173.503 -1.893 18694 9533 1 20 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.996 -3.280 18694 9534 1 20 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.418 -1.736 18694 9535 1 20 . 1 1 612 612 PHE H H 612 8.235 8.235 8.089 0.146 18694 9536 1 20 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.417 0.156 18694 9537 1 20 . 1 1 613 613 PRO C C 613 178.269 178.269 176.301 1.968 18694 9538 1 20 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.843 0.935 18694 9539 1 20 . 1 1 613 613 PRO CB C 613 32.444 32.444 32.061 0.383 18694 9540 1 20 . 1 1 614 614 THR N N 614 109.561 109.561 113.588 -4.027 18694 9541 1 20 . 1 1 614 614 THR HA H 614 4.470 4.470 4.488 -0.018 18694 9542 1 20 . 1 1 614 614 THR C C 614 172.048 172.048 172.781 -0.733 18694 9543 1 20 . 1 1 614 614 THR CA C 614 58.106 58.106 58.725 -0.619 18694 9544 1 20 . 1 1 614 614 THR CB C 614 69.549 69.549 68.508 1.041 18694 9545 1 20 . 1 1 614 614 THR H H 614 8.025 8.025 7.351 0.674 18694 9546 1 20 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.554 -0.564 18694 9547 1 20 . 1 1 615 615 PRO C C 615 176.462 176.462 175.995 0.467 18694 9548 1 20 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.390 0.302 18694 9549 1 20 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.876 0.426 18694 9550 1 20 . 1 1 616 616 ASP N N 616 122.743 122.743 124.323 -1.580 18694 9551 1 20 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.711 0.042 18694 9552 1 20 . 1 1 616 616 ASP C C 616 174.226 174.226 176.854 -2.628 18694 9553 1 20 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.776 0.082 18694 9554 1 20 . 1 1 616 616 ASP CB C 616 39.930 39.930 43.251 -3.321 18694 9555 1 20 . 1 1 616 616 ASP H H 616 8.145 8.145 7.820 0.325 18694 9556 1 20 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.283 -0.173 18694 9557 1 20 . 1 1 617 617 PRO C C 617 178.885 178.885 176.796 2.089 18694 9558 1 20 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.768 1.247 18694 9559 1 20 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.932 0.002 18694 9560 1 20 . 1 1 618 618 ALA N N 618 118.548 118.548 119.353 -0.805 18694 9561 1 20 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.381 -0.298 18694 9562 1 20 . 1 1 618 618 ALA C C 618 180.518 180.518 179.722 0.796 18694 9563 1 20 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.326 1.396 18694 9564 1 20 . 1 1 618 618 ALA CB C 618 18.191 18.191 19.271 -1.081 18694 9565 1 20 . 1 1 618 618 ALA H H 618 8.093 8.093 8.342 -0.249 18694 9566 1 20 . 1 1 619 619 ALA N N 619 122.623 122.623 122.978 -0.355 18694 9567 1 20 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.102 0.223 18694 9568 1 20 . 1 1 619 619 ALA C C 619 179.318 179.318 179.889 -0.571 18694 9569 1 20 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.740 -0.055 18694 9570 1 20 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.405 0.250 18694 9571 1 20 . 1 1 619 619 ALA H H 619 8.039 8.039 8.213 -0.174 18694 9572 1 20 . 1 1 620 620 LEU N N 620 114.041 114.041 117.070 -3.029 18694 9573 1 20 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.210 -0.163 18694 9574 1 20 . 1 1 620 620 LEU C C 620 178.288 178.288 177.595 0.693 18694 9575 1 20 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.205 -0.066 18694 9576 1 20 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.517 0.630 18694 9577 1 20 . 1 1 620 620 LEU H H 620 7.606 7.606 8.162 -0.556 18694 9578 1 20 . 1 1 621 621 LYS N N 621 115.255 115.255 115.937 -0.682 18694 9579 1 20 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.314 0.023 18694 9580 1 20 . 1 1 621 621 LYS C C 621 175.867 175.867 175.580 0.287 18694 9581 1 20 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.598 -0.145 18694 9582 1 20 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.799 0.082 18694 9583 1 20 . 1 1 621 621 LYS H H 621 7.272 7.272 7.451 -0.179 18694 9584 1 20 . 1 1 622 622 ASP N N 622 123.382 123.382 120.307 3.075 18694 9585 1 20 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.676 -0.183 18694 9586 1 20 . 1 1 622 622 ASP C C 622 178.117 178.117 177.029 1.088 18694 9587 1 20 . 1 1 622 622 ASP CA C 622 53.884 53.884 52.950 0.934 18694 9588 1 20 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.654 1.333 18694 9589 1 20 . 1 1 622 622 ASP H H 622 7.454 7.454 7.649 -0.195 18694 9590 1 20 . 1 1 623 623 ARG N N 623 130.356 130.356 126.557 3.799 18694 9591 1 20 . 1 1 623 623 ARG HA H 623 4.087 4.087 3.944 0.143 18694 9592 1 20 . 1 1 623 623 ARG C C 623 178.321 178.321 177.931 0.390 18694 9593 1 20 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.858 -0.069 18694 9594 1 20 . 1 1 623 623 ARG CB C 623 29.511 29.511 30.072 -0.561 18694 9595 1 20 . 1 1 623 623 ARG H H 623 9.107 9.107 8.839 0.268 18694 9596 1 20 . 1 1 624 624 ARG N N 624 119.125 119.125 119.492 -0.367 18694 9597 1 20 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.044 -0.210 18694 9598 1 20 . 1 1 624 624 ARG C C 624 178.521 178.521 178.457 0.064 18694 9599 1 20 . 1 1 624 624 ARG CA C 624 58.679 58.679 58.768 -0.089 18694 9600 1 20 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.701 -1.602 18694 9601 1 20 . 1 1 624 624 ARG H H 624 9.582 9.582 7.876 1.706 18694 9602 1 20 . 1 1 625 625 MET N N 625 120.202 120.202 118.837 1.365 18694 9603 1 20 . 1 1 625 625 MET HA H 625 4.527 4.527 4.052 0.475 18694 9604 1 20 . 1 1 625 625 MET C C 625 178.749 178.749 177.818 0.931 18694 9605 1 20 . 1 1 625 625 MET CA C 625 56.796 56.796 58.591 -1.795 18694 9606 1 20 . 1 1 625 625 MET CB C 625 30.890 30.890 32.382 -1.492 18694 9607 1 20 . 1 1 625 625 MET H H 625 7.953 7.953 8.422 -0.469 18694 9608 1 20 . 1 1 626 626 GLU N N 626 117.897 117.897 120.053 -2.156 18694 9609 1 20 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.881 0.179 18694 9610 1 20 . 1 1 626 626 GLU C C 626 179.640 179.640 178.679 0.961 18694 9611 1 20 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.529 -0.549 18694 9612 1 20 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.968 -0.436 18694 9613 1 20 . 1 1 626 626 GLU H H 626 7.431 7.431 7.915 -0.484 18694 9614 1 20 . 1 1 627 627 ASN N N 627 117.950 117.950 117.334 0.616 18694 9615 1 20 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.423 0.066 18694 9616 1 20 . 1 1 627 627 ASN C C 627 177.540 177.540 177.851 -0.311 18694 9617 1 20 . 1 1 627 627 ASN CA C 627 55.798 55.798 55.988 -0.190 18694 9618 1 20 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.561 -1.057 18694 9619 1 20 . 1 1 627 627 ASN H H 627 7.442 7.442 7.809 -0.367 18694 9620 1 20 . 1 1 628 628 LEU N N 628 124.396 124.396 119.709 4.687 18694 9621 1 20 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.244 -0.055 18694 9622 1 20 . 1 1 628 628 LEU C C 628 177.838 177.838 178.333 -0.495 18694 9623 1 20 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.052 1.290 18694 9624 1 20 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.473 0.228 18694 9625 1 20 . 1 1 628 628 LEU H H 628 7.873 7.873 7.475 0.398 18694 9626 1 20 . 1 1 629 629 VAL N N 629 120.503 120.503 120.516 -0.013 18694 9627 1 20 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.554 -0.071 18694 9628 1 20 . 1 1 629 629 VAL C C 629 177.552 177.552 177.941 -0.389 18694 9629 1 20 . 1 1 629 629 VAL CA C 629 67.225 67.225 67.019 0.206 18694 9630 1 20 . 1 1 629 629 VAL CB C 629 31.687 31.687 30.998 0.689 18694 9631 1 20 . 1 1 629 629 VAL H H 629 8.246 8.246 7.879 0.367 18694 9632 1 20 . 1 1 630 630 ALA N N 630 120.687 120.687 123.207 -2.520 18694 9633 1 20 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.964 0.068 18694 9634 1 20 . 1 1 630 630 ALA C C 630 180.849 180.849 179.111 1.738 18694 9635 1 20 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.343 0.071 18694 9636 1 20 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.359 -0.267 18694 9637 1 20 . 1 1 630 630 ALA H H 630 8.159 8.159 8.531 -0.372 18694 9638 1 20 . 1 1 631 631 TYR N N 631 121.083 121.083 120.233 0.850 18694 9639 1 20 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.071 0.168 18694 9640 1 20 . 1 1 631 631 TYR C C 631 177.591 177.591 177.191 0.400 18694 9641 1 20 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.459 0.852 18694 9642 1 20 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.170 0.049 18694 9643 1 20 . 1 1 631 631 TYR H H 631 8.102 8.102 7.902 0.200 18694 9644 1 20 . 1 1 632 632 ALA N N 632 122.444 122.444 121.499 0.945 18694 9645 1 20 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.774 -0.092 18694 9646 1 20 . 1 1 632 632 ALA C C 632 179.014 179.014 179.617 -0.603 18694 9647 1 20 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.186 0.156 18694 9648 1 20 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.064 1.760 18694 9649 1 20 . 1 1 632 632 ALA H H 632 8.292 8.292 7.773 0.519 18694 9650 1 20 . 1 1 633 633 LYS N N 633 115.912 115.912 118.483 -2.571 18694 9651 1 20 . 1 1 633 633 LYS HA H 633 4.010 4.010 3.986 0.024 18694 9652 1 20 . 1 1 633 633 LYS C C 633 180.004 180.004 179.108 0.896 18694 9653 1 20 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.313 1.391 18694 9654 1 20 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.796 0.871 18694 9655 1 20 . 1 1 633 633 LYS H H 633 8.548 8.548 8.055 0.493 18694 9656 1 20 . 1 1 634 634 LYS N N 634 123.870 123.870 119.958 3.912 18694 9657 1 20 . 1 1 634 634 LYS HA H 634 4.012 4.012 4.016 -0.004 18694 9658 1 20 . 1 1 634 634 LYS C C 634 178.603 178.603 178.754 -0.151 18694 9659 1 20 . 1 1 634 634 LYS CA C 634 59.102 59.102 58.715 0.387 18694 9660 1 20 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.768 0.021 18694 9661 1 20 . 1 1 634 634 LYS H H 634 7.943 7.943 8.076 -0.133 18694 9662 1 20 . 1 1 635 635 VAL N N 635 119.215 119.215 118.879 0.336 18694 9663 1 20 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.480 0.196 18694 9664 1 20 . 1 1 635 635 VAL C C 635 178.574 178.574 177.310 1.264 18694 9665 1 20 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.805 -0.705 18694 9666 1 20 . 1 1 635 635 VAL CB C 635 31.611 31.611 30.710 0.901 18694 9667 1 20 . 1 1 635 635 VAL H H 635 8.165 8.165 8.170 -0.005 18694 9668 1 20 . 1 1 636 636 GLU N N 636 120.094 120.094 120.404 -0.310 18694 9669 1 20 . 1 1 636 636 GLU HA H 636 3.862 3.862 3.960 -0.098 18694 9670 1 20 . 1 1 636 636 GLU C C 636 178.666 178.666 179.178 -0.512 18694 9671 1 20 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.719 1.970 18694 9672 1 20 . 1 1 636 636 GLU CB C 636 28.719 28.719 29.133 -0.414 18694 9673 1 20 . 1 1 636 636 GLU H H 636 8.331 8.331 7.890 0.441 18694 9674 1 20 . 1 1 637 637 GLY N N 637 106.839 106.839 107.728 -0.889 18694 9675 1 20 . 1 1 637 637 GLY C C 637 176.614 176.614 176.049 0.565 18694 9676 1 20 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.951 0.386 18694 9677 1 20 . 1 1 637 637 GLY H H 637 8.145 8.145 8.028 0.117 18694 9678 1 20 . 1 1 638 638 ASP N N 638 122.731 122.731 123.302 -0.571 18694 9679 1 20 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.423 0.120 18694 9680 1 20 . 1 1 638 638 ASP C C 638 180.109 180.109 178.644 1.465 18694 9681 1 20 . 1 1 638 638 ASP CA C 638 56.894 56.894 57.078 -0.184 18694 9682 1 20 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.164 -1.076 18694 9683 1 20 . 1 1 638 638 ASP H H 638 8.338 8.338 8.397 -0.059 18694 9684 1 20 . 1 1 639 639 MET N N 639 121.055 121.055 118.445 2.610 18694 9685 1 20 . 1 1 639 639 MET HA H 639 4.389 4.389 4.235 0.154 18694 9686 1 20 . 1 1 639 639 MET C C 639 177.737 177.737 178.410 -0.673 18694 9687 1 20 . 1 1 639 639 MET CA C 639 58.675 58.675 57.098 1.577 18694 9688 1 20 . 1 1 639 639 MET CB C 639 32.530 32.530 31.459 1.071 18694 9689 1 20 . 1 1 639 639 MET H H 639 8.193 8.193 8.634 -0.441 18694 9690 1 20 . 1 1 640 640 TYR N N 640 121.235 121.235 120.497 0.738 18694 9691 1 20 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.750 0.548 18694 9692 1 20 . 1 1 640 640 TYR C C 640 178.311 178.311 177.303 1.008 18694 9693 1 20 . 1 1 640 640 TYR CA C 640 61.907 61.907 60.939 0.968 18694 9694 1 20 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.446 1.504 18694 9695 1 20 . 1 1 640 640 TYR H H 640 9.328 9.328 8.431 0.897 18694 9696 1 20 . 1 1 641 641 GLU N N 641 115.098 115.098 116.633 -1.535 18694 9697 1 20 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.845 0.521 18694 9698 1 20 . 1 1 641 641 GLU C C 641 178.006 178.006 178.707 -0.701 18694 9699 1 20 . 1 1 641 641 GLU CA C 641 57.446 57.446 59.047 -1.601 18694 9700 1 20 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.048 0.654 18694 9701 1 20 . 1 1 641 641 GLU H H 641 8.079 8.079 7.602 0.477 18694 9702 1 20 . 1 1 642 642 SER N N 642 112.869 112.869 115.099 -2.230 18694 9703 1 20 . 1 1 642 642 SER HA H 642 4.394 4.394 4.289 0.105 18694 9704 1 20 . 1 1 642 642 SER C C 642 175.251 175.251 176.464 -1.213 18694 9705 1 20 . 1 1 642 642 SER CA C 642 60.175 60.175 60.603 -0.429 18694 9706 1 20 . 1 1 642 642 SER CB C 642 64.388 64.388 63.192 1.196 18694 9707 1 20 . 1 1 642 642 SER H H 642 7.968 7.968 7.546 0.422 18694 9708 1 20 . 1 1 643 643 ALA N N 643 123.763 123.763 123.392 0.371 18694 9709 1 20 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.209 0.018 18694 9710 1 20 . 1 1 643 643 ALA C C 643 177.897 177.897 176.759 1.138 18694 9711 1 20 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.931 -0.332 18694 9712 1 20 . 1 1 643 643 ALA CB C 643 19.692 19.692 17.169 2.523 18694 9713 1 20 . 1 1 643 643 ALA H H 643 8.096 8.096 8.390 -0.294 18694 9714 1 20 . 1 1 644 644 ASN N N 644 117.176 117.176 117.011 0.165 18694 9715 1 20 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.484 0.626 18694 9716 1 20 . 1 1 644 644 ASN C C 644 173.978 173.978 174.691 -0.713 18694 9717 1 20 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.573 -0.219 18694 9718 1 20 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.215 1.004 18694 9719 1 20 . 1 1 644 644 ASN H H 644 9.102 9.102 8.188 0.914 18694 9720 1 20 . 1 1 645 645 SER N N 645 111.225 111.225 110.651 0.574 18694 9721 1 20 . 1 1 645 645 SER HA H 645 3.632 3.632 4.812 -1.180 18694 9722 1 20 . 1 1 645 645 SER C C 645 171.965 171.965 174.444 -2.479 18694 9723 1 20 . 1 1 645 645 SER CA C 645 56.522 56.522 57.469 -0.947 18694 9724 1 20 . 1 1 645 645 SER CB C 645 64.968 64.968 65.847 -0.879 18694 9725 1 20 . 1 1 645 645 SER H H 645 6.865 6.865 7.471 -0.606 18694 9726 1 20 . 1 1 646 646 ARG N N 646 121.944 121.944 124.575 -2.631 18694 9727 1 20 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.238 -1.052 18694 9728 1 20 . 1 1 646 646 ARG C C 646 177.709 177.709 178.355 -0.646 18694 9729 1 20 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.837 -0.807 18694 9730 1 20 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.950 0.303 18694 9731 1 20 . 1 1 646 646 ARG H H 646 8.685 8.685 9.086 -0.401 18694 9732 1 20 . 1 1 647 647 ASP N N 647 116.817 116.817 117.804 -0.987 18694 9733 1 20 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.520 -0.225 18694 9734 1 20 . 1 1 647 647 ASP C C 647 178.860 178.860 178.410 0.450 18694 9735 1 20 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.718 -0.593 18694 9736 1 20 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.567 -0.278 18694 9737 1 20 . 1 1 647 647 ASP H H 647 8.119 8.119 8.594 -0.475 18694 9738 1 20 . 1 1 648 648 GLU N N 648 121.231 121.231 120.740 0.491 18694 9739 1 20 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.103 -0.113 18694 9740 1 20 . 1 1 648 648 GLU C C 648 177.064 177.064 178.644 -1.580 18694 9741 1 20 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.520 -0.258 18694 9742 1 20 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.704 0.434 18694 9743 1 20 . 1 1 648 648 GLU H H 648 7.799 7.799 8.225 -0.426 18694 9744 1 20 . 1 1 649 649 TYR N N 649 122.045 122.045 121.088 0.957 18694 9745 1 20 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.203 -0.204 18694 9746 1 20 . 1 1 649 649 TYR C C 649 176.140 176.140 177.961 -1.821 18694 9747 1 20 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.219 0.450 18694 9748 1 20 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.364 0.594 18694 9749 1 20 . 1 1 649 649 TYR H H 649 7.338 7.338 8.238 -0.900 18694 9750 1 20 . 1 1 650 650 TYR N N 650 115.581 115.581 116.658 -1.077 18694 9751 1 20 . 1 1 650 650 TYR HA H 650 3.999 3.999 4.004 -0.005 18694 9752 1 20 . 1 1 650 650 TYR C C 650 179.058 179.058 178.285 0.773 18694 9753 1 20 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.655 -2.162 18694 9754 1 20 . 1 1 650 650 TYR CB C 650 37.642 37.642 38.140 -0.498 18694 9755 1 20 . 1 1 650 650 TYR H H 650 8.072 8.072 8.140 -0.068 18694 9756 1 20 . 1 1 651 651 HIS N N 651 118.435 118.435 119.707 -1.272 18694 9757 1 20 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.275 0.038 18694 9758 1 20 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.306 -1.004 18694 9759 1 20 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.357 -2.101 18694 9760 1 20 . 1 1 651 651 HIS H H 651 8.311 8.311 8.171 0.140 18694 9761 1 20 . 1 1 652 652 LEU N N 652 121.135 121.135 119.549 1.586 18694 9762 1 20 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.985 0.008 18694 9763 1 20 . 1 1 652 652 LEU C C 652 180.822 180.822 179.229 1.593 18694 9764 1 20 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.229 -0.336 18694 9765 1 20 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.991 0.046 18694 9766 1 20 . 1 1 652 652 LEU H H 652 9.141 9.141 8.284 0.857 18694 9767 1 20 . 1 1 653 653 LEU N N 653 120.947 120.947 119.019 1.928 18694 9768 1 20 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.858 -0.025 18694 9769 1 20 . 1 1 653 653 LEU C C 653 178.085 178.085 178.909 -0.824 18694 9770 1 20 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.037 0.301 18694 9771 1 20 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.332 0.554 18694 9772 1 20 . 1 1 653 653 LEU H H 653 7.769 7.769 7.412 0.357 18694 9773 1 20 . 1 1 654 654 ALA N N 654 120.863 120.863 120.970 -0.107 18694 9774 1 20 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.898 -0.014 18694 9775 1 20 . 1 1 654 654 ALA C C 654 180.274 180.274 179.428 0.846 18694 9776 1 20 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.193 0.163 18694 9777 1 20 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.901 0.289 18694 9778 1 20 . 1 1 654 654 ALA H H 654 8.111 8.111 8.138 -0.027 18694 9779 1 20 . 1 1 655 655 GLU N N 655 118.047 118.047 118.691 -0.644 18694 9780 1 20 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.900 0.118 18694 9781 1 20 . 1 1 655 655 GLU C C 655 178.311 178.311 178.720 -0.409 18694 9782 1 20 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.400 -0.321 18694 9783 1 20 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.341 0.073 18694 9784 1 20 . 1 1 655 655 GLU H H 655 8.363 8.363 8.178 0.185 18694 9785 1 20 . 1 1 656 656 LYS N N 656 120.122 120.122 119.392 0.730 18694 9786 1 20 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.064 -0.014 18694 9787 1 20 . 1 1 656 656 LYS C C 656 178.388 178.388 179.254 -0.866 18694 9788 1 20 . 1 1 656 656 LYS CA C 656 58.129 58.129 59.531 -1.402 18694 9789 1 20 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.416 -1.006 18694 9790 1 20 . 1 1 656 656 LYS H H 656 7.852 7.852 7.612 0.240 18694 9791 1 20 . 1 1 657 657 ILE N N 657 118.294 118.294 120.044 -1.750 18694 9792 1 20 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.698 -0.307 18694 9793 1 20 . 1 1 657 657 ILE C C 657 177.061 177.061 177.993 -0.932 18694 9794 1 20 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.538 0.988 18694 9795 1 20 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.937 -0.037 18694 9796 1 20 . 1 1 657 657 ILE H H 657 8.199 8.199 7.804 0.395 18694 9797 1 20 . 1 1 658 658 TYR N N 658 119.430 119.430 120.499 -1.069 18694 9798 1 20 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.084 0.219 18694 9799 1 20 . 1 1 658 658 TYR C C 658 177.869 177.869 177.469 0.400 18694 9800 1 20 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.520 0.348 18694 9801 1 20 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.096 0.109 18694 9802 1 20 . 1 1 658 658 TYR H H 658 8.066 8.066 7.935 0.131 18694 9803 1 20 . 1 1 659 659 LYS N N 659 118.321 118.321 119.452 -1.131 18694 9804 1 20 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.847 -0.033 18694 9805 1 20 . 1 1 659 659 LYS C C 659 180.019 180.019 179.247 0.772 18694 9806 1 20 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.870 0.991 18694 9807 1 20 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.747 0.944 18694 9808 1 20 . 1 1 659 659 LYS H H 659 8.309 8.309 8.291 0.018 18694 9809 1 20 . 1 1 660 660 ILE N N 660 121.103 121.103 120.546 0.557 18694 9810 1 20 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.632 -0.046 18694 9811 1 20 . 1 1 660 660 ILE C C 660 177.404 177.404 177.810 -0.406 18694 9812 1 20 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.189 0.887 18694 9813 1 20 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.890 0.494 18694 9814 1 20 . 1 1 660 660 ILE H H 660 8.546 8.546 8.556 -0.010 18694 9815 1 20 . 1 1 661 661 GLN N N 661 118.093 118.093 118.563 -0.470 18694 9816 1 20 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.916 0.015 18694 9817 1 20 . 1 1 661 661 GLN C C 661 179.682 179.682 178.228 1.454 18694 9818 1 20 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.245 0.623 18694 9819 1 20 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.498 -0.437 18694 9820 1 20 . 1 1 661 661 GLN H H 661 8.554 8.554 8.017 0.537 18694 9821 1 20 . 1 1 662 662 LYS N N 662 119.532 119.532 120.271 -0.739 18694 9822 1 20 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.829 0.132 18694 9823 1 20 . 1 1 662 662 LYS C C 662 178.745 178.745 178.741 0.004 18694 9824 1 20 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.731 -1.210 18694 9825 1 20 . 1 1 662 662 LYS CB C 662 31.622 31.622 32.088 -0.466 18694 9826 1 20 . 1 1 662 662 LYS H H 662 8.110 8.110 8.057 0.053 18694 9827 1 20 . 1 1 663 663 GLU N N 663 121.313 121.313 119.750 1.563 18694 9828 1 20 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.032 -0.011 18694 9829 1 20 . 1 1 663 663 GLU C C 663 179.429 179.429 179.155 0.274 18694 9830 1 20 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.015 0.478 18694 9831 1 20 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.251 -0.087 18694 9832 1 20 . 1 1 663 663 GLU H H 663 8.011 8.011 7.819 0.192 18694 9833 1 20 . 1 1 664 664 LEU N N 664 119.460 119.460 119.920 -0.460 18694 9834 1 20 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.955 -0.037 18694 9835 1 20 . 1 1 664 664 LEU C C 664 178.785 178.785 179.538 -0.753 18694 9836 1 20 . 1 1 664 664 LEU CA C 664 58.174 58.174 57.955 0.219 18694 9837 1 20 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.572 0.333 18694 9838 1 20 . 1 1 664 664 LEU H H 664 8.342 8.342 8.483 -0.141 18694 9839 1 20 . 1 1 665 665 GLU N N 665 118.822 118.822 118.534 0.288 18694 9840 1 20 . 1 1 665 665 GLU HA H 665 3.973 3.973 4.001 -0.028 18694 9841 1 20 . 1 1 665 665 GLU C C 665 179.161 179.161 179.141 0.020 18694 9842 1 20 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.367 -0.552 18694 9843 1 20 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.192 -0.059 18694 9844 1 20 . 1 1 665 665 GLU H H 665 8.018 8.018 8.140 -0.122 18694 9845 1 20 . 1 1 666 666 GLU N N 666 118.722 118.722 119.908 -1.186 18694 9846 1 20 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.020 -0.048 18694 9847 1 20 . 1 1 666 666 GLU C C 666 179.536 179.536 178.832 0.704 18694 9848 1 20 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.290 -0.380 18694 9849 1 20 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.366 -0.485 18694 9850 1 20 . 1 1 666 666 GLU H H 666 8.014 8.014 8.300 -0.286 18694 9851 1 20 . 1 1 667 667 LYS N N 667 119.177 119.177 118.747 0.430 18694 9852 1 20 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.058 0.083 18694 9853 1 20 . 1 1 667 667 LYS C C 667 179.425 179.425 178.571 0.854 18694 9854 1 20 . 1 1 667 667 LYS CA C 667 57.383 57.383 59.167 -1.784 18694 9855 1 20 . 1 1 667 667 LYS CB C 667 32.005 32.005 31.864 0.141 18694 9856 1 20 . 1 1 667 667 LYS H H 667 8.056 8.056 8.162 -0.106 18694 9857 1 20 . 1 1 668 668 ARG N N 668 119.491 119.491 118.810 0.681 18694 9858 1 20 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.123 -0.164 18694 9859 1 20 . 1 1 668 668 ARG C C 668 178.260 178.260 178.142 0.118 18694 9860 1 20 . 1 1 668 668 ARG CA C 668 58.964 58.964 58.272 0.692 18694 9861 1 20 . 1 1 668 668 ARG CB C 668 30.211 30.211 30.359 -0.148 18694 9862 1 20 . 1 1 668 668 ARG H H 668 8.218 8.218 7.586 0.632 18694 9863 1 20 . 1 1 669 669 ARG N N 669 117.972 117.972 118.317 -0.345 18694 9864 1 20 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.131 0.039 18694 9865 1 20 . 1 1 669 669 ARG C C 669 177.325 177.325 177.659 -0.334 18694 9866 1 20 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.054 -0.503 18694 9867 1 20 . 1 1 669 669 ARG CB C 669 30.109 30.109 29.636 0.473 18694 9868 1 20 . 1 1 669 669 ARG H H 669 7.793 7.793 8.235 -0.442 18694 9869 1 20 . 1 1 670 670 SER N N 670 114.336 114.336 111.502 2.834 18694 9870 1 20 . 1 1 670 670 SER HA H 670 4.410 4.410 4.441 -0.031 18694 9871 1 20 . 1 1 670 670 SER C C 670 174.266 174.266 173.668 0.598 18694 9872 1 20 . 1 1 670 670 SER CA C 670 58.946 58.946 57.440 1.506 18694 9873 1 20 . 1 1 670 670 SER CB C 670 63.814 63.814 63.558 0.256 18694 9874 1 20 . 1 1 670 670 SER H H 670 7.794 7.794 7.532 0.262 18694 9875 1 20 . 1 1 671 671 ARG N N 671 122.062 122.062 118.459 3.603 18694 9876 1 20 . 1 1 671 671 ARG HA H 671 4.347 4.347 3.963 0.384 18694 9877 1 20 . 1 1 671 671 ARG C C 671 175.272 175.272 174.785 0.487 18694 9878 1 20 . 1 1 671 671 ARG CA C 671 56.121 56.121 57.209 -1.089 18694 9879 1 20 . 1 1 671 671 ARG CB C 671 30.507 30.507 28.896 1.611 18694 9880 1 20 . 1 1 671 671 ARG H H 671 7.740 7.740 7.730 0.010 18694 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 82 2.120 0.381 2.099 18694 2 1 1 "Average Difference" HA 87 0.251 0.014 0.252 18694 3 1 1 "Average Difference" C 80 1.017 -0.079 1.021 18694 4 1 1 "Average Difference" CA 85 0.963 0.086 0.965 18694 5 1 1 "Average Difference" CB 82 0.907 0.046 0.911 18694 6 1 1 "Average Difference" HN 82 0.491 -0.056 0.491 18694 7 1 2 "Average Difference" N 82 2.031 0.342 2.014 18694 8 1 2 "Average Difference" HA 87 0.290 0.028 0.290 18694 9 1 2 "Average Difference" C 80 1.051 -0.058 1.056 18694 10 1 2 "Average Difference" CA 85 0.941 0.072 0.944 18694 11 1 2 "Average Difference" CB 82 0.955 0.041 0.960 18694 12 1 2 "Average Difference" HN 82 0.518 -0.060 0.517 18694 13 1 3 "Average Difference" N 82 2.006 0.179 2.010 18694 14 1 3 "Average Difference" HA 87 0.293 0.035 0.292 18694 15 1 3 "Average Difference" C 80 0.993 -0.114 0.992 18694 16 1 3 "Average Difference" CA 85 0.905 0.037 0.910 18694 17 1 3 "Average Difference" CB 82 1.017 0.029 1.023 18694 18 1 3 "Average Difference" HN 82 0.511 -0.071 0.509 18694 19 1 4 "Average Difference" N 82 1.971 0.294 1.961 18694 20 1 4 "Average Difference" HA 87 0.301 0.006 0.303 18694 21 1 4 "Average Difference" C 80 1.079 -0.094 1.081 18694 22 1 4 "Average Difference" CA 85 0.952 0.082 0.954 18694 23 1 4 "Average Difference" CB 82 0.980 0.020 0.986 18694 24 1 4 "Average Difference" HN 82 0.473 -0.081 0.469 18694 25 1 5 "Average Difference" N 82 2.006 0.104 2.016 18694 26 1 5 "Average Difference" HA 87 0.294 0.048 0.292 18694 27 1 5 "Average Difference" C 80 1.063 -0.131 1.062 18694 28 1 5 "Average Difference" CA 85 0.980 -0.024 0.986 18694 29 1 5 "Average Difference" CB 82 0.989 0.051 0.994 18694 30 1 5 "Average Difference" HN 82 0.523 -0.114 0.513 18694 31 1 6 "Average Difference" N 82 2.022 0.113 2.031 18694 32 1 6 "Average Difference" HA 87 0.299 0.024 0.300 18694 33 1 6 "Average Difference" C 80 1.063 -0.057 1.068 18694 34 1 6 "Average Difference" CA 85 0.959 0.027 0.964 18694 35 1 6 "Average Difference" CB 82 0.983 0.027 0.989 18694 36 1 6 "Average Difference" HN 82 0.485 -0.047 0.486 18694 37 1 7 "Average Difference" N 82 2.017 0.110 2.026 18694 38 1 7 "Average Difference" HA 87 0.285 0.029 0.285 18694 39 1 7 "Average Difference" C 80 1.016 -0.076 1.019 18694 40 1 7 "Average Difference" CA 85 0.943 0.031 0.948 18694 41 1 7 "Average Difference" CB 82 0.990 -0.005 0.996 18694 42 1 7 "Average Difference" HN 82 0.467 -0.114 0.456 18694 43 1 8 "Average Difference" N 82 1.948 0.267 1.941 18694 44 1 8 "Average Difference" HA 87 0.310 0.036 0.309 18694 45 1 8 "Average Difference" C 80 1.035 -0.109 1.036 18694 46 1 8 "Average Difference" CA 85 1.091 -0.043 1.096 18694 47 1 8 "Average Difference" CB 82 1.038 0.050 1.043 18694 48 1 8 "Average Difference" HN 82 0.524 -0.088 0.519 18694 49 1 9 "Average Difference" N 82 2.142 0.162 2.149 18694 50 1 9 "Average Difference" HA 87 0.303 0.008 0.305 18694 51 1 9 "Average Difference" C 80 1.019 -0.055 1.024 18694 52 1 9 "Average Difference" CA 85 0.939 0.042 0.944 18694 53 1 9 "Average Difference" CB 82 1.020 -0.002 1.026 18694 54 1 9 "Average Difference" HN 82 0.473 -0.040 0.474 18694 55 1 10 "Average Difference" N 82 2.100 0.210 2.102 18694 56 1 10 "Average Difference" HA 87 0.298 0.016 0.300 18694 57 1 10 "Average Difference" C 80 1.058 -0.103 1.059 18694 58 1 10 "Average Difference" CA 85 1.045 0.012 1.051 18694 59 1 10 "Average Difference" CB 82 0.979 0.049 0.984 18694 60 1 10 "Average Difference" HN 82 0.526 -0.111 0.518 18694 61 1 11 "Average Difference" N 82 2.246 0.240 2.247 18694 62 1 11 "Average Difference" HA 87 0.293 0.026 0.294 18694 63 1 11 "Average Difference" C 80 1.043 -0.080 1.047 18694 64 1 11 "Average Difference" CA 85 1.036 0.024 1.042 18694 65 1 11 "Average Difference" CB 82 0.953 0.027 0.958 18694 66 1 11 "Average Difference" HN 82 0.524 -0.074 0.522 18694 67 1 12 "Average Difference" N 82 2.136 0.218 2.138 18694 68 1 12 "Average Difference" HA 87 0.268 0.026 0.268 18694 69 1 12 "Average Difference" C 80 1.071 -0.100 1.073 18694 70 1 12 "Average Difference" CA 85 1.033 0.013 1.039 18694 71 1 12 "Average Difference" CB 82 0.975 0.075 0.978 18694 72 1 12 "Average Difference" HN 82 0.549 -0.102 0.543 18694 73 1 13 "Average Difference" N 82 2.071 0.180 2.076 18694 74 1 13 "Average Difference" HA 87 0.294 0.017 0.295 18694 75 1 13 "Average Difference" C 80 1.033 -0.021 1.039 18694 76 1 13 "Average Difference" CA 85 0.971 0.010 0.977 18694 77 1 13 "Average Difference" CB 82 0.955 -0.005 0.960 18694 78 1 13 "Average Difference" HN 82 0.509 -0.082 0.505 18694 79 1 14 "Average Difference" N 82 1.971 0.202 1.973 18694 80 1 14 "Average Difference" HA 87 0.308 0.036 0.308 18694 81 1 14 "Average Difference" C 80 1.115 -0.048 1.121 18694 82 1 14 "Average Difference" CA 85 0.927 -0.060 0.931 18694 83 1 14 "Average Difference" CB 82 0.968 0.009 0.974 18694 84 1 14 "Average Difference" HN 82 0.539 -0.086 0.535 18694 85 1 15 "Average Difference" N 82 1.947 0.237 1.944 18694 86 1 15 "Average Difference" HA 87 0.310 0.022 0.311 18694 87 1 15 "Average Difference" C 80 1.034 -0.066 1.039 18694 88 1 15 "Average Difference" CA 85 1.024 0.012 1.030 18694 89 1 15 "Average Difference" CB 82 0.912 0.009 0.918 18694 90 1 15 "Average Difference" HN 82 0.511 -0.036 0.513 18694 91 1 16 "Average Difference" N 82 2.173 0.190 2.178 18694 92 1 16 "Average Difference" HA 87 0.296 0.009 0.298 18694 93 1 16 "Average Difference" C 80 1.029 -0.094 1.031 18694 94 1 16 "Average Difference" CA 85 0.995 -0.025 1.001 18694 95 1 16 "Average Difference" CB 82 0.965 0.009 0.971 18694 96 1 16 "Average Difference" HN 82 0.439 -0.089 0.433 18694 97 1 17 "Average Difference" N 82 2.077 0.339 2.062 18694 98 1 17 "Average Difference" HA 87 0.245 0.023 0.246 18694 99 1 17 "Average Difference" C 80 0.961 -0.023 0.966 18694 100 1 17 "Average Difference" CA 85 0.948 0.002 0.954 18694 101 1 17 "Average Difference" CB 82 0.907 0.023 0.912 18694 102 1 17 "Average Difference" HN 82 0.452 -0.097 0.445 18694 103 1 18 "Average Difference" N 82 1.953 0.190 1.956 18694 104 1 18 "Average Difference" HA 87 0.304 0.037 0.304 18694 105 1 18 "Average Difference" C 80 1.078 -0.104 1.080 18694 106 1 18 "Average Difference" CA 85 0.987 0.024 0.992 18694 107 1 18 "Average Difference" CB 82 0.991 0.027 0.997 18694 108 1 18 "Average Difference" HN 82 0.550 -0.122 0.539 18694 109 1 19 "Average Difference" N 82 1.940 0.241 1.937 18694 110 1 19 "Average Difference" HA 87 0.290 0.018 0.291 18694 111 1 19 "Average Difference" C 80 1.037 -0.070 1.042 18694 112 1 19 "Average Difference" CA 85 0.955 0.052 0.959 18694 113 1 19 "Average Difference" CB 82 0.949 0.028 0.955 18694 114 1 19 "Average Difference" HN 82 0.483 -0.030 0.485 18694 115 1 20 "Average Difference" N 82 1.981 0.129 1.989 18694 116 1 20 "Average Difference" HA 87 0.283 0.019 0.284 18694 117 1 20 "Average Difference" C 80 1.095 -0.148 1.092 18694 118 1 20 "Average Difference" CA 85 0.977 0.032 0.982 18694 119 1 20 "Average Difference" CB 82 0.975 -0.013 0.981 18694 120 1 20 "Average Difference" HN 82 0.483 -0.066 0.481 18694 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 18694 _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 1 587 587 VAL N N 587 119.752 119.752 119.332 0.420 18694 2 1 . 1 1 587 587 VAL HA H 587 4.098 4.098 4.361 -0.263 18694 3 1 . 1 1 587 587 VAL C C 587 176.340 176.340 175.936 0.404 18694 4 1 . 1 1 587 587 VAL CA C 587 62.229 62.229 61.160 1.069 18694 5 1 . 1 1 587 587 VAL CB C 587 32.782 32.782 33.664 -0.882 18694 6 1 . 1 1 587 587 VAL H H 587 8.027 8.027 7.957 0.070 18694 7 1 . 1 1 588 588 ARG N N 588 125.669 125.669 120.660 5.009 18694 8 1 . 1 1 588 588 ARG HA H 588 4.322 4.322 4.258 0.065 18694 9 1 . 1 1 588 588 ARG C C 588 176.109 176.109 176.039 0.070 18694 10 1 . 1 1 588 588 ARG CA C 588 56.167 56.167 56.563 -0.396 18694 11 1 . 1 1 588 588 ARG CB C 588 30.651 30.651 30.171 0.480 18694 12 1 . 1 1 588 588 ARG H H 588 8.528 8.528 8.401 0.127 18694 13 1 . 1 1 589 589 LYS N N 589 121.018 121.018 121.138 -0.120 18694 14 1 . 1 1 589 589 LYS HA H 589 4.186 4.186 3.966 0.220 18694 15 1 . 1 1 589 589 LYS C C 589 177.598 177.598 175.250 2.348 18694 16 1 . 1 1 589 589 LYS CA C 589 54.923 54.923 55.873 -0.950 18694 17 1 . 1 1 589 589 LYS CB C 589 32.589 32.589 32.011 0.578 18694 18 1 . 1 1 589 589 LYS H H 589 8.116 8.116 7.650 0.466 18694 19 1 . 1 1 590 590 GLY N N 590 112.531 112.531 112.771 -0.240 18694 20 1 . 1 1 590 590 GLY C C 590 176.465 176.465 173.891 2.574 18694 21 1 . 1 1 590 590 GLY CA C 590 47.196 47.196 44.610 2.586 18694 22 1 . 1 1 590 590 GLY H H 590 8.669 8.669 7.829 0.840 18694 23 1 . 1 1 591 591 TRP N N 591 119.435 119.435 120.914 -1.479 18694 24 1 . 1 1 591 591 TRP HA H 591 4.505 4.505 4.442 0.063 18694 25 1 . 1 1 591 591 TRP C C 591 178.177 178.177 176.389 1.788 18694 26 1 . 1 1 591 591 TRP CA C 591 58.128 58.128 57.944 0.184 18694 27 1 . 1 1 591 591 TRP CB C 591 27.754 27.754 28.955 -1.200 18694 28 1 . 1 1 591 591 TRP H H 591 8.026 8.026 7.229 0.797 18694 29 1 . 1 1 592 592 HIS N N 592 119.340 119.340 117.173 2.167 18694 30 1 . 1 1 592 592 HIS HA H 592 3.501 3.501 4.649 -1.148 18694 31 1 . 1 1 592 592 HIS CA C 592 56.278 56.278 57.199 -0.921 18694 32 1 . 1 1 592 592 HIS CB C 592 28.484 28.484 30.040 -1.556 18694 33 1 . 1 1 592 592 HIS H H 592 7.165 7.165 8.560 -1.395 18694 34 1 . 1 1 593 593 GLU N N 593 116.536 116.536 119.645 -3.109 18694 35 1 . 1 1 593 593 GLU HA H 593 3.980 3.980 4.128 -0.148 18694 36 1 . 1 1 593 593 GLU C C 593 176.675 176.675 177.012 -0.337 18694 37 1 . 1 1 593 593 GLU CA C 593 58.108 58.108 58.424 -0.316 18694 38 1 . 1 1 593 593 GLU CB C 593 29.180 29.180 28.920 0.260 18694 39 1 . 1 1 593 593 GLU H H 593 7.726 7.726 8.444 -0.718 18694 40 1 . 1 1 594 594 HIS N N 594 112.885 112.885 114.431 -1.546 18694 41 1 . 1 1 594 594 HIS HA H 594 4.950 4.950 4.720 0.230 18694 42 1 . 1 1 594 594 HIS CA C 594 54.264 54.264 55.310 -1.046 18694 43 1 . 1 1 594 594 HIS CB C 594 29.182 29.182 29.139 0.043 18694 44 1 . 1 1 594 594 HIS H H 594 7.530 7.530 8.191 -0.661 18694 45 1 . 1 1 595 595 VAL N N 595 120.678 120.678 119.679 0.999 18694 46 1 . 1 1 595 595 VAL HA H 595 4.500 4.500 4.382 0.118 18694 47 1 . 1 1 595 595 VAL C C 595 174.593 174.593 175.068 -0.475 18694 48 1 . 1 1 595 595 VAL CA C 595 62.043 62.043 61.138 0.905 18694 49 1 . 1 1 595 595 VAL CB C 595 33.362 33.362 34.907 -1.545 18694 50 1 . 1 1 595 595 VAL H H 595 7.492 7.492 7.625 -0.133 18694 51 1 . 1 1 596 596 THR N N 596 115.525 115.525 118.909 -3.384 18694 52 1 . 1 1 596 596 THR HA H 596 4.494 4.494 4.562 -0.068 18694 53 1 . 1 1 596 596 THR C C 596 175.419 175.419 175.615 -0.196 18694 54 1 . 1 1 596 596 THR CA C 596 60.001 60.001 60.655 -0.654 18694 55 1 . 1 1 596 596 THR CB C 596 71.072 71.072 70.961 0.111 18694 56 1 . 1 1 596 596 THR H H 596 7.583 7.583 8.334 -0.751 18694 57 1 . 1 1 597 597 GLN N N 597 120.346 120.346 124.998 -4.652 18694 58 1 . 1 1 597 597 GLN HA H 597 3.818 3.818 4.052 -0.234 18694 59 1 . 1 1 597 597 GLN C C 597 178.079 178.079 177.524 0.555 18694 60 1 . 1 1 597 597 GLN CA C 597 58.754 58.754 59.324 -0.569 18694 61 1 . 1 1 597 597 GLN CB C 597 28.012 28.012 28.589 -0.577 18694 62 1 . 1 1 597 597 GLN H H 597 8.929 8.929 8.899 0.030 18694 63 1 . 1 1 598 598 ASP N N 598 117.842 117.842 120.057 -2.215 18694 64 1 . 1 1 598 598 ASP HA H 598 4.340 4.340 4.393 -0.053 18694 65 1 . 1 1 598 598 ASP C C 598 178.494 178.494 178.605 -0.111 18694 66 1 . 1 1 598 598 ASP CA C 598 56.893 56.893 57.454 -0.561 18694 67 1 . 1 1 598 598 ASP CB C 598 40.534 40.534 40.629 -0.095 18694 68 1 . 1 1 598 598 ASP H H 598 8.382 8.382 7.808 0.574 18694 69 1 . 1 1 599 599 LEU N N 599 123.174 123.174 120.133 3.041 18694 70 1 . 1 1 599 599 LEU HA H 599 4.243 4.243 4.030 0.213 18694 71 1 . 1 1 599 599 LEU C C 599 179.129 179.129 178.464 0.665 18694 72 1 . 1 1 599 599 LEU CA C 599 58.443 58.443 57.948 0.495 18694 73 1 . 1 1 599 599 LEU CB C 599 41.634 41.634 41.849 -0.215 18694 74 1 . 1 1 599 599 LEU H H 599 7.671 7.671 7.833 -0.162 18694 75 1 . 1 1 600 600 ARG N N 600 118.132 118.132 118.159 -0.027 18694 76 1 . 1 1 600 600 ARG HA H 600 4.322 4.322 4.066 0.256 18694 77 1 . 1 1 600 600 ARG C C 600 179.103 179.103 179.011 0.092 18694 78 1 . 1 1 600 600 ARG CA C 600 60.396 60.396 59.659 0.737 18694 79 1 . 1 1 600 600 ARG CB C 600 30.520 30.520 30.134 0.386 18694 80 1 . 1 1 600 600 ARG H H 600 7.768 7.768 7.701 0.067 18694 81 1 . 1 1 601 601 SER N N 601 112.865 112.865 114.850 -1.985 18694 82 1 . 1 1 601 601 SER HA H 601 4.134 4.134 4.121 0.013 18694 83 1 . 1 1 601 601 SER C C 601 177.665 177.665 176.420 1.245 18694 84 1 . 1 1 601 601 SER CA C 601 61.534 61.534 61.821 -0.287 18694 85 1 . 1 1 601 601 SER CB C 601 62.758 62.758 62.899 -0.141 18694 86 1 . 1 1 601 601 SER H H 601 8.501 8.501 8.296 0.205 18694 87 1 . 1 1 602 602 HIS N N 602 121.543 121.543 123.457 -1.914 18694 88 1 . 1 1 602 602 HIS HA H 602 4.493 4.493 4.318 0.175 18694 89 1 . 1 1 602 602 HIS CA C 602 58.909 58.909 60.016 -1.107 18694 90 1 . 1 1 602 602 HIS CB C 602 28.089 28.089 30.087 -1.998 18694 91 1 . 1 1 602 602 HIS H H 602 8.098 8.098 8.277 -0.179 18694 92 1 . 1 1 603 603 LEU N N 603 122.394 122.394 119.007 3.387 18694 93 1 . 1 1 603 603 LEU HA H 603 4.028 4.028 3.952 0.076 18694 94 1 . 1 1 603 603 LEU C C 603 179.275 179.275 178.961 0.314 18694 95 1 . 1 1 603 603 LEU CA C 603 58.097 58.097 57.924 0.173 18694 96 1 . 1 1 603 603 LEU CB C 603 40.222 40.222 41.659 -1.437 18694 97 1 . 1 1 603 603 LEU H H 603 8.293 8.293 7.971 0.322 18694 98 1 . 1 1 604 604 VAL N N 604 120.325 120.325 119.782 0.543 18694 99 1 . 1 1 604 604 VAL HA H 604 3.428 3.428 3.528 -0.100 18694 100 1 . 1 1 604 604 VAL C C 604 178.026 178.026 178.156 -0.130 18694 101 1 . 1 1 604 604 VAL CA C 604 67.892 67.892 66.750 1.142 18694 102 1 . 1 1 604 604 VAL CB C 604 31.603 31.603 31.092 0.511 18694 103 1 . 1 1 604 604 VAL H H 604 8.409 8.409 7.731 0.677 18694 104 1 . 1 1 605 605 HIS N N 605 116.275 116.275 118.337 -2.062 18694 105 1 . 1 1 605 605 HIS HA H 605 4.252 4.252 4.196 0.056 18694 106 1 . 1 1 605 605 HIS CA C 605 59.091 59.091 60.041 -0.950 18694 107 1 . 1 1 605 605 HIS CB C 605 27.880 27.880 29.425 -1.545 18694 108 1 . 1 1 605 605 HIS H H 605 7.908 7.908 7.947 -0.039 18694 109 1 . 1 1 606 606 LYS N N 606 119.506 119.506 120.404 -0.898 18694 110 1 . 1 1 606 606 LYS HA H 606 4.273 4.273 3.993 0.280 18694 111 1 . 1 1 606 606 LYS C C 606 178.947 178.947 178.881 0.066 18694 112 1 . 1 1 606 606 LYS CA C 606 58.804 58.804 59.452 -0.648 18694 113 1 . 1 1 606 606 LYS H H 606 8.092 8.092 7.763 0.329 18694 114 1 . 1 1 607 607 LEU N N 607 121.321 121.321 121.103 0.218 18694 115 1 . 1 1 607 607 LEU HA H 607 3.958 3.958 3.987 -0.029 18694 116 1 . 1 1 607 607 LEU C C 607 177.899 177.899 178.531 -0.632 18694 117 1 . 1 1 607 607 LEU CA C 607 58.826 58.826 57.959 0.867 18694 118 1 . 1 1 607 607 LEU CB C 607 42.523 42.523 42.087 0.436 18694 119 1 . 1 1 607 607 LEU H H 607 7.994 7.994 7.878 0.117 18694 120 1 . 1 1 608 608 VAL N N 608 118.191 118.191 118.998 -0.807 18694 121 1 . 1 1 608 608 VAL HA H 608 3.347 3.347 3.559 -0.212 18694 122 1 . 1 1 608 608 VAL C C 608 177.033 177.033 178.173 -1.140 18694 123 1 . 1 1 608 608 VAL CA C 608 67.943 67.943 66.595 1.348 18694 124 1 . 1 1 608 608 VAL CB C 608 31.652 31.652 31.246 0.406 18694 125 1 . 1 1 608 608 VAL H H 608 8.036 8.036 8.121 -0.085 18694 126 1 . 1 1 609 609 GLN N N 609 116.772 116.772 119.719 -2.947 18694 127 1 . 1 1 609 609 GLN HA H 609 3.888 3.888 4.149 -0.261 18694 128 1 . 1 1 609 609 GLN C C 609 176.992 176.992 177.706 -0.714 18694 129 1 . 1 1 609 609 GLN CA C 609 58.108 58.108 58.521 -0.413 18694 130 1 . 1 1 609 609 GLN CB C 609 29.153 29.153 28.606 0.547 18694 131 1 . 1 1 609 609 GLN H H 609 8.108 8.108 8.484 -0.376 18694 132 1 . 1 1 610 610 ALA N N 610 119.316 119.316 120.628 -1.312 18694 133 1 . 1 1 610 610 ALA HA H 610 4.033 4.033 4.177 -0.144 18694 134 1 . 1 1 610 610 ALA C C 610 178.498 178.498 179.006 -0.508 18694 135 1 . 1 1 610 610 ALA CA C 610 53.778 53.778 54.551 -0.773 18694 136 1 . 1 1 610 610 ALA CB C 610 19.392 19.392 18.663 0.729 18694 137 1 . 1 1 610 610 ALA H H 610 7.756 7.756 7.781 -0.025 18694 138 1 . 1 1 611 611 ILE N N 611 115.839 115.839 115.970 -0.131 18694 139 1 . 1 1 611 611 ILE HA H 611 3.675 3.675 4.029 -0.354 18694 140 1 . 1 1 611 611 ILE C C 611 174.299 174.299 176.468 -2.169 18694 141 1 . 1 1 611 611 ILE CA C 611 63.725 63.725 63.528 0.196 18694 142 1 . 1 1 611 611 ILE CB C 611 39.306 39.306 39.031 0.275 18694 143 1 . 1 1 611 611 ILE H H 611 7.498 7.498 7.378 0.120 18694 144 1 . 1 1 612 612 PHE N N 612 116.531 116.531 119.585 -3.054 18694 145 1 . 1 1 612 612 PHE HA H 612 5.096 5.096 4.987 0.108 18694 146 1 . 1 1 612 612 PHE C C 612 171.610 171.610 173.437 -1.827 18694 147 1 . 1 1 612 612 PHE CA C 612 51.716 51.716 54.772 -3.056 18694 148 1 . 1 1 612 612 PHE CB C 612 39.682 39.682 41.166 -1.484 18694 149 1 . 1 1 612 612 PHE H H 612 8.235 8.235 7.988 0.247 18694 150 1 . 1 1 613 613 PRO HA H 613 4.573 4.573 4.543 0.030 18694 151 1 . 1 1 613 613 PRO C C 613 178.269 178.269 176.391 1.878 18694 152 1 . 1 1 613 613 PRO CA C 613 64.778 64.778 63.762 1.016 18694 153 1 . 1 1 613 613 PRO CB C 613 32.444 32.444 31.802 0.642 18694 154 1 . 1 1 614 614 THR N N 614 109.561 109.561 113.161 -3.600 18694 155 1 . 1 1 614 614 THR HA H 614 4.470 4.470 4.377 0.093 18694 156 1 . 1 1 614 614 THR C C 614 172.048 172.048 172.615 -0.567 18694 157 1 . 1 1 614 614 THR CA C 614 58.106 58.106 58.888 -0.782 18694 158 1 . 1 1 614 614 THR CB C 614 69.549 69.549 68.342 1.207 18694 159 1 . 1 1 614 614 THR H H 614 8.025 8.025 7.322 0.703 18694 160 1 . 1 1 615 615 PRO HA H 615 3.990 3.990 4.501 -0.511 18694 161 1 . 1 1 615 615 PRO C C 615 176.462 176.462 175.969 0.493 18694 162 1 . 1 1 615 615 PRO CA C 615 62.692 62.692 62.291 0.401 18694 163 1 . 1 1 615 615 PRO CB C 615 31.302 31.302 30.898 0.404 18694 164 1 . 1 1 616 616 ASP N N 616 122.743 122.743 123.946 -1.203 18694 165 1 . 1 1 616 616 ASP HA H 616 4.753 4.753 4.737 0.016 18694 166 1 . 1 1 616 616 ASP C C 616 174.226 174.226 176.620 -2.394 18694 167 1 . 1 1 616 616 ASP CA C 616 51.858 51.858 51.623 0.235 18694 168 1 . 1 1 616 616 ASP CB C 616 39.930 39.930 42.932 -3.002 18694 169 1 . 1 1 616 616 ASP H H 616 8.145 8.145 7.804 0.341 18694 170 1 . 1 1 617 617 PRO HA H 617 4.110 4.110 4.258 -0.148 18694 171 1 . 1 1 617 617 PRO C C 617 178.885 178.885 177.090 1.795 18694 172 1 . 1 1 617 617 PRO CA C 617 66.015 66.015 64.948 1.067 18694 173 1 . 1 1 617 617 PRO CB C 617 31.934 31.934 31.982 -0.048 18694 174 1 . 1 1 618 618 ALA N N 618 118.548 118.548 120.178 -1.630 18694 175 1 . 1 1 618 618 ALA HA H 618 4.083 4.083 4.288 -0.205 18694 176 1 . 1 1 618 618 ALA C C 618 180.518 180.518 179.931 0.587 18694 177 1 . 1 1 618 618 ALA CA C 618 54.722 54.722 53.916 0.806 18694 178 1 . 1 1 618 618 ALA CB C 618 18.191 18.191 18.654 -0.463 18694 179 1 . 1 1 618 618 ALA H H 618 8.093 8.093 8.006 0.087 18694 180 1 . 1 1 619 619 ALA N N 619 122.623 122.623 122.673 -0.050 18694 181 1 . 1 1 619 619 ALA HA H 619 4.325 4.325 4.112 0.213 18694 182 1 . 1 1 619 619 ALA C C 619 179.318 179.318 179.965 -0.647 18694 183 1 . 1 1 619 619 ALA CA C 619 54.685 54.685 54.726 -0.041 18694 184 1 . 1 1 619 619 ALA CB C 619 18.655 18.655 18.412 0.243 18694 185 1 . 1 1 619 619 ALA H H 619 8.039 8.039 8.634 -0.595 18694 186 1 . 1 1 620 620 LEU N N 620 114.041 114.041 116.889 -2.848 18694 187 1 . 1 1 620 620 LEU HA H 620 4.047 4.047 4.235 -0.188 18694 188 1 . 1 1 620 620 LEU C C 620 178.288 178.288 177.588 0.700 18694 189 1 . 1 1 620 620 LEU CA C 620 57.139 57.139 57.034 0.105 18694 190 1 . 1 1 620 620 LEU CB C 620 42.147 42.147 41.523 0.624 18694 191 1 . 1 1 620 620 LEU H H 620 7.606 7.606 8.155 -0.549 18694 192 1 . 1 1 621 621 LYS N N 621 115.255 115.255 115.807 -0.552 18694 193 1 . 1 1 621 621 LYS HA H 621 4.337 4.337 4.355 -0.018 18694 194 1 . 1 1 621 621 LYS C C 621 175.867 175.867 175.703 0.164 18694 195 1 . 1 1 621 621 LYS CA C 621 55.453 55.453 55.363 0.090 18694 196 1 . 1 1 621 621 LYS CB C 621 32.881 32.881 32.666 0.215 18694 197 1 . 1 1 621 621 LYS H H 621 7.272 7.272 7.499 -0.227 18694 198 1 . 1 1 622 622 ASP N N 622 123.382 123.382 120.601 2.781 18694 199 1 . 1 1 622 622 ASP HA H 622 4.493 4.493 4.671 -0.178 18694 200 1 . 1 1 622 622 ASP C C 622 178.117 178.117 176.920 1.197 18694 201 1 . 1 1 622 622 ASP CA C 622 53.884 53.884 53.090 0.794 18694 202 1 . 1 1 622 622 ASP CB C 622 43.987 43.987 42.824 1.163 18694 203 1 . 1 1 622 622 ASP H H 622 7.454 7.454 7.650 -0.196 18694 204 1 . 1 1 623 623 ARG N N 623 130.356 130.356 126.058 4.298 18694 205 1 . 1 1 623 623 ARG HA H 623 4.087 4.087 4.102 -0.015 18694 206 1 . 1 1 623 623 ARG C C 623 178.321 178.321 178.355 -0.034 18694 207 1 . 1 1 623 623 ARG CA C 623 58.789 58.789 58.718 0.071 18694 208 1 . 1 1 623 623 ARG CB C 623 29.511 29.511 29.988 -0.477 18694 209 1 . 1 1 623 623 ARG H H 623 9.107 9.107 8.799 0.308 18694 210 1 . 1 1 624 624 ARG N N 624 119.125 119.125 119.478 -0.353 18694 211 1 . 1 1 624 624 ARG HA H 624 3.834 3.834 4.065 -0.231 18694 212 1 . 1 1 624 624 ARG C C 624 178.521 178.521 178.422 0.099 18694 213 1 . 1 1 624 624 ARG CA C 624 58.679 58.679 59.000 -0.321 18694 214 1 . 1 1 624 624 ARG CB C 624 28.099 28.099 29.809 -1.710 18694 215 1 . 1 1 624 624 ARG H H 624 9.582 9.582 8.166 1.416 18694 216 1 . 1 1 625 625 MET N N 625 120.202 120.202 118.910 1.292 18694 217 1 . 1 1 625 625 MET HA H 625 4.527 4.527 4.089 0.438 18694 218 1 . 1 1 625 625 MET C C 625 178.749 178.749 177.777 0.972 18694 219 1 . 1 1 625 625 MET CA C 625 56.796 56.796 58.858 -2.062 18694 220 1 . 1 1 625 625 MET CB C 625 30.890 30.890 32.299 -1.409 18694 221 1 . 1 1 625 625 MET H H 625 7.953 7.953 7.911 0.042 18694 222 1 . 1 1 626 626 GLU N N 626 117.897 117.897 119.196 -1.299 18694 223 1 . 1 1 626 626 GLU HA H 626 4.060 4.060 3.908 0.152 18694 224 1 . 1 1 626 626 GLU C C 626 179.640 179.640 178.965 0.675 18694 225 1 . 1 1 626 626 GLU CA C 626 58.980 58.980 59.724 -0.744 18694 226 1 . 1 1 626 626 GLU CB C 626 28.532 28.532 28.985 -0.453 18694 227 1 . 1 1 626 626 GLU H H 626 7.431 7.431 7.897 -0.466 18694 228 1 . 1 1 627 627 ASN N N 627 117.950 117.950 118.076 -0.126 18694 229 1 . 1 1 627 627 ASN HA H 627 4.489 4.489 4.451 0.038 18694 230 1 . 1 1 627 627 ASN C C 627 177.540 177.540 177.917 -0.377 18694 231 1 . 1 1 627 627 ASN CA C 627 55.798 55.798 56.031 -0.233 18694 232 1 . 1 1 627 627 ASN CB C 627 37.504 37.504 38.469 -0.965 18694 233 1 . 1 1 627 627 ASN H H 627 7.442 7.442 7.931 -0.489 18694 234 1 . 1 1 628 628 LEU N N 628 124.396 124.396 119.810 4.586 18694 235 1 . 1 1 628 628 LEU HA H 628 4.189 4.189 4.234 -0.045 18694 236 1 . 1 1 628 628 LEU C C 628 177.838 177.838 178.292 -0.454 18694 237 1 . 1 1 628 628 LEU CA C 628 59.342 59.342 58.158 1.184 18694 238 1 . 1 1 628 628 LEU CB C 628 41.701 41.701 41.489 0.212 18694 239 1 . 1 1 628 628 LEU H H 628 7.873 7.873 7.462 0.411 18694 240 1 . 1 1 629 629 VAL N N 629 120.503 120.503 120.294 0.209 18694 241 1 . 1 1 629 629 VAL HA H 629 3.483 3.483 3.568 -0.085 18694 242 1 . 1 1 629 629 VAL C C 629 177.552 177.552 178.107 -0.555 18694 243 1 . 1 1 629 629 VAL CA C 629 67.225 67.225 66.685 0.540 18694 244 1 . 1 1 629 629 VAL CB C 629 31.687 31.687 31.061 0.626 18694 245 1 . 1 1 629 629 VAL H H 629 8.246 8.246 8.026 0.220 18694 246 1 . 1 1 630 630 ALA N N 630 120.687 120.687 122.908 -2.221 18694 247 1 . 1 1 630 630 ALA HA H 630 4.032 4.032 3.997 0.035 18694 248 1 . 1 1 630 630 ALA C C 630 180.849 180.849 179.221 1.628 18694 249 1 . 1 1 630 630 ALA CA C 630 55.414 55.414 55.225 0.189 18694 250 1 . 1 1 630 630 ALA CB C 630 18.092 18.092 18.173 -0.081 18694 251 1 . 1 1 630 630 ALA H H 630 8.159 8.159 8.431 -0.272 18694 252 1 . 1 1 631 631 TYR N N 631 121.083 121.083 120.166 0.917 18694 253 1 . 1 1 631 631 TYR HA H 631 4.239 4.239 4.056 0.183 18694 254 1 . 1 1 631 631 TYR C C 631 177.591 177.591 177.165 0.426 18694 255 1 . 1 1 631 631 TYR CA C 631 61.311 61.311 60.870 0.441 18694 256 1 . 1 1 631 631 TYR CB C 631 38.219 38.219 38.195 0.024 18694 257 1 . 1 1 631 631 TYR H H 631 8.102 8.102 8.117 -0.015 18694 258 1 . 1 1 632 632 ALA N N 632 122.444 122.444 121.364 1.080 18694 259 1 . 1 1 632 632 ALA HA H 632 3.682 3.682 3.829 -0.147 18694 260 1 . 1 1 632 632 ALA C C 632 179.014 179.014 179.648 -0.634 18694 261 1 . 1 1 632 632 ALA CA C 632 55.342 55.342 55.247 0.095 18694 262 1 . 1 1 632 632 ALA CB C 632 19.824 19.824 18.011 1.813 18694 263 1 . 1 1 632 632 ALA H H 632 8.292 8.292 7.944 0.348 18694 264 1 . 1 1 633 633 LYS N N 633 115.912 115.912 118.500 -2.588 18694 265 1 . 1 1 633 633 LYS HA H 633 4.010 4.010 4.011 -0.001 18694 266 1 . 1 1 633 633 LYS C C 633 180.004 180.004 179.047 0.957 18694 267 1 . 1 1 633 633 LYS CA C 633 59.704 59.704 58.839 0.865 18694 268 1 . 1 1 633 633 LYS CB C 633 32.667 32.667 31.886 0.781 18694 269 1 . 1 1 633 633 LYS H H 633 8.548 8.548 7.858 0.690 18694 270 1 . 1 1 634 634 LYS N N 634 123.870 123.870 120.088 3.782 18694 271 1 . 1 1 634 634 LYS HA H 634 4.012 4.012 3.966 0.046 18694 272 1 . 1 1 634 634 LYS C C 634 178.603 178.603 178.795 -0.192 18694 273 1 . 1 1 634 634 LYS CA C 634 59.102 59.102 59.121 -0.019 18694 274 1 . 1 1 634 634 LYS CB C 634 31.789 31.789 31.906 -0.117 18694 275 1 . 1 1 634 634 LYS H H 634 7.943 7.943 7.855 0.088 18694 276 1 . 1 1 635 635 VAL N N 635 119.215 119.215 119.108 0.107 18694 277 1 . 1 1 635 635 VAL HA H 635 3.676 3.676 3.457 0.219 18694 278 1 . 1 1 635 635 VAL C C 635 178.574 178.574 177.439 1.135 18694 279 1 . 1 1 635 635 VAL CA C 635 66.100 66.100 66.923 -0.823 18694 280 1 . 1 1 635 635 VAL CB C 635 31.611 31.611 31.242 0.369 18694 281 1 . 1 1 635 635 VAL H H 635 8.165 8.165 8.020 0.145 18694 282 1 . 1 1 636 636 GLU N N 636 120.094 120.094 119.917 0.177 18694 283 1 . 1 1 636 636 GLU HA H 636 3.862 3.862 4.046 -0.184 18694 284 1 . 1 1 636 636 GLU C C 636 178.666 178.666 179.246 -0.580 18694 285 1 . 1 1 636 636 GLU CA C 636 61.689 61.689 59.552 2.137 18694 286 1 . 1 1 636 636 GLU CB C 636 28.719 28.719 28.812 -0.093 18694 287 1 . 1 1 636 636 GLU H H 636 8.331 8.331 8.193 0.138 18694 288 1 . 1 1 637 637 GLY N N 637 106.839 106.839 108.039 -1.200 18694 289 1 . 1 1 637 637 GLY C C 637 176.614 176.614 176.017 0.597 18694 290 1 . 1 1 637 637 GLY CA C 637 47.337 47.337 46.882 0.455 18694 291 1 . 1 1 637 637 GLY H H 637 8.145 8.145 8.151 -0.006 18694 292 1 . 1 1 638 638 ASP N N 638 122.731 122.731 122.829 -0.098 18694 293 1 . 1 1 638 638 ASP HA H 638 4.543 4.543 4.423 0.120 18694 294 1 . 1 1 638 638 ASP C C 638 180.109 180.109 178.909 1.200 18694 295 1 . 1 1 638 638 ASP CA C 638 56.894 56.894 56.874 0.020 18694 296 1 . 1 1 638 638 ASP CB C 638 40.088 40.088 41.126 -1.038 18694 297 1 . 1 1 638 638 ASP H H 638 8.338 8.338 8.142 0.196 18694 298 1 . 1 1 639 639 MET N N 639 121.055 121.055 118.694 2.361 18694 299 1 . 1 1 639 639 MET HA H 639 4.389 4.389 4.192 0.197 18694 300 1 . 1 1 639 639 MET C C 639 177.737 177.737 178.258 -0.521 18694 301 1 . 1 1 639 639 MET CA C 639 58.675 58.675 57.073 1.602 18694 302 1 . 1 1 639 639 MET CB C 639 32.530 32.530 31.448 1.082 18694 303 1 . 1 1 639 639 MET H H 639 8.193 8.193 8.576 -0.383 18694 304 1 . 1 1 640 640 TYR N N 640 121.235 121.235 119.967 1.268 18694 305 1 . 1 1 640 640 TYR HA H 640 4.298 4.298 3.762 0.536 18694 306 1 . 1 1 640 640 TYR C C 640 178.311 178.311 177.046 1.265 18694 307 1 . 1 1 640 640 TYR CA C 640 61.907 61.907 61.249 0.658 18694 308 1 . 1 1 640 640 TYR CB C 640 38.950 38.950 37.746 1.204 18694 309 1 . 1 1 640 640 TYR H H 640 9.328 9.328 8.182 1.146 18694 310 1 . 1 1 641 641 GLU N N 641 115.098 115.098 117.112 -2.014 18694 311 1 . 1 1 641 641 GLU HA H 641 4.366 4.366 3.882 0.484 18694 312 1 . 1 1 641 641 GLU C C 641 178.006 178.006 178.808 -0.802 18694 313 1 . 1 1 641 641 GLU CA C 641 57.446 57.446 58.921 -1.475 18694 314 1 . 1 1 641 641 GLU CB C 641 29.702 29.702 29.177 0.525 18694 315 1 . 1 1 641 641 GLU H H 641 8.079 8.079 7.699 0.380 18694 316 1 . 1 1 642 642 SER N N 642 112.869 112.869 115.421 -2.552 18694 317 1 . 1 1 642 642 SER HA H 642 4.394 4.394 4.239 0.155 18694 318 1 . 1 1 642 642 SER C C 642 175.251 175.251 176.442 -1.191 18694 319 1 . 1 1 642 642 SER CA C 642 60.175 60.175 60.601 -0.426 18694 320 1 . 1 1 642 642 SER CB C 642 64.388 64.388 63.079 1.309 18694 321 1 . 1 1 642 642 SER H H 642 7.968 7.968 7.601 0.367 18694 322 1 . 1 1 643 643 ALA N N 643 123.763 123.763 123.263 0.500 18694 323 1 . 1 1 643 643 ALA HA H 643 4.227 4.227 4.114 0.113 18694 324 1 . 1 1 643 643 ALA C C 643 177.897 177.897 176.697 1.200 18694 325 1 . 1 1 643 643 ALA CA C 643 52.599 52.599 52.791 -0.192 18694 326 1 . 1 1 643 643 ALA CB C 643 19.692 19.692 16.958 2.734 18694 327 1 . 1 1 643 643 ALA H H 643 8.096 8.096 8.280 -0.184 18694 328 1 . 1 1 644 644 ASN N N 644 117.176 117.176 116.212 0.964 18694 329 1 . 1 1 644 644 ASN HA H 644 5.110 5.110 4.520 0.590 18694 330 1 . 1 1 644 644 ASN C C 644 173.978 173.978 174.585 -0.607 18694 331 1 . 1 1 644 644 ASN CA C 644 53.354 53.354 53.858 -0.504 18694 332 1 . 1 1 644 644 ASN CB C 644 40.219 40.219 39.018 1.201 18694 333 1 . 1 1 644 644 ASN H H 644 9.102 9.102 8.147 0.955 18694 334 1 . 1 1 645 645 SER N N 645 111.225 111.225 113.066 -1.841 18694 335 1 . 1 1 645 645 SER HA H 645 3.632 3.632 4.764 -1.132 18694 336 1 . 1 1 645 645 SER C C 645 171.965 171.965 174.430 -2.465 18694 337 1 . 1 1 645 645 SER CA C 645 56.522 56.522 57.294 -0.772 18694 338 1 . 1 1 645 645 SER CB C 645 64.968 64.968 66.070 -1.102 18694 339 1 . 1 1 645 645 SER H H 645 6.865 6.865 7.411 -0.546 18694 340 1 . 1 1 646 646 ARG N N 646 121.944 121.944 124.572 -2.628 18694 341 1 . 1 1 646 646 ARG HA H 646 3.186 3.186 4.158 -0.972 18694 342 1 . 1 1 646 646 ARG C C 646 177.709 177.709 178.300 -0.592 18694 343 1 . 1 1 646 646 ARG CA C 646 59.031 59.031 59.911 -0.880 18694 344 1 . 1 1 646 646 ARG CB C 646 30.253 30.253 29.862 0.391 18694 345 1 . 1 1 646 646 ARG H H 646 8.685 8.685 8.961 -0.276 18694 346 1 . 1 1 647 647 ASP N N 647 116.817 116.817 118.126 -1.309 18694 347 1 . 1 1 647 647 ASP HA H 647 4.295 4.295 4.537 -0.242 18694 348 1 . 1 1 647 647 ASP C C 647 178.860 178.860 178.470 0.390 18694 349 1 . 1 1 647 647 ASP CA C 647 57.125 57.125 57.654 -0.529 18694 350 1 . 1 1 647 647 ASP CB C 647 40.289 40.289 40.513 -0.224 18694 351 1 . 1 1 647 647 ASP H H 647 8.119 8.119 8.555 -0.436 18694 352 1 . 1 1 648 648 GLU N N 648 121.231 121.231 120.509 0.722 18694 353 1 . 1 1 648 648 GLU HA H 648 3.990 3.990 4.115 -0.125 18694 354 1 . 1 1 648 648 GLU C C 648 177.064 177.064 178.505 -1.441 18694 355 1 . 1 1 648 648 GLU CA C 648 59.262 59.262 59.438 -0.176 18694 356 1 . 1 1 648 648 GLU CB C 648 30.138 30.138 29.369 0.769 18694 357 1 . 1 1 648 648 GLU H H 648 7.799 7.799 8.223 -0.424 18694 358 1 . 1 1 649 649 TYR N N 649 122.045 122.045 121.036 1.009 18694 359 1 . 1 1 649 649 TYR HA H 649 3.999 3.999 4.154 -0.155 18694 360 1 . 1 1 649 649 TYR C C 649 176.140 176.140 177.865 -1.725 18694 361 1 . 1 1 649 649 TYR CA C 649 60.669 60.669 60.086 0.583 18694 362 1 . 1 1 649 649 TYR CB C 649 38.957 38.957 38.202 0.755 18694 363 1 . 1 1 649 649 TYR H H 649 7.338 7.338 8.165 -0.827 18694 364 1 . 1 1 650 650 TYR N N 650 115.581 115.581 116.938 -1.357 18694 365 1 . 1 1 650 650 TYR HA H 650 3.999 3.999 3.998 0.001 18694 366 1 . 1 1 650 650 TYR C C 650 179.058 179.058 178.227 0.831 18694 367 1 . 1 1 650 650 TYR CA C 650 60.493 60.493 62.479 -1.986 18694 368 1 . 1 1 650 650 TYR CB C 650 37.642 37.642 37.980 -0.338 18694 369 1 . 1 1 650 650 TYR H H 650 8.072 8.072 8.004 0.068 18694 370 1 . 1 1 651 651 HIS N N 651 118.435 118.435 119.717 -1.282 18694 371 1 . 1 1 651 651 HIS HA H 651 4.313 4.313 4.281 0.032 18694 372 1 . 1 1 651 651 HIS CA C 651 59.303 59.303 60.185 -0.882 18694 373 1 . 1 1 651 651 HIS CB C 651 28.256 28.256 30.166 -1.910 18694 374 1 . 1 1 651 651 HIS H H 651 8.311 8.311 7.973 0.338 18694 375 1 . 1 1 652 652 LEU N N 652 121.135 121.135 119.795 1.341 18694 376 1 . 1 1 652 652 LEU HA H 652 3.993 3.993 3.937 0.056 18694 377 1 . 1 1 652 652 LEU C C 652 180.822 180.822 179.141 1.681 18694 378 1 . 1 1 652 652 LEU CA C 652 57.893 57.893 58.252 -0.359 18694 379 1 . 1 1 652 652 LEU CB C 652 42.037 42.037 41.922 0.114 18694 380 1 . 1 1 652 652 LEU H H 652 9.141 9.141 8.303 0.838 18694 381 1 . 1 1 653 653 LEU N N 653 120.947 120.947 118.920 2.027 18694 382 1 . 1 1 653 653 LEU HA H 653 3.833 3.833 3.872 -0.039 18694 383 1 . 1 1 653 653 LEU C C 653 178.085 178.085 178.869 -0.784 18694 384 1 . 1 1 653 653 LEU CA C 653 58.338 58.338 58.064 0.274 18694 385 1 . 1 1 653 653 LEU CB C 653 41.886 41.886 41.350 0.536 18694 386 1 . 1 1 653 653 LEU H H 653 7.769 7.769 7.498 0.271 18694 387 1 . 1 1 654 654 ALA N N 654 120.863 120.863 121.236 -0.373 18694 388 1 . 1 1 654 654 ALA HA H 654 3.884 3.884 3.869 0.015 18694 389 1 . 1 1 654 654 ALA C C 654 180.274 180.274 179.427 0.847 18694 390 1 . 1 1 654 654 ALA CA C 654 55.356 55.356 55.254 0.101 18694 391 1 . 1 1 654 654 ALA CB C 654 18.190 18.190 17.817 0.373 18694 392 1 . 1 1 654 654 ALA H H 654 8.111 8.111 8.206 -0.095 18694 393 1 . 1 1 655 655 GLU N N 655 118.047 118.047 118.662 -0.615 18694 394 1 . 1 1 655 655 GLU HA H 655 4.018 4.018 3.970 0.048 18694 395 1 . 1 1 655 655 GLU C C 655 178.311 178.311 178.794 -0.483 18694 396 1 . 1 1 655 655 GLU CA C 655 59.079 59.079 59.581 -0.502 18694 397 1 . 1 1 655 655 GLU CB C 655 29.414 29.414 29.461 -0.047 18694 398 1 . 1 1 655 655 GLU H H 655 8.363 8.363 8.152 0.211 18694 399 1 . 1 1 656 656 LYS N N 656 120.122 120.122 119.154 0.968 18694 400 1 . 1 1 656 656 LYS HA H 656 4.050 4.050 4.106 -0.056 18694 401 1 . 1 1 656 656 LYS C C 656 178.388 178.388 179.289 -0.901 18694 402 1 . 1 1 656 656 LYS CA C 656 58.129 58.129 58.883 -0.754 18694 403 1 . 1 1 656 656 LYS CB C 656 31.410 31.410 32.134 -0.724 18694 404 1 . 1 1 656 656 LYS H H 656 7.852 7.852 7.619 0.233 18694 405 1 . 1 1 657 657 ILE N N 657 118.294 118.294 120.127 -1.833 18694 406 1 . 1 1 657 657 ILE HA H 657 3.391 3.391 3.698 -0.307 18694 407 1 . 1 1 657 657 ILE C C 657 177.061 177.061 178.011 -0.950 18694 408 1 . 1 1 657 657 ILE CA C 657 66.526 66.526 65.544 0.982 18694 409 1 . 1 1 657 657 ILE CB C 657 37.900 37.900 37.961 -0.061 18694 410 1 . 1 1 657 657 ILE H H 657 8.199 8.199 8.110 0.089 18694 411 1 . 1 1 658 658 TYR N N 658 119.430 119.430 120.509 -1.079 18694 412 1 . 1 1 658 658 TYR HA H 658 4.303 4.303 4.202 0.101 18694 413 1 . 1 1 658 658 TYR C C 658 177.869 177.869 177.631 0.238 18694 414 1 . 1 1 658 658 TYR CA C 658 60.869 60.869 60.485 0.384 18694 415 1 . 1 1 658 658 TYR CB C 658 38.205 38.205 38.124 0.081 18694 416 1 . 1 1 658 658 TYR H H 658 8.066 8.066 8.136 -0.069 18694 417 1 . 1 1 659 659 LYS N N 659 118.321 118.321 119.428 -1.107 18694 418 1 . 1 1 659 659 LYS HA H 659 3.814 3.814 3.905 -0.091 18694 419 1 . 1 1 659 659 LYS C C 659 180.019 180.019 179.129 0.890 18694 420 1 . 1 1 659 659 LYS CA C 659 59.860 59.860 58.970 0.890 18694 421 1 . 1 1 659 659 LYS CB C 659 32.691 32.691 31.754 0.937 18694 422 1 . 1 1 659 659 LYS H H 659 8.309 8.309 8.085 0.224 18694 423 1 . 1 1 660 660 ILE N N 660 121.103 121.103 120.158 0.945 18694 424 1 . 1 1 660 660 ILE HA H 660 3.586 3.586 3.653 -0.067 18694 425 1 . 1 1 660 660 ILE C C 660 177.404 177.404 177.860 -0.456 18694 426 1 . 1 1 660 660 ILE CA C 660 66.076 66.076 65.087 0.989 18694 427 1 . 1 1 660 660 ILE CB C 660 38.384 38.384 37.906 0.478 18694 428 1 . 1 1 660 660 ILE H H 660 8.546 8.546 8.076 0.470 18694 429 1 . 1 1 661 661 GLN N N 661 118.093 118.093 118.706 -0.613 18694 430 1 . 1 1 661 661 GLN HA H 661 3.931 3.931 3.899 0.032 18694 431 1 . 1 1 661 661 GLN C C 661 179.682 179.682 178.282 1.400 18694 432 1 . 1 1 661 661 GLN CA C 661 59.868 59.868 59.176 0.692 18694 433 1 . 1 1 661 661 GLN CB C 661 28.061 28.061 28.441 -0.380 18694 434 1 . 1 1 661 661 GLN H H 661 8.554 8.554 7.966 0.588 18694 435 1 . 1 1 662 662 LYS N N 662 119.532 119.532 120.167 -0.635 18694 436 1 . 1 1 662 662 LYS HA H 662 3.961 3.961 3.900 0.061 18694 437 1 . 1 1 662 662 LYS C C 662 178.745 178.745 178.904 -0.159 18694 438 1 . 1 1 662 662 LYS CA C 662 58.521 58.521 59.268 -0.747 18694 439 1 . 1 1 662 662 LYS CB C 662 31.622 31.622 31.983 -0.361 18694 440 1 . 1 1 662 662 LYS H H 662 8.110 8.110 7.993 0.117 18694 441 1 . 1 1 663 663 GLU N N 663 121.313 121.313 119.727 1.586 18694 442 1 . 1 1 663 663 GLU HA H 663 4.021 4.021 4.030 -0.009 18694 443 1 . 1 1 663 663 GLU C C 663 179.429 179.429 179.177 0.252 18694 444 1 . 1 1 663 663 GLU CA C 663 59.493 59.493 59.237 0.256 18694 445 1 . 1 1 663 663 GLU CB C 663 29.164 29.164 29.351 -0.187 18694 446 1 . 1 1 663 663 GLU H H 663 8.011 8.011 7.848 0.163 18694 447 1 . 1 1 664 664 LEU N N 664 119.460 119.460 119.726 -0.265 18694 448 1 . 1 1 664 664 LEU HA H 664 3.918 3.918 3.928 -0.010 18694 449 1 . 1 1 664 664 LEU C C 664 178.785 178.785 179.204 -0.419 18694 450 1 . 1 1 664 664 LEU CA C 664 58.174 58.174 58.050 0.124 18694 451 1 . 1 1 664 664 LEU CB C 664 41.905 41.905 41.561 0.344 18694 452 1 . 1 1 664 664 LEU H H 664 8.342 8.342 8.339 0.003 18694 453 1 . 1 1 665 665 GLU N N 665 118.822 118.822 118.776 0.046 18694 454 1 . 1 1 665 665 GLU HA H 665 3.973 3.973 3.953 0.020 18694 455 1 . 1 1 665 665 GLU C C 665 179.161 179.161 179.049 0.112 18694 456 1 . 1 1 665 665 GLU CA C 665 58.815 58.815 59.311 -0.496 18694 457 1 . 1 1 665 665 GLU CB C 665 29.133 29.133 29.259 -0.126 18694 458 1 . 1 1 665 665 GLU H H 665 8.018 8.018 7.917 0.101 18694 459 1 . 1 1 666 666 GLU N N 666 118.722 118.722 119.553 -0.831 18694 460 1 . 1 1 666 666 GLU HA H 666 3.972 3.972 4.036 -0.064 18694 461 1 . 1 1 666 666 GLU C C 666 179.536 179.536 179.108 0.428 18694 462 1 . 1 1 666 666 GLU CA C 666 58.910 58.910 59.068 -0.158 18694 463 1 . 1 1 666 666 GLU CB C 666 28.881 28.881 29.508 -0.627 18694 464 1 . 1 1 666 666 GLU H H 666 8.014 8.014 8.139 -0.125 18694 465 1 . 1 1 667 667 LYS N N 667 119.177 119.177 118.303 0.874 18694 466 1 . 1 1 667 667 LYS HA H 667 4.141 4.141 4.054 0.087 18694 467 1 . 1 1 667 667 LYS C C 667 179.425 179.425 179.091 0.334 18694 468 1 . 1 1 667 667 LYS CA C 667 57.383 57.383 58.838 -1.455 18694 469 1 . 1 1 667 667 LYS CB C 667 32.005 32.005 32.100 -0.095 18694 470 1 . 1 1 667 667 LYS H H 667 8.056 8.056 8.234 -0.178 18694 471 1 . 1 1 668 668 ARG N N 668 119.491 119.491 118.405 1.086 18694 472 1 . 1 1 668 668 ARG HA H 668 3.959 3.959 4.202 -0.243 18694 473 1 . 1 1 668 668 ARG C C 668 178.260 178.260 178.069 0.191 18694 474 1 . 1 1 668 668 ARG CA C 668 58.964 58.964 57.813 1.150 18694 475 1 . 1 1 668 668 ARG CB C 668 30.211 30.211 29.883 0.328 18694 476 1 . 1 1 668 668 ARG H H 668 8.218 8.218 7.804 0.415 18694 477 1 . 1 1 669 669 ARG N N 669 117.972 117.972 119.131 -1.159 18694 478 1 . 1 1 669 669 ARG HA H 669 4.170 4.170 4.139 0.031 18694 479 1 . 1 1 669 669 ARG C C 669 177.325 177.325 177.480 -0.155 18694 480 1 . 1 1 669 669 ARG CA C 669 57.551 57.551 58.424 -0.873 18694 481 1 . 1 1 669 669 ARG CB C 669 30.109 30.109 30.114 -0.005 18694 482 1 . 1 1 669 669 ARG H H 669 7.793 7.793 7.812 -0.019 18694 483 1 . 1 1 670 670 SER N N 670 114.336 114.336 112.360 1.976 18694 484 1 . 1 1 670 670 SER HA H 670 4.410 4.410 4.456 -0.046 18694 485 1 . 1 1 670 670 SER C C 670 174.266 174.266 174.390 -0.124 18694 486 1 . 1 1 670 670 SER CA C 670 58.946 58.946 58.432 0.514 18694 487 1 . 1 1 670 670 SER CB C 670 63.814 63.814 64.205 -0.391 18694 488 1 . 1 1 670 670 SER H H 670 7.794 7.794 7.705 0.089 18694 489 1 . 1 1 671 671 ARG N N 671 122.062 122.062 121.351 0.711 18694 490 1 . 1 1 671 671 ARG HA H 671 4.347 4.347 4.212 0.135 18694 491 1 . 1 1 671 671 ARG C C 671 175.272 175.272 174.981 0.291 18694 492 1 . 1 1 671 671 ARG CA C 671 56.121 56.121 56.416 -0.295 18694 493 1 . 1 1 671 671 ARG CB C 671 30.507 30.507 29.669 0.838 18694 494 1 . 1 1 671 671 ARG H H 671 7.740 7.740 7.601 0.139 18694 stop_ save_