data_25722 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25722 _Entry.PDB_ID 2N5M 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 25722 _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 1 628 628 GLY N N 628 113.006 113.006 107.555 5.451 25722 2 1 1 . 1 1 628 628 GLY H H 628 8.727 8.727 8.135 0.592 25722 3 1 1 . 1 1 629 629 ILE N N 629 122.730 122.730 117.000 5.730 25722 4 1 1 . 1 1 629 629 ILE HA H 629 4.248 4.248 3.641 0.607 25722 5 1 1 . 1 1 629 629 ILE H H 629 8.560 8.560 7.875 0.685 25722 6 1 1 . 1 1 630 630 ARG N N 630 119.880 119.880 123.873 -3.993 25722 7 1 1 . 1 1 630 630 ARG H H 630 8.029 8.029 8.087 -0.058 25722 8 1 1 . 1 1 631 631 LYS N N 631 119.040 119.040 123.510 -4.470 25722 9 1 1 . 1 1 631 631 LYS H H 631 8.664 8.664 8.397 0.267 25722 10 1 1 . 1 1 632 632 THR N N 632 109.950 109.950 115.268 -5.318 25722 11 1 1 . 1 1 632 632 THR H H 632 8.376 8.376 8.617 -0.241 25722 12 1 1 . 1 1 633 633 ARG N N 633 120.950 120.950 120.251 0.699 25722 13 1 1 . 1 1 633 633 ARG HA H 633 3.680 3.680 3.978 -0.298 25722 14 1 1 . 1 1 633 633 ARG H H 633 8.017 8.017 8.611 -0.594 25722 15 1 1 . 1 1 634 634 GLU N N 634 118.201 118.201 117.515 0.686 25722 16 1 1 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.100 -0.020 25722 17 1 1 . 1 1 634 634 GLU H H 634 7.260 7.260 7.852 -0.592 25722 18 1 1 . 1 1 635 635 THR N N 635 115.274 115.274 114.845 0.429 25722 19 1 1 . 1 1 635 635 THR H H 635 8.137 8.137 8.245 -0.108 25722 20 1 1 . 1 1 636 636 GLU N N 636 115.301 115.301 120.488 -5.187 25722 21 1 1 . 1 1 636 636 GLU HA H 636 4.108 4.108 3.733 0.375 25722 22 1 1 . 1 1 636 636 GLU H H 636 8.274 8.274 8.172 0.102 25722 23 1 1 . 1 1 637 637 ARG N N 637 120.174 120.174 119.391 0.783 25722 24 1 1 . 1 1 637 637 ARG HA H 637 3.759 3.759 3.911 -0.152 25722 25 1 1 . 1 1 637 637 ARG H H 637 7.810 7.810 7.975 -0.165 25722 26 1 1 . 1 1 638 638 LEU N N 638 120.658 120.658 119.281 1.377 25722 27 1 1 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.115 -0.665 25722 28 1 1 . 1 1 638 638 LEU H H 638 8.170 8.170 7.590 0.580 25722 29 1 1 . 1 1 639 639 ARG N N 639 116.325 116.325 117.432 -1.107 25722 30 1 1 . 1 1 639 639 ARG HA H 639 3.924 3.924 3.805 0.119 25722 31 1 1 . 1 1 639 639 ARG H H 639 7.510 7.510 7.192 0.318 25722 32 1 1 . 1 1 640 640 ARG N N 640 117.904 117.904 117.255 0.649 25722 33 1 1 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.084 -0.069 25722 34 1 1 . 1 1 640 640 ARG H H 640 7.925 7.925 8.091 -0.166 25722 35 1 1 . 1 1 641 641 GLN N N 641 118.203 118.203 113.327 4.876 25722 36 1 1 . 1 1 641 641 GLN H H 641 8.682 8.682 8.202 0.480 25722 37 1 1 . 1 1 643 643 LEU N N 643 119.140 119.140 119.222 -0.082 25722 38 1 1 . 1 1 643 643 LEU H H 643 7.139 7.139 7.994 -0.855 25722 39 1 1 . 1 1 644 644 GLU N N 644 120.140 120.140 121.342 -1.202 25722 40 1 1 . 1 1 644 644 GLU H H 644 8.849 8.849 8.619 0.230 25722 41 1 1 . 1 1 645 645 VAL N N 645 119.330 119.330 122.053 -2.723 25722 42 1 1 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.812 0.182 25722 43 1 1 . 1 1 645 645 VAL H H 645 7.986 7.986 7.833 0.153 25722 44 1 1 . 1 1 646 646 PHE N N 646 115.458 115.458 119.190 -3.732 25722 45 1 1 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.447 -0.046 25722 46 1 1 . 1 1 646 646 PHE H H 646 8.027 8.027 8.118 -0.091 25722 47 1 1 . 1 1 647 647 TRP N N 647 120.228 120.228 120.824 -0.596 25722 48 1 1 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.544 0.036 25722 49 1 1 . 1 1 647 647 TRP H H 647 7.070 7.070 8.624 -1.554 25722 50 1 1 . 1 1 648 648 GLY N N 648 108.000 108.000 103.818 4.182 25722 51 1 1 . 1 1 648 648 GLY H H 648 8.245 8.245 8.373 -0.128 25722 52 1 1 . 1 1 649 649 GLN N N 649 119.516 119.516 120.884 -1.368 25722 53 1 1 . 1 1 649 649 GLN H H 649 7.682 7.682 7.568 0.114 25722 54 1 1 . 1 1 650 650 ASP N N 650 114.599 114.599 124.676 -10.077 25722 55 1 1 . 1 1 650 650 ASP H H 650 7.880 7.880 8.863 -0.983 25722 56 1 1 . 1 1 651 651 HIS N N 651 126.820 126.820 117.523 9.297 25722 57 1 1 . 1 1 651 651 HIS H H 651 8.968 8.968 8.380 0.588 25722 58 1 1 . 1 1 652 652 LYS N N 652 119.747 119.747 119.814 -0.067 25722 59 1 1 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.091 -0.066 25722 60 1 1 . 1 1 653 653 VAL N N 653 120.591 120.591 119.973 0.618 25722 61 1 1 . 1 1 653 653 VAL HA H 653 3.810 3.810 4.193 -0.383 25722 62 1 1 . 1 1 653 653 VAL H H 653 8.290 8.290 8.231 0.059 25722 63 1 1 . 1 1 654 654 ASP N N 654 119.962 119.962 118.757 1.205 25722 64 1 1 . 1 1 654 654 ASP HA H 654 3.994 3.994 3.881 0.113 25722 65 1 1 . 1 1 654 654 ASP H H 654 7.886 7.886 8.291 -0.405 25722 66 1 1 . 1 1 655 655 PHE N N 655 123.205 123.205 119.944 3.261 25722 67 1 1 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.075 0.385 25722 68 1 1 . 1 1 655 655 PHE H H 655 8.357 8.357 7.293 1.064 25722 69 1 1 . 1 1 656 656 ILE N N 656 122.329 122.329 116.930 5.399 25722 70 1 1 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.712 0.418 25722 71 1 1 . 1 1 656 656 ILE H H 656 7.150 7.150 8.459 -1.309 25722 72 1 1 . 1 1 657 657 LEU N N 657 123.105 123.105 119.921 3.184 25722 73 1 1 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.115 0.287 25722 74 1 1 . 1 1 657 657 LEU H H 657 9.010 9.010 7.379 1.631 25722 75 1 1 . 1 1 658 658 GLN N N 658 114.550 114.550 116.723 -2.173 25722 76 1 1 . 1 1 658 658 GLN H H 658 6.964 6.964 7.757 -0.793 25722 77 1 1 . 1 1 659 659 ARG N N 659 116.034 116.034 118.740 -2.706 25722 78 1 1 . 1 1 659 659 ARG H H 659 7.479 7.479 7.347 0.132 25722 79 1 1 . 1 1 660 660 GLU N N 660 117.630 117.630 119.506 -1.876 25722 80 1 1 . 1 1 660 660 GLU H H 660 8.835 8.835 8.641 0.194 25722 81 1 1 . 1 1 662 662 TYR N N 662 119.800 119.800 120.411 -0.611 25722 82 1 1 . 1 1 662 662 TYR H H 662 8.221 8.221 8.238 -0.017 25722 83 1 1 . 1 1 663 663 CYS N N 663 118.319 118.319 118.323 -0.004 25722 84 1 1 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.947 0.383 25722 85 1 1 . 1 1 663 663 CYS H H 663 8.233 8.233 7.586 0.647 25722 86 1 1 . 1 1 664 664 ARG N N 664 114.391 114.391 118.695 -4.304 25722 87 1 1 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.469 -0.383 25722 88 1 1 . 1 1 664 664 ARG H H 664 7.268 7.268 7.946 -0.678 25722 89 1 1 . 1 1 665 665 ASP N N 665 122.897 122.897 118.736 4.161 25722 90 1 1 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.339 0.251 25722 91 1 1 . 1 1 665 665 ASP H H 665 8.620 8.620 7.634 0.986 25722 92 1 1 . 1 1 666 666 ILE N N 666 116.620 116.620 118.534 -1.914 25722 93 1 1 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.726 0.084 25722 94 1 1 . 1 1 666 666 ILE H H 666 6.976 6.976 7.157 -0.181 25722 95 1 1 . 1 1 667 667 ASN N N 667 124.762 124.762 119.425 5.337 25722 96 1 1 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.435 -0.115 25722 97 1 1 . 1 1 667 667 ASN H H 667 7.397 7.397 7.682 -0.285 25722 98 1 1 . 1 1 668 668 GLN N N 668 114.391 114.391 119.437 -5.046 25722 99 1 1 . 1 1 668 668 GLN HA H 668 4.933 4.933 3.806 1.127 25722 100 1 1 . 1 1 668 668 GLN H H 668 7.267 7.267 7.334 -0.067 25722 101 1 1 . 1 1 669 669 LEU N N 669 121.387 121.387 121.107 0.280 25722 102 1 1 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.879 -0.519 25722 103 1 1 . 1 1 669 669 LEU H H 669 8.309 8.309 7.544 0.765 25722 104 1 1 . 1 1 670 670 SER N N 670 112.305 112.305 112.474 -0.169 25722 105 1 1 . 1 1 670 670 SER HA H 670 4.304 4.304 4.245 0.059 25722 106 1 1 . 1 1 670 670 SER H H 670 7.448 7.448 8.515 -1.067 25722 107 1 1 . 1 1 671 671 GLU N N 671 120.749 120.749 121.185 -0.436 25722 108 1 1 . 1 1 671 671 GLU HA H 671 4.011 4.011 4.318 -0.307 25722 109 1 1 . 1 1 671 671 GLU H H 671 7.831 7.831 8.840 -1.009 25722 110 1 1 . 1 1 672 672 ALA N N 672 119.688 119.688 123.172 -3.484 25722 111 1 1 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.413 -0.329 25722 112 1 1 . 1 1 672 672 ALA H H 672 7.728 7.728 8.255 -0.527 25722 113 1 1 . 1 1 673 673 LEU N N 673 119.258 119.258 119.533 -0.275 25722 114 1 1 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.181 -0.811 25722 115 1 1 . 1 1 673 673 LEU H H 673 8.166 8.166 8.580 -0.414 25722 116 1 1 . 1 1 674 674 LEU N N 674 121.499 121.499 119.618 1.881 25722 117 1 1 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.220 -0.394 25722 118 1 1 . 1 1 674 674 LEU H H 674 7.780 7.780 7.580 0.200 25722 119 1 1 . 1 1 675 675 SER N N 675 109.742 109.742 115.457 -5.715 25722 120 1 1 . 1 1 675 675 SER HA H 675 4.694 4.694 4.324 0.370 25722 121 1 1 . 1 1 675 675 SER H H 675 8.277 8.277 8.544 -0.267 25722 122 1 1 . 1 1 676 676 LEU N N 676 121.811 121.811 122.223 -0.412 25722 123 1 1 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.191 -0.146 25722 124 1 1 . 1 1 676 676 LEU H H 676 7.780 7.780 7.862 -0.081 25722 125 1 1 . 1 1 677 677 ASN N N 677 122.526 122.526 117.038 5.488 25722 126 1 1 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.548 0.257 25722 127 1 1 . 1 1 677 677 ASN H H 677 7.710 7.710 7.739 -0.029 25722 128 1 2 . 1 1 628 628 GLY N N 628 113.006 113.006 109.645 3.361 25722 129 1 2 . 1 1 628 628 GLY H H 628 8.727 8.727 8.200 0.527 25722 130 1 2 . 1 1 629 629 ILE N N 629 122.730 122.730 120.462 2.268 25722 131 1 2 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.256 -0.008 25722 132 1 2 . 1 1 629 629 ILE H H 629 8.560 8.560 8.213 0.347 25722 133 1 2 . 1 1 630 630 ARG N N 630 119.880 119.880 120.155 -0.275 25722 134 1 2 . 1 1 630 630 ARG H H 630 8.029 8.029 8.091 -0.062 25722 135 1 2 . 1 1 631 631 LYS N N 631 119.040 119.040 119.217 -0.177 25722 136 1 2 . 1 1 631 631 LYS H H 631 8.664 8.664 8.511 0.153 25722 137 1 2 . 1 1 632 632 THR N N 632 109.950 109.950 114.268 -4.318 25722 138 1 2 . 1 1 632 632 THR H H 632 8.376 8.376 8.137 0.239 25722 139 1 2 . 1 1 633 633 ARG N N 633 120.950 120.950 120.866 0.084 25722 140 1 2 . 1 1 633 633 ARG HA H 633 3.680 3.680 4.005 -0.325 25722 141 1 2 . 1 1 633 633 ARG H H 633 8.017 8.017 8.511 -0.494 25722 142 1 2 . 1 1 634 634 GLU N N 634 118.201 118.201 116.269 1.932 25722 143 1 2 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.268 -0.188 25722 144 1 2 . 1 1 634 634 GLU H H 634 7.260 7.260 8.200 -0.940 25722 145 1 2 . 1 1 635 635 THR N N 635 115.274 115.274 115.262 0.012 25722 146 1 2 . 1 1 635 635 THR H H 635 8.137 8.137 7.674 0.463 25722 147 1 2 . 1 1 636 636 GLU N N 636 115.301 115.301 120.164 -4.863 25722 148 1 2 . 1 1 636 636 GLU HA H 636 4.108 4.108 4.128 -0.020 25722 149 1 2 . 1 1 636 636 GLU H H 636 8.274 8.274 8.204 0.070 25722 150 1 2 . 1 1 637 637 ARG N N 637 120.174 120.174 119.844 0.330 25722 151 1 2 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.132 -0.373 25722 152 1 2 . 1 1 637 637 ARG H H 637 7.810 7.810 7.760 0.050 25722 153 1 2 . 1 1 638 638 LEU N N 638 120.658 120.658 118.949 1.709 25722 154 1 2 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.259 -0.809 25722 155 1 2 . 1 1 638 638 LEU H H 638 8.170 8.170 7.561 0.609 25722 156 1 2 . 1 1 639 639 ARG N N 639 116.325 116.325 117.059 -0.734 25722 157 1 2 . 1 1 639 639 ARG HA H 639 3.924 3.924 4.078 -0.154 25722 158 1 2 . 1 1 639 639 ARG H H 639 7.510 7.510 7.680 -0.170 25722 159 1 2 . 1 1 640 640 ARG N N 640 117.904 117.904 118.006 -0.102 25722 160 1 2 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.172 -0.157 25722 161 1 2 . 1 1 640 640 ARG H H 640 7.925 7.925 8.292 -0.367 25722 162 1 2 . 1 1 641 641 GLN N N 641 118.203 118.203 113.889 4.314 25722 163 1 2 . 1 1 641 641 GLN H H 641 8.682 8.682 7.905 0.777 25722 164 1 2 . 1 1 643 643 LEU N N 643 119.140 119.140 120.187 -1.047 25722 165 1 2 . 1 1 643 643 LEU H H 643 7.139 7.139 8.048 -0.909 25722 166 1 2 . 1 1 644 644 GLU N N 644 120.140 120.140 123.504 -3.364 25722 167 1 2 . 1 1 644 644 GLU H H 644 8.849 8.849 8.627 0.222 25722 168 1 2 . 1 1 645 645 VAL N N 645 119.330 119.330 123.167 -3.837 25722 169 1 2 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.728 0.266 25722 170 1 2 . 1 1 645 645 VAL H H 645 7.986 7.986 7.887 0.099 25722 171 1 2 . 1 1 646 646 PHE N N 646 115.458 115.458 119.262 -3.804 25722 172 1 2 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.232 0.169 25722 173 1 2 . 1 1 646 646 PHE H H 646 8.027 8.027 7.776 0.251 25722 174 1 2 . 1 1 647 647 TRP N N 647 120.228 120.228 121.158 -0.930 25722 175 1 2 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.694 -0.114 25722 176 1 2 . 1 1 647 647 TRP H H 647 7.070 7.070 8.474 -1.404 25722 177 1 2 . 1 1 648 648 GLY N N 648 108.000 108.000 104.333 3.667 25722 178 1 2 . 1 1 648 648 GLY H H 648 8.245 8.245 8.147 0.098 25722 179 1 2 . 1 1 649 649 GLN N N 649 119.516 119.516 121.029 -1.513 25722 180 1 2 . 1 1 649 649 GLN H H 649 7.682 7.682 7.170 0.512 25722 181 1 2 . 1 1 650 650 ASP N N 650 114.599 114.599 125.092 -10.493 25722 182 1 2 . 1 1 650 650 ASP H H 650 7.880 7.880 8.749 -0.869 25722 183 1 2 . 1 1 651 651 HIS N N 651 126.820 126.820 118.328 8.492 25722 184 1 2 . 1 1 651 651 HIS H H 651 8.968 8.968 8.406 0.562 25722 185 1 2 . 1 1 652 652 LYS N N 652 119.747 119.747 117.867 1.880 25722 186 1 2 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.119 -0.094 25722 187 1 2 . 1 1 653 653 VAL N N 653 120.591 120.591 116.531 4.060 25722 188 1 2 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.661 0.149 25722 189 1 2 . 1 1 653 653 VAL H H 653 8.290 8.290 7.780 0.510 25722 190 1 2 . 1 1 654 654 ASP N N 654 119.962 119.962 119.038 0.924 25722 191 1 2 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.771 -0.777 25722 192 1 2 . 1 1 654 654 ASP H H 654 7.886 7.886 8.332 -0.446 25722 193 1 2 . 1 1 655 655 PHE N N 655 123.205 123.205 119.649 3.556 25722 194 1 2 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.254 0.206 25722 195 1 2 . 1 1 655 655 PHE H H 655 8.357 8.357 7.441 0.916 25722 196 1 2 . 1 1 656 656 ILE N N 656 122.329 122.329 117.932 4.397 25722 197 1 2 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.901 0.229 25722 198 1 2 . 1 1 656 656 ILE H H 656 7.150 7.150 8.486 -1.335 25722 199 1 2 . 1 1 657 657 LEU N N 657 123.105 123.105 119.435 3.670 25722 200 1 2 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.219 0.183 25722 201 1 2 . 1 1 657 657 LEU H H 657 9.010 9.010 7.656 1.354 25722 202 1 2 . 1 1 658 658 GLN N N 658 114.550 114.550 117.754 -3.204 25722 203 1 2 . 1 1 658 658 GLN H H 658 6.964 6.964 8.079 -1.115 25722 204 1 2 . 1 1 659 659 ARG N N 659 116.034 116.034 118.666 -2.632 25722 205 1 2 . 1 1 659 659 ARG H H 659 7.479 7.479 8.269 -0.790 25722 206 1 2 . 1 1 660 660 GLU N N 660 117.630 117.630 117.126 0.504 25722 207 1 2 . 1 1 660 660 GLU H H 660 8.835 8.835 8.575 0.260 25722 208 1 2 . 1 1 662 662 TYR N N 662 119.800 119.800 118.514 1.286 25722 209 1 2 . 1 1 662 662 TYR H H 662 8.221 8.221 8.480 -0.259 25722 210 1 2 . 1 1 663 663 CYS N N 663 118.319 118.319 117.028 1.291 25722 211 1 2 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.929 0.401 25722 212 1 2 . 1 1 663 663 CYS H H 663 8.233 8.233 8.323 -0.090 25722 213 1 2 . 1 1 664 664 ARG N N 664 114.391 114.391 120.291 -5.900 25722 214 1 2 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.014 0.072 25722 215 1 2 . 1 1 664 664 ARG H H 664 7.268 7.268 8.005 -0.737 25722 216 1 2 . 1 1 665 665 ASP N N 665 122.897 122.897 119.334 3.563 25722 217 1 2 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.392 0.198 25722 218 1 2 . 1 1 665 665 ASP H H 665 8.620 8.620 7.627 0.993 25722 219 1 2 . 1 1 666 666 ILE N N 666 116.620 116.620 118.467 -1.847 25722 220 1 2 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.718 0.092 25722 221 1 2 . 1 1 666 666 ILE H H 666 6.976 6.976 7.457 -0.481 25722 222 1 2 . 1 1 667 667 ASN N N 667 124.762 124.762 119.210 5.552 25722 223 1 2 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.328 -0.008 25722 224 1 2 . 1 1 667 667 ASN H H 667 7.397 7.397 7.701 -0.304 25722 225 1 2 . 1 1 668 668 GLN N N 668 114.391 114.391 119.388 -4.997 25722 226 1 2 . 1 1 668 668 GLN HA H 668 4.933 4.933 3.799 1.134 25722 227 1 2 . 1 1 668 668 GLN H H 668 7.267 7.267 7.621 -0.354 25722 228 1 2 . 1 1 669 669 LEU N N 669 121.387 121.387 120.751 0.636 25722 229 1 2 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.855 -0.495 25722 230 1 2 . 1 1 669 669 LEU H H 669 8.309 8.309 7.554 0.755 25722 231 1 2 . 1 1 670 670 SER N N 670 112.305 112.305 112.220 0.085 25722 232 1 2 . 1 1 670 670 SER HA H 670 4.304 4.304 4.063 0.241 25722 233 1 2 . 1 1 670 670 SER H H 670 7.448 7.448 8.493 -1.045 25722 234 1 2 . 1 1 671 671 GLU N N 671 120.749 120.749 120.702 0.047 25722 235 1 2 . 1 1 671 671 GLU HA H 671 4.011 4.011 3.995 0.016 25722 236 1 2 . 1 1 671 671 GLU H H 671 7.831 7.831 7.292 0.539 25722 237 1 2 . 1 1 672 672 ALA N N 672 119.688 119.688 121.811 -2.123 25722 238 1 2 . 1 1 672 672 ALA HA H 672 4.084 4.084 3.546 0.538 25722 239 1 2 . 1 1 672 672 ALA H H 672 7.728 7.728 6.550 1.178 25722 240 1 2 . 1 1 673 673 LEU N N 673 119.258 119.258 119.072 0.186 25722 241 1 2 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.060 -0.690 25722 242 1 2 . 1 1 673 673 LEU H H 673 8.166 8.166 8.196 -0.030 25722 243 1 2 . 1 1 674 674 LEU N N 674 121.499 121.499 119.116 2.383 25722 244 1 2 . 1 1 674 674 LEU HA H 674 3.826 3.826 3.983 -0.157 25722 245 1 2 . 1 1 674 674 LEU H H 674 7.780 7.780 7.445 0.335 25722 246 1 2 . 1 1 675 675 SER N N 675 109.742 109.742 114.773 -5.031 25722 247 1 2 . 1 1 675 675 SER HA H 675 4.694 4.694 4.257 0.437 25722 248 1 2 . 1 1 675 675 SER H H 675 8.277 8.277 8.408 -0.131 25722 249 1 2 . 1 1 676 676 LEU N N 676 121.811 121.811 121.289 0.522 25722 250 1 2 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.163 -0.118 25722 251 1 2 . 1 1 676 676 LEU H H 676 7.780 7.780 7.668 0.112 25722 252 1 2 . 1 1 677 677 ASN N N 677 122.526 122.526 116.851 5.675 25722 253 1 2 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.607 0.198 25722 254 1 2 . 1 1 677 677 ASN H H 677 7.710 7.710 7.657 0.053 25722 255 1 3 . 1 1 628 628 GLY N N 628 113.006 113.006 108.103 4.903 25722 256 1 3 . 1 1 628 628 GLY H H 628 8.727 8.727 8.275 0.452 25722 257 1 3 . 1 1 629 629 ILE N N 629 122.730 122.730 116.425 6.305 25722 258 1 3 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.548 -0.300 25722 259 1 3 . 1 1 629 629 ILE H H 629 8.560 8.560 8.106 0.454 25722 260 1 3 . 1 1 630 630 ARG N N 630 119.880 119.880 119.846 0.034 25722 261 1 3 . 1 1 630 630 ARG H H 630 8.029 8.029 7.959 0.070 25722 262 1 3 . 1 1 631 631 LYS N N 631 119.040 119.040 116.142 2.898 25722 263 1 3 . 1 1 631 631 LYS H H 631 8.664 8.664 8.296 0.368 25722 264 1 3 . 1 1 632 632 THR N N 632 109.950 109.950 113.163 -3.213 25722 265 1 3 . 1 1 632 632 THR H H 632 8.376 8.376 8.220 0.156 25722 266 1 3 . 1 1 633 633 ARG N N 633 120.950 120.950 118.942 2.008 25722 267 1 3 . 1 1 633 633 ARG HA H 633 3.680 3.680 3.982 -0.302 25722 268 1 3 . 1 1 633 633 ARG H H 633 8.017 8.017 8.450 -0.433 25722 269 1 3 . 1 1 634 634 GLU N N 634 118.201 118.201 116.839 1.362 25722 270 1 3 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.215 -0.135 25722 271 1 3 . 1 1 634 634 GLU H H 634 7.260 7.260 8.187 -0.927 25722 272 1 3 . 1 1 635 635 THR N N 635 115.274 115.274 115.537 -0.263 25722 273 1 3 . 1 1 635 635 THR H H 635 8.137 8.137 7.554 0.583 25722 274 1 3 . 1 1 636 636 GLU N N 636 115.301 115.301 120.377 -5.076 25722 275 1 3 . 1 1 636 636 GLU HA H 636 4.108 4.108 3.864 0.244 25722 276 1 3 . 1 1 636 636 GLU H H 636 8.274 8.274 7.954 0.320 25722 277 1 3 . 1 1 637 637 ARG N N 637 120.174 120.174 120.459 -0.285 25722 278 1 3 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.234 -0.475 25722 279 1 3 . 1 1 637 637 ARG H H 637 7.810 7.810 7.542 0.268 25722 280 1 3 . 1 1 638 638 LEU N N 638 120.658 120.658 121.851 -1.193 25722 281 1 3 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.523 -1.073 25722 282 1 3 . 1 1 638 638 LEU H H 638 8.170 8.170 7.783 0.387 25722 283 1 3 . 1 1 639 639 ARG N N 639 116.325 116.325 117.358 -1.033 25722 284 1 3 . 1 1 639 639 ARG HA H 639 3.924 3.924 4.105 -0.181 25722 285 1 3 . 1 1 639 639 ARG H H 639 7.510 7.510 7.788 -0.278 25722 286 1 3 . 1 1 640 640 ARG N N 640 117.904 117.904 118.008 -0.104 25722 287 1 3 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.098 -0.083 25722 288 1 3 . 1 1 640 640 ARG H H 640 7.925 7.925 7.582 0.343 25722 289 1 3 . 1 1 641 641 GLN N N 641 118.203 118.203 117.657 0.546 25722 290 1 3 . 1 1 641 641 GLN H H 641 8.682 8.682 7.730 0.952 25722 291 1 3 . 1 1 643 643 LEU N N 643 119.140 119.140 120.389 -1.249 25722 292 1 3 . 1 1 643 643 LEU H H 643 7.139 7.139 7.675 -0.536 25722 293 1 3 . 1 1 644 644 GLU N N 644 120.140 120.140 125.783 -5.643 25722 294 1 3 . 1 1 644 644 GLU H H 644 8.849 8.849 8.553 0.296 25722 295 1 3 . 1 1 645 645 VAL N N 645 119.330 119.330 124.942 -5.612 25722 296 1 3 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.766 0.228 25722 297 1 3 . 1 1 645 645 VAL H H 645 7.986 7.986 8.256 -0.270 25722 298 1 3 . 1 1 646 646 PHE N N 646 115.458 115.458 118.708 -3.250 25722 299 1 3 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.388 0.013 25722 300 1 3 . 1 1 646 646 PHE H H 646 8.027 8.027 7.909 0.118 25722 301 1 3 . 1 1 647 647 TRP N N 647 120.228 120.228 120.339 -0.111 25722 302 1 3 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.713 -0.133 25722 303 1 3 . 1 1 647 647 TRP H H 647 7.070 7.070 7.898 -0.828 25722 304 1 3 . 1 1 648 648 GLY N N 648 108.000 108.000 102.480 5.520 25722 305 1 3 . 1 1 648 648 GLY H H 648 8.245 8.245 8.214 0.031 25722 306 1 3 . 1 1 649 649 GLN N N 649 119.516 119.516 119.389 0.127 25722 307 1 3 . 1 1 649 649 GLN H H 649 7.682 7.682 7.826 -0.144 25722 308 1 3 . 1 1 650 650 ASP N N 650 114.599 114.599 114.599 0.000 25722 309 1 3 . 1 1 650 650 ASP H H 650 7.880 7.880 8.028 -0.148 25722 310 1 3 . 1 1 651 651 HIS N N 651 126.820 126.820 119.806 7.014 25722 311 1 3 . 1 1 651 651 HIS H H 651 8.968 8.968 8.474 0.494 25722 312 1 3 . 1 1 652 652 LYS N N 652 119.747 119.747 118.836 0.911 25722 313 1 3 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.031 -0.006 25722 314 1 3 . 1 1 653 653 VAL N N 653 120.591 120.591 115.353 5.238 25722 315 1 3 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.913 -0.103 25722 316 1 3 . 1 1 653 653 VAL H H 653 8.290 8.290 7.882 0.408 25722 317 1 3 . 1 1 654 654 ASP N N 654 119.962 119.962 120.104 -0.142 25722 318 1 3 . 1 1 654 654 ASP HA H 654 3.994 3.994 2.384 1.610 25722 319 1 3 . 1 1 654 654 ASP H H 654 7.886 7.886 7.939 -0.053 25722 320 1 3 . 1 1 655 655 PHE N N 655 123.205 123.205 119.167 4.038 25722 321 1 3 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.041 0.419 25722 322 1 3 . 1 1 655 655 PHE H H 655 8.357 8.357 7.190 1.167 25722 323 1 3 . 1 1 656 656 ILE N N 656 122.329 122.329 118.285 4.044 25722 324 1 3 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.744 0.386 25722 325 1 3 . 1 1 656 656 ILE H H 656 7.150 7.150 8.001 -0.851 25722 326 1 3 . 1 1 657 657 LEU N N 657 123.105 123.105 120.085 3.020 25722 327 1 3 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.130 0.272 25722 328 1 3 . 1 1 657 657 LEU H H 657 9.010 9.010 7.761 1.249 25722 329 1 3 . 1 1 658 658 GLN N N 658 114.550 114.550 116.641 -2.091 25722 330 1 3 . 1 1 658 658 GLN H H 658 6.964 6.964 7.621 -0.657 25722 331 1 3 . 1 1 659 659 ARG N N 659 116.034 116.034 118.656 -2.622 25722 332 1 3 . 1 1 659 659 ARG H H 659 7.479 7.479 7.305 0.174 25722 333 1 3 . 1 1 660 660 GLU N N 660 117.630 117.630 118.716 -1.086 25722 334 1 3 . 1 1 660 660 GLU H H 660 8.835 8.835 8.572 0.263 25722 335 1 3 . 1 1 662 662 TYR N N 662 119.800 119.800 120.551 -0.751 25722 336 1 3 . 1 1 662 662 TYR H H 662 8.221 8.221 8.638 -0.417 25722 337 1 3 . 1 1 663 663 CYS N N 663 118.319 118.319 117.126 1.193 25722 338 1 3 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.990 0.340 25722 339 1 3 . 1 1 663 663 CYS H H 663 8.233 8.233 8.480 -0.247 25722 340 1 3 . 1 1 664 664 ARG N N 664 114.391 114.391 119.117 -4.726 25722 341 1 3 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.088 -0.002 25722 342 1 3 . 1 1 664 664 ARG H H 664 7.268 7.268 8.165 -0.897 25722 343 1 3 . 1 1 665 665 ASP N N 665 122.897 122.897 119.587 3.310 25722 344 1 3 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.334 0.256 25722 345 1 3 . 1 1 665 665 ASP H H 665 8.620 8.620 7.751 0.869 25722 346 1 3 . 1 1 666 666 ILE N N 666 116.620 116.620 119.190 -2.570 25722 347 1 3 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.806 0.004 25722 348 1 3 . 1 1 666 666 ILE H H 666 6.976 6.976 7.356 -0.380 25722 349 1 3 . 1 1 667 667 ASN N N 667 124.762 124.762 119.193 5.569 25722 350 1 3 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.390 -0.070 25722 351 1 3 . 1 1 667 667 ASN H H 667 7.397 7.397 7.677 -0.280 25722 352 1 3 . 1 1 668 668 GLN N N 668 114.391 114.391 120.201 -5.810 25722 353 1 3 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.781 0.152 25722 354 1 3 . 1 1 668 668 GLN H H 668 7.267 7.267 7.804 -0.537 25722 355 1 3 . 1 1 669 669 LEU N N 669 121.387 121.387 120.921 0.466 25722 356 1 3 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.885 -0.525 25722 357 1 3 . 1 1 669 669 LEU H H 669 8.309 8.309 7.624 0.685 25722 358 1 3 . 1 1 670 670 SER N N 670 112.305 112.305 112.676 -0.371 25722 359 1 3 . 1 1 670 670 SER HA H 670 4.304 4.304 4.235 0.069 25722 360 1 3 . 1 1 670 670 SER H H 670 7.448 7.448 8.650 -1.202 25722 361 1 3 . 1 1 671 671 GLU N N 671 120.749 120.749 121.561 -0.812 25722 362 1 3 . 1 1 671 671 GLU HA H 671 4.011 4.011 3.898 0.113 25722 363 1 3 . 1 1 671 671 GLU H H 671 7.831 7.831 8.610 -0.779 25722 364 1 3 . 1 1 672 672 ALA N N 672 119.688 119.688 122.627 -2.939 25722 365 1 3 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.116 -0.032 25722 366 1 3 . 1 1 672 672 ALA H H 672 7.728 7.728 7.789 -0.061 25722 367 1 3 . 1 1 673 673 LEU N N 673 119.258 119.258 119.231 0.027 25722 368 1 3 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.120 -0.750 25722 369 1 3 . 1 1 673 673 LEU H H 673 8.166 8.166 8.427 -0.261 25722 370 1 3 . 1 1 674 674 LEU N N 674 121.499 121.499 119.125 2.374 25722 371 1 3 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.157 -0.331 25722 372 1 3 . 1 1 674 674 LEU H H 674 7.780 7.780 7.503 0.277 25722 373 1 3 . 1 1 675 675 SER N N 675 109.742 109.742 114.842 -5.100 25722 374 1 3 . 1 1 675 675 SER HA H 675 4.694 4.694 4.276 0.418 25722 375 1 3 . 1 1 675 675 SER H H 675 8.277 8.277 8.317 -0.040 25722 376 1 3 . 1 1 676 676 LEU N N 676 121.811 121.811 121.581 0.230 25722 377 1 3 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.158 -0.113 25722 378 1 3 . 1 1 676 676 LEU H H 676 7.780 7.780 7.712 0.068 25722 379 1 3 . 1 1 677 677 ASN N N 677 122.526 122.526 116.727 5.799 25722 380 1 3 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.537 0.268 25722 381 1 3 . 1 1 677 677 ASN H H 677 7.710 7.710 7.690 0.020 25722 382 1 4 . 1 1 628 628 GLY N N 628 113.006 113.006 107.752 5.254 25722 383 1 4 . 1 1 628 628 GLY H H 628 8.727 8.727 7.888 0.839 25722 384 1 4 . 1 1 629 629 ILE N N 629 122.730 122.730 117.218 5.512 25722 385 1 4 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.591 -0.343 25722 386 1 4 . 1 1 629 629 ILE H H 629 8.560 8.560 7.947 0.613 25722 387 1 4 . 1 1 630 630 ARG N N 630 119.880 119.880 120.833 -0.953 25722 388 1 4 . 1 1 630 630 ARG H H 630 8.029 8.029 8.537 -0.508 25722 389 1 4 . 1 1 631 631 LYS N N 631 119.040 119.040 118.515 0.525 25722 390 1 4 . 1 1 631 631 LYS H H 631 8.664 8.664 8.243 0.421 25722 391 1 4 . 1 1 632 632 THR N N 632 109.950 109.950 112.446 -2.496 25722 392 1 4 . 1 1 632 632 THR H H 632 8.376 8.376 8.097 0.279 25722 393 1 4 . 1 1 633 633 ARG N N 633 120.950 120.950 122.789 -1.839 25722 394 1 4 . 1 1 633 633 ARG HA H 633 3.680 3.680 4.006 -0.326 25722 395 1 4 . 1 1 633 633 ARG H H 633 8.017 8.017 8.614 -0.597 25722 396 1 4 . 1 1 634 634 GLU N N 634 118.201 118.201 116.976 1.225 25722 397 1 4 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.176 -0.096 25722 398 1 4 . 1 1 634 634 GLU H H 634 7.260 7.260 8.312 -1.052 25722 399 1 4 . 1 1 635 635 THR N N 635 115.274 115.274 114.748 0.526 25722 400 1 4 . 1 1 635 635 THR H H 635 8.137 8.137 7.609 0.528 25722 401 1 4 . 1 1 636 636 GLU N N 636 115.301 115.301 121.724 -6.423 25722 402 1 4 . 1 1 636 636 GLU HA H 636 4.108 4.108 4.445 -0.337 25722 403 1 4 . 1 1 636 636 GLU H H 636 8.274 8.274 8.425 -0.151 25722 404 1 4 . 1 1 637 637 ARG N N 637 120.174 120.174 118.757 1.417 25722 405 1 4 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.089 -0.330 25722 406 1 4 . 1 1 637 637 ARG H H 637 7.810 7.810 7.687 0.123 25722 407 1 4 . 1 1 638 638 LEU N N 638 120.658 120.658 120.775 -0.117 25722 408 1 4 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.067 -0.617 25722 409 1 4 . 1 1 638 638 LEU H H 638 8.170 8.170 8.110 0.060 25722 410 1 4 . 1 1 639 639 ARG N N 639 116.325 116.325 117.420 -1.095 25722 411 1 4 . 1 1 639 639 ARG HA H 639 3.924 3.924 3.825 0.099 25722 412 1 4 . 1 1 639 639 ARG H H 639 7.510 7.510 7.730 -0.220 25722 413 1 4 . 1 1 640 640 ARG N N 640 117.904 117.904 117.663 0.241 25722 414 1 4 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.166 -0.151 25722 415 1 4 . 1 1 640 640 ARG H H 640 7.925 7.925 8.106 -0.181 25722 416 1 4 . 1 1 641 641 GLN N N 641 118.203 118.203 113.353 4.850 25722 417 1 4 . 1 1 641 641 GLN H H 641 8.682 8.682 8.023 0.659 25722 418 1 4 . 1 1 643 643 LEU N N 643 119.140 119.140 119.454 -0.314 25722 419 1 4 . 1 1 643 643 LEU H H 643 7.139 7.139 8.018 -0.879 25722 420 1 4 . 1 1 644 644 GLU N N 644 120.140 120.140 122.705 -2.565 25722 421 1 4 . 1 1 644 644 GLU H H 644 8.849 8.849 8.709 0.140 25722 422 1 4 . 1 1 645 645 VAL N N 645 119.330 119.330 125.246 -5.916 25722 423 1 4 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.785 0.209 25722 424 1 4 . 1 1 645 645 VAL H H 645 7.986 7.986 7.817 0.169 25722 425 1 4 . 1 1 646 646 PHE N N 646 115.458 115.458 118.062 -2.604 25722 426 1 4 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.425 -0.024 25722 427 1 4 . 1 1 646 646 PHE H H 646 8.027 8.027 8.139 -0.112 25722 428 1 4 . 1 1 647 647 TRP N N 647 120.228 120.228 120.437 -0.209 25722 429 1 4 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.500 0.080 25722 430 1 4 . 1 1 647 647 TRP H H 647 7.070 7.070 8.487 -1.417 25722 431 1 4 . 1 1 648 648 GLY N N 648 108.000 108.000 104.680 3.320 25722 432 1 4 . 1 1 648 648 GLY H H 648 8.245 8.245 8.163 0.082 25722 433 1 4 . 1 1 649 649 GLN N N 649 119.516 119.516 118.056 1.460 25722 434 1 4 . 1 1 649 649 GLN H H 649 7.682 7.682 8.480 -0.798 25722 435 1 4 . 1 1 650 650 ASP N N 650 114.599 114.599 115.456 -0.857 25722 436 1 4 . 1 1 650 650 ASP H H 650 7.880 7.880 8.113 -0.233 25722 437 1 4 . 1 1 651 651 HIS N N 651 126.820 126.820 119.933 6.887 25722 438 1 4 . 1 1 651 651 HIS H H 651 8.968 8.968 8.583 0.385 25722 439 1 4 . 1 1 652 652 LYS N N 652 119.747 119.747 117.828 1.919 25722 440 1 4 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.174 -0.149 25722 441 1 4 . 1 1 653 653 VAL N N 653 120.591 120.591 115.425 5.166 25722 442 1 4 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.782 0.028 25722 443 1 4 . 1 1 653 653 VAL H H 653 8.290 8.290 7.578 0.712 25722 444 1 4 . 1 1 654 654 ASP N N 654 119.962 119.962 119.096 0.866 25722 445 1 4 . 1 1 654 654 ASP HA H 654 3.994 3.994 5.129 -1.135 25722 446 1 4 . 1 1 654 654 ASP H H 654 7.886 7.886 8.397 -0.511 25722 447 1 4 . 1 1 655 655 PHE N N 655 123.205 123.205 120.341 2.864 25722 448 1 4 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.246 0.214 25722 449 1 4 . 1 1 655 655 PHE H H 655 8.357 8.357 7.544 0.813 25722 450 1 4 . 1 1 656 656 ILE N N 656 122.329 122.329 117.091 5.238 25722 451 1 4 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.799 0.331 25722 452 1 4 . 1 1 656 656 ILE H H 656 7.150 7.150 8.886 -1.736 25722 453 1 4 . 1 1 657 657 LEU N N 657 123.105 123.105 120.143 2.962 25722 454 1 4 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.320 0.082 25722 455 1 4 . 1 1 657 657 LEU H H 657 9.010 9.010 7.604 1.406 25722 456 1 4 . 1 1 658 658 GLN N N 658 114.550 114.550 117.488 -2.938 25722 457 1 4 . 1 1 658 658 GLN H H 658 6.964 6.964 8.322 -1.358 25722 458 1 4 . 1 1 659 659 ARG N N 659 116.034 116.034 118.873 -2.839 25722 459 1 4 . 1 1 659 659 ARG H H 659 7.479 7.479 7.402 0.077 25722 460 1 4 . 1 1 660 660 GLU N N 660 117.630 117.630 119.498 -1.868 25722 461 1 4 . 1 1 660 660 GLU H H 660 8.835 8.835 8.717 0.118 25722 462 1 4 . 1 1 662 662 TYR N N 662 119.800 119.800 120.733 -0.933 25722 463 1 4 . 1 1 662 662 TYR H H 662 8.221 8.221 8.609 -0.388 25722 464 1 4 . 1 1 663 663 CYS N N 663 118.319 118.319 116.681 1.638 25722 465 1 4 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.953 0.377 25722 466 1 4 . 1 1 663 663 CYS H H 663 8.233 8.233 8.484 -0.251 25722 467 1 4 . 1 1 664 664 ARG N N 664 114.391 114.391 119.424 -5.033 25722 468 1 4 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.166 -0.080 25722 469 1 4 . 1 1 664 664 ARG H H 664 7.268 7.268 8.340 -1.072 25722 470 1 4 . 1 1 665 665 ASP N N 665 122.897 122.897 119.464 3.433 25722 471 1 4 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.365 0.225 25722 472 1 4 . 1 1 665 665 ASP H H 665 8.620 8.620 7.590 1.030 25722 473 1 4 . 1 1 666 666 ILE N N 666 116.620 116.620 119.347 -2.727 25722 474 1 4 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.637 0.173 25722 475 1 4 . 1 1 666 666 ILE H H 666 6.976 6.976 7.363 -0.387 25722 476 1 4 . 1 1 667 667 ASN N N 667 124.762 124.762 118.259 6.503 25722 477 1 4 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.230 0.090 25722 478 1 4 . 1 1 667 667 ASN H H 667 7.397 7.397 7.638 -0.241 25722 479 1 4 . 1 1 668 668 GLN N N 668 114.391 114.391 119.587 -5.196 25722 480 1 4 . 1 1 668 668 GLN HA H 668 4.933 4.933 2.886 2.046 25722 481 1 4 . 1 1 668 668 GLN H H 668 7.267 7.267 7.384 -0.117 25722 482 1 4 . 1 1 669 669 LEU N N 669 121.387 121.387 120.148 1.239 25722 483 1 4 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.866 -0.506 25722 484 1 4 . 1 1 669 669 LEU H H 669 8.309 8.309 7.474 0.835 25722 485 1 4 . 1 1 670 670 SER N N 670 112.305 112.305 113.063 -0.758 25722 486 1 4 . 1 1 670 670 SER HA H 670 4.304 4.304 4.117 0.187 25722 487 1 4 . 1 1 670 670 SER H H 670 7.448 7.448 8.387 -0.939 25722 488 1 4 . 1 1 671 671 GLU N N 671 120.749 120.749 120.274 0.475 25722 489 1 4 . 1 1 671 671 GLU HA H 671 4.011 4.011 4.059 -0.048 25722 490 1 4 . 1 1 671 671 GLU H H 671 7.831 7.831 8.551 -0.720 25722 491 1 4 . 1 1 672 672 ALA N N 672 119.688 119.688 123.763 -4.075 25722 492 1 4 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.270 -0.186 25722 493 1 4 . 1 1 672 672 ALA H H 672 7.728 7.728 6.736 0.992 25722 494 1 4 . 1 1 673 673 LEU N N 673 119.258 119.258 118.279 0.979 25722 495 1 4 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.037 -0.667 25722 496 1 4 . 1 1 673 673 LEU H H 673 8.166 8.166 7.464 0.702 25722 497 1 4 . 1 1 674 674 LEU N N 674 121.499 121.499 119.792 1.707 25722 498 1 4 . 1 1 674 674 LEU HA H 674 3.826 3.826 3.985 -0.159 25722 499 1 4 . 1 1 674 674 LEU H H 674 7.780 7.780 7.497 0.283 25722 500 1 4 . 1 1 675 675 SER N N 675 109.742 109.742 115.307 -5.565 25722 501 1 4 . 1 1 675 675 SER HA H 675 4.694 4.694 4.300 0.394 25722 502 1 4 . 1 1 675 675 SER H H 675 8.277 8.277 8.402 -0.125 25722 503 1 4 . 1 1 676 676 LEU N N 676 121.811 121.811 122.243 -0.432 25722 504 1 4 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.315 -0.270 25722 505 1 4 . 1 1 676 676 LEU H H 676 7.780 7.780 7.967 -0.187 25722 506 1 4 . 1 1 677 677 ASN N N 677 122.526 122.526 116.564 5.962 25722 507 1 4 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.587 0.218 25722 508 1 4 . 1 1 677 677 ASN H H 677 7.710 7.710 7.780 -0.070 25722 509 1 5 . 1 1 628 628 GLY N N 628 113.006 113.006 107.844 5.162 25722 510 1 5 . 1 1 628 628 GLY H H 628 8.727 8.727 8.384 0.343 25722 511 1 5 . 1 1 629 629 ILE N N 629 122.730 122.730 119.472 3.258 25722 512 1 5 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.470 -0.222 25722 513 1 5 . 1 1 629 629 ILE H H 629 8.560 8.560 8.102 0.458 25722 514 1 5 . 1 1 630 630 ARG N N 630 119.880 119.880 127.573 -7.693 25722 515 1 5 . 1 1 630 630 ARG H H 630 8.029 8.029 8.679 -0.650 25722 516 1 5 . 1 1 631 631 LYS N N 631 119.040 119.040 122.066 -3.026 25722 517 1 5 . 1 1 631 631 LYS H H 631 8.664 8.664 8.389 0.275 25722 518 1 5 . 1 1 632 632 THR N N 632 109.950 109.950 113.200 -3.250 25722 519 1 5 . 1 1 632 632 THR H H 632 8.376 8.376 8.481 -0.105 25722 520 1 5 . 1 1 633 633 ARG N N 633 120.950 120.950 121.037 -0.087 25722 521 1 5 . 1 1 633 633 ARG HA H 633 3.680 3.680 3.879 -0.199 25722 522 1 5 . 1 1 633 633 ARG H H 633 8.017 8.017 8.582 -0.565 25722 523 1 5 . 1 1 634 634 GLU N N 634 118.201 118.201 116.565 1.636 25722 524 1 5 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.187 -0.107 25722 525 1 5 . 1 1 634 634 GLU H H 634 7.260 7.260 8.247 -0.987 25722 526 1 5 . 1 1 635 635 THR N N 635 115.274 115.274 115.022 0.252 25722 527 1 5 . 1 1 635 635 THR H H 635 8.137 8.137 7.406 0.731 25722 528 1 5 . 1 1 636 636 GLU N N 636 115.301 115.301 119.657 -4.356 25722 529 1 5 . 1 1 636 636 GLU HA H 636 4.108 4.108 3.844 0.264 25722 530 1 5 . 1 1 636 636 GLU H H 636 8.274 8.274 7.774 0.500 25722 531 1 5 . 1 1 637 637 ARG N N 637 120.174 120.174 120.278 -0.104 25722 532 1 5 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.114 -0.355 25722 533 1 5 . 1 1 637 637 ARG H H 637 7.810 7.810 7.567 0.243 25722 534 1 5 . 1 1 638 638 LEU N N 638 120.658 120.658 120.171 0.487 25722 535 1 5 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.344 -0.894 25722 536 1 5 . 1 1 638 638 LEU H H 638 8.170 8.170 7.901 0.269 25722 537 1 5 . 1 1 639 639 ARG N N 639 116.325 116.325 117.671 -1.346 25722 538 1 5 . 1 1 639 639 ARG HA H 639 3.924 3.924 4.118 -0.194 25722 539 1 5 . 1 1 639 639 ARG H H 639 7.510 7.510 7.429 0.081 25722 540 1 5 . 1 1 640 640 ARG N N 640 117.904 117.904 118.409 -0.505 25722 541 1 5 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.122 -0.107 25722 542 1 5 . 1 1 640 640 ARG H H 640 7.925 7.925 7.759 0.166 25722 543 1 5 . 1 1 641 641 GLN N N 641 118.203 118.203 117.509 0.694 25722 544 1 5 . 1 1 641 641 GLN H H 641 8.682 8.682 7.912 0.770 25722 545 1 5 . 1 1 643 643 LEU N N 643 119.140 119.140 122.635 -3.495 25722 546 1 5 . 1 1 643 643 LEU H H 643 7.139 7.139 7.516 -0.377 25722 547 1 5 . 1 1 644 644 GLU N N 644 120.140 120.140 125.280 -5.140 25722 548 1 5 . 1 1 644 644 GLU H H 644 8.849 8.849 8.306 0.543 25722 549 1 5 . 1 1 645 645 VAL N N 645 119.330 119.330 122.242 -2.912 25722 550 1 5 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.799 0.195 25722 551 1 5 . 1 1 645 645 VAL H H 645 7.986 7.986 7.799 0.187 25722 552 1 5 . 1 1 646 646 PHE N N 646 115.458 115.458 117.964 -2.506 25722 553 1 5 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.426 -0.025 25722 554 1 5 . 1 1 646 646 PHE H H 646 8.027 8.027 8.143 -0.116 25722 555 1 5 . 1 1 647 647 TRP N N 647 120.228 120.228 121.269 -1.041 25722 556 1 5 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.708 -0.128 25722 557 1 5 . 1 1 647 647 TRP H H 647 7.070 7.070 8.007 -0.937 25722 558 1 5 . 1 1 648 648 GLY N N 648 108.000 108.000 105.635 2.365 25722 559 1 5 . 1 1 648 648 GLY H H 648 8.245 8.245 8.828 -0.583 25722 560 1 5 . 1 1 649 649 GLN N N 649 119.516 119.516 123.126 -3.610 25722 561 1 5 . 1 1 649 649 GLN H H 649 7.682 7.682 7.710 -0.028 25722 562 1 5 . 1 1 650 650 ASP N N 650 114.599 114.599 122.579 -7.980 25722 563 1 5 . 1 1 650 650 ASP H H 650 7.880 7.880 8.403 -0.523 25722 564 1 5 . 1 1 651 651 HIS N N 651 126.820 126.820 119.426 7.394 25722 565 1 5 . 1 1 651 651 HIS H H 651 8.968 8.968 8.443 0.525 25722 566 1 5 . 1 1 652 652 LYS N N 652 119.747 119.747 118.168 1.579 25722 567 1 5 . 1 1 652 652 LYS HA H 652 4.025 4.025 3.986 0.039 25722 568 1 5 . 1 1 653 653 VAL N N 653 120.591 120.591 115.574 5.017 25722 569 1 5 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.510 0.300 25722 570 1 5 . 1 1 653 653 VAL H H 653 8.290 8.290 7.648 0.642 25722 571 1 5 . 1 1 654 654 ASP N N 654 119.962 119.962 118.733 1.229 25722 572 1 5 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.131 -0.137 25722 573 1 5 . 1 1 654 654 ASP H H 654 7.886 7.886 7.743 0.143 25722 574 1 5 . 1 1 655 655 PHE N N 655 123.205 123.205 119.767 3.438 25722 575 1 5 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.095 0.365 25722 576 1 5 . 1 1 655 655 PHE H H 655 8.357 8.357 7.100 1.257 25722 577 1 5 . 1 1 656 656 ILE N N 656 122.329 122.329 117.293 5.036 25722 578 1 5 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.800 0.330 25722 579 1 5 . 1 1 656 656 ILE H H 656 7.150 7.150 8.250 -1.100 25722 580 1 5 . 1 1 657 657 LEU N N 657 123.105 123.105 119.551 3.554 25722 581 1 5 . 1 1 657 657 LEU HA H 657 4.402 4.402 3.979 0.423 25722 582 1 5 . 1 1 657 657 LEU H H 657 9.010 9.010 7.917 1.093 25722 583 1 5 . 1 1 658 658 GLN N N 658 114.550 114.550 115.705 -1.155 25722 584 1 5 . 1 1 658 658 GLN H H 658 6.964 6.964 7.994 -1.030 25722 585 1 5 . 1 1 659 659 ARG N N 659 116.034 116.034 117.314 -1.280 25722 586 1 5 . 1 1 659 659 ARG H H 659 7.479 7.479 8.320 -0.841 25722 587 1 5 . 1 1 660 660 GLU N N 660 117.630 117.630 119.360 -1.730 25722 588 1 5 . 1 1 660 660 GLU H H 660 8.835 8.835 8.405 0.430 25722 589 1 5 . 1 1 662 662 TYR N N 662 119.800 119.800 122.628 -2.828 25722 590 1 5 . 1 1 662 662 TYR H H 662 8.221 8.221 8.643 -0.422 25722 591 1 5 . 1 1 663 663 CYS N N 663 118.319 118.319 116.043 2.276 25722 592 1 5 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.995 0.335 25722 593 1 5 . 1 1 663 663 CYS H H 663 8.233 8.233 8.568 -0.335 25722 594 1 5 . 1 1 664 664 ARG N N 664 114.391 114.391 119.593 -5.202 25722 595 1 5 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.146 -0.060 25722 596 1 5 . 1 1 664 664 ARG H H 664 7.268 7.268 8.114 -0.846 25722 597 1 5 . 1 1 665 665 ASP N N 665 122.897 122.897 118.939 3.958 25722 598 1 5 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.364 0.226 25722 599 1 5 . 1 1 665 665 ASP H H 665 8.620 8.620 7.917 0.703 25722 600 1 5 . 1 1 666 666 ILE N N 666 116.620 116.620 116.164 0.456 25722 601 1 5 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.876 -0.066 25722 602 1 5 . 1 1 666 666 ILE H H 666 6.976 6.976 7.392 -0.416 25722 603 1 5 . 1 1 667 667 ASN N N 667 124.762 124.762 120.689 4.073 25722 604 1 5 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.409 -0.089 25722 605 1 5 . 1 1 667 667 ASN H H 667 7.397 7.397 7.702 -0.305 25722 606 1 5 . 1 1 668 668 GLN N N 668 114.391 114.391 119.963 -5.572 25722 607 1 5 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.812 0.121 25722 608 1 5 . 1 1 668 668 GLN H H 668 7.267 7.267 7.816 -0.549 25722 609 1 5 . 1 1 669 669 LEU N N 669 121.387 121.387 121.201 0.186 25722 610 1 5 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.906 -0.546 25722 611 1 5 . 1 1 669 669 LEU H H 669 8.309 8.309 7.688 0.621 25722 612 1 5 . 1 1 670 670 SER N N 670 112.305 112.305 112.114 0.191 25722 613 1 5 . 1 1 670 670 SER HA H 670 4.304 4.304 4.215 0.089 25722 614 1 5 . 1 1 670 670 SER H H 670 7.448 7.448 8.614 -1.166 25722 615 1 5 . 1 1 671 671 GLU N N 671 120.749 120.749 120.751 -0.002 25722 616 1 5 . 1 1 671 671 GLU HA H 671 4.011 4.011 3.986 0.025 25722 617 1 5 . 1 1 671 671 GLU H H 671 7.831 7.831 8.347 -0.516 25722 618 1 5 . 1 1 672 672 ALA N N 672 119.688 119.688 123.539 -3.851 25722 619 1 5 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.374 -0.290 25722 620 1 5 . 1 1 672 672 ALA H H 672 7.728 7.728 7.885 -0.157 25722 621 1 5 . 1 1 673 673 LEU N N 673 119.258 119.258 119.273 -0.015 25722 622 1 5 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.188 -0.818 25722 623 1 5 . 1 1 673 673 LEU H H 673 8.166 8.166 8.593 -0.427 25722 624 1 5 . 1 1 674 674 LEU N N 674 121.499 121.499 119.251 2.248 25722 625 1 5 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.181 -0.355 25722 626 1 5 . 1 1 674 674 LEU H H 674 7.780 7.780 7.584 0.196 25722 627 1 5 . 1 1 675 675 SER N N 675 109.742 109.742 114.562 -4.820 25722 628 1 5 . 1 1 675 675 SER HA H 675 4.694 4.694 4.303 0.391 25722 629 1 5 . 1 1 675 675 SER H H 675 8.277 8.277 8.325 -0.048 25722 630 1 5 . 1 1 676 676 LEU N N 676 121.811 121.811 122.051 -0.240 25722 631 1 5 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.150 -0.105 25722 632 1 5 . 1 1 676 676 LEU H H 676 7.780 7.780 7.856 -0.076 25722 633 1 5 . 1 1 677 677 ASN N N 677 122.526 122.526 117.157 5.369 25722 634 1 5 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.539 0.266 25722 635 1 5 . 1 1 677 677 ASN H H 677 7.710 7.710 7.856 -0.146 25722 636 1 6 . 1 1 628 628 GLY N N 628 113.006 113.006 110.329 2.677 25722 637 1 6 . 1 1 628 628 GLY H H 628 8.727 8.727 8.326 0.401 25722 638 1 6 . 1 1 629 629 ILE N N 629 122.730 122.730 120.827 1.903 25722 639 1 6 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.507 -0.259 25722 640 1 6 . 1 1 629 629 ILE H H 629 8.560 8.560 7.948 0.612 25722 641 1 6 . 1 1 630 630 ARG N N 630 119.880 119.880 124.266 -4.386 25722 642 1 6 . 1 1 630 630 ARG H H 630 8.029 8.029 8.677 -0.648 25722 643 1 6 . 1 1 631 631 LYS N N 631 119.040 119.040 121.644 -2.604 25722 644 1 6 . 1 1 631 631 LYS H H 631 8.664 8.664 8.545 0.119 25722 645 1 6 . 1 1 632 632 THR N N 632 109.950 109.950 115.569 -5.619 25722 646 1 6 . 1 1 632 632 THR H H 632 8.376 8.376 8.217 0.159 25722 647 1 6 . 1 1 633 633 ARG N N 633 120.950 120.950 119.006 1.944 25722 648 1 6 . 1 1 633 633 ARG HA H 633 3.680 3.680 4.017 -0.337 25722 649 1 6 . 1 1 633 633 ARG H H 633 8.017 8.017 8.467 -0.450 25722 650 1 6 . 1 1 634 634 GLU N N 634 118.201 118.201 119.091 -0.890 25722 651 1 6 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.063 0.017 25722 652 1 6 . 1 1 634 634 GLU H H 634 7.260 7.260 7.840 -0.580 25722 653 1 6 . 1 1 635 635 THR N N 635 115.274 115.274 114.406 0.868 25722 654 1 6 . 1 1 635 635 THR H H 635 8.137 8.137 8.510 -0.373 25722 655 1 6 . 1 1 636 636 GLU N N 636 115.301 115.301 121.808 -6.507 25722 656 1 6 . 1 1 636 636 GLU HA H 636 4.108 4.108 3.698 0.410 25722 657 1 6 . 1 1 636 636 GLU H H 636 8.274 8.274 7.736 0.538 25722 658 1 6 . 1 1 637 637 ARG N N 637 120.174 120.174 120.330 -0.156 25722 659 1 6 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.029 -0.270 25722 660 1 6 . 1 1 637 637 ARG H H 637 7.810 7.810 7.477 0.333 25722 661 1 6 . 1 1 638 638 LEU N N 638 120.658 120.658 121.936 -1.278 25722 662 1 6 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.530 -1.080 25722 663 1 6 . 1 1 638 638 LEU H H 638 8.170 8.170 8.719 -0.549 25722 664 1 6 . 1 1 639 639 ARG N N 639 116.325 116.325 117.779 -1.454 25722 665 1 6 . 1 1 639 639 ARG HA H 639 3.924 3.924 3.915 0.009 25722 666 1 6 . 1 1 639 639 ARG H H 639 7.510 7.510 7.935 -0.425 25722 667 1 6 . 1 1 640 640 ARG N N 640 117.904 117.904 117.411 0.493 25722 668 1 6 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.104 -0.089 25722 669 1 6 . 1 1 640 640 ARG H H 640 7.925 7.925 7.809 0.116 25722 670 1 6 . 1 1 641 641 GLN N N 641 118.203 118.203 117.561 0.642 25722 671 1 6 . 1 1 641 641 GLN H H 641 8.682 8.682 7.885 0.797 25722 672 1 6 . 1 1 643 643 LEU N N 643 119.140 119.140 120.022 -0.882 25722 673 1 6 . 1 1 643 643 LEU H H 643 7.139 7.139 7.609 -0.470 25722 674 1 6 . 1 1 644 644 GLU N N 644 120.140 120.140 125.296 -5.156 25722 675 1 6 . 1 1 644 644 GLU H H 644 8.849 8.849 8.840 0.009 25722 676 1 6 . 1 1 645 645 VAL N N 645 119.330 119.330 125.523 -6.193 25722 677 1 6 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.768 0.226 25722 678 1 6 . 1 1 645 645 VAL H H 645 7.986 7.986 8.504 -0.517 25722 679 1 6 . 1 1 646 646 PHE N N 646 115.458 115.458 118.042 -2.584 25722 680 1 6 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.376 0.025 25722 681 1 6 . 1 1 646 646 PHE H H 646 8.027 8.027 8.150 -0.123 25722 682 1 6 . 1 1 647 647 TRP N N 647 120.228 120.228 121.097 -0.869 25722 683 1 6 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.493 0.087 25722 684 1 6 . 1 1 647 647 TRP H H 647 7.070 7.070 8.560 -1.490 25722 685 1 6 . 1 1 648 648 GLY N N 648 108.000 108.000 105.591 2.409 25722 686 1 6 . 1 1 648 648 GLY H H 648 8.245 8.245 8.256 -0.011 25722 687 1 6 . 1 1 649 649 GLN N N 649 119.516 119.516 120.780 -1.264 25722 688 1 6 . 1 1 649 649 GLN H H 649 7.682 7.682 8.031 -0.349 25722 689 1 6 . 1 1 650 650 ASP N N 650 114.599 114.599 118.223 -3.624 25722 690 1 6 . 1 1 650 650 ASP H H 650 7.880 7.880 8.670 -0.790 25722 691 1 6 . 1 1 651 651 HIS N N 651 126.820 126.820 120.857 5.963 25722 692 1 6 . 1 1 651 651 HIS H H 651 8.968 8.968 8.596 0.372 25722 693 1 6 . 1 1 652 652 LYS N N 652 119.747 119.747 117.624 2.123 25722 694 1 6 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.003 0.022 25722 695 1 6 . 1 1 653 653 VAL N N 653 120.591 120.591 116.731 3.860 25722 696 1 6 . 1 1 653 653 VAL HA H 653 3.810 3.810 4.329 -0.519 25722 697 1 6 . 1 1 653 653 VAL H H 653 8.290 8.290 7.595 0.695 25722 698 1 6 . 1 1 654 654 ASP N N 654 119.962 119.962 118.194 1.768 25722 699 1 6 . 1 1 654 654 ASP HA H 654 3.994 3.994 3.870 0.124 25722 700 1 6 . 1 1 654 654 ASP H H 654 7.886 7.886 7.786 0.100 25722 701 1 6 . 1 1 655 655 PHE N N 655 123.205 123.205 120.257 2.948 25722 702 1 6 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.050 0.410 25722 703 1 6 . 1 1 655 655 PHE H H 655 8.357 8.357 7.087 1.270 25722 704 1 6 . 1 1 656 656 ILE N N 656 122.329 122.329 116.911 5.418 25722 705 1 6 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.767 0.363 25722 706 1 6 . 1 1 656 656 ILE H H 656 7.150 7.150 8.468 -1.318 25722 707 1 6 . 1 1 657 657 LEU N N 657 123.105 123.105 120.655 2.450 25722 708 1 6 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.109 0.293 25722 709 1 6 . 1 1 657 657 LEU H H 657 9.010 9.010 7.560 1.450 25722 710 1 6 . 1 1 658 658 GLN N N 658 114.550 114.550 116.792 -2.242 25722 711 1 6 . 1 1 658 658 GLN H H 658 6.964 6.964 7.670 -0.706 25722 712 1 6 . 1 1 659 659 ARG N N 659 116.034 116.034 118.499 -2.465 25722 713 1 6 . 1 1 659 659 ARG H H 659 7.479 7.479 7.420 0.059 25722 714 1 6 . 1 1 660 660 GLU N N 660 117.630 117.630 118.951 -1.321 25722 715 1 6 . 1 1 660 660 GLU H H 660 8.835 8.835 8.674 0.161 25722 716 1 6 . 1 1 662 662 TYR N N 662 119.800 119.800 122.331 -2.531 25722 717 1 6 . 1 1 662 662 TYR H H 662 8.221 8.221 8.629 -0.408 25722 718 1 6 . 1 1 663 663 CYS N N 663 118.319 118.319 116.830 1.489 25722 719 1 6 . 1 1 663 663 CYS HA H 663 4.330 4.330 4.136 0.194 25722 720 1 6 . 1 1 663 663 CYS H H 663 8.233 8.233 8.608 -0.375 25722 721 1 6 . 1 1 664 664 ARG N N 664 114.391 114.391 119.627 -5.236 25722 722 1 6 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.509 -0.423 25722 723 1 6 . 1 1 664 664 ARG H H 664 7.268 7.268 8.135 -0.867 25722 724 1 6 . 1 1 665 665 ASP N N 665 122.897 122.897 119.740 3.157 25722 725 1 6 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.278 0.312 25722 726 1 6 . 1 1 665 665 ASP H H 665 8.620 8.620 7.579 1.041 25722 727 1 6 . 1 1 666 666 ILE N N 666 116.620 116.620 119.041 -2.421 25722 728 1 6 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.778 0.032 25722 729 1 6 . 1 1 666 666 ILE H H 666 6.976 6.976 7.428 -0.452 25722 730 1 6 . 1 1 667 667 ASN N N 667 124.762 124.762 119.320 5.442 25722 731 1 6 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.714 -0.394 25722 732 1 6 . 1 1 667 667 ASN H H 667 7.397 7.397 7.657 -0.260 25722 733 1 6 . 1 1 668 668 GLN N N 668 114.391 114.391 119.528 -5.137 25722 734 1 6 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.582 0.351 25722 735 1 6 . 1 1 668 668 GLN H H 668 7.267 7.267 7.713 -0.446 25722 736 1 6 . 1 1 669 669 LEU N N 669 121.387 121.387 120.423 0.964 25722 737 1 6 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.935 -0.575 25722 738 1 6 . 1 1 669 669 LEU H H 669 8.309 8.309 7.602 0.707 25722 739 1 6 . 1 1 670 670 SER N N 670 112.305 112.305 112.733 -0.428 25722 740 1 6 . 1 1 670 670 SER HA H 670 4.304 4.304 4.243 0.061 25722 741 1 6 . 1 1 670 670 SER H H 670 7.448 7.448 8.447 -0.999 25722 742 1 6 . 1 1 671 671 GLU N N 671 120.749 120.749 121.578 -0.829 25722 743 1 6 . 1 1 671 671 GLU HA H 671 4.011 4.011 4.118 -0.107 25722 744 1 6 . 1 1 671 671 GLU H H 671 7.831 7.831 7.936 -0.105 25722 745 1 6 . 1 1 672 672 ALA N N 672 119.688 119.688 122.695 -3.007 25722 746 1 6 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.413 -0.329 25722 747 1 6 . 1 1 672 672 ALA H H 672 7.728 7.728 8.104 -0.376 25722 748 1 6 . 1 1 673 673 LEU N N 673 119.258 119.258 118.598 0.660 25722 749 1 6 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.093 -0.723 25722 750 1 6 . 1 1 673 673 LEU H H 673 8.166 8.166 7.966 0.200 25722 751 1 6 . 1 1 674 674 LEU N N 674 121.499 121.499 120.338 1.161 25722 752 1 6 . 1 1 674 674 LEU HA H 674 3.826 3.826 3.953 -0.127 25722 753 1 6 . 1 1 674 674 LEU H H 674 7.780 7.780 7.633 0.147 25722 754 1 6 . 1 1 675 675 SER N N 675 109.742 109.742 114.619 -4.877 25722 755 1 6 . 1 1 675 675 SER HA H 675 4.694 4.694 4.295 0.399 25722 756 1 6 . 1 1 675 675 SER H H 675 8.277 8.277 7.919 0.358 25722 757 1 6 . 1 1 676 676 LEU N N 676 121.811 121.811 122.626 -0.815 25722 758 1 6 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.181 -0.136 25722 759 1 6 . 1 1 676 676 LEU H H 676 7.780 7.780 7.716 0.064 25722 760 1 6 . 1 1 677 677 ASN N N 677 122.526 122.526 116.627 5.899 25722 761 1 6 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.581 0.224 25722 762 1 6 . 1 1 677 677 ASN H H 677 7.710 7.710 7.952 -0.242 25722 763 1 7 . 1 1 628 628 GLY N N 628 113.006 113.006 111.069 1.937 25722 764 1 7 . 1 1 628 628 GLY H H 628 8.727 8.727 8.756 -0.029 25722 765 1 7 . 1 1 629 629 ILE N N 629 122.730 122.730 120.235 2.495 25722 766 1 7 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.571 -0.323 25722 767 1 7 . 1 1 629 629 ILE H H 629 8.560 8.560 7.732 0.828 25722 768 1 7 . 1 1 630 630 ARG N N 630 119.880 119.880 124.696 -4.816 25722 769 1 7 . 1 1 630 630 ARG H H 630 8.029 8.029 8.665 -0.636 25722 770 1 7 . 1 1 631 631 LYS N N 631 119.040 119.040 120.708 -1.668 25722 771 1 7 . 1 1 631 631 LYS H H 631 8.664 8.664 8.502 0.162 25722 772 1 7 . 1 1 632 632 THR N N 632 109.950 109.950 113.861 -3.911 25722 773 1 7 . 1 1 632 632 THR H H 632 8.376 8.376 8.043 0.333 25722 774 1 7 . 1 1 633 633 ARG N N 633 120.950 120.950 120.119 0.831 25722 775 1 7 . 1 1 633 633 ARG HA H 633 3.680 3.680 3.984 -0.304 25722 776 1 7 . 1 1 633 633 ARG H H 633 8.017 8.017 8.537 -0.519 25722 777 1 7 . 1 1 634 634 GLU N N 634 118.201 118.201 117.010 1.191 25722 778 1 7 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.175 -0.095 25722 779 1 7 . 1 1 634 634 GLU H H 634 7.260 7.260 7.948 -0.688 25722 780 1 7 . 1 1 635 635 THR N N 635 115.274 115.274 114.140 1.134 25722 781 1 7 . 1 1 635 635 THR H H 635 8.137 8.137 7.719 0.418 25722 782 1 7 . 1 1 636 636 GLU N N 636 115.301 115.301 121.002 -5.701 25722 783 1 7 . 1 1 636 636 GLU HA H 636 4.108 4.108 4.207 -0.099 25722 784 1 7 . 1 1 636 636 GLU H H 636 8.274 8.274 8.105 0.169 25722 785 1 7 . 1 1 637 637 ARG N N 637 120.174 120.174 119.622 0.552 25722 786 1 7 . 1 1 637 637 ARG HA H 637 3.759 3.759 3.997 -0.238 25722 787 1 7 . 1 1 637 637 ARG H H 637 7.810 7.810 7.634 0.176 25722 788 1 7 . 1 1 638 638 LEU N N 638 120.658 120.658 119.700 0.958 25722 789 1 7 . 1 1 638 638 LEU HA H 638 3.450 3.450 3.998 -0.548 25722 790 1 7 . 1 1 638 638 LEU H H 638 8.170 8.170 8.149 0.021 25722 791 1 7 . 1 1 639 639 ARG N N 639 116.325 116.325 116.900 -0.575 25722 792 1 7 . 1 1 639 639 ARG HA H 639 3.924 3.924 3.998 -0.074 25722 793 1 7 . 1 1 639 639 ARG H H 639 7.510 7.510 7.356 0.154 25722 794 1 7 . 1 1 640 640 ARG N N 640 117.904 117.904 117.396 0.508 25722 795 1 7 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.047 -0.032 25722 796 1 7 . 1 1 640 640 ARG H H 640 7.925 7.925 8.029 -0.104 25722 797 1 7 . 1 1 641 641 GLN N N 641 118.203 118.203 113.810 4.393 25722 798 1 7 . 1 1 641 641 GLN H H 641 8.682 8.682 7.816 0.866 25722 799 1 7 . 1 1 643 643 LEU N N 643 119.140 119.140 118.543 0.597 25722 800 1 7 . 1 1 643 643 LEU H H 643 7.139 7.139 7.929 -0.790 25722 801 1 7 . 1 1 644 644 GLU N N 644 120.140 120.140 118.388 1.752 25722 802 1 7 . 1 1 644 644 GLU H H 644 8.849 8.849 8.399 0.450 25722 803 1 7 . 1 1 645 645 VAL N N 645 119.330 119.330 121.320 -1.990 25722 804 1 7 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.854 0.140 25722 805 1 7 . 1 1 645 645 VAL H H 645 7.986 7.986 8.264 -0.278 25722 806 1 7 . 1 1 646 646 PHE N N 646 115.458 115.458 119.196 -3.738 25722 807 1 7 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.419 -0.018 25722 808 1 7 . 1 1 646 646 PHE H H 646 8.027 8.027 8.173 -0.146 25722 809 1 7 . 1 1 647 647 TRP N N 647 120.228 120.228 120.472 -0.244 25722 810 1 7 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.820 -0.240 25722 811 1 7 . 1 1 647 647 TRP H H 647 7.070 7.070 8.450 -1.380 25722 812 1 7 . 1 1 648 648 GLY N N 648 108.000 108.000 106.894 1.106 25722 813 1 7 . 1 1 648 648 GLY H H 648 8.245 8.245 8.567 -0.322 25722 814 1 7 . 1 1 649 649 GLN N N 649 119.516 119.516 122.990 -3.474 25722 815 1 7 . 1 1 649 649 GLN H H 649 7.682 7.682 7.774 -0.092 25722 816 1 7 . 1 1 650 650 ASP N N 650 114.599 114.599 121.603 -7.004 25722 817 1 7 . 1 1 650 650 ASP H H 650 7.880 7.880 8.488 -0.608 25722 818 1 7 . 1 1 651 651 HIS N N 651 126.820 126.820 120.195 6.625 25722 819 1 7 . 1 1 651 651 HIS H H 651 8.968 8.968 8.460 0.508 25722 820 1 7 . 1 1 652 652 LYS N N 652 119.747 119.747 118.074 1.673 25722 821 1 7 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.029 -0.004 25722 822 1 7 . 1 1 653 653 VAL N N 653 120.591 120.591 114.903 5.688 25722 823 1 7 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.035 0.775 25722 824 1 7 . 1 1 653 653 VAL H H 653 8.290 8.290 7.449 0.841 25722 825 1 7 . 1 1 654 654 ASP N N 654 119.962 119.962 117.890 2.072 25722 826 1 7 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.125 -0.131 25722 827 1 7 . 1 1 654 654 ASP H H 654 7.886 7.886 7.546 0.340 25722 828 1 7 . 1 1 655 655 PHE N N 655 123.205 123.205 119.678 3.527 25722 829 1 7 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.097 0.363 25722 830 1 7 . 1 1 655 655 PHE H H 655 8.357 8.357 7.351 1.006 25722 831 1 7 . 1 1 656 656 ILE N N 656 122.329 122.329 117.738 4.591 25722 832 1 7 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.828 0.302 25722 833 1 7 . 1 1 656 656 ILE H H 656 7.150 7.150 8.237 -1.087 25722 834 1 7 . 1 1 657 657 LEU N N 657 123.105 123.105 119.191 3.914 25722 835 1 7 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.049 0.353 25722 836 1 7 . 1 1 657 657 LEU H H 657 9.010 9.010 7.643 1.367 25722 837 1 7 . 1 1 658 658 GLN N N 658 114.550 114.550 113.860 0.690 25722 838 1 7 . 1 1 658 658 GLN H H 658 6.964 6.964 7.762 -0.798 25722 839 1 7 . 1 1 659 659 ARG N N 659 116.034 116.034 117.173 -1.139 25722 840 1 7 . 1 1 659 659 ARG H H 659 7.479 7.479 8.276 -0.797 25722 841 1 7 . 1 1 660 660 GLU N N 660 117.630 117.630 119.435 -1.805 25722 842 1 7 . 1 1 660 660 GLU H H 660 8.835 8.835 8.278 0.557 25722 843 1 7 . 1 1 662 662 TYR N N 662 119.800 119.800 123.873 -4.073 25722 844 1 7 . 1 1 662 662 TYR H H 662 8.221 8.221 8.612 -0.391 25722 845 1 7 . 1 1 663 663 CYS N N 663 118.319 118.319 115.976 2.343 25722 846 1 7 . 1 1 663 663 CYS HA H 663 4.330 4.330 4.035 0.295 25722 847 1 7 . 1 1 663 663 CYS H H 663 8.233 8.233 8.482 -0.249 25722 848 1 7 . 1 1 664 664 ARG N N 664 114.391 114.391 118.987 -4.596 25722 849 1 7 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.101 -0.015 25722 850 1 7 . 1 1 664 664 ARG H H 664 7.268 7.268 8.261 -0.993 25722 851 1 7 . 1 1 665 665 ASP N N 665 122.897 122.897 118.270 4.627 25722 852 1 7 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.346 0.244 25722 853 1 7 . 1 1 665 665 ASP H H 665 8.620 8.620 7.902 0.718 25722 854 1 7 . 1 1 666 666 ILE N N 666 116.620 116.620 117.547 -0.927 25722 855 1 7 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.872 -0.062 25722 856 1 7 . 1 1 666 666 ILE H H 666 6.976 6.976 7.250 -0.274 25722 857 1 7 . 1 1 667 667 ASN N N 667 124.762 124.762 120.147 4.615 25722 858 1 7 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.451 -0.131 25722 859 1 7 . 1 1 667 667 ASN H H 667 7.397 7.397 7.763 -0.366 25722 860 1 7 . 1 1 668 668 GLN N N 668 114.391 114.391 120.521 -6.130 25722 861 1 7 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.607 0.326 25722 862 1 7 . 1 1 668 668 GLN H H 668 7.267 7.267 7.701 -0.434 25722 863 1 7 . 1 1 669 669 LEU N N 669 121.387 121.387 120.257 1.130 25722 864 1 7 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.967 -0.607 25722 865 1 7 . 1 1 669 669 LEU H H 669 8.309 8.309 7.710 0.599 25722 866 1 7 . 1 1 670 670 SER N N 670 112.305 112.305 113.785 -1.480 25722 867 1 7 . 1 1 670 670 SER HA H 670 4.304 4.304 4.196 0.108 25722 868 1 7 . 1 1 670 670 SER H H 670 7.448 7.448 8.823 -1.375 25722 869 1 7 . 1 1 671 671 GLU N N 671 120.749 120.749 121.938 -1.189 25722 870 1 7 . 1 1 671 671 GLU HA H 671 4.011 4.011 4.010 0.001 25722 871 1 7 . 1 1 671 671 GLU H H 671 7.831 7.831 8.497 -0.666 25722 872 1 7 . 1 1 672 672 ALA N N 672 119.688 119.688 122.457 -2.769 25722 873 1 7 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.453 -0.369 25722 874 1 7 . 1 1 672 672 ALA H H 672 7.728 7.728 7.935 -0.207 25722 875 1 7 . 1 1 673 673 LEU N N 673 119.258 119.258 119.403 -0.145 25722 876 1 7 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.209 -0.839 25722 877 1 7 . 1 1 673 673 LEU H H 673 8.166 8.166 8.593 -0.427 25722 878 1 7 . 1 1 674 674 LEU N N 674 121.499 121.499 119.623 1.876 25722 879 1 7 . 1 1 674 674 LEU HA H 674 3.826 3.826 3.945 -0.119 25722 880 1 7 . 1 1 674 674 LEU H H 674 7.780 7.780 7.596 0.184 25722 881 1 7 . 1 1 675 675 SER N N 675 109.742 109.742 115.017 -5.275 25722 882 1 7 . 1 1 675 675 SER HA H 675 4.694 4.694 4.233 0.461 25722 883 1 7 . 1 1 675 675 SER H H 675 8.277 8.277 7.780 0.497 25722 884 1 7 . 1 1 676 676 LEU N N 676 121.811 121.811 121.437 0.374 25722 885 1 7 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.245 -0.200 25722 886 1 7 . 1 1 676 676 LEU H H 676 7.780 7.780 7.825 -0.045 25722 887 1 7 . 1 1 677 677 ASN N N 677 122.526 122.526 116.624 5.902 25722 888 1 7 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.610 0.195 25722 889 1 7 . 1 1 677 677 ASN H H 677 7.710 7.710 7.926 -0.216 25722 890 1 8 . 1 1 628 628 GLY N N 628 113.006 113.006 108.579 4.427 25722 891 1 8 . 1 1 628 628 GLY H H 628 8.727 8.727 9.041 -0.314 25722 892 1 8 . 1 1 629 629 ILE N N 629 122.730 122.730 117.809 4.921 25722 893 1 8 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.416 -0.168 25722 894 1 8 . 1 1 629 629 ILE H H 629 8.560 8.560 8.098 0.462 25722 895 1 8 . 1 1 630 630 ARG N N 630 119.880 119.880 122.102 -2.222 25722 896 1 8 . 1 1 630 630 ARG H H 630 8.029 8.029 7.890 0.139 25722 897 1 8 . 1 1 631 631 LYS N N 631 119.040 119.040 124.158 -5.118 25722 898 1 8 . 1 1 631 631 LYS H H 631 8.664 8.664 8.732 -0.068 25722 899 1 8 . 1 1 632 632 THR N N 632 109.950 109.950 116.342 -6.392 25722 900 1 8 . 1 1 632 632 THR H H 632 8.376 8.376 7.788 0.588 25722 901 1 8 . 1 1 633 633 ARG N N 633 120.950 120.950 120.102 0.848 25722 902 1 8 . 1 1 633 633 ARG HA H 633 3.680 3.680 4.007 -0.327 25722 903 1 8 . 1 1 633 633 ARG H H 633 8.017 8.017 8.632 -0.615 25722 904 1 8 . 1 1 634 634 GLU N N 634 118.201 118.201 116.328 1.873 25722 905 1 8 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.221 -0.141 25722 906 1 8 . 1 1 634 634 GLU H H 634 7.260 7.260 8.249 -0.989 25722 907 1 8 . 1 1 635 635 THR N N 635 115.274 115.274 114.493 0.781 25722 908 1 8 . 1 1 635 635 THR H H 635 8.137 8.137 7.388 0.749 25722 909 1 8 . 1 1 636 636 GLU N N 636 115.301 115.301 120.315 -5.014 25722 910 1 8 . 1 1 636 636 GLU HA H 636 4.108 4.108 3.821 0.287 25722 911 1 8 . 1 1 636 636 GLU H H 636 8.274 8.274 8.119 0.155 25722 912 1 8 . 1 1 637 637 ARG N N 637 120.174 120.174 118.866 1.308 25722 913 1 8 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.091 -0.332 25722 914 1 8 . 1 1 637 637 ARG H H 637 7.810 7.810 7.601 0.209 25722 915 1 8 . 1 1 638 638 LEU N N 638 120.658 120.658 119.435 1.223 25722 916 1 8 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.053 -0.603 25722 917 1 8 . 1 1 638 638 LEU H H 638 8.170 8.170 7.368 0.802 25722 918 1 8 . 1 1 639 639 ARG N N 639 116.325 116.325 119.041 -2.716 25722 919 1 8 . 1 1 639 639 ARG HA H 639 3.924 3.924 4.123 -0.199 25722 920 1 8 . 1 1 639 639 ARG H H 639 7.510 7.510 7.634 -0.124 25722 921 1 8 . 1 1 640 640 ARG N N 640 117.904 117.904 118.445 -0.541 25722 922 1 8 . 1 1 640 640 ARG HA H 640 4.015 4.015 3.973 0.042 25722 923 1 8 . 1 1 640 640 ARG H H 640 7.925 7.925 7.609 0.316 25722 924 1 8 . 1 1 641 641 GLN N N 641 118.203 118.203 116.339 1.864 25722 925 1 8 . 1 1 641 641 GLN H H 641 8.682 8.682 7.716 0.966 25722 926 1 8 . 1 1 643 643 LEU N N 643 119.140 119.140 123.585 -4.445 25722 927 1 8 . 1 1 643 643 LEU H H 643 7.139 7.139 8.401 -1.262 25722 928 1 8 . 1 1 644 644 GLU N N 644 120.140 120.140 123.965 -3.825 25722 929 1 8 . 1 1 644 644 GLU H H 644 8.849 8.849 8.565 0.284 25722 930 1 8 . 1 1 645 645 VAL N N 645 119.330 119.330 119.759 -0.429 25722 931 1 8 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.835 0.159 25722 932 1 8 . 1 1 645 645 VAL H H 645 7.986 7.986 8.445 -0.459 25722 933 1 8 . 1 1 646 646 PHE N N 646 115.458 115.458 118.314 -2.856 25722 934 1 8 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.361 0.040 25722 935 1 8 . 1 1 646 646 PHE H H 646 8.027 8.027 7.939 0.088 25722 936 1 8 . 1 1 647 647 TRP N N 647 120.228 120.228 120.269 -0.041 25722 937 1 8 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.770 -0.190 25722 938 1 8 . 1 1 647 647 TRP H H 647 7.070 7.070 8.478 -1.408 25722 939 1 8 . 1 1 648 648 GLY N N 648 108.000 108.000 105.084 2.916 25722 940 1 8 . 1 1 648 648 GLY H H 648 8.245 8.245 8.782 -0.537 25722 941 1 8 . 1 1 649 649 GLN N N 649 119.516 119.516 119.554 -0.038 25722 942 1 8 . 1 1 649 649 GLN H H 649 7.682 7.682 7.753 -0.070 25722 943 1 8 . 1 1 650 650 ASP N N 650 114.599 114.599 113.815 0.784 25722 944 1 8 . 1 1 650 650 ASP H H 650 7.880 7.880 8.308 -0.428 25722 945 1 8 . 1 1 651 651 HIS N N 651 126.820 126.820 120.195 6.625 25722 946 1 8 . 1 1 651 651 HIS H H 651 8.968 8.968 8.309 0.659 25722 947 1 8 . 1 1 652 652 LYS N N 652 119.747 119.747 118.810 0.937 25722 948 1 8 . 1 1 652 652 LYS HA H 652 4.025 4.025 3.995 0.030 25722 949 1 8 . 1 1 653 653 VAL N N 653 120.591 120.591 115.176 5.415 25722 950 1 8 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.703 0.107 25722 951 1 8 . 1 1 653 653 VAL H H 653 8.290 8.290 7.264 1.026 25722 952 1 8 . 1 1 654 654 ASP N N 654 119.962 119.962 118.269 1.693 25722 953 1 8 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.026 -0.032 25722 954 1 8 . 1 1 654 654 ASP H H 654 7.886 7.886 7.577 0.309 25722 955 1 8 . 1 1 655 655 PHE N N 655 123.205 123.205 119.969 3.236 25722 956 1 8 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.093 0.367 25722 957 1 8 . 1 1 655 655 PHE H H 655 8.357 8.357 7.172 1.185 25722 958 1 8 . 1 1 656 656 ILE N N 656 122.329 122.329 116.687 5.642 25722 959 1 8 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.918 0.212 25722 960 1 8 . 1 1 656 656 ILE H H 656 7.150 7.150 8.151 -1.001 25722 961 1 8 . 1 1 657 657 LEU N N 657 123.105 123.105 119.439 3.666 25722 962 1 8 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.342 0.060 25722 963 1 8 . 1 1 657 657 LEU H H 657 9.010 9.010 7.445 1.565 25722 964 1 8 . 1 1 658 658 GLN N N 658 114.550 114.550 118.393 -3.843 25722 965 1 8 . 1 1 658 658 GLN H H 658 6.964 6.964 7.343 -0.379 25722 966 1 8 . 1 1 659 659 ARG N N 659 116.034 116.034 121.756 -5.722 25722 967 1 8 . 1 1 659 659 ARG H H 659 7.479 7.479 8.626 -1.147 25722 968 1 8 . 1 1 660 660 GLU N N 660 117.630 117.630 117.537 0.093 25722 969 1 8 . 1 1 660 660 GLU H H 660 8.835 8.835 7.526 1.309 25722 970 1 8 . 1 1 662 662 TYR N N 662 119.800 119.800 119.140 0.660 25722 971 1 8 . 1 1 662 662 TYR H H 662 8.221 8.221 8.622 -0.401 25722 972 1 8 . 1 1 663 663 CYS N N 663 118.319 118.319 115.815 2.504 25722 973 1 8 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.941 0.389 25722 974 1 8 . 1 1 663 663 CYS H H 663 8.233 8.233 8.518 -0.285 25722 975 1 8 . 1 1 664 664 ARG N N 664 114.391 114.391 119.377 -4.986 25722 976 1 8 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.028 0.058 25722 977 1 8 . 1 1 664 664 ARG H H 664 7.268 7.268 7.588 -0.320 25722 978 1 8 . 1 1 665 665 ASP N N 665 122.897 122.897 119.234 3.663 25722 979 1 8 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.359 0.232 25722 980 1 8 . 1 1 665 665 ASP H H 665 8.620 8.620 7.889 0.731 25722 981 1 8 . 1 1 666 666 ILE N N 666 116.620 116.620 118.777 -2.157 25722 982 1 8 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.722 0.088 25722 983 1 8 . 1 1 666 666 ILE H H 666 6.976 6.976 7.234 -0.258 25722 984 1 8 . 1 1 667 667 ASN N N 667 124.762 124.762 119.943 4.819 25722 985 1 8 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.385 -0.065 25722 986 1 8 . 1 1 667 667 ASN H H 667 7.397 7.397 7.636 -0.239 25722 987 1 8 . 1 1 668 668 GLN N N 668 114.391 114.391 120.251 -5.860 25722 988 1 8 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.616 0.317 25722 989 1 8 . 1 1 668 668 GLN H H 668 7.267 7.267 7.809 -0.542 25722 990 1 8 . 1 1 669 669 LEU N N 669 121.387 121.387 120.472 0.915 25722 991 1 8 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.933 -0.573 25722 992 1 8 . 1 1 669 669 LEU H H 669 8.309 8.309 7.999 0.310 25722 993 1 8 . 1 1 670 670 SER N N 670 112.305 112.305 113.739 -1.434 25722 994 1 8 . 1 1 670 670 SER HA H 670 4.304 4.304 4.116 0.188 25722 995 1 8 . 1 1 670 670 SER H H 670 7.448 7.448 8.607 -1.159 25722 996 1 8 . 1 1 671 671 GLU N N 671 120.749 120.749 120.974 -0.225 25722 997 1 8 . 1 1 671 671 GLU HA H 671 4.011 4.011 3.965 0.046 25722 998 1 8 . 1 1 671 671 GLU H H 671 7.831 7.831 8.375 -0.544 25722 999 1 8 . 1 1 672 672 ALA N N 672 119.688 119.688 122.718 -3.030 25722 1000 1 8 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.354 -0.270 25722 1001 1 8 . 1 1 672 672 ALA H H 672 7.728 7.728 8.164 -0.436 25722 1002 1 8 . 1 1 673 673 LEU N N 673 119.258 119.258 119.231 0.027 25722 1003 1 8 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.196 -0.826 25722 1004 1 8 . 1 1 673 673 LEU H H 673 8.166 8.166 8.496 -0.330 25722 1005 1 8 . 1 1 674 674 LEU N N 674 121.499 121.499 119.616 1.883 25722 1006 1 8 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.175 -0.349 25722 1007 1 8 . 1 1 674 674 LEU H H 674 7.780 7.780 7.527 0.253 25722 1008 1 8 . 1 1 675 675 SER N N 675 109.742 109.742 114.552 -4.810 25722 1009 1 8 . 1 1 675 675 SER HA H 675 4.694 4.694 4.319 0.375 25722 1010 1 8 . 1 1 675 675 SER H H 675 8.277 8.277 8.204 0.073 25722 1011 1 8 . 1 1 676 676 LEU N N 676 121.811 121.811 122.185 -0.374 25722 1012 1 8 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.170 -0.125 25722 1013 1 8 . 1 1 676 676 LEU H H 676 7.780 7.780 7.828 -0.048 25722 1014 1 8 . 1 1 677 677 ASN N N 677 122.526 122.526 116.905 5.621 25722 1015 1 8 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.529 0.276 25722 1016 1 8 . 1 1 677 677 ASN H H 677 7.710 7.710 7.874 -0.164 25722 1017 1 9 . 1 1 628 628 GLY N N 628 113.006 113.006 109.550 3.456 25722 1018 1 9 . 1 1 628 628 GLY H H 628 8.727 8.727 7.994 0.733 25722 1019 1 9 . 1 1 629 629 ILE N N 629 122.730 122.730 117.674 5.056 25722 1020 1 9 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.346 -0.098 25722 1021 1 9 . 1 1 629 629 ILE H H 629 8.560 8.560 8.212 0.348 25722 1022 1 9 . 1 1 630 630 ARG N N 630 119.880 119.880 125.156 -5.276 25722 1023 1 9 . 1 1 630 630 ARG H H 630 8.029 8.029 8.783 -0.754 25722 1024 1 9 . 1 1 631 631 LYS N N 631 119.040 119.040 120.374 -1.334 25722 1025 1 9 . 1 1 631 631 LYS H H 631 8.664 8.664 8.366 0.298 25722 1026 1 9 . 1 1 632 632 THR N N 632 109.950 109.950 113.395 -3.445 25722 1027 1 9 . 1 1 632 632 THR H H 632 8.376 8.376 8.099 0.277 25722 1028 1 9 . 1 1 633 633 ARG N N 633 120.950 120.950 120.687 0.263 25722 1029 1 9 . 1 1 633 633 ARG HA H 633 3.680 3.680 4.042 -0.362 25722 1030 1 9 . 1 1 633 633 ARG H H 633 8.017 8.017 8.585 -0.568 25722 1031 1 9 . 1 1 634 634 GLU N N 634 118.201 118.201 116.749 1.452 25722 1032 1 9 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.189 -0.109 25722 1033 1 9 . 1 1 634 634 GLU H H 634 7.260 7.260 8.136 -0.876 25722 1034 1 9 . 1 1 635 635 THR N N 635 115.274 115.274 115.341 -0.067 25722 1035 1 9 . 1 1 635 635 THR H H 635 8.137 8.137 7.387 0.750 25722 1036 1 9 . 1 1 636 636 GLU N N 636 115.301 115.301 120.421 -5.120 25722 1037 1 9 . 1 1 636 636 GLU HA H 636 4.108 4.108 4.347 -0.239 25722 1038 1 9 . 1 1 636 636 GLU H H 636 8.274 8.274 8.347 -0.073 25722 1039 1 9 . 1 1 637 637 ARG N N 637 120.174 120.174 119.273 0.901 25722 1040 1 9 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.183 -0.424 25722 1041 1 9 . 1 1 637 637 ARG H H 637 7.810 7.810 7.695 0.115 25722 1042 1 9 . 1 1 638 638 LEU N N 638 120.658 120.658 122.216 -1.558 25722 1043 1 9 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.165 -0.715 25722 1044 1 9 . 1 1 638 638 LEU H H 638 8.170 8.170 7.783 0.387 25722 1045 1 9 . 1 1 639 639 ARG N N 639 116.325 116.325 117.559 -1.234 25722 1046 1 9 . 1 1 639 639 ARG HA H 639 3.924 3.924 3.849 0.075 25722 1047 1 9 . 1 1 639 639 ARG H H 639 7.510 7.510 7.615 -0.105 25722 1048 1 9 . 1 1 640 640 ARG N N 640 117.904 117.904 118.520 -0.616 25722 1049 1 9 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.169 -0.154 25722 1050 1 9 . 1 1 640 640 ARG H H 640 7.925 7.925 7.573 0.352 25722 1051 1 9 . 1 1 641 641 GLN N N 641 118.203 118.203 116.961 1.242 25722 1052 1 9 . 1 1 641 641 GLN H H 641 8.682 8.682 7.925 0.757 25722 1053 1 9 . 1 1 643 643 LEU N N 643 119.140 119.140 120.932 -1.792 25722 1054 1 9 . 1 1 643 643 LEU H H 643 7.139 7.139 7.380 -0.241 25722 1055 1 9 . 1 1 644 644 GLU N N 644 120.140 120.140 120.955 -0.815 25722 1056 1 9 . 1 1 644 644 GLU H H 644 8.849 8.849 8.422 0.427 25722 1057 1 9 . 1 1 645 645 VAL N N 645 119.330 119.330 124.755 -5.425 25722 1058 1 9 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.743 0.251 25722 1059 1 9 . 1 1 645 645 VAL H H 645 7.986 7.986 8.187 -0.201 25722 1060 1 9 . 1 1 646 646 PHE N N 646 115.458 115.458 116.932 -1.474 25722 1061 1 9 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.462 -0.061 25722 1062 1 9 . 1 1 646 646 PHE H H 646 8.027 8.027 8.052 -0.025 25722 1063 1 9 . 1 1 647 647 TRP N N 647 120.228 120.228 121.378 -1.150 25722 1064 1 9 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.531 0.049 25722 1065 1 9 . 1 1 647 647 TRP H H 647 7.070 7.070 8.400 -1.330 25722 1066 1 9 . 1 1 648 648 GLY N N 648 108.000 108.000 104.422 3.578 25722 1067 1 9 . 1 1 648 648 GLY H H 648 8.245 8.245 8.227 0.018 25722 1068 1 9 . 1 1 649 649 GLN N N 649 119.516 119.516 118.816 0.700 25722 1069 1 9 . 1 1 649 649 GLN H H 649 7.682 7.682 8.401 -0.719 25722 1070 1 9 . 1 1 650 650 ASP N N 650 114.599 114.599 115.385 -0.786 25722 1071 1 9 . 1 1 650 650 ASP H H 650 7.880 7.880 8.246 -0.366 25722 1072 1 9 . 1 1 651 651 HIS N N 651 126.820 126.820 119.576 7.244 25722 1073 1 9 . 1 1 651 651 HIS H H 651 8.968 8.968 8.283 0.685 25722 1074 1 9 . 1 1 652 652 LYS N N 652 119.747 119.747 118.840 0.907 25722 1075 1 9 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.196 -0.171 25722 1076 1 9 . 1 1 653 653 VAL N N 653 120.591 120.591 117.181 3.410 25722 1077 1 9 . 1 1 653 653 VAL HA H 653 3.810 3.810 4.867 -1.057 25722 1078 1 9 . 1 1 653 653 VAL H H 653 8.290 8.290 7.704 0.586 25722 1079 1 9 . 1 1 654 654 ASP N N 654 119.962 119.962 118.628 1.334 25722 1080 1 9 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.643 -0.649 25722 1081 1 9 . 1 1 654 654 ASP H H 654 7.886 7.886 8.000 -0.114 25722 1082 1 9 . 1 1 655 655 PHE N N 655 123.205 123.205 120.355 2.850 25722 1083 1 9 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.728 -0.268 25722 1084 1 9 . 1 1 655 655 PHE H H 655 8.357 8.357 7.465 0.892 25722 1085 1 9 . 1 1 656 656 ILE N N 656 122.329 122.329 117.967 4.362 25722 1086 1 9 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.857 0.273 25722 1087 1 9 . 1 1 656 656 ILE H H 656 7.150 7.150 8.953 -1.803 25722 1088 1 9 . 1 1 657 657 LEU N N 657 123.105 123.105 121.317 1.788 25722 1089 1 9 . 1 1 657 657 LEU HA H 657 4.402 4.402 3.857 0.545 25722 1090 1 9 . 1 1 657 657 LEU H H 657 9.010 9.010 8.268 0.742 25722 1091 1 9 . 1 1 658 658 GLN N N 658 114.550 114.550 115.633 -1.083 25722 1092 1 9 . 1 1 658 658 GLN H H 658 6.964 6.964 7.856 -0.892 25722 1093 1 9 . 1 1 659 659 ARG N N 659 116.034 116.034 115.960 0.074 25722 1094 1 9 . 1 1 659 659 ARG H H 659 7.479 7.479 7.738 -0.259 25722 1095 1 9 . 1 1 660 660 GLU N N 660 117.630 117.630 117.764 -0.134 25722 1096 1 9 . 1 1 660 660 GLU H H 660 8.835 8.835 8.530 0.305 25722 1097 1 9 . 1 1 662 662 TYR N N 662 119.800 119.800 118.283 1.517 25722 1098 1 9 . 1 1 662 662 TYR H H 662 8.221 8.221 8.484 -0.263 25722 1099 1 9 . 1 1 663 663 CYS N N 663 118.319 118.319 116.381 1.938 25722 1100 1 9 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.973 0.357 25722 1101 1 9 . 1 1 663 663 CYS H H 663 8.233 8.233 8.387 -0.154 25722 1102 1 9 . 1 1 664 664 ARG N N 664 114.391 114.391 119.619 -5.228 25722 1103 1 9 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.093 -0.007 25722 1104 1 9 . 1 1 664 664 ARG H H 664 7.268 7.268 7.665 -0.397 25722 1105 1 9 . 1 1 665 665 ASP N N 665 122.897 122.897 119.893 3.004 25722 1106 1 9 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.310 0.280 25722 1107 1 9 . 1 1 665 665 ASP H H 665 8.620 8.620 7.778 0.842 25722 1108 1 9 . 1 1 666 666 ILE N N 666 116.620 116.620 119.022 -2.402 25722 1109 1 9 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.755 0.055 25722 1110 1 9 . 1 1 666 666 ILE H H 666 6.976 6.976 7.319 -0.343 25722 1111 1 9 . 1 1 667 667 ASN N N 667 124.762 124.762 118.774 5.988 25722 1112 1 9 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.313 0.007 25722 1113 1 9 . 1 1 667 667 ASN H H 667 7.397 7.397 7.544 -0.147 25722 1114 1 9 . 1 1 668 668 GLN N N 668 114.391 114.391 119.326 -4.935 25722 1115 1 9 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.133 0.800 25722 1116 1 9 . 1 1 668 668 GLN H H 668 7.267 7.267 7.926 -0.659 25722 1117 1 9 . 1 1 669 669 LEU N N 669 121.387 121.387 119.922 1.465 25722 1118 1 9 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.913 -0.553 25722 1119 1 9 . 1 1 669 669 LEU H H 669 8.309 8.309 7.643 0.666 25722 1120 1 9 . 1 1 670 670 SER N N 670 112.305 112.305 113.329 -1.024 25722 1121 1 9 . 1 1 670 670 SER HA H 670 4.304 4.304 4.100 0.204 25722 1122 1 9 . 1 1 670 670 SER H H 670 7.448 7.448 7.937 -0.489 25722 1123 1 9 . 1 1 671 671 GLU N N 671 120.749 120.749 121.201 -0.452 25722 1124 1 9 . 1 1 671 671 GLU HA H 671 4.011 4.011 3.841 0.170 25722 1125 1 9 . 1 1 671 671 GLU H H 671 7.831 7.831 8.028 -0.197 25722 1126 1 9 . 1 1 672 672 ALA N N 672 119.688 119.688 122.427 -2.739 25722 1127 1 9 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.402 -0.318 25722 1128 1 9 . 1 1 672 672 ALA H H 672 7.728 7.728 6.875 0.853 25722 1129 1 9 . 1 1 673 673 LEU N N 673 119.258 119.258 118.814 0.444 25722 1130 1 9 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.130 -0.760 25722 1131 1 9 . 1 1 673 673 LEU H H 673 8.166 8.166 8.379 -0.213 25722 1132 1 9 . 1 1 674 674 LEU N N 674 121.499 121.499 119.564 1.935 25722 1133 1 9 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.219 -0.393 25722 1134 1 9 . 1 1 674 674 LEU H H 674 7.780 7.780 7.466 0.314 25722 1135 1 9 . 1 1 675 675 SER N N 675 109.742 109.742 114.718 -4.976 25722 1136 1 9 . 1 1 675 675 SER HA H 675 4.694 4.694 4.317 0.377 25722 1137 1 9 . 1 1 675 675 SER H H 675 8.277 8.277 8.419 -0.142 25722 1138 1 9 . 1 1 676 676 LEU N N 676 121.811 121.811 121.527 0.284 25722 1139 1 9 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.247 -0.202 25722 1140 1 9 . 1 1 676 676 LEU H H 676 7.780 7.780 7.668 0.112 25722 1141 1 9 . 1 1 677 677 ASN N N 677 122.526 122.526 116.833 5.693 25722 1142 1 9 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.535 0.270 25722 1143 1 9 . 1 1 677 677 ASN H H 677 7.710 7.710 7.705 0.005 25722 1144 1 10 . 1 1 628 628 GLY N N 628 113.006 113.006 108.002 5.004 25722 1145 1 10 . 1 1 628 628 GLY H H 628 8.727 8.727 8.361 0.366 25722 1146 1 10 . 1 1 629 629 ILE N N 629 122.730 122.730 120.159 2.571 25722 1147 1 10 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.575 -0.327 25722 1148 1 10 . 1 1 629 629 ILE H H 629 8.560 8.560 7.909 0.651 25722 1149 1 10 . 1 1 630 630 ARG N N 630 119.880 119.880 124.989 -5.109 25722 1150 1 10 . 1 1 630 630 ARG H H 630 8.029 8.029 8.627 -0.598 25722 1151 1 10 . 1 1 631 631 LYS N N 631 119.040 119.040 120.868 -1.828 25722 1152 1 10 . 1 1 631 631 LYS H H 631 8.664 8.664 8.214 0.450 25722 1153 1 10 . 1 1 632 632 THR N N 632 109.950 109.950 113.869 -3.919 25722 1154 1 10 . 1 1 632 632 THR H H 632 8.376 8.376 8.236 0.140 25722 1155 1 10 . 1 1 633 633 ARG N N 633 120.950 120.950 121.328 -0.378 25722 1156 1 10 . 1 1 633 633 ARG HA H 633 3.680 3.680 3.949 -0.269 25722 1157 1 10 . 1 1 633 633 ARG H H 633 8.017 8.017 8.740 -0.723 25722 1158 1 10 . 1 1 634 634 GLU N N 634 118.201 118.201 115.586 2.615 25722 1159 1 10 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.217 -0.137 25722 1160 1 10 . 1 1 634 634 GLU H H 634 7.260 7.260 8.423 -1.163 25722 1161 1 10 . 1 1 635 635 THR N N 635 115.274 115.274 115.198 0.076 25722 1162 1 10 . 1 1 635 635 THR H H 635 8.137 8.137 7.466 0.671 25722 1163 1 10 . 1 1 636 636 GLU N N 636 115.301 115.301 120.442 -5.141 25722 1164 1 10 . 1 1 636 636 GLU HA H 636 4.108 4.108 4.286 -0.178 25722 1165 1 10 . 1 1 636 636 GLU H H 636 8.274 8.274 7.856 0.418 25722 1166 1 10 . 1 1 637 637 ARG N N 637 120.174 120.174 119.681 0.493 25722 1167 1 10 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.161 -0.402 25722 1168 1 10 . 1 1 637 637 ARG H H 637 7.810 7.810 7.455 0.354 25722 1169 1 10 . 1 1 638 638 LEU N N 638 120.658 120.658 121.439 -0.781 25722 1170 1 10 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.385 -0.935 25722 1171 1 10 . 1 1 638 638 LEU H H 638 8.170 8.170 7.789 0.381 25722 1172 1 10 . 1 1 639 639 ARG N N 639 116.325 116.325 117.955 -1.630 25722 1173 1 10 . 1 1 639 639 ARG HA H 639 3.924 3.924 4.004 -0.080 25722 1174 1 10 . 1 1 639 639 ARG H H 639 7.510 7.510 7.341 0.169 25722 1175 1 10 . 1 1 640 640 ARG N N 640 117.904 117.904 118.482 -0.578 25722 1176 1 10 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.076 -0.061 25722 1177 1 10 . 1 1 640 640 ARG H H 640 7.925 7.925 7.576 0.349 25722 1178 1 10 . 1 1 641 641 GLN N N 641 118.203 118.203 117.421 0.782 25722 1179 1 10 . 1 1 641 641 GLN H H 641 8.682 8.682 7.770 0.912 25722 1180 1 10 . 1 1 643 643 LEU N N 643 119.140 119.140 117.282 1.858 25722 1181 1 10 . 1 1 643 643 LEU H H 643 7.139 7.139 7.586 -0.447 25722 1182 1 10 . 1 1 644 644 GLU N N 644 120.140 120.140 124.120 -3.980 25722 1183 1 10 . 1 1 644 644 GLU H H 644 8.849 8.849 8.611 0.238 25722 1184 1 10 . 1 1 645 645 VAL N N 645 119.330 119.330 125.624 -6.294 25722 1185 1 10 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.762 0.232 25722 1186 1 10 . 1 1 645 645 VAL H H 645 7.986 7.986 7.975 0.011 25722 1187 1 10 . 1 1 646 646 PHE N N 646 115.458 115.458 117.638 -2.180 25722 1188 1 10 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.354 0.047 25722 1189 1 10 . 1 1 646 646 PHE H H 646 8.027 8.027 8.195 -0.168 25722 1190 1 10 . 1 1 647 647 TRP N N 647 120.228 120.228 121.052 -0.824 25722 1191 1 10 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.669 -0.089 25722 1192 1 10 . 1 1 647 647 TRP H H 647 7.070 7.070 8.386 -1.316 25722 1193 1 10 . 1 1 648 648 GLY N N 648 108.000 108.000 106.946 1.054 25722 1194 1 10 . 1 1 648 648 GLY H H 648 8.245 8.245 8.294 -0.049 25722 1195 1 10 . 1 1 649 649 GLN N N 649 119.516 119.516 119.550 -0.034 25722 1196 1 10 . 1 1 649 649 GLN H H 649 7.682 7.682 7.829 -0.147 25722 1197 1 10 . 1 1 650 650 ASP N N 650 114.599 114.599 113.406 1.193 25722 1198 1 10 . 1 1 650 650 ASP H H 650 7.880 7.880 8.572 -0.692 25722 1199 1 10 . 1 1 651 651 HIS N N 651 126.820 126.820 119.010 7.810 25722 1200 1 10 . 1 1 651 651 HIS H H 651 8.968 8.968 8.400 0.568 25722 1201 1 10 . 1 1 652 652 LYS N N 652 119.747 119.747 118.093 1.654 25722 1202 1 10 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.120 -0.095 25722 1203 1 10 . 1 1 653 653 VAL N N 653 120.591 120.591 116.397 4.194 25722 1204 1 10 . 1 1 653 653 VAL HA H 653 3.810 3.810 2.911 0.899 25722 1205 1 10 . 1 1 653 653 VAL H H 653 8.290 8.290 7.332 0.958 25722 1206 1 10 . 1 1 654 654 ASP N N 654 119.962 119.962 118.145 1.817 25722 1207 1 10 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.097 -0.103 25722 1208 1 10 . 1 1 654 654 ASP H H 654 7.886 7.886 7.722 0.164 25722 1209 1 10 . 1 1 655 655 PHE N N 655 123.205 123.205 120.428 2.777 25722 1210 1 10 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.611 -0.151 25722 1211 1 10 . 1 1 655 655 PHE H H 655 8.357 8.357 7.189 1.168 25722 1212 1 10 . 1 1 656 656 ILE N N 656 122.329 122.329 118.026 4.303 25722 1213 1 10 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.833 0.297 25722 1214 1 10 . 1 1 656 656 ILE H H 656 7.150 7.150 8.474 -1.324 25722 1215 1 10 . 1 1 657 657 LEU N N 657 123.105 123.105 120.377 2.728 25722 1216 1 10 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.203 0.199 25722 1217 1 10 . 1 1 657 657 LEU H H 657 9.010 9.010 7.786 1.224 25722 1218 1 10 . 1 1 658 658 GLN N N 658 114.550 114.550 118.944 -4.394 25722 1219 1 10 . 1 1 658 658 GLN H H 658 6.964 6.964 7.805 -0.841 25722 1220 1 10 . 1 1 659 659 ARG N N 659 116.034 116.034 116.284 -0.250 25722 1221 1 10 . 1 1 659 659 ARG H H 659 7.479 7.479 8.054 -0.575 25722 1222 1 10 . 1 1 660 660 GLU N N 660 117.630 117.630 119.825 -2.195 25722 1223 1 10 . 1 1 660 660 GLU H H 660 8.835 8.835 7.706 1.129 25722 1224 1 10 . 1 1 662 662 TYR N N 662 119.800 119.800 118.199 1.601 25722 1225 1 10 . 1 1 662 662 TYR H H 662 8.221 8.221 8.581 -0.360 25722 1226 1 10 . 1 1 663 663 CYS N N 663 118.319 118.319 115.990 2.329 25722 1227 1 10 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.906 0.424 25722 1228 1 10 . 1 1 663 663 CYS H H 663 8.233 8.233 8.469 -0.236 25722 1229 1 10 . 1 1 664 664 ARG N N 664 114.391 114.391 119.648 -5.257 25722 1230 1 10 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.166 -0.080 25722 1231 1 10 . 1 1 664 664 ARG H H 664 7.268 7.268 7.452 -0.184 25722 1232 1 10 . 1 1 665 665 ASP N N 665 122.897 122.897 119.398 3.499 25722 1233 1 10 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.322 0.268 25722 1234 1 10 . 1 1 665 665 ASP H H 665 8.620 8.620 8.340 0.280 25722 1235 1 10 . 1 1 666 666 ILE N N 666 116.620 116.620 118.731 -2.111 25722 1236 1 10 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.835 -0.025 25722 1237 1 10 . 1 1 666 666 ILE H H 666 6.976 6.976 7.578 -0.602 25722 1238 1 10 . 1 1 667 667 ASN N N 667 124.762 124.762 119.142 5.620 25722 1239 1 10 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.340 -0.020 25722 1240 1 10 . 1 1 667 667 ASN H H 667 7.397 7.397 7.674 -0.277 25722 1241 1 10 . 1 1 668 668 GLN N N 668 114.391 114.391 119.533 -5.142 25722 1242 1 10 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.470 0.463 25722 1243 1 10 . 1 1 668 668 GLN H H 668 7.267 7.267 7.603 -0.336 25722 1244 1 10 . 1 1 669 669 LEU N N 669 121.387 121.387 120.253 1.134 25722 1245 1 10 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.971 -0.611 25722 1246 1 10 . 1 1 669 669 LEU H H 669 8.309 8.309 7.645 0.664 25722 1247 1 10 . 1 1 670 670 SER N N 670 112.305 112.305 112.586 -0.281 25722 1248 1 10 . 1 1 670 670 SER HA H 670 4.304 4.304 4.258 0.046 25722 1249 1 10 . 1 1 670 670 SER H H 670 7.448 7.448 8.726 -1.278 25722 1250 1 10 . 1 1 671 671 GLU N N 671 120.749 120.749 121.631 -0.882 25722 1251 1 10 . 1 1 671 671 GLU HA H 671 4.011 4.011 4.033 -0.022 25722 1252 1 10 . 1 1 671 671 GLU H H 671 7.831 7.831 8.216 -0.385 25722 1253 1 10 . 1 1 672 672 ALA N N 672 119.688 119.688 122.411 -2.723 25722 1254 1 10 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.422 -0.338 25722 1255 1 10 . 1 1 672 672 ALA H H 672 7.728 7.728 7.611 0.117 25722 1256 1 10 . 1 1 673 673 LEU N N 673 119.258 119.258 119.161 0.097 25722 1257 1 10 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.146 -0.776 25722 1258 1 10 . 1 1 673 673 LEU H H 673 8.166 8.166 7.701 0.465 25722 1259 1 10 . 1 1 674 674 LEU N N 674 121.499 121.499 119.276 2.223 25722 1260 1 10 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.275 -0.449 25722 1261 1 10 . 1 1 674 674 LEU H H 674 7.780 7.780 7.657 0.123 25722 1262 1 10 . 1 1 675 675 SER N N 675 109.742 109.742 115.722 -5.980 25722 1263 1 10 . 1 1 675 675 SER HA H 675 4.694 4.694 4.285 0.408 25722 1264 1 10 . 1 1 675 675 SER H H 675 8.277 8.277 8.312 -0.035 25722 1265 1 10 . 1 1 676 676 LEU N N 676 121.811 121.811 121.775 0.036 25722 1266 1 10 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.229 -0.184 25722 1267 1 10 . 1 1 676 676 LEU H H 676 7.780 7.780 8.080 -0.300 25722 1268 1 10 . 1 1 677 677 ASN N N 677 122.526 122.526 117.228 5.298 25722 1269 1 10 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.574 0.231 25722 1270 1 10 . 1 1 677 677 ASN H H 677 7.710 7.710 7.707 0.003 25722 1271 1 11 . 1 1 628 628 GLY N N 628 113.006 113.006 108.282 4.724 25722 1272 1 11 . 1 1 628 628 GLY H H 628 8.727 8.727 8.012 0.715 25722 1273 1 11 . 1 1 629 629 ILE N N 629 122.730 122.730 118.226 4.504 25722 1274 1 11 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.470 -0.222 25722 1275 1 11 . 1 1 629 629 ILE H H 629 8.560 8.560 8.126 0.434 25722 1276 1 11 . 1 1 630 630 ARG N N 630 119.880 119.880 122.286 -2.406 25722 1277 1 11 . 1 1 630 630 ARG H H 630 8.029 8.029 8.551 -0.522 25722 1278 1 11 . 1 1 631 631 LYS N N 631 119.040 119.040 121.083 -2.043 25722 1279 1 11 . 1 1 631 631 LYS H H 631 8.664 8.664 8.404 0.260 25722 1280 1 11 . 1 1 632 632 THR N N 632 109.950 109.950 113.172 -3.222 25722 1281 1 11 . 1 1 632 632 THR H H 632 8.376 8.376 8.135 0.241 25722 1282 1 11 . 1 1 633 633 ARG N N 633 120.950 120.950 120.378 0.572 25722 1283 1 11 . 1 1 633 633 ARG HA H 633 3.680 3.680 4.005 -0.325 25722 1284 1 11 . 1 1 633 633 ARG H H 633 8.017 8.017 8.458 -0.441 25722 1285 1 11 . 1 1 634 634 GLU N N 634 118.201 118.201 116.169 2.032 25722 1286 1 11 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.281 -0.201 25722 1287 1 11 . 1 1 634 634 GLU H H 634 7.260 7.260 8.106 -0.846 25722 1288 1 11 . 1 1 635 635 THR N N 635 115.274 115.274 116.059 -0.785 25722 1289 1 11 . 1 1 635 635 THR H H 635 8.137 8.137 7.583 0.554 25722 1290 1 11 . 1 1 636 636 GLU N N 636 115.301 115.301 120.835 -5.534 25722 1291 1 11 . 1 1 636 636 GLU HA H 636 4.108 4.108 4.073 0.035 25722 1292 1 11 . 1 1 636 636 GLU H H 636 8.274 8.274 8.206 0.068 25722 1293 1 11 . 1 1 637 637 ARG N N 637 120.174 120.174 119.355 0.819 25722 1294 1 11 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.123 -0.364 25722 1295 1 11 . 1 1 637 637 ARG H H 637 7.810 7.810 7.759 0.051 25722 1296 1 11 . 1 1 638 638 LEU N N 638 120.658 120.658 119.455 1.203 25722 1297 1 11 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.014 -0.564 25722 1298 1 11 . 1 1 638 638 LEU H H 638 8.170 8.170 7.613 0.557 25722 1299 1 11 . 1 1 639 639 ARG N N 639 116.325 116.325 118.873 -2.548 25722 1300 1 11 . 1 1 639 639 ARG HA H 639 3.924 3.924 4.082 -0.158 25722 1301 1 11 . 1 1 639 639 ARG H H 639 7.510 7.510 7.747 -0.237 25722 1302 1 11 . 1 1 640 640 ARG N N 640 117.904 117.904 118.206 -0.302 25722 1303 1 11 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.210 -0.195 25722 1304 1 11 . 1 1 640 640 ARG H H 640 7.925 7.925 8.058 -0.133 25722 1305 1 11 . 1 1 641 641 GLN N N 641 118.203 118.203 117.926 0.277 25722 1306 1 11 . 1 1 641 641 GLN H H 641 8.682 8.682 7.817 0.865 25722 1307 1 11 . 1 1 643 643 LEU N N 643 119.140 119.140 120.612 -1.472 25722 1308 1 11 . 1 1 643 643 LEU H H 643 7.139 7.139 7.549 -0.410 25722 1309 1 11 . 1 1 644 644 GLU N N 644 120.140 120.140 118.425 1.715 25722 1310 1 11 . 1 1 644 644 GLU H H 644 8.849 8.849 8.512 0.337 25722 1311 1 11 . 1 1 645 645 VAL N N 645 119.330 119.330 121.012 -1.682 25722 1312 1 11 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.828 0.166 25722 1313 1 11 . 1 1 645 645 VAL H H 645 7.986 7.986 8.352 -0.366 25722 1314 1 11 . 1 1 646 646 PHE N N 646 115.458 115.458 118.671 -3.213 25722 1315 1 11 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.476 -0.075 25722 1316 1 11 . 1 1 646 646 PHE H H 646 8.027 8.027 7.721 0.306 25722 1317 1 11 . 1 1 647 647 TRP N N 647 120.228 120.228 121.581 -1.353 25722 1318 1 11 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.780 -0.200 25722 1319 1 11 . 1 1 647 647 TRP H H 647 7.070 7.070 8.391 -1.321 25722 1320 1 11 . 1 1 648 648 GLY N N 648 108.000 108.000 104.723 3.277 25722 1321 1 11 . 1 1 648 648 GLY H H 648 8.245 8.245 8.165 0.080 25722 1322 1 11 . 1 1 649 649 GLN N N 649 119.516 119.516 121.119 -1.603 25722 1323 1 11 . 1 1 649 649 GLN H H 649 7.682 7.682 7.375 0.307 25722 1324 1 11 . 1 1 650 650 ASP N N 650 114.599 114.599 125.026 -10.427 25722 1325 1 11 . 1 1 650 650 ASP H H 650 7.880 7.880 8.695 -0.815 25722 1326 1 11 . 1 1 651 651 HIS N N 651 126.820 126.820 118.371 8.449 25722 1327 1 11 . 1 1 651 651 HIS H H 651 8.968 8.968 8.360 0.608 25722 1328 1 11 . 1 1 652 652 LYS N N 652 119.747 119.747 117.826 1.921 25722 1329 1 11 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.048 -0.023 25722 1330 1 11 . 1 1 653 653 VAL N N 653 120.591 120.591 115.886 4.705 25722 1331 1 11 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.589 0.221 25722 1332 1 11 . 1 1 653 653 VAL H H 653 8.290 8.290 7.687 0.603 25722 1333 1 11 . 1 1 654 654 ASP N N 654 119.962 119.962 119.509 0.453 25722 1334 1 11 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.775 -0.781 25722 1335 1 11 . 1 1 654 654 ASP H H 654 7.886 7.886 8.299 -0.413 25722 1336 1 11 . 1 1 655 655 PHE N N 655 123.205 123.205 120.307 2.898 25722 1337 1 11 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.144 0.316 25722 1338 1 11 . 1 1 655 655 PHE H H 655 8.357 8.357 7.338 1.019 25722 1339 1 11 . 1 1 656 656 ILE N N 656 122.329 122.329 117.677 4.652 25722 1340 1 11 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.804 0.326 25722 1341 1 11 . 1 1 656 656 ILE H H 656 7.150 7.150 8.643 -1.493 25722 1342 1 11 . 1 1 657 657 LEU N N 657 123.105 123.105 119.877 3.228 25722 1343 1 11 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.116 0.286 25722 1344 1 11 . 1 1 657 657 LEU H H 657 9.010 9.010 7.590 1.420 25722 1345 1 11 . 1 1 658 658 GLN N N 658 114.550 114.550 116.519 -1.969 25722 1346 1 11 . 1 1 658 658 GLN H H 658 6.964 6.964 7.604 -0.640 25722 1347 1 11 . 1 1 659 659 ARG N N 659 116.034 116.034 118.869 -2.835 25722 1348 1 11 . 1 1 659 659 ARG H H 659 7.479 7.479 7.499 -0.020 25722 1349 1 11 . 1 1 660 660 GLU N N 660 117.630 117.630 119.445 -1.815 25722 1350 1 11 . 1 1 660 660 GLU H H 660 8.835 8.835 8.572 0.263 25722 1351 1 11 . 1 1 662 662 TYR N N 662 119.800 119.800 120.517 -0.717 25722 1352 1 11 . 1 1 662 662 TYR H H 662 8.221 8.221 8.629 -0.408 25722 1353 1 11 . 1 1 663 663 CYS N N 663 118.319 118.319 116.702 1.617 25722 1354 1 11 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.985 0.345 25722 1355 1 11 . 1 1 663 663 CYS H H 663 8.233 8.233 8.451 -0.218 25722 1356 1 11 . 1 1 664 664 ARG N N 664 114.391 114.391 118.551 -4.160 25722 1357 1 11 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.108 -0.022 25722 1358 1 11 . 1 1 664 664 ARG H H 664 7.268 7.268 8.181 -0.913 25722 1359 1 11 . 1 1 665 665 ASP N N 665 122.897 122.897 119.261 3.636 25722 1360 1 11 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.346 0.244 25722 1361 1 11 . 1 1 665 665 ASP H H 665 8.620 8.620 7.571 1.049 25722 1362 1 11 . 1 1 666 666 ILE N N 666 116.620 116.620 118.896 -2.276 25722 1363 1 11 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.769 0.041 25722 1364 1 11 . 1 1 666 666 ILE H H 666 6.976 6.976 7.361 -0.385 25722 1365 1 11 . 1 1 667 667 ASN N N 667 124.762 124.762 119.137 5.625 25722 1366 1 11 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.300 0.020 25722 1367 1 11 . 1 1 667 667 ASN H H 667 7.397 7.397 7.659 -0.262 25722 1368 1 11 . 1 1 668 668 GLN N N 668 114.391 114.391 119.478 -5.087 25722 1369 1 11 . 1 1 668 668 GLN HA H 668 4.933 4.933 3.799 1.134 25722 1370 1 11 . 1 1 668 668 GLN H H 668 7.267 7.267 7.625 -0.358 25722 1371 1 11 . 1 1 669 669 LEU N N 669 121.387 121.387 121.096 0.291 25722 1372 1 11 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.770 -0.410 25722 1373 1 11 . 1 1 669 669 LEU H H 669 8.309 8.309 7.540 0.769 25722 1374 1 11 . 1 1 670 670 SER N N 670 112.305 112.305 112.751 -0.446 25722 1375 1 11 . 1 1 670 670 SER HA H 670 4.304 4.304 4.128 0.176 25722 1376 1 11 . 1 1 670 670 SER H H 670 7.448 7.448 8.596 -1.148 25722 1377 1 11 . 1 1 671 671 GLU N N 671 120.749 120.749 120.938 -0.189 25722 1378 1 11 . 1 1 671 671 GLU HA H 671 4.011 4.011 3.948 0.063 25722 1379 1 11 . 1 1 671 671 GLU H H 671 7.831 7.831 7.873 -0.042 25722 1380 1 11 . 1 1 672 672 ALA N N 672 119.688 119.688 122.160 -2.472 25722 1381 1 11 . 1 1 672 672 ALA HA H 672 4.084 4.084 3.591 0.493 25722 1382 1 11 . 1 1 672 672 ALA H H 672 7.728 7.728 6.592 1.136 25722 1383 1 11 . 1 1 673 673 LEU N N 673 119.258 119.258 118.608 0.650 25722 1384 1 11 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.036 -0.666 25722 1385 1 11 . 1 1 673 673 LEU H H 673 8.166 8.166 8.399 -0.233 25722 1386 1 11 . 1 1 674 674 LEU N N 674 121.499 121.499 119.514 1.985 25722 1387 1 11 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.225 -0.399 25722 1388 1 11 . 1 1 674 674 LEU H H 674 7.780 7.780 7.460 0.320 25722 1389 1 11 . 1 1 675 675 SER N N 675 109.742 109.742 114.800 -5.058 25722 1390 1 11 . 1 1 675 675 SER HA H 675 4.694 4.694 4.356 0.338 25722 1391 1 11 . 1 1 675 675 SER H H 675 8.277 8.277 8.484 -0.207 25722 1392 1 11 . 1 1 676 676 LEU N N 676 121.811 121.811 121.970 -0.159 25722 1393 1 11 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.180 -0.135 25722 1394 1 11 . 1 1 676 676 LEU H H 676 7.780 7.780 7.751 0.029 25722 1395 1 11 . 1 1 677 677 ASN N N 677 122.526 122.526 117.269 5.257 25722 1396 1 11 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.529 0.276 25722 1397 1 11 . 1 1 677 677 ASN H H 677 7.710 7.710 7.717 -0.007 25722 1398 1 12 . 1 1 628 628 GLY N N 628 113.006 113.006 108.907 4.099 25722 1399 1 12 . 1 1 628 628 GLY H H 628 8.727 8.727 8.604 0.123 25722 1400 1 12 . 1 1 629 629 ILE N N 629 122.730 122.730 120.440 2.290 25722 1401 1 12 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.488 -0.240 25722 1402 1 12 . 1 1 629 629 ILE H H 629 8.560 8.560 7.978 0.582 25722 1403 1 12 . 1 1 630 630 ARG N N 630 119.880 119.880 128.536 -8.656 25722 1404 1 12 . 1 1 630 630 ARG H H 630 8.029 8.029 8.582 -0.553 25722 1405 1 12 . 1 1 631 631 LYS N N 631 119.040 119.040 125.176 -6.136 25722 1406 1 12 . 1 1 631 631 LYS H H 631 8.664 8.664 8.395 0.269 25722 1407 1 12 . 1 1 632 632 THR N N 632 109.950 109.950 117.336 -7.386 25722 1408 1 12 . 1 1 632 632 THR H H 632 8.376 8.376 8.735 -0.359 25722 1409 1 12 . 1 1 633 633 ARG N N 633 120.950 120.950 120.016 0.934 25722 1410 1 12 . 1 1 633 633 ARG HA H 633 3.680 3.680 3.950 -0.270 25722 1411 1 12 . 1 1 633 633 ARG H H 633 8.017 8.017 8.489 -0.472 25722 1412 1 12 . 1 1 634 634 GLU N N 634 118.201 118.201 115.699 2.502 25722 1413 1 12 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.223 -0.143 25722 1414 1 12 . 1 1 634 634 GLU H H 634 7.260 7.260 7.989 -0.729 25722 1415 1 12 . 1 1 635 635 THR N N 635 115.274 115.274 114.039 1.235 25722 1416 1 12 . 1 1 635 635 THR H H 635 8.137 8.137 8.086 0.051 25722 1417 1 12 . 1 1 636 636 GLU N N 636 115.301 115.301 120.191 -4.890 25722 1418 1 12 . 1 1 636 636 GLU HA H 636 4.108 4.108 3.852 0.256 25722 1419 1 12 . 1 1 636 636 GLU H H 636 8.274 8.274 8.170 0.104 25722 1420 1 12 . 1 1 637 637 ARG N N 637 120.174 120.174 119.065 1.109 25722 1421 1 12 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.050 -0.291 25722 1422 1 12 . 1 1 637 637 ARG H H 637 7.810 7.810 7.701 0.109 25722 1423 1 12 . 1 1 638 638 LEU N N 638 120.658 120.658 119.895 0.763 25722 1424 1 12 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.008 -0.558 25722 1425 1 12 . 1 1 638 638 LEU H H 638 8.170 8.170 7.553 0.617 25722 1426 1 12 . 1 1 639 639 ARG N N 639 116.325 116.325 118.877 -2.552 25722 1427 1 12 . 1 1 639 639 ARG HA H 639 3.924 3.924 4.008 -0.084 25722 1428 1 12 . 1 1 639 639 ARG H H 639 7.510 7.510 7.368 0.142 25722 1429 1 12 . 1 1 640 640 ARG N N 640 117.904 117.904 117.799 0.105 25722 1430 1 12 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.096 -0.081 25722 1431 1 12 . 1 1 640 640 ARG H H 640 7.925 7.925 8.153 -0.228 25722 1432 1 12 . 1 1 641 641 GLN N N 641 118.203 118.203 117.823 0.380 25722 1433 1 12 . 1 1 641 641 GLN H H 641 8.682 8.682 7.840 0.842 25722 1434 1 12 . 1 1 643 643 LEU N N 643 119.140 119.140 121.278 -2.138 25722 1435 1 12 . 1 1 643 643 LEU H H 643 7.139 7.139 7.951 -0.812 25722 1436 1 12 . 1 1 644 644 GLU N N 644 120.140 120.140 118.224 1.916 25722 1437 1 12 . 1 1 644 644 GLU H H 644 8.849 8.849 8.186 0.663 25722 1438 1 12 . 1 1 645 645 VAL N N 645 119.330 119.330 118.065 1.265 25722 1439 1 12 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.860 0.134 25722 1440 1 12 . 1 1 645 645 VAL H H 645 7.986 7.986 8.111 -0.125 25722 1441 1 12 . 1 1 646 646 PHE N N 646 115.458 115.458 118.625 -3.167 25722 1442 1 12 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.455 -0.054 25722 1443 1 12 . 1 1 646 646 PHE H H 646 8.027 8.027 7.972 0.055 25722 1444 1 12 . 1 1 647 647 TRP N N 647 120.228 120.228 120.518 -0.290 25722 1445 1 12 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.737 -0.157 25722 1446 1 12 . 1 1 647 647 TRP H H 647 7.070 7.070 8.286 -1.216 25722 1447 1 12 . 1 1 648 648 GLY N N 648 108.000 108.000 106.311 1.689 25722 1448 1 12 . 1 1 648 648 GLY H H 648 8.245 8.245 8.667 -0.422 25722 1449 1 12 . 1 1 649 649 GLN N N 649 119.516 119.516 120.322 -0.806 25722 1450 1 12 . 1 1 649 649 GLN H H 649 7.682 7.682 7.494 0.188 25722 1451 1 12 . 1 1 650 650 ASP N N 650 114.599 114.599 124.452 -9.853 25722 1452 1 12 . 1 1 650 650 ASP H H 650 7.880 7.880 8.769 -0.889 25722 1453 1 12 . 1 1 651 651 HIS N N 651 126.820 126.820 117.293 9.527 25722 1454 1 12 . 1 1 651 651 HIS H H 651 8.968 8.968 8.241 0.727 25722 1455 1 12 . 1 1 652 652 LYS N N 652 119.747 119.747 118.824 0.923 25722 1456 1 12 . 1 1 652 652 LYS HA H 652 4.025 4.025 3.998 0.027 25722 1457 1 12 . 1 1 653 653 VAL N N 653 120.591 120.591 116.805 3.786 25722 1458 1 12 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.721 0.089 25722 1459 1 12 . 1 1 653 653 VAL H H 653 8.290 8.290 7.721 0.569 25722 1460 1 12 . 1 1 654 654 ASP N N 654 119.962 119.962 118.530 1.432 25722 1461 1 12 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.102 -0.108 25722 1462 1 12 . 1 1 654 654 ASP H H 654 7.886 7.886 7.581 0.305 25722 1463 1 12 . 1 1 655 655 PHE N N 655 123.205 123.205 119.180 4.025 25722 1464 1 12 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.134 0.326 25722 1465 1 12 . 1 1 655 655 PHE H H 655 8.357 8.357 7.178 1.179 25722 1466 1 12 . 1 1 656 656 ILE N N 656 122.329 122.329 117.652 4.677 25722 1467 1 12 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.952 0.178 25722 1468 1 12 . 1 1 656 656 ILE H H 656 7.150 7.150 8.327 -1.177 25722 1469 1 12 . 1 1 657 657 LEU N N 657 123.105 123.105 119.685 3.420 25722 1470 1 12 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.253 0.149 25722 1471 1 12 . 1 1 657 657 LEU H H 657 9.010 9.010 7.609 1.401 25722 1472 1 12 . 1 1 658 658 GLN N N 658 114.550 114.550 119.015 -4.465 25722 1473 1 12 . 1 1 658 658 GLN H H 658 6.964 6.964 7.449 -0.485 25722 1474 1 12 . 1 1 659 659 ARG N N 659 116.034 116.034 119.716 -3.682 25722 1475 1 12 . 1 1 659 659 ARG H H 659 7.479 7.479 8.427 -0.948 25722 1476 1 12 . 1 1 660 660 GLU N N 660 117.630 117.630 118.627 -0.997 25722 1477 1 12 . 1 1 660 660 GLU H H 660 8.835 8.835 7.716 1.119 25722 1478 1 12 . 1 1 662 662 TYR N N 662 119.800 119.800 118.356 1.444 25722 1479 1 12 . 1 1 662 662 TYR H H 662 8.221 8.221 8.533 -0.312 25722 1480 1 12 . 1 1 663 663 CYS N N 663 118.319 118.319 116.266 2.053 25722 1481 1 12 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.973 0.357 25722 1482 1 12 . 1 1 663 663 CYS H H 663 8.233 8.233 8.434 -0.201 25722 1483 1 12 . 1 1 664 664 ARG N N 664 114.391 114.391 119.409 -5.018 25722 1484 1 12 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.093 -0.007 25722 1485 1 12 . 1 1 664 664 ARG H H 664 7.268 7.268 8.094 -0.826 25722 1486 1 12 . 1 1 665 665 ASP N N 665 122.897 122.897 119.051 3.846 25722 1487 1 12 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.336 0.254 25722 1488 1 12 . 1 1 665 665 ASP H H 665 8.620 8.620 8.217 0.403 25722 1489 1 12 . 1 1 666 666 ILE N N 666 116.620 116.620 115.978 0.642 25722 1490 1 12 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.878 -0.068 25722 1491 1 12 . 1 1 666 666 ILE H H 666 6.976 6.976 7.536 -0.560 25722 1492 1 12 . 1 1 667 667 ASN N N 667 124.762 124.762 120.411 4.351 25722 1493 1 12 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.431 -0.111 25722 1494 1 12 . 1 1 667 667 ASN H H 667 7.397 7.397 7.707 -0.310 25722 1495 1 12 . 1 1 668 668 GLN N N 668 114.391 114.391 119.812 -5.421 25722 1496 1 12 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.538 0.395 25722 1497 1 12 . 1 1 668 668 GLN H H 668 7.267 7.267 7.623 -0.356 25722 1498 1 12 . 1 1 669 669 LEU N N 669 121.387 121.387 120.426 0.961 25722 1499 1 12 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.993 -0.633 25722 1500 1 12 . 1 1 669 669 LEU H H 669 8.309 8.309 7.702 0.607 25722 1501 1 12 . 1 1 670 670 SER N N 670 112.305 112.305 112.800 -0.495 25722 1502 1 12 . 1 1 670 670 SER HA H 670 4.304 4.304 4.228 0.076 25722 1503 1 12 . 1 1 670 670 SER H H 670 7.448 7.448 8.798 -1.350 25722 1504 1 12 . 1 1 671 671 GLU N N 671 120.749 120.749 121.373 -0.624 25722 1505 1 12 . 1 1 671 671 GLU HA H 671 4.011 4.011 4.054 -0.043 25722 1506 1 12 . 1 1 671 671 GLU H H 671 7.831 7.831 8.180 -0.349 25722 1507 1 12 . 1 1 672 672 ALA N N 672 119.688 119.688 122.796 -3.108 25722 1508 1 12 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.269 -0.185 25722 1509 1 12 . 1 1 672 672 ALA H H 672 7.728 7.728 7.831 -0.103 25722 1510 1 12 . 1 1 673 673 LEU N N 673 119.258 119.258 119.201 0.057 25722 1511 1 12 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.134 -0.764 25722 1512 1 12 . 1 1 673 673 LEU H H 673 8.166 8.166 8.437 -0.271 25722 1513 1 12 . 1 1 674 674 LEU N N 674 121.499 121.499 119.897 1.602 25722 1514 1 12 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.232 -0.406 25722 1515 1 12 . 1 1 674 674 LEU H H 674 7.780 7.780 7.575 0.205 25722 1516 1 12 . 1 1 675 675 SER N N 675 109.742 109.742 114.624 -4.882 25722 1517 1 12 . 1 1 675 675 SER HA H 675 4.694 4.694 4.324 0.370 25722 1518 1 12 . 1 1 675 675 SER H H 675 8.277 8.277 8.147 0.130 25722 1519 1 12 . 1 1 676 676 LEU N N 676 121.811 121.811 121.926 -0.115 25722 1520 1 12 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.233 -0.188 25722 1521 1 12 . 1 1 676 676 LEU H H 676 7.780 7.780 7.904 -0.124 25722 1522 1 12 . 1 1 677 677 ASN N N 677 122.526 122.526 116.951 5.575 25722 1523 1 12 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.550 0.255 25722 1524 1 12 . 1 1 677 677 ASN H H 677 7.710 7.710 7.845 -0.135 25722 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 48 3.689 0.085 3.727 25722 2 1 1 "Average Difference" HA 34 0.379 -0.018 0.384 25722 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25722 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25722 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25722 6 1 1 "Average Difference" HN 47 0.629 0.061 0.633 25722 7 1 2 "Average Difference" N 48 3.498 -0.108 3.534 25722 8 1 2 "Average Difference" HA 34 0.403 -0.038 0.407 25722 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25722 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25722 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25722 12 1 2 "Average Difference" HN 47 0.646 0.007 0.653 25722 13 1 3 "Average Difference" N 48 3.343 -0.227 3.370 25722 14 1 3 "Average Difference" HA 34 0.432 0.010 0.438 25722 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25722 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25722 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25722 18 1 3 "Average Difference" HN 47 0.549 -0.005 0.555 25722 19 1 4 "Average Difference" N 48 3.388 -0.300 3.411 25722 20 1 4 "Average Difference" HA 34 0.505 -0.017 0.512 25722 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25722 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25722 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25722 24 1 4 "Average Difference" HN 47 0.688 0.063 0.692 25722 25 1 5 "Average Difference" N 48 3.515 0.289 3.540 25722 26 1 5 "Average Difference" HA 34 0.315 0.032 0.318 25722 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25722 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25722 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25722 30 1 5 "Average Difference" HN 47 0.595 0.065 0.598 25722 31 1 6 "Average Difference" N 48 3.256 0.428 3.262 25722 32 1 6 "Average Difference" HA 34 0.350 0.045 0.353 25722 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25722 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25722 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25722 36 1 6 "Average Difference" HN 47 0.615 0.077 0.617 25722 37 1 7 "Average Difference" N 48 3.331 -0.093 3.365 25722 38 1 7 "Average Difference" HA 34 0.319 0.019 0.323 25722 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25722 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25722 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25722 42 1 7 "Average Difference" HN 47 0.625 0.079 0.627 25722 43 1 8 "Average Difference" N 48 3.446 -0.047 3.482 25722 44 1 8 "Average Difference" HA 34 0.290 0.018 0.294 25722 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25722 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25722 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25722 48 1 8 "Average Difference" HN 47 0.680 0.029 0.687 25722 49 1 9 "Average Difference" N 48 3.040 -0.163 3.067 25722 50 1 9 "Average Difference" HA 34 0.434 0.040 0.438 25722 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25722 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25722 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25722 54 1 9 "Average Difference" HN 47 0.586 0.018 0.592 25722 55 1 10 "Average Difference" N 48 3.267 -0.018 3.302 25722 56 1 10 "Average Difference" HA 34 0.358 0.051 0.359 25722 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25722 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25722 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25722 60 1 10 "Average Difference" HN 47 0.636 0.001 0.643 25722 61 1 11 "Average Difference" N 48 3.425 -0.015 3.461 25722 62 1 11 "Average Difference" HA 34 0.398 -0.032 0.402 25722 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25722 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25722 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25722 66 1 11 "Average Difference" HN 47 0.636 -0.003 0.643 25722 67 1 12 "Average Difference" N 48 3.837 0.168 3.874 25722 68 1 12 "Average Difference" HA 34 0.286 0.030 0.288 25722 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25722 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25722 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25722 72 1 12 "Average Difference" HN 47 0.627 0.062 0.631 25722 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 25722 _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 1 628 628 GLY N N 628 113.006 113.006 108.801 4.205 25722 2 1 . 1 1 628 628 GLY H H 628 8.727 8.727 8.331 0.396 25722 3 1 . 1 1 629 629 ILE N N 629 122.730 122.730 118.829 3.901 25722 4 1 . 1 1 629 629 ILE HA H 629 4.248 4.248 4.407 -0.159 25722 5 1 . 1 1 629 629 ILE H H 629 8.560 8.560 8.021 0.539 25722 6 1 . 1 1 630 630 ARG N N 630 119.880 119.880 123.693 -3.813 25722 7 1 . 1 1 630 630 ARG H H 630 8.029 8.029 8.427 -0.398 25722 8 1 . 1 1 631 631 LYS N N 631 119.040 119.040 121.122 -2.082 25722 9 1 . 1 1 631 631 LYS H H 631 8.664 8.664 8.416 0.248 25722 10 1 . 1 1 632 632 THR N N 632 109.950 109.950 114.324 -4.374 25722 11 1 . 1 1 632 632 THR H H 632 8.376 8.376 8.234 0.142 25722 12 1 . 1 1 633 633 ARG N N 633 120.950 120.950 120.460 0.490 25722 13 1 . 1 1 633 633 ARG HA H 633 3.680 3.680 3.984 -0.304 25722 14 1 . 1 1 633 633 ARG H H 633 8.017 8.017 8.556 -0.539 25722 15 1 . 1 1 634 634 GLU N N 634 118.201 118.201 116.733 1.468 25722 16 1 . 1 1 634 634 GLU HA H 634 4.080 4.080 4.193 -0.113 25722 17 1 . 1 1 634 634 GLU H H 634 7.260 7.260 8.124 -0.864 25722 18 1 . 1 1 635 635 THR N N 635 115.274 115.274 114.924 0.350 25722 19 1 . 1 1 635 635 THR H H 635 8.137 8.137 7.719 0.418 25722 20 1 . 1 1 636 636 GLU N N 636 115.301 115.301 120.619 -5.318 25722 21 1 . 1 1 636 636 GLU HA H 636 4.108 4.108 4.025 0.083 25722 22 1 . 1 1 636 636 GLU H H 636 8.274 8.274 8.089 0.185 25722 23 1 . 1 1 637 637 ARG N N 637 120.174 120.174 119.577 0.597 25722 24 1 . 1 1 637 637 ARG HA H 637 3.759 3.759 4.093 -0.334 25722 25 1 . 1 1 637 637 ARG H H 637 7.810 7.810 7.654 0.155 25722 26 1 . 1 1 638 638 LEU N N 638 120.658 120.658 120.425 0.233 25722 27 1 . 1 1 638 638 LEU HA H 638 3.450 3.450 4.205 -0.755 25722 28 1 . 1 1 638 638 LEU H H 638 8.170 8.170 7.827 0.343 25722 29 1 . 1 1 639 639 ARG N N 639 116.325 116.325 117.827 -1.502 25722 30 1 . 1 1 639 639 ARG HA H 639 3.924 3.924 3.993 -0.068 25722 31 1 . 1 1 639 639 ARG H H 639 7.510 7.510 7.568 -0.058 25722 32 1 . 1 1 640 640 ARG N N 640 117.904 117.904 117.967 -0.063 25722 33 1 . 1 1 640 640 ARG HA H 640 4.015 4.015 4.110 -0.095 25722 34 1 . 1 1 640 640 ARG H H 640 7.925 7.925 7.886 0.039 25722 35 1 . 1 1 641 641 GLN N N 641 118.203 118.203 116.131 2.072 25722 36 1 . 1 1 641 641 GLN H H 641 8.682 8.682 7.878 0.804 25722 37 1 . 1 1 643 643 LEU N N 643 119.140 119.140 120.345 -1.205 25722 38 1 . 1 1 643 643 LEU H H 643 7.139 7.139 7.805 -0.666 25722 39 1 . 1 1 644 644 GLU N N 644 120.140 120.140 122.332 -2.192 25722 40 1 . 1 1 644 644 GLU H H 644 8.849 8.849 8.529 0.320 25722 41 1 . 1 1 645 645 VAL N N 645 119.330 119.330 122.809 -3.479 25722 42 1 . 1 1 645 645 VAL HA H 645 3.994 3.994 3.795 0.199 25722 43 1 . 1 1 645 645 VAL H H 645 7.986 7.986 8.119 -0.133 25722 44 1 . 1 1 646 646 PHE N N 646 115.458 115.458 118.384 -2.926 25722 45 1 . 1 1 646 646 PHE HA H 646 4.401 4.401 4.402 -0.001 25722 46 1 . 1 1 646 646 PHE H H 646 8.027 8.027 8.024 0.003 25722 47 1 . 1 1 647 647 TRP N N 647 120.228 120.228 120.866 -0.638 25722 48 1 . 1 1 647 647 TRP HA H 647 4.580 4.580 4.663 -0.083 25722 49 1 . 1 1 647 647 TRP H H 647 7.070 7.070 8.370 -1.300 25722 50 1 . 1 1 648 648 GLY N N 648 108.000 108.000 105.076 2.924 25722 51 1 . 1 1 648 648 GLY H H 648 8.245 8.245 8.390 -0.145 25722 52 1 . 1 1 649 649 GLN N N 649 119.516 119.516 120.468 -0.952 25722 53 1 . 1 1 649 649 GLN H H 649 7.682 7.682 7.784 -0.102 25722 54 1 . 1 1 650 650 ASP N N 650 114.599 114.599 119.526 -4.927 25722 55 1 . 1 1 650 650 ASP H H 650 7.880 7.880 8.492 -0.612 25722 56 1 . 1 1 651 651 HIS N N 651 126.820 126.820 119.209 7.611 25722 57 1 . 1 1 651 651 HIS H H 651 8.968 8.968 8.411 0.557 25722 58 1 . 1 1 652 652 LYS N N 652 119.747 119.747 118.384 1.363 25722 59 1 . 1 1 652 652 LYS HA H 652 4.025 4.025 4.066 -0.041 25722 60 1 . 1 1 653 653 VAL N N 653 120.591 120.591 116.328 4.263 25722 61 1 . 1 1 653 653 VAL HA H 653 3.810 3.810 3.768 0.042 25722 62 1 . 1 1 653 653 VAL H H 653 8.290 8.290 7.656 0.634 25722 63 1 . 1 1 654 654 ASP N N 654 119.962 119.962 118.741 1.221 25722 64 1 . 1 1 654 654 ASP HA H 654 3.994 3.994 4.161 -0.167 25722 65 1 . 1 1 654 654 ASP H H 654 7.886 7.886 7.934 -0.048 25722 66 1 . 1 1 655 655 PHE N N 655 123.205 123.205 119.920 3.285 25722 67 1 . 1 1 655 655 PHE HA H 655 4.460 4.460 4.214 0.246 25722 68 1 . 1 1 655 655 PHE H H 655 8.357 8.357 7.279 1.078 25722 69 1 . 1 1 656 656 ILE N N 656 122.329 122.329 117.516 4.813 25722 70 1 . 1 1 656 656 ILE HA H 656 4.130 4.130 3.826 0.304 25722 71 1 . 1 1 656 656 ILE H H 656 7.150 7.150 8.445 -1.294 25722 72 1 . 1 1 657 657 LEU N N 657 123.105 123.105 119.973 3.132 25722 73 1 . 1 1 657 657 LEU HA H 657 4.402 4.402 4.141 0.261 25722 74 1 . 1 1 657 657 LEU H H 657 9.010 9.010 7.685 1.325 25722 75 1 . 1 1 658 658 GLN N N 658 114.550 114.550 116.956 -2.406 25722 76 1 . 1 1 658 658 GLN H H 658 6.964 6.964 7.772 -0.808 25722 77 1 . 1 1 659 659 ARG N N 659 116.034 116.034 118.375 -2.341 25722 78 1 . 1 1 659 659 ARG H H 659 7.479 7.479 7.890 -0.411 25722 79 1 . 1 1 660 660 GLU N N 660 117.630 117.630 118.816 -1.186 25722 80 1 . 1 1 660 660 GLU H H 660 8.835 8.835 8.326 0.509 25722 81 1 . 1 1 662 662 TYR N N 662 119.800 119.800 120.295 -0.495 25722 82 1 . 1 1 662 662 TYR H H 662 8.221 8.221 8.558 -0.337 25722 83 1 . 1 1 663 663 CYS N N 663 118.319 118.319 116.597 1.722 25722 84 1 . 1 1 663 663 CYS HA H 663 4.330 4.330 3.980 0.350 25722 85 1 . 1 1 663 663 CYS H H 663 8.233 8.233 8.399 -0.166 25722 86 1 . 1 1 664 664 ARG N N 664 114.391 114.391 119.361 -4.971 25722 87 1 . 1 1 664 664 ARG HA H 664 4.086 4.086 4.165 -0.079 25722 88 1 . 1 1 664 664 ARG H H 664 7.268 7.268 7.995 -0.728 25722 89 1 . 1 1 665 665 ASP N N 665 122.897 122.897 119.242 3.655 25722 90 1 . 1 1 665 665 ASP HA H 665 4.590 4.590 4.341 0.249 25722 91 1 . 1 1 665 665 ASP H H 665 8.620 8.620 7.816 0.804 25722 92 1 . 1 1 666 666 ILE N N 666 116.620 116.620 118.308 -1.688 25722 93 1 . 1 1 666 666 ILE HA H 666 3.810 3.810 3.781 0.029 25722 94 1 . 1 1 666 666 ILE H H 666 6.976 6.976 7.369 -0.393 25722 95 1 . 1 1 667 667 ASN N N 667 124.762 124.762 119.471 5.291 25722 96 1 . 1 1 667 667 ASN HA H 667 4.320 4.320 4.394 -0.074 25722 97 1 . 1 1 667 667 ASN H H 667 7.397 7.397 7.670 -0.273 25722 98 1 . 1 1 668 668 GLN N N 668 114.391 114.391 119.752 -5.361 25722 99 1 . 1 1 668 668 GLN HA H 668 4.933 4.933 4.236 0.697 25722 100 1 . 1 1 668 668 GLN H H 668 7.267 7.267 7.663 -0.396 25722 101 1 . 1 1 669 669 LEU N N 669 121.387 121.387 120.581 0.806 25722 102 1 . 1 1 669 669 LEU HA H 669 3.360 3.360 3.906 -0.546 25722 103 1 . 1 1 669 669 LEU H H 669 8.309 8.309 7.644 0.665 25722 104 1 . 1 1 670 670 SER N N 670 112.305 112.305 112.856 -0.551 25722 105 1 . 1 1 670 670 SER HA H 670 4.304 4.304 4.179 0.125 25722 106 1 . 1 1 670 670 SER H H 670 7.448 7.448 8.549 -1.101 25722 107 1 . 1 1 671 671 GLU N N 671 120.749 120.749 121.176 -0.426 25722 108 1 . 1 1 671 671 GLU HA H 671 4.011 4.011 4.019 -0.008 25722 109 1 . 1 1 671 671 GLU H H 671 7.831 7.831 8.229 -0.398 25722 110 1 . 1 1 672 672 ALA N N 672 119.688 119.688 122.715 -3.027 25722 111 1 . 1 1 672 672 ALA HA H 672 4.084 4.084 4.219 -0.135 25722 112 1 . 1 1 672 672 ALA H H 672 7.728 7.728 7.527 0.201 25722 113 1 . 1 1 673 673 LEU N N 673 119.258 119.258 119.034 0.224 25722 114 1 . 1 1 673 673 LEU HA H 673 3.370 3.370 4.128 -0.757 25722 115 1 . 1 1 673 673 LEU H H 673 8.166 8.166 8.269 -0.103 25722 116 1 . 1 1 674 674 LEU N N 674 121.499 121.499 119.561 1.938 25722 117 1 . 1 1 674 674 LEU HA H 674 3.826 3.826 4.129 -0.303 25722 118 1 . 1 1 674 674 LEU H H 674 7.780 7.780 7.544 0.236 25722 119 1 . 1 1 675 675 SER N N 675 109.742 109.742 114.916 -5.174 25722 120 1 . 1 1 675 675 SER HA H 675 4.694 4.694 4.299 0.395 25722 121 1 . 1 1 675 675 SER H H 675 8.277 8.277 8.272 0.005 25722 122 1 . 1 1 676 676 LEU N N 676 121.811 121.811 121.903 -0.092 25722 123 1 . 1 1 676 676 LEU HA H 676 4.045 4.045 4.205 -0.160 25722 124 1 . 1 1 676 676 LEU H H 676 7.780 7.780 7.820 -0.040 25722 125 1 . 1 1 677 677 ASN N N 677 122.526 122.526 116.898 5.628 25722 126 1 . 1 1 677 677 ASN HA H 677 4.805 4.805 4.560 0.245 25722 127 1 . 1 1 677 677 ASN H H 677 7.710 7.710 7.787 -0.077 25722 stop_ save_