data_18182 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18182 _Entry.PDB_ID 2LNW 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 18182 _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 2 2 ARG N N 660 123.565 123.565 122.109 1.456 18182 2 1 1 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.475 0.155 18182 3 1 1 . 1 1 2 2 ARG C C 660 173.529 173.529 174.489 -0.960 18182 4 1 1 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.119 -2.250 18182 5 1 1 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.226 1.202 18182 6 1 1 . 1 1 2 2 ARG H H 660 8.295 8.295 8.254 0.041 18182 7 1 1 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.638 0.034 18182 8 1 1 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.529 -0.117 18182 9 1 1 . 1 1 4 4 PRO C C 662 177.096 177.096 176.332 0.764 18182 10 1 1 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.646 0.650 18182 11 1 1 . 1 1 4 4 PRO CB C 662 32.022 32.022 30.619 1.403 18182 12 1 1 . 1 1 5 5 SER N N 663 116.025 116.025 117.913 -1.888 18182 13 1 1 . 1 1 5 5 SER HA H 663 4.374 4.374 4.590 -0.216 18182 14 1 1 . 1 1 5 5 SER C C 663 174.815 174.815 173.801 1.014 18182 15 1 1 . 1 1 5 5 SER CA C 663 58.797 58.797 57.202 1.595 18182 16 1 1 . 1 1 5 5 SER CB C 663 64.024 64.024 63.009 1.015 18182 17 1 1 . 1 1 5 5 SER H H 663 8.406 8.406 8.030 0.376 18182 18 1 1 . 1 1 6 6 ARG N N 664 122.062 122.062 121.112 0.950 18182 19 1 1 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.587 -0.208 18182 20 1 1 . 1 1 6 6 ARG C C 664 175.958 175.958 175.621 0.337 18182 21 1 1 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.228 0.908 18182 22 1 1 . 1 1 6 6 ARG CB C 664 30.712 30.712 29.708 1.004 18182 23 1 1 . 1 1 6 6 ARG H H 664 8.371 8.371 7.443 0.928 18182 24 1 1 . 1 1 7 7 GLU N N 665 122.160 122.160 119.611 2.549 18182 25 1 1 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.165 0.148 18182 26 1 1 . 1 1 7 7 GLU C C 665 175.842 175.842 174.904 0.938 18182 27 1 1 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.826 -0.416 18182 28 1 1 . 1 1 7 7 GLU CB C 665 29.972 29.972 30.504 -0.532 18182 29 1 1 . 1 1 7 7 GLU H H 665 8.352 8.352 8.554 -0.202 18182 30 1 1 . 1 1 8 8 ILE N N 666 123.828 123.828 123.723 0.105 18182 31 1 1 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.283 -0.443 18182 32 1 1 . 1 1 8 8 ILE C C 666 174.373 174.373 175.128 -0.755 18182 33 1 1 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.875 0.052 18182 34 1 1 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.921 0.620 18182 35 1 1 . 1 1 8 8 ILE H H 666 7.938 7.938 8.357 -0.419 18182 36 1 1 . 1 1 9 9 ASP N N 667 124.338 124.338 127.121 -2.783 18182 37 1 1 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.943 -0.324 18182 38 1 1 . 1 1 9 9 ASP C C 667 177.006 177.006 175.730 1.276 18182 39 1 1 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.392 -1.340 18182 40 1 1 . 1 1 9 9 ASP CB C 667 40.364 40.364 42.415 -2.051 18182 41 1 1 . 1 1 9 9 ASP H H 667 8.111 8.111 8.603 -0.492 18182 42 1 1 . 1 1 10 10 TYR N N 668 125.199 125.199 122.165 3.034 18182 43 1 1 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.684 -0.496 18182 44 1 1 . 1 1 10 10 TYR C C 668 175.947 175.947 177.376 -1.429 18182 45 1 1 . 1 1 10 10 TYR CA C 668 60.683 60.683 59.758 0.925 18182 46 1 1 . 1 1 10 10 TYR CB C 668 36.236 36.236 39.040 -2.804 18182 47 1 1 . 1 1 10 10 TYR H H 668 8.495 8.495 9.042 -0.547 18182 48 1 1 . 1 1 11 11 THR N N 669 108.617 108.617 112.258 -3.641 18182 49 1 1 . 1 1 11 11 THR HA H 669 4.148 4.148 3.040 1.108 18182 50 1 1 . 1 1 11 11 THR C C 669 175.184 175.184 175.178 0.006 18182 51 1 1 . 1 1 11 11 THR CA C 669 65.022 65.022 63.885 1.137 18182 52 1 1 . 1 1 11 11 THR CB C 669 69.280 69.280 68.550 0.730 18182 53 1 1 . 1 1 11 11 THR H H 669 8.011 8.011 7.807 0.204 18182 54 1 1 . 1 1 12 12 ALA N N 670 121.275 121.275 122.389 -1.114 18182 55 1 1 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.038 0.038 18182 56 1 1 . 1 1 12 12 ALA C C 670 177.815 177.815 177.522 0.293 18182 57 1 1 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.054 -0.498 18182 58 1 1 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.236 0.638 18182 59 1 1 . 1 1 12 12 ALA H H 670 7.411 7.411 7.671 -0.260 18182 60 1 1 . 1 1 13 13 TYR N N 671 117.883 117.883 117.476 0.407 18182 61 1 1 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.280 0.021 18182 62 1 1 . 1 1 13 13 TYR C C 671 176.698 176.698 175.529 1.169 18182 63 1 1 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.110 0.876 18182 64 1 1 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.316 -0.501 18182 65 1 1 . 1 1 13 13 TYR H H 671 7.538 7.538 7.217 0.321 18182 66 1 1 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.287 0.069 18182 67 1 1 . 1 1 14 14 PRO C C 672 173.452 173.452 176.315 -2.863 18182 68 1 1 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.186 0.137 18182 69 1 1 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.995 -0.772 18182 70 1 1 . 1 1 15 15 TRP N N 673 110.044 110.044 113.598 -3.554 18182 71 1 1 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.833 -0.041 18182 72 1 1 . 1 1 15 15 TRP C C 673 175.577 175.577 174.824 0.753 18182 73 1 1 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.272 -1.115 18182 74 1 1 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.249 4.124 18182 75 1 1 . 1 1 15 15 TRP H H 673 6.229 6.229 7.207 -0.978 18182 76 1 1 . 1 1 16 16 PHE N N 674 123.205 123.205 123.914 -0.709 18182 77 1 1 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.776 0.395 18182 78 1 1 . 1 1 16 16 PHE C C 674 174.832 174.832 174.359 0.473 18182 79 1 1 . 1 1 16 16 PHE CA C 674 59.872 59.872 57.011 2.861 18182 80 1 1 . 1 1 16 16 PHE CB C 674 40.208 40.208 39.256 0.952 18182 81 1 1 . 1 1 16 16 PHE H H 674 7.625 7.625 7.431 0.194 18182 82 1 1 . 1 1 17 17 ALA N N 675 130.669 130.669 130.476 0.193 18182 83 1 1 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.763 0.185 18182 84 1 1 . 1 1 17 17 ALA C C 675 177.266 177.266 176.623 0.643 18182 85 1 1 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.360 0.908 18182 86 1 1 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.269 1.159 18182 87 1 1 . 1 1 17 17 ALA H H 675 9.097 9.097 8.282 0.815 18182 88 1 1 . 1 1 18 18 GLY C C 676 174.230 174.230 174.013 0.217 18182 89 1 1 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.848 2.082 18182 90 1 1 . 1 1 19 19 ASN N N 677 124.910 124.910 120.317 4.593 18182 91 1 1 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.729 0.165 18182 92 1 1 . 1 1 19 19 ASN C C 677 174.597 174.597 174.538 0.059 18182 93 1 1 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.289 -0.347 18182 94 1 1 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.163 -1.204 18182 95 1 1 . 1 1 19 19 ASN H H 677 8.682 8.682 8.571 0.111 18182 96 1 1 . 1 1 20 20 MET N N 678 122.347 122.347 122.017 0.330 18182 97 1 1 . 1 1 20 20 MET HA H 678 4.115 4.115 4.548 -0.433 18182 98 1 1 . 1 1 20 20 MET C C 678 175.451 175.451 175.918 -0.467 18182 99 1 1 . 1 1 20 20 MET CA C 678 56.675 56.675 55.132 1.543 18182 100 1 1 . 1 1 20 20 MET CB C 678 35.208 35.208 34.666 0.542 18182 101 1 1 . 1 1 20 20 MET H H 678 7.006 7.006 7.754 -0.748 18182 102 1 1 . 1 1 21 21 GLU N N 679 124.989 124.989 122.243 2.746 18182 103 1 1 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.404 -0.113 18182 104 1 1 . 1 1 21 21 GLU C C 679 178.232 178.232 177.018 1.214 18182 105 1 1 . 1 1 21 21 GLU CA C 679 56.127 56.127 56.550 -0.423 18182 106 1 1 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.039 -0.107 18182 107 1 1 . 1 1 21 21 GLU H H 679 8.761 8.761 8.709 0.052 18182 108 1 1 . 1 1 22 22 ARG N N 680 125.521 125.521 122.426 3.095 18182 109 1 1 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.056 -0.720 18182 110 1 1 . 1 1 22 22 ARG C C 680 177.707 177.707 178.215 -0.508 18182 111 1 1 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.432 0.612 18182 112 1 1 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.998 0.059 18182 113 1 1 . 1 1 22 22 ARG H H 680 9.406 9.406 8.794 0.612 18182 114 1 1 . 1 1 23 23 GLN N N 681 117.320 117.320 118.052 -0.732 18182 115 1 1 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.094 -0.029 18182 116 1 1 . 1 1 23 23 GLN C C 681 178.317 178.317 178.096 0.221 18182 117 1 1 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.705 1.046 18182 118 1 1 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.770 0.014 18182 119 1 1 . 1 1 23 23 GLN H H 681 9.048 9.048 8.641 0.407 18182 120 1 1 . 1 1 24 24 GLN N N 682 117.909 117.909 119.818 -1.909 18182 121 1 1 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.158 -0.037 18182 122 1 1 . 1 1 24 24 GLN C C 682 178.190 178.190 178.529 -0.339 18182 123 1 1 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.996 -0.253 18182 124 1 1 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.338 -0.023 18182 125 1 1 . 1 1 24 24 GLN H H 682 7.182 7.182 8.360 -1.178 18182 126 1 1 . 1 1 25 25 THR N N 683 117.007 117.007 116.613 0.394 18182 127 1 1 . 1 1 25 25 THR HA H 683 3.681 3.681 3.942 -0.261 18182 128 1 1 . 1 1 25 25 THR C C 683 175.786 175.786 176.423 -0.637 18182 129 1 1 . 1 1 25 25 THR CA C 683 67.702 67.702 68.008 -0.306 18182 130 1 1 . 1 1 25 25 THR CB C 683 68.000 68.000 68.344 -0.344 18182 131 1 1 . 1 1 25 25 THR H H 683 7.903 7.903 7.962 -0.059 18182 132 1 1 . 1 1 26 26 ASP N N 684 122.824 122.824 121.033 1.791 18182 133 1 1 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.420 -0.140 18182 134 1 1 . 1 1 26 26 ASP C C 684 178.269 178.269 178.281 -0.012 18182 135 1 1 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.401 0.735 18182 136 1 1 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.898 -0.720 18182 137 1 1 . 1 1 26 26 ASP H H 684 8.430 8.430 7.871 0.559 18182 138 1 1 . 1 1 27 27 ASN N N 685 115.634 115.634 118.492 -2.858 18182 139 1 1 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.533 -0.174 18182 140 1 1 . 1 1 27 27 ASN C C 685 177.065 177.065 178.088 -1.023 18182 141 1 1 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.923 -0.012 18182 142 1 1 . 1 1 27 27 ASN CB C 685 38.506 38.506 39.013 -0.507 18182 143 1 1 . 1 1 27 27 ASN H H 685 7.647 7.647 7.723 -0.076 18182 144 1 1 . 1 1 28 28 LEU N N 686 120.594 120.594 122.004 -1.410 18182 145 1 1 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.091 0.138 18182 146 1 1 . 1 1 28 28 LEU C C 686 179.502 179.502 178.691 0.811 18182 147 1 1 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.347 -0.367 18182 148 1 1 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.402 0.701 18182 149 1 1 . 1 1 28 28 LEU H H 686 8.093 8.093 8.537 -0.444 18182 150 1 1 . 1 1 29 29 LEU N N 687 115.149 115.149 117.740 -2.591 18182 151 1 1 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.181 -0.099 18182 152 1 1 . 1 1 29 29 LEU C C 687 178.910 178.910 178.784 0.126 18182 153 1 1 . 1 1 29 29 LEU CA C 687 56.917 56.917 57.142 -0.225 18182 154 1 1 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.794 1.105 18182 155 1 1 . 1 1 29 29 LEU H H 687 8.386 8.386 8.320 0.066 18182 156 1 1 . 1 1 30 30 LYS N N 688 118.086 118.086 118.101 -0.015 18182 157 1 1 . 1 1 30 30 LYS HA H 688 3.738 3.738 3.926 -0.188 18182 158 1 1 . 1 1 30 30 LYS C C 688 177.312 177.312 178.970 -1.658 18182 159 1 1 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.496 1.013 18182 160 1 1 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.191 -0.101 18182 161 1 1 . 1 1 30 30 LYS H H 688 7.752 7.752 7.648 0.104 18182 162 1 1 . 1 1 31 31 SER N N 689 111.134 111.134 112.381 -1.247 18182 163 1 1 . 1 1 31 31 SER HA H 689 4.460 4.460 4.342 0.118 18182 164 1 1 . 1 1 31 31 SER C C 689 174.501 174.501 174.911 -0.410 18182 165 1 1 . 1 1 31 31 SER CA C 689 58.559 58.559 59.873 -1.314 18182 166 1 1 . 1 1 31 31 SER CB C 689 63.528 63.528 63.746 -0.218 18182 167 1 1 . 1 1 31 31 SER H H 689 7.629 7.629 7.572 0.057 18182 168 1 1 . 1 1 32 32 HIS N N 690 120.218 120.218 119.832 0.386 18182 169 1 1 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.516 0.140 18182 170 1 1 . 1 1 32 32 HIS C C 690 173.855 173.855 174.576 -0.721 18182 171 1 1 . 1 1 32 32 HIS CA C 690 56.219 56.219 57.230 -1.011 18182 172 1 1 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.863 1.061 18182 173 1 1 . 1 1 32 32 HIS H H 690 7.701 7.701 7.241 0.460 18182 174 1 1 . 1 1 33 33 ALA N N 691 120.317 120.317 123.446 -3.129 18182 175 1 1 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.700 -0.369 18182 176 1 1 . 1 1 33 33 ALA C C 691 179.494 179.494 177.215 2.279 18182 177 1 1 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.244 0.606 18182 178 1 1 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.393 -0.348 18182 179 1 1 . 1 1 33 33 ALA H H 691 8.453 8.453 8.747 -0.294 18182 180 1 1 . 1 1 34 34 SER N N 692 117.274 117.274 114.394 2.880 18182 181 1 1 . 1 1 34 34 SER HA H 692 4.089 4.089 4.260 -0.171 18182 182 1 1 . 1 1 34 34 SER C C 692 175.336 175.336 175.703 -0.367 18182 183 1 1 . 1 1 34 34 SER CA C 692 60.531 60.531 59.153 1.378 18182 184 1 1 . 1 1 34 34 SER CB C 692 63.308 63.308 63.449 -0.141 18182 185 1 1 . 1 1 34 34 SER H H 692 8.997 8.997 8.411 0.586 18182 186 1 1 . 1 1 35 35 GLY N N 693 113.573 113.573 112.019 1.554 18182 187 1 1 . 1 1 35 35 GLY C C 693 174.808 174.808 174.472 0.336 18182 188 1 1 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.270 -0.411 18182 189 1 1 . 1 1 35 35 GLY H H 693 9.926 9.926 9.438 0.488 18182 190 1 1 . 1 1 36 36 THR N N 694 121.076 121.076 120.224 0.852 18182 191 1 1 . 1 1 36 36 THR HA H 694 5.962 5.962 5.323 0.639 18182 192 1 1 . 1 1 36 36 THR C C 694 173.297 173.297 173.876 -0.579 18182 193 1 1 . 1 1 36 36 THR CA C 694 63.612 63.612 64.520 -0.908 18182 194 1 1 . 1 1 36 36 THR CB C 694 68.317 68.317 69.436 -1.119 18182 195 1 1 . 1 1 36 36 THR H H 694 8.291 8.291 7.410 0.881 18182 196 1 1 . 1 1 37 37 TYR N N 695 123.616 123.616 123.766 -0.150 18182 197 1 1 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.852 0.189 18182 198 1 1 . 1 1 37 37 TYR C C 695 171.831 171.831 173.241 -1.410 18182 199 1 1 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.833 0.472 18182 200 1 1 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.887 2.472 18182 201 1 1 . 1 1 37 37 TYR H H 695 8.805 8.805 8.941 -0.136 18182 202 1 1 . 1 1 38 38 LEU N N 696 115.449 115.449 113.969 1.480 18182 203 1 1 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.195 -0.036 18182 204 1 1 . 1 1 38 38 LEU C C 696 174.331 174.331 174.711 -0.380 18182 205 1 1 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.836 -0.979 18182 206 1 1 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.971 0.922 18182 207 1 1 . 1 1 38 38 LEU H H 696 9.105 9.105 8.620 0.485 18182 208 1 1 . 1 1 39 39 ILE N N 697 121.911 121.911 119.461 2.450 18182 209 1 1 . 1 1 39 39 ILE HA H 697 5.419 5.419 5.084 0.335 18182 210 1 1 . 1 1 39 39 ILE C C 697 173.476 173.476 175.191 -1.715 18182 211 1 1 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.452 -0.527 18182 212 1 1 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.602 -1.673 18182 213 1 1 . 1 1 39 39 ILE H H 697 9.313 9.313 8.242 1.071 18182 214 1 1 . 1 1 40 40 ARG N N 698 122.878 122.878 125.568 -2.690 18182 215 1 1 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.035 0.257 18182 216 1 1 . 1 1 40 40 ARG C C 698 174.308 174.308 174.916 -0.608 18182 217 1 1 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.701 -1.957 18182 218 1 1 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.434 0.083 18182 219 1 1 . 1 1 40 40 ARG H H 698 9.185 9.185 9.183 0.002 18182 220 1 1 . 1 1 41 41 GLU N N 699 122.405 122.405 119.845 2.560 18182 221 1 1 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.331 0.566 18182 222 1 1 . 1 1 41 41 GLU C C 699 176.242 176.242 175.393 0.849 18182 223 1 1 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.592 -0.065 18182 224 1 1 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.365 -0.232 18182 225 1 1 . 1 1 41 41 GLU H H 699 8.634 8.634 8.076 0.558 18182 226 1 1 . 1 1 42 42 ARG N N 700 125.045 125.045 122.297 2.748 18182 227 1 1 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.811 -0.117 18182 228 1 1 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.093 0.479 18182 229 1 1 . 1 1 42 42 ARG H H 700 8.639 8.639 8.186 0.453 18182 230 1 1 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.489 -0.075 18182 231 1 1 . 1 1 43 43 PRO CA C 701 63.411 63.411 62.779 0.631 18182 232 1 1 . 1 1 43 43 PRO CB C 701 30.498 30.498 29.806 0.692 18182 233 1 1 . 1 1 44 44 ALA N N 702 122.925 122.925 124.816 -1.891 18182 234 1 1 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.440 -0.118 18182 235 1 1 . 1 1 44 44 ALA C C 702 176.610 176.610 177.536 -0.926 18182 236 1 1 . 1 1 44 44 ALA CA C 702 51.802 51.802 50.556 1.246 18182 237 1 1 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.645 -0.254 18182 238 1 1 . 1 1 44 44 ALA H H 702 7.888 7.888 7.692 0.196 18182 239 1 1 . 1 1 45 45 GLU N N 703 118.799 118.799 119.709 -0.910 18182 240 1 1 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.329 -0.092 18182 241 1 1 . 1 1 45 45 GLU C C 703 176.717 176.717 177.510 -0.793 18182 242 1 1 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.154 -1.252 18182 243 1 1 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.658 0.428 18182 244 1 1 . 1 1 45 45 GLU H H 703 7.947 7.947 8.824 -0.877 18182 245 1 1 . 1 1 46 46 ALA N N 704 120.631 120.631 121.819 -1.188 18182 246 1 1 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.257 0.158 18182 247 1 1 . 1 1 46 46 ALA C C 704 178.411 178.411 177.101 1.310 18182 248 1 1 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.549 0.659 18182 249 1 1 . 1 1 46 46 ALA CB C 704 19.243 19.243 18.986 0.257 18182 250 1 1 . 1 1 46 46 ALA H H 704 8.643 8.643 8.030 0.613 18182 251 1 1 . 1 1 47 47 GLU N N 705 119.341 119.341 116.688 2.653 18182 252 1 1 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.937 -0.081 18182 253 1 1 . 1 1 47 47 GLU C C 705 176.013 176.013 175.780 0.233 18182 254 1 1 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.519 -0.661 18182 255 1 1 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.494 -3.660 18182 256 1 1 . 1 1 47 47 GLU H H 705 7.635 7.635 8.023 -0.388 18182 257 1 1 . 1 1 48 48 ARG N N 706 120.355 120.355 122.206 -1.851 18182 258 1 1 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.592 -0.627 18182 259 1 1 . 1 1 48 48 ARG C C 706 175.117 175.117 175.675 -0.558 18182 260 1 1 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.418 1.737 18182 261 1 1 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.239 -1.548 18182 262 1 1 . 1 1 48 48 ARG H H 706 7.971 7.971 8.088 -0.117 18182 263 1 1 . 1 1 49 49 PHE N N 707 112.251 112.251 117.034 -4.783 18182 264 1 1 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.902 1.003 18182 265 1 1 . 1 1 49 49 PHE C C 707 173.875 173.875 173.990 -0.115 18182 266 1 1 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.969 -2.160 18182 267 1 1 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.422 -0.346 18182 268 1 1 . 1 1 49 49 PHE H H 707 7.857 7.857 7.482 0.375 18182 269 1 1 . 1 1 50 50 ALA N N 708 118.730 118.730 122.448 -3.718 18182 270 1 1 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.015 0.439 18182 271 1 1 . 1 1 50 50 ALA C C 708 176.479 176.479 175.217 1.262 18182 272 1 1 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.878 -0.036 18182 273 1 1 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.008 -0.290 18182 274 1 1 . 1 1 50 50 ALA H H 708 9.205 9.205 9.171 0.035 18182 275 1 1 . 1 1 51 51 ILE N N 709 120.037 120.037 123.420 -3.383 18182 276 1 1 . 1 1 51 51 ILE HA H 709 4.746 4.746 5.059 -0.313 18182 277 1 1 . 1 1 51 51 ILE C C 709 175.120 175.120 175.137 -0.017 18182 278 1 1 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.065 0.658 18182 279 1 1 . 1 1 51 51 ILE CB C 709 40.300 40.300 41.540 -1.240 18182 280 1 1 . 1 1 51 51 ILE H H 709 9.262 9.262 9.043 0.219 18182 281 1 1 . 1 1 52 52 SER N N 710 125.087 125.087 119.452 5.635 18182 282 1 1 . 1 1 52 52 SER HA H 710 5.468 5.468 5.265 0.203 18182 283 1 1 . 1 1 52 52 SER C C 710 172.060 172.060 172.369 -0.309 18182 284 1 1 . 1 1 52 52 SER CA C 710 57.761 57.761 56.851 0.910 18182 285 1 1 . 1 1 52 52 SER CB C 710 65.210 65.210 65.930 -0.720 18182 286 1 1 . 1 1 52 52 SER H H 710 9.205 9.205 8.894 0.311 18182 287 1 1 . 1 1 53 53 ILE N N 711 121.753 121.753 123.101 -1.348 18182 288 1 1 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.165 0.030 18182 289 1 1 . 1 1 53 53 ILE C C 711 173.070 173.070 172.922 0.148 18182 290 1 1 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.723 -1.968 18182 291 1 1 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.189 0.168 18182 292 1 1 . 1 1 53 53 ILE H H 711 8.989 8.989 8.563 0.426 18182 293 1 1 . 1 1 54 54 LYS N N 712 128.758 128.758 127.610 1.148 18182 294 1 1 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.060 -0.273 18182 295 1 1 . 1 1 54 54 LYS C C 712 174.899 174.899 174.616 0.283 18182 296 1 1 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.337 0.030 18182 297 1 1 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.505 -1.147 18182 298 1 1 . 1 1 54 54 LYS H H 712 8.894 8.894 8.833 0.061 18182 299 1 1 . 1 1 55 55 PHE N N 713 130.369 130.369 126.728 3.641 18182 300 1 1 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.832 0.115 18182 301 1 1 . 1 1 55 55 PHE C C 713 174.238 174.238 173.980 0.258 18182 302 1 1 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.157 1.008 18182 303 1 1 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.462 -0.658 18182 304 1 1 . 1 1 55 55 PHE H H 713 9.464 9.464 8.475 0.989 18182 305 1 1 . 1 1 56 56 ASN N N 714 125.719 125.719 125.077 0.642 18182 306 1 1 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.307 -0.366 18182 307 1 1 . 1 1 56 56 ASN C C 714 174.003 174.003 174.375 -0.372 18182 308 1 1 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.956 1.274 18182 309 1 1 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.334 -1.194 18182 310 1 1 . 1 1 56 56 ASN H H 714 8.411 8.411 8.683 -0.272 18182 311 1 1 . 1 1 57 57 ASP N N 715 117.904 117.904 112.102 5.802 18182 312 1 1 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.208 0.413 18182 313 1 1 . 1 1 57 57 ASP C C 715 174.858 174.858 175.100 -0.242 18182 314 1 1 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.700 -0.518 18182 315 1 1 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.055 0.831 18182 316 1 1 . 1 1 57 57 ASP H H 715 8.542 8.542 8.748 -0.206 18182 317 1 1 . 1 1 58 58 GLU N N 716 118.707 118.707 118.839 -0.132 18182 318 1 1 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.605 0.105 18182 319 1 1 . 1 1 58 58 GLU C C 716 173.755 173.755 175.481 -1.726 18182 320 1 1 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.398 -0.351 18182 321 1 1 . 1 1 58 58 GLU CB C 716 34.286 34.286 31.991 2.295 18182 322 1 1 . 1 1 58 58 GLU H H 716 7.889 7.889 7.438 0.451 18182 323 1 1 . 1 1 59 59 VAL N N 717 120.720 120.720 127.306 -6.586 18182 324 1 1 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.182 0.248 18182 325 1 1 . 1 1 59 59 VAL C C 717 175.071 175.071 176.004 -0.933 18182 326 1 1 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.710 -0.571 18182 327 1 1 . 1 1 59 59 VAL CB C 717 32.071 32.071 30.994 1.077 18182 328 1 1 . 1 1 59 59 VAL H H 717 8.536 8.536 8.654 -0.118 18182 329 1 1 . 1 1 60 60 LYS N N 718 126.403 126.403 128.129 -1.726 18182 330 1 1 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.639 -0.084 18182 331 1 1 . 1 1 60 60 LYS C C 718 174.578 174.578 175.113 -0.535 18182 332 1 1 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.727 -0.610 18182 333 1 1 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.317 0.589 18182 334 1 1 . 1 1 60 60 LYS H H 718 8.879 8.879 8.764 0.115 18182 335 1 1 . 1 1 61 61 HIS N N 719 118.939 118.939 118.717 0.222 18182 336 1 1 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.286 0.224 18182 337 1 1 . 1 1 61 61 HIS C C 719 174.482 174.482 174.916 -0.434 18182 338 1 1 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.314 0.104 18182 339 1 1 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.946 2.303 18182 340 1 1 . 1 1 61 61 HIS H H 719 8.846 8.846 8.446 0.400 18182 341 1 1 . 1 1 62 62 ILE N N 720 124.690 124.690 124.649 0.041 18182 342 1 1 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.287 0.221 18182 343 1 1 . 1 1 62 62 ILE C C 720 176.221 176.221 174.689 1.532 18182 344 1 1 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.326 -0.043 18182 345 1 1 . 1 1 62 62 ILE CB C 720 43.022 43.022 40.507 2.515 18182 346 1 1 . 1 1 62 62 ILE H H 720 9.704 9.704 9.201 0.503 18182 347 1 1 . 1 1 63 63 LYS N N 721 126.432 126.432 127.770 -1.338 18182 348 1 1 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.401 -0.266 18182 349 1 1 . 1 1 63 63 LYS C C 721 174.783 174.783 175.316 -0.533 18182 350 1 1 . 1 1 63 63 LYS CA C 721 58.478 58.478 55.860 2.618 18182 351 1 1 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.931 0.922 18182 352 1 1 . 1 1 63 63 LYS H H 721 9.100 9.100 8.660 0.440 18182 353 1 1 . 1 1 64 64 VAL N N 722 123.306 123.306 123.234 0.072 18182 354 1 1 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.328 -0.070 18182 355 1 1 . 1 1 64 64 VAL C C 722 174.284 174.284 174.305 -0.021 18182 356 1 1 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.234 0.059 18182 357 1 1 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.822 -0.276 18182 358 1 1 . 1 1 64 64 VAL H H 722 8.441 8.441 8.028 0.413 18182 359 1 1 . 1 1 65 65 VAL N N 723 126.508 126.508 127.546 -1.038 18182 360 1 1 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.303 -0.021 18182 361 1 1 . 1 1 65 65 VAL C C 723 174.127 174.127 174.498 -0.371 18182 362 1 1 . 1 1 65 65 VAL CA C 723 61.600 61.600 61.177 0.423 18182 363 1 1 . 1 1 65 65 VAL CB C 723 33.717 33.717 32.931 0.786 18182 364 1 1 . 1 1 65 65 VAL H H 723 8.462 8.462 8.154 0.308 18182 365 1 1 . 1 1 66 66 GLU N N 724 126.016 126.016 129.836 -3.820 18182 366 1 1 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.242 -0.016 18182 367 1 1 . 1 1 66 66 GLU C C 724 175.409 175.409 174.941 0.468 18182 368 1 1 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.124 -0.373 18182 369 1 1 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.880 0.577 18182 370 1 1 . 1 1 66 66 GLU H H 724 8.619 8.619 8.758 -0.139 18182 371 1 1 . 1 1 67 67 LYS N N 725 125.813 125.813 124.983 0.830 18182 372 1 1 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.496 0.001 18182 373 1 1 . 1 1 67 67 LYS C C 725 175.635 175.635 175.417 0.218 18182 374 1 1 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.877 0.546 18182 375 1 1 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.844 -0.546 18182 376 1 1 . 1 1 67 67 LYS H H 725 8.740 8.740 8.445 0.295 18182 377 1 1 . 1 1 68 68 ASP N N 726 126.958 126.958 120.863 6.095 18182 378 1 1 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.275 -0.044 18182 379 1 1 . 1 1 68 68 ASP C C 726 174.341 174.341 174.926 -0.585 18182 380 1 1 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.474 0.778 18182 381 1 1 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.715 -0.216 18182 382 1 1 . 1 1 68 68 ASP H H 726 9.499 9.499 9.170 0.329 18182 383 1 1 . 1 1 69 69 ASN N N 727 110.214 110.214 113.211 -2.997 18182 384 1 1 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.162 0.103 18182 385 1 1 . 1 1 69 69 ASN C C 727 173.779 173.779 173.043 0.736 18182 386 1 1 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.608 0.082 18182 387 1 1 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.297 0.191 18182 388 1 1 . 1 1 69 69 ASN H H 727 8.348 8.348 8.522 -0.174 18182 389 1 1 . 1 1 70 70 TRP N N 728 119.007 119.007 114.597 4.410 18182 390 1 1 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.142 0.248 18182 391 1 1 . 1 1 70 70 TRP C C 728 174.779 174.779 174.970 -0.191 18182 392 1 1 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.297 1.529 18182 393 1 1 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.458 1.097 18182 394 1 1 . 1 1 70 70 TRP H H 728 8.063 8.063 7.457 0.606 18182 395 1 1 . 1 1 71 71 ILE N N 729 122.016 122.016 120.975 1.041 18182 396 1 1 . 1 1 71 71 ILE HA H 729 5.600 5.600 5.004 0.596 18182 397 1 1 . 1 1 71 71 ILE C C 729 175.184 175.184 174.141 1.043 18182 398 1 1 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.532 -0.679 18182 399 1 1 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.970 0.626 18182 400 1 1 . 1 1 71 71 ILE H H 729 9.378 9.378 8.918 0.460 18182 401 1 1 . 1 1 72 72 HIS N N 730 121.306 121.306 121.620 -0.314 18182 402 1 1 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.199 0.019 18182 403 1 1 . 1 1 72 72 HIS C C 730 173.714 173.714 174.406 -0.692 18182 404 1 1 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.712 0.930 18182 405 1 1 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.636 0.869 18182 406 1 1 . 1 1 72 72 HIS H H 730 9.048 9.048 8.762 0.286 18182 407 1 1 . 1 1 73 73 ILE N N 731 112.643 112.643 117.144 -4.501 18182 408 1 1 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.424 0.513 18182 409 1 1 . 1 1 73 73 ILE C C 731 175.442 175.442 175.575 -0.133 18182 410 1 1 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.132 0.546 18182 411 1 1 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.024 0.382 18182 412 1 1 . 1 1 73 73 ILE H H 731 9.499 9.499 8.811 0.688 18182 413 1 1 . 1 1 74 74 THR N N 732 115.752 115.752 111.651 4.101 18182 414 1 1 . 1 1 74 74 THR HA H 732 4.812 4.812 4.513 0.299 18182 415 1 1 . 1 1 74 74 THR C C 732 173.575 173.575 174.283 -0.708 18182 416 1 1 . 1 1 74 74 THR CA C 732 58.650 58.650 59.830 -1.180 18182 417 1 1 . 1 1 74 74 THR CB C 732 70.177 70.177 71.499 -1.321 18182 418 1 1 . 1 1 74 74 THR H H 732 8.364 8.364 7.739 0.625 18182 419 1 1 . 1 1 75 75 GLU N N 733 124.910 124.910 119.760 5.150 18182 420 1 1 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.575 -1.602 18182 421 1 1 . 1 1 75 75 GLU C C 733 175.609 175.609 175.402 0.207 18182 422 1 1 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.354 2.308 18182 423 1 1 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.266 -0.303 18182 424 1 1 . 1 1 75 75 GLU H H 733 8.754 8.754 8.850 -0.096 18182 425 1 1 . 1 1 76 76 ALA N N 734 117.847 117.847 121.627 -3.780 18182 426 1 1 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.420 -0.480 18182 427 1 1 . 1 1 76 76 ALA C C 734 177.033 177.033 177.161 -0.128 18182 428 1 1 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.801 0.373 18182 429 1 1 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.576 -1.083 18182 430 1 1 . 1 1 76 76 ALA H H 734 7.538 7.538 8.146 -0.608 18182 431 1 1 . 1 1 77 77 LYS N N 735 119.518 119.518 119.887 -0.369 18182 432 1 1 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.540 -0.429 18182 433 1 1 . 1 1 77 77 LYS C C 735 171.953 171.953 174.391 -2.438 18182 434 1 1 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.375 -0.676 18182 435 1 1 . 1 1 77 77 LYS CB C 735 33.285 33.285 34.970 -1.685 18182 436 1 1 . 1 1 77 77 LYS H H 735 7.326 7.326 8.220 -0.894 18182 437 1 1 . 1 1 78 78 LYS N N 736 123.200 123.200 117.946 5.254 18182 438 1 1 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.401 0.330 18182 439 1 1 . 1 1 78 78 LYS C C 736 175.123 175.123 174.834 0.289 18182 440 1 1 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.474 0.636 18182 441 1 1 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.629 0.341 18182 442 1 1 . 1 1 78 78 LYS H H 736 7.893 7.893 7.717 0.176 18182 443 1 1 . 1 1 79 79 PHE N N 737 117.916 117.916 118.498 -0.582 18182 444 1 1 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.613 0.381 18182 445 1 1 . 1 1 79 79 PHE C C 737 175.595 175.595 176.026 -0.431 18182 446 1 1 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.208 -0.267 18182 447 1 1 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.906 0.507 18182 448 1 1 . 1 1 79 79 PHE H H 737 9.121 9.121 8.624 0.497 18182 449 1 1 . 1 1 80 80 ASP N N 738 119.341 119.341 121.422 -2.081 18182 450 1 1 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.069 -0.320 18182 451 1 1 . 1 1 80 80 ASP C C 738 176.035 176.035 175.647 0.388 18182 452 1 1 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.855 -0.143 18182 453 1 1 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.105 -0.396 18182 454 1 1 . 1 1 80 80 ASP H H 738 9.377 9.377 9.033 0.344 18182 455 1 1 . 1 1 81 81 SER N N 739 108.518 108.518 112.305 -3.787 18182 456 1 1 . 1 1 81 81 SER HA H 739 4.694 4.694 4.668 0.026 18182 457 1 1 . 1 1 81 81 SER C C 739 173.791 173.791 174.147 -0.356 18182 458 1 1 . 1 1 81 81 SER CA C 739 57.049 57.049 57.930 -0.881 18182 459 1 1 . 1 1 81 81 SER CB C 739 66.839 66.839 65.065 1.774 18182 460 1 1 . 1 1 81 81 SER H H 739 7.447 7.447 7.585 -0.138 18182 461 1 1 . 1 1 82 82 LEU N N 740 122.626 122.626 124.767 -2.141 18182 462 1 1 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.110 -0.299 18182 463 1 1 . 1 1 82 82 LEU C C 740 177.172 177.172 177.415 -0.243 18182 464 1 1 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.069 -0.600 18182 465 1 1 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.131 -1.312 18182 466 1 1 . 1 1 82 82 LEU H H 740 8.969 8.969 8.743 0.226 18182 467 1 1 . 1 1 83 83 LEU N N 741 116.575 116.575 119.975 -3.400 18182 468 1 1 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.878 -0.041 18182 469 1 1 . 1 1 83 83 LEU C C 741 177.492 177.492 178.031 -0.539 18182 470 1 1 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.521 -0.257 18182 471 1 1 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.424 0.505 18182 472 1 1 . 1 1 83 83 LEU H H 741 7.770 7.770 8.067 -0.297 18182 473 1 1 . 1 1 84 84 GLU N N 742 116.865 116.865 118.461 -1.596 18182 474 1 1 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.914 0.004 18182 475 1 1 . 1 1 84 84 GLU C C 742 178.252 178.252 178.871 -0.619 18182 476 1 1 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.499 -0.108 18182 477 1 1 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.168 1.291 18182 478 1 1 . 1 1 84 84 GLU H H 742 7.585 7.585 8.268 -0.683 18182 479 1 1 . 1 1 85 85 LEU N N 743 122.164 122.164 120.523 1.641 18182 480 1 1 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.253 -0.225 18182 481 1 1 . 1 1 85 85 LEU C C 743 177.335 177.335 178.298 -0.963 18182 482 1 1 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.154 1.617 18182 483 1 1 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.740 0.087 18182 484 1 1 . 1 1 85 85 LEU H H 743 7.109 7.109 7.070 0.039 18182 485 1 1 . 1 1 86 86 VAL N N 744 119.760 119.760 118.645 1.115 18182 486 1 1 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.275 -0.422 18182 487 1 1 . 1 1 86 86 VAL C C 744 177.675 177.675 177.552 0.123 18182 488 1 1 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.891 0.222 18182 489 1 1 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.368 -0.257 18182 490 1 1 . 1 1 86 86 VAL H H 744 8.113 8.113 8.247 -0.134 18182 491 1 1 . 1 1 87 87 GLU N N 745 116.227 116.227 118.993 -2.766 18182 492 1 1 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.735 0.027 18182 493 1 1 . 1 1 87 87 GLU C C 745 179.530 179.530 178.586 0.944 18182 494 1 1 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.199 0.239 18182 495 1 1 . 1 1 87 87 GLU CB C 745 29.152 29.152 28.705 0.447 18182 496 1 1 . 1 1 87 87 GLU H H 745 8.182 8.182 8.475 -0.293 18182 497 1 1 . 1 1 88 88 TYR N N 746 120.102 120.102 120.462 -0.360 18182 498 1 1 . 1 1 88 88 TYR HA H 746 4.147 4.147 3.895 0.252 18182 499 1 1 . 1 1 88 88 TYR C C 746 179.970 179.970 177.992 1.978 18182 500 1 1 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.972 0.758 18182 501 1 1 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.422 0.466 18182 502 1 1 . 1 1 88 88 TYR H H 746 7.795 7.795 7.532 0.263 18182 503 1 1 . 1 1 89 89 TYR N N 747 118.508 118.508 117.302 1.206 18182 504 1 1 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.733 0.368 18182 505 1 1 . 1 1 89 89 TYR C C 747 175.885 175.885 178.652 -2.767 18182 506 1 1 . 1 1 89 89 TYR CA C 747 61.177 61.177 60.478 0.699 18182 507 1 1 . 1 1 89 89 TYR CB C 747 37.043 37.043 38.135 -1.092 18182 508 1 1 . 1 1 89 89 TYR H H 747 7.798 7.798 7.681 0.117 18182 509 1 1 . 1 1 90 90 GLN N N 748 118.741 118.741 119.352 -0.611 18182 510 1 1 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.712 0.708 18182 511 1 1 . 1 1 90 90 GLN C C 748 177.767 177.767 176.701 1.066 18182 512 1 1 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.796 -0.925 18182 513 1 1 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.670 0.003 18182 514 1 1 . 1 1 90 90 GLN H H 748 7.925 7.925 8.194 -0.269 18182 515 1 1 . 1 1 91 91 CYS N N 749 111.312 111.312 113.065 -1.753 18182 516 1 1 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.423 0.218 18182 517 1 1 . 1 1 91 91 CYS C C 749 173.010 173.010 174.692 -1.682 18182 518 1 1 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.630 -1.095 18182 519 1 1 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.567 -0.388 18182 520 1 1 . 1 1 91 91 CYS H H 749 7.178 7.178 7.158 0.020 18182 521 1 1 . 1 1 92 92 HIS N N 750 120.386 120.386 119.046 1.340 18182 522 1 1 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.630 -0.262 18182 523 1 1 . 1 1 92 92 HIS C C 750 171.815 171.815 174.427 -2.612 18182 524 1 1 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.048 1.120 18182 525 1 1 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.784 -1.478 18182 526 1 1 . 1 1 92 92 HIS H H 750 7.540 7.540 7.904 -0.364 18182 527 1 1 . 1 1 93 93 SER N N 751 113.259 113.259 118.037 -4.778 18182 528 1 1 . 1 1 93 93 SER HA H 751 3.812 3.812 4.354 -0.542 18182 529 1 1 . 1 1 93 93 SER C C 751 176.644 176.644 175.981 0.663 18182 530 1 1 . 1 1 93 93 SER CA C 751 58.040 58.040 58.312 -0.272 18182 531 1 1 . 1 1 93 93 SER CB C 751 62.954 62.954 63.963 -1.009 18182 532 1 1 . 1 1 93 93 SER H H 751 8.397 8.397 8.873 -0.476 18182 533 1 1 . 1 1 94 94 LEU N N 752 127.166 127.166 126.613 0.553 18182 534 1 1 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.490 -0.350 18182 535 1 1 . 1 1 94 94 LEU C C 752 177.462 177.462 177.815 -0.353 18182 536 1 1 . 1 1 94 94 LEU CA C 752 58.300 58.300 56.448 1.852 18182 537 1 1 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.583 0.749 18182 538 1 1 . 1 1 94 94 LEU H H 752 8.580 8.580 8.494 0.086 18182 539 1 1 . 1 1 95 95 LYS N N 753 122.119 122.119 119.663 2.456 18182 540 1 1 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.385 0.055 18182 541 1 1 . 1 1 95 95 LYS C C 753 176.253 176.253 178.815 -2.562 18182 542 1 1 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.798 -1.569 18182 543 1 1 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.779 0.565 18182 544 1 1 . 1 1 95 95 LYS H H 753 8.322 8.322 7.629 0.693 18182 545 1 1 . 1 1 96 96 GLU N N 754 115.310 115.310 118.906 -3.596 18182 546 1 1 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.085 0.052 18182 547 1 1 . 1 1 96 96 GLU C C 754 176.704 176.704 178.042 -1.338 18182 548 1 1 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.688 -0.199 18182 549 1 1 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.263 0.414 18182 550 1 1 . 1 1 96 96 GLU H H 754 7.197 7.197 7.915 -0.718 18182 551 1 1 . 1 1 97 97 SER N N 755 113.390 113.390 113.445 -0.055 18182 552 1 1 . 1 1 97 97 SER HA H 755 4.583 4.583 4.345 0.238 18182 553 1 1 . 1 1 97 97 SER C C 755 171.185 171.185 174.607 -3.422 18182 554 1 1 . 1 1 97 97 SER CA C 755 59.569 59.569 59.458 0.112 18182 555 1 1 . 1 1 97 97 SER CB C 755 66.435 66.435 64.548 1.887 18182 556 1 1 . 1 1 97 97 SER H H 755 7.857 7.857 7.692 0.165 18182 557 1 1 . 1 1 98 98 PHE N N 756 121.328 121.328 121.399 -0.071 18182 558 1 1 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.809 -0.044 18182 559 1 1 . 1 1 98 98 PHE C C 756 175.774 175.774 175.526 0.248 18182 560 1 1 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.044 0.827 18182 561 1 1 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.602 1.109 18182 562 1 1 . 1 1 98 98 PHE H H 756 8.409 8.409 8.498 -0.089 18182 563 1 1 . 1 1 99 99 LYS N N 757 121.656 121.656 124.992 -3.336 18182 564 1 1 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.216 -0.103 18182 565 1 1 . 1 1 99 99 LYS C C 757 177.188 177.188 177.421 -0.233 18182 566 1 1 . 1 1 99 99 LYS CA C 757 59.736 59.736 58.922 0.813 18182 567 1 1 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.177 0.179 18182 568 1 1 . 1 1 99 99 LYS H H 757 8.602 8.602 8.755 -0.153 18182 569 1 1 . 1 1 100 100 GLN N N 758 115.783 115.783 117.679 -1.896 18182 570 1 1 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.192 0.191 18182 571 1 1 . 1 1 100 100 GLN C C 758 175.849 175.849 176.141 -0.292 18182 572 1 1 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.383 -1.551 18182 573 1 1 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.970 -0.653 18182 574 1 1 . 1 1 100 100 GLN H H 758 9.139 9.139 8.349 0.790 18182 575 1 1 . 1 1 101 101 LEU N N 759 124.876 124.876 119.694 5.182 18182 576 1 1 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.562 -0.870 18182 577 1 1 . 1 1 101 101 LEU C C 759 173.219 173.219 175.329 -2.110 18182 578 1 1 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.648 -2.200 18182 579 1 1 . 1 1 101 101 LEU CB C 759 41.988 41.988 44.080 -2.092 18182 580 1 1 . 1 1 101 101 LEU H H 759 7.924 7.924 7.691 0.233 18182 581 1 1 . 1 1 102 102 ASP N N 760 119.263 119.263 118.215 1.048 18182 582 1 1 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.778 -0.211 18182 583 1 1 . 1 1 102 102 ASP C C 760 173.570 173.570 174.854 -1.284 18182 584 1 1 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.699 -1.823 18182 585 1 1 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.318 -3.289 18182 586 1 1 . 1 1 102 102 ASP H H 760 6.564 6.564 8.350 -1.786 18182 587 1 1 . 1 1 103 103 THR N N 761 117.311 117.311 113.757 3.554 18182 588 1 1 . 1 1 103 103 THR HA H 761 4.701 4.701 4.276 0.425 18182 589 1 1 . 1 1 103 103 THR C C 761 172.169 172.169 172.574 -0.405 18182 590 1 1 . 1 1 103 103 THR CA C 761 60.491 60.491 60.021 0.470 18182 591 1 1 . 1 1 103 103 THR CB C 761 69.358 69.358 69.992 -0.634 18182 592 1 1 . 1 1 103 103 THR H H 761 7.699 7.699 7.525 0.174 18182 593 1 1 . 1 1 104 104 THR N N 762 114.211 114.211 114.020 0.191 18182 594 1 1 . 1 1 104 104 THR HA H 762 4.603 4.603 4.505 0.098 18182 595 1 1 . 1 1 104 104 THR C C 762 175.647 175.647 173.100 2.547 18182 596 1 1 . 1 1 104 104 THR CA C 762 60.899 60.899 60.138 0.761 18182 597 1 1 . 1 1 104 104 THR CB C 762 70.981 70.981 71.854 -0.873 18182 598 1 1 . 1 1 104 104 THR H H 762 7.300 7.300 8.013 -0.713 18182 599 1 1 . 1 1 105 105 LEU N N 763 117.640 117.640 120.838 -3.198 18182 600 1 1 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.894 -0.371 18182 601 1 1 . 1 1 105 105 LEU C C 763 174.500 174.500 176.541 -2.041 18182 602 1 1 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.794 -0.639 18182 603 1 1 . 1 1 105 105 LEU CB C 763 35.747 35.747 40.471 -4.723 18182 604 1 1 . 1 1 105 105 LEU H H 763 8.113 8.113 8.001 0.112 18182 605 1 1 . 1 1 106 106 LYS N N 764 127.345 127.345 124.884 2.461 18182 606 1 1 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.330 -0.319 18182 607 1 1 . 1 1 106 106 LYS C C 764 176.781 176.781 176.118 0.663 18182 608 1 1 . 1 1 106 106 LYS CA C 764 59.888 59.888 55.974 3.913 18182 609 1 1 . 1 1 106 106 LYS CB C 764 35.223 35.223 35.947 -0.724 18182 610 1 1 . 1 1 106 106 LYS H H 764 7.181 7.181 8.126 -0.945 18182 611 1 1 . 1 1 107 107 TYR N N 765 115.756 115.756 119.084 -3.328 18182 612 1 1 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.057 0.464 18182 613 1 1 . 1 1 107 107 TYR C C 765 172.106 172.106 173.315 -1.209 18182 614 1 1 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.220 -2.599 18182 615 1 1 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.029 1.488 18182 616 1 1 . 1 1 107 107 TYR H H 765 7.877 7.877 7.743 0.134 18182 617 1 1 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.420 -0.747 18182 618 1 1 . 1 1 108 108 PRO C C 766 180.696 180.696 177.062 3.634 18182 619 1 1 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.789 0.822 18182 620 1 1 . 1 1 109 109 TYR N N 767 122.570 122.570 114.938 7.632 18182 621 1 1 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.206 -0.389 18182 622 1 1 . 1 1 109 109 TYR C C 767 174.769 174.769 176.358 -1.589 18182 623 1 1 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.695 1.488 18182 624 1 1 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.439 -0.972 18182 625 1 1 . 1 1 109 109 TYR H H 767 8.341 8.341 8.160 0.181 18182 626 1 1 . 1 1 110 110 LYS N N 768 118.398 118.398 116.935 1.463 18182 627 1 1 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.269 -0.327 18182 628 1 1 . 1 1 110 110 LYS C C 768 176.453 176.453 176.852 -0.399 18182 629 1 1 . 1 1 110 110 LYS CA C 768 56.901 56.901 55.572 1.329 18182 630 1 1 . 1 1 110 110 LYS CB C 768 32.581 32.581 30.593 1.988 18182 631 1 1 . 1 1 110 110 LYS H H 768 6.790 6.790 6.951 -0.161 18182 632 1 1 . 1 1 111 111 SER N N 769 114.260 114.260 116.289 -2.029 18182 633 1 1 . 1 1 111 111 SER HA H 769 4.384 4.384 4.164 0.220 18182 634 1 1 . 1 1 111 111 SER C C 769 174.124 174.124 174.346 -0.222 18182 635 1 1 . 1 1 111 111 SER CA C 769 58.802 58.802 60.458 -1.655 18182 636 1 1 . 1 1 111 111 SER CB C 769 64.206 64.206 63.438 0.768 18182 637 1 1 . 1 1 111 111 SER H H 769 7.769 7.769 7.921 -0.152 18182 638 1 1 . 1 1 112 112 ARG N N 770 122.485 122.485 120.462 2.023 18182 639 1 1 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.592 -0.214 18182 640 1 1 . 1 1 112 112 ARG C C 770 175.139 175.139 175.093 0.046 18182 641 1 1 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.577 0.051 18182 642 1 1 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.890 0.045 18182 643 1 1 . 1 1 112 112 ARG H H 770 8.109 8.109 8.116 -0.007 18182 644 1 2 . 1 1 2 2 ARG N N 660 123.565 123.565 123.409 0.156 18182 645 1 2 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.955 -0.325 18182 646 1 2 . 1 1 2 2 ARG C C 660 173.529 173.529 173.826 -0.297 18182 647 1 2 . 1 1 2 2 ARG CA C 660 53.869 53.869 54.114 -0.245 18182 648 1 2 . 1 1 2 2 ARG CB C 660 30.428 30.428 31.256 -0.828 18182 649 1 2 . 1 1 2 2 ARG H H 660 8.295 8.295 8.437 -0.142 18182 650 1 2 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.550 0.122 18182 651 1 2 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.505 -0.093 18182 652 1 2 . 1 1 4 4 PRO C C 662 177.096 177.096 176.038 1.058 18182 653 1 2 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.146 0.150 18182 654 1 2 . 1 1 4 4 PRO CB C 662 32.022 32.022 31.790 0.232 18182 655 1 2 . 1 1 5 5 SER N N 663 116.025 116.025 119.081 -3.056 18182 656 1 2 . 1 1 5 5 SER HA H 663 4.374 4.374 4.611 -0.237 18182 657 1 2 . 1 1 5 5 SER C C 663 174.815 174.815 175.514 -0.699 18182 658 1 2 . 1 1 5 5 SER CA C 663 58.797 58.797 58.840 -0.042 18182 659 1 2 . 1 1 5 5 SER CB C 663 64.024 64.024 64.164 -0.140 18182 660 1 2 . 1 1 5 5 SER H H 663 8.406 8.406 8.820 -0.414 18182 661 1 2 . 1 1 6 6 ARG N N 664 122.062 122.062 120.822 1.240 18182 662 1 2 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.667 -0.288 18182 663 1 2 . 1 1 6 6 ARG C C 664 175.958 175.958 176.025 -0.067 18182 664 1 2 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.082 0.054 18182 665 1 2 . 1 1 6 6 ARG CB C 664 30.712 30.712 32.205 -1.493 18182 666 1 2 . 1 1 6 6 ARG H H 664 8.371 8.371 8.423 -0.052 18182 667 1 2 . 1 1 7 7 GLU N N 665 122.160 122.160 116.317 5.843 18182 668 1 2 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.040 0.273 18182 669 1 2 . 1 1 7 7 GLU C C 665 175.842 175.842 174.713 1.129 18182 670 1 2 . 1 1 7 7 GLU CA C 665 56.410 56.410 57.373 -0.963 18182 671 1 2 . 1 1 7 7 GLU CB C 665 29.972 29.972 28.986 0.986 18182 672 1 2 . 1 1 7 7 GLU H H 665 8.352 8.352 8.571 -0.219 18182 673 1 2 . 1 1 8 8 ILE N N 666 123.828 123.828 118.698 5.130 18182 674 1 2 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.129 -0.289 18182 675 1 2 . 1 1 8 8 ILE C C 666 174.373 174.373 174.768 -0.395 18182 676 1 2 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.303 0.624 18182 677 1 2 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.275 0.266 18182 678 1 2 . 1 1 8 8 ILE H H 666 7.938 7.938 7.530 0.408 18182 679 1 2 . 1 1 9 9 ASP N N 667 124.338 124.338 128.268 -3.930 18182 680 1 2 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.534 0.085 18182 681 1 2 . 1 1 9 9 ASP C C 667 177.006 177.006 176.558 0.448 18182 682 1 2 . 1 1 9 9 ASP CA C 667 52.052 52.052 52.662 -0.610 18182 683 1 2 . 1 1 9 9 ASP CB C 667 40.364 40.364 39.692 0.672 18182 684 1 2 . 1 1 9 9 ASP H H 667 8.111 8.111 8.568 -0.457 18182 685 1 2 . 1 1 10 10 TYR N N 668 125.199 125.199 122.155 3.044 18182 686 1 2 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.259 -0.071 18182 687 1 2 . 1 1 10 10 TYR C C 668 175.947 175.947 177.097 -1.150 18182 688 1 2 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.143 0.540 18182 689 1 2 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.593 -1.357 18182 690 1 2 . 1 1 10 10 TYR H H 668 8.495 8.495 7.669 0.826 18182 691 1 2 . 1 1 11 11 THR N N 669 108.617 108.617 109.484 -0.867 18182 692 1 2 . 1 1 11 11 THR HA H 669 4.148 4.148 3.699 0.449 18182 693 1 2 . 1 1 11 11 THR C C 669 175.184 175.184 175.076 0.108 18182 694 1 2 . 1 1 11 11 THR CA C 669 65.022 65.022 64.074 0.948 18182 695 1 2 . 1 1 11 11 THR CB C 669 69.280 69.280 68.621 0.659 18182 696 1 2 . 1 1 11 11 THR H H 669 8.011 8.011 7.547 0.464 18182 697 1 2 . 1 1 12 12 ALA N N 670 121.275 121.275 123.016 -1.741 18182 698 1 2 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.905 0.171 18182 699 1 2 . 1 1 12 12 ALA C C 670 177.815 177.815 177.190 0.625 18182 700 1 2 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.184 -0.628 18182 701 1 2 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.683 0.191 18182 702 1 2 . 1 1 12 12 ALA H H 670 7.411 7.411 7.097 0.314 18182 703 1 2 . 1 1 13 13 TYR N N 671 117.883 117.883 116.462 1.421 18182 704 1 2 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.367 -0.066 18182 705 1 2 . 1 1 13 13 TYR C C 671 176.698 176.698 175.214 1.484 18182 706 1 2 . 1 1 13 13 TYR CA C 671 56.986 56.986 54.945 2.041 18182 707 1 2 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.152 -0.337 18182 708 1 2 . 1 1 13 13 TYR H H 671 7.538 7.538 6.863 0.675 18182 709 1 2 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.281 0.075 18182 710 1 2 . 1 1 14 14 PRO C C 672 173.452 173.452 176.318 -2.866 18182 711 1 2 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.045 0.278 18182 712 1 2 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.128 -0.905 18182 713 1 2 . 1 1 15 15 TRP N N 673 110.044 110.044 113.524 -3.480 18182 714 1 2 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.820 -0.028 18182 715 1 2 . 1 1 15 15 TRP C C 673 175.577 175.577 174.777 0.800 18182 716 1 2 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.447 -1.290 18182 717 1 2 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.472 3.901 18182 718 1 2 . 1 1 15 15 TRP H H 673 6.229 6.229 7.102 -0.873 18182 719 1 2 . 1 1 16 16 PHE N N 674 123.205 123.205 123.738 -0.533 18182 720 1 2 . 1 1 16 16 PHE HA H 674 5.171 5.171 5.014 0.157 18182 721 1 2 . 1 1 16 16 PHE C C 674 174.832 174.832 174.130 0.702 18182 722 1 2 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.420 3.451 18182 723 1 2 . 1 1 16 16 PHE CB C 674 40.208 40.208 40.530 -0.322 18182 724 1 2 . 1 1 16 16 PHE H H 674 7.625 7.625 7.605 0.020 18182 725 1 2 . 1 1 17 17 ALA N N 675 130.669 130.669 130.450 0.219 18182 726 1 2 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.631 0.317 18182 727 1 2 . 1 1 17 17 ALA C C 675 177.266 177.266 176.837 0.429 18182 728 1 2 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.116 1.152 18182 729 1 2 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.055 1.373 18182 730 1 2 . 1 1 17 17 ALA H H 675 9.097 9.097 8.010 1.087 18182 731 1 2 . 1 1 18 18 GLY C C 676 174.230 174.230 173.985 0.245 18182 732 1 2 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.808 2.122 18182 733 1 2 . 1 1 19 19 ASN N N 677 124.910 124.910 120.775 4.135 18182 734 1 2 . 1 1 19 19 ASN HA H 677 4.894 4.894 5.110 -0.216 18182 735 1 2 . 1 1 19 19 ASN C C 677 174.597 174.597 174.438 0.159 18182 736 1 2 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.523 -0.581 18182 737 1 2 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.030 -1.071 18182 738 1 2 . 1 1 19 19 ASN H H 677 8.682 8.682 8.571 0.111 18182 739 1 2 . 1 1 20 20 MET N N 678 122.347 122.347 121.962 0.385 18182 740 1 2 . 1 1 20 20 MET HA H 678 4.115 4.115 4.733 -0.618 18182 741 1 2 . 1 1 20 20 MET C C 678 175.451 175.451 175.243 0.208 18182 742 1 2 . 1 1 20 20 MET CA C 678 56.675 56.675 54.503 2.172 18182 743 1 2 . 1 1 20 20 MET CB C 678 35.208 35.208 35.685 -0.477 18182 744 1 2 . 1 1 20 20 MET H H 678 7.006 7.006 7.734 -0.728 18182 745 1 2 . 1 1 21 21 GLU N N 679 124.989 124.989 123.119 1.870 18182 746 1 2 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.480 -0.189 18182 747 1 2 . 1 1 21 21 GLU C C 679 178.232 178.232 176.544 1.688 18182 748 1 2 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.925 0.202 18182 749 1 2 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.524 0.408 18182 750 1 2 . 1 1 21 21 GLU H H 679 8.761 8.761 8.832 -0.071 18182 751 1 2 . 1 1 22 22 ARG N N 680 125.521 125.521 122.129 3.392 18182 752 1 2 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.958 -0.622 18182 753 1 2 . 1 1 22 22 ARG C C 680 177.707 177.707 177.948 -0.241 18182 754 1 2 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.705 1.339 18182 755 1 2 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.496 0.561 18182 756 1 2 . 1 1 22 22 ARG H H 680 9.406 9.406 8.757 0.649 18182 757 1 2 . 1 1 23 23 GLN N N 681 117.320 117.320 118.208 -0.888 18182 758 1 2 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.055 0.010 18182 759 1 2 . 1 1 23 23 GLN C C 681 178.317 178.317 178.348 -0.031 18182 760 1 2 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.655 1.096 18182 761 1 2 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.550 0.234 18182 762 1 2 . 1 1 23 23 GLN H H 681 9.048 9.048 8.688 0.360 18182 763 1 2 . 1 1 24 24 GLN N N 682 117.909 117.909 120.159 -2.250 18182 764 1 2 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.144 -0.023 18182 765 1 2 . 1 1 24 24 GLN C C 682 178.190 178.190 178.398 -0.208 18182 766 1 2 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.849 -0.106 18182 767 1 2 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.644 -0.329 18182 768 1 2 . 1 1 24 24 GLN H H 682 7.182 7.182 7.557 -0.375 18182 769 1 2 . 1 1 25 25 THR N N 683 117.007 117.007 116.636 0.371 18182 770 1 2 . 1 1 25 25 THR HA H 683 3.681 3.681 3.957 -0.276 18182 771 1 2 . 1 1 25 25 THR C C 683 175.786 175.786 176.526 -0.740 18182 772 1 2 . 1 1 25 25 THR CA C 683 67.702 67.702 67.176 0.526 18182 773 1 2 . 1 1 25 25 THR CB C 683 68.000 68.000 68.057 -0.057 18182 774 1 2 . 1 1 25 25 THR H H 683 7.903 7.903 8.160 -0.257 18182 775 1 2 . 1 1 26 26 ASP N N 684 122.824 122.824 120.923 1.901 18182 776 1 2 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.406 -0.126 18182 777 1 2 . 1 1 26 26 ASP C C 684 178.269 178.269 178.206 0.063 18182 778 1 2 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.514 0.622 18182 779 1 2 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.911 -0.733 18182 780 1 2 . 1 1 26 26 ASP H H 684 8.430 8.430 8.008 0.422 18182 781 1 2 . 1 1 27 27 ASN N N 685 115.634 115.634 118.559 -2.925 18182 782 1 2 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.484 -0.125 18182 783 1 2 . 1 1 27 27 ASN C C 685 177.065 177.065 178.046 -0.981 18182 784 1 2 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.846 0.065 18182 785 1 2 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.802 -0.296 18182 786 1 2 . 1 1 27 27 ASN H H 685 7.647 7.647 7.610 0.037 18182 787 1 2 . 1 1 28 28 LEU N N 686 120.594 120.594 121.896 -1.302 18182 788 1 2 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.008 0.221 18182 789 1 2 . 1 1 28 28 LEU C C 686 179.502 179.502 178.469 1.033 18182 790 1 2 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.288 -0.308 18182 791 1 2 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.326 0.777 18182 792 1 2 . 1 1 28 28 LEU H H 686 8.093 8.093 8.426 -0.333 18182 793 1 2 . 1 1 29 29 LEU N N 687 115.149 115.149 115.937 -0.788 18182 794 1 2 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.259 -0.177 18182 795 1 2 . 1 1 29 29 LEU C C 687 178.910 178.910 178.380 0.530 18182 796 1 2 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.490 0.427 18182 797 1 2 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.804 1.094 18182 798 1 2 . 1 1 29 29 LEU H H 687 8.386 8.386 8.100 0.286 18182 799 1 2 . 1 1 30 30 LYS N N 688 118.086 118.086 117.656 0.430 18182 800 1 2 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.060 -0.322 18182 801 1 2 . 1 1 30 30 LYS C C 688 177.312 177.312 177.642 -0.330 18182 802 1 2 . 1 1 30 30 LYS CA C 688 60.509 60.509 58.537 1.972 18182 803 1 2 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.308 -0.218 18182 804 1 2 . 1 1 30 30 LYS H H 688 7.752 7.752 7.592 0.160 18182 805 1 2 . 1 1 31 31 SER N N 689 111.134 111.134 112.305 -1.171 18182 806 1 2 . 1 1 31 31 SER HA H 689 4.460 4.460 4.329 0.131 18182 807 1 2 . 1 1 31 31 SER C C 689 174.501 174.501 174.845 -0.344 18182 808 1 2 . 1 1 31 31 SER CA C 689 58.559 58.559 59.200 -0.641 18182 809 1 2 . 1 1 31 31 SER CB C 689 63.528 63.528 63.594 -0.066 18182 810 1 2 . 1 1 31 31 SER H H 689 7.629 7.629 7.655 -0.026 18182 811 1 2 . 1 1 32 32 HIS N N 690 120.218 120.218 121.223 -1.005 18182 812 1 2 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.491 0.165 18182 813 1 2 . 1 1 32 32 HIS C C 690 173.855 173.855 174.422 -0.567 18182 814 1 2 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.282 -0.063 18182 815 1 2 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.441 1.483 18182 816 1 2 . 1 1 32 32 HIS H H 690 7.701 7.701 7.123 0.578 18182 817 1 2 . 1 1 33 33 ALA N N 691 120.317 120.317 124.100 -3.783 18182 818 1 2 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.622 -0.291 18182 819 1 2 . 1 1 33 33 ALA C C 691 179.494 179.494 177.055 2.439 18182 820 1 2 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.339 0.511 18182 821 1 2 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.370 -0.325 18182 822 1 2 . 1 1 33 33 ALA H H 691 8.453 8.453 8.553 -0.100 18182 823 1 2 . 1 1 34 34 SER N N 692 117.274 117.274 114.639 2.635 18182 824 1 2 . 1 1 34 34 SER HA H 692 4.089 4.089 4.317 -0.228 18182 825 1 2 . 1 1 34 34 SER C C 692 175.336 175.336 175.795 -0.459 18182 826 1 2 . 1 1 34 34 SER CA C 692 60.531 60.531 59.589 0.942 18182 827 1 2 . 1 1 34 34 SER CB C 692 63.308 63.308 63.420 -0.112 18182 828 1 2 . 1 1 34 34 SER H H 692 8.997 8.997 8.608 0.389 18182 829 1 2 . 1 1 35 35 GLY N N 693 113.573 113.573 114.629 -1.056 18182 830 1 2 . 1 1 35 35 GLY C C 693 174.808 174.808 175.079 -0.271 18182 831 1 2 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.306 -0.447 18182 832 1 2 . 1 1 35 35 GLY H H 693 9.926 9.926 9.239 0.687 18182 833 1 2 . 1 1 36 36 THR N N 694 121.076 121.076 121.321 -0.245 18182 834 1 2 . 1 1 36 36 THR HA H 694 5.962 5.962 4.954 1.008 18182 835 1 2 . 1 1 36 36 THR C C 694 173.297 173.297 174.108 -0.811 18182 836 1 2 . 1 1 36 36 THR CA C 694 63.612 63.612 64.723 -1.111 18182 837 1 2 . 1 1 36 36 THR CB C 694 68.317 68.317 68.978 -0.661 18182 838 1 2 . 1 1 36 36 THR H H 694 8.291 8.291 7.525 0.766 18182 839 1 2 . 1 1 37 37 TYR N N 695 123.616 123.616 124.625 -1.009 18182 840 1 2 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.729 0.312 18182 841 1 2 . 1 1 37 37 TYR C C 695 171.831 171.831 173.357 -1.526 18182 842 1 2 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.930 0.375 18182 843 1 2 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.704 2.655 18182 844 1 2 . 1 1 37 37 TYR H H 695 8.805 8.805 9.118 -0.313 18182 845 1 2 . 1 1 38 38 LEU N N 696 115.449 115.449 115.019 0.430 18182 846 1 2 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.215 -0.056 18182 847 1 2 . 1 1 38 38 LEU C C 696 174.331 174.331 174.522 -0.191 18182 848 1 2 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.901 -1.044 18182 849 1 2 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.158 0.735 18182 850 1 2 . 1 1 38 38 LEU H H 696 9.105 9.105 8.624 0.481 18182 851 1 2 . 1 1 39 39 ILE N N 697 121.911 121.911 120.249 1.662 18182 852 1 2 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.907 0.512 18182 853 1 2 . 1 1 39 39 ILE C C 697 173.476 173.476 175.139 -1.663 18182 854 1 2 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.475 -0.550 18182 855 1 2 . 1 1 39 39 ILE CB C 697 38.929 38.929 39.708 -0.779 18182 856 1 2 . 1 1 39 39 ILE H H 697 9.313 9.313 8.283 1.030 18182 857 1 2 . 1 1 40 40 ARG N N 698 122.878 122.878 126.326 -3.448 18182 858 1 2 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.856 0.436 18182 859 1 2 . 1 1 40 40 ARG C C 698 174.308 174.308 174.709 -0.401 18182 860 1 2 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.408 -1.664 18182 861 1 2 . 1 1 40 40 ARG CB C 698 33.517 33.517 32.892 0.625 18182 862 1 2 . 1 1 40 40 ARG H H 698 9.185 9.185 8.429 0.756 18182 863 1 2 . 1 1 41 41 GLU N N 699 122.405 122.405 120.478 1.927 18182 864 1 2 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.791 0.106 18182 865 1 2 . 1 1 41 41 GLU C C 699 176.242 176.242 175.078 1.164 18182 866 1 2 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.135 0.391 18182 867 1 2 . 1 1 41 41 GLU CB C 699 32.133 32.133 33.078 -0.945 18182 868 1 2 . 1 1 41 41 GLU H H 699 8.634 8.634 8.177 0.457 18182 869 1 2 . 1 1 42 42 ARG N N 700 125.045 125.045 124.546 0.499 18182 870 1 2 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.779 -0.085 18182 871 1 2 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.794 -0.221 18182 872 1 2 . 1 1 42 42 ARG H H 700 8.639 8.639 8.550 0.089 18182 873 1 2 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.259 0.155 18182 874 1 2 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.365 0.045 18182 875 1 2 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.141 -0.643 18182 876 1 2 . 1 1 44 44 ALA N N 702 122.925 122.925 126.086 -3.161 18182 877 1 2 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.266 0.056 18182 878 1 2 . 1 1 44 44 ALA C C 702 176.610 176.610 177.150 -0.540 18182 879 1 2 . 1 1 44 44 ALA CA C 702 51.802 51.802 52.156 -0.354 18182 880 1 2 . 1 1 44 44 ALA CB C 702 20.391 20.391 19.998 0.393 18182 881 1 2 . 1 1 44 44 ALA H H 702 7.888 7.888 8.181 -0.293 18182 882 1 2 . 1 1 45 45 GLU N N 703 118.799 118.799 121.776 -2.977 18182 883 1 2 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.230 0.007 18182 884 1 2 . 1 1 45 45 GLU C C 703 176.717 176.717 176.848 -0.131 18182 885 1 2 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.236 -0.335 18182 886 1 2 . 1 1 45 45 GLU CB C 703 30.086 30.086 30.165 -0.079 18182 887 1 2 . 1 1 45 45 GLU H H 703 7.947 7.947 9.076 -1.129 18182 888 1 2 . 1 1 46 46 ALA N N 704 120.631 120.631 122.195 -1.564 18182 889 1 2 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.434 -0.019 18182 890 1 2 . 1 1 46 46 ALA C C 704 178.411 178.411 176.087 2.324 18182 891 1 2 . 1 1 46 46 ALA CA C 704 54.208 54.208 52.430 1.778 18182 892 1 2 . 1 1 46 46 ALA CB C 704 19.243 19.243 20.144 -0.901 18182 893 1 2 . 1 1 46 46 ALA H H 704 8.643 8.643 8.475 0.168 18182 894 1 2 . 1 1 47 47 GLU N N 705 119.341 119.341 116.768 2.573 18182 895 1 2 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.800 0.056 18182 896 1 2 . 1 1 47 47 GLU C C 705 176.013 176.013 175.780 0.233 18182 897 1 2 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.894 -1.036 18182 898 1 2 . 1 1 47 47 GLU CB C 705 26.834 26.834 32.569 -5.735 18182 899 1 2 . 1 1 47 47 GLU H H 705 7.635 7.635 7.667 -0.032 18182 900 1 2 . 1 1 48 48 ARG N N 706 120.355 120.355 123.014 -2.659 18182 901 1 2 . 1 1 48 48 ARG HA H 706 3.965 3.965 3.950 0.015 18182 902 1 2 . 1 1 48 48 ARG C C 706 175.117 175.117 175.201 -0.084 18182 903 1 2 . 1 1 48 48 ARG CA C 706 58.155 58.155 57.830 0.326 18182 904 1 2 . 1 1 48 48 ARG CB C 706 31.691 31.691 30.969 0.722 18182 905 1 2 . 1 1 48 48 ARG H H 706 7.971 7.971 8.284 -0.313 18182 906 1 2 . 1 1 49 49 PHE N N 707 112.251 112.251 111.940 0.311 18182 907 1 2 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.576 1.329 18182 908 1 2 . 1 1 49 49 PHE C C 707 173.875 173.875 173.350 0.525 18182 909 1 2 . 1 1 49 49 PHE CA C 707 54.809 54.809 57.445 -2.636 18182 910 1 2 . 1 1 49 49 PHE CB C 707 43.075 43.075 42.540 0.535 18182 911 1 2 . 1 1 49 49 PHE H H 707 7.857 7.857 7.382 0.475 18182 912 1 2 . 1 1 50 50 ALA N N 708 118.730 118.730 121.308 -2.578 18182 913 1 2 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.113 0.341 18182 914 1 2 . 1 1 50 50 ALA C C 708 176.479 176.479 174.908 1.571 18182 915 1 2 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.173 -0.331 18182 916 1 2 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.801 -0.083 18182 917 1 2 . 1 1 50 50 ALA H H 708 9.205 9.205 8.474 0.731 18182 918 1 2 . 1 1 51 51 ILE N N 709 120.037 120.037 122.654 -2.617 18182 919 1 2 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.819 -0.073 18182 920 1 2 . 1 1 51 51 ILE C C 709 175.120 175.120 175.501 -0.381 18182 921 1 2 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.601 0.122 18182 922 1 2 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.626 -0.326 18182 923 1 2 . 1 1 51 51 ILE H H 709 9.262 9.262 9.041 0.221 18182 924 1 2 . 1 1 52 52 SER N N 710 125.087 125.087 119.086 6.001 18182 925 1 2 . 1 1 52 52 SER HA H 710 5.468 5.468 5.225 0.243 18182 926 1 2 . 1 1 52 52 SER C C 710 172.060 172.060 172.499 -0.439 18182 927 1 2 . 1 1 52 52 SER CA C 710 57.761 57.761 57.337 0.424 18182 928 1 2 . 1 1 52 52 SER CB C 710 65.210 65.210 65.200 0.010 18182 929 1 2 . 1 1 52 52 SER H H 710 9.205 9.205 9.074 0.131 18182 930 1 2 . 1 1 53 53 ILE N N 711 121.753 121.753 125.229 -3.476 18182 931 1 2 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.095 0.100 18182 932 1 2 . 1 1 53 53 ILE C C 711 173.070 173.070 173.118 -0.048 18182 933 1 2 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.065 -1.310 18182 934 1 2 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.147 0.210 18182 935 1 2 . 1 1 53 53 ILE H H 711 8.989 8.989 8.730 0.259 18182 936 1 2 . 1 1 54 54 LYS N N 712 128.758 128.758 127.494 1.264 18182 937 1 2 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.325 -0.538 18182 938 1 2 . 1 1 54 54 LYS C C 712 174.899 174.899 174.911 -0.012 18182 939 1 2 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.489 -0.121 18182 940 1 2 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.488 -1.130 18182 941 1 2 . 1 1 54 54 LYS H H 712 8.894 8.894 8.599 0.295 18182 942 1 2 . 1 1 55 55 PHE N N 713 130.369 130.369 127.321 3.048 18182 943 1 2 . 1 1 55 55 PHE HA H 713 4.947 4.947 5.045 -0.098 18182 944 1 2 . 1 1 55 55 PHE C C 713 174.238 174.238 174.050 0.188 18182 945 1 2 . 1 1 55 55 PHE CA C 713 58.165 58.165 56.853 1.312 18182 946 1 2 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.418 -0.614 18182 947 1 2 . 1 1 55 55 PHE H H 713 9.464 9.464 9.021 0.443 18182 948 1 2 . 1 1 56 56 ASN N N 714 125.719 125.719 126.448 -0.729 18182 949 1 2 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.176 -0.235 18182 950 1 2 . 1 1 56 56 ASN C C 714 174.003 174.003 173.924 0.079 18182 951 1 2 . 1 1 56 56 ASN CA C 714 55.230 55.230 54.151 1.079 18182 952 1 2 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.463 -1.323 18182 953 1 2 . 1 1 56 56 ASN H H 714 8.411 8.411 8.618 -0.207 18182 954 1 2 . 1 1 57 57 ASP N N 715 117.904 117.904 114.413 3.491 18182 955 1 2 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.295 0.326 18182 956 1 2 . 1 1 57 57 ASP C C 715 174.858 174.858 174.707 0.151 18182 957 1 2 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.560 -0.378 18182 958 1 2 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.135 0.751 18182 959 1 2 . 1 1 57 57 ASP H H 715 8.542 8.542 8.672 -0.130 18182 960 1 2 . 1 1 58 58 GLU N N 716 118.707 118.707 117.444 1.263 18182 961 1 2 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.576 0.134 18182 962 1 2 . 1 1 58 58 GLU C C 716 173.755 173.755 175.204 -1.449 18182 963 1 2 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.245 -0.198 18182 964 1 2 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.245 1.041 18182 965 1 2 . 1 1 58 58 GLU H H 716 7.889 7.889 7.387 0.502 18182 966 1 2 . 1 1 59 59 VAL N N 717 120.720 120.720 125.326 -4.606 18182 967 1 2 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.255 0.175 18182 968 1 2 . 1 1 59 59 VAL C C 717 175.071 175.071 176.034 -0.963 18182 969 1 2 . 1 1 59 59 VAL CA C 717 62.139 62.139 60.915 1.224 18182 970 1 2 . 1 1 59 59 VAL CB C 717 32.071 32.071 30.638 1.433 18182 971 1 2 . 1 1 59 59 VAL H H 717 8.536 8.536 8.659 -0.123 18182 972 1 2 . 1 1 60 60 LYS N N 718 126.403 126.403 128.249 -1.846 18182 973 1 2 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.588 -0.033 18182 974 1 2 . 1 1 60 60 LYS C C 718 174.578 174.578 174.879 -0.301 18182 975 1 2 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.485 -1.368 18182 976 1 2 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.365 0.541 18182 977 1 2 . 1 1 60 60 LYS H H 718 8.879 8.879 8.804 0.075 18182 978 1 2 . 1 1 61 61 HIS N N 719 118.939 118.939 119.514 -0.575 18182 979 1 2 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.242 0.268 18182 980 1 2 . 1 1 61 61 HIS C C 719 174.482 174.482 174.836 -0.354 18182 981 1 2 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.271 0.147 18182 982 1 2 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.532 2.717 18182 983 1 2 . 1 1 61 61 HIS H H 719 8.846 8.846 8.475 0.371 18182 984 1 2 . 1 1 62 62 ILE N N 720 124.690 124.690 124.475 0.215 18182 985 1 2 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.426 0.082 18182 986 1 2 . 1 1 62 62 ILE C C 720 176.221 176.221 174.830 1.391 18182 987 1 2 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.434 -0.151 18182 988 1 2 . 1 1 62 62 ILE CB C 720 43.022 43.022 40.175 2.847 18182 989 1 2 . 1 1 62 62 ILE H H 720 9.704 9.704 9.281 0.423 18182 990 1 2 . 1 1 63 63 LYS N N 721 126.432 126.432 127.764 -1.332 18182 991 1 2 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.318 -0.183 18182 992 1 2 . 1 1 63 63 LYS C C 721 174.783 174.783 175.846 -1.063 18182 993 1 2 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.692 1.786 18182 994 1 2 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.059 0.794 18182 995 1 2 . 1 1 63 63 LYS H H 721 9.100 9.100 8.787 0.313 18182 996 1 2 . 1 1 64 64 VAL N N 722 123.306 123.306 123.586 -0.280 18182 997 1 2 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.266 -0.008 18182 998 1 2 . 1 1 64 64 VAL C C 722 174.284 174.284 174.553 -0.269 18182 999 1 2 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.574 -0.281 18182 1000 1 2 . 1 1 64 64 VAL CB C 722 32.546 32.546 30.998 1.548 18182 1001 1 2 . 1 1 64 64 VAL H H 722 8.441 8.441 8.537 -0.096 18182 1002 1 2 . 1 1 65 65 VAL N N 723 126.508 126.508 127.073 -0.565 18182 1003 1 2 . 1 1 65 65 VAL HA H 723 4.282 4.282 3.957 0.325 18182 1004 1 2 . 1 1 65 65 VAL C C 723 174.127 174.127 174.788 -0.661 18182 1005 1 2 . 1 1 65 65 VAL CA C 723 61.600 61.600 62.566 -0.966 18182 1006 1 2 . 1 1 65 65 VAL CB C 723 33.717 33.717 32.647 1.071 18182 1007 1 2 . 1 1 65 65 VAL H H 723 8.462 8.462 8.097 0.365 18182 1008 1 2 . 1 1 66 66 GLU N N 724 126.016 126.016 128.215 -2.199 18182 1009 1 2 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.991 0.235 18182 1010 1 2 . 1 1 66 66 GLU C C 724 175.409 175.409 174.826 0.583 18182 1011 1 2 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.789 -0.038 18182 1012 1 2 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.908 0.549 18182 1013 1 2 . 1 1 66 66 GLU H H 724 8.619 8.619 8.546 0.073 18182 1014 1 2 . 1 1 67 67 LYS N N 725 125.813 125.813 124.261 1.552 18182 1015 1 2 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.507 -0.010 18182 1016 1 2 . 1 1 67 67 LYS C C 725 175.635 175.635 175.248 0.387 18182 1017 1 2 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.708 0.715 18182 1018 1 2 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.752 -0.454 18182 1019 1 2 . 1 1 67 67 LYS H H 725 8.740 8.740 8.399 0.341 18182 1020 1 2 . 1 1 68 68 ASP N N 726 126.958 126.958 121.185 5.773 18182 1021 1 2 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.288 -0.057 18182 1022 1 2 . 1 1 68 68 ASP C C 726 174.341 174.341 175.144 -0.803 18182 1023 1 2 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.769 0.484 18182 1024 1 2 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.003 0.496 18182 1025 1 2 . 1 1 68 68 ASP H H 726 9.499 9.499 8.929 0.570 18182 1026 1 2 . 1 1 69 69 ASN N N 727 110.214 110.214 110.182 0.032 18182 1027 1 2 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.033 0.232 18182 1028 1 2 . 1 1 69 69 ASN C C 727 173.779 173.779 173.340 0.439 18182 1029 1 2 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.730 -0.041 18182 1030 1 2 . 1 1 69 69 ASN CB C 727 37.488 37.488 36.401 1.087 18182 1031 1 2 . 1 1 69 69 ASN H H 727 8.348 8.348 8.573 -0.225 18182 1032 1 2 . 1 1 70 70 TRP N N 728 119.007 119.007 115.148 3.859 18182 1033 1 2 . 1 1 70 70 TRP HA H 728 5.390 5.390 4.974 0.416 18182 1034 1 2 . 1 1 70 70 TRP C C 728 174.779 174.779 174.686 0.093 18182 1035 1 2 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.631 1.195 18182 1036 1 2 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.713 0.842 18182 1037 1 2 . 1 1 70 70 TRP H H 728 8.063 8.063 7.489 0.574 18182 1038 1 2 . 1 1 71 71 ILE N N 729 122.016 122.016 120.324 1.692 18182 1039 1 2 . 1 1 71 71 ILE HA H 729 5.600 5.600 5.028 0.572 18182 1040 1 2 . 1 1 71 71 ILE C C 729 175.184 175.184 173.965 1.219 18182 1041 1 2 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.556 -0.702 18182 1042 1 2 . 1 1 71 71 ILE CB C 729 41.596 41.596 41.400 0.196 18182 1043 1 2 . 1 1 71 71 ILE H H 729 9.378 9.378 9.310 0.068 18182 1044 1 2 . 1 1 72 72 HIS N N 730 121.306 121.306 123.677 -2.371 18182 1045 1 2 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.310 -0.092 18182 1046 1 2 . 1 1 72 72 HIS C C 730 173.714 173.714 173.874 -0.160 18182 1047 1 2 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.906 0.737 18182 1048 1 2 . 1 1 72 72 HIS CB C 730 32.505 32.505 32.176 0.329 18182 1049 1 2 . 1 1 72 72 HIS H H 730 9.048 9.048 8.943 0.105 18182 1050 1 2 . 1 1 73 73 ILE N N 731 112.643 112.643 113.904 -1.261 18182 1051 1 2 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.666 0.271 18182 1052 1 2 . 1 1 73 73 ILE C C 731 175.442 175.442 175.414 0.028 18182 1053 1 2 . 1 1 73 73 ILE CA C 731 62.678 62.678 61.762 0.916 18182 1054 1 2 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.757 -0.351 18182 1055 1 2 . 1 1 73 73 ILE H H 731 9.499 9.499 8.662 0.837 18182 1056 1 2 . 1 1 74 74 THR N N 732 115.752 115.752 111.487 4.265 18182 1057 1 2 . 1 1 74 74 THR HA H 732 4.812 4.812 4.578 0.234 18182 1058 1 2 . 1 1 74 74 THR C C 732 173.575 173.575 174.424 -0.849 18182 1059 1 2 . 1 1 74 74 THR CA C 732 58.650 58.650 60.020 -1.370 18182 1060 1 2 . 1 1 74 74 THR CB C 732 70.177 70.177 71.794 -1.617 18182 1061 1 2 . 1 1 74 74 THR H H 732 8.364 8.364 7.668 0.696 18182 1062 1 2 . 1 1 75 75 GLU N N 733 124.910 124.910 119.672 5.238 18182 1063 1 2 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.226 -1.253 18182 1064 1 2 . 1 1 75 75 GLU C C 733 175.609 175.609 176.137 -0.528 18182 1065 1 2 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.158 2.504 18182 1066 1 2 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.930 0.033 18182 1067 1 2 . 1 1 75 75 GLU H H 733 8.754 8.754 8.804 -0.050 18182 1068 1 2 . 1 1 76 76 ALA N N 734 117.847 117.847 120.440 -2.593 18182 1069 1 2 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.372 -0.432 18182 1070 1 2 . 1 1 76 76 ALA C C 734 177.033 177.033 177.349 -0.316 18182 1071 1 2 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.798 0.376 18182 1072 1 2 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.559 -1.066 18182 1073 1 2 . 1 1 76 76 ALA H H 734 7.538 7.538 7.734 -0.196 18182 1074 1 2 . 1 1 77 77 LYS N N 735 119.518 119.518 117.762 1.756 18182 1075 1 2 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.466 -0.355 18182 1076 1 2 . 1 1 77 77 LYS C C 735 171.953 171.953 174.133 -2.180 18182 1077 1 2 . 1 1 77 77 LYS CA C 735 54.699 54.699 54.802 -0.103 18182 1078 1 2 . 1 1 77 77 LYS CB C 735 33.285 33.285 35.356 -2.071 18182 1079 1 2 . 1 1 77 77 LYS H H 735 7.326 7.326 7.995 -0.669 18182 1080 1 2 . 1 1 78 78 LYS N N 736 123.200 123.200 118.850 4.350 18182 1081 1 2 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.366 0.365 18182 1082 1 2 . 1 1 78 78 LYS C C 736 175.123 175.123 174.580 0.543 18182 1083 1 2 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.134 0.976 18182 1084 1 2 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.632 0.338 18182 1085 1 2 . 1 1 78 78 LYS H H 736 7.893 7.893 7.654 0.239 18182 1086 1 2 . 1 1 79 79 PHE N N 737 117.916 117.916 117.662 0.254 18182 1087 1 2 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.770 0.224 18182 1088 1 2 . 1 1 79 79 PHE C C 737 175.595 175.595 175.594 0.001 18182 1089 1 2 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.621 0.320 18182 1090 1 2 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.814 0.599 18182 1091 1 2 . 1 1 79 79 PHE H H 737 9.121 9.121 8.523 0.598 18182 1092 1 2 . 1 1 80 80 ASP N N 738 119.341 119.341 120.443 -1.102 18182 1093 1 2 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.229 -0.480 18182 1094 1 2 . 1 1 80 80 ASP C C 738 176.035 176.035 176.631 -0.596 18182 1095 1 2 . 1 1 80 80 ASP CA C 738 55.712 55.712 54.920 0.792 18182 1096 1 2 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.215 -0.506 18182 1097 1 2 . 1 1 80 80 ASP H H 738 9.377 9.377 9.089 0.288 18182 1098 1 2 . 1 1 81 81 SER N N 739 108.518 108.518 112.307 -3.789 18182 1099 1 2 . 1 1 81 81 SER HA H 739 4.694 4.694 4.895 -0.201 18182 1100 1 2 . 1 1 81 81 SER C C 739 173.791 173.791 173.875 -0.084 18182 1101 1 2 . 1 1 81 81 SER CA C 739 57.049 57.049 57.980 -0.931 18182 1102 1 2 . 1 1 81 81 SER CB C 739 66.839 66.839 66.508 0.331 18182 1103 1 2 . 1 1 81 81 SER H H 739 7.447 7.447 7.715 -0.268 18182 1104 1 2 . 1 1 82 82 LEU N N 740 122.626 122.626 125.212 -2.586 18182 1105 1 2 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.086 -0.275 18182 1106 1 2 . 1 1 82 82 LEU C C 740 177.172 177.172 177.653 -0.481 18182 1107 1 2 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.538 -1.069 18182 1108 1 2 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.092 -1.273 18182 1109 1 2 . 1 1 82 82 LEU H H 740 8.969 8.969 9.096 -0.127 18182 1110 1 2 . 1 1 83 83 LEU N N 741 116.575 116.575 119.451 -2.876 18182 1111 1 2 . 1 1 83 83 LEU HA H 741 3.837 3.837 4.004 -0.167 18182 1112 1 2 . 1 1 83 83 LEU C C 741 177.492 177.492 178.489 -0.997 18182 1113 1 2 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.783 -0.519 18182 1114 1 2 . 1 1 83 83 LEU CB C 741 41.929 41.929 40.947 0.982 18182 1115 1 2 . 1 1 83 83 LEU H H 741 7.770 7.770 7.764 0.006 18182 1116 1 2 . 1 1 84 84 GLU N N 742 116.865 116.865 119.092 -2.227 18182 1117 1 2 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.996 -0.078 18182 1118 1 2 . 1 1 84 84 GLU C C 742 178.252 178.252 178.955 -0.703 18182 1119 1 2 . 1 1 84 84 GLU CA C 742 59.391 59.391 60.129 -0.738 18182 1120 1 2 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.352 1.107 18182 1121 1 2 . 1 1 84 84 GLU H H 742 7.585 7.585 7.882 -0.297 18182 1122 1 2 . 1 1 85 85 LEU N N 743 122.164 122.164 120.409 1.755 18182 1123 1 2 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.311 -0.283 18182 1124 1 2 . 1 1 85 85 LEU C C 743 177.335 177.335 178.334 -0.999 18182 1125 1 2 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.649 1.122 18182 1126 1 2 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.641 0.186 18182 1127 1 2 . 1 1 85 85 LEU H H 743 7.109 7.109 7.330 -0.221 18182 1128 1 2 . 1 1 86 86 VAL N N 744 119.760 119.760 118.972 0.788 18182 1129 1 2 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.307 -0.454 18182 1130 1 2 . 1 1 86 86 VAL C C 744 177.675 177.675 178.105 -0.430 18182 1131 1 2 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.756 0.357 18182 1132 1 2 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.837 0.274 18182 1133 1 2 . 1 1 86 86 VAL H H 744 8.113 8.113 8.228 -0.115 18182 1134 1 2 . 1 1 87 87 GLU N N 745 116.227 116.227 119.632 -3.405 18182 1135 1 2 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.750 0.012 18182 1136 1 2 . 1 1 87 87 GLU C C 745 179.530 179.530 179.163 0.367 18182 1137 1 2 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.458 -0.020 18182 1138 1 2 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.223 -0.071 18182 1139 1 2 . 1 1 87 87 GLU H H 745 8.182 8.182 8.303 -0.121 18182 1140 1 2 . 1 1 88 88 TYR N N 746 120.102 120.102 119.724 0.378 18182 1141 1 2 . 1 1 88 88 TYR HA H 746 4.147 4.147 3.792 0.355 18182 1142 1 2 . 1 1 88 88 TYR C C 746 179.970 179.970 178.222 1.748 18182 1143 1 2 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.149 0.581 18182 1144 1 2 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.294 0.594 18182 1145 1 2 . 1 1 88 88 TYR H H 746 7.795 7.795 8.328 -0.533 18182 1146 1 2 . 1 1 89 89 TYR N N 747 118.508 118.508 117.666 0.842 18182 1147 1 2 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.479 0.622 18182 1148 1 2 . 1 1 89 89 TYR C C 747 175.885 175.885 178.318 -2.433 18182 1149 1 2 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.048 0.129 18182 1150 1 2 . 1 1 89 89 TYR CB C 747 37.043 37.043 38.100 -1.057 18182 1151 1 2 . 1 1 89 89 TYR H H 747 7.798 7.798 8.061 -0.263 18182 1152 1 2 . 1 1 90 90 GLN N N 748 118.741 118.741 118.591 0.150 18182 1153 1 2 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.820 0.600 18182 1154 1 2 . 1 1 90 90 GLN C C 748 177.767 177.767 176.743 1.024 18182 1155 1 2 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.574 -0.703 18182 1156 1 2 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.498 0.175 18182 1157 1 2 . 1 1 90 90 GLN H H 748 7.925 7.925 8.006 -0.081 18182 1158 1 2 . 1 1 91 91 CYS N N 749 111.312 111.312 114.759 -3.447 18182 1159 1 2 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.403 0.238 18182 1160 1 2 . 1 1 91 91 CYS C C 749 173.010 173.010 175.021 -2.011 18182 1161 1 2 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.735 -1.200 18182 1162 1 2 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.487 -0.308 18182 1163 1 2 . 1 1 91 91 CYS H H 749 7.178 7.178 7.177 0.001 18182 1164 1 2 . 1 1 92 92 HIS N N 750 120.386 120.386 119.239 1.147 18182 1165 1 2 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.589 -0.221 18182 1166 1 2 . 1 1 92 92 HIS C C 750 171.815 171.815 174.211 -2.396 18182 1167 1 2 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.465 0.703 18182 1168 1 2 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.945 -1.639 18182 1169 1 2 . 1 1 92 92 HIS H H 750 7.540 7.540 7.764 -0.224 18182 1170 1 2 . 1 1 93 93 SER N N 751 113.259 113.259 116.348 -3.089 18182 1171 1 2 . 1 1 93 93 SER HA H 751 3.812 3.812 4.233 -0.421 18182 1172 1 2 . 1 1 93 93 SER C C 751 176.644 176.644 175.579 1.065 18182 1173 1 2 . 1 1 93 93 SER CA C 751 58.040 58.040 58.600 -0.560 18182 1174 1 2 . 1 1 93 93 SER CB C 751 62.954 62.954 63.929 -0.975 18182 1175 1 2 . 1 1 93 93 SER H H 751 8.397 8.397 8.749 -0.352 18182 1176 1 2 . 1 1 94 94 LEU N N 752 127.166 127.166 125.470 1.696 18182 1177 1 2 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.580 -0.440 18182 1178 1 2 . 1 1 94 94 LEU C C 752 177.462 177.462 177.337 0.125 18182 1179 1 2 . 1 1 94 94 LEU CA C 752 58.300 58.300 54.875 3.425 18182 1180 1 2 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.257 1.075 18182 1181 1 2 . 1 1 94 94 LEU H H 752 8.580 8.580 8.489 0.091 18182 1182 1 2 . 1 1 95 95 LYS N N 753 122.119 122.119 119.249 2.870 18182 1183 1 2 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.592 -0.152 18182 1184 1 2 . 1 1 95 95 LYS C C 753 176.253 176.253 178.337 -2.084 18182 1185 1 2 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.376 -1.147 18182 1186 1 2 . 1 1 95 95 LYS CB C 753 32.344 32.344 32.165 0.179 18182 1187 1 2 . 1 1 95 95 LYS H H 753 8.322 8.322 7.458 0.864 18182 1188 1 2 . 1 1 96 96 GLU N N 754 115.310 115.310 119.570 -4.260 18182 1189 1 2 . 1 1 96 96 GLU HA H 754 4.137 4.137 3.988 0.149 18182 1190 1 2 . 1 1 96 96 GLU C C 754 176.704 176.704 178.109 -1.405 18182 1191 1 2 . 1 1 96 96 GLU CA C 754 58.489 58.489 59.122 -0.633 18182 1192 1 2 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.076 0.601 18182 1193 1 2 . 1 1 96 96 GLU H H 754 7.197 7.197 8.101 -0.904 18182 1194 1 2 . 1 1 97 97 SER N N 755 113.390 113.390 114.291 -0.901 18182 1195 1 2 . 1 1 97 97 SER HA H 755 4.583 4.583 4.290 0.293 18182 1196 1 2 . 1 1 97 97 SER C C 755 171.185 171.185 175.394 -4.209 18182 1197 1 2 . 1 1 97 97 SER CA C 755 59.569 59.569 59.786 -0.217 18182 1198 1 2 . 1 1 97 97 SER CB C 755 66.435 66.435 63.505 2.930 18182 1199 1 2 . 1 1 97 97 SER H H 755 7.857 7.857 8.359 -0.502 18182 1200 1 2 . 1 1 98 98 PHE N N 756 121.328 121.328 122.517 -1.189 18182 1201 1 2 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.847 -0.082 18182 1202 1 2 . 1 1 98 98 PHE C C 756 175.774 175.774 176.055 -0.281 18182 1203 1 2 . 1 1 98 98 PHE CA C 756 56.871 56.871 54.989 1.882 18182 1204 1 2 . 1 1 98 98 PHE CB C 756 39.711 39.711 37.371 2.340 18182 1205 1 2 . 1 1 98 98 PHE H H 756 8.409 8.409 7.770 0.639 18182 1206 1 2 . 1 1 99 99 LYS N N 757 121.656 121.656 124.744 -3.088 18182 1207 1 2 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.180 -0.067 18182 1208 1 2 . 1 1 99 99 LYS C C 757 177.188 177.188 177.847 -0.659 18182 1209 1 2 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.388 0.348 18182 1210 1 2 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.188 0.168 18182 1211 1 2 . 1 1 99 99 LYS H H 757 8.602 8.602 8.712 -0.110 18182 1212 1 2 . 1 1 100 100 GLN N N 758 115.783 115.783 116.745 -0.962 18182 1213 1 2 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.196 0.187 18182 1214 1 2 . 1 1 100 100 GLN C C 758 175.849 175.849 176.580 -0.731 18182 1215 1 2 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.617 -1.785 18182 1216 1 2 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.020 -0.703 18182 1217 1 2 . 1 1 100 100 GLN H H 758 9.139 9.139 8.432 0.707 18182 1218 1 2 . 1 1 101 101 LEU N N 759 124.876 124.876 118.833 6.043 18182 1219 1 2 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.498 -0.806 18182 1220 1 2 . 1 1 101 101 LEU C C 759 173.219 173.219 175.116 -1.897 18182 1221 1 2 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.086 -1.638 18182 1222 1 2 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.926 -1.938 18182 1223 1 2 . 1 1 101 101 LEU H H 759 7.924 7.924 7.634 0.290 18182 1224 1 2 . 1 1 102 102 ASP N N 760 119.263 119.263 118.227 1.036 18182 1225 1 2 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.793 -0.226 18182 1226 1 2 . 1 1 102 102 ASP C C 760 173.570 173.570 174.450 -0.880 18182 1227 1 2 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.608 -1.733 18182 1228 1 2 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.787 -2.758 18182 1229 1 2 . 1 1 102 102 ASP H H 760 6.564 6.564 7.703 -1.139 18182 1230 1 2 . 1 1 103 103 THR N N 761 117.311 117.311 113.250 4.061 18182 1231 1 2 . 1 1 103 103 THR HA H 761 4.701 4.701 4.537 0.164 18182 1232 1 2 . 1 1 103 103 THR C C 761 172.169 172.169 172.826 -0.657 18182 1233 1 2 . 1 1 103 103 THR CA C 761 60.491 60.491 60.372 0.119 18182 1234 1 2 . 1 1 103 103 THR CB C 761 69.358 69.358 70.939 -1.581 18182 1235 1 2 . 1 1 103 103 THR H H 761 7.699 7.699 7.417 0.282 18182 1236 1 2 . 1 1 104 104 THR N N 762 114.211 114.211 113.764 0.447 18182 1237 1 2 . 1 1 104 104 THR HA H 762 4.603 4.603 4.540 0.063 18182 1238 1 2 . 1 1 104 104 THR C C 762 175.647 175.647 173.920 1.727 18182 1239 1 2 . 1 1 104 104 THR CA C 762 60.899 60.899 60.123 0.776 18182 1240 1 2 . 1 1 104 104 THR CB C 762 70.981 70.981 71.131 -0.150 18182 1241 1 2 . 1 1 104 104 THR H H 762 7.300 7.300 8.057 -0.757 18182 1242 1 2 . 1 1 105 105 LEU N N 763 117.640 117.640 122.256 -4.616 18182 1243 1 2 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.775 -0.252 18182 1244 1 2 . 1 1 105 105 LEU C C 763 174.500 174.500 176.809 -2.309 18182 1245 1 2 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.155 -1.000 18182 1246 1 2 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.106 -3.359 18182 1247 1 2 . 1 1 105 105 LEU H H 763 8.113 8.113 8.541 -0.428 18182 1248 1 2 . 1 1 106 106 LYS N N 764 127.345 127.345 123.863 3.482 18182 1249 1 2 . 1 1 106 106 LYS HA H 764 4.011 4.011 3.980 0.031 18182 1250 1 2 . 1 1 106 106 LYS C C 764 176.781 176.781 176.748 0.033 18182 1251 1 2 . 1 1 106 106 LYS CA C 764 59.888 59.888 58.027 1.861 18182 1252 1 2 . 1 1 106 106 LYS CB C 764 35.223 35.223 33.291 1.932 18182 1253 1 2 . 1 1 106 106 LYS H H 764 7.181 7.181 8.357 -1.176 18182 1254 1 2 . 1 1 107 107 TYR N N 765 115.756 115.756 116.196 -0.440 18182 1255 1 2 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.011 0.510 18182 1256 1 2 . 1 1 107 107 TYR C C 765 172.106 172.106 173.124 -1.018 18182 1257 1 2 . 1 1 107 107 TYR CA C 765 52.621 52.621 54.863 -2.242 18182 1258 1 2 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.384 1.134 18182 1259 1 2 . 1 1 107 107 TYR H H 765 7.877 7.877 7.689 0.188 18182 1260 1 2 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.498 -0.825 18182 1261 1 2 . 1 1 108 108 PRO C C 766 180.696 180.696 176.973 3.723 18182 1262 1 2 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.776 0.835 18182 1263 1 2 . 1 1 109 109 TYR N N 767 122.570 122.570 115.574 6.996 18182 1264 1 2 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.164 -0.347 18182 1265 1 2 . 1 1 109 109 TYR C C 767 174.769 174.769 176.952 -2.183 18182 1266 1 2 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.687 1.496 18182 1267 1 2 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.734 -0.267 18182 1268 1 2 . 1 1 109 109 TYR H H 767 8.341 8.341 8.094 0.247 18182 1269 1 2 . 1 1 110 110 LYS N N 768 118.398 118.398 118.912 -0.514 18182 1270 1 2 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.832 0.110 18182 1271 1 2 . 1 1 110 110 LYS C C 768 176.453 176.453 176.387 0.066 18182 1272 1 2 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.830 -0.929 18182 1273 1 2 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.054 0.527 18182 1274 1 2 . 1 1 110 110 LYS H H 768 6.790 6.790 7.058 -0.268 18182 1275 1 2 . 1 1 111 111 SER N N 769 114.260 114.260 111.427 2.833 18182 1276 1 2 . 1 1 111 111 SER HA H 769 4.384 4.384 4.140 0.244 18182 1277 1 2 . 1 1 111 111 SER C C 769 174.124 174.124 173.498 0.626 18182 1278 1 2 . 1 1 111 111 SER CA C 769 58.802 58.802 58.881 -0.079 18182 1279 1 2 . 1 1 111 111 SER CB C 769 64.206 64.206 62.701 1.505 18182 1280 1 2 . 1 1 111 111 SER H H 769 7.769 7.769 8.011 -0.242 18182 1281 1 2 . 1 1 112 112 ARG N N 770 122.485 122.485 119.728 2.757 18182 1282 1 2 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.493 -0.115 18182 1283 1 2 . 1 1 112 112 ARG C C 770 175.139 175.139 174.406 0.733 18182 1284 1 2 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.653 -0.025 18182 1285 1 2 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.164 0.771 18182 1286 1 2 . 1 1 112 112 ARG H H 770 8.109 8.109 8.194 -0.085 18182 1287 1 3 . 1 1 2 2 ARG N N 660 123.565 123.565 122.098 1.467 18182 1288 1 3 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.413 0.217 18182 1289 1 3 . 1 1 2 2 ARG C C 660 173.529 173.529 175.407 -1.878 18182 1290 1 3 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.725 -2.856 18182 1291 1 3 . 1 1 2 2 ARG CB C 660 30.428 30.428 28.931 1.497 18182 1292 1 3 . 1 1 2 2 ARG H H 660 8.295 8.295 8.439 -0.144 18182 1293 1 3 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.624 0.048 18182 1294 1 3 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.537 -0.125 18182 1295 1 3 . 1 1 4 4 PRO C C 662 177.096 177.096 176.652 0.444 18182 1296 1 3 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.446 0.850 18182 1297 1 3 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.674 -0.652 18182 1298 1 3 . 1 1 5 5 SER N N 663 116.025 116.025 114.010 2.015 18182 1299 1 3 . 1 1 5 5 SER HA H 663 4.374 4.374 4.478 -0.104 18182 1300 1 3 . 1 1 5 5 SER C C 663 174.815 174.815 176.248 -1.433 18182 1301 1 3 . 1 1 5 5 SER CA C 663 58.797 58.797 59.651 -0.855 18182 1302 1 3 . 1 1 5 5 SER CB C 663 64.024 64.024 63.242 0.782 18182 1303 1 3 . 1 1 5 5 SER H H 663 8.406 8.406 8.369 0.037 18182 1304 1 3 . 1 1 6 6 ARG N N 664 122.062 122.062 119.669 2.393 18182 1305 1 3 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.066 0.313 18182 1306 1 3 . 1 1 6 6 ARG C C 664 175.958 175.958 175.352 0.606 18182 1307 1 3 . 1 1 6 6 ARG CA C 664 56.136 56.136 57.599 -1.463 18182 1308 1 3 . 1 1 6 6 ARG CB C 664 30.712 30.712 29.404 1.308 18182 1309 1 3 . 1 1 6 6 ARG H H 664 8.371 8.371 8.402 -0.031 18182 1310 1 3 . 1 1 7 7 GLU N N 665 122.160 122.160 118.262 3.898 18182 1311 1 3 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.092 0.221 18182 1312 1 3 . 1 1 7 7 GLU C C 665 175.842 175.842 175.257 0.585 18182 1313 1 3 . 1 1 7 7 GLU CA C 665 56.410 56.410 57.388 -0.978 18182 1314 1 3 . 1 1 7 7 GLU CB C 665 29.972 29.972 29.961 0.011 18182 1315 1 3 . 1 1 7 7 GLU H H 665 8.352 8.352 8.362 -0.010 18182 1316 1 3 . 1 1 8 8 ILE N N 666 123.828 123.828 122.147 1.681 18182 1317 1 3 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.292 -0.452 18182 1318 1 3 . 1 1 8 8 ILE C C 666 174.373 174.373 176.135 -1.762 18182 1319 1 3 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.958 -0.031 18182 1320 1 3 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.141 0.401 18182 1321 1 3 . 1 1 8 8 ILE H H 666 7.938 7.938 8.478 -0.540 18182 1322 1 3 . 1 1 9 9 ASP N N 667 124.338 124.338 128.235 -3.897 18182 1323 1 3 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.782 -0.163 18182 1324 1 3 . 1 1 9 9 ASP C C 667 177.006 177.006 176.520 0.486 18182 1325 1 3 . 1 1 9 9 ASP CA C 667 52.052 52.052 54.073 -2.021 18182 1326 1 3 . 1 1 9 9 ASP CB C 667 40.364 40.364 40.876 -0.512 18182 1327 1 3 . 1 1 9 9 ASP H H 667 8.111 8.111 8.855 -0.744 18182 1328 1 3 . 1 1 10 10 TYR N N 668 125.199 125.199 123.570 1.629 18182 1329 1 3 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.271 -0.083 18182 1330 1 3 . 1 1 10 10 TYR C C 668 175.947 175.947 177.055 -1.108 18182 1331 1 3 . 1 1 10 10 TYR CA C 668 60.683 60.683 59.972 0.711 18182 1332 1 3 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.670 -1.434 18182 1333 1 3 . 1 1 10 10 TYR H H 668 8.495 8.495 8.288 0.207 18182 1334 1 3 . 1 1 11 11 THR N N 669 108.617 108.617 112.535 -3.918 18182 1335 1 3 . 1 1 11 11 THR HA H 669 4.148 4.148 3.333 0.815 18182 1336 1 3 . 1 1 11 11 THR C C 669 175.184 175.184 175.352 -0.168 18182 1337 1 3 . 1 1 11 11 THR CA C 669 65.022 65.022 64.458 0.564 18182 1338 1 3 . 1 1 11 11 THR CB C 669 69.280 69.280 67.633 1.647 18182 1339 1 3 . 1 1 11 11 THR H H 669 8.011 8.011 7.790 0.221 18182 1340 1 3 . 1 1 12 12 ALA N N 670 121.275 121.275 123.446 -2.171 18182 1341 1 3 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.114 -0.038 18182 1342 1 3 . 1 1 12 12 ALA C C 670 177.815 177.815 177.810 0.005 18182 1343 1 3 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.841 -0.285 18182 1344 1 3 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.828 0.046 18182 1345 1 3 . 1 1 12 12 ALA H H 670 7.411 7.411 7.252 0.159 18182 1346 1 3 . 1 1 13 13 TYR N N 671 117.883 117.883 118.536 -0.653 18182 1347 1 3 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.237 0.064 18182 1348 1 3 . 1 1 13 13 TYR C C 671 176.698 176.698 174.870 1.828 18182 1349 1 3 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.902 0.084 18182 1350 1 3 . 1 1 13 13 TYR CB C 671 36.815 36.815 36.880 -0.065 18182 1351 1 3 . 1 1 13 13 TYR H H 671 7.538 7.538 7.590 -0.052 18182 1352 1 3 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.163 0.193 18182 1353 1 3 . 1 1 14 14 PRO C C 672 173.452 173.452 176.213 -2.761 18182 1354 1 3 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.536 -0.213 18182 1355 1 3 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.822 -0.599 18182 1356 1 3 . 1 1 15 15 TRP N N 673 110.044 110.044 111.568 -1.524 18182 1357 1 3 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.914 -0.122 18182 1358 1 3 . 1 1 15 15 TRP C C 673 175.577 175.577 174.275 1.302 18182 1359 1 3 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.581 -1.424 18182 1360 1 3 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.598 3.775 18182 1361 1 3 . 1 1 15 15 TRP H H 673 6.229 6.229 7.296 -1.067 18182 1362 1 3 . 1 1 16 16 PHE N N 674 123.205 123.205 122.681 0.524 18182 1363 1 3 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.754 0.417 18182 1364 1 3 . 1 1 16 16 PHE C C 674 174.832 174.832 173.774 1.058 18182 1365 1 3 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.930 2.942 18182 1366 1 3 . 1 1 16 16 PHE CB C 674 40.208 40.208 41.004 -0.796 18182 1367 1 3 . 1 1 16 16 PHE H H 674 7.625 7.625 7.928 -0.303 18182 1368 1 3 . 1 1 17 17 ALA N N 675 130.669 130.669 130.701 -0.032 18182 1369 1 3 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.804 0.144 18182 1370 1 3 . 1 1 17 17 ALA C C 675 177.266 177.266 175.941 1.325 18182 1371 1 3 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.717 0.551 18182 1372 1 3 . 1 1 17 17 ALA CB C 675 22.428 22.428 20.468 1.960 18182 1373 1 3 . 1 1 17 17 ALA H H 675 9.097 9.097 8.649 0.448 18182 1374 1 3 . 1 1 18 18 GLY C C 676 174.230 174.230 174.143 0.087 18182 1375 1 3 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.934 1.996 18182 1376 1 3 . 1 1 19 19 ASN N N 677 124.910 124.910 121.100 3.810 18182 1377 1 3 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.266 0.628 18182 1378 1 3 . 1 1 19 19 ASN C C 677 174.597 174.597 173.836 0.761 18182 1379 1 3 . 1 1 19 19 ASN CA C 677 52.942 52.942 54.264 -1.322 18182 1380 1 3 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.100 -1.141 18182 1381 1 3 . 1 1 19 19 ASN H H 677 8.682 8.682 8.591 0.091 18182 1382 1 3 . 1 1 20 20 MET N N 678 122.347 122.347 123.715 -1.368 18182 1383 1 3 . 1 1 20 20 MET HA H 678 4.115 4.115 4.701 -0.586 18182 1384 1 3 . 1 1 20 20 MET C C 678 175.451 175.451 174.555 0.896 18182 1385 1 3 . 1 1 20 20 MET CA C 678 56.675 56.675 55.104 1.571 18182 1386 1 3 . 1 1 20 20 MET CB C 678 35.208 35.208 35.763 -0.555 18182 1387 1 3 . 1 1 20 20 MET H H 678 7.006 7.006 8.434 -1.428 18182 1388 1 3 . 1 1 21 21 GLU N N 679 124.989 124.989 125.693 -0.704 18182 1389 1 3 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.310 -0.019 18182 1390 1 3 . 1 1 21 21 GLU C C 679 178.232 178.232 176.836 1.396 18182 1391 1 3 . 1 1 21 21 GLU CA C 679 56.127 56.127 56.986 -0.859 18182 1392 1 3 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.976 -0.044 18182 1393 1 3 . 1 1 21 21 GLU H H 679 8.761 8.761 9.014 -0.253 18182 1394 1 3 . 1 1 22 22 ARG N N 680 125.521 125.521 122.928 2.593 18182 1395 1 3 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.932 -0.596 18182 1396 1 3 . 1 1 22 22 ARG C C 680 177.707 177.707 178.170 -0.463 18182 1397 1 3 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.635 0.409 18182 1398 1 3 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.045 0.012 18182 1399 1 3 . 1 1 22 22 ARG H H 680 9.406 9.406 8.786 0.620 18182 1400 1 3 . 1 1 23 23 GLN N N 681 117.320 117.320 117.929 -0.609 18182 1401 1 3 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.037 0.028 18182 1402 1 3 . 1 1 23 23 GLN C C 681 178.317 178.317 178.257 0.060 18182 1403 1 3 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.799 0.952 18182 1404 1 3 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.654 0.130 18182 1405 1 3 . 1 1 23 23 GLN H H 681 9.048 9.048 8.665 0.383 18182 1406 1 3 . 1 1 24 24 GLN N N 682 117.909 117.909 119.819 -1.910 18182 1407 1 3 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.186 -0.065 18182 1408 1 3 . 1 1 24 24 GLN C C 682 178.190 178.190 178.572 -0.382 18182 1409 1 3 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.031 -0.288 18182 1410 1 3 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.629 -0.314 18182 1411 1 3 . 1 1 24 24 GLN H H 682 7.182 7.182 8.303 -1.121 18182 1412 1 3 . 1 1 25 25 THR N N 683 117.007 117.007 116.222 0.785 18182 1413 1 3 . 1 1 25 25 THR HA H 683 3.681 3.681 4.000 -0.319 18182 1414 1 3 . 1 1 25 25 THR C C 683 175.786 175.786 176.651 -0.865 18182 1415 1 3 . 1 1 25 25 THR CA C 683 67.702 67.702 67.664 0.038 18182 1416 1 3 . 1 1 25 25 THR CB C 683 68.000 68.000 68.218 -0.218 18182 1417 1 3 . 1 1 25 25 THR H H 683 7.903 7.903 8.488 -0.585 18182 1418 1 3 . 1 1 26 26 ASP N N 684 122.824 122.824 121.169 1.655 18182 1419 1 3 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.441 -0.161 18182 1420 1 3 . 1 1 26 26 ASP C C 684 178.269 178.269 178.386 -0.117 18182 1421 1 3 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.643 0.493 18182 1422 1 3 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.839 -0.661 18182 1423 1 3 . 1 1 26 26 ASP H H 684 8.430 8.430 8.353 0.077 18182 1424 1 3 . 1 1 27 27 ASN N N 685 115.634 115.634 118.752 -3.118 18182 1425 1 3 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.528 -0.169 18182 1426 1 3 . 1 1 27 27 ASN C C 685 177.065 177.065 177.929 -0.864 18182 1427 1 3 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.442 0.469 18182 1428 1 3 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.376 0.130 18182 1429 1 3 . 1 1 27 27 ASN H H 685 7.647 7.647 7.817 -0.170 18182 1430 1 3 . 1 1 28 28 LEU N N 686 120.594 120.594 121.498 -0.904 18182 1431 1 3 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.091 0.138 18182 1432 1 3 . 1 1 28 28 LEU C C 686 179.502 179.502 179.111 0.391 18182 1433 1 3 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.357 -0.377 18182 1434 1 3 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.301 0.802 18182 1435 1 3 . 1 1 28 28 LEU H H 686 8.093 8.093 8.484 -0.391 18182 1436 1 3 . 1 1 29 29 LEU N N 687 115.149 115.149 117.963 -2.814 18182 1437 1 3 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.263 -0.181 18182 1438 1 3 . 1 1 29 29 LEU C C 687 178.910 178.910 179.171 -0.261 18182 1439 1 3 . 1 1 29 29 LEU CA C 687 56.917 56.917 57.150 -0.233 18182 1440 1 3 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.854 1.044 18182 1441 1 3 . 1 1 29 29 LEU H H 687 8.386 8.386 8.218 0.168 18182 1442 1 3 . 1 1 30 30 LYS N N 688 118.086 118.086 119.292 -1.206 18182 1443 1 3 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.035 -0.297 18182 1444 1 3 . 1 1 30 30 LYS C C 688 177.312 177.312 177.920 -0.608 18182 1445 1 3 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.126 1.383 18182 1446 1 3 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.490 -0.400 18182 1447 1 3 . 1 1 30 30 LYS H H 688 7.752 7.752 7.925 -0.173 18182 1448 1 3 . 1 1 31 31 SER N N 689 111.134 111.134 112.537 -1.403 18182 1449 1 3 . 1 1 31 31 SER HA H 689 4.460 4.460 4.421 0.039 18182 1450 1 3 . 1 1 31 31 SER C C 689 174.501 174.501 173.579 0.922 18182 1451 1 3 . 1 1 31 31 SER CA C 689 58.559 58.559 58.359 0.200 18182 1452 1 3 . 1 1 31 31 SER CB C 689 63.528 63.528 62.988 0.540 18182 1453 1 3 . 1 1 31 31 SER H H 689 7.629 7.629 7.682 -0.053 18182 1454 1 3 . 1 1 32 32 HIS N N 690 120.218 120.218 119.326 0.892 18182 1455 1 3 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.941 -0.285 18182 1456 1 3 . 1 1 32 32 HIS C C 690 173.855 173.855 174.175 -0.320 18182 1457 1 3 . 1 1 32 32 HIS CA C 690 56.219 56.219 55.129 1.090 18182 1458 1 3 . 1 1 32 32 HIS CB C 690 31.924 31.924 32.662 -0.738 18182 1459 1 3 . 1 1 32 32 HIS H H 690 7.701 7.701 7.623 0.078 18182 1460 1 3 . 1 1 33 33 ALA N N 691 120.317 120.317 122.569 -2.252 18182 1461 1 3 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.481 -0.150 18182 1462 1 3 . 1 1 33 33 ALA C C 691 179.494 179.494 177.779 1.715 18182 1463 1 3 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.919 -0.070 18182 1464 1 3 . 1 1 33 33 ALA CB C 691 20.045 20.045 19.898 0.147 18182 1465 1 3 . 1 1 33 33 ALA H H 691 8.453 8.453 8.516 -0.063 18182 1466 1 3 . 1 1 34 34 SER N N 692 117.274 117.274 114.935 2.339 18182 1467 1 3 . 1 1 34 34 SER HA H 692 4.089 4.089 4.735 -0.646 18182 1468 1 3 . 1 1 34 34 SER C C 692 175.336 175.336 174.308 1.028 18182 1469 1 3 . 1 1 34 34 SER CA C 692 60.531 60.531 59.658 0.873 18182 1470 1 3 . 1 1 34 34 SER CB C 692 63.308 63.308 63.093 0.215 18182 1471 1 3 . 1 1 34 34 SER H H 692 8.997 8.997 8.597 0.400 18182 1472 1 3 . 1 1 35 35 GLY N N 693 113.573 113.573 108.565 5.008 18182 1473 1 3 . 1 1 35 35 GLY C C 693 174.808 174.808 173.209 1.599 18182 1474 1 3 . 1 1 35 35 GLY CA C 693 44.859 44.859 44.779 0.080 18182 1475 1 3 . 1 1 35 35 GLY H H 693 9.926 9.926 8.259 1.667 18182 1476 1 3 . 1 1 36 36 THR N N 694 121.076 121.076 120.376 0.700 18182 1477 1 3 . 1 1 36 36 THR HA H 694 5.962 5.962 5.532 0.430 18182 1478 1 3 . 1 1 36 36 THR C C 694 173.297 173.297 173.433 -0.136 18182 1479 1 3 . 1 1 36 36 THR CA C 694 63.612 63.612 63.203 0.409 18182 1480 1 3 . 1 1 36 36 THR CB C 694 68.317 68.317 69.665 -1.348 18182 1481 1 3 . 1 1 36 36 THR H H 694 8.291 8.291 7.669 0.622 18182 1482 1 3 . 1 1 37 37 TYR N N 695 123.616 123.616 124.662 -1.046 18182 1483 1 3 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.678 0.363 18182 1484 1 3 . 1 1 37 37 TYR C C 695 171.831 171.831 173.067 -1.236 18182 1485 1 3 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.851 0.454 18182 1486 1 3 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.822 2.537 18182 1487 1 3 . 1 1 37 37 TYR H H 695 8.805 8.805 9.193 -0.388 18182 1488 1 3 . 1 1 38 38 LEU N N 696 115.449 115.449 114.336 1.113 18182 1489 1 3 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.077 0.082 18182 1490 1 3 . 1 1 38 38 LEU C C 696 174.331 174.331 174.541 -0.210 18182 1491 1 3 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.633 -0.776 18182 1492 1 3 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.224 0.669 18182 1493 1 3 . 1 1 38 38 LEU H H 696 9.105 9.105 8.452 0.653 18182 1494 1 3 . 1 1 39 39 ILE N N 697 121.911 121.911 118.380 3.531 18182 1495 1 3 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.757 0.662 18182 1496 1 3 . 1 1 39 39 ILE C C 697 173.476 173.476 175.460 -1.984 18182 1497 1 3 . 1 1 39 39 ILE CA C 697 59.925 59.925 58.970 0.955 18182 1498 1 3 . 1 1 39 39 ILE CB C 697 38.929 38.929 39.377 -0.448 18182 1499 1 3 . 1 1 39 39 ILE H H 697 9.313 9.313 8.065 1.248 18182 1500 1 3 . 1 1 40 40 ARG N N 698 122.878 122.878 122.539 0.339 18182 1501 1 3 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.303 -0.011 18182 1502 1 3 . 1 1 40 40 ARG C C 698 174.308 174.308 175.287 -0.979 18182 1503 1 3 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.782 -2.038 18182 1504 1 3 . 1 1 40 40 ARG CB C 698 33.517 33.517 34.045 -0.529 18182 1505 1 3 . 1 1 40 40 ARG H H 698 9.185 9.185 9.040 0.145 18182 1506 1 3 . 1 1 41 41 GLU N N 699 122.405 122.405 121.123 1.282 18182 1507 1 3 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.744 0.153 18182 1508 1 3 . 1 1 41 41 GLU C C 699 176.242 176.242 174.790 1.452 18182 1509 1 3 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.981 -0.455 18182 1510 1 3 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.410 -0.277 18182 1511 1 3 . 1 1 41 41 GLU H H 699 8.634 8.634 8.915 -0.281 18182 1512 1 3 . 1 1 42 42 ARG N N 700 125.045 125.045 127.469 -2.424 18182 1513 1 3 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.755 -0.061 18182 1514 1 3 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.505 0.069 18182 1515 1 3 . 1 1 42 42 ARG H H 700 8.639 8.639 8.023 0.616 18182 1516 1 3 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.226 0.188 18182 1517 1 3 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.518 -0.107 18182 1518 1 3 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.320 -0.822 18182 1519 1 3 . 1 1 44 44 ALA N N 702 122.925 122.925 128.724 -5.799 18182 1520 1 3 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.531 -0.209 18182 1521 1 3 . 1 1 44 44 ALA C C 702 176.610 176.610 177.484 -0.874 18182 1522 1 3 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.212 0.590 18182 1523 1 3 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.576 -1.185 18182 1524 1 3 . 1 1 44 44 ALA H H 702 7.888 7.888 7.873 0.015 18182 1525 1 3 . 1 1 45 45 GLU N N 703 118.799 118.799 119.139 -0.340 18182 1526 1 3 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.252 -0.015 18182 1527 1 3 . 1 1 45 45 GLU C C 703 176.717 176.717 178.803 -2.086 18182 1528 1 3 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.175 -1.274 18182 1529 1 3 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.950 0.136 18182 1530 1 3 . 1 1 45 45 GLU H H 703 7.947 7.947 8.909 -0.962 18182 1531 1 3 . 1 1 46 46 ALA N N 704 120.631 120.631 122.135 -1.504 18182 1532 1 3 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.176 0.239 18182 1533 1 3 . 1 1 46 46 ALA C C 704 178.411 178.411 177.680 0.731 18182 1534 1 3 . 1 1 46 46 ALA CA C 704 54.208 54.208 54.092 0.116 18182 1535 1 3 . 1 1 46 46 ALA CB C 704 19.243 19.243 18.849 0.394 18182 1536 1 3 . 1 1 46 46 ALA H H 704 8.643 8.643 8.154 0.489 18182 1537 1 3 . 1 1 47 47 GLU N N 705 119.341 119.341 117.032 2.309 18182 1538 1 3 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.944 -0.088 18182 1539 1 3 . 1 1 47 47 GLU C C 705 176.013 176.013 176.318 -0.305 18182 1540 1 3 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.663 -0.805 18182 1541 1 3 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.960 -4.126 18182 1542 1 3 . 1 1 47 47 GLU H H 705 7.635 7.635 8.119 -0.484 18182 1543 1 3 . 1 1 48 48 ARG N N 706 120.355 120.355 119.847 0.508 18182 1544 1 3 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.366 -0.401 18182 1545 1 3 . 1 1 48 48 ARG C C 706 175.117 175.117 175.717 -0.600 18182 1546 1 3 . 1 1 48 48 ARG CA C 706 58.155 58.155 55.822 2.333 18182 1547 1 3 . 1 1 48 48 ARG CB C 706 31.691 31.691 32.202 -0.511 18182 1548 1 3 . 1 1 48 48 ARG H H 706 7.971 7.971 8.215 -0.244 18182 1549 1 3 . 1 1 49 49 PHE N N 707 112.251 112.251 116.524 -4.273 18182 1550 1 3 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.983 0.922 18182 1551 1 3 . 1 1 49 49 PHE C C 707 173.875 173.875 173.697 0.178 18182 1552 1 3 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.293 -1.484 18182 1553 1 3 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.489 -0.414 18182 1554 1 3 . 1 1 49 49 PHE H H 707 7.857 7.857 7.383 0.474 18182 1555 1 3 . 1 1 50 50 ALA N N 708 118.730 118.730 121.502 -2.772 18182 1556 1 3 . 1 1 50 50 ALA HA H 708 5.454 5.454 4.878 0.576 18182 1557 1 3 . 1 1 50 50 ALA C C 708 176.479 176.479 175.502 0.977 18182 1558 1 3 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.047 -0.205 18182 1559 1 3 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.139 -0.421 18182 1560 1 3 . 1 1 50 50 ALA H H 708 9.205 9.205 8.719 0.486 18182 1561 1 3 . 1 1 51 51 ILE N N 709 120.037 120.037 123.178 -3.141 18182 1562 1 3 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.840 -0.094 18182 1563 1 3 . 1 1 51 51 ILE C C 709 175.120 175.120 175.705 -0.585 18182 1564 1 3 . 1 1 51 51 ILE CA C 709 60.723 60.723 59.114 1.609 18182 1565 1 3 . 1 1 51 51 ILE CB C 709 40.300 40.300 39.479 0.821 18182 1566 1 3 . 1 1 51 51 ILE H H 709 9.262 9.262 8.972 0.290 18182 1567 1 3 . 1 1 52 52 SER N N 710 125.087 125.087 121.171 3.916 18182 1568 1 3 . 1 1 52 52 SER HA H 710 5.468 5.468 5.007 0.461 18182 1569 1 3 . 1 1 52 52 SER C C 710 172.060 172.060 172.314 -0.254 18182 1570 1 3 . 1 1 52 52 SER CA C 710 57.761 57.761 57.079 0.682 18182 1571 1 3 . 1 1 52 52 SER CB C 710 65.210 65.210 64.801 0.409 18182 1572 1 3 . 1 1 52 52 SER H H 710 9.205 9.205 8.474 0.731 18182 1573 1 3 . 1 1 53 53 ILE N N 711 121.753 121.753 125.545 -3.792 18182 1574 1 3 . 1 1 53 53 ILE HA H 711 5.195 5.195 4.963 0.232 18182 1575 1 3 . 1 1 53 53 ILE C C 711 173.070 173.070 172.862 0.208 18182 1576 1 3 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.114 -1.359 18182 1577 1 3 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.021 0.336 18182 1578 1 3 . 1 1 53 53 ILE H H 711 8.989 8.989 8.852 0.137 18182 1579 1 3 . 1 1 54 54 LYS N N 712 128.758 128.758 127.476 1.282 18182 1580 1 3 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.032 -0.245 18182 1581 1 3 . 1 1 54 54 LYS C C 712 174.899 174.899 174.938 -0.039 18182 1582 1 3 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.831 -0.464 18182 1583 1 3 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.038 -0.680 18182 1584 1 3 . 1 1 54 54 LYS H H 712 8.894 8.894 8.538 0.356 18182 1585 1 3 . 1 1 55 55 PHE N N 713 130.369 130.369 125.684 4.685 18182 1586 1 3 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.716 0.231 18182 1587 1 3 . 1 1 55 55 PHE C C 713 174.238 174.238 173.777 0.461 18182 1588 1 3 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.621 0.544 18182 1589 1 3 . 1 1 55 55 PHE CB C 713 41.804 41.804 43.544 -1.740 18182 1590 1 3 . 1 1 55 55 PHE H H 713 9.464 9.464 9.182 0.282 18182 1591 1 3 . 1 1 56 56 ASN N N 714 125.719 125.719 124.919 0.800 18182 1592 1 3 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.010 -0.069 18182 1593 1 3 . 1 1 56 56 ASN C C 714 174.003 174.003 174.777 -0.774 18182 1594 1 3 . 1 1 56 56 ASN CA C 714 55.230 55.230 54.268 0.962 18182 1595 1 3 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.158 -1.018 18182 1596 1 3 . 1 1 56 56 ASN H H 714 8.411 8.411 8.625 -0.214 18182 1597 1 3 . 1 1 57 57 ASP N N 715 117.904 117.904 114.374 3.530 18182 1598 1 3 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.140 0.481 18182 1599 1 3 . 1 1 57 57 ASP C C 715 174.858 174.858 174.093 0.765 18182 1600 1 3 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.271 -1.089 18182 1601 1 3 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.524 0.362 18182 1602 1 3 . 1 1 57 57 ASP H H 715 8.542 8.542 8.349 0.193 18182 1603 1 3 . 1 1 58 58 GLU N N 716 118.707 118.707 115.108 3.599 18182 1604 1 3 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.633 0.077 18182 1605 1 3 . 1 1 58 58 GLU C C 716 173.755 173.755 174.587 -0.832 18182 1606 1 3 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.053 -0.006 18182 1607 1 3 . 1 1 58 58 GLU CB C 716 34.286 34.286 34.572 -0.286 18182 1608 1 3 . 1 1 58 58 GLU H H 716 7.889 7.889 7.697 0.192 18182 1609 1 3 . 1 1 59 59 VAL N N 717 120.720 120.720 122.953 -2.233 18182 1610 1 3 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.393 0.037 18182 1611 1 3 . 1 1 59 59 VAL C C 717 175.071 175.071 176.068 -0.997 18182 1612 1 3 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.108 0.030 18182 1613 1 3 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.623 0.448 18182 1614 1 3 . 1 1 59 59 VAL H H 717 8.536 8.536 8.525 0.011 18182 1615 1 3 . 1 1 60 60 LYS N N 718 126.403 126.403 128.014 -1.611 18182 1616 1 3 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.641 -0.086 18182 1617 1 3 . 1 1 60 60 LYS C C 718 174.578 174.578 174.593 -0.015 18182 1618 1 3 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.823 -0.706 18182 1619 1 3 . 1 1 60 60 LYS CB C 718 34.906 34.906 35.000 -0.094 18182 1620 1 3 . 1 1 60 60 LYS H H 718 8.879 8.879 9.042 -0.163 18182 1621 1 3 . 1 1 61 61 HIS N N 719 118.939 118.939 117.871 1.068 18182 1622 1 3 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.229 0.281 18182 1623 1 3 . 1 1 61 61 HIS C C 719 174.482 174.482 174.496 -0.014 18182 1624 1 3 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.298 0.120 18182 1625 1 3 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.211 2.038 18182 1626 1 3 . 1 1 61 61 HIS H H 719 8.846 8.846 8.385 0.461 18182 1627 1 3 . 1 1 62 62 ILE N N 720 124.690 124.690 123.519 1.171 18182 1628 1 3 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.456 0.052 18182 1629 1 3 . 1 1 62 62 ILE C C 720 176.221 176.221 174.913 1.308 18182 1630 1 3 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.167 0.116 18182 1631 1 3 . 1 1 62 62 ILE CB C 720 43.022 43.022 40.670 2.352 18182 1632 1 3 . 1 1 62 62 ILE H H 720 9.704 9.704 8.933 0.771 18182 1633 1 3 . 1 1 63 63 LYS N N 721 126.432 126.432 127.890 -1.458 18182 1634 1 3 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.314 -0.179 18182 1635 1 3 . 1 1 63 63 LYS C C 721 174.783 174.783 175.252 -0.469 18182 1636 1 3 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.938 1.540 18182 1637 1 3 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.052 0.801 18182 1638 1 3 . 1 1 63 63 LYS H H 721 9.100 9.100 8.736 0.364 18182 1639 1 3 . 1 1 64 64 VAL N N 722 123.306 123.306 121.443 1.863 18182 1640 1 3 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.381 -0.123 18182 1641 1 3 . 1 1 64 64 VAL C C 722 174.284 174.284 174.321 -0.037 18182 1642 1 3 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.236 0.056 18182 1643 1 3 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.938 -0.392 18182 1644 1 3 . 1 1 64 64 VAL H H 722 8.441 8.441 7.918 0.523 18182 1645 1 3 . 1 1 65 65 VAL N N 723 126.508 126.508 126.925 -0.417 18182 1646 1 3 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.653 -0.371 18182 1647 1 3 . 1 1 65 65 VAL C C 723 174.127 174.127 174.156 -0.029 18182 1648 1 3 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.670 0.929 18182 1649 1 3 . 1 1 65 65 VAL CB C 723 33.717 33.717 35.166 -1.449 18182 1650 1 3 . 1 1 65 65 VAL H H 723 8.462 8.462 8.121 0.341 18182 1651 1 3 . 1 1 66 66 GLU N N 724 126.016 126.016 127.861 -1.845 18182 1652 1 3 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.041 0.185 18182 1653 1 3 . 1 1 66 66 GLU C C 724 175.409 175.409 175.113 0.296 18182 1654 1 3 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.897 -0.146 18182 1655 1 3 . 1 1 66 66 GLU CB C 724 32.457 32.457 32.422 0.035 18182 1656 1 3 . 1 1 66 66 GLU H H 724 8.619 8.619 8.441 0.178 18182 1657 1 3 . 1 1 67 67 LYS N N 725 125.813 125.813 124.292 1.521 18182 1658 1 3 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.533 -0.036 18182 1659 1 3 . 1 1 67 67 LYS C C 725 175.635 175.635 175.609 0.026 18182 1660 1 3 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.816 0.607 18182 1661 1 3 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.469 -0.171 18182 1662 1 3 . 1 1 67 67 LYS H H 725 8.740 8.740 8.748 -0.008 18182 1663 1 3 . 1 1 68 68 ASP N N 726 126.958 126.958 122.232 4.726 18182 1664 1 3 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.293 -0.062 18182 1665 1 3 . 1 1 68 68 ASP C C 726 174.341 174.341 174.844 -0.503 18182 1666 1 3 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.408 0.845 18182 1667 1 3 . 1 1 68 68 ASP CB C 726 39.499 39.499 40.252 -0.753 18182 1668 1 3 . 1 1 68 68 ASP H H 726 9.499 9.499 8.697 0.802 18182 1669 1 3 . 1 1 69 69 ASN N N 727 110.214 110.214 112.363 -2.149 18182 1670 1 3 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.064 0.201 18182 1671 1 3 . 1 1 69 69 ASN C C 727 173.779 173.779 172.710 1.069 18182 1672 1 3 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.311 0.378 18182 1673 1 3 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.270 0.218 18182 1674 1 3 . 1 1 69 69 ASN H H 727 8.348 8.348 8.315 0.033 18182 1675 1 3 . 1 1 70 70 TRP N N 728 119.007 119.007 115.099 3.908 18182 1676 1 3 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.159 0.231 18182 1677 1 3 . 1 1 70 70 TRP C C 728 174.779 174.779 175.072 -0.293 18182 1678 1 3 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.216 1.610 18182 1679 1 3 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.150 1.405 18182 1680 1 3 . 1 1 70 70 TRP H H 728 8.063 8.063 7.420 0.643 18182 1681 1 3 . 1 1 71 71 ILE N N 729 122.016 122.016 121.622 0.394 18182 1682 1 3 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.766 0.834 18182 1683 1 3 . 1 1 71 71 ILE C C 729 175.184 175.184 174.170 1.014 18182 1684 1 3 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.527 -0.673 18182 1685 1 3 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.891 0.705 18182 1686 1 3 . 1 1 71 71 ILE H H 729 9.378 9.378 9.266 0.112 18182 1687 1 3 . 1 1 72 72 HIS N N 730 121.306 121.306 122.491 -1.185 18182 1688 1 3 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.195 0.023 18182 1689 1 3 . 1 1 72 72 HIS C C 730 173.714 173.714 174.555 -0.841 18182 1690 1 3 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.814 0.828 18182 1691 1 3 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.483 1.022 18182 1692 1 3 . 1 1 72 72 HIS H H 730 9.048 9.048 8.233 0.815 18182 1693 1 3 . 1 1 73 73 ILE N N 731 112.643 112.643 115.947 -3.304 18182 1694 1 3 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.501 0.436 18182 1695 1 3 . 1 1 73 73 ILE C C 731 175.442 175.442 175.462 -0.020 18182 1696 1 3 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.566 0.113 18182 1697 1 3 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.079 0.327 18182 1698 1 3 . 1 1 73 73 ILE H H 731 9.499 9.499 8.644 0.855 18182 1699 1 3 . 1 1 74 74 THR N N 732 115.752 115.752 110.857 4.895 18182 1700 1 3 . 1 1 74 74 THR HA H 732 4.812 4.812 4.517 0.295 18182 1701 1 3 . 1 1 74 74 THR C C 732 173.575 173.575 174.447 -0.872 18182 1702 1 3 . 1 1 74 74 THR CA C 732 58.650 58.650 59.364 -0.714 18182 1703 1 3 . 1 1 74 74 THR CB C 732 70.177 70.177 71.648 -1.471 18182 1704 1 3 . 1 1 74 74 THR H H 732 8.364 8.364 7.649 0.715 18182 1705 1 3 . 1 1 75 75 GLU N N 733 124.910 124.910 120.066 4.844 18182 1706 1 3 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.345 -1.372 18182 1707 1 3 . 1 1 75 75 GLU C C 733 175.609 175.609 175.653 -0.044 18182 1708 1 3 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.112 2.550 18182 1709 1 3 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.839 0.124 18182 1710 1 3 . 1 1 75 75 GLU H H 733 8.754 8.754 8.829 -0.075 18182 1711 1 3 . 1 1 76 76 ALA N N 734 117.847 117.847 121.724 -3.877 18182 1712 1 3 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.420 -0.480 18182 1713 1 3 . 1 1 76 76 ALA C C 734 177.033 177.033 177.290 -0.257 18182 1714 1 3 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.450 0.724 18182 1715 1 3 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.254 -0.761 18182 1716 1 3 . 1 1 76 76 ALA H H 734 7.538 7.538 7.560 -0.022 18182 1717 1 3 . 1 1 77 77 LYS N N 735 119.518 119.518 119.322 0.196 18182 1718 1 3 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.361 -0.250 18182 1719 1 3 . 1 1 77 77 LYS C C 735 171.953 171.953 174.462 -2.509 18182 1720 1 3 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.241 -0.542 18182 1721 1 3 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.943 -0.658 18182 1722 1 3 . 1 1 77 77 LYS H H 735 7.326 7.326 7.719 -0.393 18182 1723 1 3 . 1 1 78 78 LYS N N 736 123.200 123.200 118.014 5.186 18182 1724 1 3 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.399 0.332 18182 1725 1 3 . 1 1 78 78 LYS C C 736 175.123 175.123 175.137 -0.014 18182 1726 1 3 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.656 0.454 18182 1727 1 3 . 1 1 78 78 LYS CB C 736 34.970 34.970 35.043 -0.073 18182 1728 1 3 . 1 1 78 78 LYS H H 736 7.893 7.893 7.611 0.282 18182 1729 1 3 . 1 1 79 79 PHE N N 737 117.916 117.916 118.129 -0.213 18182 1730 1 3 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.574 0.420 18182 1731 1 3 . 1 1 79 79 PHE C C 737 175.595 175.595 175.054 0.541 18182 1732 1 3 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.249 -0.308 18182 1733 1 3 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.989 0.424 18182 1734 1 3 . 1 1 79 79 PHE H H 737 9.121 9.121 8.740 0.381 18182 1735 1 3 . 1 1 80 80 ASP N N 738 119.341 119.341 121.160 -1.819 18182 1736 1 3 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.047 -0.298 18182 1737 1 3 . 1 1 80 80 ASP C C 738 176.035 176.035 175.505 0.530 18182 1738 1 3 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.483 0.229 18182 1739 1 3 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.047 -0.338 18182 1740 1 3 . 1 1 80 80 ASP H H 738 9.377 9.377 8.879 0.498 18182 1741 1 3 . 1 1 81 81 SER N N 739 108.518 108.518 107.735 0.783 18182 1742 1 3 . 1 1 81 81 SER HA H 739 4.694 4.694 4.504 0.190 18182 1743 1 3 . 1 1 81 81 SER C C 739 173.791 173.791 173.916 -0.125 18182 1744 1 3 . 1 1 81 81 SER CA C 739 57.049 57.049 57.469 -0.420 18182 1745 1 3 . 1 1 81 81 SER CB C 739 66.839 66.839 64.886 1.953 18182 1746 1 3 . 1 1 81 81 SER H H 739 7.447 7.447 7.415 0.032 18182 1747 1 3 . 1 1 82 82 LEU N N 740 122.626 122.626 123.465 -0.839 18182 1748 1 3 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.072 -0.261 18182 1749 1 3 . 1 1 82 82 LEU C C 740 177.172 177.172 178.234 -1.062 18182 1750 1 3 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.666 -1.197 18182 1751 1 3 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.985 -1.166 18182 1752 1 3 . 1 1 82 82 LEU H H 740 8.969 8.969 8.520 0.449 18182 1753 1 3 . 1 1 83 83 LEU N N 741 116.575 116.575 119.020 -2.445 18182 1754 1 3 . 1 1 83 83 LEU HA H 741 3.837 3.837 4.055 -0.218 18182 1755 1 3 . 1 1 83 83 LEU C C 741 177.492 177.492 178.221 -0.729 18182 1756 1 3 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.436 -0.172 18182 1757 1 3 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.895 0.034 18182 1758 1 3 . 1 1 83 83 LEU H H 741 7.770 7.770 7.922 -0.152 18182 1759 1 3 . 1 1 84 84 GLU N N 742 116.865 116.865 118.908 -2.043 18182 1760 1 3 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.309 -0.391 18182 1761 1 3 . 1 1 84 84 GLU C C 742 178.252 178.252 178.933 -0.681 18182 1762 1 3 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.523 -0.132 18182 1763 1 3 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.855 0.604 18182 1764 1 3 . 1 1 84 84 GLU H H 742 7.585 7.585 8.014 -0.429 18182 1765 1 3 . 1 1 85 85 LEU N N 743 122.164 122.164 120.774 1.390 18182 1766 1 3 . 1 1 85 85 LEU HA H 743 2.028 2.028 3.060 -1.032 18182 1767 1 3 . 1 1 85 85 LEU C C 743 177.335 177.335 178.799 -1.464 18182 1768 1 3 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.488 1.283 18182 1769 1 3 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.126 0.701 18182 1770 1 3 . 1 1 85 85 LEU H H 743 7.109 7.109 7.332 -0.223 18182 1771 1 3 . 1 1 86 86 VAL N N 744 119.760 119.760 119.276 0.484 18182 1772 1 3 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.378 -0.525 18182 1773 1 3 . 1 1 86 86 VAL C C 744 177.675 177.675 177.930 -0.255 18182 1774 1 3 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.612 0.500 18182 1775 1 3 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.713 0.398 18182 1776 1 3 . 1 1 86 86 VAL H H 744 8.113 8.113 8.433 -0.320 18182 1777 1 3 . 1 1 87 87 GLU N N 745 116.227 116.227 119.873 -3.646 18182 1778 1 3 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.804 -0.042 18182 1779 1 3 . 1 1 87 87 GLU C C 745 179.530 179.530 178.987 0.543 18182 1780 1 3 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.244 0.194 18182 1781 1 3 . 1 1 87 87 GLU CB C 745 29.152 29.152 28.933 0.220 18182 1782 1 3 . 1 1 87 87 GLU H H 745 8.182 8.182 8.007 0.175 18182 1783 1 3 . 1 1 88 88 TYR N N 746 120.102 120.102 121.171 -1.069 18182 1784 1 3 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.160 -0.013 18182 1785 1 3 . 1 1 88 88 TYR C C 746 179.970 179.970 178.105 1.865 18182 1786 1 3 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.385 0.345 18182 1787 1 3 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.649 0.239 18182 1788 1 3 . 1 1 88 88 TYR H H 746 7.795 7.795 7.636 0.159 18182 1789 1 3 . 1 1 89 89 TYR N N 747 118.508 118.508 118.166 0.342 18182 1790 1 3 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.555 0.546 18182 1791 1 3 . 1 1 89 89 TYR C C 747 175.885 175.885 178.627 -2.742 18182 1792 1 3 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.040 0.137 18182 1793 1 3 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.948 -0.905 18182 1794 1 3 . 1 1 89 89 TYR H H 747 7.798 7.798 8.046 -0.248 18182 1795 1 3 . 1 1 90 90 GLN N N 748 118.741 118.741 117.728 1.013 18182 1796 1 3 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.829 0.591 18182 1797 1 3 . 1 1 90 90 GLN C C 748 177.767 177.767 176.593 1.174 18182 1798 1 3 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.777 -0.906 18182 1799 1 3 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.537 0.136 18182 1800 1 3 . 1 1 90 90 GLN H H 748 7.925 7.925 7.954 -0.029 18182 1801 1 3 . 1 1 91 91 CYS N N 749 111.312 111.312 113.808 -2.496 18182 1802 1 3 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.334 0.307 18182 1803 1 3 . 1 1 91 91 CYS C C 749 173.010 173.010 174.744 -1.734 18182 1804 1 3 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.402 -0.867 18182 1805 1 3 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.764 -0.585 18182 1806 1 3 . 1 1 91 91 CYS H H 749 7.178 7.178 7.285 -0.107 18182 1807 1 3 . 1 1 92 92 HIS N N 750 120.386 120.386 119.051 1.335 18182 1808 1 3 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.546 -0.178 18182 1809 1 3 . 1 1 92 92 HIS C C 750 171.815 171.815 174.489 -2.674 18182 1810 1 3 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.877 -0.709 18182 1811 1 3 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.860 -1.554 18182 1812 1 3 . 1 1 92 92 HIS H H 750 7.540 7.540 8.117 -0.577 18182 1813 1 3 . 1 1 93 93 SER N N 751 113.259 113.259 116.769 -3.510 18182 1814 1 3 . 1 1 93 93 SER HA H 751 3.812 3.812 4.374 -0.562 18182 1815 1 3 . 1 1 93 93 SER C C 751 176.644 176.644 175.685 0.959 18182 1816 1 3 . 1 1 93 93 SER CA C 751 58.040 58.040 57.524 0.516 18182 1817 1 3 . 1 1 93 93 SER CB C 751 62.954 62.954 63.977 -1.023 18182 1818 1 3 . 1 1 93 93 SER H H 751 8.397 8.397 8.704 -0.307 18182 1819 1 3 . 1 1 94 94 LEU N N 752 127.166 127.166 124.150 3.016 18182 1820 1 3 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.801 -0.661 18182 1821 1 3 . 1 1 94 94 LEU C C 752 177.462 177.462 177.677 -0.215 18182 1822 1 3 . 1 1 94 94 LEU CA C 752 58.300 58.300 55.511 2.789 18182 1823 1 3 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.405 0.927 18182 1824 1 3 . 1 1 94 94 LEU H H 752 8.580 8.580 8.446 0.134 18182 1825 1 3 . 1 1 95 95 LYS N N 753 122.119 122.119 119.547 2.572 18182 1826 1 3 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.619 -0.179 18182 1827 1 3 . 1 1 95 95 LYS C C 753 176.253 176.253 178.456 -2.203 18182 1828 1 3 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.676 -1.447 18182 1829 1 3 . 1 1 95 95 LYS CB C 753 32.344 32.344 32.183 0.161 18182 1830 1 3 . 1 1 95 95 LYS H H 753 8.322 8.322 7.564 0.758 18182 1831 1 3 . 1 1 96 96 GLU N N 754 115.310 115.310 119.888 -4.578 18182 1832 1 3 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.081 0.056 18182 1833 1 3 . 1 1 96 96 GLU C C 754 176.704 176.704 177.803 -1.099 18182 1834 1 3 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.567 -0.078 18182 1835 1 3 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.289 0.388 18182 1836 1 3 . 1 1 96 96 GLU H H 754 7.197 7.197 8.079 -0.882 18182 1837 1 3 . 1 1 97 97 SER N N 755 113.390 113.390 113.875 -0.485 18182 1838 1 3 . 1 1 97 97 SER HA H 755 4.583 4.583 4.341 0.242 18182 1839 1 3 . 1 1 97 97 SER C C 755 171.185 171.185 174.616 -3.431 18182 1840 1 3 . 1 1 97 97 SER CA C 755 59.569 59.569 60.109 -0.540 18182 1841 1 3 . 1 1 97 97 SER CB C 755 66.435 66.435 64.323 2.112 18182 1842 1 3 . 1 1 97 97 SER H H 755 7.857 7.857 8.279 -0.422 18182 1843 1 3 . 1 1 98 98 PHE N N 756 121.328 121.328 121.082 0.246 18182 1844 1 3 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.760 0.005 18182 1845 1 3 . 1 1 98 98 PHE C C 756 175.774 175.774 175.715 0.059 18182 1846 1 3 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.404 0.467 18182 1847 1 3 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.721 0.990 18182 1848 1 3 . 1 1 98 98 PHE H H 756 8.409 8.409 8.180 0.229 18182 1849 1 3 . 1 1 99 99 LYS N N 757 121.656 121.656 125.528 -3.872 18182 1850 1 3 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.174 -0.061 18182 1851 1 3 . 1 1 99 99 LYS C C 757 177.188 177.188 176.973 0.215 18182 1852 1 3 . 1 1 99 99 LYS CA C 757 59.736 59.736 58.935 0.801 18182 1853 1 3 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.058 0.298 18182 1854 1 3 . 1 1 99 99 LYS H H 757 8.602 8.602 8.708 -0.106 18182 1855 1 3 . 1 1 100 100 GLN N N 758 115.783 115.783 117.444 -1.661 18182 1856 1 3 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.232 0.151 18182 1857 1 3 . 1 1 100 100 GLN C C 758 175.849 175.849 176.228 -0.379 18182 1858 1 3 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.447 -1.615 18182 1859 1 3 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.776 -0.459 18182 1860 1 3 . 1 1 100 100 GLN H H 758 9.139 9.139 8.447 0.692 18182 1861 1 3 . 1 1 101 101 LEU N N 759 124.876 124.876 119.748 5.128 18182 1862 1 3 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.795 -1.103 18182 1863 1 3 . 1 1 101 101 LEU C C 759 173.219 173.219 176.148 -2.929 18182 1864 1 3 . 1 1 101 101 LEU CA C 759 52.448 52.448 55.013 -2.565 18182 1865 1 3 . 1 1 101 101 LEU CB C 759 41.988 41.988 44.037 -2.049 18182 1866 1 3 . 1 1 101 101 LEU H H 759 7.924 7.924 7.717 0.207 18182 1867 1 3 . 1 1 102 102 ASP N N 760 119.263 119.263 116.928 2.335 18182 1868 1 3 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.878 -0.311 18182 1869 1 3 . 1 1 102 102 ASP C C 760 173.570 173.570 174.816 -1.246 18182 1870 1 3 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.882 -2.007 18182 1871 1 3 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.423 -2.394 18182 1872 1 3 . 1 1 102 102 ASP H H 760 6.564 6.564 8.455 -1.891 18182 1873 1 3 . 1 1 103 103 THR N N 761 117.311 117.311 112.318 4.993 18182 1874 1 3 . 1 1 103 103 THR HA H 761 4.701 4.701 4.231 0.470 18182 1875 1 3 . 1 1 103 103 THR C C 761 172.169 172.169 172.804 -0.635 18182 1876 1 3 . 1 1 103 103 THR CA C 761 60.491 60.491 59.698 0.793 18182 1877 1 3 . 1 1 103 103 THR CB C 761 69.358 69.358 69.942 -0.584 18182 1878 1 3 . 1 1 103 103 THR H H 761 7.699 7.699 7.420 0.279 18182 1879 1 3 . 1 1 104 104 THR N N 762 114.211 114.211 114.232 -0.021 18182 1880 1 3 . 1 1 104 104 THR HA H 762 4.603 4.603 4.445 0.158 18182 1881 1 3 . 1 1 104 104 THR C C 762 175.647 175.647 173.680 1.967 18182 1882 1 3 . 1 1 104 104 THR CA C 762 60.899 60.899 59.682 1.217 18182 1883 1 3 . 1 1 104 104 THR CB C 762 70.981 70.981 71.421 -0.440 18182 1884 1 3 . 1 1 104 104 THR H H 762 7.300 7.300 8.016 -0.716 18182 1885 1 3 . 1 1 105 105 LEU N N 763 117.640 117.640 122.526 -4.886 18182 1886 1 3 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.757 -0.234 18182 1887 1 3 . 1 1 105 105 LEU C C 763 174.500 174.500 176.528 -2.028 18182 1888 1 3 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.192 -1.037 18182 1889 1 3 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.418 -3.671 18182 1890 1 3 . 1 1 105 105 LEU H H 763 8.113 8.113 8.047 0.066 18182 1891 1 3 . 1 1 106 106 LYS N N 764 127.345 127.345 125.258 2.087 18182 1892 1 3 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.101 -0.090 18182 1893 1 3 . 1 1 106 106 LYS C C 764 176.781 176.781 176.582 0.199 18182 1894 1 3 . 1 1 106 106 LYS CA C 764 59.888 59.888 57.523 2.365 18182 1895 1 3 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.011 1.212 18182 1896 1 3 . 1 1 106 106 LYS H H 764 7.181 7.181 8.124 -0.943 18182 1897 1 3 . 1 1 107 107 TYR N N 765 115.756 115.756 117.095 -1.339 18182 1898 1 3 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.911 0.610 18182 1899 1 3 . 1 1 107 107 TYR C C 765 172.106 172.106 172.430 -0.324 18182 1900 1 3 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.815 -3.194 18182 1901 1 3 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.470 1.048 18182 1902 1 3 . 1 1 107 107 TYR H H 765 7.877 7.877 8.459 -0.582 18182 1903 1 3 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.257 -0.584 18182 1904 1 3 . 1 1 108 108 PRO C C 766 180.696 180.696 176.305 4.391 18182 1905 1 3 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.722 0.889 18182 1906 1 3 . 1 1 109 109 TYR N N 767 122.570 122.570 113.464 9.106 18182 1907 1 3 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.173 -0.356 18182 1908 1 3 . 1 1 109 109 TYR C C 767 174.769 174.769 177.305 -2.536 18182 1909 1 3 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.285 0.898 18182 1910 1 3 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.484 -0.018 18182 1911 1 3 . 1 1 109 109 TYR H H 767 8.341 8.341 8.349 -0.008 18182 1912 1 3 . 1 1 110 110 LYS N N 768 118.398 118.398 119.171 -0.773 18182 1913 1 3 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.077 -0.135 18182 1914 1 3 . 1 1 110 110 LYS C C 768 176.453 176.453 175.801 0.652 18182 1915 1 3 . 1 1 110 110 LYS CA C 768 56.901 56.901 56.581 0.320 18182 1916 1 3 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.235 0.346 18182 1917 1 3 . 1 1 110 110 LYS H H 768 6.790 6.790 7.579 -0.789 18182 1918 1 3 . 1 1 111 111 SER N N 769 114.260 114.260 111.385 2.875 18182 1919 1 3 . 1 1 111 111 SER HA H 769 4.384 4.384 4.125 0.259 18182 1920 1 3 . 1 1 111 111 SER C C 769 174.124 174.124 173.992 0.132 18182 1921 1 3 . 1 1 111 111 SER CA C 769 58.802 58.802 58.670 0.131 18182 1922 1 3 . 1 1 111 111 SER CB C 769 64.206 64.206 62.290 1.916 18182 1923 1 3 . 1 1 111 111 SER H H 769 7.769 7.769 7.960 -0.191 18182 1924 1 3 . 1 1 112 112 ARG N N 770 122.485 122.485 121.824 0.661 18182 1925 1 3 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.179 0.199 18182 1926 1 3 . 1 1 112 112 ARG C C 770 175.139 175.139 176.156 -1.017 18182 1927 1 3 . 1 1 112 112 ARG CA C 770 55.628 55.628 56.932 -1.304 18182 1928 1 3 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.820 0.115 18182 1929 1 3 . 1 1 112 112 ARG H H 770 8.109 8.109 8.408 -0.299 18182 1930 1 4 . 1 1 2 2 ARG N N 660 123.565 123.565 123.092 0.473 18182 1931 1 4 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.795 -0.165 18182 1932 1 4 . 1 1 2 2 ARG C C 660 173.529 173.529 173.696 -0.167 18182 1933 1 4 . 1 1 2 2 ARG CA C 660 53.869 53.869 54.871 -1.002 18182 1934 1 4 . 1 1 2 2 ARG CB C 660 30.428 30.428 32.000 -1.572 18182 1935 1 4 . 1 1 2 2 ARG H H 660 8.295 8.295 8.295 -0.000 18182 1936 1 4 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.749 -0.077 18182 1937 1 4 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.399 0.013 18182 1938 1 4 . 1 1 4 4 PRO C C 662 177.096 177.096 176.941 0.155 18182 1939 1 4 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.045 0.251 18182 1940 1 4 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.276 -0.254 18182 1941 1 4 . 1 1 5 5 SER N N 663 116.025 116.025 118.969 -2.944 18182 1942 1 4 . 1 1 5 5 SER HA H 663 4.374 4.374 4.353 0.021 18182 1943 1 4 . 1 1 5 5 SER C C 663 174.815 174.815 174.268 0.547 18182 1944 1 4 . 1 1 5 5 SER CA C 663 58.797 58.797 59.190 -0.393 18182 1945 1 4 . 1 1 5 5 SER CB C 663 64.024 64.024 62.265 1.759 18182 1946 1 4 . 1 1 5 5 SER H H 663 8.406 8.406 8.499 -0.093 18182 1947 1 4 . 1 1 6 6 ARG N N 664 122.062 122.062 124.391 -2.329 18182 1948 1 4 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.632 -0.253 18182 1949 1 4 . 1 1 6 6 ARG C C 664 175.958 175.958 176.299 -0.341 18182 1950 1 4 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.388 -0.252 18182 1951 1 4 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.688 -0.976 18182 1952 1 4 . 1 1 6 6 ARG H H 664 8.371 8.371 8.490 -0.119 18182 1953 1 4 . 1 1 7 7 GLU N N 665 122.160 122.160 119.884 2.276 18182 1954 1 4 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.684 -0.371 18182 1955 1 4 . 1 1 7 7 GLU C C 665 175.842 175.842 175.500 0.342 18182 1956 1 4 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.446 0.964 18182 1957 1 4 . 1 1 7 7 GLU CB C 665 29.972 29.972 31.782 -1.810 18182 1958 1 4 . 1 1 7 7 GLU H H 665 8.352 8.352 8.251 0.101 18182 1959 1 4 . 1 1 8 8 ILE N N 666 123.828 123.828 122.601 1.227 18182 1960 1 4 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.059 -0.219 18182 1961 1 4 . 1 1 8 8 ILE C C 666 174.373 174.373 175.940 -1.567 18182 1962 1 4 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.518 -0.591 18182 1963 1 4 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.439 1.102 18182 1964 1 4 . 1 1 8 8 ILE H H 666 7.938 7.938 8.492 -0.554 18182 1965 1 4 . 1 1 9 9 ASP N N 667 124.338 124.338 128.818 -4.480 18182 1966 1 4 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.621 -0.002 18182 1967 1 4 . 1 1 9 9 ASP C C 667 177.006 177.006 176.457 0.549 18182 1968 1 4 . 1 1 9 9 ASP CA C 667 52.052 52.052 54.072 -2.020 18182 1969 1 4 . 1 1 9 9 ASP CB C 667 40.364 40.364 39.788 0.576 18182 1970 1 4 . 1 1 9 9 ASP H H 667 8.111 8.111 8.830 -0.719 18182 1971 1 4 . 1 1 10 10 TYR N N 668 125.199 125.199 122.079 3.120 18182 1972 1 4 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.321 -0.133 18182 1973 1 4 . 1 1 10 10 TYR C C 668 175.947 175.947 176.982 -1.035 18182 1974 1 4 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.840 -0.157 18182 1975 1 4 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.983 -1.747 18182 1976 1 4 . 1 1 10 10 TYR H H 668 8.495 8.495 7.966 0.529 18182 1977 1 4 . 1 1 11 11 THR N N 669 108.617 108.617 110.965 -2.348 18182 1978 1 4 . 1 1 11 11 THR HA H 669 4.148 4.148 3.404 0.744 18182 1979 1 4 . 1 1 11 11 THR C C 669 175.184 175.184 175.344 -0.160 18182 1980 1 4 . 1 1 11 11 THR CA C 669 65.022 65.022 64.462 0.561 18182 1981 1 4 . 1 1 11 11 THR CB C 669 69.280 69.280 68.248 1.032 18182 1982 1 4 . 1 1 11 11 THR H H 669 8.011 8.011 7.616 0.395 18182 1983 1 4 . 1 1 12 12 ALA N N 670 121.275 121.275 122.834 -1.559 18182 1984 1 4 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.047 0.029 18182 1985 1 4 . 1 1 12 12 ALA C C 670 177.815 177.815 178.117 -0.302 18182 1986 1 4 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.925 -0.369 18182 1987 1 4 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.777 0.097 18182 1988 1 4 . 1 1 12 12 ALA H H 670 7.411 7.411 7.234 0.177 18182 1989 1 4 . 1 1 13 13 TYR N N 671 117.883 117.883 118.085 -0.202 18182 1990 1 4 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.135 0.166 18182 1991 1 4 . 1 1 13 13 TYR C C 671 176.698 176.698 174.429 2.269 18182 1992 1 4 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.998 -0.012 18182 1993 1 4 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.459 -0.645 18182 1994 1 4 . 1 1 13 13 TYR H H 671 7.538 7.538 7.319 0.219 18182 1995 1 4 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.185 0.171 18182 1996 1 4 . 1 1 14 14 PRO C C 672 173.452 173.452 177.107 -3.655 18182 1997 1 4 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.348 -0.025 18182 1998 1 4 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.393 -1.170 18182 1999 1 4 . 1 1 15 15 TRP N N 673 110.044 110.044 115.179 -5.135 18182 2000 1 4 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.631 0.161 18182 2001 1 4 . 1 1 15 15 TRP C C 673 175.577 175.577 175.627 -0.050 18182 2002 1 4 . 1 1 15 15 TRP CA C 673 53.157 53.157 56.215 -3.058 18182 2003 1 4 . 1 1 15 15 TRP CB C 673 32.373 32.373 29.179 3.194 18182 2004 1 4 . 1 1 15 15 TRP H H 673 6.229 6.229 7.262 -1.033 18182 2005 1 4 . 1 1 16 16 PHE N N 674 123.205 123.205 122.644 0.561 18182 2006 1 4 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.769 0.402 18182 2007 1 4 . 1 1 16 16 PHE C C 674 174.832 174.832 173.781 1.051 18182 2008 1 4 . 1 1 16 16 PHE CA C 674 59.872 59.872 58.157 1.715 18182 2009 1 4 . 1 1 16 16 PHE CB C 674 40.208 40.208 39.498 0.710 18182 2010 1 4 . 1 1 16 16 PHE H H 674 7.625 7.625 7.195 0.430 18182 2011 1 4 . 1 1 17 17 ALA N N 675 130.669 130.669 128.903 1.766 18182 2012 1 4 . 1 1 17 17 ALA HA H 675 4.948 4.948 5.149 -0.201 18182 2013 1 4 . 1 1 17 17 ALA C C 675 177.266 177.266 176.662 0.604 18182 2014 1 4 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.215 1.053 18182 2015 1 4 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.265 0.163 18182 2016 1 4 . 1 1 17 17 ALA H H 675 9.097 9.097 8.471 0.626 18182 2017 1 4 . 1 1 18 18 GLY C C 676 174.230 174.230 173.888 0.342 18182 2018 1 4 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.892 2.038 18182 2019 1 4 . 1 1 19 19 ASN N N 677 124.910 124.910 120.844 4.066 18182 2020 1 4 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.938 -0.044 18182 2021 1 4 . 1 1 19 19 ASN C C 677 174.597 174.597 174.714 -0.117 18182 2022 1 4 . 1 1 19 19 ASN CA C 677 52.942 52.942 52.907 0.035 18182 2023 1 4 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.669 -0.710 18182 2024 1 4 . 1 1 19 19 ASN H H 677 8.682 8.682 8.521 0.161 18182 2025 1 4 . 1 1 20 20 MET N N 678 122.347 122.347 123.762 -1.415 18182 2026 1 4 . 1 1 20 20 MET HA H 678 4.115 4.115 4.568 -0.453 18182 2027 1 4 . 1 1 20 20 MET C C 678 175.451 175.451 175.767 -0.316 18182 2028 1 4 . 1 1 20 20 MET CA C 678 56.675 56.675 55.741 0.934 18182 2029 1 4 . 1 1 20 20 MET CB C 678 35.208 35.208 34.286 0.922 18182 2030 1 4 . 1 1 20 20 MET H H 678 7.006 7.006 7.716 -0.710 18182 2031 1 4 . 1 1 21 21 GLU N N 679 124.989 124.989 123.422 1.567 18182 2032 1 4 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.337 -0.046 18182 2033 1 4 . 1 1 21 21 GLU C C 679 178.232 178.232 177.581 0.651 18182 2034 1 4 . 1 1 21 21 GLU CA C 679 56.127 56.127 56.431 -0.304 18182 2035 1 4 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.648 0.283 18182 2036 1 4 . 1 1 21 21 GLU H H 679 8.761 8.761 8.705 0.056 18182 2037 1 4 . 1 1 22 22 ARG N N 680 125.521 125.521 122.221 3.300 18182 2038 1 4 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.931 -0.595 18182 2039 1 4 . 1 1 22 22 ARG C C 680 177.707 177.707 178.182 -0.475 18182 2040 1 4 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.897 0.147 18182 2041 1 4 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.899 0.158 18182 2042 1 4 . 1 1 22 22 ARG H H 680 9.406 9.406 8.749 0.657 18182 2043 1 4 . 1 1 23 23 GLN N N 681 117.320 117.320 118.241 -0.921 18182 2044 1 4 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.103 -0.038 18182 2045 1 4 . 1 1 23 23 GLN C C 681 178.317 178.317 178.211 0.106 18182 2046 1 4 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.753 0.998 18182 2047 1 4 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.852 -0.068 18182 2048 1 4 . 1 1 23 23 GLN H H 681 9.048 9.048 8.653 0.395 18182 2049 1 4 . 1 1 24 24 GLN N N 682 117.909 117.909 119.809 -1.900 18182 2050 1 4 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.178 -0.057 18182 2051 1 4 . 1 1 24 24 GLN C C 682 178.190 178.190 178.533 -0.343 18182 2052 1 4 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.005 -0.263 18182 2053 1 4 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.598 -0.283 18182 2054 1 4 . 1 1 24 24 GLN H H 682 7.182 7.182 8.332 -1.150 18182 2055 1 4 . 1 1 25 25 THR N N 683 117.007 117.007 116.174 0.833 18182 2056 1 4 . 1 1 25 25 THR HA H 683 3.681 3.681 3.963 -0.282 18182 2057 1 4 . 1 1 25 25 THR C C 683 175.786 175.786 176.623 -0.837 18182 2058 1 4 . 1 1 25 25 THR CA C 683 67.702 67.702 67.732 -0.030 18182 2059 1 4 . 1 1 25 25 THR CB C 683 68.000 68.000 68.307 -0.307 18182 2060 1 4 . 1 1 25 25 THR H H 683 7.903 7.903 8.384 -0.481 18182 2061 1 4 . 1 1 26 26 ASP N N 684 122.824 122.824 120.924 1.900 18182 2062 1 4 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.494 -0.214 18182 2063 1 4 . 1 1 26 26 ASP C C 684 178.269 178.269 178.489 -0.220 18182 2064 1 4 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.226 0.910 18182 2065 1 4 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.755 -0.577 18182 2066 1 4 . 1 1 26 26 ASP H H 684 8.430 8.430 8.176 0.254 18182 2067 1 4 . 1 1 27 27 ASN N N 685 115.634 115.634 118.524 -2.890 18182 2068 1 4 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.533 -0.174 18182 2069 1 4 . 1 1 27 27 ASN C C 685 177.065 177.065 178.089 -1.024 18182 2070 1 4 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.604 0.307 18182 2071 1 4 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.795 -0.289 18182 2072 1 4 . 1 1 27 27 ASN H H 685 7.647 7.647 7.708 -0.061 18182 2073 1 4 . 1 1 28 28 LEU N N 686 120.594 120.594 121.928 -1.334 18182 2074 1 4 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.104 0.125 18182 2075 1 4 . 1 1 28 28 LEU C C 686 179.502 179.502 178.632 0.870 18182 2076 1 4 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.383 -0.403 18182 2077 1 4 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.354 0.749 18182 2078 1 4 . 1 1 28 28 LEU H H 686 8.093 8.093 8.456 -0.363 18182 2079 1 4 . 1 1 29 29 LEU N N 687 115.149 115.149 115.413 -0.264 18182 2080 1 4 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.382 -0.300 18182 2081 1 4 . 1 1 29 29 LEU C C 687 178.910 178.910 178.272 0.638 18182 2082 1 4 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.244 0.673 18182 2083 1 4 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.743 1.155 18182 2084 1 4 . 1 1 29 29 LEU H H 687 8.386 8.386 7.835 0.551 18182 2085 1 4 . 1 1 30 30 LYS N N 688 118.086 118.086 117.416 0.670 18182 2086 1 4 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.053 -0.315 18182 2087 1 4 . 1 1 30 30 LYS C C 688 177.312 177.312 178.574 -1.262 18182 2088 1 4 . 1 1 30 30 LYS CA C 688 60.509 60.509 58.895 1.614 18182 2089 1 4 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.599 -0.509 18182 2090 1 4 . 1 1 30 30 LYS H H 688 7.752 7.752 7.748 0.004 18182 2091 1 4 . 1 1 31 31 SER N N 689 111.134 111.134 112.371 -1.237 18182 2092 1 4 . 1 1 31 31 SER HA H 689 4.460 4.460 4.405 0.055 18182 2093 1 4 . 1 1 31 31 SER C C 689 174.501 174.501 174.889 -0.388 18182 2094 1 4 . 1 1 31 31 SER CA C 689 58.559 58.559 59.442 -0.883 18182 2095 1 4 . 1 1 31 31 SER CB C 689 63.528 63.528 63.870 -0.342 18182 2096 1 4 . 1 1 31 31 SER H H 689 7.629 7.629 7.606 0.023 18182 2097 1 4 . 1 1 32 32 HIS N N 690 120.218 120.218 120.866 -0.648 18182 2098 1 4 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.412 0.244 18182 2099 1 4 . 1 1 32 32 HIS C C 690 173.855 173.855 174.951 -1.096 18182 2100 1 4 . 1 1 32 32 HIS CA C 690 56.219 56.219 57.136 -0.916 18182 2101 1 4 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.362 1.562 18182 2102 1 4 . 1 1 32 32 HIS H H 690 7.701 7.701 7.275 0.426 18182 2103 1 4 . 1 1 33 33 ALA N N 691 120.317 120.317 123.059 -2.742 18182 2104 1 4 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.398 -0.067 18182 2105 1 4 . 1 1 33 33 ALA C C 691 179.494 179.494 178.087 1.407 18182 2106 1 4 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.990 -0.140 18182 2107 1 4 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.218 -0.173 18182 2108 1 4 . 1 1 33 33 ALA H H 691 8.453 8.453 8.416 0.037 18182 2109 1 4 . 1 1 34 34 SER N N 692 117.274 117.274 114.874 2.400 18182 2110 1 4 . 1 1 34 34 SER HA H 692 4.089 4.089 4.549 -0.460 18182 2111 1 4 . 1 1 34 34 SER C C 692 175.336 175.336 174.466 0.870 18182 2112 1 4 . 1 1 34 34 SER CA C 692 60.531 60.531 59.445 1.086 18182 2113 1 4 . 1 1 34 34 SER CB C 692 63.308 63.308 63.134 0.174 18182 2114 1 4 . 1 1 34 34 SER H H 692 8.997 8.997 8.642 0.355 18182 2115 1 4 . 1 1 35 35 GLY N N 693 113.573 113.573 109.630 3.943 18182 2116 1 4 . 1 1 35 35 GLY C C 693 174.808 174.808 173.066 1.742 18182 2117 1 4 . 1 1 35 35 GLY CA C 693 44.859 44.859 44.891 -0.032 18182 2118 1 4 . 1 1 35 35 GLY H H 693 9.926 9.926 8.363 1.563 18182 2119 1 4 . 1 1 36 36 THR N N 694 121.076 121.076 119.533 1.543 18182 2120 1 4 . 1 1 36 36 THR HA H 694 5.962 5.962 5.677 0.285 18182 2121 1 4 . 1 1 36 36 THR C C 694 173.297 173.297 173.497 -0.200 18182 2122 1 4 . 1 1 36 36 THR CA C 694 63.612 63.612 61.120 2.491 18182 2123 1 4 . 1 1 36 36 THR CB C 694 68.317 68.317 69.693 -1.376 18182 2124 1 4 . 1 1 36 36 THR H H 694 8.291 8.291 7.576 0.715 18182 2125 1 4 . 1 1 37 37 TYR N N 695 123.616 123.616 124.065 -0.449 18182 2126 1 4 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.552 0.489 18182 2127 1 4 . 1 1 37 37 TYR C C 695 171.831 171.831 173.125 -1.294 18182 2128 1 4 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.989 0.316 18182 2129 1 4 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.779 2.580 18182 2130 1 4 . 1 1 37 37 TYR H H 695 8.805 8.805 9.000 -0.195 18182 2131 1 4 . 1 1 38 38 LEU N N 696 115.449 115.449 114.926 0.523 18182 2132 1 4 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.316 -0.157 18182 2133 1 4 . 1 1 38 38 LEU C C 696 174.331 174.331 174.661 -0.330 18182 2134 1 4 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.717 -0.860 18182 2135 1 4 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.053 0.840 18182 2136 1 4 . 1 1 38 38 LEU H H 696 9.105 9.105 8.592 0.513 18182 2137 1 4 . 1 1 39 39 ILE N N 697 121.911 121.911 120.093 1.818 18182 2138 1 4 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.880 0.539 18182 2139 1 4 . 1 1 39 39 ILE C C 697 173.476 173.476 174.512 -1.036 18182 2140 1 4 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.240 -0.315 18182 2141 1 4 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.502 -1.573 18182 2142 1 4 . 1 1 39 39 ILE H H 697 9.313 9.313 8.505 0.808 18182 2143 1 4 . 1 1 40 40 ARG N N 698 122.878 122.878 126.223 -3.345 18182 2144 1 4 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.262 0.030 18182 2145 1 4 . 1 1 40 40 ARG C C 698 174.308 174.308 174.503 -0.195 18182 2146 1 4 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.444 -1.700 18182 2147 1 4 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.587 -0.070 18182 2148 1 4 . 1 1 40 40 ARG H H 698 9.185 9.185 9.013 0.172 18182 2149 1 4 . 1 1 41 41 GLU N N 699 122.405 122.405 121.526 0.879 18182 2150 1 4 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.455 0.443 18182 2151 1 4 . 1 1 41 41 GLU C C 699 176.242 176.242 174.921 1.321 18182 2152 1 4 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.115 0.411 18182 2153 1 4 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.054 0.079 18182 2154 1 4 . 1 1 41 41 GLU H H 699 8.634 8.634 8.404 0.230 18182 2155 1 4 . 1 1 42 42 ARG N N 700 125.045 125.045 125.588 -0.543 18182 2156 1 4 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.701 -0.007 18182 2157 1 4 . 1 1 42 42 ARG CB C 700 31.573 31.573 33.263 -1.690 18182 2158 1 4 . 1 1 42 42 ARG H H 700 8.639 8.639 7.765 0.874 18182 2159 1 4 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.462 -0.048 18182 2160 1 4 . 1 1 43 43 PRO CA C 701 63.411 63.411 62.840 0.571 18182 2161 1 4 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.040 -0.542 18182 2162 1 4 . 1 1 44 44 ALA N N 702 122.925 122.925 129.022 -6.097 18182 2163 1 4 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.448 -0.126 18182 2164 1 4 . 1 1 44 44 ALA C C 702 176.610 176.610 177.813 -1.203 18182 2165 1 4 . 1 1 44 44 ALA CA C 702 51.802 51.802 50.753 1.049 18182 2166 1 4 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.923 -0.532 18182 2167 1 4 . 1 1 44 44 ALA H H 702 7.888 7.888 7.608 0.280 18182 2168 1 4 . 1 1 45 45 GLU N N 703 118.799 118.799 119.558 -0.759 18182 2169 1 4 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.134 0.103 18182 2170 1 4 . 1 1 45 45 GLU C C 703 176.717 176.717 178.789 -2.072 18182 2171 1 4 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.608 -1.707 18182 2172 1 4 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.750 0.336 18182 2173 1 4 . 1 1 45 45 GLU H H 703 7.947 7.947 8.761 -0.814 18182 2174 1 4 . 1 1 46 46 ALA N N 704 120.631 120.631 121.856 -1.225 18182 2175 1 4 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.363 0.052 18182 2176 1 4 . 1 1 46 46 ALA C C 704 178.411 178.411 178.467 -0.056 18182 2177 1 4 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.601 0.607 18182 2178 1 4 . 1 1 46 46 ALA CB C 704 19.243 19.243 18.947 0.296 18182 2179 1 4 . 1 1 46 46 ALA H H 704 8.643 8.643 8.066 0.577 18182 2180 1 4 . 1 1 47 47 GLU N N 705 119.341 119.341 117.999 1.342 18182 2181 1 4 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.777 0.079 18182 2182 1 4 . 1 1 47 47 GLU C C 705 176.013 176.013 176.244 -0.231 18182 2183 1 4 . 1 1 47 47 GLU CA C 705 54.858 54.858 56.328 -1.470 18182 2184 1 4 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.761 -3.926 18182 2185 1 4 . 1 1 47 47 GLU H H 705 7.635 7.635 8.194 -0.559 18182 2186 1 4 . 1 1 48 48 ARG N N 706 120.355 120.355 119.259 1.096 18182 2187 1 4 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.484 -0.519 18182 2188 1 4 . 1 1 48 48 ARG C C 706 175.117 175.117 175.721 -0.604 18182 2189 1 4 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.579 1.576 18182 2190 1 4 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.413 -1.722 18182 2191 1 4 . 1 1 48 48 ARG H H 706 7.971 7.971 8.148 -0.177 18182 2192 1 4 . 1 1 49 49 PHE N N 707 112.251 112.251 117.131 -4.880 18182 2193 1 4 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.687 1.218 18182 2194 1 4 . 1 1 49 49 PHE C C 707 173.875 173.875 173.511 0.364 18182 2195 1 4 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.666 -1.857 18182 2196 1 4 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.735 -0.660 18182 2197 1 4 . 1 1 49 49 PHE H H 707 7.857 7.857 7.387 0.470 18182 2198 1 4 . 1 1 50 50 ALA N N 708 118.730 118.730 121.420 -2.690 18182 2199 1 4 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.104 0.350 18182 2200 1 4 . 1 1 50 50 ALA C C 708 176.479 176.479 175.011 1.468 18182 2201 1 4 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.943 -0.101 18182 2202 1 4 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.374 -0.656 18182 2203 1 4 . 1 1 50 50 ALA H H 708 9.205 9.205 8.938 0.267 18182 2204 1 4 . 1 1 51 51 ILE N N 709 120.037 120.037 121.863 -1.826 18182 2205 1 4 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.758 -0.012 18182 2206 1 4 . 1 1 51 51 ILE C C 709 175.120 175.120 175.000 0.120 18182 2207 1 4 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.135 0.588 18182 2208 1 4 . 1 1 51 51 ILE CB C 709 40.300 40.300 41.409 -1.109 18182 2209 1 4 . 1 1 51 51 ILE H H 709 9.262 9.262 8.900 0.362 18182 2210 1 4 . 1 1 52 52 SER N N 710 125.087 125.087 120.559 4.528 18182 2211 1 4 . 1 1 52 52 SER HA H 710 5.468 5.468 5.383 0.085 18182 2212 1 4 . 1 1 52 52 SER C C 710 172.060 172.060 172.697 -0.637 18182 2213 1 4 . 1 1 52 52 SER CA C 710 57.761 57.761 57.451 0.310 18182 2214 1 4 . 1 1 52 52 SER CB C 710 65.210 65.210 65.794 -0.584 18182 2215 1 4 . 1 1 52 52 SER H H 710 9.205 9.205 9.089 0.116 18182 2216 1 4 . 1 1 53 53 ILE N N 711 121.753 121.753 123.770 -2.017 18182 2217 1 4 . 1 1 53 53 ILE HA H 711 5.195 5.195 4.936 0.259 18182 2218 1 4 . 1 1 53 53 ILE C C 711 173.070 173.070 173.018 0.052 18182 2219 1 4 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.271 -1.516 18182 2220 1 4 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.940 0.417 18182 2221 1 4 . 1 1 53 53 ILE H H 711 8.989 8.989 8.490 0.499 18182 2222 1 4 . 1 1 54 54 LYS N N 712 128.758 128.758 127.952 0.806 18182 2223 1 4 . 1 1 54 54 LYS HA H 712 4.787 4.787 4.911 -0.124 18182 2224 1 4 . 1 1 54 54 LYS C C 712 174.899 174.899 175.373 -0.474 18182 2225 1 4 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.133 -0.766 18182 2226 1 4 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.490 -0.132 18182 2227 1 4 . 1 1 54 54 LYS H H 712 8.894 8.894 8.175 0.719 18182 2228 1 4 . 1 1 55 55 PHE N N 713 130.369 130.369 128.034 2.335 18182 2229 1 4 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.791 0.156 18182 2230 1 4 . 1 1 55 55 PHE C C 713 174.238 174.238 174.589 -0.351 18182 2231 1 4 . 1 1 55 55 PHE CA C 713 58.165 58.165 56.743 1.422 18182 2232 1 4 . 1 1 55 55 PHE CB C 713 41.804 41.804 41.884 -0.080 18182 2233 1 4 . 1 1 55 55 PHE H H 713 9.464 9.464 8.944 0.520 18182 2234 1 4 . 1 1 56 56 ASN N N 714 125.719 125.719 126.271 -0.552 18182 2235 1 4 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.226 -0.285 18182 2236 1 4 . 1 1 56 56 ASN C C 714 174.003 174.003 174.448 -0.445 18182 2237 1 4 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.706 1.524 18182 2238 1 4 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.512 -1.372 18182 2239 1 4 . 1 1 56 56 ASN H H 714 8.411 8.411 8.751 -0.340 18182 2240 1 4 . 1 1 57 57 ASP N N 715 117.904 117.904 114.572 3.332 18182 2241 1 4 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.262 0.359 18182 2242 1 4 . 1 1 57 57 ASP C C 715 174.858 174.858 174.143 0.715 18182 2243 1 4 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.003 -0.821 18182 2244 1 4 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.551 0.335 18182 2245 1 4 . 1 1 57 57 ASP H H 715 8.542 8.542 8.340 0.202 18182 2246 1 4 . 1 1 58 58 GLU N N 716 118.707 118.707 117.116 1.591 18182 2247 1 4 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.602 0.108 18182 2248 1 4 . 1 1 58 58 GLU C C 716 173.755 173.755 175.100 -1.345 18182 2249 1 4 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.287 -0.240 18182 2250 1 4 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.634 0.652 18182 2251 1 4 . 1 1 58 58 GLU H H 716 7.889 7.889 7.388 0.501 18182 2252 1 4 . 1 1 59 59 VAL N N 717 120.720 120.720 126.443 -5.723 18182 2253 1 4 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.255 0.175 18182 2254 1 4 . 1 1 59 59 VAL C C 717 175.071 175.071 175.782 -0.711 18182 2255 1 4 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.276 -0.137 18182 2256 1 4 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.583 0.488 18182 2257 1 4 . 1 1 59 59 VAL H H 717 8.536 8.536 8.638 -0.102 18182 2258 1 4 . 1 1 60 60 LYS N N 718 126.403 126.403 126.706 -0.303 18182 2259 1 4 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.584 -0.029 18182 2260 1 4 . 1 1 60 60 LYS C C 718 174.578 174.578 175.053 -0.475 18182 2261 1 4 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.889 -0.772 18182 2262 1 4 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.197 0.709 18182 2263 1 4 . 1 1 60 60 LYS H H 718 8.879 8.879 8.103 0.776 18182 2264 1 4 . 1 1 61 61 HIS N N 719 118.939 118.939 119.424 -0.485 18182 2265 1 4 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.399 0.111 18182 2266 1 4 . 1 1 61 61 HIS C C 719 174.482 174.482 175.194 -0.712 18182 2267 1 4 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.213 0.205 18182 2268 1 4 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.532 2.717 18182 2269 1 4 . 1 1 61 61 HIS H H 719 8.846 8.846 8.457 0.389 18182 2270 1 4 . 1 1 62 62 ILE N N 720 124.690 124.690 124.638 0.052 18182 2271 1 4 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.270 0.238 18182 2272 1 4 . 1 1 62 62 ILE C C 720 176.221 176.221 175.001 1.220 18182 2273 1 4 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.119 0.164 18182 2274 1 4 . 1 1 62 62 ILE CB C 720 43.022 43.022 38.948 4.074 18182 2275 1 4 . 1 1 62 62 ILE H H 720 9.704 9.704 9.238 0.466 18182 2276 1 4 . 1 1 63 63 LYS N N 721 126.432 126.432 128.151 -1.719 18182 2277 1 4 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.370 -0.235 18182 2278 1 4 . 1 1 63 63 LYS C C 721 174.783 174.783 175.270 -0.487 18182 2279 1 4 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.146 2.332 18182 2280 1 4 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.932 0.921 18182 2281 1 4 . 1 1 63 63 LYS H H 721 9.100 9.100 8.618 0.482 18182 2282 1 4 . 1 1 64 64 VAL N N 722 123.306 123.306 121.638 1.668 18182 2283 1 4 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.182 0.076 18182 2284 1 4 . 1 1 64 64 VAL C C 722 174.284 174.284 174.472 -0.188 18182 2285 1 4 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.410 -0.117 18182 2286 1 4 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.850 -1.304 18182 2287 1 4 . 1 1 64 64 VAL H H 722 8.441 8.441 8.551 -0.110 18182 2288 1 4 . 1 1 65 65 VAL N N 723 126.508 126.508 125.941 0.567 18182 2289 1 4 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.225 0.057 18182 2290 1 4 . 1 1 65 65 VAL C C 723 174.127 174.127 173.834 0.293 18182 2291 1 4 . 1 1 65 65 VAL CA C 723 61.600 61.600 61.120 0.480 18182 2292 1 4 . 1 1 65 65 VAL CB C 723 33.717 33.717 34.076 -0.359 18182 2293 1 4 . 1 1 65 65 VAL H H 723 8.462 8.462 8.928 -0.466 18182 2294 1 4 . 1 1 66 66 GLU N N 724 126.016 126.016 128.452 -2.436 18182 2295 1 4 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.786 0.440 18182 2296 1 4 . 1 1 66 66 GLU C C 724 175.409 175.409 175.057 0.352 18182 2297 1 4 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.595 0.156 18182 2298 1 4 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.883 0.575 18182 2299 1 4 . 1 1 66 66 GLU H H 724 8.619 8.619 8.642 -0.023 18182 2300 1 4 . 1 1 67 67 LYS N N 725 125.813 125.813 126.361 -0.548 18182 2301 1 4 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.512 -0.015 18182 2302 1 4 . 1 1 67 67 LYS C C 725 175.635 175.635 175.919 -0.284 18182 2303 1 4 . 1 1 67 67 LYS CA C 725 56.423 56.423 54.130 2.293 18182 2304 1 4 . 1 1 67 67 LYS CB C 725 35.298 35.298 34.410 0.888 18182 2305 1 4 . 1 1 67 67 LYS H H 725 8.740 8.740 7.547 1.193 18182 2306 1 4 . 1 1 68 68 ASP N N 726 126.958 126.958 121.482 5.476 18182 2307 1 4 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.253 -0.022 18182 2308 1 4 . 1 1 68 68 ASP C C 726 174.341 174.341 176.494 -2.153 18182 2309 1 4 . 1 1 68 68 ASP CA C 726 56.253 56.253 56.959 -0.706 18182 2310 1 4 . 1 1 68 68 ASP CB C 726 39.499 39.499 40.430 -0.931 18182 2311 1 4 . 1 1 68 68 ASP H H 726 9.499 9.499 8.831 0.668 18182 2312 1 4 . 1 1 69 69 ASN N N 727 110.214 110.214 118.835 -8.621 18182 2313 1 4 . 1 1 69 69 ASN HA H 727 4.265 4.265 5.047 -0.782 18182 2314 1 4 . 1 1 69 69 ASN C C 727 173.779 173.779 173.533 0.246 18182 2315 1 4 . 1 1 69 69 ASN CA C 727 54.689 54.689 53.370 1.319 18182 2316 1 4 . 1 1 69 69 ASN CB C 727 37.488 37.488 40.230 -2.741 18182 2317 1 4 . 1 1 69 69 ASN H H 727 8.348 8.348 8.582 -0.234 18182 2318 1 4 . 1 1 70 70 TRP N N 728 119.007 119.007 118.060 0.947 18182 2319 1 4 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.544 -0.154 18182 2320 1 4 . 1 1 70 70 TRP C C 728 174.779 174.779 173.945 0.834 18182 2321 1 4 . 1 1 70 70 TRP CA C 728 56.826 56.826 54.571 2.255 18182 2322 1 4 . 1 1 70 70 TRP CB C 728 33.555 33.555 29.892 3.663 18182 2323 1 4 . 1 1 70 70 TRP H H 728 8.063 8.063 8.127 -0.064 18182 2324 1 4 . 1 1 71 71 ILE N N 729 122.016 122.016 124.295 -2.279 18182 2325 1 4 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.660 0.941 18182 2326 1 4 . 1 1 71 71 ILE C C 729 175.184 175.184 174.381 0.803 18182 2327 1 4 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.880 -1.026 18182 2328 1 4 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.070 1.526 18182 2329 1 4 . 1 1 71 71 ILE H H 729 9.378 9.378 8.705 0.673 18182 2330 1 4 . 1 1 72 72 HIS N N 730 121.306 121.306 123.230 -1.924 18182 2331 1 4 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.197 0.021 18182 2332 1 4 . 1 1 72 72 HIS C C 730 173.714 173.714 174.438 -0.724 18182 2333 1 4 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.685 0.957 18182 2334 1 4 . 1 1 72 72 HIS CB C 730 32.505 32.505 32.154 0.352 18182 2335 1 4 . 1 1 72 72 HIS H H 730 9.048 9.048 8.617 0.431 18182 2336 1 4 . 1 1 73 73 ILE N N 731 112.643 112.643 115.393 -2.750 18182 2337 1 4 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.570 0.367 18182 2338 1 4 . 1 1 73 73 ILE C C 731 175.442 175.442 175.572 -0.130 18182 2339 1 4 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.162 0.516 18182 2340 1 4 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.361 0.045 18182 2341 1 4 . 1 1 73 73 ILE H H 731 9.499 9.499 8.678 0.821 18182 2342 1 4 . 1 1 74 74 THR N N 732 115.752 115.752 112.135 3.617 18182 2343 1 4 . 1 1 74 74 THR HA H 732 4.812 4.812 4.522 0.290 18182 2344 1 4 . 1 1 74 74 THR C C 732 173.575 173.575 174.554 -0.979 18182 2345 1 4 . 1 1 74 74 THR CA C 732 58.650 58.650 60.441 -1.791 18182 2346 1 4 . 1 1 74 74 THR CB C 732 70.177 70.177 71.128 -0.951 18182 2347 1 4 . 1 1 74 74 THR H H 732 8.364 8.364 7.914 0.450 18182 2348 1 4 . 1 1 75 75 GLU N N 733 124.910 124.910 119.284 5.626 18182 2349 1 4 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.755 -1.782 18182 2350 1 4 . 1 1 75 75 GLU C C 733 175.609 175.609 175.168 0.441 18182 2351 1 4 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.672 1.990 18182 2352 1 4 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.048 -0.085 18182 2353 1 4 . 1 1 75 75 GLU H H 733 8.754 8.754 8.850 -0.096 18182 2354 1 4 . 1 1 76 76 ALA N N 734 117.847 117.847 121.571 -3.724 18182 2355 1 4 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.401 -0.461 18182 2356 1 4 . 1 1 76 76 ALA C C 734 177.033 177.033 177.070 -0.037 18182 2357 1 4 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.819 0.355 18182 2358 1 4 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.246 -0.753 18182 2359 1 4 . 1 1 76 76 ALA H H 734 7.538 7.538 8.131 -0.593 18182 2360 1 4 . 1 1 77 77 LYS N N 735 119.518 119.518 120.606 -1.088 18182 2361 1 4 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.341 -0.230 18182 2362 1 4 . 1 1 77 77 LYS C C 735 171.953 171.953 174.840 -2.887 18182 2363 1 4 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.841 -1.142 18182 2364 1 4 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.420 -0.135 18182 2365 1 4 . 1 1 77 77 LYS H H 735 7.326 7.326 8.363 -1.037 18182 2366 1 4 . 1 1 78 78 LYS N N 736 123.200 123.200 118.643 4.557 18182 2367 1 4 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.620 0.111 18182 2368 1 4 . 1 1 78 78 LYS C C 736 175.123 175.123 174.963 0.160 18182 2369 1 4 . 1 1 78 78 LYS CA C 736 55.110 55.110 55.104 0.006 18182 2370 1 4 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.306 0.664 18182 2371 1 4 . 1 1 78 78 LYS H H 736 7.893 7.893 7.869 0.024 18182 2372 1 4 . 1 1 79 79 PHE N N 737 117.916 117.916 120.945 -3.029 18182 2373 1 4 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.673 0.321 18182 2374 1 4 . 1 1 79 79 PHE C C 737 175.595 175.595 175.461 0.134 18182 2375 1 4 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.342 -0.401 18182 2376 1 4 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.205 1.208 18182 2377 1 4 . 1 1 79 79 PHE H H 737 9.121 9.121 9.012 0.109 18182 2378 1 4 . 1 1 80 80 ASP N N 738 119.341 119.341 120.393 -1.052 18182 2379 1 4 . 1 1 80 80 ASP HA H 738 4.749 4.749 4.718 0.031 18182 2380 1 4 . 1 1 80 80 ASP C C 738 176.035 176.035 175.522 0.513 18182 2381 1 4 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.233 0.479 18182 2382 1 4 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.898 -0.189 18182 2383 1 4 . 1 1 80 80 ASP H H 738 9.377 9.377 9.059 0.318 18182 2384 1 4 . 1 1 81 81 SER N N 739 108.518 108.518 106.770 1.748 18182 2385 1 4 . 1 1 81 81 SER HA H 739 4.694 4.694 4.496 0.198 18182 2386 1 4 . 1 1 81 81 SER C C 739 173.791 173.791 173.575 0.216 18182 2387 1 4 . 1 1 81 81 SER CA C 739 57.049 57.049 57.710 -0.661 18182 2388 1 4 . 1 1 81 81 SER CB C 739 66.839 66.839 64.987 1.852 18182 2389 1 4 . 1 1 81 81 SER H H 739 7.447 7.447 7.364 0.083 18182 2390 1 4 . 1 1 82 82 LEU N N 740 122.626 122.626 123.041 -0.415 18182 2391 1 4 . 1 1 82 82 LEU HA H 740 3.811 3.811 3.972 -0.161 18182 2392 1 4 . 1 1 82 82 LEU C C 740 177.172 177.172 177.833 -0.661 18182 2393 1 4 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.431 -0.962 18182 2394 1 4 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.833 -1.014 18182 2395 1 4 . 1 1 82 82 LEU H H 740 8.969 8.969 8.556 0.413 18182 2396 1 4 . 1 1 83 83 LEU N N 741 116.575 116.575 118.982 -2.407 18182 2397 1 4 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.929 -0.092 18182 2398 1 4 . 1 1 83 83 LEU C C 741 177.492 177.492 178.172 -0.680 18182 2399 1 4 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.682 -0.418 18182 2400 1 4 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.800 0.129 18182 2401 1 4 . 1 1 83 83 LEU H H 741 7.770 7.770 7.613 0.157 18182 2402 1 4 . 1 1 84 84 GLU N N 742 116.865 116.865 118.659 -1.794 18182 2403 1 4 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.996 -0.078 18182 2404 1 4 . 1 1 84 84 GLU C C 742 178.252 178.252 179.064 -0.812 18182 2405 1 4 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.703 -0.312 18182 2406 1 4 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.517 0.942 18182 2407 1 4 . 1 1 84 84 GLU H H 742 7.585 7.585 8.144 -0.559 18182 2408 1 4 . 1 1 85 85 LEU N N 743 122.164 122.164 120.710 1.454 18182 2409 1 4 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.660 -0.632 18182 2410 1 4 . 1 1 85 85 LEU C C 743 177.335 177.335 178.633 -1.298 18182 2411 1 4 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.345 1.426 18182 2412 1 4 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.700 0.127 18182 2413 1 4 . 1 1 85 85 LEU H H 743 7.109 7.109 7.295 -0.186 18182 2414 1 4 . 1 1 86 86 VAL N N 744 119.760 119.760 119.117 0.643 18182 2415 1 4 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.315 -0.462 18182 2416 1 4 . 1 1 86 86 VAL C C 744 177.675 177.675 177.839 -0.164 18182 2417 1 4 . 1 1 86 86 VAL CA C 744 67.113 67.113 67.339 -0.226 18182 2418 1 4 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.317 -0.206 18182 2419 1 4 . 1 1 86 86 VAL H H 744 8.113 8.113 8.280 -0.167 18182 2420 1 4 . 1 1 87 87 GLU N N 745 116.227 116.227 120.034 -3.807 18182 2421 1 4 . 1 1 87 87 GLU HA H 745 3.762 3.762 4.107 -0.345 18182 2422 1 4 . 1 1 87 87 GLU C C 745 179.530 179.530 179.280 0.250 18182 2423 1 4 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.462 -0.024 18182 2424 1 4 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.568 -0.416 18182 2425 1 4 . 1 1 87 87 GLU H H 745 8.182 8.182 8.381 -0.199 18182 2426 1 4 . 1 1 88 88 TYR N N 746 120.102 120.102 119.933 0.169 18182 2427 1 4 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.153 -0.006 18182 2428 1 4 . 1 1 88 88 TYR C C 746 179.970 179.970 178.144 1.826 18182 2429 1 4 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.437 1.293 18182 2430 1 4 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.429 0.459 18182 2431 1 4 . 1 1 88 88 TYR H H 746 7.795 7.795 7.788 0.007 18182 2432 1 4 . 1 1 89 89 TYR N N 747 118.508 118.508 117.726 0.782 18182 2433 1 4 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.675 0.426 18182 2434 1 4 . 1 1 89 89 TYR C C 747 175.885 175.885 178.652 -2.767 18182 2435 1 4 . 1 1 89 89 TYR CA C 747 61.177 61.177 60.498 0.678 18182 2436 1 4 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.977 -0.934 18182 2437 1 4 . 1 1 89 89 TYR H H 747 7.798 7.798 7.788 0.010 18182 2438 1 4 . 1 1 90 90 GLN N N 748 118.741 118.741 118.372 0.369 18182 2439 1 4 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.866 0.554 18182 2440 1 4 . 1 1 90 90 GLN C C 748 177.767 177.767 176.834 0.933 18182 2441 1 4 . 1 1 90 90 GLN CA C 748 57.871 57.871 59.003 -1.132 18182 2442 1 4 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.713 -0.040 18182 2443 1 4 . 1 1 90 90 GLN H H 748 7.925 7.925 8.148 -0.223 18182 2444 1 4 . 1 1 91 91 CYS N N 749 111.312 111.312 114.363 -3.051 18182 2445 1 4 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.349 0.292 18182 2446 1 4 . 1 1 91 91 CYS C C 749 173.010 173.010 174.519 -1.509 18182 2447 1 4 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.355 -0.820 18182 2448 1 4 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.726 -0.547 18182 2449 1 4 . 1 1 91 91 CYS H H 749 7.178 7.178 7.350 -0.172 18182 2450 1 4 . 1 1 92 92 HIS N N 750 120.386 120.386 118.912 1.474 18182 2451 1 4 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.578 -0.210 18182 2452 1 4 . 1 1 92 92 HIS C C 750 171.815 171.815 174.304 -2.489 18182 2453 1 4 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.087 0.082 18182 2454 1 4 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.759 -1.453 18182 2455 1 4 . 1 1 92 92 HIS H H 750 7.540 7.540 7.926 -0.386 18182 2456 1 4 . 1 1 93 93 SER N N 751 113.259 113.259 116.649 -3.390 18182 2457 1 4 . 1 1 93 93 SER HA H 751 3.812 3.812 4.310 -0.498 18182 2458 1 4 . 1 1 93 93 SER C C 751 176.644 176.644 175.885 0.759 18182 2459 1 4 . 1 1 93 93 SER CA C 751 58.040 58.040 58.111 -0.071 18182 2460 1 4 . 1 1 93 93 SER CB C 751 62.954 62.954 63.776 -0.822 18182 2461 1 4 . 1 1 93 93 SER H H 751 8.397 8.397 8.744 -0.347 18182 2462 1 4 . 1 1 94 94 LEU N N 752 127.166 127.166 127.637 -0.471 18182 2463 1 4 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.349 -0.209 18182 2464 1 4 . 1 1 94 94 LEU C C 752 177.462 177.462 178.094 -0.632 18182 2465 1 4 . 1 1 94 94 LEU CA C 752 58.300 58.300 57.582 0.718 18182 2466 1 4 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.521 0.811 18182 2467 1 4 . 1 1 94 94 LEU H H 752 8.580 8.580 8.289 0.291 18182 2468 1 4 . 1 1 95 95 LYS N N 753 122.119 122.119 119.091 3.028 18182 2469 1 4 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.434 0.006 18182 2470 1 4 . 1 1 95 95 LYS C C 753 176.253 176.253 178.921 -2.668 18182 2471 1 4 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.810 -1.581 18182 2472 1 4 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.740 0.604 18182 2473 1 4 . 1 1 95 95 LYS H H 753 8.322 8.322 7.514 0.808 18182 2474 1 4 . 1 1 96 96 GLU N N 754 115.310 115.310 120.098 -4.788 18182 2475 1 4 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.102 0.035 18182 2476 1 4 . 1 1 96 96 GLU C C 754 176.704 176.704 178.461 -1.757 18182 2477 1 4 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.777 -0.288 18182 2478 1 4 . 1 1 96 96 GLU CB C 754 29.677 29.677 28.938 0.739 18182 2479 1 4 . 1 1 96 96 GLU H H 754 7.197 7.197 7.970 -0.773 18182 2480 1 4 . 1 1 97 97 SER N N 755 113.390 113.390 114.101 -0.711 18182 2481 1 4 . 1 1 97 97 SER HA H 755 4.583 4.583 4.356 0.227 18182 2482 1 4 . 1 1 97 97 SER C C 755 171.185 171.185 174.480 -3.295 18182 2483 1 4 . 1 1 97 97 SER CA C 755 59.569 59.569 60.273 -0.704 18182 2484 1 4 . 1 1 97 97 SER CB C 755 66.435 66.435 64.340 2.095 18182 2485 1 4 . 1 1 97 97 SER H H 755 7.857 7.857 7.704 0.153 18182 2486 1 4 . 1 1 98 98 PHE N N 756 121.328 121.328 121.723 -0.395 18182 2487 1 4 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.768 -0.003 18182 2488 1 4 . 1 1 98 98 PHE C C 756 175.774 175.774 175.899 -0.125 18182 2489 1 4 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.155 0.716 18182 2490 1 4 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.802 0.909 18182 2491 1 4 . 1 1 98 98 PHE H H 756 8.409 8.409 8.444 -0.035 18182 2492 1 4 . 1 1 99 99 LYS N N 757 121.656 121.656 124.877 -3.221 18182 2493 1 4 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.152 -0.039 18182 2494 1 4 . 1 1 99 99 LYS C C 757 177.188 177.188 177.214 -0.026 18182 2495 1 4 . 1 1 99 99 LYS CA C 757 59.736 59.736 58.423 1.313 18182 2496 1 4 . 1 1 99 99 LYS CB C 757 32.356 32.356 31.930 0.426 18182 2497 1 4 . 1 1 99 99 LYS H H 757 8.602 8.602 8.557 0.045 18182 2498 1 4 . 1 1 100 100 GLN N N 758 115.783 115.783 118.747 -2.964 18182 2499 1 4 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.272 0.111 18182 2500 1 4 . 1 1 100 100 GLN C C 758 175.849 175.849 176.281 -0.432 18182 2501 1 4 . 1 1 100 100 GLN CA C 758 55.832 55.832 56.893 -1.061 18182 2502 1 4 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.994 -0.677 18182 2503 1 4 . 1 1 100 100 GLN H H 758 9.139 9.139 8.234 0.905 18182 2504 1 4 . 1 1 101 101 LEU N N 759 124.876 124.876 119.973 4.903 18182 2505 1 4 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.485 -0.793 18182 2506 1 4 . 1 1 101 101 LEU C C 759 173.219 173.219 175.310 -2.091 18182 2507 1 4 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.926 -2.478 18182 2508 1 4 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.501 -1.513 18182 2509 1 4 . 1 1 101 101 LEU H H 759 7.924 7.924 7.671 0.253 18182 2510 1 4 . 1 1 102 102 ASP N N 760 119.263 119.263 117.652 1.611 18182 2511 1 4 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.676 -0.109 18182 2512 1 4 . 1 1 102 102 ASP C C 760 173.570 173.570 174.543 -0.973 18182 2513 1 4 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.480 -1.605 18182 2514 1 4 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.639 -2.610 18182 2515 1 4 . 1 1 102 102 ASP H H 760 6.564 6.564 7.716 -1.152 18182 2516 1 4 . 1 1 103 103 THR N N 761 117.311 117.311 112.071 5.240 18182 2517 1 4 . 1 1 103 103 THR HA H 761 4.701 4.701 4.442 0.259 18182 2518 1 4 . 1 1 103 103 THR C C 761 172.169 172.169 172.625 -0.456 18182 2519 1 4 . 1 1 103 103 THR CA C 761 60.491 60.491 60.346 0.145 18182 2520 1 4 . 1 1 103 103 THR CB C 761 69.358 69.358 70.002 -0.644 18182 2521 1 4 . 1 1 103 103 THR H H 761 7.699 7.699 7.253 0.446 18182 2522 1 4 . 1 1 104 104 THR N N 762 114.211 114.211 113.569 0.642 18182 2523 1 4 . 1 1 104 104 THR HA H 762 4.603 4.603 4.475 0.128 18182 2524 1 4 . 1 1 104 104 THR C C 762 175.647 175.647 173.818 1.829 18182 2525 1 4 . 1 1 104 104 THR CA C 762 60.899 60.899 59.935 0.964 18182 2526 1 4 . 1 1 104 104 THR CB C 762 70.981 70.981 71.410 -0.429 18182 2527 1 4 . 1 1 104 104 THR H H 762 7.300 7.300 8.129 -0.829 18182 2528 1 4 . 1 1 105 105 LEU N N 763 117.640 117.640 122.100 -4.460 18182 2529 1 4 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.765 -0.242 18182 2530 1 4 . 1 1 105 105 LEU C C 763 174.500 174.500 176.629 -2.129 18182 2531 1 4 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.443 -1.288 18182 2532 1 4 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.783 -4.036 18182 2533 1 4 . 1 1 105 105 LEU H H 763 8.113 8.113 8.513 -0.400 18182 2534 1 4 . 1 1 106 106 LYS N N 764 127.345 127.345 124.269 3.076 18182 2535 1 4 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.197 -0.186 18182 2536 1 4 . 1 1 106 106 LYS C C 764 176.781 176.781 176.492 0.289 18182 2537 1 4 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.999 2.889 18182 2538 1 4 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.054 1.169 18182 2539 1 4 . 1 1 106 106 LYS H H 764 7.181 7.181 8.342 -1.161 18182 2540 1 4 . 1 1 107 107 TYR N N 765 115.756 115.756 117.894 -2.138 18182 2541 1 4 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.964 0.557 18182 2542 1 4 . 1 1 107 107 TYR C C 765 172.106 172.106 172.293 -0.187 18182 2543 1 4 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.817 -3.196 18182 2544 1 4 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.106 1.412 18182 2545 1 4 . 1 1 107 107 TYR H H 765 7.877 7.877 8.273 -0.396 18182 2546 1 4 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.113 -0.440 18182 2547 1 4 . 1 1 108 108 PRO C C 766 180.696 180.696 177.270 3.426 18182 2548 1 4 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.843 0.768 18182 2549 1 4 . 1 1 109 109 TYR N N 767 122.570 122.570 116.017 6.553 18182 2550 1 4 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.177 -0.360 18182 2551 1 4 . 1 1 109 109 TYR C C 767 174.769 174.769 176.991 -2.222 18182 2552 1 4 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.558 1.625 18182 2553 1 4 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.007 -0.540 18182 2554 1 4 . 1 1 109 109 TYR H H 767 8.341 8.341 8.222 0.119 18182 2555 1 4 . 1 1 110 110 LYS N N 768 118.398 118.398 119.271 -0.873 18182 2556 1 4 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.939 0.003 18182 2557 1 4 . 1 1 110 110 LYS C C 768 176.453 176.453 177.592 -1.139 18182 2558 1 4 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.882 -0.981 18182 2559 1 4 . 1 1 110 110 LYS CB C 768 32.581 32.581 31.553 1.028 18182 2560 1 4 . 1 1 110 110 LYS H H 768 6.790 6.790 7.137 -0.347 18182 2561 1 4 . 1 1 111 111 SER N N 769 114.260 114.260 115.661 -1.401 18182 2562 1 4 . 1 1 111 111 SER HA H 769 4.384 4.384 4.199 0.185 18182 2563 1 4 . 1 1 111 111 SER C C 769 174.124 174.124 174.957 -0.833 18182 2564 1 4 . 1 1 111 111 SER CA C 769 58.802 58.802 60.012 -1.210 18182 2565 1 4 . 1 1 111 111 SER CB C 769 64.206 64.206 63.429 0.777 18182 2566 1 4 . 1 1 111 111 SER H H 769 7.769 7.769 7.971 -0.202 18182 2567 1 4 . 1 1 112 112 ARG N N 770 122.485 122.485 122.861 -0.376 18182 2568 1 4 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.229 0.149 18182 2569 1 4 . 1 1 112 112 ARG C C 770 175.139 175.139 175.812 -0.673 18182 2570 1 4 . 1 1 112 112 ARG CA C 770 55.628 55.628 56.699 -1.071 18182 2571 1 4 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.263 0.672 18182 2572 1 4 . 1 1 112 112 ARG H H 770 8.109 8.109 8.344 -0.235 18182 2573 1 5 . 1 1 2 2 ARG N N 660 123.565 123.565 121.284 2.281 18182 2574 1 5 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.417 0.213 18182 2575 1 5 . 1 1 2 2 ARG C C 660 173.529 173.529 174.742 -1.213 18182 2576 1 5 . 1 1 2 2 ARG CA C 660 53.869 53.869 57.069 -3.200 18182 2577 1 5 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.512 0.916 18182 2578 1 5 . 1 1 2 2 ARG H H 660 8.295 8.295 8.398 -0.103 18182 2579 1 5 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.572 0.100 18182 2580 1 5 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.508 -0.096 18182 2581 1 5 . 1 1 4 4 PRO C C 662 177.096 177.096 176.551 0.545 18182 2582 1 5 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.309 -0.013 18182 2583 1 5 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.205 -0.183 18182 2584 1 5 . 1 1 5 5 SER N N 663 116.025 116.025 120.609 -4.584 18182 2585 1 5 . 1 1 5 5 SER HA H 663 4.374 4.374 4.702 -0.329 18182 2586 1 5 . 1 1 5 5 SER C C 663 174.815 174.815 173.802 1.013 18182 2587 1 5 . 1 1 5 5 SER CA C 663 58.797 58.797 58.149 0.648 18182 2588 1 5 . 1 1 5 5 SER CB C 663 64.024 64.024 63.823 0.201 18182 2589 1 5 . 1 1 5 5 SER H H 663 8.406 8.406 8.502 -0.096 18182 2590 1 5 . 1 1 6 6 ARG N N 664 122.062 122.062 124.357 -2.295 18182 2591 1 5 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.676 -0.297 18182 2592 1 5 . 1 1 6 6 ARG C C 664 175.958 175.958 176.004 -0.046 18182 2593 1 5 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.697 0.439 18182 2594 1 5 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.625 -0.913 18182 2595 1 5 . 1 1 6 6 ARG H H 664 8.371 8.371 8.582 -0.211 18182 2596 1 5 . 1 1 7 7 GLU N N 665 122.160 122.160 121.355 0.805 18182 2597 1 5 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.357 -0.044 18182 2598 1 5 . 1 1 7 7 GLU C C 665 175.842 175.842 175.845 -0.003 18182 2599 1 5 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.444 -0.034 18182 2600 1 5 . 1 1 7 7 GLU CB C 665 29.972 29.972 30.369 -0.397 18182 2601 1 5 . 1 1 7 7 GLU H H 665 8.352 8.352 8.477 -0.125 18182 2602 1 5 . 1 1 8 8 ILE N N 666 123.828 123.828 121.377 2.451 18182 2603 1 5 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.400 -0.560 18182 2604 1 5 . 1 1 8 8 ILE C C 666 174.373 174.373 175.667 -1.294 18182 2605 1 5 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.702 0.225 18182 2606 1 5 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.875 -0.334 18182 2607 1 5 . 1 1 8 8 ILE H H 666 7.938 7.938 8.387 -0.449 18182 2608 1 5 . 1 1 9 9 ASP N N 667 124.338 124.338 127.813 -3.475 18182 2609 1 5 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.586 0.033 18182 2610 1 5 . 1 1 9 9 ASP C C 667 177.006 177.006 176.938 0.068 18182 2611 1 5 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.755 -1.703 18182 2612 1 5 . 1 1 9 9 ASP CB C 667 40.364 40.364 39.125 1.239 18182 2613 1 5 . 1 1 9 9 ASP H H 667 8.111 8.111 8.883 -0.772 18182 2614 1 5 . 1 1 10 10 TYR N N 668 125.199 125.199 122.726 2.473 18182 2615 1 5 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.109 0.079 18182 2616 1 5 . 1 1 10 10 TYR C C 668 175.947 175.947 176.965 -1.018 18182 2617 1 5 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.736 -0.053 18182 2618 1 5 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.456 -1.220 18182 2619 1 5 . 1 1 10 10 TYR H H 668 8.495 8.495 8.390 0.105 18182 2620 1 5 . 1 1 11 11 THR N N 669 108.617 108.617 111.289 -2.672 18182 2621 1 5 . 1 1 11 11 THR HA H 669 4.148 4.148 3.581 0.567 18182 2622 1 5 . 1 1 11 11 THR C C 669 175.184 175.184 175.545 -0.361 18182 2623 1 5 . 1 1 11 11 THR CA C 669 65.022 65.022 64.930 0.092 18182 2624 1 5 . 1 1 11 11 THR CB C 669 69.280 69.280 68.081 1.200 18182 2625 1 5 . 1 1 11 11 THR H H 669 8.011 8.011 7.693 0.318 18182 2626 1 5 . 1 1 12 12 ALA N N 670 121.275 121.275 123.109 -1.834 18182 2627 1 5 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.972 0.104 18182 2628 1 5 . 1 1 12 12 ALA C C 670 177.815 177.815 177.618 0.197 18182 2629 1 5 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.349 -0.792 18182 2630 1 5 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.809 0.065 18182 2631 1 5 . 1 1 12 12 ALA H H 670 7.411 7.411 7.374 0.037 18182 2632 1 5 . 1 1 13 13 TYR N N 671 117.883 117.883 118.433 -0.550 18182 2633 1 5 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.498 -0.197 18182 2634 1 5 . 1 1 13 13 TYR C C 671 176.698 176.698 173.925 2.773 18182 2635 1 5 . 1 1 13 13 TYR CA C 671 56.986 56.986 55.408 1.578 18182 2636 1 5 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.804 -0.989 18182 2637 1 5 . 1 1 13 13 TYR H H 671 7.538 7.538 7.449 0.089 18182 2638 1 5 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.137 0.219 18182 2639 1 5 . 1 1 14 14 PRO C C 672 173.452 173.452 175.992 -2.540 18182 2640 1 5 . 1 1 14 14 PRO CA C 672 64.323 64.323 62.690 1.633 18182 2641 1 5 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.979 -0.756 18182 2642 1 5 . 1 1 15 15 TRP N N 673 110.044 110.044 111.207 -1.163 18182 2643 1 5 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.324 0.468 18182 2644 1 5 . 1 1 15 15 TRP C C 673 175.577 175.577 174.303 1.274 18182 2645 1 5 . 1 1 15 15 TRP CA C 673 53.157 53.157 57.135 -3.978 18182 2646 1 5 . 1 1 15 15 TRP CB C 673 32.373 32.373 26.560 5.813 18182 2647 1 5 . 1 1 15 15 TRP H H 673 6.229 6.229 8.495 -2.266 18182 2648 1 5 . 1 1 16 16 PHE N N 674 123.205 123.205 121.347 1.858 18182 2649 1 5 . 1 1 16 16 PHE HA H 674 5.171 5.171 5.513 -0.342 18182 2650 1 5 . 1 1 16 16 PHE C C 674 174.832 174.832 174.357 0.475 18182 2651 1 5 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.304 3.568 18182 2652 1 5 . 1 1 16 16 PHE CB C 674 40.208 40.208 41.502 -1.294 18182 2653 1 5 . 1 1 16 16 PHE H H 674 7.625 7.625 7.741 -0.116 18182 2654 1 5 . 1 1 17 17 ALA N N 675 130.669 130.669 130.988 -0.319 18182 2655 1 5 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.995 -0.047 18182 2656 1 5 . 1 1 17 17 ALA C C 675 177.266 177.266 176.123 1.143 18182 2657 1 5 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.130 1.138 18182 2658 1 5 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.198 0.230 18182 2659 1 5 . 1 1 17 17 ALA H H 675 9.097 9.097 8.570 0.527 18182 2660 1 5 . 1 1 18 18 GLY C C 676 174.230 174.230 174.151 0.079 18182 2661 1 5 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.579 2.351 18182 2662 1 5 . 1 1 19 19 ASN N N 677 124.910 124.910 120.265 4.645 18182 2663 1 5 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.786 0.108 18182 2664 1 5 . 1 1 19 19 ASN C C 677 174.597 174.597 174.976 -0.379 18182 2665 1 5 . 1 1 19 19 ASN CA C 677 52.942 52.942 52.754 0.188 18182 2666 1 5 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.587 -0.628 18182 2667 1 5 . 1 1 19 19 ASN H H 677 8.682 8.682 8.464 0.218 18182 2668 1 5 . 1 1 20 20 MET N N 678 122.347 122.347 122.520 -0.173 18182 2669 1 5 . 1 1 20 20 MET HA H 678 4.115 4.115 4.514 -0.399 18182 2670 1 5 . 1 1 20 20 MET C C 678 175.451 175.451 176.183 -0.732 18182 2671 1 5 . 1 1 20 20 MET CA C 678 56.675 56.675 55.130 1.545 18182 2672 1 5 . 1 1 20 20 MET CB C 678 35.208 35.208 34.205 1.003 18182 2673 1 5 . 1 1 20 20 MET H H 678 7.006 7.006 7.988 -0.982 18182 2674 1 5 . 1 1 21 21 GLU N N 679 124.989 124.989 120.414 4.575 18182 2675 1 5 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.563 -0.272 18182 2676 1 5 . 1 1 21 21 GLU C C 679 178.232 178.232 177.053 1.179 18182 2677 1 5 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.491 0.636 18182 2678 1 5 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.915 0.017 18182 2679 1 5 . 1 1 21 21 GLU H H 679 8.761 8.761 8.512 0.249 18182 2680 1 5 . 1 1 22 22 ARG N N 680 125.521 125.521 124.731 0.790 18182 2681 1 5 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.980 -0.644 18182 2682 1 5 . 1 1 22 22 ARG C C 680 177.707 177.707 177.998 -0.291 18182 2683 1 5 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.965 1.079 18182 2684 1 5 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.124 -0.067 18182 2685 1 5 . 1 1 22 22 ARG H H 680 9.406 9.406 8.905 0.501 18182 2686 1 5 . 1 1 23 23 GLN N N 681 117.320 117.320 117.527 -0.207 18182 2687 1 5 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.062 0.003 18182 2688 1 5 . 1 1 23 23 GLN C C 681 178.317 178.317 178.266 0.051 18182 2689 1 5 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.803 0.948 18182 2690 1 5 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.477 0.307 18182 2691 1 5 . 1 1 23 23 GLN H H 681 9.048 9.048 8.561 0.487 18182 2692 1 5 . 1 1 24 24 GLN N N 682 117.909 117.909 119.336 -1.427 18182 2693 1 5 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.212 -0.091 18182 2694 1 5 . 1 1 24 24 GLN C C 682 178.190 178.190 178.683 -0.493 18182 2695 1 5 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.748 -0.005 18182 2696 1 5 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.314 0.001 18182 2697 1 5 . 1 1 24 24 GLN H H 682 7.182 7.182 8.252 -1.070 18182 2698 1 5 . 1 1 25 25 THR N N 683 117.007 117.007 116.406 0.601 18182 2699 1 5 . 1 1 25 25 THR HA H 683 3.681 3.681 4.003 -0.322 18182 2700 1 5 . 1 1 25 25 THR C C 683 175.786 175.786 176.804 -1.018 18182 2701 1 5 . 1 1 25 25 THR CA C 683 67.702 67.702 67.231 0.471 18182 2702 1 5 . 1 1 25 25 THR CB C 683 68.000 68.000 67.951 0.049 18182 2703 1 5 . 1 1 25 25 THR H H 683 7.903 7.903 8.296 -0.393 18182 2704 1 5 . 1 1 26 26 ASP N N 684 122.824 122.824 120.906 1.918 18182 2705 1 5 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.486 -0.206 18182 2706 1 5 . 1 1 26 26 ASP C C 684 178.269 178.269 178.351 -0.082 18182 2707 1 5 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.519 0.617 18182 2708 1 5 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.850 -0.672 18182 2709 1 5 . 1 1 26 26 ASP H H 684 8.430 8.430 8.233 0.197 18182 2710 1 5 . 1 1 27 27 ASN N N 685 115.634 115.634 118.113 -2.479 18182 2711 1 5 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.563 -0.204 18182 2712 1 5 . 1 1 27 27 ASN C C 685 177.065 177.065 177.651 -0.586 18182 2713 1 5 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.484 0.427 18182 2714 1 5 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.551 -0.045 18182 2715 1 5 . 1 1 27 27 ASN H H 685 7.647 7.647 7.614 0.033 18182 2716 1 5 . 1 1 28 28 LEU N N 686 120.594 120.594 121.519 -0.925 18182 2717 1 5 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.138 0.091 18182 2718 1 5 . 1 1 28 28 LEU C C 686 179.502 179.502 179.264 0.238 18182 2719 1 5 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.229 -0.249 18182 2720 1 5 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.344 0.759 18182 2721 1 5 . 1 1 28 28 LEU H H 686 8.093 8.093 8.521 -0.428 18182 2722 1 5 . 1 1 29 29 LEU N N 687 115.149 115.149 117.753 -2.604 18182 2723 1 5 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.270 -0.188 18182 2724 1 5 . 1 1 29 29 LEU C C 687 178.910 178.910 179.098 -0.188 18182 2725 1 5 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.770 0.147 18182 2726 1 5 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.693 1.205 18182 2727 1 5 . 1 1 29 29 LEU H H 687 8.386 8.386 8.182 0.204 18182 2728 1 5 . 1 1 30 30 LYS N N 688 118.086 118.086 120.117 -2.031 18182 2729 1 5 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.029 -0.291 18182 2730 1 5 . 1 1 30 30 LYS C C 688 177.312 177.312 177.985 -0.673 18182 2731 1 5 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.592 0.917 18182 2732 1 5 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.503 -0.413 18182 2733 1 5 . 1 1 30 30 LYS H H 688 7.752 7.752 7.797 -0.045 18182 2734 1 5 . 1 1 31 31 SER N N 689 111.134 111.134 111.351 -0.217 18182 2735 1 5 . 1 1 31 31 SER HA H 689 4.460 4.460 4.705 -0.245 18182 2736 1 5 . 1 1 31 31 SER C C 689 174.501 174.501 173.801 0.700 18182 2737 1 5 . 1 1 31 31 SER CA C 689 58.559 58.559 58.679 -0.120 18182 2738 1 5 . 1 1 31 31 SER CB C 689 63.528 63.528 62.922 0.606 18182 2739 1 5 . 1 1 31 31 SER H H 689 7.629 7.629 7.815 -0.186 18182 2740 1 5 . 1 1 32 32 HIS N N 690 120.218 120.218 119.786 0.432 18182 2741 1 5 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.693 -0.037 18182 2742 1 5 . 1 1 32 32 HIS C C 690 173.855 173.855 174.347 -0.492 18182 2743 1 5 . 1 1 32 32 HIS CA C 690 56.219 56.219 55.973 0.246 18182 2744 1 5 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.642 1.282 18182 2745 1 5 . 1 1 32 32 HIS H H 690 7.701 7.701 7.779 -0.078 18182 2746 1 5 . 1 1 33 33 ALA N N 691 120.317 120.317 121.803 -1.486 18182 2747 1 5 . 1 1 33 33 ALA HA H 691 4.331 4.331 3.998 0.333 18182 2748 1 5 . 1 1 33 33 ALA C C 691 179.494 179.494 175.901 3.593 18182 2749 1 5 . 1 1 33 33 ALA CA C 691 51.850 51.850 52.803 -0.953 18182 2750 1 5 . 1 1 33 33 ALA CB C 691 20.045 20.045 18.258 1.787 18182 2751 1 5 . 1 1 33 33 ALA H H 691 8.453 8.453 8.089 0.364 18182 2752 1 5 . 1 1 34 34 SER N N 692 117.274 117.274 116.449 0.825 18182 2753 1 5 . 1 1 34 34 SER HA H 692 4.089 4.089 4.622 -0.533 18182 2754 1 5 . 1 1 34 34 SER C C 692 175.336 175.336 175.413 -0.077 18182 2755 1 5 . 1 1 34 34 SER CA C 692 60.531 60.531 58.490 2.041 18182 2756 1 5 . 1 1 34 34 SER CB C 692 63.308 63.308 63.915 -0.607 18182 2757 1 5 . 1 1 34 34 SER H H 692 8.997 8.997 8.488 0.509 18182 2758 1 5 . 1 1 35 35 GLY N N 693 113.573 113.573 111.335 2.238 18182 2759 1 5 . 1 1 35 35 GLY C C 693 174.808 174.808 173.933 0.875 18182 2760 1 5 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.399 -0.540 18182 2761 1 5 . 1 1 35 35 GLY H H 693 9.926 9.926 9.021 0.905 18182 2762 1 5 . 1 1 36 36 THR N N 694 121.076 121.076 116.905 4.171 18182 2763 1 5 . 1 1 36 36 THR HA H 694 5.962 5.962 5.700 0.262 18182 2764 1 5 . 1 1 36 36 THR C C 694 173.297 173.297 173.563 -0.266 18182 2765 1 5 . 1 1 36 36 THR CA C 694 63.612 63.612 61.800 1.812 18182 2766 1 5 . 1 1 36 36 THR CB C 694 68.317 68.317 70.480 -2.163 18182 2767 1 5 . 1 1 36 36 THR H H 694 8.291 8.291 7.477 0.814 18182 2768 1 5 . 1 1 37 37 TYR N N 695 123.616 123.616 122.035 1.581 18182 2769 1 5 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.862 0.179 18182 2770 1 5 . 1 1 37 37 TYR C C 695 171.831 171.831 172.960 -1.129 18182 2771 1 5 . 1 1 37 37 TYR CA C 695 55.305 55.305 55.037 0.268 18182 2772 1 5 . 1 1 37 37 TYR CB C 695 44.359 44.359 42.130 2.229 18182 2773 1 5 . 1 1 37 37 TYR H H 695 8.805 8.805 9.368 -0.563 18182 2774 1 5 . 1 1 38 38 LEU N N 696 115.449 115.449 114.811 0.638 18182 2775 1 5 . 1 1 38 38 LEU HA H 696 5.159 5.159 4.828 0.331 18182 2776 1 5 . 1 1 38 38 LEU C C 696 174.331 174.331 174.326 0.005 18182 2777 1 5 . 1 1 38 38 LEU CA C 696 53.857 53.857 55.128 -1.271 18182 2778 1 5 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.043 0.850 18182 2779 1 5 . 1 1 38 38 LEU H H 696 9.105 9.105 8.250 0.855 18182 2780 1 5 . 1 1 39 39 ILE N N 697 121.911 121.911 120.660 1.251 18182 2781 1 5 . 1 1 39 39 ILE HA H 697 5.419 5.419 5.053 0.366 18182 2782 1 5 . 1 1 39 39 ILE C C 697 173.476 173.476 174.728 -1.252 18182 2783 1 5 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.338 -0.413 18182 2784 1 5 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.752 -1.823 18182 2785 1 5 . 1 1 39 39 ILE H H 697 9.313 9.313 8.217 1.096 18182 2786 1 5 . 1 1 40 40 ARG N N 698 122.878 122.878 125.307 -2.429 18182 2787 1 5 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.407 -0.115 18182 2788 1 5 . 1 1 40 40 ARG C C 698 174.308 174.308 174.716 -0.408 18182 2789 1 5 . 1 1 40 40 ARG CA C 698 51.744 51.744 52.550 -0.806 18182 2790 1 5 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.791 -0.274 18182 2791 1 5 . 1 1 40 40 ARG H H 698 9.185 9.185 9.305 -0.120 18182 2792 1 5 . 1 1 41 41 GLU N N 699 122.405 122.405 120.979 1.426 18182 2793 1 5 . 1 1 41 41 GLU HA H 699 4.897 4.897 3.912 0.985 18182 2794 1 5 . 1 1 41 41 GLU C C 699 176.242 176.242 175.097 1.145 18182 2795 1 5 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.656 -0.130 18182 2796 1 5 . 1 1 41 41 GLU CB C 699 32.133 32.133 31.568 0.565 18182 2797 1 5 . 1 1 41 41 GLU H H 699 8.634 8.634 8.108 0.526 18182 2798 1 5 . 1 1 42 42 ARG N N 700 125.045 125.045 123.594 1.451 18182 2799 1 5 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.668 0.026 18182 2800 1 5 . 1 1 42 42 ARG CB C 700 31.573 31.573 33.370 -1.797 18182 2801 1 5 . 1 1 42 42 ARG H H 700 8.639 8.639 7.541 1.098 18182 2802 1 5 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.429 -0.015 18182 2803 1 5 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.120 0.291 18182 2804 1 5 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.393 -0.895 18182 2805 1 5 . 1 1 44 44 ALA N N 702 122.925 122.925 128.379 -5.454 18182 2806 1 5 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.366 -0.044 18182 2807 1 5 . 1 1 44 44 ALA C C 702 176.610 176.610 176.712 -0.102 18182 2808 1 5 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.853 -0.051 18182 2809 1 5 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.363 0.028 18182 2810 1 5 . 1 1 44 44 ALA H H 702 7.888 7.888 7.948 -0.060 18182 2811 1 5 . 1 1 45 45 GLU N N 703 118.799 118.799 118.868 -0.069 18182 2812 1 5 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.393 -0.156 18182 2813 1 5 . 1 1 45 45 GLU C C 703 176.717 176.717 177.618 -0.901 18182 2814 1 5 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.134 -0.233 18182 2815 1 5 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.932 0.154 18182 2816 1 5 . 1 1 45 45 GLU H H 703 7.947 7.947 8.765 -0.818 18182 2817 1 5 . 1 1 46 46 ALA N N 704 120.631 120.631 122.524 -1.893 18182 2818 1 5 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.236 0.179 18182 2819 1 5 . 1 1 46 46 ALA C C 704 178.411 178.411 177.447 0.964 18182 2820 1 5 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.559 0.649 18182 2821 1 5 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.084 0.159 18182 2822 1 5 . 1 1 46 46 ALA H H 704 8.643 8.643 7.973 0.670 18182 2823 1 5 . 1 1 47 47 GLU N N 705 119.341 119.341 117.002 2.339 18182 2824 1 5 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.575 0.281 18182 2825 1 5 . 1 1 47 47 GLU C C 705 176.013 176.013 175.847 0.166 18182 2826 1 5 . 1 1 47 47 GLU CA C 705 54.858 54.858 56.248 -1.390 18182 2827 1 5 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.491 -3.658 18182 2828 1 5 . 1 1 47 47 GLU H H 705 7.635 7.635 8.006 -0.371 18182 2829 1 5 . 1 1 48 48 ARG N N 706 120.355 120.355 122.705 -2.350 18182 2830 1 5 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.486 -0.521 18182 2831 1 5 . 1 1 48 48 ARG C C 706 175.117 175.117 175.831 -0.714 18182 2832 1 5 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.006 2.149 18182 2833 1 5 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.381 -1.690 18182 2834 1 5 . 1 1 48 48 ARG H H 706 7.971 7.971 8.471 -0.500 18182 2835 1 5 . 1 1 49 49 PHE N N 707 112.251 112.251 116.389 -4.138 18182 2836 1 5 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.709 1.196 18182 2837 1 5 . 1 1 49 49 PHE C C 707 173.875 173.875 173.337 0.538 18182 2838 1 5 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.836 -2.027 18182 2839 1 5 . 1 1 49 49 PHE CB C 707 43.075 43.075 44.099 -1.024 18182 2840 1 5 . 1 1 49 49 PHE H H 707 7.857 7.857 7.563 0.294 18182 2841 1 5 . 1 1 50 50 ALA N N 708 118.730 118.730 121.804 -3.074 18182 2842 1 5 . 1 1 50 50 ALA HA H 708 5.454 5.454 4.982 0.472 18182 2843 1 5 . 1 1 50 50 ALA C C 708 176.479 176.479 175.142 1.337 18182 2844 1 5 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.816 0.027 18182 2845 1 5 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.099 -0.381 18182 2846 1 5 . 1 1 50 50 ALA H H 708 9.205 9.205 9.302 -0.097 18182 2847 1 5 . 1 1 51 51 ILE N N 709 120.037 120.037 123.073 -3.036 18182 2848 1 5 . 1 1 51 51 ILE HA H 709 4.746 4.746 5.093 -0.347 18182 2849 1 5 . 1 1 51 51 ILE C C 709 175.120 175.120 175.319 -0.199 18182 2850 1 5 . 1 1 51 51 ILE CA C 709 60.723 60.723 59.831 0.892 18182 2851 1 5 . 1 1 51 51 ILE CB C 709 40.300 40.300 41.138 -0.838 18182 2852 1 5 . 1 1 51 51 ILE H H 709 9.262 9.262 8.816 0.446 18182 2853 1 5 . 1 1 52 52 SER N N 710 125.087 125.087 120.590 4.497 18182 2854 1 5 . 1 1 52 52 SER HA H 710 5.468 5.468 5.075 0.393 18182 2855 1 5 . 1 1 52 52 SER C C 710 172.060 172.060 172.577 -0.517 18182 2856 1 5 . 1 1 52 52 SER CA C 710 57.761 57.761 56.686 1.075 18182 2857 1 5 . 1 1 52 52 SER CB C 710 65.210 65.210 64.879 0.331 18182 2858 1 5 . 1 1 52 52 SER H H 710 9.205 9.205 8.970 0.235 18182 2859 1 5 . 1 1 53 53 ILE N N 711 121.753 121.753 126.387 -4.634 18182 2860 1 5 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.027 0.168 18182 2861 1 5 . 1 1 53 53 ILE C C 711 173.070 173.070 173.129 -0.059 18182 2862 1 5 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.230 -1.475 18182 2863 1 5 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.837 0.520 18182 2864 1 5 . 1 1 53 53 ILE H H 711 8.989 8.989 8.671 0.318 18182 2865 1 5 . 1 1 54 54 LYS N N 712 128.758 128.758 128.988 -0.230 18182 2866 1 5 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.012 -0.225 18182 2867 1 5 . 1 1 54 54 LYS C C 712 174.899 174.899 174.693 0.206 18182 2868 1 5 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.857 -0.490 18182 2869 1 5 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.665 -0.307 18182 2870 1 5 . 1 1 54 54 LYS H H 712 8.894 8.894 9.103 -0.209 18182 2871 1 5 . 1 1 55 55 PHE N N 713 130.369 130.369 126.406 3.963 18182 2872 1 5 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.818 0.129 18182 2873 1 5 . 1 1 55 55 PHE C C 713 174.238 174.238 173.504 0.734 18182 2874 1 5 . 1 1 55 55 PHE CA C 713 58.165 58.165 56.901 1.264 18182 2875 1 5 . 1 1 55 55 PHE CB C 713 41.804 41.804 43.277 -1.473 18182 2876 1 5 . 1 1 55 55 PHE H H 713 9.464 9.464 8.935 0.529 18182 2877 1 5 . 1 1 56 56 ASN N N 714 125.719 125.719 123.230 2.489 18182 2878 1 5 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.178 -0.237 18182 2879 1 5 . 1 1 56 56 ASN C C 714 174.003 174.003 174.528 -0.525 18182 2880 1 5 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.952 1.278 18182 2881 1 5 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.431 -1.291 18182 2882 1 5 . 1 1 56 56 ASN H H 714 8.411 8.411 8.710 -0.299 18182 2883 1 5 . 1 1 57 57 ASP N N 715 117.904 117.904 116.110 1.794 18182 2884 1 5 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.373 0.248 18182 2885 1 5 . 1 1 57 57 ASP C C 715 174.858 174.858 174.575 0.283 18182 2886 1 5 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.898 -0.716 18182 2887 1 5 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.685 0.201 18182 2888 1 5 . 1 1 57 57 ASP H H 715 8.542 8.542 8.566 -0.024 18182 2889 1 5 . 1 1 58 58 GLU N N 716 118.707 118.707 117.551 1.156 18182 2890 1 5 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.624 0.086 18182 2891 1 5 . 1 1 58 58 GLU C C 716 173.755 173.755 175.170 -1.415 18182 2892 1 5 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.075 -0.028 18182 2893 1 5 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.325 0.961 18182 2894 1 5 . 1 1 58 58 GLU H H 716 7.889 7.889 7.637 0.252 18182 2895 1 5 . 1 1 59 59 VAL N N 717 120.720 120.720 126.022 -5.302 18182 2896 1 5 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.180 0.250 18182 2897 1 5 . 1 1 59 59 VAL C C 717 175.071 175.071 175.899 -0.828 18182 2898 1 5 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.399 -0.260 18182 2899 1 5 . 1 1 59 59 VAL CB C 717 32.071 32.071 30.751 1.320 18182 2900 1 5 . 1 1 59 59 VAL H H 717 8.536 8.536 8.701 -0.165 18182 2901 1 5 . 1 1 60 60 LYS N N 718 126.403 126.403 127.486 -1.083 18182 2902 1 5 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.580 -0.025 18182 2903 1 5 . 1 1 60 60 LYS C C 718 174.578 174.578 174.892 -0.314 18182 2904 1 5 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.451 -1.334 18182 2905 1 5 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.587 0.319 18182 2906 1 5 . 1 1 60 60 LYS H H 718 8.879 8.879 8.773 0.106 18182 2907 1 5 . 1 1 61 61 HIS N N 719 118.939 118.939 117.484 1.455 18182 2908 1 5 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.306 0.204 18182 2909 1 5 . 1 1 61 61 HIS C C 719 174.482 174.482 174.698 -0.216 18182 2910 1 5 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.287 0.131 18182 2911 1 5 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.148 2.101 18182 2912 1 5 . 1 1 61 61 HIS H H 719 8.846 8.846 8.373 0.473 18182 2913 1 5 . 1 1 62 62 ILE N N 720 124.690 124.690 124.005 0.685 18182 2914 1 5 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.349 0.159 18182 2915 1 5 . 1 1 62 62 ILE C C 720 176.221 176.221 175.039 1.182 18182 2916 1 5 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.091 0.192 18182 2917 1 5 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.769 3.253 18182 2918 1 5 . 1 1 62 62 ILE H H 720 9.704 9.704 9.162 0.542 18182 2919 1 5 . 1 1 63 63 LYS N N 721 126.432 126.432 128.242 -1.810 18182 2920 1 5 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.552 -0.417 18182 2921 1 5 . 1 1 63 63 LYS C C 721 174.783 174.783 175.566 -0.783 18182 2922 1 5 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.342 2.136 18182 2923 1 5 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.562 1.291 18182 2924 1 5 . 1 1 63 63 LYS H H 721 9.100 9.100 8.680 0.420 18182 2925 1 5 . 1 1 64 64 VAL N N 722 123.306 123.306 123.520 -0.214 18182 2926 1 5 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.178 0.080 18182 2927 1 5 . 1 1 64 64 VAL C C 722 174.284 174.284 174.527 -0.243 18182 2928 1 5 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.647 -0.353 18182 2929 1 5 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.752 -0.206 18182 2930 1 5 . 1 1 64 64 VAL H H 722 8.441 8.441 8.648 -0.207 18182 2931 1 5 . 1 1 65 65 VAL N N 723 126.508 126.508 127.204 -0.696 18182 2932 1 5 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.431 -0.149 18182 2933 1 5 . 1 1 65 65 VAL C C 723 174.127 174.127 174.379 -0.252 18182 2934 1 5 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.574 1.026 18182 2935 1 5 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.071 0.646 18182 2936 1 5 . 1 1 65 65 VAL H H 723 8.462 8.462 8.401 0.061 18182 2937 1 5 . 1 1 66 66 GLU N N 724 126.016 126.016 128.301 -2.285 18182 2938 1 5 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.044 0.182 18182 2939 1 5 . 1 1 66 66 GLU C C 724 175.409 175.409 174.908 0.501 18182 2940 1 5 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.922 -0.171 18182 2941 1 5 . 1 1 66 66 GLU CB C 724 32.457 32.457 32.469 -0.012 18182 2942 1 5 . 1 1 66 66 GLU H H 724 8.619 8.619 8.356 0.263 18182 2943 1 5 . 1 1 67 67 LYS N N 725 125.813 125.813 124.201 1.612 18182 2944 1 5 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.539 -0.042 18182 2945 1 5 . 1 1 67 67 LYS C C 725 175.635 175.635 175.044 0.591 18182 2946 1 5 . 1 1 67 67 LYS CA C 725 56.423 56.423 56.225 0.198 18182 2947 1 5 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.710 -0.412 18182 2948 1 5 . 1 1 67 67 LYS H H 725 8.740 8.740 8.826 -0.086 18182 2949 1 5 . 1 1 68 68 ASP N N 726 126.958 126.958 121.526 5.432 18182 2950 1 5 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.266 -0.035 18182 2951 1 5 . 1 1 68 68 ASP C C 726 174.341 174.341 174.575 -0.234 18182 2952 1 5 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.329 0.924 18182 2953 1 5 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.231 0.268 18182 2954 1 5 . 1 1 68 68 ASP H H 726 9.499 9.499 8.680 0.819 18182 2955 1 5 . 1 1 69 69 ASN N N 727 110.214 110.214 109.588 0.626 18182 2956 1 5 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.121 0.144 18182 2957 1 5 . 1 1 69 69 ASN C C 727 173.779 173.779 173.263 0.516 18182 2958 1 5 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.040 0.649 18182 2959 1 5 . 1 1 69 69 ASN CB C 727 37.488 37.488 36.953 0.535 18182 2960 1 5 . 1 1 69 69 ASN H H 727 8.348 8.348 8.211 0.137 18182 2961 1 5 . 1 1 70 70 TRP N N 728 119.007 119.007 115.163 3.844 18182 2962 1 5 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.069 0.321 18182 2963 1 5 . 1 1 70 70 TRP C C 728 174.779 174.779 175.015 -0.236 18182 2964 1 5 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.285 1.541 18182 2965 1 5 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.210 1.345 18182 2966 1 5 . 1 1 70 70 TRP H H 728 8.063 8.063 7.536 0.527 18182 2967 1 5 . 1 1 71 71 ILE N N 729 122.016 122.016 120.994 1.022 18182 2968 1 5 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.715 0.885 18182 2969 1 5 . 1 1 71 71 ILE C C 729 175.184 175.184 174.058 1.126 18182 2970 1 5 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.526 -0.672 18182 2971 1 5 . 1 1 71 71 ILE CB C 729 41.596 41.596 41.087 0.509 18182 2972 1 5 . 1 1 71 71 ILE H H 729 9.378 9.378 9.343 0.035 18182 2973 1 5 . 1 1 72 72 HIS N N 730 121.306 121.306 121.995 -0.689 18182 2974 1 5 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.067 0.151 18182 2975 1 5 . 1 1 72 72 HIS C C 730 173.714 173.714 174.210 -0.496 18182 2976 1 5 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.721 0.921 18182 2977 1 5 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.816 0.689 18182 2978 1 5 . 1 1 72 72 HIS H H 730 9.048 9.048 8.106 0.942 18182 2979 1 5 . 1 1 73 73 ILE N N 731 112.643 112.643 114.938 -2.295 18182 2980 1 5 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.407 0.530 18182 2981 1 5 . 1 1 73 73 ILE C C 731 175.442 175.442 175.518 -0.076 18182 2982 1 5 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.033 0.645 18182 2983 1 5 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.017 0.389 18182 2984 1 5 . 1 1 73 73 ILE H H 731 9.499 9.499 8.430 1.069 18182 2985 1 5 . 1 1 74 74 THR N N 732 115.752 115.752 110.961 4.791 18182 2986 1 5 . 1 1 74 74 THR HA H 732 4.812 4.812 4.513 0.299 18182 2987 1 5 . 1 1 74 74 THR C C 732 173.575 173.575 174.127 -0.552 18182 2988 1 5 . 1 1 74 74 THR CA C 732 58.650 58.650 59.771 -1.121 18182 2989 1 5 . 1 1 74 74 THR CB C 732 70.177 70.177 71.948 -1.771 18182 2990 1 5 . 1 1 74 74 THR H H 732 8.364 8.364 7.672 0.692 18182 2991 1 5 . 1 1 75 75 GLU N N 733 124.910 124.910 119.319 5.591 18182 2992 1 5 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.534 -1.561 18182 2993 1 5 . 1 1 75 75 GLU C C 733 175.609 175.609 175.910 -0.301 18182 2994 1 5 . 1 1 75 75 GLU CA C 733 58.662 58.662 55.489 3.173 18182 2995 1 5 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.627 -0.664 18182 2996 1 5 . 1 1 75 75 GLU H H 733 8.754 8.754 8.897 -0.143 18182 2997 1 5 . 1 1 76 76 ALA N N 734 117.847 117.847 122.253 -4.406 18182 2998 1 5 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.508 -0.568 18182 2999 1 5 . 1 1 76 76 ALA C C 734 177.033 177.033 178.041 -1.008 18182 3000 1 5 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.730 0.444 18182 3001 1 5 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.325 -0.832 18182 3002 1 5 . 1 1 76 76 ALA H H 734 7.538 7.538 7.467 0.071 18182 3003 1 5 . 1 1 77 77 LYS N N 735 119.518 119.518 119.352 0.166 18182 3004 1 5 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.427 -0.316 18182 3005 1 5 . 1 1 77 77 LYS C C 735 171.953 171.953 174.827 -2.874 18182 3006 1 5 . 1 1 77 77 LYS CA C 735 54.699 54.699 54.901 -0.202 18182 3007 1 5 . 1 1 77 77 LYS CB C 735 33.285 33.285 34.374 -1.089 18182 3008 1 5 . 1 1 77 77 LYS H H 735 7.326 7.326 8.071 -0.745 18182 3009 1 5 . 1 1 78 78 LYS N N 736 123.200 123.200 119.422 3.778 18182 3010 1 5 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.507 0.224 18182 3011 1 5 . 1 1 78 78 LYS C C 736 175.123 175.123 175.097 0.026 18182 3012 1 5 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.465 0.645 18182 3013 1 5 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.527 0.443 18182 3014 1 5 . 1 1 78 78 LYS H H 736 7.893 7.893 7.870 0.023 18182 3015 1 5 . 1 1 79 79 PHE N N 737 117.916 117.916 119.323 -1.407 18182 3016 1 5 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.707 0.287 18182 3017 1 5 . 1 1 79 79 PHE C C 737 175.595 175.595 175.653 -0.058 18182 3018 1 5 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.309 -0.367 18182 3019 1 5 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.988 0.425 18182 3020 1 5 . 1 1 79 79 PHE H H 737 9.121 9.121 9.255 -0.134 18182 3021 1 5 . 1 1 80 80 ASP N N 738 119.341 119.341 120.871 -1.530 18182 3022 1 5 . 1 1 80 80 ASP HA H 738 4.749 4.749 4.976 -0.227 18182 3023 1 5 . 1 1 80 80 ASP C C 738 176.035 176.035 176.124 -0.089 18182 3024 1 5 . 1 1 80 80 ASP CA C 738 55.712 55.712 56.485 -0.773 18182 3025 1 5 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.826 -0.117 18182 3026 1 5 . 1 1 80 80 ASP H H 738 9.377 9.377 9.031 0.346 18182 3027 1 5 . 1 1 81 81 SER N N 739 108.518 108.518 109.214 -0.696 18182 3028 1 5 . 1 1 81 81 SER HA H 739 4.694 4.694 4.534 0.160 18182 3029 1 5 . 1 1 81 81 SER C C 739 173.791 173.791 173.658 0.133 18182 3030 1 5 . 1 1 81 81 SER CA C 739 57.049 57.049 57.113 -0.064 18182 3031 1 5 . 1 1 81 81 SER CB C 739 66.839 66.839 64.389 2.449 18182 3032 1 5 . 1 1 81 81 SER H H 739 7.447 7.447 7.391 0.056 18182 3033 1 5 . 1 1 82 82 LEU N N 740 122.626 122.626 124.467 -1.841 18182 3034 1 5 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.111 -0.300 18182 3035 1 5 . 1 1 82 82 LEU C C 740 177.172 177.172 177.868 -0.696 18182 3036 1 5 . 1 1 82 82 LEU CA C 740 57.469 57.469 57.981 -0.512 18182 3037 1 5 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.098 -1.279 18182 3038 1 5 . 1 1 82 82 LEU H H 740 8.969 8.969 8.668 0.301 18182 3039 1 5 . 1 1 83 83 LEU N N 741 116.575 116.575 119.674 -3.099 18182 3040 1 5 . 1 1 83 83 LEU HA H 741 3.837 3.837 4.015 -0.178 18182 3041 1 5 . 1 1 83 83 LEU C C 741 177.492 177.492 178.418 -0.926 18182 3042 1 5 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.759 -0.495 18182 3043 1 5 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.666 0.263 18182 3044 1 5 . 1 1 83 83 LEU H H 741 7.770 7.770 7.741 0.029 18182 3045 1 5 . 1 1 84 84 GLU N N 742 116.865 116.865 119.154 -2.289 18182 3046 1 5 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.068 -0.150 18182 3047 1 5 . 1 1 84 84 GLU C C 742 178.252 178.252 178.898 -0.646 18182 3048 1 5 . 1 1 84 84 GLU CA C 742 59.391 59.391 60.031 -0.639 18182 3049 1 5 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.474 0.985 18182 3050 1 5 . 1 1 84 84 GLU H H 742 7.585 7.585 8.445 -0.860 18182 3051 1 5 . 1 1 85 85 LEU N N 743 122.164 122.164 120.449 1.715 18182 3052 1 5 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.621 -0.593 18182 3053 1 5 . 1 1 85 85 LEU C C 743 177.335 177.335 178.518 -1.183 18182 3054 1 5 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.510 1.261 18182 3055 1 5 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.399 0.428 18182 3056 1 5 . 1 1 85 85 LEU H H 743 7.109 7.109 7.549 -0.440 18182 3057 1 5 . 1 1 86 86 VAL N N 744 119.760 119.760 118.805 0.955 18182 3058 1 5 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.345 -0.492 18182 3059 1 5 . 1 1 86 86 VAL C C 744 177.675 177.675 178.469 -0.794 18182 3060 1 5 . 1 1 86 86 VAL CA C 744 67.113 67.113 65.968 1.145 18182 3061 1 5 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.439 0.672 18182 3062 1 5 . 1 1 86 86 VAL H H 744 8.113 8.113 8.315 -0.202 18182 3063 1 5 . 1 1 87 87 GLU N N 745 116.227 116.227 119.345 -3.118 18182 3064 1 5 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.854 -0.092 18182 3065 1 5 . 1 1 87 87 GLU C C 745 179.530 179.530 179.169 0.361 18182 3066 1 5 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.702 -0.264 18182 3067 1 5 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.713 -0.561 18182 3068 1 5 . 1 1 87 87 GLU H H 745 8.182 8.182 8.428 -0.246 18182 3069 1 5 . 1 1 88 88 TYR N N 746 120.102 120.102 120.597 -0.495 18182 3070 1 5 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.297 -0.150 18182 3071 1 5 . 1 1 88 88 TYR C C 746 179.970 179.970 178.592 1.378 18182 3072 1 5 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.913 0.817 18182 3073 1 5 . 1 1 88 88 TYR CB C 746 38.888 38.888 39.084 -0.196 18182 3074 1 5 . 1 1 88 88 TYR H H 746 7.795 7.795 8.504 -0.709 18182 3075 1 5 . 1 1 89 89 TYR N N 747 118.508 118.508 117.451 1.057 18182 3076 1 5 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.393 0.708 18182 3077 1 5 . 1 1 89 89 TYR C C 747 175.885 175.885 178.108 -2.223 18182 3078 1 5 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.109 0.068 18182 3079 1 5 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.874 -0.831 18182 3080 1 5 . 1 1 89 89 TYR H H 747 7.798 7.798 8.804 -1.006 18182 3081 1 5 . 1 1 90 90 GLN N N 748 118.741 118.741 118.027 0.714 18182 3082 1 5 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.858 0.562 18182 3083 1 5 . 1 1 90 90 GLN C C 748 177.767 177.767 176.776 0.991 18182 3084 1 5 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.655 -0.784 18182 3085 1 5 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.588 0.085 18182 3086 1 5 . 1 1 90 90 GLN H H 748 7.925 7.925 8.222 -0.297 18182 3087 1 5 . 1 1 91 91 CYS N N 749 111.312 111.312 115.775 -4.463 18182 3088 1 5 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.223 0.418 18182 3089 1 5 . 1 1 91 91 CYS C C 749 173.010 173.010 175.158 -2.148 18182 3090 1 5 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.663 -2.128 18182 3091 1 5 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.526 -0.347 18182 3092 1 5 . 1 1 91 91 CYS H H 749 7.178 7.178 7.435 -0.257 18182 3093 1 5 . 1 1 92 92 HIS N N 750 120.386 120.386 118.947 1.439 18182 3094 1 5 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.412 -0.044 18182 3095 1 5 . 1 1 92 92 HIS C C 750 171.815 171.815 173.887 -2.072 18182 3096 1 5 . 1 1 92 92 HIS CA C 750 55.168 55.168 56.468 -1.300 18182 3097 1 5 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.254 -0.948 18182 3098 1 5 . 1 1 92 92 HIS H H 750 7.540 7.540 7.508 0.032 18182 3099 1 5 . 1 1 93 93 SER N N 751 113.259 113.259 114.568 -1.309 18182 3100 1 5 . 1 1 93 93 SER HA H 751 3.812 3.812 4.320 -0.508 18182 3101 1 5 . 1 1 93 93 SER C C 751 176.644 176.644 175.983 0.661 18182 3102 1 5 . 1 1 93 93 SER CA C 751 58.040 58.040 57.428 0.612 18182 3103 1 5 . 1 1 93 93 SER CB C 751 62.954 62.954 64.264 -1.310 18182 3104 1 5 . 1 1 93 93 SER H H 751 8.397 8.397 8.441 -0.044 18182 3105 1 5 . 1 1 94 94 LEU N N 752 127.166 127.166 128.250 -1.084 18182 3106 1 5 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.126 0.014 18182 3107 1 5 . 1 1 94 94 LEU C C 752 177.462 177.462 178.093 -0.631 18182 3108 1 5 . 1 1 94 94 LEU CA C 752 58.300 58.300 57.224 1.076 18182 3109 1 5 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.663 0.669 18182 3110 1 5 . 1 1 94 94 LEU H H 752 8.580 8.580 8.480 0.100 18182 3111 1 5 . 1 1 95 95 LYS N N 753 122.119 122.119 119.112 3.007 18182 3112 1 5 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.455 -0.015 18182 3113 1 5 . 1 1 95 95 LYS C C 753 176.253 176.253 179.101 -2.848 18182 3114 1 5 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.799 -1.570 18182 3115 1 5 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.517 0.827 18182 3116 1 5 . 1 1 95 95 LYS H H 753 8.322 8.322 7.504 0.818 18182 3117 1 5 . 1 1 96 96 GLU N N 754 115.310 115.310 118.482 -3.172 18182 3118 1 5 . 1 1 96 96 GLU HA H 754 4.137 4.137 3.957 0.180 18182 3119 1 5 . 1 1 96 96 GLU C C 754 176.704 176.704 177.611 -0.907 18182 3120 1 5 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.900 -0.411 18182 3121 1 5 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.439 0.238 18182 3122 1 5 . 1 1 96 96 GLU H H 754 7.197 7.197 7.931 -0.734 18182 3123 1 5 . 1 1 97 97 SER N N 755 113.390 113.390 113.602 -0.212 18182 3124 1 5 . 1 1 97 97 SER HA H 755 4.583 4.583 4.385 0.198 18182 3125 1 5 . 1 1 97 97 SER C C 755 171.185 171.185 175.265 -4.080 18182 3126 1 5 . 1 1 97 97 SER CA C 755 59.569 59.569 59.780 -0.211 18182 3127 1 5 . 1 1 97 97 SER CB C 755 66.435 66.435 64.112 2.323 18182 3128 1 5 . 1 1 97 97 SER H H 755 7.857 7.857 7.632 0.225 18182 3129 1 5 . 1 1 98 98 PHE N N 756 121.328 121.328 123.003 -1.675 18182 3130 1 5 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.784 -0.019 18182 3131 1 5 . 1 1 98 98 PHE C C 756 175.774 175.774 176.259 -0.485 18182 3132 1 5 . 1 1 98 98 PHE CA C 756 56.871 56.871 57.228 -0.357 18182 3133 1 5 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.674 1.037 18182 3134 1 5 . 1 1 98 98 PHE H H 756 8.409 8.409 8.410 -0.001 18182 3135 1 5 . 1 1 99 99 LYS N N 757 121.656 121.656 124.654 -2.998 18182 3136 1 5 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.208 -0.095 18182 3137 1 5 . 1 1 99 99 LYS C C 757 177.188 177.188 177.742 -0.554 18182 3138 1 5 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.411 0.325 18182 3139 1 5 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.341 0.015 18182 3140 1 5 . 1 1 99 99 LYS H H 757 8.602 8.602 8.552 0.050 18182 3141 1 5 . 1 1 100 100 GLN N N 758 115.783 115.783 116.483 -0.700 18182 3142 1 5 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.270 0.113 18182 3143 1 5 . 1 1 100 100 GLN C C 758 175.849 175.849 176.617 -0.768 18182 3144 1 5 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.625 -1.793 18182 3145 1 5 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.801 -0.484 18182 3146 1 5 . 1 1 100 100 GLN H H 758 9.139 9.139 8.524 0.615 18182 3147 1 5 . 1 1 101 101 LEU N N 759 124.876 124.876 120.256 4.620 18182 3148 1 5 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.679 -0.987 18182 3149 1 5 . 1 1 101 101 LEU C C 759 173.219 173.219 174.770 -1.551 18182 3150 1 5 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.346 -1.897 18182 3151 1 5 . 1 1 101 101 LEU CB C 759 41.988 41.988 44.264 -2.276 18182 3152 1 5 . 1 1 101 101 LEU H H 759 7.924 7.924 7.683 0.241 18182 3153 1 5 . 1 1 102 102 ASP N N 760 119.263 119.263 118.688 0.575 18182 3154 1 5 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.745 -0.178 18182 3155 1 5 . 1 1 102 102 ASP C C 760 173.570 173.570 174.434 -0.864 18182 3156 1 5 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.015 -1.140 18182 3157 1 5 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.864 -2.835 18182 3158 1 5 . 1 1 102 102 ASP H H 760 6.564 6.564 8.756 -2.192 18182 3159 1 5 . 1 1 103 103 THR N N 761 117.311 117.311 114.707 2.604 18182 3160 1 5 . 1 1 103 103 THR HA H 761 4.701 4.701 4.294 0.407 18182 3161 1 5 . 1 1 103 103 THR C C 761 172.169 172.169 172.601 -0.432 18182 3162 1 5 . 1 1 103 103 THR CA C 761 60.491 60.491 60.466 0.025 18182 3163 1 5 . 1 1 103 103 THR CB C 761 69.358 69.358 69.453 -0.095 18182 3164 1 5 . 1 1 103 103 THR H H 761 7.699 7.699 7.516 0.183 18182 3165 1 5 . 1 1 104 104 THR N N 762 114.211 114.211 113.109 1.102 18182 3166 1 5 . 1 1 104 104 THR HA H 762 4.603 4.603 4.473 0.130 18182 3167 1 5 . 1 1 104 104 THR C C 762 175.647 175.647 172.874 2.773 18182 3168 1 5 . 1 1 104 104 THR CA C 762 60.899 60.899 60.068 0.831 18182 3169 1 5 . 1 1 104 104 THR CB C 762 70.981 70.981 71.612 -0.631 18182 3170 1 5 . 1 1 104 104 THR H H 762 7.300 7.300 7.957 -0.657 18182 3171 1 5 . 1 1 105 105 LEU N N 763 117.640 117.640 120.563 -2.923 18182 3172 1 5 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.843 -0.320 18182 3173 1 5 . 1 1 105 105 LEU C C 763 174.500 174.500 175.843 -1.343 18182 3174 1 5 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.154 -0.999 18182 3175 1 5 . 1 1 105 105 LEU CB C 763 35.747 35.747 41.120 -5.373 18182 3176 1 5 . 1 1 105 105 LEU H H 763 8.113 8.113 8.472 -0.359 18182 3177 1 5 . 1 1 106 106 LYS N N 764 127.345 127.345 122.081 5.264 18182 3178 1 5 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.294 -0.283 18182 3179 1 5 . 1 1 106 106 LYS C C 764 176.781 176.781 175.588 1.193 18182 3180 1 5 . 1 1 106 106 LYS CA C 764 59.888 59.888 55.958 3.930 18182 3181 1 5 . 1 1 106 106 LYS CB C 764 35.223 35.223 35.727 -0.505 18182 3182 1 5 . 1 1 106 106 LYS H H 764 7.181 7.181 7.995 -0.814 18182 3183 1 5 . 1 1 107 107 TYR N N 765 115.756 115.756 119.214 -3.458 18182 3184 1 5 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.075 0.446 18182 3185 1 5 . 1 1 107 107 TYR C C 765 172.106 172.106 173.210 -1.104 18182 3186 1 5 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.345 -2.724 18182 3187 1 5 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.797 1.721 18182 3188 1 5 . 1 1 107 107 TYR H H 765 7.877 7.877 8.137 -0.260 18182 3189 1 5 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.447 -0.774 18182 3190 1 5 . 1 1 108 108 PRO C C 766 180.696 180.696 176.292 4.404 18182 3191 1 5 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.759 0.852 18182 3192 1 5 . 1 1 109 109 TYR N N 767 122.570 122.570 113.887 8.683 18182 3193 1 5 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.006 -0.189 18182 3194 1 5 . 1 1 109 109 TYR C C 767 174.769 174.769 176.224 -1.455 18182 3195 1 5 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.238 0.945 18182 3196 1 5 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.988 -0.521 18182 3197 1 5 . 1 1 109 109 TYR H H 767 8.341 8.341 8.366 -0.025 18182 3198 1 5 . 1 1 110 110 LYS N N 768 118.398 118.398 116.888 1.510 18182 3199 1 5 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.410 -0.468 18182 3200 1 5 . 1 1 110 110 LYS C C 768 176.453 176.453 175.683 0.770 18182 3201 1 5 . 1 1 110 110 LYS CA C 768 56.901 56.901 56.540 0.361 18182 3202 1 5 . 1 1 110 110 LYS CB C 768 32.581 32.581 33.988 -1.407 18182 3203 1 5 . 1 1 110 110 LYS H H 768 6.790 6.790 7.555 -0.765 18182 3204 1 5 . 1 1 111 111 SER N N 769 114.260 114.260 113.526 0.734 18182 3205 1 5 . 1 1 111 111 SER HA H 769 4.384 4.384 4.493 -0.109 18182 3206 1 5 . 1 1 111 111 SER C C 769 174.124 174.124 172.702 1.422 18182 3207 1 5 . 1 1 111 111 SER CA C 769 58.802 58.802 58.483 0.319 18182 3208 1 5 . 1 1 111 111 SER CB C 769 64.206 64.206 63.759 0.447 18182 3209 1 5 . 1 1 111 111 SER H H 769 7.769 7.769 7.572 0.197 18182 3210 1 5 . 1 1 112 112 ARG N N 770 122.485 122.485 123.464 -0.979 18182 3211 1 5 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.635 -0.257 18182 3212 1 5 . 1 1 112 112 ARG C C 770 175.139 175.139 175.704 -0.565 18182 3213 1 5 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.649 -0.021 18182 3214 1 5 . 1 1 112 112 ARG CB C 770 30.935 30.935 31.053 -0.118 18182 3215 1 5 . 1 1 112 112 ARG H H 770 8.109 8.109 8.292 -0.183 18182 3216 1 6 . 1 1 2 2 ARG N N 660 123.565 123.565 123.453 0.112 18182 3217 1 6 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.172 0.458 18182 3218 1 6 . 1 1 2 2 ARG C C 660 173.529 173.529 173.677 -0.148 18182 3219 1 6 . 1 1 2 2 ARG CA C 660 53.869 53.869 55.924 -2.055 18182 3220 1 6 . 1 1 2 2 ARG CB C 660 30.428 30.428 30.180 0.248 18182 3221 1 6 . 1 1 2 2 ARG H H 660 8.295 8.295 8.578 -0.283 18182 3222 1 6 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.526 0.146 18182 3223 1 6 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.373 0.039 18182 3224 1 6 . 1 1 4 4 PRO C C 662 177.096 177.096 177.767 -0.671 18182 3225 1 6 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.927 -0.631 18182 3226 1 6 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.004 0.018 18182 3227 1 6 . 1 1 5 5 SER N N 663 116.025 116.025 117.705 -1.680 18182 3228 1 6 . 1 1 5 5 SER HA H 663 4.374 4.374 4.070 0.304 18182 3229 1 6 . 1 1 5 5 SER C C 663 174.815 174.815 174.715 0.100 18182 3230 1 6 . 1 1 5 5 SER CA C 663 58.797 58.797 60.697 -1.900 18182 3231 1 6 . 1 1 5 5 SER CB C 663 64.024 64.024 62.712 1.312 18182 3232 1 6 . 1 1 5 5 SER H H 663 8.406 8.406 8.763 -0.357 18182 3233 1 6 . 1 1 6 6 ARG N N 664 122.062 122.062 122.240 -0.178 18182 3234 1 6 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.302 0.077 18182 3235 1 6 . 1 1 6 6 ARG C C 664 175.958 175.958 175.785 0.173 18182 3236 1 6 . 1 1 6 6 ARG CA C 664 56.136 56.136 57.170 -1.034 18182 3237 1 6 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.064 -0.352 18182 3238 1 6 . 1 1 6 6 ARG H H 664 8.371 8.371 7.942 0.429 18182 3239 1 6 . 1 1 7 7 GLU N N 665 122.160 122.160 121.916 0.244 18182 3240 1 6 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.634 -0.321 18182 3241 1 6 . 1 1 7 7 GLU C C 665 175.842 175.842 175.308 0.534 18182 3242 1 6 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.005 0.405 18182 3243 1 6 . 1 1 7 7 GLU CB C 665 29.972 29.972 30.179 -0.207 18182 3244 1 6 . 1 1 7 7 GLU H H 665 8.352 8.352 8.607 -0.255 18182 3245 1 6 . 1 1 8 8 ILE N N 666 123.828 123.828 124.086 -0.258 18182 3246 1 6 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.349 -0.509 18182 3247 1 6 . 1 1 8 8 ILE C C 666 174.373 174.373 175.196 -0.823 18182 3248 1 6 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.805 0.122 18182 3249 1 6 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.593 -0.052 18182 3250 1 6 . 1 1 8 8 ILE H H 666 7.938 7.938 8.210 -0.272 18182 3251 1 6 . 1 1 9 9 ASP N N 667 124.338 124.338 127.793 -3.455 18182 3252 1 6 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.779 -0.160 18182 3253 1 6 . 1 1 9 9 ASP C C 667 177.006 177.006 176.547 0.459 18182 3254 1 6 . 1 1 9 9 ASP CA C 667 52.052 52.052 52.932 -0.880 18182 3255 1 6 . 1 1 9 9 ASP CB C 667 40.364 40.364 41.074 -0.710 18182 3256 1 6 . 1 1 9 9 ASP H H 667 8.111 8.111 8.714 -0.603 18182 3257 1 6 . 1 1 10 10 TYR N N 668 125.199 125.199 124.343 0.856 18182 3258 1 6 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.223 -0.035 18182 3259 1 6 . 1 1 10 10 TYR C C 668 175.947 175.947 176.967 -1.020 18182 3260 1 6 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.156 0.527 18182 3261 1 6 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.703 -1.467 18182 3262 1 6 . 1 1 10 10 TYR H H 668 8.495 8.495 8.627 -0.132 18182 3263 1 6 . 1 1 11 11 THR N N 669 108.617 108.617 110.102 -1.485 18182 3264 1 6 . 1 1 11 11 THR HA H 669 4.148 4.148 3.716 0.432 18182 3265 1 6 . 1 1 11 11 THR C C 669 175.184 175.184 175.065 0.119 18182 3266 1 6 . 1 1 11 11 THR CA C 669 65.022 65.022 64.528 0.494 18182 3267 1 6 . 1 1 11 11 THR CB C 669 69.280 69.280 68.153 1.127 18182 3268 1 6 . 1 1 11 11 THR H H 669 8.011 8.011 7.668 0.343 18182 3269 1 6 . 1 1 12 12 ALA N N 670 121.275 121.275 123.660 -2.385 18182 3270 1 6 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.930 0.146 18182 3271 1 6 . 1 1 12 12 ALA C C 670 177.815 177.815 177.577 0.238 18182 3272 1 6 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.309 -0.753 18182 3273 1 6 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.591 0.283 18182 3274 1 6 . 1 1 12 12 ALA H H 670 7.411 7.411 7.156 0.255 18182 3275 1 6 . 1 1 13 13 TYR N N 671 117.883 117.883 117.826 0.057 18182 3276 1 6 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.552 -0.251 18182 3277 1 6 . 1 1 13 13 TYR C C 671 176.698 176.698 173.696 3.002 18182 3278 1 6 . 1 1 13 13 TYR CA C 671 56.986 56.986 54.561 2.425 18182 3279 1 6 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.581 -0.766 18182 3280 1 6 . 1 1 13 13 TYR H H 671 7.538 7.538 7.209 0.329 18182 3281 1 6 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.132 0.224 18182 3282 1 6 . 1 1 14 14 PRO C C 672 173.452 173.452 176.094 -2.642 18182 3283 1 6 . 1 1 14 14 PRO CA C 672 64.323 64.323 62.745 1.578 18182 3284 1 6 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.384 -1.161 18182 3285 1 6 . 1 1 15 15 TRP N N 673 110.044 110.044 112.044 -2.000 18182 3286 1 6 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.153 0.639 18182 3287 1 6 . 1 1 15 15 TRP C C 673 175.577 175.577 173.986 1.591 18182 3288 1 6 . 1 1 15 15 TRP CA C 673 53.157 53.157 57.158 -4.001 18182 3289 1 6 . 1 1 15 15 TRP CB C 673 32.373 32.373 25.980 6.393 18182 3290 1 6 . 1 1 15 15 TRP H H 673 6.229 6.229 8.251 -2.022 18182 3291 1 6 . 1 1 16 16 PHE N N 674 123.205 123.205 121.210 1.995 18182 3292 1 6 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.967 0.204 18182 3293 1 6 . 1 1 16 16 PHE C C 674 174.832 174.832 174.287 0.545 18182 3294 1 6 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.407 3.465 18182 3295 1 6 . 1 1 16 16 PHE CB C 674 40.208 40.208 40.643 -0.435 18182 3296 1 6 . 1 1 16 16 PHE H H 674 7.625 7.625 7.620 0.005 18182 3297 1 6 . 1 1 17 17 ALA N N 675 130.669 130.669 130.608 0.061 18182 3298 1 6 . 1 1 17 17 ALA HA H 675 4.948 4.948 5.063 -0.115 18182 3299 1 6 . 1 1 17 17 ALA C C 675 177.266 177.266 176.385 0.881 18182 3300 1 6 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.291 0.977 18182 3301 1 6 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.749 0.679 18182 3302 1 6 . 1 1 17 17 ALA H H 675 9.097 9.097 8.316 0.781 18182 3303 1 6 . 1 1 18 18 GLY C C 676 174.230 174.230 173.972 0.258 18182 3304 1 6 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.210 2.720 18182 3305 1 6 . 1 1 19 19 ASN N N 677 124.910 124.910 120.321 4.589 18182 3306 1 6 . 1 1 19 19 ASN HA H 677 4.894 4.894 5.057 -0.163 18182 3307 1 6 . 1 1 19 19 ASN C C 677 174.597 174.597 174.958 -0.361 18182 3308 1 6 . 1 1 19 19 ASN CA C 677 52.942 52.942 52.788 0.155 18182 3309 1 6 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.715 -0.756 18182 3310 1 6 . 1 1 19 19 ASN H H 677 8.682 8.682 8.604 0.078 18182 3311 1 6 . 1 1 20 20 MET N N 678 122.347 122.347 123.846 -1.499 18182 3312 1 6 . 1 1 20 20 MET HA H 678 4.115 4.115 4.615 -0.500 18182 3313 1 6 . 1 1 20 20 MET C C 678 175.451 175.451 175.030 0.421 18182 3314 1 6 . 1 1 20 20 MET CA C 678 56.675 56.675 54.923 1.752 18182 3315 1 6 . 1 1 20 20 MET CB C 678 35.208 35.208 34.840 0.368 18182 3316 1 6 . 1 1 20 20 MET H H 678 7.006 7.006 7.827 -0.821 18182 3317 1 6 . 1 1 21 21 GLU N N 679 124.989 124.989 118.283 6.706 18182 3318 1 6 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.602 -0.311 18182 3319 1 6 . 1 1 21 21 GLU C C 679 178.232 178.232 177.316 0.916 18182 3320 1 6 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.211 0.916 18182 3321 1 6 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.017 -0.085 18182 3322 1 6 . 1 1 21 21 GLU H H 679 8.761 8.761 8.573 0.188 18182 3323 1 6 . 1 1 22 22 ARG N N 680 125.521 125.521 122.423 3.098 18182 3324 1 6 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.950 -0.614 18182 3325 1 6 . 1 1 22 22 ARG C C 680 177.707 177.707 178.111 -0.404 18182 3326 1 6 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.612 0.432 18182 3327 1 6 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.193 -0.136 18182 3328 1 6 . 1 1 22 22 ARG H H 680 9.406 9.406 8.845 0.561 18182 3329 1 6 . 1 1 23 23 GLN N N 681 117.320 117.320 118.339 -1.019 18182 3330 1 6 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.082 -0.017 18182 3331 1 6 . 1 1 23 23 GLN C C 681 178.317 178.317 178.359 -0.042 18182 3332 1 6 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.926 0.825 18182 3333 1 6 . 1 1 23 23 GLN CB C 681 27.784 27.784 28.203 -0.419 18182 3334 1 6 . 1 1 23 23 GLN H H 681 9.048 9.048 8.686 0.362 18182 3335 1 6 . 1 1 24 24 GLN N N 682 117.909 117.909 119.265 -1.356 18182 3336 1 6 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.149 -0.029 18182 3337 1 6 . 1 1 24 24 GLN C C 682 178.190 178.190 178.648 -0.458 18182 3338 1 6 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.014 -0.271 18182 3339 1 6 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.147 0.168 18182 3340 1 6 . 1 1 24 24 GLN H H 682 7.182 7.182 8.295 -1.113 18182 3341 1 6 . 1 1 25 25 THR N N 683 117.007 117.007 116.098 0.909 18182 3342 1 6 . 1 1 25 25 THR HA H 683 3.681 3.681 3.977 -0.296 18182 3343 1 6 . 1 1 25 25 THR C C 683 175.786 175.786 176.675 -0.889 18182 3344 1 6 . 1 1 25 25 THR CA C 683 67.702 67.702 66.998 0.704 18182 3345 1 6 . 1 1 25 25 THR CB C 683 68.000 68.000 67.914 0.086 18182 3346 1 6 . 1 1 25 25 THR H H 683 7.903 7.903 7.880 0.023 18182 3347 1 6 . 1 1 26 26 ASP N N 684 122.824 122.824 121.016 1.808 18182 3348 1 6 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.437 -0.157 18182 3349 1 6 . 1 1 26 26 ASP C C 684 178.269 178.269 178.259 0.010 18182 3350 1 6 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.340 0.797 18182 3351 1 6 . 1 1 26 26 ASP CB C 684 40.178 40.178 41.091 -0.913 18182 3352 1 6 . 1 1 26 26 ASP H H 684 8.430 8.430 8.069 0.361 18182 3353 1 6 . 1 1 27 27 ASN N N 685 115.634 115.634 117.432 -1.798 18182 3354 1 6 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.593 -0.234 18182 3355 1 6 . 1 1 27 27 ASN C C 685 177.065 177.065 177.897 -0.832 18182 3356 1 6 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.611 0.300 18182 3357 1 6 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.966 -0.460 18182 3358 1 6 . 1 1 27 27 ASN H H 685 7.647 7.647 8.015 -0.368 18182 3359 1 6 . 1 1 28 28 LEU N N 686 120.594 120.594 121.947 -1.353 18182 3360 1 6 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.158 0.071 18182 3361 1 6 . 1 1 28 28 LEU C C 686 179.502 179.502 178.605 0.897 18182 3362 1 6 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.456 -0.476 18182 3363 1 6 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.535 0.568 18182 3364 1 6 . 1 1 28 28 LEU H H 686 8.093 8.093 8.437 -0.344 18182 3365 1 6 . 1 1 29 29 LEU N N 687 115.149 115.149 117.163 -2.014 18182 3366 1 6 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.286 -0.204 18182 3367 1 6 . 1 1 29 29 LEU C C 687 178.910 178.910 178.975 -0.065 18182 3368 1 6 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.619 0.298 18182 3369 1 6 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.142 1.756 18182 3370 1 6 . 1 1 29 29 LEU H H 687 8.386 8.386 8.321 0.065 18182 3371 1 6 . 1 1 30 30 LYS N N 688 118.086 118.086 120.312 -2.226 18182 3372 1 6 . 1 1 30 30 LYS HA H 688 3.738 3.738 3.942 -0.204 18182 3373 1 6 . 1 1 30 30 LYS C C 688 177.312 177.312 178.570 -1.258 18182 3374 1 6 . 1 1 30 30 LYS CA C 688 60.509 60.509 60.098 0.411 18182 3375 1 6 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.113 -0.023 18182 3376 1 6 . 1 1 30 30 LYS H H 688 7.752 7.752 7.764 -0.012 18182 3377 1 6 . 1 1 31 31 SER N N 689 111.134 111.134 111.900 -0.766 18182 3378 1 6 . 1 1 31 31 SER HA H 689 4.460 4.460 4.299 0.161 18182 3379 1 6 . 1 1 31 31 SER C C 689 174.501 174.501 175.306 -0.805 18182 3380 1 6 . 1 1 31 31 SER CA C 689 58.559 58.559 59.241 -0.682 18182 3381 1 6 . 1 1 31 31 SER CB C 689 63.528 63.528 63.333 0.195 18182 3382 1 6 . 1 1 31 31 SER H H 689 7.629 7.629 7.836 -0.207 18182 3383 1 6 . 1 1 32 32 HIS N N 690 120.218 120.218 120.464 -0.246 18182 3384 1 6 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.437 0.219 18182 3385 1 6 . 1 1 32 32 HIS C C 690 173.855 173.855 174.730 -0.875 18182 3386 1 6 . 1 1 32 32 HIS CA C 690 56.219 56.219 57.314 -1.095 18182 3387 1 6 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.629 1.295 18182 3388 1 6 . 1 1 32 32 HIS H H 690 7.701 7.701 7.358 0.343 18182 3389 1 6 . 1 1 33 33 ALA N N 691 120.317 120.317 123.166 -2.849 18182 3390 1 6 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.470 -0.139 18182 3391 1 6 . 1 1 33 33 ALA C C 691 179.494 179.494 178.058 1.436 18182 3392 1 6 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.707 0.143 18182 3393 1 6 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.246 -0.201 18182 3394 1 6 . 1 1 33 33 ALA H H 691 8.453 8.453 8.526 -0.073 18182 3395 1 6 . 1 1 34 34 SER N N 692 117.274 117.274 115.923 1.351 18182 3396 1 6 . 1 1 34 34 SER HA H 692 4.089 4.089 4.603 -0.514 18182 3397 1 6 . 1 1 34 34 SER C C 692 175.336 175.336 174.340 0.996 18182 3398 1 6 . 1 1 34 34 SER CA C 692 60.531 60.531 58.254 2.277 18182 3399 1 6 . 1 1 34 34 SER CB C 692 63.308 63.308 61.727 1.581 18182 3400 1 6 . 1 1 34 34 SER H H 692 8.997 8.997 8.593 0.404 18182 3401 1 6 . 1 1 35 35 GLY N N 693 113.573 113.573 108.820 4.753 18182 3402 1 6 . 1 1 35 35 GLY C C 693 174.808 174.808 172.914 1.894 18182 3403 1 6 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.514 -0.655 18182 3404 1 6 . 1 1 35 35 GLY H H 693 9.926 9.926 7.922 2.004 18182 3405 1 6 . 1 1 36 36 THR N N 694 121.076 121.076 118.648 2.428 18182 3406 1 6 . 1 1 36 36 THR HA H 694 5.962 5.962 5.854 0.108 18182 3407 1 6 . 1 1 36 36 THR C C 694 173.297 173.297 173.539 -0.242 18182 3408 1 6 . 1 1 36 36 THR CA C 694 63.612 63.612 60.533 3.079 18182 3409 1 6 . 1 1 36 36 THR CB C 694 68.317 68.317 70.490 -2.173 18182 3410 1 6 . 1 1 36 36 THR H H 694 8.291 8.291 7.595 0.696 18182 3411 1 6 . 1 1 37 37 TYR N N 695 123.616 123.616 123.267 0.349 18182 3412 1 6 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.770 0.271 18182 3413 1 6 . 1 1 37 37 TYR C C 695 171.831 171.831 173.135 -1.304 18182 3414 1 6 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.769 0.536 18182 3415 1 6 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.854 2.505 18182 3416 1 6 . 1 1 37 37 TYR H H 695 8.805 8.805 8.505 0.300 18182 3417 1 6 . 1 1 38 38 LEU N N 696 115.449 115.449 115.804 -0.355 18182 3418 1 6 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.167 -0.008 18182 3419 1 6 . 1 1 38 38 LEU C C 696 174.331 174.331 174.527 -0.196 18182 3420 1 6 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.946 -1.089 18182 3421 1 6 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.846 1.047 18182 3422 1 6 . 1 1 38 38 LEU H H 696 9.105 9.105 8.620 0.485 18182 3423 1 6 . 1 1 39 39 ILE N N 697 121.911 121.911 121.412 0.499 18182 3424 1 6 . 1 1 39 39 ILE HA H 697 5.419 5.419 5.095 0.324 18182 3425 1 6 . 1 1 39 39 ILE C C 697 173.476 173.476 174.784 -1.308 18182 3426 1 6 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.162 -0.237 18182 3427 1 6 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.638 -1.709 18182 3428 1 6 . 1 1 39 39 ILE H H 697 9.313 9.313 8.073 1.240 18182 3429 1 6 . 1 1 40 40 ARG N N 698 122.878 122.878 124.510 -1.632 18182 3430 1 6 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.115 0.177 18182 3431 1 6 . 1 1 40 40 ARG C C 698 174.308 174.308 174.524 -0.216 18182 3432 1 6 . 1 1 40 40 ARG CA C 698 51.744 51.744 52.969 -1.225 18182 3433 1 6 . 1 1 40 40 ARG CB C 698 33.517 33.517 34.102 -0.585 18182 3434 1 6 . 1 1 40 40 ARG H H 698 9.185 9.185 9.324 -0.139 18182 3435 1 6 . 1 1 41 41 GLU N N 699 122.405 122.405 120.942 1.463 18182 3436 1 6 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.829 0.068 18182 3437 1 6 . 1 1 41 41 GLU C C 699 176.242 176.242 175.121 1.121 18182 3438 1 6 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.203 0.323 18182 3439 1 6 . 1 1 41 41 GLU CB C 699 32.133 32.133 33.061 -0.928 18182 3440 1 6 . 1 1 41 41 GLU H H 699 8.634 8.634 8.249 0.385 18182 3441 1 6 . 1 1 42 42 ARG N N 700 125.045 125.045 123.607 1.438 18182 3442 1 6 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.749 -0.055 18182 3443 1 6 . 1 1 42 42 ARG CB C 700 31.573 31.573 33.857 -2.284 18182 3444 1 6 . 1 1 42 42 ARG H H 700 8.639 8.639 8.230 0.409 18182 3445 1 6 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.471 -0.057 18182 3446 1 6 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.248 0.163 18182 3447 1 6 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.162 -0.664 18182 3448 1 6 . 1 1 44 44 ALA N N 702 122.925 122.925 126.813 -3.888 18182 3449 1 6 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.628 -0.306 18182 3450 1 6 . 1 1 44 44 ALA C C 702 176.610 176.610 176.056 0.554 18182 3451 1 6 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.145 0.657 18182 3452 1 6 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.355 -0.964 18182 3453 1 6 . 1 1 44 44 ALA H H 702 7.888 7.888 7.869 0.019 18182 3454 1 6 . 1 1 45 45 GLU N N 703 118.799 118.799 120.251 -1.452 18182 3455 1 6 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.246 -0.009 18182 3456 1 6 . 1 1 45 45 GLU C C 703 176.717 176.717 177.959 -1.242 18182 3457 1 6 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.530 -0.629 18182 3458 1 6 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.590 0.496 18182 3459 1 6 . 1 1 45 45 GLU H H 703 7.947 7.947 8.855 -0.908 18182 3460 1 6 . 1 1 46 46 ALA N N 704 120.631 120.631 121.848 -1.217 18182 3461 1 6 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.273 0.142 18182 3462 1 6 . 1 1 46 46 ALA C C 704 178.411 178.411 177.074 1.337 18182 3463 1 6 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.501 0.707 18182 3464 1 6 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.213 0.030 18182 3465 1 6 . 1 1 46 46 ALA H H 704 8.643 8.643 8.061 0.582 18182 3466 1 6 . 1 1 47 47 GLU N N 705 119.341 119.341 117.301 2.040 18182 3467 1 6 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.989 -0.133 18182 3468 1 6 . 1 1 47 47 GLU C C 705 176.013 176.013 176.023 -0.010 18182 3469 1 6 . 1 1 47 47 GLU CA C 705 54.858 54.858 56.106 -1.248 18182 3470 1 6 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.490 -3.656 18182 3471 1 6 . 1 1 47 47 GLU H H 705 7.635 7.635 8.104 -0.469 18182 3472 1 6 . 1 1 48 48 ARG N N 706 120.355 120.355 119.859 0.496 18182 3473 1 6 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.415 -0.450 18182 3474 1 6 . 1 1 48 48 ARG C C 706 175.117 175.117 175.251 -0.134 18182 3475 1 6 . 1 1 48 48 ARG CA C 706 58.155 58.155 55.813 2.341 18182 3476 1 6 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.111 -1.420 18182 3477 1 6 . 1 1 48 48 ARG H H 706 7.971 7.971 8.353 -0.382 18182 3478 1 6 . 1 1 49 49 PHE N N 707 112.251 112.251 116.442 -4.191 18182 3479 1 6 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.803 1.102 18182 3480 1 6 . 1 1 49 49 PHE C C 707 173.875 173.875 173.405 0.470 18182 3481 1 6 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.775 -1.966 18182 3482 1 6 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.633 -0.558 18182 3483 1 6 . 1 1 49 49 PHE H H 707 7.857 7.857 7.373 0.484 18182 3484 1 6 . 1 1 50 50 ALA N N 708 118.730 118.730 122.822 -4.092 18182 3485 1 6 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.003 0.451 18182 3486 1 6 . 1 1 50 50 ALA C C 708 176.479 176.479 175.400 1.079 18182 3487 1 6 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.390 0.452 18182 3488 1 6 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.674 0.044 18182 3489 1 6 . 1 1 50 50 ALA H H 708 9.205 9.205 9.417 -0.212 18182 3490 1 6 . 1 1 51 51 ILE N N 709 120.037 120.037 124.013 -3.976 18182 3491 1 6 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.838 -0.092 18182 3492 1 6 . 1 1 51 51 ILE C C 709 175.120 175.120 175.428 -0.308 18182 3493 1 6 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.259 0.464 18182 3494 1 6 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.254 0.046 18182 3495 1 6 . 1 1 51 51 ILE H H 709 9.262 9.262 8.349 0.913 18182 3496 1 6 . 1 1 52 52 SER N N 710 125.087 125.087 121.552 3.535 18182 3497 1 6 . 1 1 52 52 SER HA H 710 5.468 5.468 5.239 0.229 18182 3498 1 6 . 1 1 52 52 SER C C 710 172.060 172.060 172.686 -0.626 18182 3499 1 6 . 1 1 52 52 SER CA C 710 57.761 57.761 57.343 0.418 18182 3500 1 6 . 1 1 52 52 SER CB C 710 65.210 65.210 65.902 -0.692 18182 3501 1 6 . 1 1 52 52 SER H H 710 9.205 9.205 8.975 0.230 18182 3502 1 6 . 1 1 53 53 ILE N N 711 121.753 121.753 123.669 -1.916 18182 3503 1 6 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.189 0.006 18182 3504 1 6 . 1 1 53 53 ILE C C 711 173.070 173.070 173.270 -0.200 18182 3505 1 6 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.525 -1.770 18182 3506 1 6 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.946 0.411 18182 3507 1 6 . 1 1 53 53 ILE H H 711 8.989 8.989 8.487 0.502 18182 3508 1 6 . 1 1 54 54 LYS N N 712 128.758 128.758 128.732 0.026 18182 3509 1 6 . 1 1 54 54 LYS HA H 712 4.787 4.787 4.852 -0.065 18182 3510 1 6 . 1 1 54 54 LYS C C 712 174.899 174.899 174.975 -0.076 18182 3511 1 6 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.080 -0.713 18182 3512 1 6 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.449 -0.091 18182 3513 1 6 . 1 1 54 54 LYS H H 712 8.894 8.894 8.452 0.442 18182 3514 1 6 . 1 1 55 55 PHE N N 713 130.369 130.369 127.467 2.902 18182 3515 1 6 . 1 1 55 55 PHE HA H 713 4.947 4.947 5.039 -0.092 18182 3516 1 6 . 1 1 55 55 PHE C C 713 174.238 174.238 174.613 -0.375 18182 3517 1 6 . 1 1 55 55 PHE CA C 713 58.165 58.165 56.419 1.746 18182 3518 1 6 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.859 -1.055 18182 3519 1 6 . 1 1 55 55 PHE H H 713 9.464 9.464 9.030 0.434 18182 3520 1 6 . 1 1 56 56 ASN N N 714 125.719 125.719 125.168 0.551 18182 3521 1 6 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.042 -0.101 18182 3522 1 6 . 1 1 56 56 ASN C C 714 174.003 174.003 173.929 0.074 18182 3523 1 6 . 1 1 56 56 ASN CA C 714 55.230 55.230 54.064 1.166 18182 3524 1 6 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.276 -1.136 18182 3525 1 6 . 1 1 56 56 ASN H H 714 8.411 8.411 8.309 0.102 18182 3526 1 6 . 1 1 57 57 ASP N N 715 117.904 117.904 112.379 5.525 18182 3527 1 6 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.172 0.449 18182 3528 1 6 . 1 1 57 57 ASP C C 715 174.858 174.858 174.706 0.152 18182 3529 1 6 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.835 -0.653 18182 3530 1 6 . 1 1 57 57 ASP CB C 715 40.886 40.886 39.929 0.957 18182 3531 1 6 . 1 1 57 57 ASP H H 715 8.542 8.542 8.596 -0.054 18182 3532 1 6 . 1 1 58 58 GLU N N 716 118.707 118.707 117.432 1.275 18182 3533 1 6 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.585 0.125 18182 3534 1 6 . 1 1 58 58 GLU C C 716 173.755 173.755 174.920 -1.165 18182 3535 1 6 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.180 -0.133 18182 3536 1 6 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.066 1.220 18182 3537 1 6 . 1 1 58 58 GLU H H 716 7.889 7.889 7.685 0.204 18182 3538 1 6 . 1 1 59 59 VAL N N 717 120.720 120.720 126.165 -5.445 18182 3539 1 6 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.212 0.218 18182 3540 1 6 . 1 1 59 59 VAL C C 717 175.071 175.071 176.255 -1.184 18182 3541 1 6 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.925 -0.786 18182 3542 1 6 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.758 0.313 18182 3543 1 6 . 1 1 59 59 VAL H H 717 8.536 8.536 8.589 -0.053 18182 3544 1 6 . 1 1 60 60 LYS N N 718 126.403 126.403 126.407 -0.004 18182 3545 1 6 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.682 -0.127 18182 3546 1 6 . 1 1 60 60 LYS C C 718 174.578 174.578 174.797 -0.219 18182 3547 1 6 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.654 -0.537 18182 3548 1 6 . 1 1 60 60 LYS CB C 718 34.906 34.906 35.774 -0.868 18182 3549 1 6 . 1 1 60 60 LYS H H 718 8.879 8.879 9.027 -0.148 18182 3550 1 6 . 1 1 61 61 HIS N N 719 118.939 118.939 118.536 0.403 18182 3551 1 6 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.479 0.031 18182 3552 1 6 . 1 1 61 61 HIS C C 719 174.482 174.482 174.975 -0.493 18182 3553 1 6 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.398 0.020 18182 3554 1 6 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.838 2.411 18182 3555 1 6 . 1 1 61 61 HIS H H 719 8.846 8.846 8.417 0.429 18182 3556 1 6 . 1 1 62 62 ILE N N 720 124.690 124.690 124.687 0.003 18182 3557 1 6 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.347 0.161 18182 3558 1 6 . 1 1 62 62 ILE C C 720 176.221 176.221 175.078 1.143 18182 3559 1 6 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.287 -0.004 18182 3560 1 6 . 1 1 62 62 ILE CB C 720 43.022 43.022 38.764 4.258 18182 3561 1 6 . 1 1 62 62 ILE H H 720 9.704 9.704 9.155 0.549 18182 3562 1 6 . 1 1 63 63 LYS N N 721 126.432 126.432 128.152 -1.720 18182 3563 1 6 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.325 -0.190 18182 3564 1 6 . 1 1 63 63 LYS C C 721 174.783 174.783 175.625 -0.842 18182 3565 1 6 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.599 1.879 18182 3566 1 6 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.816 1.037 18182 3567 1 6 . 1 1 63 63 LYS H H 721 9.100 9.100 8.623 0.477 18182 3568 1 6 . 1 1 64 64 VAL N N 722 123.306 123.306 123.059 0.247 18182 3569 1 6 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.389 -0.131 18182 3570 1 6 . 1 1 64 64 VAL C C 722 174.284 174.284 174.755 -0.471 18182 3571 1 6 . 1 1 64 64 VAL CA C 722 61.293 61.293 60.897 0.397 18182 3572 1 6 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.589 -0.043 18182 3573 1 6 . 1 1 64 64 VAL H H 722 8.441 8.441 8.148 0.293 18182 3574 1 6 . 1 1 65 65 VAL N N 723 126.508 126.508 126.937 -0.429 18182 3575 1 6 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.815 -0.533 18182 3576 1 6 . 1 1 65 65 VAL C C 723 174.127 174.127 174.669 -0.542 18182 3577 1 6 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.392 1.208 18182 3578 1 6 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.793 -0.076 18182 3579 1 6 . 1 1 65 65 VAL H H 723 8.462 8.462 8.067 0.395 18182 3580 1 6 . 1 1 66 66 GLU N N 724 126.016 126.016 128.923 -2.907 18182 3581 1 6 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.716 0.510 18182 3582 1 6 . 1 1 66 66 GLU C C 724 175.409 175.409 175.153 0.256 18182 3583 1 6 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.389 -0.638 18182 3584 1 6 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.228 1.229 18182 3585 1 6 . 1 1 66 66 GLU H H 724 8.619 8.619 8.079 0.540 18182 3586 1 6 . 1 1 67 67 LYS N N 725 125.813 125.813 125.672 0.141 18182 3587 1 6 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.594 -0.097 18182 3588 1 6 . 1 1 67 67 LYS C C 725 175.635 175.635 175.800 -0.165 18182 3589 1 6 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.168 1.255 18182 3590 1 6 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.793 -0.495 18182 3591 1 6 . 1 1 67 67 LYS H H 725 8.740 8.740 8.805 -0.065 18182 3592 1 6 . 1 1 68 68 ASP N N 726 126.958 126.958 122.140 4.818 18182 3593 1 6 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.298 -0.067 18182 3594 1 6 . 1 1 68 68 ASP C C 726 174.341 174.341 175.375 -1.034 18182 3595 1 6 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.381 0.872 18182 3596 1 6 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.942 -0.443 18182 3597 1 6 . 1 1 68 68 ASP H H 726 9.499 9.499 8.935 0.564 18182 3598 1 6 . 1 1 69 69 ASN N N 727 110.214 110.214 113.027 -2.813 18182 3599 1 6 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.129 0.136 18182 3600 1 6 . 1 1 69 69 ASN C C 727 173.779 173.779 173.329 0.450 18182 3601 1 6 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.556 0.133 18182 3602 1 6 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.659 -0.171 18182 3603 1 6 . 1 1 69 69 ASN H H 727 8.348 8.348 8.521 -0.173 18182 3604 1 6 . 1 1 70 70 TRP N N 728 119.007 119.007 116.031 2.976 18182 3605 1 6 . 1 1 70 70 TRP HA H 728 5.390 5.390 4.862 0.528 18182 3606 1 6 . 1 1 70 70 TRP C C 728 174.779 174.779 174.948 -0.169 18182 3607 1 6 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.703 1.123 18182 3608 1 6 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.121 1.433 18182 3609 1 6 . 1 1 70 70 TRP H H 728 8.063 8.063 7.516 0.547 18182 3610 1 6 . 1 1 71 71 ILE N N 729 122.016 122.016 121.928 0.088 18182 3611 1 6 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.329 1.271 18182 3612 1 6 . 1 1 71 71 ILE C C 729 175.184 175.184 173.994 1.190 18182 3613 1 6 . 1 1 71 71 ILE CA C 729 58.854 58.854 60.489 -1.635 18182 3614 1 6 . 1 1 71 71 ILE CB C 729 41.596 41.596 39.867 1.729 18182 3615 1 6 . 1 1 71 71 ILE H H 729 9.378 9.378 9.088 0.290 18182 3616 1 6 . 1 1 72 72 HIS N N 730 121.306 121.306 123.511 -2.205 18182 3617 1 6 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.236 -0.018 18182 3618 1 6 . 1 1 72 72 HIS C C 730 173.714 173.714 174.025 -0.311 18182 3619 1 6 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.456 1.186 18182 3620 1 6 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.952 0.553 18182 3621 1 6 . 1 1 72 72 HIS H H 730 9.048 9.048 8.043 1.005 18182 3622 1 6 . 1 1 73 73 ILE N N 731 112.643 112.643 116.579 -3.936 18182 3623 1 6 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.736 0.201 18182 3624 1 6 . 1 1 73 73 ILE C C 731 175.442 175.442 176.267 -0.825 18182 3625 1 6 . 1 1 73 73 ILE CA C 731 62.678 62.678 61.550 1.128 18182 3626 1 6 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.876 -0.470 18182 3627 1 6 . 1 1 73 73 ILE H H 731 9.499 9.499 8.860 0.639 18182 3628 1 6 . 1 1 74 74 THR N N 732 115.752 115.752 111.028 4.724 18182 3629 1 6 . 1 1 74 74 THR HA H 732 4.812 4.812 4.393 0.419 18182 3630 1 6 . 1 1 74 74 THR C C 732 173.575 173.575 175.669 -2.094 18182 3631 1 6 . 1 1 74 74 THR CA C 732 58.650 58.650 61.172 -2.522 18182 3632 1 6 . 1 1 74 74 THR CB C 732 70.177 70.177 69.408 0.769 18182 3633 1 6 . 1 1 74 74 THR H H 732 8.364 8.364 7.919 0.445 18182 3634 1 6 . 1 1 75 75 GLU N N 733 124.910 124.910 118.609 6.301 18182 3635 1 6 . 1 1 75 75 GLU HA H 733 2.973 2.973 3.677 -0.704 18182 3636 1 6 . 1 1 75 75 GLU C C 733 175.609 175.609 175.196 0.413 18182 3637 1 6 . 1 1 75 75 GLU CA C 733 58.662 58.662 57.792 0.870 18182 3638 1 6 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.362 0.601 18182 3639 1 6 . 1 1 75 75 GLU H H 733 8.754 8.754 8.793 -0.039 18182 3640 1 6 . 1 1 76 76 ALA N N 734 117.847 117.847 118.564 -0.717 18182 3641 1 6 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.246 -0.306 18182 3642 1 6 . 1 1 76 76 ALA C C 734 177.033 177.033 176.680 0.353 18182 3643 1 6 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.593 0.581 18182 3644 1 6 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.361 -0.868 18182 3645 1 6 . 1 1 76 76 ALA H H 734 7.538 7.538 7.686 -0.148 18182 3646 1 6 . 1 1 77 77 LYS N N 735 119.518 119.518 122.154 -2.636 18182 3647 1 6 . 1 1 77 77 LYS HA H 735 4.111 4.111 3.879 0.232 18182 3648 1 6 . 1 1 77 77 LYS C C 735 171.953 171.953 174.994 -3.041 18182 3649 1 6 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.240 -0.541 18182 3650 1 6 . 1 1 77 77 LYS CB C 735 33.285 33.285 31.377 1.908 18182 3651 1 6 . 1 1 77 77 LYS H H 735 7.326 7.326 7.549 -0.223 18182 3652 1 6 . 1 1 78 78 LYS N N 736 123.200 123.200 123.299 -0.099 18182 3653 1 6 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.194 0.537 18182 3654 1 6 . 1 1 78 78 LYS C C 736 175.123 175.123 175.711 -0.588 18182 3655 1 6 . 1 1 78 78 LYS CA C 736 55.110 55.110 56.236 -1.127 18182 3656 1 6 . 1 1 78 78 LYS CB C 736 34.970 34.970 32.510 2.460 18182 3657 1 6 . 1 1 78 78 LYS H H 736 7.893 7.893 7.602 0.291 18182 3658 1 6 . 1 1 79 79 PHE N N 737 117.916 117.916 125.292 -7.376 18182 3659 1 6 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.650 0.344 18182 3660 1 6 . 1 1 79 79 PHE C C 737 175.595 175.595 176.161 -0.566 18182 3661 1 6 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.002 -0.061 18182 3662 1 6 . 1 1 79 79 PHE CB C 737 43.413 43.413 41.847 1.565 18182 3663 1 6 . 1 1 79 79 PHE H H 737 9.121 9.121 9.168 -0.047 18182 3664 1 6 . 1 1 80 80 ASP N N 738 119.341 119.341 120.826 -1.485 18182 3665 1 6 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.089 -0.340 18182 3666 1 6 . 1 1 80 80 ASP C C 738 176.035 176.035 176.426 -0.391 18182 3667 1 6 . 1 1 80 80 ASP CA C 738 55.712 55.712 56.084 -0.372 18182 3668 1 6 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.948 -0.239 18182 3669 1 6 . 1 1 80 80 ASP H H 738 9.377 9.377 8.952 0.425 18182 3670 1 6 . 1 1 81 81 SER N N 739 108.518 108.518 110.010 -1.492 18182 3671 1 6 . 1 1 81 81 SER HA H 739 4.694 4.694 4.765 -0.071 18182 3672 1 6 . 1 1 81 81 SER C C 739 173.791 173.791 174.273 -0.482 18182 3673 1 6 . 1 1 81 81 SER CA C 739 57.049 57.049 57.579 -0.530 18182 3674 1 6 . 1 1 81 81 SER CB C 739 66.839 66.839 65.170 1.669 18182 3675 1 6 . 1 1 81 81 SER H H 739 7.447 7.447 7.676 -0.229 18182 3676 1 6 . 1 1 82 82 LEU N N 740 122.626 122.626 124.861 -2.235 18182 3677 1 6 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.307 -0.496 18182 3678 1 6 . 1 1 82 82 LEU C C 740 177.172 177.172 177.586 -0.414 18182 3679 1 6 . 1 1 82 82 LEU CA C 740 57.469 57.469 57.727 -0.258 18182 3680 1 6 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.162 -1.343 18182 3681 1 6 . 1 1 82 82 LEU H H 740 8.969 8.969 8.865 0.104 18182 3682 1 6 . 1 1 83 83 LEU N N 741 116.575 116.575 119.473 -2.898 18182 3683 1 6 . 1 1 83 83 LEU HA H 741 3.837 3.837 4.010 -0.173 18182 3684 1 6 . 1 1 83 83 LEU C C 741 177.492 177.492 178.910 -1.418 18182 3685 1 6 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.768 -0.504 18182 3686 1 6 . 1 1 83 83 LEU CB C 741 41.929 41.929 40.547 1.382 18182 3687 1 6 . 1 1 83 83 LEU H H 741 7.770 7.770 7.863 -0.093 18182 3688 1 6 . 1 1 84 84 GLU N N 742 116.865 116.865 118.966 -2.101 18182 3689 1 6 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.942 -0.024 18182 3690 1 6 . 1 1 84 84 GLU C C 742 178.252 178.252 178.925 -0.673 18182 3691 1 6 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.373 0.018 18182 3692 1 6 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.123 1.336 18182 3693 1 6 . 1 1 84 84 GLU H H 742 7.585 7.585 7.885 -0.300 18182 3694 1 6 . 1 1 85 85 LEU N N 743 122.164 122.164 119.731 2.433 18182 3695 1 6 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.669 -0.641 18182 3696 1 6 . 1 1 85 85 LEU C C 743 177.335 177.335 178.408 -1.073 18182 3697 1 6 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.234 1.537 18182 3698 1 6 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.912 -0.085 18182 3699 1 6 . 1 1 85 85 LEU H H 743 7.109 7.109 7.029 0.080 18182 3700 1 6 . 1 1 86 86 VAL N N 744 119.760 119.760 118.975 0.785 18182 3701 1 6 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.524 -0.671 18182 3702 1 6 . 1 1 86 86 VAL C C 744 177.675 177.675 178.342 -0.667 18182 3703 1 6 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.578 0.535 18182 3704 1 6 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.691 0.420 18182 3705 1 6 . 1 1 86 86 VAL H H 744 8.113 8.113 8.453 -0.340 18182 3706 1 6 . 1 1 87 87 GLU N N 745 116.227 116.227 119.555 -3.328 18182 3707 1 6 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.798 -0.036 18182 3708 1 6 . 1 1 87 87 GLU C C 745 179.530 179.530 179.054 0.476 18182 3709 1 6 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.786 -0.348 18182 3710 1 6 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.276 -0.124 18182 3711 1 6 . 1 1 87 87 GLU H H 745 8.182 8.182 8.466 -0.284 18182 3712 1 6 . 1 1 88 88 TYR N N 746 120.102 120.102 120.696 -0.594 18182 3713 1 6 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.010 0.137 18182 3714 1 6 . 1 1 88 88 TYR C C 746 179.970 179.970 178.015 1.955 18182 3715 1 6 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.019 0.711 18182 3716 1 6 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.461 0.427 18182 3717 1 6 . 1 1 88 88 TYR H H 746 7.795 7.795 7.563 0.232 18182 3718 1 6 . 1 1 89 89 TYR N N 747 118.508 118.508 117.887 0.621 18182 3719 1 6 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.649 0.452 18182 3720 1 6 . 1 1 89 89 TYR C C 747 175.885 175.885 178.501 -2.616 18182 3721 1 6 . 1 1 89 89 TYR CA C 747 61.177 61.177 59.413 1.764 18182 3722 1 6 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.885 -0.842 18182 3723 1 6 . 1 1 89 89 TYR H H 747 7.798 7.798 7.821 -0.023 18182 3724 1 6 . 1 1 90 90 GLN N N 748 118.741 118.741 118.853 -0.112 18182 3725 1 6 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.743 0.677 18182 3726 1 6 . 1 1 90 90 GLN C C 748 177.767 177.767 176.694 1.073 18182 3727 1 6 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.804 -0.933 18182 3728 1 6 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.485 0.188 18182 3729 1 6 . 1 1 90 90 GLN H H 748 7.925 7.925 8.196 -0.271 18182 3730 1 6 . 1 1 91 91 CYS N N 749 111.312 111.312 113.553 -2.241 18182 3731 1 6 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.276 0.365 18182 3732 1 6 . 1 1 91 91 CYS C C 749 173.010 173.010 174.778 -1.768 18182 3733 1 6 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.032 -0.497 18182 3734 1 6 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.268 -0.089 18182 3735 1 6 . 1 1 91 91 CYS H H 749 7.178 7.178 7.229 -0.051 18182 3736 1 6 . 1 1 92 92 HIS N N 750 120.386 120.386 119.054 1.332 18182 3737 1 6 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.553 -0.185 18182 3738 1 6 . 1 1 92 92 HIS C C 750 171.815 171.815 174.184 -2.369 18182 3739 1 6 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.792 0.376 18182 3740 1 6 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.811 -1.506 18182 3741 1 6 . 1 1 92 92 HIS H H 750 7.540 7.540 7.864 -0.324 18182 3742 1 6 . 1 1 93 93 SER N N 751 113.259 113.259 116.226 -2.967 18182 3743 1 6 . 1 1 93 93 SER HA H 751 3.812 3.812 4.370 -0.558 18182 3744 1 6 . 1 1 93 93 SER C C 751 176.644 176.644 175.874 0.770 18182 3745 1 6 . 1 1 93 93 SER CA C 751 58.040 58.040 58.378 -0.338 18182 3746 1 6 . 1 1 93 93 SER CB C 751 62.954 62.954 63.889 -0.935 18182 3747 1 6 . 1 1 93 93 SER H H 751 8.397 8.397 8.730 -0.333 18182 3748 1 6 . 1 1 94 94 LEU N N 752 127.166 127.166 126.366 0.800 18182 3749 1 6 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.160 -0.020 18182 3750 1 6 . 1 1 94 94 LEU C C 752 177.462 177.462 177.631 -0.169 18182 3751 1 6 . 1 1 94 94 LEU CA C 752 58.300 58.300 56.108 2.192 18182 3752 1 6 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.075 1.257 18182 3753 1 6 . 1 1 94 94 LEU H H 752 8.580 8.580 8.331 0.249 18182 3754 1 6 . 1 1 95 95 LYS N N 753 122.119 122.119 119.281 2.838 18182 3755 1 6 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.484 -0.044 18182 3756 1 6 . 1 1 95 95 LYS C C 753 176.253 176.253 178.674 -2.421 18182 3757 1 6 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.611 -1.381 18182 3758 1 6 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.843 0.501 18182 3759 1 6 . 1 1 95 95 LYS H H 753 8.322 8.322 7.609 0.713 18182 3760 1 6 . 1 1 96 96 GLU N N 754 115.310 115.310 119.312 -4.002 18182 3761 1 6 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.061 0.076 18182 3762 1 6 . 1 1 96 96 GLU C C 754 176.704 176.704 177.806 -1.102 18182 3763 1 6 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.715 -0.226 18182 3764 1 6 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.360 0.317 18182 3765 1 6 . 1 1 96 96 GLU H H 754 7.197 7.197 7.884 -0.687 18182 3766 1 6 . 1 1 97 97 SER N N 755 113.390 113.390 114.083 -0.693 18182 3767 1 6 . 1 1 97 97 SER HA H 755 4.583 4.583 4.291 0.292 18182 3768 1 6 . 1 1 97 97 SER C C 755 171.185 171.185 174.530 -3.345 18182 3769 1 6 . 1 1 97 97 SER CA C 755 59.569 59.569 59.929 -0.360 18182 3770 1 6 . 1 1 97 97 SER CB C 755 66.435 66.435 64.001 2.434 18182 3771 1 6 . 1 1 97 97 SER H H 755 7.857 7.857 7.726 0.131 18182 3772 1 6 . 1 1 98 98 PHE N N 756 121.328 121.328 121.089 0.239 18182 3773 1 6 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.791 -0.026 18182 3774 1 6 . 1 1 98 98 PHE C C 756 175.774 175.774 175.493 0.281 18182 3775 1 6 . 1 1 98 98 PHE CA C 756 56.871 56.871 55.925 0.945 18182 3776 1 6 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.436 1.275 18182 3777 1 6 . 1 1 98 98 PHE H H 756 8.409 8.409 8.176 0.233 18182 3778 1 6 . 1 1 99 99 LYS N N 757 121.656 121.656 125.273 -3.617 18182 3779 1 6 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.150 -0.037 18182 3780 1 6 . 1 1 99 99 LYS C C 757 177.188 177.188 177.530 -0.342 18182 3781 1 6 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.102 0.634 18182 3782 1 6 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.122 0.234 18182 3783 1 6 . 1 1 99 99 LYS H H 757 8.602 8.602 8.755 -0.153 18182 3784 1 6 . 1 1 100 100 GLN N N 758 115.783 115.783 118.051 -2.268 18182 3785 1 6 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.239 0.144 18182 3786 1 6 . 1 1 100 100 GLN C C 758 175.849 175.849 176.108 -0.259 18182 3787 1 6 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.095 -1.263 18182 3788 1 6 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.930 -0.613 18182 3789 1 6 . 1 1 100 100 GLN H H 758 9.139 9.139 8.327 0.812 18182 3790 1 6 . 1 1 101 101 LEU N N 759 124.876 124.876 119.287 5.589 18182 3791 1 6 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.542 -0.850 18182 3792 1 6 . 1 1 101 101 LEU C C 759 173.219 173.219 175.775 -2.556 18182 3793 1 6 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.438 -1.990 18182 3794 1 6 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.201 -1.213 18182 3795 1 6 . 1 1 101 101 LEU H H 759 7.924 7.924 7.745 0.179 18182 3796 1 6 . 1 1 102 102 ASP N N 760 119.263 119.263 117.054 2.209 18182 3797 1 6 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.613 -0.046 18182 3798 1 6 . 1 1 102 102 ASP C C 760 173.570 173.570 173.978 -0.408 18182 3799 1 6 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.624 -1.749 18182 3800 1 6 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.633 -2.604 18182 3801 1 6 . 1 1 102 102 ASP H H 760 6.564 6.564 7.538 -0.974 18182 3802 1 6 . 1 1 103 103 THR N N 761 117.311 117.311 113.306 4.005 18182 3803 1 6 . 1 1 103 103 THR HA H 761 4.701 4.701 4.353 0.348 18182 3804 1 6 . 1 1 103 103 THR C C 761 172.169 172.169 172.780 -0.611 18182 3805 1 6 . 1 1 103 103 THR CA C 761 60.491 60.491 60.254 0.237 18182 3806 1 6 . 1 1 103 103 THR CB C 761 69.358 69.358 70.466 -1.108 18182 3807 1 6 . 1 1 103 103 THR H H 761 7.699 7.699 7.472 0.227 18182 3808 1 6 . 1 1 104 104 THR N N 762 114.211 114.211 113.035 1.176 18182 3809 1 6 . 1 1 104 104 THR HA H 762 4.603 4.603 4.491 0.112 18182 3810 1 6 . 1 1 104 104 THR C C 762 175.647 175.647 173.343 2.304 18182 3811 1 6 . 1 1 104 104 THR CA C 762 60.899 60.899 60.261 0.638 18182 3812 1 6 . 1 1 104 104 THR CB C 762 70.981 70.981 71.476 -0.495 18182 3813 1 6 . 1 1 104 104 THR H H 762 7.300 7.300 8.173 -0.873 18182 3814 1 6 . 1 1 105 105 LEU N N 763 117.640 117.640 120.823 -3.183 18182 3815 1 6 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.955 -0.432 18182 3816 1 6 . 1 1 105 105 LEU C C 763 174.500 174.500 175.889 -1.389 18182 3817 1 6 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.455 -0.300 18182 3818 1 6 . 1 1 105 105 LEU CB C 763 35.747 35.747 40.684 -4.937 18182 3819 1 6 . 1 1 105 105 LEU H H 763 8.113 8.113 8.143 -0.030 18182 3820 1 6 . 1 1 106 106 LYS N N 764 127.345 127.345 122.274 5.071 18182 3821 1 6 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.296 -0.285 18182 3822 1 6 . 1 1 106 106 LYS C C 764 176.781 176.781 175.653 1.128 18182 3823 1 6 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.532 3.357 18182 3824 1 6 . 1 1 106 106 LYS CB C 764 35.223 35.223 35.012 0.211 18182 3825 1 6 . 1 1 106 106 LYS H H 764 7.181 7.181 8.390 -1.209 18182 3826 1 6 . 1 1 107 107 TYR N N 765 115.756 115.756 119.966 -4.210 18182 3827 1 6 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.023 0.498 18182 3828 1 6 . 1 1 107 107 TYR C C 765 172.106 172.106 172.892 -0.786 18182 3829 1 6 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.633 -3.013 18182 3830 1 6 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.902 1.616 18182 3831 1 6 . 1 1 107 107 TYR H H 765 7.877 7.877 7.915 -0.038 18182 3832 1 6 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.169 -0.496 18182 3833 1 6 . 1 1 108 108 PRO C C 766 180.696 180.696 176.323 4.373 18182 3834 1 6 . 1 1 108 108 PRO CA C 766 62.611 62.611 62.178 0.433 18182 3835 1 6 . 1 1 109 109 TYR N N 767 122.570 122.570 115.222 7.348 18182 3836 1 6 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.301 -0.484 18182 3837 1 6 . 1 1 109 109 TYR C C 767 174.769 174.769 177.255 -2.486 18182 3838 1 6 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.902 1.281 18182 3839 1 6 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.248 -0.781 18182 3840 1 6 . 1 1 109 109 TYR H H 767 8.341 8.341 8.267 0.074 18182 3841 1 6 . 1 1 110 110 LYS N N 768 118.398 118.398 119.690 -1.292 18182 3842 1 6 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.338 -0.396 18182 3843 1 6 . 1 1 110 110 LYS C C 768 176.453 176.453 176.093 0.360 18182 3844 1 6 . 1 1 110 110 LYS CA C 768 56.901 56.901 55.994 0.907 18182 3845 1 6 . 1 1 110 110 LYS CB C 768 32.581 32.581 30.856 1.725 18182 3846 1 6 . 1 1 110 110 LYS H H 768 6.790 6.790 7.356 -0.566 18182 3847 1 6 . 1 1 111 111 SER N N 769 114.260 114.260 116.260 -2.000 18182 3848 1 6 . 1 1 111 111 SER HA H 769 4.384 4.384 4.401 -0.017 18182 3849 1 6 . 1 1 111 111 SER C C 769 174.124 174.124 174.536 -0.412 18182 3850 1 6 . 1 1 111 111 SER CA C 769 58.802 58.802 58.156 0.646 18182 3851 1 6 . 1 1 111 111 SER CB C 769 64.206 64.206 61.953 2.253 18182 3852 1 6 . 1 1 111 111 SER H H 769 7.769 7.769 7.840 -0.071 18182 3853 1 6 . 1 1 112 112 ARG N N 770 122.485 122.485 125.596 -3.111 18182 3854 1 6 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.615 -0.237 18182 3855 1 6 . 1 1 112 112 ARG C C 770 175.139 175.139 175.367 -0.228 18182 3856 1 6 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.805 -0.177 18182 3857 1 6 . 1 1 112 112 ARG CB C 770 30.935 30.935 32.029 -1.094 18182 3858 1 6 . 1 1 112 112 ARG H H 770 8.109 8.109 8.064 0.045 18182 3859 1 7 . 1 1 2 2 ARG N N 660 123.565 123.565 122.192 1.373 18182 3860 1 7 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.474 0.156 18182 3861 1 7 . 1 1 2 2 ARG C C 660 173.529 173.529 175.504 -1.975 18182 3862 1 7 . 1 1 2 2 ARG CA C 660 53.869 53.869 57.697 -3.828 18182 3863 1 7 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.205 1.223 18182 3864 1 7 . 1 1 2 2 ARG H H 660 8.295 8.295 8.153 0.142 18182 3865 1 7 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.413 0.259 18182 3866 1 7 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.521 -0.109 18182 3867 1 7 . 1 1 4 4 PRO C C 662 177.096 177.096 175.961 1.135 18182 3868 1 7 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.021 0.275 18182 3869 1 7 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.606 -0.584 18182 3870 1 7 . 1 1 5 5 SER N N 663 116.025 116.025 115.514 0.511 18182 3871 1 7 . 1 1 5 5 SER HA H 663 4.374 4.374 4.565 -0.191 18182 3872 1 7 . 1 1 5 5 SER C C 663 174.815 174.815 174.025 0.790 18182 3873 1 7 . 1 1 5 5 SER CA C 663 58.797 58.797 57.250 1.547 18182 3874 1 7 . 1 1 5 5 SER CB C 663 64.024 64.024 65.223 -1.199 18182 3875 1 7 . 1 1 5 5 SER H H 663 8.406 8.406 8.101 0.305 18182 3876 1 7 . 1 1 6 6 ARG N N 664 122.062 122.062 121.882 0.180 18182 3877 1 7 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.231 0.148 18182 3878 1 7 . 1 1 6 6 ARG C C 664 175.958 175.958 175.904 0.054 18182 3879 1 7 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.700 -0.564 18182 3880 1 7 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.497 0.215 18182 3881 1 7 . 1 1 6 6 ARG H H 664 8.371 8.371 8.614 -0.243 18182 3882 1 7 . 1 1 7 7 GLU N N 665 122.160 122.160 125.402 -3.242 18182 3883 1 7 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.264 0.049 18182 3884 1 7 . 1 1 7 7 GLU C C 665 175.842 175.842 176.024 -0.182 18182 3885 1 7 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.607 -0.197 18182 3886 1 7 . 1 1 7 7 GLU CB C 665 29.972 29.972 29.685 0.287 18182 3887 1 7 . 1 1 7 7 GLU H H 665 8.352 8.352 8.594 -0.242 18182 3888 1 7 . 1 1 8 8 ILE N N 666 123.828 123.828 126.484 -2.656 18182 3889 1 7 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.246 -0.406 18182 3890 1 7 . 1 1 8 8 ILE C C 666 174.373 174.373 175.514 -1.141 18182 3891 1 7 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.587 0.340 18182 3892 1 7 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.277 0.264 18182 3893 1 7 . 1 1 8 8 ILE H H 666 7.938 7.938 7.973 -0.035 18182 3894 1 7 . 1 1 9 9 ASP N N 667 124.338 124.338 128.461 -4.123 18182 3895 1 7 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.729 -0.110 18182 3896 1 7 . 1 1 9 9 ASP C C 667 177.006 177.006 176.792 0.214 18182 3897 1 7 . 1 1 9 9 ASP CA C 667 52.052 52.052 54.079 -2.027 18182 3898 1 7 . 1 1 9 9 ASP CB C 667 40.364 40.364 41.197 -0.834 18182 3899 1 7 . 1 1 9 9 ASP H H 667 8.111 8.111 8.729 -0.618 18182 3900 1 7 . 1 1 10 10 TYR N N 668 125.199 125.199 124.013 1.186 18182 3901 1 7 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.442 -0.254 18182 3902 1 7 . 1 1 10 10 TYR C C 668 175.947 175.947 176.944 -0.997 18182 3903 1 7 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.027 0.656 18182 3904 1 7 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.766 -1.530 18182 3905 1 7 . 1 1 10 10 TYR H H 668 8.495 8.495 8.571 -0.076 18182 3906 1 7 . 1 1 11 11 THR N N 669 108.617 108.617 111.691 -3.074 18182 3907 1 7 . 1 1 11 11 THR HA H 669 4.148 4.148 3.834 0.314 18182 3908 1 7 . 1 1 11 11 THR C C 669 175.184 175.184 175.251 -0.067 18182 3909 1 7 . 1 1 11 11 THR CA C 669 65.022 65.022 64.783 0.239 18182 3910 1 7 . 1 1 11 11 THR CB C 669 69.280 69.280 68.030 1.250 18182 3911 1 7 . 1 1 11 11 THR H H 669 8.011 8.011 7.943 0.068 18182 3912 1 7 . 1 1 12 12 ALA N N 670 121.275 121.275 123.145 -1.870 18182 3913 1 7 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.028 0.048 18182 3914 1 7 . 1 1 12 12 ALA C C 670 177.815 177.815 177.721 0.094 18182 3915 1 7 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.988 -0.432 18182 3916 1 7 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.385 0.489 18182 3917 1 7 . 1 1 12 12 ALA H H 670 7.411 7.411 7.219 0.192 18182 3918 1 7 . 1 1 13 13 TYR N N 671 117.883 117.883 118.005 -0.122 18182 3919 1 7 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.116 0.185 18182 3920 1 7 . 1 1 13 13 TYR C C 671 176.698 176.698 174.505 2.193 18182 3921 1 7 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.616 0.370 18182 3922 1 7 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.162 -0.347 18182 3923 1 7 . 1 1 13 13 TYR H H 671 7.538 7.538 7.115 0.423 18182 3924 1 7 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.214 0.142 18182 3925 1 7 . 1 1 14 14 PRO C C 672 173.452 173.452 176.765 -3.313 18182 3926 1 7 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.172 0.151 18182 3927 1 7 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.327 -1.104 18182 3928 1 7 . 1 1 15 15 TRP N N 673 110.044 110.044 113.703 -3.659 18182 3929 1 7 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.712 0.080 18182 3930 1 7 . 1 1 15 15 TRP C C 673 175.577 175.577 175.250 0.327 18182 3931 1 7 . 1 1 15 15 TRP CA C 673 53.157 53.157 55.208 -2.051 18182 3932 1 7 . 1 1 15 15 TRP CB C 673 32.373 32.373 29.388 2.985 18182 3933 1 7 . 1 1 15 15 TRP H H 673 6.229 6.229 7.066 -0.837 18182 3934 1 7 . 1 1 16 16 PHE N N 674 123.205 123.205 122.026 1.179 18182 3935 1 7 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.559 0.612 18182 3936 1 7 . 1 1 16 16 PHE C C 674 174.832 174.832 173.930 0.902 18182 3937 1 7 . 1 1 16 16 PHE CA C 674 59.872 59.872 58.508 1.365 18182 3938 1 7 . 1 1 16 16 PHE CB C 674 40.208 40.208 39.825 0.383 18182 3939 1 7 . 1 1 16 16 PHE H H 674 7.625 7.625 6.987 0.638 18182 3940 1 7 . 1 1 17 17 ALA N N 675 130.669 130.669 128.800 1.869 18182 3941 1 7 . 1 1 17 17 ALA HA H 675 4.948 4.948 5.045 -0.097 18182 3942 1 7 . 1 1 17 17 ALA C C 675 177.266 177.266 176.047 1.219 18182 3943 1 7 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.308 0.960 18182 3944 1 7 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.851 0.577 18182 3945 1 7 . 1 1 17 17 ALA H H 675 9.097 9.097 8.123 0.974 18182 3946 1 7 . 1 1 18 18 GLY C C 676 174.230 174.230 174.048 0.182 18182 3947 1 7 . 1 1 18 18 GLY CA C 676 46.930 46.930 43.538 3.392 18182 3948 1 7 . 1 1 19 19 ASN N N 677 124.910 124.910 121.026 3.884 18182 3949 1 7 . 1 1 19 19 ASN HA H 677 4.894 4.894 5.018 -0.124 18182 3950 1 7 . 1 1 19 19 ASN C C 677 174.597 174.597 174.704 -0.107 18182 3951 1 7 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.113 -0.171 18182 3952 1 7 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.815 -0.856 18182 3953 1 7 . 1 1 19 19 ASN H H 677 8.682 8.682 8.563 0.119 18182 3954 1 7 . 1 1 20 20 MET N N 678 122.347 122.347 122.463 -0.116 18182 3955 1 7 . 1 1 20 20 MET HA H 678 4.115 4.115 4.596 -0.481 18182 3956 1 7 . 1 1 20 20 MET C C 678 175.451 175.451 175.215 0.236 18182 3957 1 7 . 1 1 20 20 MET CA C 678 56.675 56.675 54.824 1.851 18182 3958 1 7 . 1 1 20 20 MET CB C 678 35.208 35.208 34.373 0.835 18182 3959 1 7 . 1 1 20 20 MET H H 678 7.006 7.006 7.670 -0.664 18182 3960 1 7 . 1 1 21 21 GLU N N 679 124.989 124.989 120.935 4.054 18182 3961 1 7 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.386 -0.095 18182 3962 1 7 . 1 1 21 21 GLU C C 679 178.232 178.232 176.892 1.340 18182 3963 1 7 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.926 0.201 18182 3964 1 7 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.684 0.248 18182 3965 1 7 . 1 1 21 21 GLU H H 679 8.761 8.761 8.606 0.155 18182 3966 1 7 . 1 1 22 22 ARG N N 680 125.521 125.521 122.457 3.064 18182 3967 1 7 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.944 -0.608 18182 3968 1 7 . 1 1 22 22 ARG C C 680 177.707 177.707 178.155 -0.448 18182 3969 1 7 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.912 1.132 18182 3970 1 7 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.812 0.245 18182 3971 1 7 . 1 1 22 22 ARG H H 680 9.406 9.406 8.826 0.580 18182 3972 1 7 . 1 1 23 23 GLN N N 681 117.320 117.320 117.942 -0.622 18182 3973 1 7 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.013 0.052 18182 3974 1 7 . 1 1 23 23 GLN C C 681 178.317 178.317 178.293 0.024 18182 3975 1 7 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.867 0.884 18182 3976 1 7 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.380 0.404 18182 3977 1 7 . 1 1 23 23 GLN H H 681 9.048 9.048 8.667 0.381 18182 3978 1 7 . 1 1 24 24 GLN N N 682 117.909 117.909 118.997 -1.088 18182 3979 1 7 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.136 -0.015 18182 3980 1 7 . 1 1 24 24 GLN C C 682 178.190 178.190 178.580 -0.390 18182 3981 1 7 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.170 -0.428 18182 3982 1 7 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.503 -0.188 18182 3983 1 7 . 1 1 24 24 GLN H H 682 7.182 7.182 8.283 -1.101 18182 3984 1 7 . 1 1 25 25 THR N N 683 117.007 117.007 115.990 1.017 18182 3985 1 7 . 1 1 25 25 THR HA H 683 3.681 3.681 3.990 -0.309 18182 3986 1 7 . 1 1 25 25 THR C C 683 175.786 175.786 176.599 -0.813 18182 3987 1 7 . 1 1 25 25 THR CA C 683 67.702 67.702 66.972 0.730 18182 3988 1 7 . 1 1 25 25 THR CB C 683 68.000 68.000 67.858 0.142 18182 3989 1 7 . 1 1 25 25 THR H H 683 7.903 7.903 8.160 -0.257 18182 3990 1 7 . 1 1 26 26 ASP N N 684 122.824 122.824 120.818 2.006 18182 3991 1 7 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.397 -0.117 18182 3992 1 7 . 1 1 26 26 ASP C C 684 178.269 178.269 178.349 -0.080 18182 3993 1 7 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.699 0.437 18182 3994 1 7 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.922 -0.744 18182 3995 1 7 . 1 1 26 26 ASP H H 684 8.430 8.430 8.484 -0.054 18182 3996 1 7 . 1 1 27 27 ASN N N 685 115.634 115.634 118.082 -2.448 18182 3997 1 7 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.579 -0.220 18182 3998 1 7 . 1 1 27 27 ASN C C 685 177.065 177.065 177.897 -0.832 18182 3999 1 7 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.108 0.803 18182 4000 1 7 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.589 -0.083 18182 4001 1 7 . 1 1 27 27 ASN H H 685 7.647 7.647 7.935 -0.288 18182 4002 1 7 . 1 1 28 28 LEU N N 686 120.594 120.594 121.526 -0.932 18182 4003 1 7 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.204 0.025 18182 4004 1 7 . 1 1 28 28 LEU C C 686 179.502 179.502 178.836 0.666 18182 4005 1 7 . 1 1 28 28 LEU CA C 686 57.980 57.980 57.995 -0.015 18182 4006 1 7 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.397 0.706 18182 4007 1 7 . 1 1 28 28 LEU H H 686 8.093 8.093 8.218 -0.125 18182 4008 1 7 . 1 1 29 29 LEU N N 687 115.149 115.149 118.137 -2.988 18182 4009 1 7 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.232 -0.150 18182 4010 1 7 . 1 1 29 29 LEU C C 687 178.910 178.910 179.249 -0.339 18182 4011 1 7 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.866 0.051 18182 4012 1 7 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.326 1.572 18182 4013 1 7 . 1 1 29 29 LEU H H 687 8.386 8.386 8.386 0.000 18182 4014 1 7 . 1 1 30 30 LYS N N 688 118.086 118.086 119.007 -0.921 18182 4015 1 7 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.104 -0.366 18182 4016 1 7 . 1 1 30 30 LYS C C 688 177.312 177.312 177.932 -0.620 18182 4017 1 7 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.286 1.223 18182 4018 1 7 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.316 -0.227 18182 4019 1 7 . 1 1 30 30 LYS H H 688 7.752 7.752 7.689 0.063 18182 4020 1 7 . 1 1 31 31 SER N N 689 111.134 111.134 113.380 -2.246 18182 4021 1 7 . 1 1 31 31 SER HA H 689 4.460 4.460 4.667 -0.207 18182 4022 1 7 . 1 1 31 31 SER C C 689 174.501 174.501 173.181 1.320 18182 4023 1 7 . 1 1 31 31 SER CA C 689 58.559 58.559 58.098 0.461 18182 4024 1 7 . 1 1 31 31 SER CB C 689 63.528 63.528 63.289 0.239 18182 4025 1 7 . 1 1 31 31 SER H H 689 7.629 7.629 7.656 -0.027 18182 4026 1 7 . 1 1 32 32 HIS N N 690 120.218 120.218 120.481 -0.263 18182 4027 1 7 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.732 -0.076 18182 4028 1 7 . 1 1 32 32 HIS C C 690 173.855 173.855 173.738 0.117 18182 4029 1 7 . 1 1 32 32 HIS CA C 690 56.219 56.219 55.666 0.554 18182 4030 1 7 . 1 1 32 32 HIS CB C 690 31.924 31.924 32.500 -0.576 18182 4031 1 7 . 1 1 32 32 HIS H H 690 7.701 7.701 7.808 -0.107 18182 4032 1 7 . 1 1 33 33 ALA N N 691 120.317 120.317 124.049 -3.732 18182 4033 1 7 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.459 -0.128 18182 4034 1 7 . 1 1 33 33 ALA C C 691 179.494 179.494 176.757 2.737 18182 4035 1 7 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.524 0.326 18182 4036 1 7 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.254 -0.209 18182 4037 1 7 . 1 1 33 33 ALA H H 691 8.453 8.453 8.443 0.010 18182 4038 1 7 . 1 1 34 34 SER N N 692 117.274 117.274 116.256 1.018 18182 4039 1 7 . 1 1 34 34 SER HA H 692 4.089 4.089 4.178 -0.089 18182 4040 1 7 . 1 1 34 34 SER C C 692 175.336 175.336 174.901 0.435 18182 4041 1 7 . 1 1 34 34 SER CA C 692 60.531 60.531 60.183 0.348 18182 4042 1 7 . 1 1 34 34 SER CB C 692 63.308 63.308 62.885 0.423 18182 4043 1 7 . 1 1 34 34 SER H H 692 8.997 8.997 8.447 0.550 18182 4044 1 7 . 1 1 35 35 GLY N N 693 113.573 113.573 114.204 -0.631 18182 4045 1 7 . 1 1 35 35 GLY C C 693 174.808 174.808 174.121 0.687 18182 4046 1 7 . 1 1 35 35 GLY CA C 693 44.859 44.859 44.866 -0.007 18182 4047 1 7 . 1 1 35 35 GLY H H 693 9.926 9.926 8.534 1.392 18182 4048 1 7 . 1 1 36 36 THR N N 694 121.076 121.076 119.423 1.653 18182 4049 1 7 . 1 1 36 36 THR HA H 694 5.962 5.962 5.568 0.394 18182 4050 1 7 . 1 1 36 36 THR C C 694 173.297 173.297 173.862 -0.565 18182 4051 1 7 . 1 1 36 36 THR CA C 694 63.612 63.612 63.182 0.430 18182 4052 1 7 . 1 1 36 36 THR CB C 694 68.317 68.317 69.397 -1.080 18182 4053 1 7 . 1 1 36 36 THR H H 694 8.291 8.291 7.479 0.812 18182 4054 1 7 . 1 1 37 37 TYR N N 695 123.616 123.616 123.483 0.133 18182 4055 1 7 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.715 0.326 18182 4056 1 7 . 1 1 37 37 TYR C C 695 171.831 171.831 173.117 -1.286 18182 4057 1 7 . 1 1 37 37 TYR CA C 695 55.305 55.305 55.058 0.247 18182 4058 1 7 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.932 2.427 18182 4059 1 7 . 1 1 37 37 TYR H H 695 8.805 8.805 8.748 0.057 18182 4060 1 7 . 1 1 38 38 LEU N N 696 115.449 115.449 115.116 0.333 18182 4061 1 7 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.226 -0.067 18182 4062 1 7 . 1 1 38 38 LEU C C 696 174.331 174.331 174.421 -0.090 18182 4063 1 7 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.633 -0.776 18182 4064 1 7 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.667 1.226 18182 4065 1 7 . 1 1 38 38 LEU H H 696 9.105 9.105 8.101 1.004 18182 4066 1 7 . 1 1 39 39 ILE N N 697 121.911 121.911 118.268 3.643 18182 4067 1 7 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.946 0.473 18182 4068 1 7 . 1 1 39 39 ILE C C 697 173.476 173.476 174.707 -1.231 18182 4069 1 7 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.240 -0.315 18182 4070 1 7 . 1 1 39 39 ILE CB C 697 38.929 38.929 41.658 -2.729 18182 4071 1 7 . 1 1 39 39 ILE H H 697 9.313 9.313 7.987 1.326 18182 4072 1 7 . 1 1 40 40 ARG N N 698 122.878 122.878 124.011 -1.133 18182 4073 1 7 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.781 0.511 18182 4074 1 7 . 1 1 40 40 ARG C C 698 174.308 174.308 174.612 -0.304 18182 4075 1 7 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.943 -2.199 18182 4076 1 7 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.179 0.338 18182 4077 1 7 . 1 1 40 40 ARG H H 698 9.185 9.185 9.003 0.182 18182 4078 1 7 . 1 1 41 41 GLU N N 699 122.405 122.405 120.972 1.433 18182 4079 1 7 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.555 0.342 18182 4080 1 7 . 1 1 41 41 GLU C C 699 176.242 176.242 175.163 1.079 18182 4081 1 7 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.724 -0.198 18182 4082 1 7 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.467 -0.334 18182 4083 1 7 . 1 1 41 41 GLU H H 699 8.634 8.634 8.168 0.466 18182 4084 1 7 . 1 1 42 42 ARG N N 700 125.045 125.045 126.673 -1.628 18182 4085 1 7 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.770 -0.076 18182 4086 1 7 . 1 1 42 42 ARG CB C 700 31.573 31.573 32.512 -0.939 18182 4087 1 7 . 1 1 42 42 ARG H H 700 8.639 8.639 7.857 0.782 18182 4088 1 7 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.256 0.158 18182 4089 1 7 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.463 -0.052 18182 4090 1 7 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.381 -0.884 18182 4091 1 7 . 1 1 44 44 ALA N N 702 122.925 122.925 128.463 -5.538 18182 4092 1 7 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.437 -0.115 18182 4093 1 7 . 1 1 44 44 ALA C C 702 176.610 176.610 176.793 -0.183 18182 4094 1 7 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.487 0.314 18182 4095 1 7 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.178 -0.787 18182 4096 1 7 . 1 1 44 44 ALA H H 702 7.888 7.888 7.837 0.051 18182 4097 1 7 . 1 1 45 45 GLU N N 703 118.799 118.799 119.314 -0.515 18182 4098 1 7 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.256 -0.019 18182 4099 1 7 . 1 1 45 45 GLU C C 703 176.717 176.717 178.724 -2.007 18182 4100 1 7 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.995 -1.094 18182 4101 1 7 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.885 0.201 18182 4102 1 7 . 1 1 45 45 GLU H H 703 7.947 7.947 8.810 -0.863 18182 4103 1 7 . 1 1 46 46 ALA N N 704 120.631 120.631 121.593 -0.962 18182 4104 1 7 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.201 0.214 18182 4105 1 7 . 1 1 46 46 ALA C C 704 178.411 178.411 177.447 0.964 18182 4106 1 7 . 1 1 46 46 ALA CA C 704 54.208 54.208 54.113 0.095 18182 4107 1 7 . 1 1 46 46 ALA CB C 704 19.243 19.243 18.831 0.412 18182 4108 1 7 . 1 1 46 46 ALA H H 704 8.643 8.643 8.192 0.451 18182 4109 1 7 . 1 1 47 47 GLU N N 705 119.341 119.341 116.338 3.003 18182 4110 1 7 . 1 1 47 47 GLU HA H 705 4.856 4.856 5.134 -0.278 18182 4111 1 7 . 1 1 47 47 GLU C C 705 176.013 176.013 175.957 0.056 18182 4112 1 7 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.837 -0.979 18182 4113 1 7 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.610 -3.776 18182 4114 1 7 . 1 1 47 47 GLU H H 705 7.635 7.635 8.109 -0.474 18182 4115 1 7 . 1 1 48 48 ARG N N 706 120.355 120.355 121.635 -1.280 18182 4116 1 7 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.377 -0.412 18182 4117 1 7 . 1 1 48 48 ARG C C 706 175.117 175.117 175.476 -0.359 18182 4118 1 7 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.786 1.369 18182 4119 1 7 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.087 -1.396 18182 4120 1 7 . 1 1 48 48 ARG H H 706 7.971 7.971 8.109 -0.138 18182 4121 1 7 . 1 1 49 49 PHE N N 707 112.251 112.251 115.262 -3.011 18182 4122 1 7 . 1 1 49 49 PHE HA H 707 5.905 5.905 5.088 0.817 18182 4123 1 7 . 1 1 49 49 PHE C C 707 173.875 173.875 173.714 0.161 18182 4124 1 7 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.550 -1.741 18182 4125 1 7 . 1 1 49 49 PHE CB C 707 43.075 43.075 44.069 -0.994 18182 4126 1 7 . 1 1 49 49 PHE H H 707 7.857 7.857 7.444 0.413 18182 4127 1 7 . 1 1 50 50 ALA N N 708 118.730 118.730 121.910 -3.180 18182 4128 1 7 . 1 1 50 50 ALA HA H 708 5.454 5.454 4.923 0.531 18182 4129 1 7 . 1 1 50 50 ALA C C 708 176.479 176.479 175.285 1.194 18182 4130 1 7 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.367 -0.525 18182 4131 1 7 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.486 0.232 18182 4132 1 7 . 1 1 50 50 ALA H H 708 9.205 9.205 8.810 0.395 18182 4133 1 7 . 1 1 51 51 ILE N N 709 120.037 120.037 126.058 -6.021 18182 4134 1 7 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.883 -0.137 18182 4135 1 7 . 1 1 51 51 ILE C C 709 175.120 175.120 175.055 0.065 18182 4136 1 7 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.275 0.448 18182 4137 1 7 . 1 1 51 51 ILE CB C 709 40.300 40.300 39.680 0.620 18182 4138 1 7 . 1 1 51 51 ILE H H 709 9.262 9.262 8.405 0.857 18182 4139 1 7 . 1 1 52 52 SER N N 710 125.087 125.087 121.377 3.710 18182 4140 1 7 . 1 1 52 52 SER HA H 710 5.468 5.468 5.022 0.446 18182 4141 1 7 . 1 1 52 52 SER C C 710 172.060 172.060 173.101 -1.041 18182 4142 1 7 . 1 1 52 52 SER CA C 710 57.761 57.761 56.248 1.513 18182 4143 1 7 . 1 1 52 52 SER CB C 710 65.210 65.210 64.976 0.234 18182 4144 1 7 . 1 1 52 52 SER H H 710 9.205 9.205 8.949 0.256 18182 4145 1 7 . 1 1 53 53 ILE N N 711 121.753 121.753 124.122 -2.369 18182 4146 1 7 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.178 0.017 18182 4147 1 7 . 1 1 53 53 ILE C C 711 173.070 173.070 173.543 -0.473 18182 4148 1 7 . 1 1 53 53 ILE CA C 711 57.755 57.755 58.890 -1.135 18182 4149 1 7 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.480 0.877 18182 4150 1 7 . 1 1 53 53 ILE H H 711 8.989 8.989 8.324 0.665 18182 4151 1 7 . 1 1 54 54 LYS N N 712 128.758 128.758 128.173 0.585 18182 4152 1 7 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.256 -0.469 18182 4153 1 7 . 1 1 54 54 LYS C C 712 174.899 174.899 175.306 -0.407 18182 4154 1 7 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.122 -0.755 18182 4155 1 7 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.045 -0.687 18182 4156 1 7 . 1 1 54 54 LYS H H 712 8.894 8.894 8.760 0.134 18182 4157 1 7 . 1 1 55 55 PHE N N 713 130.369 130.369 126.563 3.806 18182 4158 1 7 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.656 0.291 18182 4159 1 7 . 1 1 55 55 PHE C C 713 174.238 174.238 173.932 0.306 18182 4160 1 7 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.808 0.357 18182 4161 1 7 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.570 -0.766 18182 4162 1 7 . 1 1 55 55 PHE H H 713 9.464 9.464 8.913 0.551 18182 4163 1 7 . 1 1 56 56 ASN N N 714 125.719 125.719 126.892 -1.173 18182 4164 1 7 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.226 -0.285 18182 4165 1 7 . 1 1 56 56 ASN C C 714 174.003 174.003 174.389 -0.386 18182 4166 1 7 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.689 1.541 18182 4167 1 7 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.375 -1.235 18182 4168 1 7 . 1 1 56 56 ASN H H 714 8.411 8.411 8.785 -0.374 18182 4169 1 7 . 1 1 57 57 ASP N N 715 117.904 117.904 113.642 4.262 18182 4170 1 7 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.200 0.421 18182 4171 1 7 . 1 1 57 57 ASP C C 715 174.858 174.858 174.577 0.281 18182 4172 1 7 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.062 -0.880 18182 4173 1 7 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.704 0.182 18182 4174 1 7 . 1 1 57 57 ASP H H 715 8.542 8.542 8.690 -0.148 18182 4175 1 7 . 1 1 58 58 GLU N N 716 118.707 118.707 117.626 1.081 18182 4176 1 7 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.595 0.115 18182 4177 1 7 . 1 1 58 58 GLU C C 716 173.755 173.755 175.046 -1.291 18182 4178 1 7 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.021 0.026 18182 4179 1 7 . 1 1 58 58 GLU CB C 716 34.286 34.286 32.803 1.484 18182 4180 1 7 . 1 1 58 58 GLU H H 716 7.889 7.889 7.454 0.435 18182 4181 1 7 . 1 1 59 59 VAL N N 717 120.720 120.720 126.428 -5.708 18182 4182 1 7 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.128 0.302 18182 4183 1 7 . 1 1 59 59 VAL C C 717 175.071 175.071 175.599 -0.528 18182 4184 1 7 . 1 1 59 59 VAL CA C 717 62.139 62.139 61.445 0.694 18182 4185 1 7 . 1 1 59 59 VAL CB C 717 32.071 32.071 30.888 1.183 18182 4186 1 7 . 1 1 59 59 VAL H H 717 8.536 8.536 8.665 -0.129 18182 4187 1 7 . 1 1 60 60 LYS N N 718 126.403 126.403 127.314 -0.911 18182 4188 1 7 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.466 0.089 18182 4189 1 7 . 1 1 60 60 LYS C C 718 174.578 174.578 175.315 -0.737 18182 4190 1 7 . 1 1 60 60 LYS CA C 718 53.117 53.117 55.308 -2.191 18182 4191 1 7 . 1 1 60 60 LYS CB C 718 34.906 34.906 33.470 1.436 18182 4192 1 7 . 1 1 60 60 LYS H H 718 8.879 8.879 8.681 0.198 18182 4193 1 7 . 1 1 61 61 HIS N N 719 118.939 118.939 118.876 0.063 18182 4194 1 7 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.245 0.265 18182 4195 1 7 . 1 1 61 61 HIS C C 719 174.482 174.482 174.372 0.110 18182 4196 1 7 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.514 -0.097 18182 4197 1 7 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.280 1.969 18182 4198 1 7 . 1 1 61 61 HIS H H 719 8.846 8.846 8.412 0.434 18182 4199 1 7 . 1 1 62 62 ILE N N 720 124.690 124.690 124.524 0.166 18182 4200 1 7 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.410 0.098 18182 4201 1 7 . 1 1 62 62 ILE C C 720 176.221 176.221 174.701 1.520 18182 4202 1 7 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.064 0.219 18182 4203 1 7 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.223 3.799 18182 4204 1 7 . 1 1 62 62 ILE H H 720 9.704 9.704 9.100 0.604 18182 4205 1 7 . 1 1 63 63 LYS N N 721 126.432 126.432 128.113 -1.681 18182 4206 1 7 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.341 -0.206 18182 4207 1 7 . 1 1 63 63 LYS C C 721 174.783 174.783 175.637 -0.854 18182 4208 1 7 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.156 2.322 18182 4209 1 7 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.739 1.114 18182 4210 1 7 . 1 1 63 63 LYS H H 721 9.100 9.100 8.630 0.470 18182 4211 1 7 . 1 1 64 64 VAL N N 722 123.306 123.306 123.043 0.263 18182 4212 1 7 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.233 0.025 18182 4213 1 7 . 1 1 64 64 VAL C C 722 174.284 174.284 174.712 -0.428 18182 4214 1 7 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.933 -0.640 18182 4215 1 7 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.864 -0.318 18182 4216 1 7 . 1 1 64 64 VAL H H 722 8.441 8.441 8.702 -0.261 18182 4217 1 7 . 1 1 65 65 VAL N N 723 126.508 126.508 127.402 -0.894 18182 4218 1 7 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.825 -0.543 18182 4219 1 7 . 1 1 65 65 VAL C C 723 174.127 174.127 174.900 -0.773 18182 4220 1 7 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.873 0.727 18182 4221 1 7 . 1 1 65 65 VAL CB C 723 33.717 33.717 34.660 -0.943 18182 4222 1 7 . 1 1 65 65 VAL H H 723 8.462 8.462 8.761 -0.299 18182 4223 1 7 . 1 1 66 66 GLU N N 724 126.016 126.016 126.958 -0.942 18182 4224 1 7 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.071 0.155 18182 4225 1 7 . 1 1 66 66 GLU C C 724 175.409 175.409 175.239 0.170 18182 4226 1 7 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.112 -0.361 18182 4227 1 7 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.319 1.138 18182 4228 1 7 . 1 1 66 66 GLU H H 724 8.619 8.619 8.139 0.480 18182 4229 1 7 . 1 1 67 67 LYS N N 725 125.813 125.813 122.737 3.076 18182 4230 1 7 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.520 -0.023 18182 4231 1 7 . 1 1 67 67 LYS C C 725 175.635 175.635 175.272 0.363 18182 4232 1 7 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.237 1.185 18182 4233 1 7 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.553 -0.255 18182 4234 1 7 . 1 1 67 67 LYS H H 725 8.740 8.740 7.992 0.748 18182 4235 1 7 . 1 1 68 68 ASP N N 726 126.958 126.958 120.981 5.977 18182 4236 1 7 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.351 -0.120 18182 4237 1 7 . 1 1 68 68 ASP C C 726 174.341 174.341 175.089 -0.748 18182 4238 1 7 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.256 0.997 18182 4239 1 7 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.589 -0.090 18182 4240 1 7 . 1 1 68 68 ASP H H 726 9.499 9.499 8.944 0.555 18182 4241 1 7 . 1 1 69 69 ASN N N 727 110.214 110.214 113.534 -3.320 18182 4242 1 7 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.180 0.085 18182 4243 1 7 . 1 1 69 69 ASN C C 727 173.779 173.779 173.420 0.359 18182 4244 1 7 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.405 0.284 18182 4245 1 7 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.558 -0.070 18182 4246 1 7 . 1 1 69 69 ASN H H 727 8.348 8.348 8.479 -0.131 18182 4247 1 7 . 1 1 70 70 TRP N N 728 119.007 119.007 116.344 2.663 18182 4248 1 7 . 1 1 70 70 TRP HA H 728 5.390 5.390 4.859 0.531 18182 4249 1 7 . 1 1 70 70 TRP C C 728 174.779 174.779 174.749 0.030 18182 4250 1 7 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.860 0.966 18182 4251 1 7 . 1 1 70 70 TRP CB C 728 33.555 33.555 31.968 1.587 18182 4252 1 7 . 1 1 70 70 TRP H H 728 8.063 8.063 7.511 0.552 18182 4253 1 7 . 1 1 71 71 ILE N N 729 122.016 122.016 121.470 0.546 18182 4254 1 7 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.926 0.674 18182 4255 1 7 . 1 1 71 71 ILE C C 729 175.184 175.184 174.189 0.995 18182 4256 1 7 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.724 -0.870 18182 4257 1 7 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.576 1.020 18182 4258 1 7 . 1 1 71 71 ILE H H 729 9.378 9.378 9.272 0.106 18182 4259 1 7 . 1 1 72 72 HIS N N 730 121.306 121.306 122.237 -0.931 18182 4260 1 7 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.235 -0.017 18182 4261 1 7 . 1 1 72 72 HIS C C 730 173.714 173.714 174.182 -0.468 18182 4262 1 7 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.860 0.782 18182 4263 1 7 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.366 1.139 18182 4264 1 7 . 1 1 72 72 HIS H H 730 9.048 9.048 8.903 0.145 18182 4265 1 7 . 1 1 73 73 ILE N N 731 112.643 112.643 115.475 -2.832 18182 4266 1 7 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.648 0.289 18182 4267 1 7 . 1 1 73 73 ILE C C 731 175.442 175.442 176.055 -0.613 18182 4268 1 7 . 1 1 73 73 ILE CA C 731 62.678 62.678 61.980 0.698 18182 4269 1 7 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.113 0.293 18182 4270 1 7 . 1 1 73 73 ILE H H 731 9.499 9.499 8.911 0.588 18182 4271 1 7 . 1 1 74 74 THR N N 732 115.752 115.752 111.624 4.128 18182 4272 1 7 . 1 1 74 74 THR HA H 732 4.812 4.812 4.436 0.376 18182 4273 1 7 . 1 1 74 74 THR C C 732 173.575 173.575 174.159 -0.584 18182 4274 1 7 . 1 1 74 74 THR CA C 732 58.650 58.650 60.068 -1.418 18182 4275 1 7 . 1 1 74 74 THR CB C 732 70.177 70.177 71.736 -1.559 18182 4276 1 7 . 1 1 74 74 THR H H 732 8.364 8.364 7.826 0.538 18182 4277 1 7 . 1 1 75 75 GLU N N 733 124.910 124.910 119.424 5.486 18182 4278 1 7 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.385 -1.412 18182 4279 1 7 . 1 1 75 75 GLU C C 733 175.609 175.609 174.938 0.671 18182 4280 1 7 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.474 2.188 18182 4281 1 7 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.703 0.260 18182 4282 1 7 . 1 1 75 75 GLU H H 733 8.754 8.754 8.754 0.000 18182 4283 1 7 . 1 1 76 76 ALA N N 734 117.847 117.847 122.230 -4.383 18182 4284 1 7 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.337 -0.397 18182 4285 1 7 . 1 1 76 76 ALA C C 734 177.033 177.033 176.915 0.118 18182 4286 1 7 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.790 0.384 18182 4287 1 7 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.571 -1.078 18182 4288 1 7 . 1 1 76 76 ALA H H 734 7.538 7.538 7.524 0.014 18182 4289 1 7 . 1 1 77 77 LYS N N 735 119.518 119.518 121.476 -1.958 18182 4290 1 7 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.228 -0.117 18182 4291 1 7 . 1 1 77 77 LYS C C 735 171.953 171.953 175.282 -3.329 18182 4292 1 7 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.224 -0.525 18182 4293 1 7 . 1 1 77 77 LYS CB C 735 33.285 33.285 32.999 0.286 18182 4294 1 7 . 1 1 77 77 LYS H H 735 7.326 7.326 7.633 -0.307 18182 4295 1 7 . 1 1 78 78 LYS N N 736 123.200 123.200 122.111 1.089 18182 4296 1 7 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.501 0.230 18182 4297 1 7 . 1 1 78 78 LYS C C 736 175.123 175.123 175.401 -0.278 18182 4298 1 7 . 1 1 78 78 LYS CA C 736 55.110 55.110 55.208 -0.098 18182 4299 1 7 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.408 0.562 18182 4300 1 7 . 1 1 78 78 LYS H H 736 7.893 7.893 8.041 -0.148 18182 4301 1 7 . 1 1 79 79 PHE N N 737 117.916 117.916 122.384 -4.468 18182 4302 1 7 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.632 0.362 18182 4303 1 7 . 1 1 79 79 PHE C C 737 175.595 175.595 175.469 0.126 18182 4304 1 7 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.815 0.126 18182 4305 1 7 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.714 0.699 18182 4306 1 7 . 1 1 79 79 PHE H H 737 9.121 9.121 9.086 0.035 18182 4307 1 7 . 1 1 80 80 ASP N N 738 119.341 119.341 120.909 -1.568 18182 4308 1 7 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.031 -0.282 18182 4309 1 7 . 1 1 80 80 ASP C C 738 176.035 176.035 176.563 -0.528 18182 4310 1 7 . 1 1 80 80 ASP CA C 738 55.712 55.712 56.621 -0.909 18182 4311 1 7 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.114 -0.405 18182 4312 1 7 . 1 1 80 80 ASP H H 738 9.377 9.377 8.821 0.556 18182 4313 1 7 . 1 1 81 81 SER N N 739 108.518 108.518 109.392 -0.874 18182 4314 1 7 . 1 1 81 81 SER HA H 739 4.694 4.694 4.661 0.033 18182 4315 1 7 . 1 1 81 81 SER C C 739 173.791 173.791 173.612 0.179 18182 4316 1 7 . 1 1 81 81 SER CA C 739 57.049 57.049 57.266 -0.217 18182 4317 1 7 . 1 1 81 81 SER CB C 739 66.839 66.839 65.264 1.575 18182 4318 1 7 . 1 1 81 81 SER H H 739 7.447 7.447 7.636 -0.189 18182 4319 1 7 . 1 1 82 82 LEU N N 740 122.626 122.626 124.272 -1.646 18182 4320 1 7 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.160 -0.349 18182 4321 1 7 . 1 1 82 82 LEU C C 740 177.172 177.172 177.783 -0.611 18182 4322 1 7 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.448 -0.979 18182 4323 1 7 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.355 -1.536 18182 4324 1 7 . 1 1 82 82 LEU H H 740 8.969 8.969 8.805 0.164 18182 4325 1 7 . 1 1 83 83 LEU N N 741 116.575 116.575 120.717 -4.142 18182 4326 1 7 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.873 -0.036 18182 4327 1 7 . 1 1 83 83 LEU C C 741 177.492 177.492 177.808 -0.316 18182 4328 1 7 . 1 1 83 83 LEU CA C 741 58.264 58.264 59.011 -0.747 18182 4329 1 7 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.595 0.334 18182 4330 1 7 . 1 1 83 83 LEU H H 741 7.770 7.770 8.128 -0.358 18182 4331 1 7 . 1 1 84 84 GLU N N 742 116.865 116.865 118.717 -1.852 18182 4332 1 7 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.934 -0.016 18182 4333 1 7 . 1 1 84 84 GLU C C 742 178.252 178.252 178.648 -0.396 18182 4334 1 7 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.491 -0.100 18182 4335 1 7 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.267 1.192 18182 4336 1 7 . 1 1 84 84 GLU H H 742 7.585 7.585 8.282 -0.697 18182 4337 1 7 . 1 1 85 85 LEU N N 743 122.164 122.164 120.458 1.706 18182 4338 1 7 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.461 -0.433 18182 4339 1 7 . 1 1 85 85 LEU C C 743 177.335 177.335 178.516 -1.181 18182 4340 1 7 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.519 1.252 18182 4341 1 7 . 1 1 85 85 LEU CB C 743 41.827 41.827 42.029 -0.202 18182 4342 1 7 . 1 1 85 85 LEU H H 743 7.109 7.109 7.155 -0.046 18182 4343 1 7 . 1 1 86 86 VAL N N 744 119.760 119.760 119.117 0.643 18182 4344 1 7 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.323 -0.470 18182 4345 1 7 . 1 1 86 86 VAL C C 744 177.675 177.675 178.054 -0.379 18182 4346 1 7 . 1 1 86 86 VAL CA C 744 67.113 67.113 67.194 -0.081 18182 4347 1 7 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.190 -0.079 18182 4348 1 7 . 1 1 86 86 VAL H H 744 8.113 8.113 8.436 -0.323 18182 4349 1 7 . 1 1 87 87 GLU N N 745 116.227 116.227 119.159 -2.932 18182 4350 1 7 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.777 -0.015 18182 4351 1 7 . 1 1 87 87 GLU C C 745 179.530 179.530 178.907 0.623 18182 4352 1 7 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.661 -0.223 18182 4353 1 7 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.479 -0.327 18182 4354 1 7 . 1 1 87 87 GLU H H 745 8.182 8.182 8.386 -0.204 18182 4355 1 7 . 1 1 88 88 TYR N N 746 120.102 120.102 119.755 0.347 18182 4356 1 7 . 1 1 88 88 TYR HA H 746 4.147 4.147 3.839 0.308 18182 4357 1 7 . 1 1 88 88 TYR C C 746 179.970 179.970 178.164 1.806 18182 4358 1 7 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.839 0.891 18182 4359 1 7 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.334 0.554 18182 4360 1 7 . 1 1 88 88 TYR H H 746 7.795 7.795 7.783 0.012 18182 4361 1 7 . 1 1 89 89 TYR N N 747 118.508 118.508 117.538 0.970 18182 4362 1 7 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.653 0.448 18182 4363 1 7 . 1 1 89 89 TYR C C 747 175.885 175.885 178.428 -2.543 18182 4364 1 7 . 1 1 89 89 TYR CA C 747 61.177 61.177 60.563 0.614 18182 4365 1 7 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.735 -0.692 18182 4366 1 7 . 1 1 89 89 TYR H H 747 7.798 7.798 8.168 -0.370 18182 4367 1 7 . 1 1 90 90 GLN N N 748 118.741 118.741 118.672 0.069 18182 4368 1 7 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.783 0.637 18182 4369 1 7 . 1 1 90 90 GLN C C 748 177.767 177.767 177.418 0.349 18182 4370 1 7 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.904 -1.033 18182 4371 1 7 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.398 0.275 18182 4372 1 7 . 1 1 90 90 GLN H H 748 7.925 7.925 7.993 -0.068 18182 4373 1 7 . 1 1 91 91 CYS N N 749 111.312 111.312 113.983 -2.671 18182 4374 1 7 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.334 0.307 18182 4375 1 7 . 1 1 91 91 CYS C C 749 173.010 173.010 174.687 -1.677 18182 4376 1 7 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.158 -1.623 18182 4377 1 7 . 1 1 91 91 CYS CB C 749 29.179 29.179 30.134 -0.955 18182 4378 1 7 . 1 1 91 91 CYS H H 749 7.178 7.178 7.261 -0.083 18182 4379 1 7 . 1 1 92 92 HIS N N 750 120.386 120.386 119.442 0.944 18182 4380 1 7 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.599 -0.231 18182 4381 1 7 . 1 1 92 92 HIS C C 750 171.815 171.815 174.511 -2.696 18182 4382 1 7 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.709 0.459 18182 4383 1 7 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.344 -1.038 18182 4384 1 7 . 1 1 92 92 HIS H H 750 7.540 7.540 7.909 -0.369 18182 4385 1 7 . 1 1 93 93 SER N N 751 113.259 113.259 117.625 -4.366 18182 4386 1 7 . 1 1 93 93 SER HA H 751 3.812 3.812 4.328 -0.516 18182 4387 1 7 . 1 1 93 93 SER C C 751 176.644 176.644 175.606 1.038 18182 4388 1 7 . 1 1 93 93 SER CA C 751 58.040 58.040 58.471 -0.431 18182 4389 1 7 . 1 1 93 93 SER CB C 751 62.954 62.954 64.109 -1.155 18182 4390 1 7 . 1 1 93 93 SER H H 751 8.397 8.397 8.891 -0.494 18182 4391 1 7 . 1 1 94 94 LEU N N 752 127.166 127.166 123.730 3.436 18182 4392 1 7 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.688 -0.548 18182 4393 1 7 . 1 1 94 94 LEU C C 752 177.462 177.462 177.853 -0.391 18182 4394 1 7 . 1 1 94 94 LEU CA C 752 58.300 58.300 55.401 2.899 18182 4395 1 7 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.176 1.156 18182 4396 1 7 . 1 1 94 94 LEU H H 752 8.580 8.580 8.296 0.284 18182 4397 1 7 . 1 1 95 95 LYS N N 753 122.119 122.119 118.996 3.123 18182 4398 1 7 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.577 -0.137 18182 4399 1 7 . 1 1 95 95 LYS C C 753 176.253 176.253 178.469 -2.216 18182 4400 1 7 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.468 -1.239 18182 4401 1 7 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.681 0.663 18182 4402 1 7 . 1 1 95 95 LYS H H 753 8.322 8.322 8.320 0.002 18182 4403 1 7 . 1 1 96 96 GLU N N 754 115.310 115.310 119.581 -4.271 18182 4404 1 7 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.097 0.040 18182 4405 1 7 . 1 1 96 96 GLU C C 754 176.704 176.704 177.888 -1.184 18182 4406 1 7 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.724 -0.235 18182 4407 1 7 . 1 1 96 96 GLU CB C 754 29.677 29.677 28.998 0.679 18182 4408 1 7 . 1 1 96 96 GLU H H 754 7.197 7.197 8.217 -1.020 18182 4409 1 7 . 1 1 97 97 SER N N 755 113.390 113.390 113.045 0.345 18182 4410 1 7 . 1 1 97 97 SER HA H 755 4.583 4.583 4.387 0.196 18182 4411 1 7 . 1 1 97 97 SER C C 755 171.185 171.185 174.686 -3.501 18182 4412 1 7 . 1 1 97 97 SER CA C 755 59.569 59.569 59.371 0.198 18182 4413 1 7 . 1 1 97 97 SER CB C 755 66.435 66.435 64.335 2.100 18182 4414 1 7 . 1 1 97 97 SER H H 755 7.857 7.857 8.297 -0.440 18182 4415 1 7 . 1 1 98 98 PHE N N 756 121.328 121.328 122.833 -1.505 18182 4416 1 7 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.783 -0.018 18182 4417 1 7 . 1 1 98 98 PHE C C 756 175.774 175.774 175.566 0.208 18182 4418 1 7 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.352 0.519 18182 4419 1 7 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.256 1.455 18182 4420 1 7 . 1 1 98 98 PHE H H 756 8.409 8.409 8.317 0.092 18182 4421 1 7 . 1 1 99 99 LYS N N 757 121.656 121.656 124.212 -2.556 18182 4422 1 7 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.162 -0.050 18182 4423 1 7 . 1 1 99 99 LYS C C 757 177.188 177.188 177.609 -0.421 18182 4424 1 7 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.041 0.695 18182 4425 1 7 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.098 0.258 18182 4426 1 7 . 1 1 99 99 LYS H H 757 8.602 8.602 8.418 0.184 18182 4427 1 7 . 1 1 100 100 GLN N N 758 115.783 115.783 118.512 -2.729 18182 4428 1 7 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.289 0.094 18182 4429 1 7 . 1 1 100 100 GLN C C 758 175.849 175.849 176.152 -0.303 18182 4430 1 7 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.657 -1.825 18182 4431 1 7 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.192 -0.875 18182 4432 1 7 . 1 1 100 100 GLN H H 758 9.139 9.139 8.365 0.774 18182 4433 1 7 . 1 1 101 101 LEU N N 759 124.876 124.876 118.789 6.087 18182 4434 1 7 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.525 -0.833 18182 4435 1 7 . 1 1 101 101 LEU C C 759 173.219 173.219 175.167 -1.948 18182 4436 1 7 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.705 -2.257 18182 4437 1 7 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.791 -1.803 18182 4438 1 7 . 1 1 101 101 LEU H H 759 7.924 7.924 7.897 0.027 18182 4439 1 7 . 1 1 102 102 ASP N N 760 119.263 119.263 117.849 1.414 18182 4440 1 7 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.668 -0.101 18182 4441 1 7 . 1 1 102 102 ASP C C 760 173.570 173.570 174.266 -0.696 18182 4442 1 7 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.891 -2.016 18182 4443 1 7 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.575 -2.546 18182 4444 1 7 . 1 1 102 102 ASP H H 760 6.564 6.564 7.968 -1.404 18182 4445 1 7 . 1 1 103 103 THR N N 761 117.311 117.311 113.550 3.761 18182 4446 1 7 . 1 1 103 103 THR HA H 761 4.701 4.701 4.622 0.079 18182 4447 1 7 . 1 1 103 103 THR C C 761 172.169 172.169 173.551 -1.382 18182 4448 1 7 . 1 1 103 103 THR CA C 761 60.491 60.491 59.644 0.847 18182 4449 1 7 . 1 1 103 103 THR CB C 761 69.358 69.358 70.256 -0.898 18182 4450 1 7 . 1 1 103 103 THR H H 761 7.699 7.699 7.323 0.376 18182 4451 1 7 . 1 1 104 104 THR N N 762 114.211 114.211 115.186 -0.975 18182 4452 1 7 . 1 1 104 104 THR HA H 762 4.603 4.603 4.500 0.103 18182 4453 1 7 . 1 1 104 104 THR C C 762 175.647 175.647 173.590 2.057 18182 4454 1 7 . 1 1 104 104 THR CA C 762 60.899 60.899 59.351 1.548 18182 4455 1 7 . 1 1 104 104 THR CB C 762 70.981 70.981 71.804 -0.823 18182 4456 1 7 . 1 1 104 104 THR H H 762 7.300 7.300 8.046 -0.746 18182 4457 1 7 . 1 1 105 105 LEU N N 763 117.640 117.640 120.269 -2.629 18182 4458 1 7 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.943 -0.420 18182 4459 1 7 . 1 1 105 105 LEU C C 763 174.500 174.500 176.009 -1.509 18182 4460 1 7 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.313 -0.158 18182 4461 1 7 . 1 1 105 105 LEU CB C 763 35.747 35.747 40.697 -4.950 18182 4462 1 7 . 1 1 105 105 LEU H H 763 8.113 8.113 8.198 -0.085 18182 4463 1 7 . 1 1 106 106 LYS N N 764 127.345 127.345 121.752 5.593 18182 4464 1 7 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.561 -0.550 18182 4465 1 7 . 1 1 106 106 LYS C C 764 176.781 176.781 176.530 0.251 18182 4466 1 7 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.867 3.021 18182 4467 1 7 . 1 1 106 106 LYS CB C 764 35.223 35.223 35.725 -0.502 18182 4468 1 7 . 1 1 106 106 LYS H H 764 7.181 7.181 8.223 -1.042 18182 4469 1 7 . 1 1 107 107 TYR N N 765 115.756 115.756 120.467 -4.711 18182 4470 1 7 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.101 0.420 18182 4471 1 7 . 1 1 107 107 TYR C C 765 172.106 172.106 173.600 -1.494 18182 4472 1 7 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.722 -3.101 18182 4473 1 7 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.500 2.018 18182 4474 1 7 . 1 1 107 107 TYR H H 765 7.877 7.877 8.121 -0.244 18182 4475 1 7 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.090 -0.417 18182 4476 1 7 . 1 1 108 108 PRO C C 766 180.696 180.696 176.581 4.115 18182 4477 1 7 . 1 1 108 108 PRO CA C 766 62.611 62.611 62.280 0.331 18182 4478 1 7 . 1 1 109 109 TYR N N 767 122.570 122.570 115.781 6.789 18182 4479 1 7 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.266 -0.449 18182 4480 1 7 . 1 1 109 109 TYR C C 767 174.769 174.769 177.087 -2.318 18182 4481 1 7 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.734 1.449 18182 4482 1 7 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.775 -1.308 18182 4483 1 7 . 1 1 109 109 TYR H H 767 8.341 8.341 7.952 0.389 18182 4484 1 7 . 1 1 110 110 LYS N N 768 118.398 118.398 117.246 1.152 18182 4485 1 7 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.154 -0.212 18182 4486 1 7 . 1 1 110 110 LYS C C 768 176.453 176.453 177.546 -1.093 18182 4487 1 7 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.333 -0.432 18182 4488 1 7 . 1 1 110 110 LYS CB C 768 32.581 32.581 31.972 0.609 18182 4489 1 7 . 1 1 110 110 LYS H H 768 6.790 6.790 6.539 0.251 18182 4490 1 7 . 1 1 111 111 SER N N 769 114.260 114.260 117.012 -2.752 18182 4491 1 7 . 1 1 111 111 SER HA H 769 4.384 4.384 4.314 0.070 18182 4492 1 7 . 1 1 111 111 SER C C 769 174.124 174.124 173.875 0.249 18182 4493 1 7 . 1 1 111 111 SER CA C 769 58.802 58.802 59.153 -0.351 18182 4494 1 7 . 1 1 111 111 SER CB C 769 64.206 64.206 62.459 1.746 18182 4495 1 7 . 1 1 111 111 SER H H 769 7.769 7.769 8.013 -0.244 18182 4496 1 7 . 1 1 112 112 ARG N N 770 122.485 122.485 125.824 -3.339 18182 4497 1 7 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.592 -0.214 18182 4498 1 7 . 1 1 112 112 ARG C C 770 175.139 175.139 175.729 -0.590 18182 4499 1 7 . 1 1 112 112 ARG CA C 770 55.628 55.628 54.132 1.496 18182 4500 1 7 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.552 0.383 18182 4501 1 7 . 1 1 112 112 ARG H H 770 8.109 8.109 8.135 -0.026 18182 4502 1 8 . 1 1 2 2 ARG N N 660 123.565 123.565 123.277 0.288 18182 4503 1 8 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.743 -0.113 18182 4504 1 8 . 1 1 2 2 ARG C C 660 173.529 173.529 173.749 -0.220 18182 4505 1 8 . 1 1 2 2 ARG CA C 660 53.869 53.869 54.495 -0.626 18182 4506 1 8 . 1 1 2 2 ARG CB C 660 30.428 30.428 31.386 -0.958 18182 4507 1 8 . 1 1 2 2 ARG H H 660 8.295 8.295 8.282 0.013 18182 4508 1 8 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.492 0.180 18182 4509 1 8 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.493 -0.081 18182 4510 1 8 . 1 1 4 4 PRO C C 662 177.096 177.096 176.528 0.568 18182 4511 1 8 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.119 0.177 18182 4512 1 8 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.176 -0.154 18182 4513 1 8 . 1 1 5 5 SER N N 663 116.025 116.025 118.704 -2.679 18182 4514 1 8 . 1 1 5 5 SER HA H 663 4.374 4.374 4.598 -0.224 18182 4515 1 8 . 1 1 5 5 SER C C 663 174.815 174.815 174.502 0.313 18182 4516 1 8 . 1 1 5 5 SER CA C 663 58.797 58.797 57.961 0.836 18182 4517 1 8 . 1 1 5 5 SER CB C 663 64.024 64.024 64.214 -0.190 18182 4518 1 8 . 1 1 5 5 SER H H 663 8.406 8.406 8.499 -0.093 18182 4519 1 8 . 1 1 6 6 ARG N N 664 122.062 122.062 123.292 -1.230 18182 4520 1 8 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.554 -0.175 18182 4521 1 8 . 1 1 6 6 ARG C C 664 175.958 175.958 175.779 0.179 18182 4522 1 8 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.183 -0.047 18182 4523 1 8 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.030 0.682 18182 4524 1 8 . 1 1 6 6 ARG H H 664 8.371 8.371 8.669 -0.298 18182 4525 1 8 . 1 1 7 7 GLU N N 665 122.160 122.160 122.683 -0.523 18182 4526 1 8 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.490 -0.177 18182 4527 1 8 . 1 1 7 7 GLU C C 665 175.842 175.842 175.405 0.437 18182 4528 1 8 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.140 0.270 18182 4529 1 8 . 1 1 7 7 GLU CB C 665 29.972 29.972 30.382 -0.410 18182 4530 1 8 . 1 1 7 7 GLU H H 665 8.352 8.352 8.708 -0.356 18182 4531 1 8 . 1 1 8 8 ILE N N 666 123.828 123.828 120.380 3.448 18182 4532 1 8 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.233 -0.393 18182 4533 1 8 . 1 1 8 8 ILE C C 666 174.373 174.373 174.763 -0.390 18182 4534 1 8 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.772 0.155 18182 4535 1 8 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.869 -0.328 18182 4536 1 8 . 1 1 8 8 ILE H H 666 7.938 7.938 7.698 0.240 18182 4537 1 8 . 1 1 9 9 ASP N N 667 124.338 124.338 127.636 -3.298 18182 4538 1 8 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.817 -0.198 18182 4539 1 8 . 1 1 9 9 ASP C C 667 177.006 177.006 176.225 0.781 18182 4540 1 8 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.912 -1.860 18182 4541 1 8 . 1 1 9 9 ASP CB C 667 40.364 40.364 41.657 -1.293 18182 4542 1 8 . 1 1 9 9 ASP H H 667 8.111 8.111 8.600 -0.489 18182 4543 1 8 . 1 1 10 10 TYR N N 668 125.199 125.199 124.106 1.093 18182 4544 1 8 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.489 -0.301 18182 4545 1 8 . 1 1 10 10 TYR C C 668 175.947 175.947 177.198 -1.251 18182 4546 1 8 . 1 1 10 10 TYR CA C 668 60.683 60.683 59.951 0.732 18182 4547 1 8 . 1 1 10 10 TYR CB C 668 36.236 36.236 38.338 -2.102 18182 4548 1 8 . 1 1 10 10 TYR H H 668 8.495 8.495 8.833 -0.338 18182 4549 1 8 . 1 1 11 11 THR N N 669 108.617 108.617 111.192 -2.575 18182 4550 1 8 . 1 1 11 11 THR HA H 669 4.148 4.148 3.613 0.535 18182 4551 1 8 . 1 1 11 11 THR C C 669 175.184 175.184 174.981 0.203 18182 4552 1 8 . 1 1 11 11 THR CA C 669 65.022 65.022 64.159 0.863 18182 4553 1 8 . 1 1 11 11 THR CB C 669 69.280 69.280 67.808 1.472 18182 4554 1 8 . 1 1 11 11 THR H H 669 8.011 8.011 7.926 0.085 18182 4555 1 8 . 1 1 12 12 ALA N N 670 121.275 121.275 122.861 -1.586 18182 4556 1 8 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.993 0.083 18182 4557 1 8 . 1 1 12 12 ALA C C 670 177.815 177.815 177.230 0.585 18182 4558 1 8 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.147 -0.591 18182 4559 1 8 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.863 0.011 18182 4560 1 8 . 1 1 12 12 ALA H H 670 7.411 7.411 7.105 0.306 18182 4561 1 8 . 1 1 13 13 TYR N N 671 117.883 117.883 116.991 0.892 18182 4562 1 8 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.200 0.101 18182 4563 1 8 . 1 1 13 13 TYR C C 671 176.698 176.698 174.957 1.741 18182 4564 1 8 . 1 1 13 13 TYR CA C 671 56.986 56.986 55.625 1.361 18182 4565 1 8 . 1 1 13 13 TYR CB C 671 36.815 36.815 36.521 0.294 18182 4566 1 8 . 1 1 13 13 TYR H H 671 7.538 7.538 6.843 0.695 18182 4567 1 8 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.211 0.145 18182 4568 1 8 . 1 1 14 14 PRO C C 672 173.452 173.452 176.321 -2.869 18182 4569 1 8 . 1 1 14 14 PRO CA C 672 64.323 64.323 63.968 0.355 18182 4570 1 8 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.778 -0.555 18182 4571 1 8 . 1 1 15 15 TRP N N 673 110.044 110.044 114.037 -3.993 18182 4572 1 8 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.731 0.061 18182 4573 1 8 . 1 1 15 15 TRP C C 673 175.577 175.577 174.272 1.305 18182 4574 1 8 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.814 -1.657 18182 4575 1 8 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.929 3.444 18182 4576 1 8 . 1 1 15 15 TRP H H 673 6.229 6.229 7.215 -0.986 18182 4577 1 8 . 1 1 16 16 PHE N N 674 123.205 123.205 123.322 -0.117 18182 4578 1 8 . 1 1 16 16 PHE HA H 674 5.171 5.171 5.126 0.045 18182 4579 1 8 . 1 1 16 16 PHE C C 674 174.832 174.832 174.036 0.796 18182 4580 1 8 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.748 3.124 18182 4581 1 8 . 1 1 16 16 PHE CB C 674 40.208 40.208 40.961 -0.753 18182 4582 1 8 . 1 1 16 16 PHE H H 674 7.625 7.625 7.503 0.122 18182 4583 1 8 . 1 1 17 17 ALA N N 675 130.669 130.669 130.792 -0.123 18182 4584 1 8 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.947 0.001 18182 4585 1 8 . 1 1 17 17 ALA C C 675 177.266 177.266 176.130 1.136 18182 4586 1 8 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.085 1.183 18182 4587 1 8 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.061 0.367 18182 4588 1 8 . 1 1 17 17 ALA H H 675 9.097 9.097 8.229 0.868 18182 4589 1 8 . 1 1 18 18 GLY C C 676 174.230 174.230 174.640 -0.410 18182 4590 1 8 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.988 1.942 18182 4591 1 8 . 1 1 19 19 ASN N N 677 124.910 124.910 120.820 4.090 18182 4592 1 8 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.782 0.112 18182 4593 1 8 . 1 1 19 19 ASN C C 677 174.597 174.597 175.127 -0.530 18182 4594 1 8 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.129 -0.187 18182 4595 1 8 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.369 -0.410 18182 4596 1 8 . 1 1 19 19 ASN H H 677 8.682 8.682 8.468 0.214 18182 4597 1 8 . 1 1 20 20 MET N N 678 122.347 122.347 121.906 0.441 18182 4598 1 8 . 1 1 20 20 MET HA H 678 4.115 4.115 4.358 -0.243 18182 4599 1 8 . 1 1 20 20 MET C C 678 175.451 175.451 175.464 -0.013 18182 4600 1 8 . 1 1 20 20 MET CA C 678 56.675 56.675 56.317 0.358 18182 4601 1 8 . 1 1 20 20 MET CB C 678 35.208 35.208 33.978 1.230 18182 4602 1 8 . 1 1 20 20 MET H H 678 7.006 7.006 7.771 -0.765 18182 4603 1 8 . 1 1 21 21 GLU N N 679 124.989 124.989 119.111 5.878 18182 4604 1 8 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.568 -0.277 18182 4605 1 8 . 1 1 21 21 GLU C C 679 178.232 178.232 176.597 1.635 18182 4606 1 8 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.533 0.594 18182 4607 1 8 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.751 0.181 18182 4608 1 8 . 1 1 21 21 GLU H H 679 8.761 8.761 8.354 0.407 18182 4609 1 8 . 1 1 22 22 ARG N N 680 125.521 125.521 122.645 2.876 18182 4610 1 8 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.047 -0.711 18182 4611 1 8 . 1 1 22 22 ARG C C 680 177.707 177.707 178.618 -0.911 18182 4612 1 8 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.623 1.421 18182 4613 1 8 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.083 -0.026 18182 4614 1 8 . 1 1 22 22 ARG H H 680 9.406 9.406 8.711 0.695 18182 4615 1 8 . 1 1 23 23 GLN N N 681 117.320 117.320 118.123 -0.803 18182 4616 1 8 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.028 0.037 18182 4617 1 8 . 1 1 23 23 GLN C C 681 178.317 178.317 178.360 -0.043 18182 4618 1 8 . 1 1 23 23 GLN CA C 681 59.751 59.751 59.215 0.536 18182 4619 1 8 . 1 1 23 23 GLN CB C 681 27.784 27.784 28.020 -0.236 18182 4620 1 8 . 1 1 23 23 GLN H H 681 9.048 9.048 8.724 0.324 18182 4621 1 8 . 1 1 24 24 GLN N N 682 117.909 117.909 119.258 -1.349 18182 4622 1 8 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.010 0.111 18182 4623 1 8 . 1 1 24 24 GLN C C 682 178.190 178.190 178.332 -0.142 18182 4624 1 8 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.669 -0.926 18182 4625 1 8 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.617 -0.302 18182 4626 1 8 . 1 1 24 24 GLN H H 682 7.182 7.182 8.364 -1.182 18182 4627 1 8 . 1 1 25 25 THR N N 683 117.007 117.007 116.294 0.713 18182 4628 1 8 . 1 1 25 25 THR HA H 683 3.681 3.681 3.918 -0.237 18182 4629 1 8 . 1 1 25 25 THR C C 683 175.786 175.786 176.576 -0.790 18182 4630 1 8 . 1 1 25 25 THR CA C 683 67.702 67.702 67.803 -0.101 18182 4631 1 8 . 1 1 25 25 THR CB C 683 68.000 68.000 68.534 -0.534 18182 4632 1 8 . 1 1 25 25 THR H H 683 7.903 7.903 8.271 -0.368 18182 4633 1 8 . 1 1 26 26 ASP N N 684 122.824 122.824 121.148 1.676 18182 4634 1 8 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.438 -0.158 18182 4635 1 8 . 1 1 26 26 ASP C C 684 178.269 178.269 178.351 -0.082 18182 4636 1 8 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.290 0.846 18182 4637 1 8 . 1 1 26 26 ASP CB C 684 40.178 40.178 41.100 -0.922 18182 4638 1 8 . 1 1 26 26 ASP H H 684 8.430 8.430 7.955 0.475 18182 4639 1 8 . 1 1 27 27 ASN N N 685 115.634 115.634 118.623 -2.989 18182 4640 1 8 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.509 -0.150 18182 4641 1 8 . 1 1 27 27 ASN C C 685 177.065 177.065 178.227 -1.162 18182 4642 1 8 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.937 -0.026 18182 4643 1 8 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.617 -0.111 18182 4644 1 8 . 1 1 27 27 ASN H H 685 7.647 7.647 8.242 -0.595 18182 4645 1 8 . 1 1 28 28 LEU N N 686 120.594 120.594 121.559 -0.965 18182 4646 1 8 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.118 0.111 18182 4647 1 8 . 1 1 28 28 LEU C C 686 179.502 179.502 178.544 0.958 18182 4648 1 8 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.449 -0.469 18182 4649 1 8 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.315 0.788 18182 4650 1 8 . 1 1 28 28 LEU H H 686 8.093 8.093 8.576 -0.483 18182 4651 1 8 . 1 1 29 29 LEU N N 687 115.149 115.149 116.942 -1.793 18182 4652 1 8 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.158 -0.076 18182 4653 1 8 . 1 1 29 29 LEU C C 687 178.910 178.910 178.756 0.154 18182 4654 1 8 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.867 0.050 18182 4655 1 8 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.758 1.140 18182 4656 1 8 . 1 1 29 29 LEU H H 687 8.386 8.386 7.782 0.604 18182 4657 1 8 . 1 1 30 30 LYS N N 688 118.086 118.086 116.941 1.145 18182 4658 1 8 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.073 -0.335 18182 4659 1 8 . 1 1 30 30 LYS C C 688 177.312 177.312 178.572 -1.260 18182 4660 1 8 . 1 1 30 30 LYS CA C 688 60.509 60.509 58.819 1.690 18182 4661 1 8 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.344 -0.254 18182 4662 1 8 . 1 1 30 30 LYS H H 688 7.752 7.752 7.984 -0.232 18182 4663 1 8 . 1 1 31 31 SER N N 689 111.134 111.134 112.707 -1.573 18182 4664 1 8 . 1 1 31 31 SER HA H 689 4.460 4.460 4.326 0.134 18182 4665 1 8 . 1 1 31 31 SER C C 689 174.501 174.501 175.258 -0.757 18182 4666 1 8 . 1 1 31 31 SER CA C 689 58.559 58.559 59.981 -1.422 18182 4667 1 8 . 1 1 31 31 SER CB C 689 63.528 63.528 63.593 -0.064 18182 4668 1 8 . 1 1 31 31 SER H H 689 7.629 7.629 7.656 -0.027 18182 4669 1 8 . 1 1 32 32 HIS N N 690 120.218 120.218 120.359 -0.141 18182 4670 1 8 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.537 0.119 18182 4671 1 8 . 1 1 32 32 HIS C C 690 173.855 173.855 174.333 -0.478 18182 4672 1 8 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.819 -0.600 18182 4673 1 8 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.694 1.230 18182 4674 1 8 . 1 1 32 32 HIS H H 690 7.701 7.701 7.573 0.128 18182 4675 1 8 . 1 1 33 33 ALA N N 691 120.317 120.317 121.952 -1.635 18182 4676 1 8 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.526 -0.195 18182 4677 1 8 . 1 1 33 33 ALA C C 691 179.494 179.494 177.432 2.062 18182 4678 1 8 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.397 0.453 18182 4679 1 8 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.427 -0.382 18182 4680 1 8 . 1 1 33 33 ALA H H 691 8.453 8.453 8.510 -0.057 18182 4681 1 8 . 1 1 34 34 SER N N 692 117.274 117.274 116.061 1.213 18182 4682 1 8 . 1 1 34 34 SER HA H 692 4.089 4.089 4.181 -0.092 18182 4683 1 8 . 1 1 34 34 SER C C 692 175.336 175.336 175.794 -0.458 18182 4684 1 8 . 1 1 34 34 SER CA C 692 60.531 60.531 61.063 -0.532 18182 4685 1 8 . 1 1 34 34 SER CB C 692 63.308 63.308 63.060 0.248 18182 4686 1 8 . 1 1 34 34 SER H H 692 8.997 8.997 8.447 0.550 18182 4687 1 8 . 1 1 35 35 GLY N N 693 113.573 113.573 115.175 -1.602 18182 4688 1 8 . 1 1 35 35 GLY C C 693 174.808 174.808 173.256 1.552 18182 4689 1 8 . 1 1 35 35 GLY CA C 693 44.859 44.859 44.978 -0.119 18182 4690 1 8 . 1 1 35 35 GLY H H 693 9.926 9.926 9.090 0.836 18182 4691 1 8 . 1 1 36 36 THR N N 694 121.076 121.076 118.301 2.775 18182 4692 1 8 . 1 1 36 36 THR HA H 694 5.962 5.962 5.755 0.207 18182 4693 1 8 . 1 1 36 36 THR C C 694 173.297 173.297 173.631 -0.334 18182 4694 1 8 . 1 1 36 36 THR CA C 694 63.612 63.612 61.991 1.621 18182 4695 1 8 . 1 1 36 36 THR CB C 694 68.317 68.317 70.239 -1.922 18182 4696 1 8 . 1 1 36 36 THR H H 694 8.291 8.291 7.512 0.779 18182 4697 1 8 . 1 1 37 37 TYR N N 695 123.616 123.616 124.345 -0.729 18182 4698 1 8 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.666 0.375 18182 4699 1 8 . 1 1 37 37 TYR C C 695 171.831 171.831 173.052 -1.221 18182 4700 1 8 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.702 0.603 18182 4701 1 8 . 1 1 37 37 TYR CB C 695 44.359 44.359 42.012 2.347 18182 4702 1 8 . 1 1 37 37 TYR H H 695 8.805 8.805 8.873 -0.068 18182 4703 1 8 . 1 1 38 38 LEU N N 696 115.449 115.449 116.163 -0.714 18182 4704 1 8 . 1 1 38 38 LEU HA H 696 5.159 5.159 4.870 0.289 18182 4705 1 8 . 1 1 38 38 LEU C C 696 174.331 174.331 174.538 -0.207 18182 4706 1 8 . 1 1 38 38 LEU CA C 696 53.857 53.857 55.018 -1.161 18182 4707 1 8 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.668 1.225 18182 4708 1 8 . 1 1 38 38 LEU H H 696 9.105 9.105 8.235 0.870 18182 4709 1 8 . 1 1 39 39 ILE N N 697 121.911 121.911 122.249 -0.338 18182 4710 1 8 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.462 0.957 18182 4711 1 8 . 1 1 39 39 ILE C C 697 173.476 173.476 174.920 -1.444 18182 4712 1 8 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.746 -0.821 18182 4713 1 8 . 1 1 39 39 ILE CB C 697 38.929 38.929 39.434 -0.505 18182 4714 1 8 . 1 1 39 39 ILE H H 697 9.313 9.313 8.381 0.932 18182 4715 1 8 . 1 1 40 40 ARG N N 698 122.878 122.878 125.900 -3.022 18182 4716 1 8 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.930 0.362 18182 4717 1 8 . 1 1 40 40 ARG C C 698 174.308 174.308 175.137 -0.829 18182 4718 1 8 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.733 -1.989 18182 4719 1 8 . 1 1 40 40 ARG CB C 698 33.517 33.517 32.476 1.041 18182 4720 1 8 . 1 1 40 40 ARG H H 698 9.185 9.185 9.063 0.122 18182 4721 1 8 . 1 1 41 41 GLU N N 699 122.405 122.405 122.572 -0.167 18182 4722 1 8 . 1 1 41 41 GLU HA H 699 4.897 4.897 3.978 0.919 18182 4723 1 8 . 1 1 41 41 GLU C C 699 176.242 176.242 175.506 0.736 18182 4724 1 8 . 1 1 41 41 GLU CA C 699 55.526 55.526 56.978 -1.452 18182 4725 1 8 . 1 1 41 41 GLU CB C 699 32.133 32.133 30.796 1.337 18182 4726 1 8 . 1 1 41 41 GLU H H 699 8.634 8.634 8.159 0.475 18182 4727 1 8 . 1 1 42 42 ARG N N 700 125.045 125.045 125.910 -0.865 18182 4728 1 8 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.910 -0.216 18182 4729 1 8 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.276 0.297 18182 4730 1 8 . 1 1 42 42 ARG H H 700 8.639 8.639 7.627 1.012 18182 4731 1 8 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.331 0.083 18182 4732 1 8 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.019 0.392 18182 4733 1 8 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.117 -0.619 18182 4734 1 8 . 1 1 44 44 ALA N N 702 122.925 122.925 127.472 -4.547 18182 4735 1 8 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.566 -0.244 18182 4736 1 8 . 1 1 44 44 ALA C C 702 176.610 176.610 176.863 -0.253 18182 4737 1 8 . 1 1 44 44 ALA CA C 702 51.802 51.802 50.571 1.231 18182 4738 1 8 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.507 -1.116 18182 4739 1 8 . 1 1 44 44 ALA H H 702 7.888 7.888 7.684 0.204 18182 4740 1 8 . 1 1 45 45 GLU N N 703 118.799 118.799 120.414 -1.615 18182 4741 1 8 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.154 0.083 18182 4742 1 8 . 1 1 45 45 GLU C C 703 176.717 176.717 177.695 -0.978 18182 4743 1 8 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.487 -1.586 18182 4744 1 8 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.568 0.518 18182 4745 1 8 . 1 1 45 45 GLU H H 703 7.947 7.947 8.889 -0.942 18182 4746 1 8 . 1 1 46 46 ALA N N 704 120.631 120.631 121.624 -0.993 18182 4747 1 8 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.293 0.122 18182 4748 1 8 . 1 1 46 46 ALA C C 704 178.411 178.411 176.934 1.477 18182 4749 1 8 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.688 0.520 18182 4750 1 8 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.210 0.033 18182 4751 1 8 . 1 1 46 46 ALA H H 704 8.643 8.643 7.965 0.678 18182 4752 1 8 . 1 1 47 47 GLU N N 705 119.341 119.341 117.023 2.318 18182 4753 1 8 . 1 1 47 47 GLU HA H 705 4.856 4.856 5.073 -0.217 18182 4754 1 8 . 1 1 47 47 GLU C C 705 176.013 176.013 175.966 0.047 18182 4755 1 8 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.811 -0.953 18182 4756 1 8 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.505 -3.671 18182 4757 1 8 . 1 1 47 47 GLU H H 705 7.635 7.635 8.105 -0.470 18182 4758 1 8 . 1 1 48 48 ARG N N 706 120.355 120.355 121.844 -1.489 18182 4759 1 8 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.510 -0.545 18182 4760 1 8 . 1 1 48 48 ARG C C 706 175.117 175.117 175.128 -0.011 18182 4761 1 8 . 1 1 48 48 ARG CA C 706 58.155 58.155 55.678 2.477 18182 4762 1 8 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.268 -1.577 18182 4763 1 8 . 1 1 48 48 ARG H H 706 7.971 7.971 8.296 -0.325 18182 4764 1 8 . 1 1 49 49 PHE N N 707 112.251 112.251 116.857 -4.606 18182 4765 1 8 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.905 1.000 18182 4766 1 8 . 1 1 49 49 PHE C C 707 173.875 173.875 173.597 0.278 18182 4767 1 8 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.726 -1.917 18182 4768 1 8 . 1 1 49 49 PHE CB C 707 43.075 43.075 44.150 -1.075 18182 4769 1 8 . 1 1 49 49 PHE H H 707 7.857 7.857 7.468 0.389 18182 4770 1 8 . 1 1 50 50 ALA N N 708 118.730 118.730 123.218 -4.488 18182 4771 1 8 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.197 0.257 18182 4772 1 8 . 1 1 50 50 ALA C C 708 176.479 176.479 175.566 0.913 18182 4773 1 8 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.193 -0.351 18182 4774 1 8 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.232 0.486 18182 4775 1 8 . 1 1 50 50 ALA H H 708 9.205 9.205 9.289 -0.084 18182 4776 1 8 . 1 1 51 51 ILE N N 709 120.037 120.037 124.705 -4.668 18182 4777 1 8 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.833 -0.087 18182 4778 1 8 . 1 1 51 51 ILE C C 709 175.120 175.120 175.173 -0.053 18182 4779 1 8 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.445 0.278 18182 4780 1 8 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.511 -0.211 18182 4781 1 8 . 1 1 51 51 ILE H H 709 9.262 9.262 9.120 0.142 18182 4782 1 8 . 1 1 52 52 SER N N 710 125.087 125.087 118.588 6.499 18182 4783 1 8 . 1 1 52 52 SER HA H 710 5.468 5.468 5.028 0.440 18182 4784 1 8 . 1 1 52 52 SER C C 710 172.060 172.060 172.730 -0.670 18182 4785 1 8 . 1 1 52 52 SER CA C 710 57.761 57.761 56.772 0.989 18182 4786 1 8 . 1 1 52 52 SER CB C 710 65.210 65.210 64.786 0.424 18182 4787 1 8 . 1 1 52 52 SER H H 710 9.205 9.205 8.937 0.268 18182 4788 1 8 . 1 1 53 53 ILE N N 711 121.753 121.753 126.777 -5.024 18182 4789 1 8 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.110 0.085 18182 4790 1 8 . 1 1 53 53 ILE C C 711 173.070 173.070 173.388 -0.318 18182 4791 1 8 . 1 1 53 53 ILE CA C 711 57.755 57.755 58.798 -1.044 18182 4792 1 8 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.592 0.765 18182 4793 1 8 . 1 1 53 53 ILE H H 711 8.989 8.989 8.055 0.934 18182 4794 1 8 . 1 1 54 54 LYS N N 712 128.758 128.758 128.126 0.632 18182 4795 1 8 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.086 -0.299 18182 4796 1 8 . 1 1 54 54 LYS C C 712 174.899 174.899 174.748 0.151 18182 4797 1 8 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.918 -0.551 18182 4798 1 8 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.808 -0.450 18182 4799 1 8 . 1 1 54 54 LYS H H 712 8.894 8.894 9.013 -0.119 18182 4800 1 8 . 1 1 55 55 PHE N N 713 130.369 130.369 127.004 3.365 18182 4801 1 8 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.797 0.150 18182 4802 1 8 . 1 1 55 55 PHE C C 713 174.238 174.238 173.893 0.345 18182 4803 1 8 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.151 1.014 18182 4804 1 8 . 1 1 55 55 PHE CB C 713 41.804 41.804 43.291 -1.487 18182 4805 1 8 . 1 1 55 55 PHE H H 713 9.464 9.464 9.202 0.262 18182 4806 1 8 . 1 1 56 56 ASN N N 714 125.719 125.719 125.808 -0.089 18182 4807 1 8 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.148 -0.207 18182 4808 1 8 . 1 1 56 56 ASN C C 714 174.003 174.003 174.857 -0.854 18182 4809 1 8 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.791 1.439 18182 4810 1 8 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.069 -0.929 18182 4811 1 8 . 1 1 56 56 ASN H H 714 8.411 8.411 8.840 -0.429 18182 4812 1 8 . 1 1 57 57 ASP N N 715 117.904 117.904 113.234 4.670 18182 4813 1 8 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.315 0.306 18182 4814 1 8 . 1 1 57 57 ASP C C 715 174.858 174.858 174.852 0.006 18182 4815 1 8 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.146 -0.964 18182 4816 1 8 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.237 0.649 18182 4817 1 8 . 1 1 57 57 ASP H H 715 8.542 8.542 8.344 0.198 18182 4818 1 8 . 1 1 58 58 GLU N N 716 118.707 118.707 117.353 1.354 18182 4819 1 8 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.640 0.070 18182 4820 1 8 . 1 1 58 58 GLU C C 716 173.755 173.755 174.728 -0.973 18182 4821 1 8 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.178 -0.131 18182 4822 1 8 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.761 0.525 18182 4823 1 8 . 1 1 58 58 GLU H H 716 7.889 7.889 7.612 0.277 18182 4824 1 8 . 1 1 59 59 VAL N N 717 120.720 120.720 124.154 -3.434 18182 4825 1 8 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.362 0.068 18182 4826 1 8 . 1 1 59 59 VAL C C 717 175.071 175.071 176.296 -1.225 18182 4827 1 8 . 1 1 59 59 VAL CA C 717 62.139 62.139 61.864 0.275 18182 4828 1 8 . 1 1 59 59 VAL CB C 717 32.071 32.071 32.255 -0.185 18182 4829 1 8 . 1 1 59 59 VAL H H 717 8.536 8.536 8.587 -0.051 18182 4830 1 8 . 1 1 60 60 LYS N N 718 126.403 126.403 126.127 0.276 18182 4831 1 8 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.788 -0.233 18182 4832 1 8 . 1 1 60 60 LYS C C 718 174.578 174.578 174.908 -0.330 18182 4833 1 8 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.881 -0.764 18182 4834 1 8 . 1 1 60 60 LYS CB C 718 34.906 34.906 35.318 -0.412 18182 4835 1 8 . 1 1 60 60 LYS H H 718 8.879 8.879 9.024 -0.145 18182 4836 1 8 . 1 1 61 61 HIS N N 719 118.939 118.939 118.284 0.655 18182 4837 1 8 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.457 0.053 18182 4838 1 8 . 1 1 61 61 HIS C C 719 174.482 174.482 174.901 -0.419 18182 4839 1 8 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.237 0.181 18182 4840 1 8 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.887 2.362 18182 4841 1 8 . 1 1 61 61 HIS H H 719 8.846 8.846 8.436 0.410 18182 4842 1 8 . 1 1 62 62 ILE N N 720 124.690 124.690 124.369 0.321 18182 4843 1 8 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.394 0.114 18182 4844 1 8 . 1 1 62 62 ILE C C 720 176.221 176.221 174.553 1.668 18182 4845 1 8 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.248 0.035 18182 4846 1 8 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.852 3.171 18182 4847 1 8 . 1 1 62 62 ILE H H 720 9.704 9.704 9.216 0.488 18182 4848 1 8 . 1 1 63 63 LYS N N 721 126.432 126.432 128.224 -1.792 18182 4849 1 8 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.700 -0.565 18182 4850 1 8 . 1 1 63 63 LYS C C 721 174.783 174.783 175.719 -0.936 18182 4851 1 8 . 1 1 63 63 LYS CA C 721 58.478 58.478 55.910 2.568 18182 4852 1 8 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.403 0.450 18182 4853 1 8 . 1 1 63 63 LYS H H 721 9.100 9.100 8.629 0.471 18182 4854 1 8 . 1 1 64 64 VAL N N 722 123.306 123.306 122.374 0.932 18182 4855 1 8 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.270 -0.012 18182 4856 1 8 . 1 1 64 64 VAL C C 722 174.284 174.284 174.670 -0.386 18182 4857 1 8 . 1 1 64 64 VAL CA C 722 61.293 61.293 60.774 0.519 18182 4858 1 8 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.583 -0.037 18182 4859 1 8 . 1 1 64 64 VAL H H 722 8.441 8.441 8.869 -0.428 18182 4860 1 8 . 1 1 65 65 VAL N N 723 126.508 126.508 126.199 0.309 18182 4861 1 8 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.721 -0.439 18182 4862 1 8 . 1 1 65 65 VAL C C 723 174.127 174.127 174.654 -0.527 18182 4863 1 8 . 1 1 65 65 VAL CA C 723 61.600 61.600 59.997 1.603 18182 4864 1 8 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.864 -0.147 18182 4865 1 8 . 1 1 65 65 VAL H H 723 8.462 8.462 9.042 -0.580 18182 4866 1 8 . 1 1 66 66 GLU N N 724 126.016 126.016 126.800 -0.784 18182 4867 1 8 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.907 0.319 18182 4868 1 8 . 1 1 66 66 GLU C C 724 175.409 175.409 175.230 0.179 18182 4869 1 8 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.046 -0.295 18182 4870 1 8 . 1 1 66 66 GLU CB C 724 32.457 32.457 32.050 0.407 18182 4871 1 8 . 1 1 66 66 GLU H H 724 8.619 8.619 8.130 0.489 18182 4872 1 8 . 1 1 67 67 LYS N N 725 125.813 125.813 126.824 -1.011 18182 4873 1 8 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.679 -0.182 18182 4874 1 8 . 1 1 67 67 LYS C C 725 175.635 175.635 176.395 -0.760 18182 4875 1 8 . 1 1 67 67 LYS CA C 725 56.423 56.423 54.962 1.461 18182 4876 1 8 . 1 1 67 67 LYS CB C 725 35.298 35.298 34.443 0.855 18182 4877 1 8 . 1 1 67 67 LYS H H 725 8.740 8.740 8.601 0.139 18182 4878 1 8 . 1 1 68 68 ASP N N 726 126.958 126.958 124.100 2.858 18182 4879 1 8 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.258 -0.027 18182 4880 1 8 . 1 1 68 68 ASP C C 726 174.341 174.341 176.122 -1.781 18182 4881 1 8 . 1 1 68 68 ASP CA C 726 56.253 56.253 56.982 -0.729 18182 4882 1 8 . 1 1 68 68 ASP CB C 726 39.499 39.499 40.436 -0.937 18182 4883 1 8 . 1 1 68 68 ASP H H 726 9.499 9.499 9.059 0.440 18182 4884 1 8 . 1 1 69 69 ASN N N 727 110.214 110.214 117.429 -7.215 18182 4885 1 8 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.663 -0.398 18182 4886 1 8 . 1 1 69 69 ASN C C 727 173.779 173.779 172.752 1.027 18182 4887 1 8 . 1 1 69 69 ASN CA C 727 54.689 54.689 52.465 2.224 18182 4888 1 8 . 1 1 69 69 ASN CB C 727 37.488 37.488 40.143 -2.655 18182 4889 1 8 . 1 1 69 69 ASN H H 727 8.348 8.348 7.778 0.570 18182 4890 1 8 . 1 1 70 70 TRP N N 728 119.007 119.007 118.579 0.428 18182 4891 1 8 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.341 0.049 18182 4892 1 8 . 1 1 70 70 TRP C C 728 174.779 174.779 174.545 0.234 18182 4893 1 8 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.689 1.137 18182 4894 1 8 . 1 1 70 70 TRP CB C 728 33.555 33.555 31.681 1.874 18182 4895 1 8 . 1 1 70 70 TRP H H 728 8.063 8.063 8.197 -0.134 18182 4896 1 8 . 1 1 71 71 ILE N N 729 122.016 122.016 122.640 -0.624 18182 4897 1 8 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.442 1.158 18182 4898 1 8 . 1 1 71 71 ILE C C 729 175.184 175.184 174.217 0.967 18182 4899 1 8 . 1 1 71 71 ILE CA C 729 58.854 58.854 60.232 -1.378 18182 4900 1 8 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.185 1.411 18182 4901 1 8 . 1 1 71 71 ILE H H 729 9.378 9.378 8.984 0.394 18182 4902 1 8 . 1 1 72 72 HIS N N 730 121.306 121.306 123.679 -2.373 18182 4903 1 8 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.157 0.061 18182 4904 1 8 . 1 1 72 72 HIS C C 730 173.714 173.714 174.113 -0.399 18182 4905 1 8 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.851 0.791 18182 4906 1 8 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.651 0.854 18182 4907 1 8 . 1 1 72 72 HIS H H 730 9.048 9.048 8.138 0.910 18182 4908 1 8 . 1 1 73 73 ILE N N 731 112.643 112.643 113.773 -1.130 18182 4909 1 8 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.768 0.169 18182 4910 1 8 . 1 1 73 73 ILE C C 731 175.442 175.442 175.557 -0.115 18182 4911 1 8 . 1 1 73 73 ILE CA C 731 62.678 62.678 61.705 0.973 18182 4912 1 8 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.581 -0.175 18182 4913 1 8 . 1 1 73 73 ILE H H 731 9.499 9.499 8.632 0.867 18182 4914 1 8 . 1 1 74 74 THR N N 732 115.752 115.752 112.930 2.822 18182 4915 1 8 . 1 1 74 74 THR HA H 732 4.812 4.812 4.474 0.338 18182 4916 1 8 . 1 1 74 74 THR C C 732 173.575 173.575 173.884 -0.309 18182 4917 1 8 . 1 1 74 74 THR CA C 732 58.650 58.650 59.666 -1.016 18182 4918 1 8 . 1 1 74 74 THR CB C 732 70.177 70.177 71.295 -1.118 18182 4919 1 8 . 1 1 74 74 THR H H 732 8.364 8.364 7.881 0.483 18182 4920 1 8 . 1 1 75 75 GLU N N 733 124.910 124.910 119.043 5.867 18182 4921 1 8 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.438 -1.465 18182 4922 1 8 . 1 1 75 75 GLU C C 733 175.609 175.609 175.100 0.509 18182 4923 1 8 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.428 2.235 18182 4924 1 8 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.102 -0.139 18182 4925 1 8 . 1 1 75 75 GLU H H 733 8.754 8.754 8.718 0.036 18182 4926 1 8 . 1 1 76 76 ALA N N 734 117.847 117.847 122.029 -4.182 18182 4927 1 8 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.304 -0.364 18182 4928 1 8 . 1 1 76 76 ALA C C 734 177.033 177.033 176.720 0.313 18182 4929 1 8 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.771 0.403 18182 4930 1 8 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.595 -1.102 18182 4931 1 8 . 1 1 76 76 ALA H H 734 7.538 7.538 7.707 -0.169 18182 4932 1 8 . 1 1 77 77 LYS N N 735 119.518 119.518 121.162 -1.644 18182 4933 1 8 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.087 0.024 18182 4934 1 8 . 1 1 77 77 LYS C C 735 171.953 171.953 174.927 -2.974 18182 4935 1 8 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.614 -0.915 18182 4936 1 8 . 1 1 77 77 LYS CB C 735 33.285 33.285 32.935 0.350 18182 4937 1 8 . 1 1 77 77 LYS H H 735 7.326 7.326 7.588 -0.262 18182 4938 1 8 . 1 1 78 78 LYS N N 736 123.200 123.200 122.060 1.140 18182 4939 1 8 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.233 0.498 18182 4940 1 8 . 1 1 78 78 LYS C C 736 175.123 175.123 175.407 -0.284 18182 4941 1 8 . 1 1 78 78 LYS CA C 736 55.110 55.110 55.482 -0.372 18182 4942 1 8 . 1 1 78 78 LYS CB C 736 34.970 34.970 33.578 1.392 18182 4943 1 8 . 1 1 78 78 LYS H H 736 7.893 7.893 7.944 -0.051 18182 4944 1 8 . 1 1 79 79 PHE N N 737 117.916 117.916 124.041 -6.125 18182 4945 1 8 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.900 0.094 18182 4946 1 8 . 1 1 79 79 PHE C C 737 175.595 175.595 176.952 -1.357 18182 4947 1 8 . 1 1 79 79 PHE CA C 737 56.941 56.941 55.746 1.195 18182 4948 1 8 . 1 1 79 79 PHE CB C 737 43.413 43.413 41.153 2.260 18182 4949 1 8 . 1 1 79 79 PHE H H 737 9.121 9.121 8.593 0.528 18182 4950 1 8 . 1 1 80 80 ASP N N 738 119.341 119.341 118.224 1.117 18182 4951 1 8 . 1 1 80 80 ASP HA H 738 4.749 4.749 4.967 -0.218 18182 4952 1 8 . 1 1 80 80 ASP C C 738 176.035 176.035 176.275 -0.240 18182 4953 1 8 . 1 1 80 80 ASP CA C 738 55.712 55.712 54.509 1.203 18182 4954 1 8 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.191 -0.481 18182 4955 1 8 . 1 1 80 80 ASP H H 738 9.377 9.377 8.821 0.556 18182 4956 1 8 . 1 1 81 81 SER N N 739 108.518 108.518 112.050 -3.532 18182 4957 1 8 . 1 1 81 81 SER HA H 739 4.694 4.694 4.596 0.098 18182 4958 1 8 . 1 1 81 81 SER C C 739 173.791 173.791 173.745 0.046 18182 4959 1 8 . 1 1 81 81 SER CA C 739 57.049 57.049 57.864 -0.815 18182 4960 1 8 . 1 1 81 81 SER CB C 739 66.839 66.839 64.837 2.002 18182 4961 1 8 . 1 1 81 81 SER H H 739 7.447 7.447 7.565 -0.118 18182 4962 1 8 . 1 1 82 82 LEU N N 740 122.626 122.626 125.851 -3.225 18182 4963 1 8 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.249 -0.438 18182 4964 1 8 . 1 1 82 82 LEU C C 740 177.172 177.172 178.040 -0.868 18182 4965 1 8 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.008 -0.539 18182 4966 1 8 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.357 -1.538 18182 4967 1 8 . 1 1 82 82 LEU H H 740 8.969 8.969 8.764 0.205 18182 4968 1 8 . 1 1 83 83 LEU N N 741 116.575 116.575 120.194 -3.619 18182 4969 1 8 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.961 -0.124 18182 4970 1 8 . 1 1 83 83 LEU C C 741 177.492 177.492 178.305 -0.813 18182 4971 1 8 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.906 -0.642 18182 4972 1 8 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.610 0.319 18182 4973 1 8 . 1 1 83 83 LEU H H 741 7.770 7.770 7.821 -0.051 18182 4974 1 8 . 1 1 84 84 GLU N N 742 116.865 116.865 118.874 -2.009 18182 4975 1 8 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.951 -0.033 18182 4976 1 8 . 1 1 84 84 GLU C C 742 178.252 178.252 178.655 -0.403 18182 4977 1 8 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.525 -0.134 18182 4978 1 8 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.180 1.279 18182 4979 1 8 . 1 1 84 84 GLU H H 742 7.585 7.585 7.930 -0.345 18182 4980 1 8 . 1 1 85 85 LEU N N 743 122.164 122.164 120.200 1.964 18182 4981 1 8 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.835 -0.807 18182 4982 1 8 . 1 1 85 85 LEU C C 743 177.335 177.335 178.642 -1.307 18182 4983 1 8 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.661 1.110 18182 4984 1 8 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.971 -0.144 18182 4985 1 8 . 1 1 85 85 LEU H H 743 7.109 7.109 7.216 -0.107 18182 4986 1 8 . 1 1 86 86 VAL N N 744 119.760 119.760 118.918 0.842 18182 4987 1 8 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.372 -0.519 18182 4988 1 8 . 1 1 86 86 VAL C C 744 177.675 177.675 178.215 -0.540 18182 4989 1 8 . 1 1 86 86 VAL CA C 744 67.113 67.113 67.000 0.113 18182 4990 1 8 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.101 0.010 18182 4991 1 8 . 1 1 86 86 VAL H H 744 8.113 8.113 8.276 -0.163 18182 4992 1 8 . 1 1 87 87 GLU N N 745 116.227 116.227 119.457 -3.230 18182 4993 1 8 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.840 -0.078 18182 4994 1 8 . 1 1 87 87 GLU C C 745 179.530 179.530 179.151 0.379 18182 4995 1 8 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.738 -0.300 18182 4996 1 8 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.669 -0.517 18182 4997 1 8 . 1 1 87 87 GLU H H 745 8.182 8.182 8.414 -0.232 18182 4998 1 8 . 1 1 88 88 TYR N N 746 120.102 120.102 120.115 -0.013 18182 4999 1 8 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.141 0.006 18182 5000 1 8 . 1 1 88 88 TYR C C 746 179.970 179.970 178.316 1.654 18182 5001 1 8 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.950 0.780 18182 5002 1 8 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.344 0.544 18182 5003 1 8 . 1 1 88 88 TYR H H 746 7.795 7.795 8.357 -0.562 18182 5004 1 8 . 1 1 89 89 TYR N N 747 118.508 118.508 117.651 0.857 18182 5005 1 8 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.536 0.565 18182 5006 1 8 . 1 1 89 89 TYR C C 747 175.885 175.885 178.613 -2.728 18182 5007 1 8 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.411 -0.234 18182 5008 1 8 . 1 1 89 89 TYR CB C 747 37.043 37.043 38.009 -0.966 18182 5009 1 8 . 1 1 89 89 TYR H H 747 7.798 7.798 8.451 -0.653 18182 5010 1 8 . 1 1 90 90 GLN N N 748 118.741 118.741 117.817 0.924 18182 5011 1 8 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.872 0.548 18182 5012 1 8 . 1 1 90 90 GLN C C 748 177.767 177.767 176.569 1.198 18182 5013 1 8 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.547 -0.676 18182 5014 1 8 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.700 -0.027 18182 5015 1 8 . 1 1 90 90 GLN H H 748 7.925 7.925 7.906 0.019 18182 5016 1 8 . 1 1 91 91 CYS N N 749 111.312 111.312 114.270 -2.958 18182 5017 1 8 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.317 0.324 18182 5018 1 8 . 1 1 91 91 CYS C C 749 173.010 173.010 174.821 -1.811 18182 5019 1 8 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.496 -0.961 18182 5020 1 8 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.409 -0.230 18182 5021 1 8 . 1 1 91 91 CYS H H 749 7.178 7.178 7.300 -0.121 18182 5022 1 8 . 1 1 92 92 HIS N N 750 120.386 120.386 119.869 0.517 18182 5023 1 8 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.560 -0.192 18182 5024 1 8 . 1 1 92 92 HIS C C 750 171.815 171.815 174.584 -2.769 18182 5025 1 8 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.769 -0.601 18182 5026 1 8 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.523 -1.217 18182 5027 1 8 . 1 1 92 92 HIS H H 750 7.540 7.540 7.966 -0.426 18182 5028 1 8 . 1 1 93 93 SER N N 751 113.259 113.259 117.372 -4.113 18182 5029 1 8 . 1 1 93 93 SER HA H 751 3.812 3.812 4.421 -0.609 18182 5030 1 8 . 1 1 93 93 SER C C 751 176.644 176.644 175.991 0.653 18182 5031 1 8 . 1 1 93 93 SER CA C 751 58.040 58.040 57.657 0.383 18182 5032 1 8 . 1 1 93 93 SER CB C 751 62.954 62.954 63.955 -1.001 18182 5033 1 8 . 1 1 93 93 SER H H 751 8.397 8.397 8.808 -0.411 18182 5034 1 8 . 1 1 94 94 LEU N N 752 127.166 127.166 126.983 0.183 18182 5035 1 8 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.485 -0.345 18182 5036 1 8 . 1 1 94 94 LEU C C 752 177.462 177.462 178.322 -0.860 18182 5037 1 8 . 1 1 94 94 LEU CA C 752 58.300 58.300 57.338 0.962 18182 5038 1 8 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.857 0.475 18182 5039 1 8 . 1 1 94 94 LEU H H 752 8.580 8.580 8.621 -0.041 18182 5040 1 8 . 1 1 95 95 LYS N N 753 122.119 122.119 119.089 3.030 18182 5041 1 8 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.390 0.050 18182 5042 1 8 . 1 1 95 95 LYS C C 753 176.253 176.253 178.982 -2.729 18182 5043 1 8 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.783 -1.554 18182 5044 1 8 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.757 0.587 18182 5045 1 8 . 1 1 95 95 LYS H H 753 8.322 8.322 7.553 0.769 18182 5046 1 8 . 1 1 96 96 GLU N N 754 115.310 115.310 118.823 -3.513 18182 5047 1 8 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.038 0.099 18182 5048 1 8 . 1 1 96 96 GLU C C 754 176.704 176.704 177.755 -1.051 18182 5049 1 8 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.621 -0.132 18182 5050 1 8 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.433 0.244 18182 5051 1 8 . 1 1 96 96 GLU H H 754 7.197 7.197 7.886 -0.689 18182 5052 1 8 . 1 1 97 97 SER N N 755 113.390 113.390 113.541 -0.151 18182 5053 1 8 . 1 1 97 97 SER HA H 755 4.583 4.583 4.283 0.300 18182 5054 1 8 . 1 1 97 97 SER C C 755 171.185 171.185 174.897 -3.712 18182 5055 1 8 . 1 1 97 97 SER CA C 755 59.569 59.569 59.469 0.100 18182 5056 1 8 . 1 1 97 97 SER CB C 755 66.435 66.435 64.403 2.032 18182 5057 1 8 . 1 1 97 97 SER H H 755 7.857 7.857 7.826 0.031 18182 5058 1 8 . 1 1 98 98 PHE N N 756 121.328 121.328 122.760 -1.432 18182 5059 1 8 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.859 -0.094 18182 5060 1 8 . 1 1 98 98 PHE C C 756 175.774 175.774 175.733 0.041 18182 5061 1 8 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.698 0.173 18182 5062 1 8 . 1 1 98 98 PHE CB C 756 39.711 39.711 39.364 0.347 18182 5063 1 8 . 1 1 98 98 PHE H H 756 8.409 8.409 8.645 -0.236 18182 5064 1 8 . 1 1 99 99 LYS N N 757 121.656 121.656 124.856 -3.200 18182 5065 1 8 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.184 -0.071 18182 5066 1 8 . 1 1 99 99 LYS C C 757 177.188 177.188 177.475 -0.287 18182 5067 1 8 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.099 0.637 18182 5068 1 8 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.157 0.199 18182 5069 1 8 . 1 1 99 99 LYS H H 757 8.602 8.602 8.796 -0.194 18182 5070 1 8 . 1 1 100 100 GLN N N 758 115.783 115.783 117.932 -2.149 18182 5071 1 8 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.242 0.141 18182 5072 1 8 . 1 1 100 100 GLN C C 758 175.849 175.849 176.233 -0.384 18182 5073 1 8 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.358 -1.526 18182 5074 1 8 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.973 -0.656 18182 5075 1 8 . 1 1 100 100 GLN H H 758 9.139 9.139 8.315 0.824 18182 5076 1 8 . 1 1 101 101 LEU N N 759 124.876 124.876 119.148 5.728 18182 5077 1 8 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.669 -0.977 18182 5078 1 8 . 1 1 101 101 LEU C C 759 173.219 173.219 175.657 -2.438 18182 5079 1 8 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.822 -2.373 18182 5080 1 8 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.906 -1.918 18182 5081 1 8 . 1 1 101 101 LEU H H 759 7.924 7.924 7.789 0.135 18182 5082 1 8 . 1 1 102 102 ASP N N 760 119.263 119.263 117.337 1.926 18182 5083 1 8 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.701 -0.134 18182 5084 1 8 . 1 1 102 102 ASP C C 760 173.570 173.570 174.593 -1.023 18182 5085 1 8 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.736 -1.861 18182 5086 1 8 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.130 -3.100 18182 5087 1 8 . 1 1 102 102 ASP H H 760 6.564 6.564 8.155 -1.591 18182 5088 1 8 . 1 1 103 103 THR N N 761 117.311 117.311 113.476 3.835 18182 5089 1 8 . 1 1 103 103 THR HA H 761 4.701 4.701 4.294 0.407 18182 5090 1 8 . 1 1 103 103 THR C C 761 172.169 172.169 172.449 -0.280 18182 5091 1 8 . 1 1 103 103 THR CA C 761 60.491 60.491 59.798 0.693 18182 5092 1 8 . 1 1 103 103 THR CB C 761 69.358 69.358 70.226 -0.868 18182 5093 1 8 . 1 1 103 103 THR H H 761 7.699 7.699 7.518 0.181 18182 5094 1 8 . 1 1 104 104 THR N N 762 114.211 114.211 112.221 1.990 18182 5095 1 8 . 1 1 104 104 THR HA H 762 4.603 4.603 4.464 0.139 18182 5096 1 8 . 1 1 104 104 THR C C 762 175.647 175.647 172.985 2.662 18182 5097 1 8 . 1 1 104 104 THR CA C 762 60.899 60.899 60.049 0.850 18182 5098 1 8 . 1 1 104 104 THR CB C 762 70.981 70.981 71.530 -0.549 18182 5099 1 8 . 1 1 104 104 THR H H 762 7.300 7.300 7.968 -0.668 18182 5100 1 8 . 1 1 105 105 LEU N N 763 117.640 117.640 121.273 -3.633 18182 5101 1 8 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.681 -0.158 18182 5102 1 8 . 1 1 105 105 LEU C C 763 174.500 174.500 176.160 -1.660 18182 5103 1 8 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.014 -0.859 18182 5104 1 8 . 1 1 105 105 LEU CB C 763 35.747 35.747 40.468 -4.721 18182 5105 1 8 . 1 1 105 105 LEU H H 763 8.113 8.113 8.376 -0.263 18182 5106 1 8 . 1 1 106 106 LYS N N 764 127.345 127.345 125.226 2.119 18182 5107 1 8 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.327 -0.316 18182 5108 1 8 . 1 1 106 106 LYS C C 764 176.781 176.781 175.934 0.847 18182 5109 1 8 . 1 1 106 106 LYS CA C 764 59.888 59.888 55.874 4.014 18182 5110 1 8 . 1 1 106 106 LYS CB C 764 35.223 35.223 35.292 -0.069 18182 5111 1 8 . 1 1 106 106 LYS H H 764 7.181 7.181 8.326 -1.145 18182 5112 1 8 . 1 1 107 107 TYR N N 765 115.756 115.756 120.386 -4.630 18182 5113 1 8 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.035 0.486 18182 5114 1 8 . 1 1 107 107 TYR C C 765 172.106 172.106 173.282 -1.176 18182 5115 1 8 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.018 -2.397 18182 5116 1 8 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.732 1.786 18182 5117 1 8 . 1 1 107 107 TYR H H 765 7.877 7.877 8.148 -0.271 18182 5118 1 8 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.139 -0.466 18182 5119 1 8 . 1 1 108 108 PRO C C 766 180.696 180.696 176.424 4.272 18182 5120 1 8 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.975 0.636 18182 5121 1 8 . 1 1 109 109 TYR N N 767 122.570 122.570 114.904 7.666 18182 5122 1 8 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.062 -0.245 18182 5123 1 8 . 1 1 109 109 TYR C C 767 174.769 174.769 176.895 -2.126 18182 5124 1 8 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.684 0.499 18182 5125 1 8 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.743 -0.276 18182 5126 1 8 . 1 1 109 109 TYR H H 767 8.341 8.341 8.036 0.305 18182 5127 1 8 . 1 1 110 110 LYS N N 768 118.398 118.398 116.703 1.695 18182 5128 1 8 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.514 -0.572 18182 5129 1 8 . 1 1 110 110 LYS C C 768 176.453 176.453 176.563 -0.110 18182 5130 1 8 . 1 1 110 110 LYS CA C 768 56.901 56.901 56.835 0.066 18182 5131 1 8 . 1 1 110 110 LYS CB C 768 32.581 32.581 34.536 -1.955 18182 5132 1 8 . 1 1 110 110 LYS H H 768 6.790 6.790 6.836 -0.046 18182 5133 1 8 . 1 1 111 111 SER N N 769 114.260 114.260 114.282 -0.022 18182 5134 1 8 . 1 1 111 111 SER HA H 769 4.384 4.384 4.032 0.352 18182 5135 1 8 . 1 1 111 111 SER C C 769 174.124 174.124 174.185 -0.061 18182 5136 1 8 . 1 1 111 111 SER CA C 769 58.802 58.802 59.220 -0.418 18182 5137 1 8 . 1 1 111 111 SER CB C 769 64.206 64.206 62.115 2.091 18182 5138 1 8 . 1 1 111 111 SER H H 769 7.769 7.769 7.758 0.011 18182 5139 1 8 . 1 1 112 112 ARG N N 770 122.485 122.485 117.626 4.859 18182 5140 1 8 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.026 0.352 18182 5141 1 8 . 1 1 112 112 ARG C C 770 175.139 175.139 175.928 -0.789 18182 5142 1 8 . 1 1 112 112 ARG CA C 770 55.628 55.628 57.056 -1.428 18182 5143 1 8 . 1 1 112 112 ARG CB C 770 30.935 30.935 29.107 1.828 18182 5144 1 8 . 1 1 112 112 ARG H H 770 8.109 8.109 8.321 -0.212 18182 5145 1 9 . 1 1 2 2 ARG N N 660 123.565 123.565 123.937 -0.372 18182 5146 1 9 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.267 0.363 18182 5147 1 9 . 1 1 2 2 ARG C C 660 173.529 173.529 173.337 0.192 18182 5148 1 9 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.753 -2.884 18182 5149 1 9 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.529 0.899 18182 5150 1 9 . 1 1 2 2 ARG H H 660 8.295 8.295 8.573 -0.278 18182 5151 1 9 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.605 0.067 18182 5152 1 9 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.506 -0.094 18182 5153 1 9 . 1 1 4 4 PRO C C 662 177.096 177.096 176.345 0.751 18182 5154 1 9 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.026 0.270 18182 5155 1 9 . 1 1 4 4 PRO CB C 662 32.022 32.022 31.714 0.308 18182 5156 1 9 . 1 1 5 5 SER N N 663 116.025 116.025 118.274 -2.249 18182 5157 1 9 . 1 1 5 5 SER HA H 663 4.374 4.374 4.835 -0.461 18182 5158 1 9 . 1 1 5 5 SER C C 663 174.815 174.815 173.378 1.437 18182 5159 1 9 . 1 1 5 5 SER CA C 663 58.797 58.797 57.044 1.753 18182 5160 1 9 . 1 1 5 5 SER CB C 663 64.024 64.024 65.349 -1.325 18182 5161 1 9 . 1 1 5 5 SER H H 663 8.406 8.406 8.217 0.189 18182 5162 1 9 . 1 1 6 6 ARG N N 664 122.062 122.062 121.604 0.458 18182 5163 1 9 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.694 -0.315 18182 5164 1 9 . 1 1 6 6 ARG C C 664 175.958 175.958 175.245 0.713 18182 5165 1 9 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.010 0.126 18182 5166 1 9 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.191 0.521 18182 5167 1 9 . 1 1 6 6 ARG H H 664 8.371 8.371 8.556 -0.185 18182 5168 1 9 . 1 1 7 7 GLU N N 665 122.160 122.160 124.097 -1.937 18182 5169 1 9 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.667 -0.354 18182 5170 1 9 . 1 1 7 7 GLU C C 665 175.842 175.842 175.526 0.316 18182 5171 1 9 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.583 0.827 18182 5172 1 9 . 1 1 7 7 GLU CB C 665 29.972 29.972 32.297 -2.325 18182 5173 1 9 . 1 1 7 7 GLU H H 665 8.352 8.352 8.597 -0.245 18182 5174 1 9 . 1 1 8 8 ILE N N 666 123.828 123.828 122.719 1.109 18182 5175 1 9 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.357 -0.517 18182 5176 1 9 . 1 1 8 8 ILE C C 666 174.373 174.373 175.118 -0.745 18182 5177 1 9 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.079 -0.152 18182 5178 1 9 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.792 0.749 18182 5179 1 9 . 1 1 8 8 ILE H H 666 7.938 7.938 8.572 -0.634 18182 5180 1 9 . 1 1 9 9 ASP N N 667 124.338 124.338 128.536 -4.198 18182 5181 1 9 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.722 -0.103 18182 5182 1 9 . 1 1 9 9 ASP C C 667 177.006 177.006 176.548 0.458 18182 5183 1 9 . 1 1 9 9 ASP CA C 667 52.052 52.052 54.164 -2.112 18182 5184 1 9 . 1 1 9 9 ASP CB C 667 40.364 40.364 40.815 -0.451 18182 5185 1 9 . 1 1 9 9 ASP H H 667 8.111 8.111 8.793 -0.682 18182 5186 1 9 . 1 1 10 10 TYR N N 668 125.199 125.199 123.850 1.349 18182 5187 1 9 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.219 -0.031 18182 5188 1 9 . 1 1 10 10 TYR C C 668 175.947 175.947 176.959 -1.012 18182 5189 1 9 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.992 -0.309 18182 5190 1 9 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.658 -1.422 18182 5191 1 9 . 1 1 10 10 TYR H H 668 8.495 8.495 8.326 0.169 18182 5192 1 9 . 1 1 11 11 THR N N 669 108.617 108.617 110.953 -2.336 18182 5193 1 9 . 1 1 11 11 THR HA H 669 4.148 4.148 3.613 0.535 18182 5194 1 9 . 1 1 11 11 THR C C 669 175.184 175.184 175.601 -0.417 18182 5195 1 9 . 1 1 11 11 THR CA C 669 65.022 65.022 64.385 0.637 18182 5196 1 9 . 1 1 11 11 THR CB C 669 69.280 69.280 67.703 1.577 18182 5197 1 9 . 1 1 11 11 THR H H 669 8.011 8.011 7.754 0.257 18182 5198 1 9 . 1 1 12 12 ALA N N 670 121.275 121.275 122.626 -1.351 18182 5199 1 9 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.924 0.152 18182 5200 1 9 . 1 1 12 12 ALA C C 670 177.815 177.815 177.285 0.530 18182 5201 1 9 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.351 -0.795 18182 5202 1 9 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.453 0.421 18182 5203 1 9 . 1 1 12 12 ALA H H 670 7.411 7.411 7.221 0.190 18182 5204 1 9 . 1 1 13 13 TYR N N 671 117.883 117.883 117.332 0.551 18182 5205 1 9 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.440 -0.139 18182 5206 1 9 . 1 1 13 13 TYR C C 671 176.698 176.698 174.198 2.500 18182 5207 1 9 . 1 1 13 13 TYR CA C 671 56.986 56.986 55.193 1.793 18182 5208 1 9 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.783 -0.969 18182 5209 1 9 . 1 1 13 13 TYR H H 671 7.538 7.538 7.130 0.408 18182 5210 1 9 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.163 0.193 18182 5211 1 9 . 1 1 14 14 PRO C C 672 173.452 173.452 175.874 -2.422 18182 5212 1 9 . 1 1 14 14 PRO CA C 672 64.323 64.323 62.899 1.424 18182 5213 1 9 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.626 -1.403 18182 5214 1 9 . 1 1 15 15 TRP N N 673 110.044 110.044 113.013 -2.969 18182 5215 1 9 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.337 0.455 18182 5216 1 9 . 1 1 15 15 TRP C C 673 175.577 175.577 174.148 1.429 18182 5217 1 9 . 1 1 15 15 TRP CA C 673 53.157 53.157 56.992 -3.835 18182 5218 1 9 . 1 1 15 15 TRP CB C 673 32.373 32.373 26.130 6.243 18182 5219 1 9 . 1 1 15 15 TRP H H 673 6.229 6.229 8.150 -1.921 18182 5220 1 9 . 1 1 16 16 PHE N N 674 123.205 123.205 120.932 2.273 18182 5221 1 9 . 1 1 16 16 PHE HA H 674 5.171 5.171 5.140 0.031 18182 5222 1 9 . 1 1 16 16 PHE C C 674 174.832 174.832 173.957 0.875 18182 5223 1 9 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.334 3.538 18182 5224 1 9 . 1 1 16 16 PHE CB C 674 40.208 40.208 41.153 -0.945 18182 5225 1 9 . 1 1 16 16 PHE H H 674 7.625 7.625 7.595 0.030 18182 5226 1 9 . 1 1 17 17 ALA N N 675 130.669 130.669 128.703 1.966 18182 5227 1 9 . 1 1 17 17 ALA HA H 675 4.948 4.948 5.221 -0.273 18182 5228 1 9 . 1 1 17 17 ALA C C 675 177.266 177.266 176.347 0.919 18182 5229 1 9 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.092 1.176 18182 5230 1 9 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.606 0.822 18182 5231 1 9 . 1 1 17 17 ALA H H 675 9.097 9.097 8.822 0.275 18182 5232 1 9 . 1 1 18 18 GLY C C 676 174.230 174.230 173.370 0.860 18182 5233 1 9 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.636 2.294 18182 5234 1 9 . 1 1 19 19 ASN N N 677 124.910 124.910 120.292 4.618 18182 5235 1 9 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.713 0.181 18182 5236 1 9 . 1 1 19 19 ASN C C 677 174.597 174.597 174.925 -0.328 18182 5237 1 9 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.414 -0.472 18182 5238 1 9 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.674 -0.715 18182 5239 1 9 . 1 1 19 19 ASN H H 677 8.682 8.682 8.550 0.132 18182 5240 1 9 . 1 1 20 20 MET N N 678 122.347 122.347 121.927 0.420 18182 5241 1 9 . 1 1 20 20 MET HA H 678 4.115 4.115 4.657 -0.542 18182 5242 1 9 . 1 1 20 20 MET C C 678 175.451 175.451 175.623 -0.172 18182 5243 1 9 . 1 1 20 20 MET CA C 678 56.675 56.675 54.604 2.071 18182 5244 1 9 . 1 1 20 20 MET CB C 678 35.208 35.208 35.396 -0.188 18182 5245 1 9 . 1 1 20 20 MET H H 678 7.006 7.006 7.906 -0.900 18182 5246 1 9 . 1 1 21 21 GLU N N 679 124.989 124.989 120.059 4.930 18182 5247 1 9 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.454 -0.163 18182 5248 1 9 . 1 1 21 21 GLU C C 679 178.232 178.232 177.584 0.648 18182 5249 1 9 . 1 1 21 21 GLU CA C 679 56.127 56.127 56.046 0.081 18182 5250 1 9 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.710 0.222 18182 5251 1 9 . 1 1 21 21 GLU H H 679 8.761 8.761 8.506 0.255 18182 5252 1 9 . 1 1 22 22 ARG N N 680 125.521 125.521 123.648 1.873 18182 5253 1 9 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.947 -0.611 18182 5254 1 9 . 1 1 22 22 ARG C C 680 177.707 177.707 178.270 -0.563 18182 5255 1 9 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.002 1.042 18182 5256 1 9 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.066 -0.009 18182 5257 1 9 . 1 1 22 22 ARG H H 680 9.406 9.406 8.861 0.545 18182 5258 1 9 . 1 1 23 23 GLN N N 681 117.320 117.320 118.317 -0.997 18182 5259 1 9 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.079 -0.014 18182 5260 1 9 . 1 1 23 23 GLN C C 681 178.317 178.317 178.294 0.023 18182 5261 1 9 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.958 0.793 18182 5262 1 9 . 1 1 23 23 GLN CB C 681 27.784 27.784 28.166 -0.382 18182 5263 1 9 . 1 1 23 23 GLN H H 681 9.048 9.048 8.683 0.365 18182 5264 1 9 . 1 1 24 24 GLN N N 682 117.909 117.909 119.508 -1.599 18182 5265 1 9 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.131 -0.010 18182 5266 1 9 . 1 1 24 24 GLN C C 682 178.190 178.190 178.635 -0.445 18182 5267 1 9 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.004 -0.261 18182 5268 1 9 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.102 0.214 18182 5269 1 9 . 1 1 24 24 GLN H H 682 7.182 7.182 8.329 -1.147 18182 5270 1 9 . 1 1 25 25 THR N N 683 117.007 117.007 115.663 1.344 18182 5271 1 9 . 1 1 25 25 THR HA H 683 3.681 3.681 3.934 -0.253 18182 5272 1 9 . 1 1 25 25 THR C C 683 175.786 175.786 176.622 -0.836 18182 5273 1 9 . 1 1 25 25 THR CA C 683 67.702 67.702 67.625 0.077 18182 5274 1 9 . 1 1 25 25 THR CB C 683 68.000 68.000 68.123 -0.123 18182 5275 1 9 . 1 1 25 25 THR H H 683 7.903 7.903 7.792 0.111 18182 5276 1 9 . 1 1 26 26 ASP N N 684 122.824 122.824 121.428 1.396 18182 5277 1 9 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.421 -0.141 18182 5278 1 9 . 1 1 26 26 ASP C C 684 178.269 178.269 178.495 -0.226 18182 5279 1 9 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.688 0.448 18182 5280 1 9 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.910 -0.732 18182 5281 1 9 . 1 1 26 26 ASP H H 684 8.430 8.430 7.894 0.536 18182 5282 1 9 . 1 1 27 27 ASN N N 685 115.634 115.634 118.998 -3.364 18182 5283 1 9 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.504 -0.145 18182 5284 1 9 . 1 1 27 27 ASN C C 685 177.065 177.065 178.294 -1.229 18182 5285 1 9 . 1 1 27 27 ASN CA C 685 55.911 55.911 56.059 -0.147 18182 5286 1 9 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.648 -0.141 18182 5287 1 9 . 1 1 27 27 ASN H H 685 7.647 7.647 8.346 -0.699 18182 5288 1 9 . 1 1 28 28 LEU N N 686 120.594 120.594 121.919 -1.325 18182 5289 1 9 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.175 0.054 18182 5290 1 9 . 1 1 28 28 LEU C C 686 179.502 179.502 178.824 0.678 18182 5291 1 9 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.029 -0.049 18182 5292 1 9 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.429 0.674 18182 5293 1 9 . 1 1 28 28 LEU H H 686 8.093 8.093 8.580 -0.487 18182 5294 1 9 . 1 1 29 29 LEU N N 687 115.149 115.149 117.884 -2.735 18182 5295 1 9 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.116 -0.034 18182 5296 1 9 . 1 1 29 29 LEU C C 687 178.910 178.910 179.145 -0.235 18182 5297 1 9 . 1 1 29 29 LEU CA C 687 56.917 56.917 57.302 -0.385 18182 5298 1 9 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.564 1.334 18182 5299 1 9 . 1 1 29 29 LEU H H 687 8.386 8.386 8.141 0.245 18182 5300 1 9 . 1 1 30 30 LYS N N 688 118.086 118.086 118.646 -0.560 18182 5301 1 9 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.029 -0.291 18182 5302 1 9 . 1 1 30 30 LYS C C 688 177.312 177.312 179.042 -1.730 18182 5303 1 9 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.356 1.153 18182 5304 1 9 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.369 -0.279 18182 5305 1 9 . 1 1 30 30 LYS H H 688 7.752 7.752 7.894 -0.142 18182 5306 1 9 . 1 1 31 31 SER N N 689 111.134 111.134 114.350 -3.216 18182 5307 1 9 . 1 1 31 31 SER HA H 689 4.460 4.460 4.252 0.208 18182 5308 1 9 . 1 1 31 31 SER C C 689 174.501 174.501 175.205 -0.704 18182 5309 1 9 . 1 1 31 31 SER CA C 689 58.559 58.559 60.269 -1.710 18182 5310 1 9 . 1 1 31 31 SER CB C 689 63.528 63.528 63.270 0.258 18182 5311 1 9 . 1 1 31 31 SER H H 689 7.629 7.629 7.897 -0.268 18182 5312 1 9 . 1 1 32 32 HIS N N 690 120.218 120.218 121.254 -1.036 18182 5313 1 9 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.491 0.165 18182 5314 1 9 . 1 1 32 32 HIS C C 690 173.855 173.855 174.224 -0.369 18182 5315 1 9 . 1 1 32 32 HIS CA C 690 56.219 56.219 57.249 -1.030 18182 5316 1 9 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.750 1.174 18182 5317 1 9 . 1 1 32 32 HIS H H 690 7.701 7.701 7.439 0.262 18182 5318 1 9 . 1 1 33 33 ALA N N 691 120.317 120.317 121.339 -1.022 18182 5319 1 9 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.594 -0.263 18182 5320 1 9 . 1 1 33 33 ALA C C 691 179.494 179.494 176.579 2.915 18182 5321 1 9 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.376 0.474 18182 5322 1 9 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.550 -0.505 18182 5323 1 9 . 1 1 33 33 ALA H H 691 8.453 8.453 8.583 -0.130 18182 5324 1 9 . 1 1 34 34 SER N N 692 117.274 117.274 114.491 2.783 18182 5325 1 9 . 1 1 34 34 SER HA H 692 4.089 4.089 4.494 -0.405 18182 5326 1 9 . 1 1 34 34 SER C C 692 175.336 175.336 175.072 0.264 18182 5327 1 9 . 1 1 34 34 SER CA C 692 60.531 60.531 60.262 0.269 18182 5328 1 9 . 1 1 34 34 SER CB C 692 63.308 63.308 63.323 -0.015 18182 5329 1 9 . 1 1 34 34 SER H H 692 8.997 8.997 8.460 0.537 18182 5330 1 9 . 1 1 35 35 GLY N N 693 113.573 113.573 113.206 0.367 18182 5331 1 9 . 1 1 35 35 GLY C C 693 174.808 174.808 174.813 -0.005 18182 5332 1 9 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.119 -0.260 18182 5333 1 9 . 1 1 35 35 GLY H H 693 9.926 9.926 9.422 0.504 18182 5334 1 9 . 1 1 36 36 THR N N 694 121.076 121.076 121.231 -0.155 18182 5335 1 9 . 1 1 36 36 THR HA H 694 5.962 5.962 5.094 0.868 18182 5336 1 9 . 1 1 36 36 THR C C 694 173.297 173.297 174.000 -0.703 18182 5337 1 9 . 1 1 36 36 THR CA C 694 63.612 63.612 63.952 -0.340 18182 5338 1 9 . 1 1 36 36 THR CB C 694 68.317 68.317 68.514 -0.197 18182 5339 1 9 . 1 1 36 36 THR H H 694 8.291 8.291 7.514 0.777 18182 5340 1 9 . 1 1 37 37 TYR N N 695 123.616 123.616 123.567 0.049 18182 5341 1 9 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.750 0.291 18182 5342 1 9 . 1 1 37 37 TYR C C 695 171.831 171.831 173.162 -1.331 18182 5343 1 9 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.996 0.309 18182 5344 1 9 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.944 2.415 18182 5345 1 9 . 1 1 37 37 TYR H H 695 8.805 8.805 8.949 -0.144 18182 5346 1 9 . 1 1 38 38 LEU N N 696 115.449 115.449 115.395 0.054 18182 5347 1 9 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.197 -0.038 18182 5348 1 9 . 1 1 38 38 LEU C C 696 174.331 174.331 174.458 -0.127 18182 5349 1 9 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.904 -1.047 18182 5350 1 9 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.133 0.761 18182 5351 1 9 . 1 1 38 38 LEU H H 696 9.105 9.105 9.001 0.104 18182 5352 1 9 . 1 1 39 39 ILE N N 697 121.911 121.911 119.282 2.629 18182 5353 1 9 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.845 0.574 18182 5354 1 9 . 1 1 39 39 ILE C C 697 173.476 173.476 174.963 -1.487 18182 5355 1 9 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.111 -0.186 18182 5356 1 9 . 1 1 39 39 ILE CB C 697 38.929 38.929 41.140 -2.211 18182 5357 1 9 . 1 1 39 39 ILE H H 697 9.313 9.313 7.999 1.314 18182 5358 1 9 . 1 1 40 40 ARG N N 698 122.878 122.878 123.705 -0.827 18182 5359 1 9 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.845 0.447 18182 5360 1 9 . 1 1 40 40 ARG C C 698 174.308 174.308 174.433 -0.125 18182 5361 1 9 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.739 -1.995 18182 5362 1 9 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.702 -0.185 18182 5363 1 9 . 1 1 40 40 ARG H H 698 9.185 9.185 9.061 0.124 18182 5364 1 9 . 1 1 41 41 GLU N N 699 122.405 122.405 120.133 2.272 18182 5365 1 9 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.353 0.544 18182 5366 1 9 . 1 1 41 41 GLU C C 699 176.242 176.242 175.266 0.976 18182 5367 1 9 . 1 1 41 41 GLU CA C 699 55.526 55.526 56.035 -0.509 18182 5368 1 9 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.037 0.096 18182 5369 1 9 . 1 1 41 41 GLU H H 699 8.634 8.634 8.033 0.601 18182 5370 1 9 . 1 1 42 42 ARG N N 700 125.045 125.045 125.876 -0.831 18182 5371 1 9 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.624 0.070 18182 5372 1 9 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.474 0.099 18182 5373 1 9 . 1 1 42 42 ARG H H 700 8.639 8.639 7.677 0.962 18182 5374 1 9 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.216 0.198 18182 5375 1 9 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.436 -0.025 18182 5376 1 9 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.445 -0.947 18182 5377 1 9 . 1 1 44 44 ALA N N 702 122.925 122.925 128.406 -5.481 18182 5378 1 9 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.357 -0.035 18182 5379 1 9 . 1 1 44 44 ALA C C 702 176.610 176.610 177.072 -0.462 18182 5380 1 9 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.631 0.171 18182 5381 1 9 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.864 -0.473 18182 5382 1 9 . 1 1 44 44 ALA H H 702 7.888 7.888 7.628 0.260 18182 5383 1 9 . 1 1 45 45 GLU N N 703 118.799 118.799 119.819 -1.020 18182 5384 1 9 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.201 0.036 18182 5385 1 9 . 1 1 45 45 GLU C C 703 176.717 176.717 177.760 -1.043 18182 5386 1 9 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.158 -1.257 18182 5387 1 9 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.715 0.371 18182 5388 1 9 . 1 1 45 45 GLU H H 703 7.947 7.947 8.852 -0.905 18182 5389 1 9 . 1 1 46 46 ALA N N 704 120.631 120.631 122.949 -2.318 18182 5390 1 9 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.243 0.172 18182 5391 1 9 . 1 1 46 46 ALA C C 704 178.411 178.411 177.786 0.625 18182 5392 1 9 . 1 1 46 46 ALA CA C 704 54.208 54.208 54.095 0.113 18182 5393 1 9 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.122 0.121 18182 5394 1 9 . 1 1 46 46 ALA H H 704 8.643 8.643 7.961 0.682 18182 5395 1 9 . 1 1 47 47 GLU N N 705 119.341 119.341 115.843 3.498 18182 5396 1 9 . 1 1 47 47 GLU HA H 705 4.856 4.856 5.054 -0.198 18182 5397 1 9 . 1 1 47 47 GLU C C 705 176.013 176.013 175.282 0.731 18182 5398 1 9 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.494 -0.636 18182 5399 1 9 . 1 1 47 47 GLU CB C 705 26.834 26.834 31.252 -4.418 18182 5400 1 9 . 1 1 47 47 GLU H H 705 7.635 7.635 7.998 -0.363 18182 5401 1 9 . 1 1 48 48 ARG N N 706 120.355 120.355 121.654 -1.299 18182 5402 1 9 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.354 -0.389 18182 5403 1 9 . 1 1 48 48 ARG C C 706 175.117 175.117 175.389 -0.272 18182 5404 1 9 . 1 1 48 48 ARG CA C 706 58.155 58.155 57.473 0.682 18182 5405 1 9 . 1 1 48 48 ARG CB C 706 31.691 31.691 32.898 -1.207 18182 5406 1 9 . 1 1 48 48 ARG H H 706 7.971 7.971 7.948 0.023 18182 5407 1 9 . 1 1 49 49 PHE N N 707 112.251 112.251 114.781 -2.530 18182 5408 1 9 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.810 1.095 18182 5409 1 9 . 1 1 49 49 PHE C C 707 173.875 173.875 173.499 0.376 18182 5410 1 9 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.706 -1.897 18182 5411 1 9 . 1 1 49 49 PHE CB C 707 43.075 43.075 44.021 -0.946 18182 5412 1 9 . 1 1 49 49 PHE H H 707 7.857 7.857 7.437 0.420 18182 5413 1 9 . 1 1 50 50 ALA N N 708 118.730 118.730 121.628 -2.898 18182 5414 1 9 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.115 0.339 18182 5415 1 9 . 1 1 50 50 ALA C C 708 176.479 176.479 175.348 1.131 18182 5416 1 9 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.256 -0.414 18182 5417 1 9 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.584 0.134 18182 5418 1 9 . 1 1 50 50 ALA H H 708 9.205 9.205 8.720 0.485 18182 5419 1 9 . 1 1 51 51 ILE N N 709 120.037 120.037 123.903 -3.866 18182 5420 1 9 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.742 0.004 18182 5421 1 9 . 1 1 51 51 ILE C C 709 175.120 175.120 175.569 -0.449 18182 5422 1 9 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.622 0.101 18182 5423 1 9 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.252 0.048 18182 5424 1 9 . 1 1 51 51 ILE H H 709 9.262 9.262 8.868 0.394 18182 5425 1 9 . 1 1 52 52 SER N N 710 125.087 125.087 117.839 7.248 18182 5426 1 9 . 1 1 52 52 SER HA H 710 5.468 5.468 5.148 0.320 18182 5427 1 9 . 1 1 52 52 SER C C 710 172.060 172.060 172.355 -0.295 18182 5428 1 9 . 1 1 52 52 SER CA C 710 57.761 57.761 57.343 0.418 18182 5429 1 9 . 1 1 52 52 SER CB C 710 65.210 65.210 65.622 -0.412 18182 5430 1 9 . 1 1 52 52 SER H H 710 9.205 9.205 8.903 0.302 18182 5431 1 9 . 1 1 53 53 ILE N N 711 121.753 121.753 124.776 -3.023 18182 5432 1 9 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.225 -0.030 18182 5433 1 9 . 1 1 53 53 ILE C C 711 173.070 173.070 172.977 0.093 18182 5434 1 9 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.438 -1.683 18182 5435 1 9 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.991 0.366 18182 5436 1 9 . 1 1 53 53 ILE H H 711 8.989 8.989 8.635 0.354 18182 5437 1 9 . 1 1 54 54 LYS N N 712 128.758 128.758 128.077 0.681 18182 5438 1 9 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.050 -0.263 18182 5439 1 9 . 1 1 54 54 LYS C C 712 174.899 174.899 174.621 0.278 18182 5440 1 9 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.555 -0.188 18182 5441 1 9 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.649 -0.291 18182 5442 1 9 . 1 1 54 54 LYS H H 712 8.894 8.894 8.913 -0.019 18182 5443 1 9 . 1 1 55 55 PHE N N 713 130.369 130.369 126.605 3.764 18182 5444 1 9 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.847 0.100 18182 5445 1 9 . 1 1 55 55 PHE C C 713 174.238 174.238 173.708 0.530 18182 5446 1 9 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.468 0.697 18182 5447 1 9 . 1 1 55 55 PHE CB C 713 41.804 41.804 43.460 -1.656 18182 5448 1 9 . 1 1 55 55 PHE H H 713 9.464 9.464 8.785 0.679 18182 5449 1 9 . 1 1 56 56 ASN N N 714 125.719 125.719 119.920 5.799 18182 5450 1 9 . 1 1 56 56 ASN HA H 714 3.941 3.941 3.937 0.004 18182 5451 1 9 . 1 1 56 56 ASN C C 714 174.003 174.003 174.179 -0.176 18182 5452 1 9 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.682 1.548 18182 5453 1 9 . 1 1 56 56 ASN CB C 714 36.140 36.140 36.257 -0.117 18182 5454 1 9 . 1 1 56 56 ASN H H 714 8.411 8.411 8.035 0.376 18182 5455 1 9 . 1 1 57 57 ASP N N 715 117.904 117.904 113.283 4.621 18182 5456 1 9 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.186 0.435 18182 5457 1 9 . 1 1 57 57 ASP C C 715 174.858 174.858 174.415 0.443 18182 5458 1 9 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.062 -0.880 18182 5459 1 9 . 1 1 57 57 ASP CB C 715 40.886 40.886 39.958 0.928 18182 5460 1 9 . 1 1 57 57 ASP H H 715 8.542 8.542 8.160 0.382 18182 5461 1 9 . 1 1 58 58 GLU N N 716 118.707 118.707 115.981 2.726 18182 5462 1 9 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.603 0.107 18182 5463 1 9 . 1 1 58 58 GLU C C 716 173.755 173.755 174.761 -1.006 18182 5464 1 9 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.584 -0.537 18182 5465 1 9 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.595 0.691 18182 5466 1 9 . 1 1 58 58 GLU H H 716 7.889 7.889 7.902 -0.014 18182 5467 1 9 . 1 1 59 59 VAL N N 717 120.720 120.720 125.829 -5.109 18182 5468 1 9 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.074 0.356 18182 5469 1 9 . 1 1 59 59 VAL C C 717 175.071 175.071 176.191 -1.120 18182 5470 1 9 . 1 1 59 59 VAL CA C 717 62.139 62.139 63.268 -1.129 18182 5471 1 9 . 1 1 59 59 VAL CB C 717 32.071 32.071 32.208 -0.137 18182 5472 1 9 . 1 1 59 59 VAL H H 717 8.536 8.536 8.609 -0.073 18182 5473 1 9 . 1 1 60 60 LYS N N 718 126.403 126.403 126.945 -0.542 18182 5474 1 9 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.756 -0.201 18182 5475 1 9 . 1 1 60 60 LYS C C 718 174.578 174.578 174.403 0.175 18182 5476 1 9 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.317 -1.200 18182 5477 1 9 . 1 1 60 60 LYS CB C 718 34.906 34.906 36.548 -1.642 18182 5478 1 9 . 1 1 60 60 LYS H H 718 8.879 8.879 8.674 0.205 18182 5479 1 9 . 1 1 61 61 HIS N N 719 118.939 118.939 118.290 0.649 18182 5480 1 9 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.290 0.220 18182 5481 1 9 . 1 1 61 61 HIS C C 719 174.482 174.482 174.673 -0.191 18182 5482 1 9 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.141 0.277 18182 5483 1 9 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.157 2.092 18182 5484 1 9 . 1 1 61 61 HIS H H 719 8.846 8.846 8.364 0.482 18182 5485 1 9 . 1 1 62 62 ILE N N 720 124.690 124.690 123.309 1.381 18182 5486 1 9 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.368 0.140 18182 5487 1 9 . 1 1 62 62 ILE C C 720 176.221 176.221 174.982 1.239 18182 5488 1 9 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.315 -0.032 18182 5489 1 9 . 1 1 62 62 ILE CB C 720 43.022 43.022 40.024 2.998 18182 5490 1 9 . 1 1 62 62 ILE H H 720 9.704 9.704 9.193 0.511 18182 5491 1 9 . 1 1 63 63 LYS N N 721 126.432 126.432 127.550 -1.118 18182 5492 1 9 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.310 -0.175 18182 5493 1 9 . 1 1 63 63 LYS C C 721 174.783 174.783 175.815 -1.032 18182 5494 1 9 . 1 1 63 63 LYS CA C 721 58.478 58.478 57.083 1.395 18182 5495 1 9 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.052 0.801 18182 5496 1 9 . 1 1 63 63 LYS H H 721 9.100 9.100 8.760 0.340 18182 5497 1 9 . 1 1 64 64 VAL N N 722 123.306 123.306 123.116 0.190 18182 5498 1 9 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.210 0.048 18182 5499 1 9 . 1 1 64 64 VAL C C 722 174.284 174.284 174.377 -0.093 18182 5500 1 9 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.616 -0.323 18182 5501 1 9 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.215 -0.669 18182 5502 1 9 . 1 1 64 64 VAL H H 722 8.441 8.441 8.007 0.434 18182 5503 1 9 . 1 1 65 65 VAL N N 723 126.508 126.508 126.809 -0.301 18182 5504 1 9 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.618 -0.336 18182 5505 1 9 . 1 1 65 65 VAL C C 723 174.127 174.127 174.614 -0.487 18182 5506 1 9 . 1 1 65 65 VAL CA C 723 61.600 61.600 59.705 1.895 18182 5507 1 9 . 1 1 65 65 VAL CB C 723 33.717 33.717 32.407 1.310 18182 5508 1 9 . 1 1 65 65 VAL H H 723 8.462 8.462 8.466 -0.004 18182 5509 1 9 . 1 1 66 66 GLU N N 724 126.016 126.016 128.707 -2.691 18182 5510 1 9 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.965 0.261 18182 5511 1 9 . 1 1 66 66 GLU C C 724 175.409 175.409 175.238 0.171 18182 5512 1 9 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.093 -0.342 18182 5513 1 9 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.431 1.026 18182 5514 1 9 . 1 1 66 66 GLU H H 724 8.619 8.619 8.712 -0.093 18182 5515 1 9 . 1 1 67 67 LYS N N 725 125.813 125.813 124.831 0.982 18182 5516 1 9 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.488 0.009 18182 5517 1 9 . 1 1 67 67 LYS C C 725 175.635 175.635 175.499 0.136 18182 5518 1 9 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.761 0.662 18182 5519 1 9 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.356 -0.058 18182 5520 1 9 . 1 1 67 67 LYS H H 725 8.740 8.740 8.270 0.470 18182 5521 1 9 . 1 1 68 68 ASP N N 726 126.958 126.958 122.867 4.091 18182 5522 1 9 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.293 -0.062 18182 5523 1 9 . 1 1 68 68 ASP C C 726 174.341 174.341 174.983 -0.642 18182 5524 1 9 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.627 0.626 18182 5525 1 9 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.750 -0.251 18182 5526 1 9 . 1 1 68 68 ASP H H 726 9.499 9.499 8.830 0.669 18182 5527 1 9 . 1 1 69 69 ASN N N 727 110.214 110.214 113.017 -2.803 18182 5528 1 9 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.098 0.167 18182 5529 1 9 . 1 1 69 69 ASN C C 727 173.779 173.779 173.090 0.689 18182 5530 1 9 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.279 0.410 18182 5531 1 9 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.408 0.080 18182 5532 1 9 . 1 1 69 69 ASN H H 727 8.348 8.348 8.468 -0.120 18182 5533 1 9 . 1 1 70 70 TRP N N 728 119.007 119.007 115.084 3.923 18182 5534 1 9 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.132 0.258 18182 5535 1 9 . 1 1 70 70 TRP C C 728 174.779 174.779 174.863 -0.084 18182 5536 1 9 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.437 1.389 18182 5537 1 9 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.423 1.131 18182 5538 1 9 . 1 1 70 70 TRP H H 728 8.063 8.063 7.464 0.599 18182 5539 1 9 . 1 1 71 71 ILE N N 729 122.016 122.016 120.967 1.049 18182 5540 1 9 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.511 1.089 18182 5541 1 9 . 1 1 71 71 ILE C C 729 175.184 175.184 174.049 1.135 18182 5542 1 9 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.581 -0.728 18182 5543 1 9 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.858 0.738 18182 5544 1 9 . 1 1 71 71 ILE H H 729 9.378 9.378 9.321 0.057 18182 5545 1 9 . 1 1 72 72 HIS N N 730 121.306 121.306 121.971 -0.665 18182 5546 1 9 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.217 0.001 18182 5547 1 9 . 1 1 72 72 HIS C C 730 173.714 173.714 174.171 -0.457 18182 5548 1 9 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.811 0.831 18182 5549 1 9 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.486 1.018 18182 5550 1 9 . 1 1 72 72 HIS H H 730 9.048 9.048 7.931 1.117 18182 5551 1 9 . 1 1 73 73 ILE N N 731 112.643 112.643 115.329 -2.686 18182 5552 1 9 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.566 0.371 18182 5553 1 9 . 1 1 73 73 ILE C C 731 175.442 175.442 175.839 -0.397 18182 5554 1 9 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.187 0.492 18182 5555 1 9 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.045 0.361 18182 5556 1 9 . 1 1 73 73 ILE H H 731 9.499 9.499 8.697 0.802 18182 5557 1 9 . 1 1 74 74 THR N N 732 115.752 115.752 110.410 5.342 18182 5558 1 9 . 1 1 74 74 THR HA H 732 4.812 4.812 4.566 0.246 18182 5559 1 9 . 1 1 74 74 THR C C 732 173.575 173.575 173.507 0.068 18182 5560 1 9 . 1 1 74 74 THR CA C 732 58.650 58.650 59.693 -1.043 18182 5561 1 9 . 1 1 74 74 THR CB C 732 70.177 70.177 72.088 -1.911 18182 5562 1 9 . 1 1 74 74 THR H H 732 8.364 8.364 7.597 0.767 18182 5563 1 9 . 1 1 75 75 GLU N N 733 124.910 124.910 118.835 6.075 18182 5564 1 9 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.340 -1.367 18182 5565 1 9 . 1 1 75 75 GLU C C 733 175.609 175.609 175.180 0.429 18182 5566 1 9 . 1 1 75 75 GLU CA C 733 58.662 58.662 55.990 2.672 18182 5567 1 9 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.777 0.186 18182 5568 1 9 . 1 1 75 75 GLU H H 733 8.754 8.754 8.686 0.068 18182 5569 1 9 . 1 1 76 76 ALA N N 734 117.847 117.847 122.299 -4.452 18182 5570 1 9 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.450 -0.510 18182 5571 1 9 . 1 1 76 76 ALA C C 734 177.033 177.033 177.440 -0.407 18182 5572 1 9 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.745 0.430 18182 5573 1 9 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.449 -0.956 18182 5574 1 9 . 1 1 76 76 ALA H H 734 7.538 7.538 7.805 -0.267 18182 5575 1 9 . 1 1 77 77 LYS N N 735 119.518 119.518 119.938 -0.420 18182 5576 1 9 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.359 -0.248 18182 5577 1 9 . 1 1 77 77 LYS C C 735 171.953 171.953 174.656 -2.703 18182 5578 1 9 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.037 -0.338 18182 5579 1 9 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.964 -0.679 18182 5580 1 9 . 1 1 77 77 LYS H H 735 7.326 7.326 8.160 -0.834 18182 5581 1 9 . 1 1 78 78 LYS N N 736 123.200 123.200 119.984 3.216 18182 5582 1 9 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.276 0.455 18182 5583 1 9 . 1 1 78 78 LYS C C 736 175.123 175.123 175.175 -0.052 18182 5584 1 9 . 1 1 78 78 LYS CA C 736 55.110 55.110 55.161 -0.051 18182 5585 1 9 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.569 0.401 18182 5586 1 9 . 1 1 78 78 LYS H H 736 7.893 7.893 7.897 -0.004 18182 5587 1 9 . 1 1 79 79 PHE N N 737 117.916 117.916 119.304 -1.388 18182 5588 1 9 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.637 0.357 18182 5589 1 9 . 1 1 79 79 PHE C C 737 175.595 175.595 176.108 -0.513 18182 5590 1 9 . 1 1 79 79 PHE CA C 737 56.941 56.941 55.950 0.991 18182 5591 1 9 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.472 0.941 18182 5592 1 9 . 1 1 79 79 PHE H H 737 9.121 9.121 8.827 0.294 18182 5593 1 9 . 1 1 80 80 ASP N N 738 119.341 119.341 118.512 0.829 18182 5594 1 9 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.091 -0.342 18182 5595 1 9 . 1 1 80 80 ASP C C 738 176.035 176.035 176.460 -0.425 18182 5596 1 9 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.209 0.503 18182 5597 1 9 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.831 -0.122 18182 5598 1 9 . 1 1 80 80 ASP H H 738 9.377 9.377 9.031 0.346 18182 5599 1 9 . 1 1 81 81 SER N N 739 108.518 108.518 110.999 -2.481 18182 5600 1 9 . 1 1 81 81 SER HA H 739 4.694 4.694 4.571 0.123 18182 5601 1 9 . 1 1 81 81 SER C C 739 173.791 173.791 173.951 -0.160 18182 5602 1 9 . 1 1 81 81 SER CA C 739 57.049 57.049 57.347 -0.298 18182 5603 1 9 . 1 1 81 81 SER CB C 739 66.839 66.839 64.588 2.251 18182 5604 1 9 . 1 1 81 81 SER H H 739 7.447 7.447 7.393 0.054 18182 5605 1 9 . 1 1 82 82 LEU N N 740 122.626 122.626 124.843 -2.217 18182 5606 1 9 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.167 -0.356 18182 5607 1 9 . 1 1 82 82 LEU C C 740 177.172 177.172 177.863 -0.691 18182 5608 1 9 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.170 -0.701 18182 5609 1 9 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.344 -1.525 18182 5610 1 9 . 1 1 82 82 LEU H H 740 8.969 8.969 8.729 0.240 18182 5611 1 9 . 1 1 83 83 LEU N N 741 116.575 116.575 119.065 -2.490 18182 5612 1 9 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.955 -0.118 18182 5613 1 9 . 1 1 83 83 LEU C C 741 177.492 177.492 178.522 -1.030 18182 5614 1 9 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.571 -0.306 18182 5615 1 9 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.737 0.192 18182 5616 1 9 . 1 1 83 83 LEU H H 741 7.770 7.770 7.980 -0.210 18182 5617 1 9 . 1 1 84 84 GLU N N 742 116.865 116.865 119.325 -2.460 18182 5618 1 9 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.985 -0.067 18182 5619 1 9 . 1 1 84 84 GLU C C 742 178.252 178.252 178.635 -0.383 18182 5620 1 9 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.596 -0.205 18182 5621 1 9 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.253 1.206 18182 5622 1 9 . 1 1 84 84 GLU H H 742 7.585 7.585 7.710 -0.125 18182 5623 1 9 . 1 1 85 85 LEU N N 743 122.164 122.164 120.217 1.947 18182 5624 1 9 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.777 -0.749 18182 5625 1 9 . 1 1 85 85 LEU C C 743 177.335 177.335 178.651 -1.316 18182 5626 1 9 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.521 1.250 18182 5627 1 9 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.745 0.082 18182 5628 1 9 . 1 1 85 85 LEU H H 743 7.109 7.109 7.193 -0.084 18182 5629 1 9 . 1 1 86 86 VAL N N 744 119.760 119.760 119.215 0.545 18182 5630 1 9 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.321 -0.468 18182 5631 1 9 . 1 1 86 86 VAL C C 744 177.675 177.675 178.045 -0.370 18182 5632 1 9 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.786 0.327 18182 5633 1 9 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.990 0.121 18182 5634 1 9 . 1 1 86 86 VAL H H 744 8.113 8.113 8.343 -0.230 18182 5635 1 9 . 1 1 87 87 GLU N N 745 116.227 116.227 119.142 -2.915 18182 5636 1 9 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.784 -0.021 18182 5637 1 9 . 1 1 87 87 GLU C C 745 179.530 179.530 179.185 0.345 18182 5638 1 9 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.822 -0.384 18182 5639 1 9 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.692 -0.540 18182 5640 1 9 . 1 1 87 87 GLU H H 745 8.182 8.182 8.174 0.008 18182 5641 1 9 . 1 1 88 88 TYR N N 746 120.102 120.102 119.302 0.800 18182 5642 1 9 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.029 0.118 18182 5643 1 9 . 1 1 88 88 TYR C C 746 179.970 179.970 178.370 1.600 18182 5644 1 9 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.694 1.036 18182 5645 1 9 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.411 0.477 18182 5646 1 9 . 1 1 88 88 TYR H H 746 7.795 7.795 8.477 -0.682 18182 5647 1 9 . 1 1 89 89 TYR N N 747 118.508 118.508 117.390 1.118 18182 5648 1 9 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.414 0.687 18182 5649 1 9 . 1 1 89 89 TYR C C 747 175.885 175.885 178.226 -2.341 18182 5650 1 9 . 1 1 89 89 TYR CA C 747 61.177 61.177 60.630 0.547 18182 5651 1 9 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.939 -0.896 18182 5652 1 9 . 1 1 89 89 TYR H H 747 7.798 7.798 8.437 -0.639 18182 5653 1 9 . 1 1 90 90 GLN N N 748 118.741 118.741 118.490 0.251 18182 5654 1 9 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.873 0.547 18182 5655 1 9 . 1 1 90 90 GLN C C 748 177.767 177.767 176.503 1.264 18182 5656 1 9 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.611 -0.740 18182 5657 1 9 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.485 0.188 18182 5658 1 9 . 1 1 90 90 GLN H H 748 7.925 7.925 8.054 -0.129 18182 5659 1 9 . 1 1 91 91 CYS N N 749 111.312 111.312 113.852 -2.540 18182 5660 1 9 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.218 0.423 18182 5661 1 9 . 1 1 91 91 CYS C C 749 173.010 173.010 174.850 -1.840 18182 5662 1 9 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.753 -1.218 18182 5663 1 9 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.656 -0.477 18182 5664 1 9 . 1 1 91 91 CYS H H 749 7.178 7.178 7.439 -0.261 18182 5665 1 9 . 1 1 92 92 HIS N N 750 120.386 120.386 119.252 1.134 18182 5666 1 9 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.487 -0.119 18182 5667 1 9 . 1 1 92 92 HIS C C 750 171.815 171.815 174.297 -2.482 18182 5668 1 9 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.999 0.169 18182 5669 1 9 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.349 -1.043 18182 5670 1 9 . 1 1 92 92 HIS H H 750 7.540 7.540 7.435 0.105 18182 5671 1 9 . 1 1 93 93 SER N N 751 113.259 113.259 116.725 -3.466 18182 5672 1 9 . 1 1 93 93 SER HA H 751 3.812 3.812 4.216 -0.404 18182 5673 1 9 . 1 1 93 93 SER C C 751 176.644 176.644 175.738 0.906 18182 5674 1 9 . 1 1 93 93 SER CA C 751 58.040 58.040 58.775 -0.735 18182 5675 1 9 . 1 1 93 93 SER CB C 751 62.954 62.954 64.059 -1.105 18182 5676 1 9 . 1 1 93 93 SER H H 751 8.397 8.397 8.630 -0.233 18182 5677 1 9 . 1 1 94 94 LEU N N 752 127.166 127.166 125.584 1.582 18182 5678 1 9 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.326 -0.186 18182 5679 1 9 . 1 1 94 94 LEU C C 752 177.462 177.462 177.679 -0.217 18182 5680 1 9 . 1 1 94 94 LEU CA C 752 58.300 58.300 56.548 1.752 18182 5681 1 9 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.452 0.880 18182 5682 1 9 . 1 1 94 94 LEU H H 752 8.580 8.580 8.512 0.068 18182 5683 1 9 . 1 1 95 95 LYS N N 753 122.119 122.119 118.183 3.936 18182 5684 1 9 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.565 -0.125 18182 5685 1 9 . 1 1 95 95 LYS C C 753 176.253 176.253 178.558 -2.305 18182 5686 1 9 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.379 -1.150 18182 5687 1 9 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.981 0.363 18182 5688 1 9 . 1 1 95 95 LYS H H 753 8.322 8.322 7.680 0.642 18182 5689 1 9 . 1 1 96 96 GLU N N 754 115.310 115.310 119.646 -4.336 18182 5690 1 9 . 1 1 96 96 GLU HA H 754 4.137 4.137 3.992 0.145 18182 5691 1 9 . 1 1 96 96 GLU C C 754 176.704 176.704 178.261 -1.557 18182 5692 1 9 . 1 1 96 96 GLU CA C 754 58.489 58.489 59.038 -0.549 18182 5693 1 9 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.239 0.438 18182 5694 1 9 . 1 1 96 96 GLU H H 754 7.197 7.197 7.800 -0.603 18182 5695 1 9 . 1 1 97 97 SER N N 755 113.390 113.390 113.969 -0.579 18182 5696 1 9 . 1 1 97 97 SER HA H 755 4.583 4.583 4.374 0.209 18182 5697 1 9 . 1 1 97 97 SER C C 755 171.185 171.185 174.892 -3.707 18182 5698 1 9 . 1 1 97 97 SER CA C 755 59.569 59.569 59.943 -0.374 18182 5699 1 9 . 1 1 97 97 SER CB C 755 66.435 66.435 64.299 2.136 18182 5700 1 9 . 1 1 97 97 SER H H 755 7.857 7.857 7.664 0.193 18182 5701 1 9 . 1 1 98 98 PHE N N 756 121.328 121.328 120.807 0.521 18182 5702 1 9 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.740 0.025 18182 5703 1 9 . 1 1 98 98 PHE C C 756 175.774 175.774 175.679 0.095 18182 5704 1 9 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.761 0.110 18182 5705 1 9 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.563 1.148 18182 5706 1 9 . 1 1 98 98 PHE H H 756 8.409 8.409 8.247 0.162 18182 5707 1 9 . 1 1 99 99 LYS N N 757 121.656 121.656 125.115 -3.459 18182 5708 1 9 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.164 -0.051 18182 5709 1 9 . 1 1 99 99 LYS C C 757 177.188 177.188 177.610 -0.422 18182 5710 1 9 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.537 0.199 18182 5711 1 9 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.356 0.000 18182 5712 1 9 . 1 1 99 99 LYS H H 757 8.602 8.602 8.802 -0.200 18182 5713 1 9 . 1 1 100 100 GLN N N 758 115.783 115.783 116.633 -0.850 18182 5714 1 9 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.199 0.184 18182 5715 1 9 . 1 1 100 100 GLN C C 758 175.849 175.849 176.343 -0.494 18182 5716 1 9 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.393 -1.561 18182 5717 1 9 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.058 -0.741 18182 5718 1 9 . 1 1 100 100 GLN H H 758 9.139 9.139 8.482 0.657 18182 5719 1 9 . 1 1 101 101 LEU N N 759 124.876 124.876 120.050 4.826 18182 5720 1 9 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.565 -0.873 18182 5721 1 9 . 1 1 101 101 LEU C C 759 173.219 173.219 175.486 -2.267 18182 5722 1 9 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.998 -2.550 18182 5723 1 9 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.838 -1.850 18182 5724 1 9 . 1 1 101 101 LEU H H 759 7.924 7.924 7.723 0.201 18182 5725 1 9 . 1 1 102 102 ASP N N 760 119.263 119.263 117.867 1.396 18182 5726 1 9 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.785 -0.218 18182 5727 1 9 . 1 1 102 102 ASP C C 760 173.570 173.570 174.625 -1.055 18182 5728 1 9 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.695 -1.820 18182 5729 1 9 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.348 -3.319 18182 5730 1 9 . 1 1 102 102 ASP H H 760 6.564 6.564 8.264 -1.700 18182 5731 1 9 . 1 1 103 103 THR N N 761 117.311 117.311 111.770 5.541 18182 5732 1 9 . 1 1 103 103 THR HA H 761 4.701 4.701 4.269 0.432 18182 5733 1 9 . 1 1 103 103 THR C C 761 172.169 172.169 172.552 -0.383 18182 5734 1 9 . 1 1 103 103 THR CA C 761 60.491 60.491 60.416 0.075 18182 5735 1 9 . 1 1 103 103 THR CB C 761 69.358 69.358 69.804 -0.446 18182 5736 1 9 . 1 1 103 103 THR H H 761 7.699 7.699 7.370 0.329 18182 5737 1 9 . 1 1 104 104 THR N N 762 114.211 114.211 112.365 1.846 18182 5738 1 9 . 1 1 104 104 THR HA H 762 4.603 4.603 4.460 0.143 18182 5739 1 9 . 1 1 104 104 THR C C 762 175.647 175.647 173.256 2.391 18182 5740 1 9 . 1 1 104 104 THR CA C 762 60.899 60.899 60.163 0.736 18182 5741 1 9 . 1 1 104 104 THR CB C 762 70.981 70.981 71.690 -0.709 18182 5742 1 9 . 1 1 104 104 THR H H 762 7.300 7.300 7.954 -0.654 18182 5743 1 9 . 1 1 105 105 LEU N N 763 117.640 117.640 120.847 -3.207 18182 5744 1 9 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.579 -0.056 18182 5745 1 9 . 1 1 105 105 LEU C C 763 174.500 174.500 176.277 -1.777 18182 5746 1 9 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.105 -0.950 18182 5747 1 9 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.694 -3.947 18182 5748 1 9 . 1 1 105 105 LEU H H 763 8.113 8.113 8.575 -0.462 18182 5749 1 9 . 1 1 106 106 LYS N N 764 127.345 127.345 125.868 1.477 18182 5750 1 9 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.142 -0.131 18182 5751 1 9 . 1 1 106 106 LYS C C 764 176.781 176.781 176.454 0.327 18182 5752 1 9 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.558 3.330 18182 5753 1 9 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.590 0.633 18182 5754 1 9 . 1 1 106 106 LYS H H 764 7.181 7.181 8.019 -0.838 18182 5755 1 9 . 1 1 107 107 TYR N N 765 115.756 115.756 118.247 -2.491 18182 5756 1 9 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.982 0.539 18182 5757 1 9 . 1 1 107 107 TYR C C 765 172.106 172.106 172.668 -0.562 18182 5758 1 9 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.218 -2.597 18182 5759 1 9 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.909 1.609 18182 5760 1 9 . 1 1 107 107 TYR H H 765 7.877 7.877 7.711 0.166 18182 5761 1 9 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.216 -0.543 18182 5762 1 9 . 1 1 108 108 PRO C C 766 180.696 180.696 176.917 3.779 18182 5763 1 9 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.932 0.679 18182 5764 1 9 . 1 1 109 109 TYR N N 767 122.570 122.570 117.041 5.529 18182 5765 1 9 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.095 -0.278 18182 5766 1 9 . 1 1 109 109 TYR C C 767 174.769 174.769 176.608 -1.839 18182 5767 1 9 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.393 0.790 18182 5768 1 9 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.106 -0.639 18182 5769 1 9 . 1 1 109 109 TYR H H 767 8.341 8.341 8.371 -0.030 18182 5770 1 9 . 1 1 110 110 LYS N N 768 118.398 118.398 119.096 -0.698 18182 5771 1 9 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.172 -0.230 18182 5772 1 9 . 1 1 110 110 LYS C C 768 176.453 176.453 176.757 -0.304 18182 5773 1 9 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.045 -0.144 18182 5774 1 9 . 1 1 110 110 LYS CB C 768 32.581 32.581 31.556 1.025 18182 5775 1 9 . 1 1 110 110 LYS H H 768 6.790 6.790 7.213 -0.423 18182 5776 1 9 . 1 1 111 111 SER N N 769 114.260 114.260 116.592 -2.332 18182 5777 1 9 . 1 1 111 111 SER HA H 769 4.384 4.384 4.395 -0.011 18182 5778 1 9 . 1 1 111 111 SER C C 769 174.124 174.124 173.650 0.474 18182 5779 1 9 . 1 1 111 111 SER CA C 769 58.802 58.802 58.083 0.719 18182 5780 1 9 . 1 1 111 111 SER CB C 769 64.206 64.206 62.337 1.869 18182 5781 1 9 . 1 1 111 111 SER H H 769 7.769 7.769 7.758 0.011 18182 5782 1 9 . 1 1 112 112 ARG N N 770 122.485 122.485 125.437 -2.952 18182 5783 1 9 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.142 0.236 18182 5784 1 9 . 1 1 112 112 ARG C C 770 175.139 175.139 176.122 -0.983 18182 5785 1 9 . 1 1 112 112 ARG CA C 770 55.628 55.628 56.721 -1.093 18182 5786 1 9 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.353 0.582 18182 5787 1 9 . 1 1 112 112 ARG H H 770 8.109 8.109 7.989 0.120 18182 5788 1 10 . 1 1 2 2 ARG N N 660 123.565 123.565 123.133 0.432 18182 5789 1 10 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.475 0.155 18182 5790 1 10 . 1 1 2 2 ARG C C 660 173.529 173.529 174.668 -1.139 18182 5791 1 10 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.578 -2.709 18182 5792 1 10 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.985 0.443 18182 5793 1 10 . 1 1 2 2 ARG H H 660 8.295 8.295 8.388 -0.093 18182 5794 1 10 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.500 0.172 18182 5795 1 10 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.518 -0.106 18182 5796 1 10 . 1 1 4 4 PRO C C 662 177.096 177.096 176.598 0.498 18182 5797 1 10 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.019 0.277 18182 5798 1 10 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.516 -0.493 18182 5799 1 10 . 1 1 5 5 SER N N 663 116.025 116.025 115.923 0.102 18182 5800 1 10 . 1 1 5 5 SER HA H 663 4.374 4.374 4.297 0.077 18182 5801 1 10 . 1 1 5 5 SER C C 663 174.815 174.815 174.534 0.281 18182 5802 1 10 . 1 1 5 5 SER CA C 663 58.797 58.797 58.976 -0.179 18182 5803 1 10 . 1 1 5 5 SER CB C 663 64.024 64.024 63.337 0.687 18182 5804 1 10 . 1 1 5 5 SER H H 663 8.406 8.406 8.326 0.080 18182 5805 1 10 . 1 1 6 6 ARG N N 664 122.062 122.062 123.410 -1.348 18182 5806 1 10 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.389 -0.010 18182 5807 1 10 . 1 1 6 6 ARG C C 664 175.958 175.958 176.117 -0.159 18182 5808 1 10 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.995 0.141 18182 5809 1 10 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.089 -0.377 18182 5810 1 10 . 1 1 6 6 ARG H H 664 8.371 8.371 8.200 0.171 18182 5811 1 10 . 1 1 7 7 GLU N N 665 122.160 122.160 120.815 1.345 18182 5812 1 10 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.600 -0.287 18182 5813 1 10 . 1 1 7 7 GLU C C 665 175.842 175.842 175.315 0.527 18182 5814 1 10 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.672 0.738 18182 5815 1 10 . 1 1 7 7 GLU CB C 665 29.972 29.972 32.233 -2.261 18182 5816 1 10 . 1 1 7 7 GLU H H 665 8.352 8.352 8.085 0.267 18182 5817 1 10 . 1 1 8 8 ILE N N 666 123.828 123.828 122.644 1.184 18182 5818 1 10 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.193 -0.353 18182 5819 1 10 . 1 1 8 8 ILE C C 666 174.373 174.373 176.225 -1.852 18182 5820 1 10 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.561 -0.634 18182 5821 1 10 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.881 0.660 18182 5822 1 10 . 1 1 8 8 ILE H H 666 7.938 7.938 8.395 -0.457 18182 5823 1 10 . 1 1 9 9 ASP N N 667 124.338 124.338 128.108 -3.770 18182 5824 1 10 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.664 -0.045 18182 5825 1 10 . 1 1 9 9 ASP C C 667 177.006 177.006 176.656 0.350 18182 5826 1 10 . 1 1 9 9 ASP CA C 667 52.052 52.052 54.410 -2.358 18182 5827 1 10 . 1 1 9 9 ASP CB C 667 40.364 40.364 40.681 -0.317 18182 5828 1 10 . 1 1 9 9 ASP H H 667 8.111 8.111 8.655 -0.544 18182 5829 1 10 . 1 1 10 10 TYR N N 668 125.199 125.199 124.124 1.075 18182 5830 1 10 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.451 -0.263 18182 5831 1 10 . 1 1 10 10 TYR C C 668 175.947 175.947 177.233 -1.286 18182 5832 1 10 . 1 1 10 10 TYR CA C 668 60.683 60.683 58.836 1.847 18182 5833 1 10 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.833 -1.597 18182 5834 1 10 . 1 1 10 10 TYR H H 668 8.495 8.495 8.364 0.131 18182 5835 1 10 . 1 1 11 11 THR N N 669 108.617 108.617 111.137 -2.520 18182 5836 1 10 . 1 1 11 11 THR HA H 669 4.148 4.148 3.207 0.941 18182 5837 1 10 . 1 1 11 11 THR C C 669 175.184 175.184 175.092 0.092 18182 5838 1 10 . 1 1 11 11 THR CA C 669 65.022 65.022 64.936 0.086 18182 5839 1 10 . 1 1 11 11 THR CB C 669 69.280 69.280 68.312 0.967 18182 5840 1 10 . 1 1 11 11 THR H H 669 8.011 8.011 7.685 0.326 18182 5841 1 10 . 1 1 12 12 ALA N N 670 121.275 121.275 122.560 -1.285 18182 5842 1 10 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.006 0.070 18182 5843 1 10 . 1 1 12 12 ALA C C 670 177.815 177.815 177.801 0.014 18182 5844 1 10 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.211 -0.655 18182 5845 1 10 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.638 0.236 18182 5846 1 10 . 1 1 12 12 ALA H H 670 7.411 7.411 7.278 0.133 18182 5847 1 10 . 1 1 13 13 TYR N N 671 117.883 117.883 118.155 -0.272 18182 5848 1 10 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.238 0.063 18182 5849 1 10 . 1 1 13 13 TYR C C 671 176.698 176.698 174.446 2.252 18182 5850 1 10 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.267 0.719 18182 5851 1 10 . 1 1 13 13 TYR CB C 671 36.815 36.815 36.928 -0.113 18182 5852 1 10 . 1 1 13 13 TYR H H 671 7.538 7.538 7.330 0.208 18182 5853 1 10 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.111 0.245 18182 5854 1 10 . 1 1 14 14 PRO C C 672 173.452 173.452 176.184 -2.732 18182 5855 1 10 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.252 0.070 18182 5856 1 10 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.645 -0.422 18182 5857 1 10 . 1 1 15 15 TRP N N 673 110.044 110.044 112.298 -2.254 18182 5858 1 10 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.961 -0.169 18182 5859 1 10 . 1 1 15 15 TRP C C 673 175.577 175.577 174.375 1.202 18182 5860 1 10 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.599 -1.442 18182 5861 1 10 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.461 3.912 18182 5862 1 10 . 1 1 15 15 TRP H H 673 6.229 6.229 7.235 -1.006 18182 5863 1 10 . 1 1 16 16 PHE N N 674 123.205 123.205 123.611 -0.406 18182 5864 1 10 . 1 1 16 16 PHE HA H 674 5.171 5.171 5.416 -0.245 18182 5865 1 10 . 1 1 16 16 PHE C C 674 174.832 174.832 173.482 1.350 18182 5866 1 10 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.276 3.596 18182 5867 1 10 . 1 1 16 16 PHE CB C 674 40.208 40.208 42.074 -1.866 18182 5868 1 10 . 1 1 16 16 PHE H H 674 7.625 7.625 8.025 -0.400 18182 5869 1 10 . 1 1 17 17 ALA N N 675 130.669 130.669 129.304 1.365 18182 5870 1 10 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.962 -0.014 18182 5871 1 10 . 1 1 17 17 ALA C C 675 177.266 177.266 176.603 0.663 18182 5872 1 10 . 1 1 17 17 ALA CA C 675 51.268 51.268 49.760 1.508 18182 5873 1 10 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.165 0.263 18182 5874 1 10 . 1 1 17 17 ALA H H 675 9.097 9.097 8.737 0.360 18182 5875 1 10 . 1 1 18 18 GLY C C 676 174.230 174.230 173.783 0.447 18182 5876 1 10 . 1 1 18 18 GLY CA C 676 46.930 46.930 45.190 1.740 18182 5877 1 10 . 1 1 19 19 ASN N N 677 124.910 124.910 119.413 5.497 18182 5878 1 10 . 1 1 19 19 ASN HA H 677 4.894 4.894 5.065 -0.171 18182 5879 1 10 . 1 1 19 19 ASN C C 677 174.597 174.597 175.032 -0.435 18182 5880 1 10 . 1 1 19 19 ASN CA C 677 52.942 52.942 52.429 0.513 18182 5881 1 10 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.277 -1.318 18182 5882 1 10 . 1 1 19 19 ASN H H 677 8.682 8.682 8.630 0.052 18182 5883 1 10 . 1 1 20 20 MET N N 678 122.347 122.347 120.557 1.790 18182 5884 1 10 . 1 1 20 20 MET HA H 678 4.115 4.115 4.402 -0.287 18182 5885 1 10 . 1 1 20 20 MET C C 678 175.451 175.451 175.778 -0.327 18182 5886 1 10 . 1 1 20 20 MET CA C 678 56.675 56.675 56.138 0.537 18182 5887 1 10 . 1 1 20 20 MET CB C 678 35.208 35.208 33.843 1.365 18182 5888 1 10 . 1 1 20 20 MET H H 678 7.006 7.006 7.621 -0.615 18182 5889 1 10 . 1 1 21 21 GLU N N 679 124.989 124.989 120.751 4.238 18182 5890 1 10 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.527 -0.236 18182 5891 1 10 . 1 1 21 21 GLU C C 679 178.232 178.232 177.728 0.504 18182 5892 1 10 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.725 0.402 18182 5893 1 10 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.656 0.276 18182 5894 1 10 . 1 1 21 21 GLU H H 679 8.761 8.761 8.501 0.260 18182 5895 1 10 . 1 1 22 22 ARG N N 680 125.521 125.521 121.526 3.995 18182 5896 1 10 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.989 -0.653 18182 5897 1 10 . 1 1 22 22 ARG C C 680 177.707 177.707 177.978 -0.271 18182 5898 1 10 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.819 1.225 18182 5899 1 10 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.712 0.345 18182 5900 1 10 . 1 1 22 22 ARG H H 680 9.406 9.406 8.805 0.601 18182 5901 1 10 . 1 1 23 23 GLN N N 681 117.320 117.320 117.325 -0.005 18182 5902 1 10 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.026 0.039 18182 5903 1 10 . 1 1 23 23 GLN C C 681 178.317 178.317 178.138 0.179 18182 5904 1 10 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.730 1.021 18182 5905 1 10 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.639 0.145 18182 5906 1 10 . 1 1 23 23 GLN H H 681 9.048 9.048 8.698 0.350 18182 5907 1 10 . 1 1 24 24 GLN N N 682 117.909 117.909 120.312 -2.403 18182 5908 1 10 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.201 -0.080 18182 5909 1 10 . 1 1 24 24 GLN C C 682 178.190 178.190 178.402 -0.212 18182 5910 1 10 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.564 0.179 18182 5911 1 10 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.617 -0.302 18182 5912 1 10 . 1 1 24 24 GLN H H 682 7.182 7.182 7.610 -0.428 18182 5913 1 10 . 1 1 25 25 THR N N 683 117.007 117.007 117.376 -0.369 18182 5914 1 10 . 1 1 25 25 THR HA H 683 3.681 3.681 3.925 -0.244 18182 5915 1 10 . 1 1 25 25 THR C C 683 175.786 175.786 176.406 -0.620 18182 5916 1 10 . 1 1 25 25 THR CA C 683 67.702 67.702 68.306 -0.604 18182 5917 1 10 . 1 1 25 25 THR CB C 683 68.000 68.000 68.400 -0.400 18182 5918 1 10 . 1 1 25 25 THR H H 683 7.903 7.903 7.880 0.023 18182 5919 1 10 . 1 1 26 26 ASP N N 684 122.824 122.824 120.535 2.289 18182 5920 1 10 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.390 -0.110 18182 5921 1 10 . 1 1 26 26 ASP C C 684 178.269 178.269 178.188 0.081 18182 5922 1 10 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.584 0.552 18182 5923 1 10 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.994 -0.816 18182 5924 1 10 . 1 1 26 26 ASP H H 684 8.430 8.430 8.510 -0.080 18182 5925 1 10 . 1 1 27 27 ASN N N 685 115.634 115.634 118.449 -2.815 18182 5926 1 10 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.561 -0.202 18182 5927 1 10 . 1 1 27 27 ASN C C 685 177.065 177.065 178.087 -1.022 18182 5928 1 10 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.384 0.527 18182 5929 1 10 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.611 -0.105 18182 5930 1 10 . 1 1 27 27 ASN H H 685 7.647 7.647 7.712 -0.065 18182 5931 1 10 . 1 1 28 28 LEU N N 686 120.594 120.594 122.069 -1.475 18182 5932 1 10 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.123 0.106 18182 5933 1 10 . 1 1 28 28 LEU C C 686 179.502 179.502 178.603 0.899 18182 5934 1 10 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.283 -0.303 18182 5935 1 10 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.298 0.805 18182 5936 1 10 . 1 1 28 28 LEU H H 686 8.093 8.093 8.553 -0.460 18182 5937 1 10 . 1 1 29 29 LEU N N 687 115.149 115.149 117.377 -2.228 18182 5938 1 10 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.173 -0.091 18182 5939 1 10 . 1 1 29 29 LEU C C 687 178.910 178.910 178.986 -0.076 18182 5940 1 10 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.830 0.087 18182 5941 1 10 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.718 1.180 18182 5942 1 10 . 1 1 29 29 LEU H H 687 8.386 8.386 8.258 0.128 18182 5943 1 10 . 1 1 30 30 LYS N N 688 118.086 118.086 118.496 -0.410 18182 5944 1 10 . 1 1 30 30 LYS HA H 688 3.738 3.738 3.948 -0.210 18182 5945 1 10 . 1 1 30 30 LYS C C 688 177.312 177.312 179.120 -1.808 18182 5946 1 10 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.322 1.188 18182 5947 1 10 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.185 -0.095 18182 5948 1 10 . 1 1 30 30 LYS H H 688 7.752 7.752 7.457 0.295 18182 5949 1 10 . 1 1 31 31 SER N N 689 111.134 111.134 113.119 -1.985 18182 5950 1 10 . 1 1 31 31 SER HA H 689 4.460 4.460 4.225 0.235 18182 5951 1 10 . 1 1 31 31 SER C C 689 174.501 174.501 175.069 -0.568 18182 5952 1 10 . 1 1 31 31 SER CA C 689 58.559 58.559 60.335 -1.776 18182 5953 1 10 . 1 1 31 31 SER CB C 689 63.528 63.528 63.232 0.296 18182 5954 1 10 . 1 1 31 31 SER H H 689 7.629 7.629 7.915 -0.286 18182 5955 1 10 . 1 1 32 32 HIS N N 690 120.218 120.218 119.438 0.780 18182 5956 1 10 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.550 0.106 18182 5957 1 10 . 1 1 32 32 HIS C C 690 173.855 173.855 174.157 -0.302 18182 5958 1 10 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.842 -0.623 18182 5959 1 10 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.867 1.057 18182 5960 1 10 . 1 1 32 32 HIS H H 690 7.701 7.701 7.368 0.333 18182 5961 1 10 . 1 1 33 33 ALA N N 691 120.317 120.317 121.329 -1.012 18182 5962 1 10 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.604 -0.273 18182 5963 1 10 . 1 1 33 33 ALA C C 691 179.494 179.494 176.727 2.767 18182 5964 1 10 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.157 0.693 18182 5965 1 10 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.585 -0.541 18182 5966 1 10 . 1 1 33 33 ALA H H 691 8.453 8.453 8.605 -0.152 18182 5967 1 10 . 1 1 34 34 SER N N 692 117.274 117.274 115.441 1.833 18182 5968 1 10 . 1 1 34 34 SER HA H 692 4.089 4.089 4.493 -0.404 18182 5969 1 10 . 1 1 34 34 SER C C 692 175.336 175.336 175.752 -0.416 18182 5970 1 10 . 1 1 34 34 SER CA C 692 60.531 60.531 59.747 0.784 18182 5971 1 10 . 1 1 34 34 SER CB C 692 63.308 63.308 63.131 0.177 18182 5972 1 10 . 1 1 34 34 SER H H 692 8.997 8.997 8.377 0.620 18182 5973 1 10 . 1 1 35 35 GLY N N 693 113.573 113.573 115.889 -2.316 18182 5974 1 10 . 1 1 35 35 GLY C C 693 174.808 174.808 174.122 0.686 18182 5975 1 10 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.143 -0.284 18182 5976 1 10 . 1 1 35 35 GLY H H 693 9.926 9.926 9.274 0.652 18182 5977 1 10 . 1 1 36 36 THR N N 694 121.076 121.076 120.116 0.960 18182 5978 1 10 . 1 1 36 36 THR HA H 694 5.962 5.962 5.399 0.563 18182 5979 1 10 . 1 1 36 36 THR C C 694 173.297 173.297 173.940 -0.643 18182 5980 1 10 . 1 1 36 36 THR CA C 694 63.612 63.612 63.295 0.317 18182 5981 1 10 . 1 1 36 36 THR CB C 694 68.317 68.317 69.164 -0.847 18182 5982 1 10 . 1 1 36 36 THR H H 694 8.291 8.291 7.533 0.758 18182 5983 1 10 . 1 1 37 37 TYR N N 695 123.616 123.616 123.468 0.148 18182 5984 1 10 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.680 0.361 18182 5985 1 10 . 1 1 37 37 TYR C C 695 171.831 171.831 173.323 -1.492 18182 5986 1 10 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.941 0.365 18182 5987 1 10 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.765 2.594 18182 5988 1 10 . 1 1 37 37 TYR H H 695 8.805 8.805 8.849 -0.044 18182 5989 1 10 . 1 1 38 38 LEU N N 696 115.449 115.449 115.053 0.396 18182 5990 1 10 . 1 1 38 38 LEU HA H 696 5.159 5.159 4.939 0.220 18182 5991 1 10 . 1 1 38 38 LEU C C 696 174.331 174.331 174.410 -0.079 18182 5992 1 10 . 1 1 38 38 LEU CA C 696 53.857 53.857 55.100 -1.243 18182 5993 1 10 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.137 0.756 18182 5994 1 10 . 1 1 38 38 LEU H H 696 9.105 9.105 8.703 0.402 18182 5995 1 10 . 1 1 39 39 ILE N N 697 121.911 121.911 119.214 2.697 18182 5996 1 10 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.917 0.502 18182 5997 1 10 . 1 1 39 39 ILE C C 697 173.476 173.476 174.872 -1.396 18182 5998 1 10 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.144 -0.219 18182 5999 1 10 . 1 1 39 39 ILE CB C 697 38.929 38.929 41.536 -2.607 18182 6000 1 10 . 1 1 39 39 ILE H H 697 9.313 9.313 8.224 1.089 18182 6001 1 10 . 1 1 40 40 ARG N N 698 122.878 122.878 124.024 -1.146 18182 6002 1 10 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.971 0.321 18182 6003 1 10 . 1 1 40 40 ARG C C 698 174.308 174.308 174.921 -0.613 18182 6004 1 10 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.703 -1.959 18182 6005 1 10 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.827 -0.310 18182 6006 1 10 . 1 1 40 40 ARG H H 698 9.185 9.185 9.130 0.055 18182 6007 1 10 . 1 1 41 41 GLU N N 699 122.405 122.405 120.214 2.191 18182 6008 1 10 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.725 0.172 18182 6009 1 10 . 1 1 41 41 GLU C C 699 176.242 176.242 175.301 0.941 18182 6010 1 10 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.803 -0.277 18182 6011 1 10 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.398 -0.265 18182 6012 1 10 . 1 1 41 41 GLU H H 699 8.634 8.634 8.257 0.377 18182 6013 1 10 . 1 1 42 42 ARG N N 700 125.045 125.045 124.350 0.695 18182 6014 1 10 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.928 -0.234 18182 6015 1 10 . 1 1 42 42 ARG CB C 700 31.573 31.573 32.315 -0.742 18182 6016 1 10 . 1 1 42 42 ARG H H 700 8.639 8.639 8.674 -0.035 18182 6017 1 10 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.445 -0.031 18182 6018 1 10 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.196 0.215 18182 6019 1 10 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.304 -0.806 18182 6020 1 10 . 1 1 44 44 ALA N N 702 122.925 122.925 128.459 -5.534 18182 6021 1 10 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.355 -0.033 18182 6022 1 10 . 1 1 44 44 ALA C C 702 176.610 176.610 175.914 0.696 18182 6023 1 10 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.970 -0.168 18182 6024 1 10 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.487 -0.096 18182 6025 1 10 . 1 1 44 44 ALA H H 702 7.888 7.888 7.838 0.050 18182 6026 1 10 . 1 1 45 45 GLU N N 703 118.799 118.799 119.637 -0.838 18182 6027 1 10 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.269 -0.032 18182 6028 1 10 . 1 1 45 45 GLU C C 703 176.717 176.717 176.307 0.410 18182 6029 1 10 . 1 1 45 45 GLU CA C 703 56.901 56.901 56.809 0.092 18182 6030 1 10 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.678 0.408 18182 6031 1 10 . 1 1 45 45 GLU H H 703 7.947 7.947 8.598 -0.651 18182 6032 1 10 . 1 1 46 46 ALA N N 704 120.631 120.631 122.268 -1.637 18182 6033 1 10 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.468 -0.053 18182 6034 1 10 . 1 1 46 46 ALA C C 704 178.411 178.411 175.822 2.589 18182 6035 1 10 . 1 1 46 46 ALA CA C 704 54.208 54.208 52.818 1.390 18182 6036 1 10 . 1 1 46 46 ALA CB C 704 19.243 19.243 20.293 -1.050 18182 6037 1 10 . 1 1 46 46 ALA H H 704 8.643 8.643 7.940 0.703 18182 6038 1 10 . 1 1 47 47 GLU N N 705 119.341 119.341 119.264 0.077 18182 6039 1 10 . 1 1 47 47 GLU HA H 705 4.856 4.856 5.090 -0.234 18182 6040 1 10 . 1 1 47 47 GLU C C 705 176.013 176.013 176.163 -0.150 18182 6041 1 10 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.576 -0.718 18182 6042 1 10 . 1 1 47 47 GLU CB C 705 26.834 26.834 31.069 -4.235 18182 6043 1 10 . 1 1 47 47 GLU H H 705 7.635 7.635 8.285 -0.650 18182 6044 1 10 . 1 1 48 48 ARG N N 706 120.355 120.355 120.870 -0.515 18182 6045 1 10 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.341 -0.376 18182 6046 1 10 . 1 1 48 48 ARG C C 706 175.117 175.117 175.957 -0.840 18182 6047 1 10 . 1 1 48 48 ARG CA C 706 58.155 58.155 58.609 -0.454 18182 6048 1 10 . 1 1 48 48 ARG CB C 706 31.691 31.691 31.344 0.347 18182 6049 1 10 . 1 1 48 48 ARG H H 706 7.971 7.971 7.886 0.085 18182 6050 1 10 . 1 1 49 49 PHE N N 707 112.251 112.251 115.195 -2.944 18182 6051 1 10 . 1 1 49 49 PHE HA H 707 5.905 5.905 5.105 0.800 18182 6052 1 10 . 1 1 49 49 PHE C C 707 173.875 173.875 173.645 0.230 18182 6053 1 10 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.057 -1.248 18182 6054 1 10 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.748 -0.673 18182 6055 1 10 . 1 1 49 49 PHE H H 707 7.857 7.857 7.354 0.503 18182 6056 1 10 . 1 1 50 50 ALA N N 708 118.730 118.730 122.044 -3.314 18182 6057 1 10 . 1 1 50 50 ALA HA H 708 5.454 5.454 4.934 0.520 18182 6058 1 10 . 1 1 50 50 ALA C C 708 176.479 176.479 175.523 0.956 18182 6059 1 10 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.196 -0.354 18182 6060 1 10 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.521 0.197 18182 6061 1 10 . 1 1 50 50 ALA H H 708 9.205 9.205 8.947 0.258 18182 6062 1 10 . 1 1 51 51 ILE N N 709 120.037 120.037 124.585 -4.548 18182 6063 1 10 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.835 -0.089 18182 6064 1 10 . 1 1 51 51 ILE C C 709 175.120 175.120 175.585 -0.465 18182 6065 1 10 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.573 0.150 18182 6066 1 10 . 1 1 51 51 ILE CB C 709 40.300 40.300 39.748 0.552 18182 6067 1 10 . 1 1 51 51 ILE H H 709 9.262 9.262 8.863 0.399 18182 6068 1 10 . 1 1 52 52 SER N N 710 125.087 125.087 119.544 5.543 18182 6069 1 10 . 1 1 52 52 SER HA H 710 5.468 5.468 5.285 0.183 18182 6070 1 10 . 1 1 52 52 SER C C 710 172.060 172.060 172.566 -0.506 18182 6071 1 10 . 1 1 52 52 SER CA C 710 57.761 57.761 57.356 0.405 18182 6072 1 10 . 1 1 52 52 SER CB C 710 65.210 65.210 66.463 -1.253 18182 6073 1 10 . 1 1 52 52 SER H H 710 9.205 9.205 9.079 0.126 18182 6074 1 10 . 1 1 53 53 ILE N N 711 121.753 121.753 122.511 -0.758 18182 6075 1 10 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.093 0.102 18182 6076 1 10 . 1 1 53 53 ILE C C 711 173.070 173.070 173.093 -0.023 18182 6077 1 10 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.843 -2.088 18182 6078 1 10 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.068 0.289 18182 6079 1 10 . 1 1 53 53 ILE H H 711 8.989 8.989 8.515 0.474 18182 6080 1 10 . 1 1 54 54 LYS N N 712 128.758 128.758 128.102 0.656 18182 6081 1 10 . 1 1 54 54 LYS HA H 712 4.787 4.787 4.771 0.016 18182 6082 1 10 . 1 1 54 54 LYS C C 712 174.899 174.899 174.487 0.412 18182 6083 1 10 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.974 -0.607 18182 6084 1 10 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.532 -0.174 18182 6085 1 10 . 1 1 54 54 LYS H H 712 8.894 8.894 8.525 0.369 18182 6086 1 10 . 1 1 55 55 PHE N N 713 130.369 130.369 126.238 4.131 18182 6087 1 10 . 1 1 55 55 PHE HA H 713 4.947 4.947 5.293 -0.346 18182 6088 1 10 . 1 1 55 55 PHE C C 713 174.238 174.238 174.440 -0.202 18182 6089 1 10 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.446 0.719 18182 6090 1 10 . 1 1 55 55 PHE CB C 713 41.804 41.804 43.171 -1.367 18182 6091 1 10 . 1 1 55 55 PHE H H 713 9.464 9.464 8.460 1.004 18182 6092 1 10 . 1 1 56 56 ASN N N 714 125.719 125.719 122.787 2.932 18182 6093 1 10 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.021 -0.080 18182 6094 1 10 . 1 1 56 56 ASN C C 714 174.003 174.003 174.332 -0.329 18182 6095 1 10 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.955 1.275 18182 6096 1 10 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.293 -1.153 18182 6097 1 10 . 1 1 56 56 ASN H H 714 8.411 8.411 8.446 -0.035 18182 6098 1 10 . 1 1 57 57 ASP N N 715 117.904 117.904 114.375 3.529 18182 6099 1 10 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.212 0.409 18182 6100 1 10 . 1 1 57 57 ASP C C 715 174.858 174.858 174.885 -0.027 18182 6101 1 10 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.963 -0.781 18182 6102 1 10 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.419 0.467 18182 6103 1 10 . 1 1 57 57 ASP H H 715 8.542 8.542 8.374 0.168 18182 6104 1 10 . 1 1 58 58 GLU N N 716 118.707 118.707 115.747 2.960 18182 6105 1 10 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.554 0.156 18182 6106 1 10 . 1 1 58 58 GLU C C 716 173.755 173.755 174.261 -0.506 18182 6107 1 10 . 1 1 58 58 GLU CA C 716 55.047 55.047 54.963 0.084 18182 6108 1 10 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.710 0.576 18182 6109 1 10 . 1 1 58 58 GLU H H 716 7.889 7.889 7.537 0.352 18182 6110 1 10 . 1 1 59 59 VAL N N 717 120.720 120.720 125.007 -4.287 18182 6111 1 10 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.299 0.131 18182 6112 1 10 . 1 1 59 59 VAL C C 717 175.071 175.071 176.262 -1.191 18182 6113 1 10 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.969 -0.830 18182 6114 1 10 . 1 1 59 59 VAL CB C 717 32.071 32.071 32.154 -0.083 18182 6115 1 10 . 1 1 59 59 VAL H H 717 8.536 8.536 8.526 0.010 18182 6116 1 10 . 1 1 60 60 LYS N N 718 126.403 126.403 125.322 1.081 18182 6117 1 10 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.704 -0.149 18182 6118 1 10 . 1 1 60 60 LYS C C 718 174.578 174.578 174.397 0.181 18182 6119 1 10 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.849 -0.731 18182 6120 1 10 . 1 1 60 60 LYS CB C 718 34.906 34.906 36.312 -1.406 18182 6121 1 10 . 1 1 60 60 LYS H H 718 8.879 8.879 8.712 0.167 18182 6122 1 10 . 1 1 61 61 HIS N N 719 118.939 118.939 118.416 0.523 18182 6123 1 10 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.423 0.087 18182 6124 1 10 . 1 1 61 61 HIS C C 719 174.482 174.482 175.004 -0.522 18182 6125 1 10 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.097 0.321 18182 6126 1 10 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.187 2.062 18182 6127 1 10 . 1 1 61 61 HIS H H 719 8.846 8.846 8.392 0.454 18182 6128 1 10 . 1 1 62 62 ILE N N 720 124.690 124.690 123.690 1.000 18182 6129 1 10 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.460 0.048 18182 6130 1 10 . 1 1 62 62 ILE C C 720 176.221 176.221 174.947 1.274 18182 6131 1 10 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.215 0.068 18182 6132 1 10 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.655 3.367 18182 6133 1 10 . 1 1 62 62 ILE H H 720 9.704 9.704 9.199 0.505 18182 6134 1 10 . 1 1 63 63 LYS N N 721 126.432 126.432 128.061 -1.629 18182 6135 1 10 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.303 -0.168 18182 6136 1 10 . 1 1 63 63 LYS C C 721 174.783 174.783 175.192 -0.409 18182 6137 1 10 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.651 1.827 18182 6138 1 10 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.970 0.883 18182 6139 1 10 . 1 1 63 63 LYS H H 721 9.100 9.100 8.701 0.399 18182 6140 1 10 . 1 1 64 64 VAL N N 722 123.306 123.306 122.651 0.655 18182 6141 1 10 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.283 -0.025 18182 6142 1 10 . 1 1 64 64 VAL C C 722 174.284 174.284 174.823 -0.539 18182 6143 1 10 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.328 -0.035 18182 6144 1 10 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.248 0.298 18182 6145 1 10 . 1 1 64 64 VAL H H 722 8.441 8.441 7.909 0.532 18182 6146 1 10 . 1 1 65 65 VAL N N 723 126.508 126.508 127.957 -1.449 18182 6147 1 10 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.451 -0.169 18182 6148 1 10 . 1 1 65 65 VAL C C 723 174.127 174.127 174.898 -0.771 18182 6149 1 10 . 1 1 65 65 VAL CA C 723 61.600 61.600 61.223 0.377 18182 6150 1 10 . 1 1 65 65 VAL CB C 723 33.717 33.717 32.897 0.820 18182 6151 1 10 . 1 1 65 65 VAL H H 723 8.462 8.462 7.952 0.510 18182 6152 1 10 . 1 1 66 66 GLU N N 724 126.016 126.016 128.280 -2.264 18182 6153 1 10 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.159 0.067 18182 6154 1 10 . 1 1 66 66 GLU C C 724 175.409 175.409 175.182 0.227 18182 6155 1 10 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.865 -0.114 18182 6156 1 10 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.329 1.128 18182 6157 1 10 . 1 1 66 66 GLU H H 724 8.619 8.619 8.632 -0.013 18182 6158 1 10 . 1 1 67 67 LYS N N 725 125.813 125.813 124.857 0.956 18182 6159 1 10 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.622 -0.125 18182 6160 1 10 . 1 1 67 67 LYS C C 725 175.635 175.635 175.642 -0.007 18182 6161 1 10 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.822 0.602 18182 6162 1 10 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.343 -0.045 18182 6163 1 10 . 1 1 67 67 LYS H H 725 8.740 8.740 8.584 0.156 18182 6164 1 10 . 1 1 68 68 ASP N N 726 126.958 126.958 124.592 2.366 18182 6165 1 10 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.272 -0.041 18182 6166 1 10 . 1 1 68 68 ASP C C 726 174.341 174.341 174.964 -0.623 18182 6167 1 10 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.297 0.956 18182 6168 1 10 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.755 -0.256 18182 6169 1 10 . 1 1 68 68 ASP H H 726 9.499 9.499 8.933 0.566 18182 6170 1 10 . 1 1 69 69 ASN N N 727 110.214 110.214 111.992 -1.778 18182 6171 1 10 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.192 0.073 18182 6172 1 10 . 1 1 69 69 ASN C C 727 173.779 173.779 173.684 0.095 18182 6173 1 10 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.493 0.196 18182 6174 1 10 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.431 0.057 18182 6175 1 10 . 1 1 69 69 ASN H H 727 8.348 8.348 8.541 -0.193 18182 6176 1 10 . 1 1 70 70 TRP N N 728 119.007 119.007 114.719 4.288 18182 6177 1 10 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.094 0.296 18182 6178 1 10 . 1 1 70 70 TRP C C 728 174.779 174.779 175.043 -0.264 18182 6179 1 10 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.279 1.547 18182 6180 1 10 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.313 1.242 18182 6181 1 10 . 1 1 70 70 TRP H H 728 8.063 8.063 7.439 0.624 18182 6182 1 10 . 1 1 71 71 ILE N N 729 122.016 122.016 120.662 1.354 18182 6183 1 10 . 1 1 71 71 ILE HA H 729 5.600 5.600 5.236 0.364 18182 6184 1 10 . 1 1 71 71 ILE C C 729 175.184 175.184 174.171 1.013 18182 6185 1 10 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.230 -0.376 18182 6186 1 10 . 1 1 71 71 ILE CB C 729 41.596 41.596 41.317 0.279 18182 6187 1 10 . 1 1 71 71 ILE H H 729 9.378 9.378 9.302 0.076 18182 6188 1 10 . 1 1 72 72 HIS N N 730 121.306 121.306 121.421 -0.115 18182 6189 1 10 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.264 -0.046 18182 6190 1 10 . 1 1 72 72 HIS C C 730 173.714 173.714 173.993 -0.279 18182 6191 1 10 . 1 1 72 72 HIS CA C 730 56.642 56.642 56.054 0.588 18182 6192 1 10 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.831 0.674 18182 6193 1 10 . 1 1 72 72 HIS H H 730 9.048 9.048 8.305 0.743 18182 6194 1 10 . 1 1 73 73 ILE N N 731 112.643 112.643 115.862 -3.219 18182 6195 1 10 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.590 0.347 18182 6196 1 10 . 1 1 73 73 ILE C C 731 175.442 175.442 175.922 -0.480 18182 6197 1 10 . 1 1 73 73 ILE CA C 731 62.678 62.678 61.688 0.990 18182 6198 1 10 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.087 0.319 18182 6199 1 10 . 1 1 73 73 ILE H H 731 9.499 9.499 8.664 0.835 18182 6200 1 10 . 1 1 74 74 THR N N 732 115.752 115.752 111.009 4.743 18182 6201 1 10 . 1 1 74 74 THR HA H 732 4.812 4.812 4.602 0.210 18182 6202 1 10 . 1 1 74 74 THR C C 732 173.575 173.575 174.625 -1.050 18182 6203 1 10 . 1 1 74 74 THR CA C 732 58.650 58.650 59.852 -1.202 18182 6204 1 10 . 1 1 74 74 THR CB C 732 70.177 70.177 71.529 -1.352 18182 6205 1 10 . 1 1 74 74 THR H H 732 8.364 8.364 7.798 0.566 18182 6206 1 10 . 1 1 75 75 GLU N N 733 124.910 124.910 120.082 4.828 18182 6207 1 10 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.499 -1.526 18182 6208 1 10 . 1 1 75 75 GLU C C 733 175.609 175.609 175.260 0.349 18182 6209 1 10 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.471 2.191 18182 6210 1 10 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.870 0.093 18182 6211 1 10 . 1 1 75 75 GLU H H 733 8.754 8.754 8.999 -0.245 18182 6212 1 10 . 1 1 76 76 ALA N N 734 117.847 117.847 121.605 -3.758 18182 6213 1 10 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.390 -0.450 18182 6214 1 10 . 1 1 76 76 ALA C C 734 177.033 177.033 177.119 -0.086 18182 6215 1 10 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.743 0.431 18182 6216 1 10 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.343 -0.850 18182 6217 1 10 . 1 1 76 76 ALA H H 734 7.538 7.538 7.881 -0.343 18182 6218 1 10 . 1 1 77 77 LYS N N 735 119.518 119.518 121.753 -2.235 18182 6219 1 10 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.219 -0.108 18182 6220 1 10 . 1 1 77 77 LYS C C 735 171.953 171.953 175.080 -3.127 18182 6221 1 10 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.759 -1.060 18182 6222 1 10 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.401 -0.116 18182 6223 1 10 . 1 1 77 77 LYS H H 735 7.326 7.326 7.863 -0.537 18182 6224 1 10 . 1 1 78 78 LYS N N 736 123.200 123.200 121.279 1.921 18182 6225 1 10 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.335 0.396 18182 6226 1 10 . 1 1 78 78 LYS C C 736 175.123 175.123 175.182 -0.059 18182 6227 1 10 . 1 1 78 78 LYS CA C 736 55.110 55.110 55.226 -0.116 18182 6228 1 10 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.880 0.090 18182 6229 1 10 . 1 1 78 78 LYS H H 736 7.893 7.893 7.817 0.076 18182 6230 1 10 . 1 1 79 79 PHE N N 737 117.916 117.916 120.023 -2.107 18182 6231 1 10 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.630 0.364 18182 6232 1 10 . 1 1 79 79 PHE C C 737 175.595 175.595 175.622 -0.027 18182 6233 1 10 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.935 0.006 18182 6234 1 10 . 1 1 79 79 PHE CB C 737 43.413 43.413 43.074 0.339 18182 6235 1 10 . 1 1 79 79 PHE H H 737 9.121 9.121 8.988 0.133 18182 6236 1 10 . 1 1 80 80 ASP N N 738 119.341 119.341 120.500 -1.159 18182 6237 1 10 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.062 -0.313 18182 6238 1 10 . 1 1 80 80 ASP C C 738 176.035 176.035 176.476 -0.441 18182 6239 1 10 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.840 -0.128 18182 6240 1 10 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.860 -0.151 18182 6241 1 10 . 1 1 80 80 ASP H H 738 9.377 9.377 9.092 0.285 18182 6242 1 10 . 1 1 81 81 SER N N 739 108.518 108.518 110.345 -1.827 18182 6243 1 10 . 1 1 81 81 SER HA H 739 4.694 4.694 4.644 0.050 18182 6244 1 10 . 1 1 81 81 SER C C 739 173.791 173.791 174.128 -0.337 18182 6245 1 10 . 1 1 81 81 SER CA C 739 57.049 57.049 57.265 -0.216 18182 6246 1 10 . 1 1 81 81 SER CB C 739 66.839 66.839 65.876 0.963 18182 6247 1 10 . 1 1 81 81 SER H H 739 7.447 7.447 7.453 -0.006 18182 6248 1 10 . 1 1 82 82 LEU N N 740 122.626 122.626 122.184 0.442 18182 6249 1 10 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.078 -0.267 18182 6250 1 10 . 1 1 82 82 LEU C C 740 177.172 177.172 177.484 -0.312 18182 6251 1 10 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.250 -0.781 18182 6252 1 10 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.668 -0.849 18182 6253 1 10 . 1 1 82 82 LEU H H 740 8.969 8.969 8.746 0.223 18182 6254 1 10 . 1 1 83 83 LEU N N 741 116.575 116.575 119.405 -2.830 18182 6255 1 10 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.866 -0.029 18182 6256 1 10 . 1 1 83 83 LEU C C 741 177.492 177.492 178.402 -0.910 18182 6257 1 10 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.620 -0.356 18182 6258 1 10 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.683 0.246 18182 6259 1 10 . 1 1 83 83 LEU H H 741 7.770 7.770 8.008 -0.238 18182 6260 1 10 . 1 1 84 84 GLU N N 742 116.865 116.865 119.184 -2.319 18182 6261 1 10 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.200 -0.282 18182 6262 1 10 . 1 1 84 84 GLU C C 742 178.252 178.252 179.054 -0.802 18182 6263 1 10 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.360 0.031 18182 6264 1 10 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.464 0.995 18182 6265 1 10 . 1 1 84 84 GLU H H 742 7.585 7.585 7.775 -0.190 18182 6266 1 10 . 1 1 85 85 LEU N N 743 122.164 122.164 120.498 1.666 18182 6267 1 10 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.711 -0.683 18182 6268 1 10 . 1 1 85 85 LEU C C 743 177.335 177.335 178.350 -1.015 18182 6269 1 10 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.777 0.994 18182 6270 1 10 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.581 0.246 18182 6271 1 10 . 1 1 85 85 LEU H H 743 7.109 7.109 7.504 -0.395 18182 6272 1 10 . 1 1 86 86 VAL N N 744 119.760 119.760 118.974 0.786 18182 6273 1 10 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.264 -0.411 18182 6274 1 10 . 1 1 86 86 VAL C C 744 177.675 177.675 178.044 -0.369 18182 6275 1 10 . 1 1 86 86 VAL CA C 744 67.113 67.113 67.108 0.005 18182 6276 1 10 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.144 -0.033 18182 6277 1 10 . 1 1 86 86 VAL H H 744 8.113 8.113 8.264 -0.151 18182 6278 1 10 . 1 1 87 87 GLU N N 745 116.227 116.227 120.017 -3.790 18182 6279 1 10 . 1 1 87 87 GLU HA H 745 3.762 3.762 4.198 -0.436 18182 6280 1 10 . 1 1 87 87 GLU C C 745 179.530 179.530 179.249 0.281 18182 6281 1 10 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.072 0.366 18182 6282 1 10 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.608 -0.456 18182 6283 1 10 . 1 1 87 87 GLU H H 745 8.182 8.182 8.269 -0.087 18182 6284 1 10 . 1 1 88 88 TYR N N 746 120.102 120.102 120.195 -0.093 18182 6285 1 10 . 1 1 88 88 TYR HA H 746 4.147 4.147 3.967 0.180 18182 6286 1 10 . 1 1 88 88 TYR C C 746 179.970 179.970 177.965 2.005 18182 6287 1 10 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.713 1.017 18182 6288 1 10 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.660 0.228 18182 6289 1 10 . 1 1 88 88 TYR H H 746 7.795 7.795 8.073 -0.278 18182 6290 1 10 . 1 1 89 89 TYR N N 747 118.508 118.508 116.853 1.655 18182 6291 1 10 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.448 0.653 18182 6292 1 10 . 1 1 89 89 TYR C C 747 175.885 175.885 178.503 -2.618 18182 6293 1 10 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.151 0.026 18182 6294 1 10 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.882 -0.839 18182 6295 1 10 . 1 1 89 89 TYR H H 747 7.798 7.798 8.245 -0.447 18182 6296 1 10 . 1 1 90 90 GLN N N 748 118.741 118.741 118.135 0.606 18182 6297 1 10 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.792 0.628 18182 6298 1 10 . 1 1 90 90 GLN C C 748 177.767 177.767 176.596 1.171 18182 6299 1 10 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.914 -1.043 18182 6300 1 10 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.431 0.242 18182 6301 1 10 . 1 1 90 90 GLN H H 748 7.925 7.925 7.752 0.173 18182 6302 1 10 . 1 1 91 91 CYS N N 749 111.312 111.312 113.980 -2.668 18182 6303 1 10 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.288 0.353 18182 6304 1 10 . 1 1 91 91 CYS C C 749 173.010 173.010 175.067 -2.057 18182 6305 1 10 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.249 -1.714 18182 6306 1 10 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.616 -0.437 18182 6307 1 10 . 1 1 91 91 CYS H H 749 7.178 7.178 7.172 0.006 18182 6308 1 10 . 1 1 92 92 HIS N N 750 120.386 120.386 119.614 0.772 18182 6309 1 10 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.535 -0.167 18182 6310 1 10 . 1 1 92 92 HIS C C 750 171.815 171.815 174.313 -2.498 18182 6311 1 10 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.109 0.059 18182 6312 1 10 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.410 -1.104 18182 6313 1 10 . 1 1 92 92 HIS H H 750 7.540 7.540 7.547 -0.007 18182 6314 1 10 . 1 1 93 93 SER N N 751 113.259 113.259 117.572 -4.313 18182 6315 1 10 . 1 1 93 93 SER HA H 751 3.812 3.812 4.258 -0.446 18182 6316 1 10 . 1 1 93 93 SER C C 751 176.644 176.644 176.069 0.575 18182 6317 1 10 . 1 1 93 93 SER CA C 751 58.040 58.040 57.430 0.610 18182 6318 1 10 . 1 1 93 93 SER CB C 751 62.954 62.954 63.957 -1.003 18182 6319 1 10 . 1 1 93 93 SER H H 751 8.397 8.397 8.779 -0.382 18182 6320 1 10 . 1 1 94 94 LEU N N 752 127.166 127.166 127.092 0.074 18182 6321 1 10 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.328 -0.188 18182 6322 1 10 . 1 1 94 94 LEU C C 752 177.462 177.462 178.011 -0.549 18182 6323 1 10 . 1 1 94 94 LEU CA C 752 58.300 58.300 57.495 0.805 18182 6324 1 10 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.679 0.653 18182 6325 1 10 . 1 1 94 94 LEU H H 752 8.580 8.580 8.565 0.015 18182 6326 1 10 . 1 1 95 95 LYS N N 753 122.119 122.119 119.023 3.096 18182 6327 1 10 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.439 0.001 18182 6328 1 10 . 1 1 95 95 LYS C C 753 176.253 176.253 179.043 -2.790 18182 6329 1 10 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.782 -1.553 18182 6330 1 10 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.700 0.644 18182 6331 1 10 . 1 1 95 95 LYS H H 753 8.322 8.322 7.568 0.754 18182 6332 1 10 . 1 1 96 96 GLU N N 754 115.310 115.310 119.788 -4.478 18182 6333 1 10 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.053 0.084 18182 6334 1 10 . 1 1 96 96 GLU C C 754 176.704 176.704 178.326 -1.622 18182 6335 1 10 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.761 -0.272 18182 6336 1 10 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.393 0.284 18182 6337 1 10 . 1 1 96 96 GLU H H 754 7.197 7.197 7.897 -0.700 18182 6338 1 10 . 1 1 97 97 SER N N 755 113.390 113.390 113.928 -0.538 18182 6339 1 10 . 1 1 97 97 SER HA H 755 4.583 4.583 4.361 0.222 18182 6340 1 10 . 1 1 97 97 SER C C 755 171.185 171.185 174.660 -3.475 18182 6341 1 10 . 1 1 97 97 SER CA C 755 59.569 59.569 59.473 0.096 18182 6342 1 10 . 1 1 97 97 SER CB C 755 66.435 66.435 64.416 2.019 18182 6343 1 10 . 1 1 97 97 SER H H 755 7.857 7.857 7.559 0.298 18182 6344 1 10 . 1 1 98 98 PHE N N 756 121.328 121.328 121.145 0.183 18182 6345 1 10 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.807 -0.042 18182 6346 1 10 . 1 1 98 98 PHE C C 756 175.774 175.774 175.745 0.029 18182 6347 1 10 . 1 1 98 98 PHE CA C 756 56.871 56.871 55.688 1.183 18182 6348 1 10 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.595 1.116 18182 6349 1 10 . 1 1 98 98 PHE H H 756 8.409 8.409 8.582 -0.173 18182 6350 1 10 . 1 1 99 99 LYS N N 757 121.656 121.656 125.208 -3.552 18182 6351 1 10 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.179 -0.066 18182 6352 1 10 . 1 1 99 99 LYS C C 757 177.188 177.188 177.356 -0.168 18182 6353 1 10 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.267 0.470 18182 6354 1 10 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.350 0.006 18182 6355 1 10 . 1 1 99 99 LYS H H 757 8.602 8.602 8.851 -0.249 18182 6356 1 10 . 1 1 100 100 GLN N N 758 115.783 115.783 116.236 -0.453 18182 6357 1 10 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.266 0.117 18182 6358 1 10 . 1 1 100 100 GLN C C 758 175.849 175.849 176.078 -0.229 18182 6359 1 10 . 1 1 100 100 GLN CA C 758 55.832 55.832 56.693 -0.861 18182 6360 1 10 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.993 -0.676 18182 6361 1 10 . 1 1 100 100 GLN H H 758 9.139 9.139 8.425 0.714 18182 6362 1 10 . 1 1 101 101 LEU N N 759 124.876 124.876 121.603 3.273 18182 6363 1 10 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.731 -1.039 18182 6364 1 10 . 1 1 101 101 LEU C C 759 173.219 173.219 174.809 -1.590 18182 6365 1 10 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.579 -2.131 18182 6366 1 10 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.800 -1.812 18182 6367 1 10 . 1 1 101 101 LEU H H 759 7.924 7.924 7.736 0.188 18182 6368 1 10 . 1 1 102 102 ASP N N 760 119.263 119.263 122.779 -3.516 18182 6369 1 10 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.822 -0.255 18182 6370 1 10 . 1 1 102 102 ASP C C 760 173.570 173.570 174.116 -0.546 18182 6371 1 10 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.858 -1.984 18182 6372 1 10 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.005 -2.976 18182 6373 1 10 . 1 1 102 102 ASP H H 760 6.564 6.564 8.818 -2.254 18182 6374 1 10 . 1 1 103 103 THR N N 761 117.311 117.311 113.382 3.929 18182 6375 1 10 . 1 1 103 103 THR HA H 761 4.701 4.701 4.206 0.495 18182 6376 1 10 . 1 1 103 103 THR C C 761 172.169 172.169 172.714 -0.545 18182 6377 1 10 . 1 1 103 103 THR CA C 761 60.491 60.491 59.692 0.799 18182 6378 1 10 . 1 1 103 103 THR CB C 761 69.358 69.358 70.130 -0.772 18182 6379 1 10 . 1 1 103 103 THR H H 761 7.699 7.699 7.492 0.207 18182 6380 1 10 . 1 1 104 104 THR N N 762 114.211 114.211 113.541 0.670 18182 6381 1 10 . 1 1 104 104 THR HA H 762 4.603 4.603 4.487 0.116 18182 6382 1 10 . 1 1 104 104 THR C C 762 175.647 175.647 173.649 1.998 18182 6383 1 10 . 1 1 104 104 THR CA C 762 60.899 60.899 60.114 0.785 18182 6384 1 10 . 1 1 104 104 THR CB C 762 70.981 70.981 72.028 -1.047 18182 6385 1 10 . 1 1 104 104 THR H H 762 7.300 7.300 8.007 -0.707 18182 6386 1 10 . 1 1 105 105 LEU N N 763 117.640 117.640 121.679 -4.039 18182 6387 1 10 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.680 -0.157 18182 6388 1 10 . 1 1 105 105 LEU C C 763 174.500 174.500 176.378 -1.878 18182 6389 1 10 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.867 -0.712 18182 6390 1 10 . 1 1 105 105 LEU CB C 763 35.747 35.747 38.992 -3.245 18182 6391 1 10 . 1 1 105 105 LEU H H 763 8.113 8.113 8.511 -0.399 18182 6392 1 10 . 1 1 106 106 LYS N N 764 127.345 127.345 122.838 4.507 18182 6393 1 10 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.150 -0.139 18182 6394 1 10 . 1 1 106 106 LYS C C 764 176.781 176.781 176.440 0.341 18182 6395 1 10 . 1 1 106 106 LYS CA C 764 59.888 59.888 57.081 2.807 18182 6396 1 10 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.353 0.870 18182 6397 1 10 . 1 1 106 106 LYS H H 764 7.181 7.181 7.951 -0.770 18182 6398 1 10 . 1 1 107 107 TYR N N 765 115.756 115.756 117.809 -2.053 18182 6399 1 10 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.973 0.548 18182 6400 1 10 . 1 1 107 107 TYR C C 765 172.106 172.106 172.455 -0.349 18182 6401 1 10 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.398 -2.777 18182 6402 1 10 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.791 1.727 18182 6403 1 10 . 1 1 107 107 TYR H H 765 7.877 7.877 7.663 0.214 18182 6404 1 10 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.236 -0.563 18182 6405 1 10 . 1 1 108 108 PRO C C 766 180.696 180.696 176.636 4.060 18182 6406 1 10 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.884 0.727 18182 6407 1 10 . 1 1 109 109 TYR N N 767 122.570 122.570 115.644 6.926 18182 6408 1 10 . 1 1 109 109 TYR HA H 767 3.817 3.817 3.995 -0.178 18182 6409 1 10 . 1 1 109 109 TYR C C 767 174.769 174.769 177.300 -2.531 18182 6410 1 10 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.279 0.904 18182 6411 1 10 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.620 -0.153 18182 6412 1 10 . 1 1 109 109 TYR H H 767 8.341 8.341 8.108 0.233 18182 6413 1 10 . 1 1 110 110 LYS N N 768 118.398 118.398 117.802 0.596 18182 6414 1 10 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.057 -0.115 18182 6415 1 10 . 1 1 110 110 LYS C C 768 176.453 176.453 176.024 0.429 18182 6416 1 10 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.288 -0.387 18182 6417 1 10 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.642 -0.061 18182 6418 1 10 . 1 1 110 110 LYS H H 768 6.790 6.790 6.809 -0.019 18182 6419 1 10 . 1 1 111 111 SER N N 769 114.260 114.260 112.810 1.450 18182 6420 1 10 . 1 1 111 111 SER HA H 769 4.384 4.384 4.323 0.061 18182 6421 1 10 . 1 1 111 111 SER C C 769 174.124 174.124 174.510 -0.386 18182 6422 1 10 . 1 1 111 111 SER CA C 769 58.802 58.802 58.510 0.292 18182 6423 1 10 . 1 1 111 111 SER CB C 769 64.206 64.206 62.946 1.260 18182 6424 1 10 . 1 1 111 111 SER H H 769 7.769 7.769 8.033 -0.264 18182 6425 1 10 . 1 1 112 112 ARG N N 770 122.485 122.485 122.150 0.335 18182 6426 1 10 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.386 -0.008 18182 6427 1 10 . 1 1 112 112 ARG C C 770 175.139 175.139 175.755 -0.616 18182 6428 1 10 . 1 1 112 112 ARG CA C 770 55.628 55.628 56.090 -0.463 18182 6429 1 10 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.144 0.791 18182 6430 1 10 . 1 1 112 112 ARG H H 770 8.109 8.109 8.314 -0.205 18182 6431 1 11 . 1 1 2 2 ARG N N 660 123.565 123.565 122.886 0.679 18182 6432 1 11 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.285 0.345 18182 6433 1 11 . 1 1 2 2 ARG C C 660 173.529 173.529 174.020 -0.491 18182 6434 1 11 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.066 -2.197 18182 6435 1 11 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.868 0.560 18182 6436 1 11 . 1 1 2 2 ARG H H 660 8.295 8.295 8.046 0.249 18182 6437 1 11 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.662 0.010 18182 6438 1 11 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.511 -0.099 18182 6439 1 11 . 1 1 4 4 PRO C C 662 177.096 177.096 176.574 0.522 18182 6440 1 11 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.565 0.731 18182 6441 1 11 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.503 -0.481 18182 6442 1 11 . 1 1 5 5 SER N N 663 116.025 116.025 114.552 1.473 18182 6443 1 11 . 1 1 5 5 SER HA H 663 4.374 4.374 4.635 -0.261 18182 6444 1 11 . 1 1 5 5 SER C C 663 174.815 174.815 173.707 1.108 18182 6445 1 11 . 1 1 5 5 SER CA C 663 58.797 58.797 58.590 0.207 18182 6446 1 11 . 1 1 5 5 SER CB C 663 64.024 64.024 63.446 0.578 18182 6447 1 11 . 1 1 5 5 SER H H 663 8.406 8.406 8.395 0.011 18182 6448 1 11 . 1 1 6 6 ARG N N 664 122.062 122.062 124.537 -2.475 18182 6449 1 11 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.658 -0.279 18182 6450 1 11 . 1 1 6 6 ARG C C 664 175.958 175.958 175.941 0.017 18182 6451 1 11 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.958 0.178 18182 6452 1 11 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.096 -0.384 18182 6453 1 11 . 1 1 6 6 ARG H H 664 8.371 8.371 8.607 -0.236 18182 6454 1 11 . 1 1 7 7 GLU N N 665 122.160 122.160 123.660 -1.500 18182 6455 1 11 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.595 -0.282 18182 6456 1 11 . 1 1 7 7 GLU C C 665 175.842 175.842 176.020 -0.178 18182 6457 1 11 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.726 0.684 18182 6458 1 11 . 1 1 7 7 GLU CB C 665 29.972 29.972 31.209 -1.237 18182 6459 1 11 . 1 1 7 7 GLU H H 665 8.352 8.352 8.501 -0.149 18182 6460 1 11 . 1 1 8 8 ILE N N 666 123.828 123.828 121.685 2.143 18182 6461 1 11 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.297 -0.457 18182 6462 1 11 . 1 1 8 8 ILE C C 666 174.373 174.373 175.497 -1.124 18182 6463 1 11 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.929 -0.003 18182 6464 1 11 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.082 0.459 18182 6465 1 11 . 1 1 8 8 ILE H H 666 7.938 7.938 8.357 -0.419 18182 6466 1 11 . 1 1 9 9 ASP N N 667 124.338 124.338 127.782 -3.444 18182 6467 1 11 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.802 -0.183 18182 6468 1 11 . 1 1 9 9 ASP C C 667 177.006 177.006 176.550 0.456 18182 6469 1 11 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.965 -1.913 18182 6470 1 11 . 1 1 9 9 ASP CB C 667 40.364 40.364 41.446 -1.082 18182 6471 1 11 . 1 1 9 9 ASP H H 667 8.111 8.111 8.722 -0.611 18182 6472 1 11 . 1 1 10 10 TYR N N 668 125.199 125.199 123.583 1.616 18182 6473 1 11 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.285 -0.097 18182 6474 1 11 . 1 1 10 10 TYR C C 668 175.947 175.947 177.056 -1.109 18182 6475 1 11 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.204 0.479 18182 6476 1 11 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.843 -1.607 18182 6477 1 11 . 1 1 10 10 TYR H H 668 8.495 8.495 8.540 -0.045 18182 6478 1 11 . 1 1 11 11 THR N N 669 108.617 108.617 111.678 -3.061 18182 6479 1 11 . 1 1 11 11 THR HA H 669 4.148 4.148 3.628 0.520 18182 6480 1 11 . 1 1 11 11 THR C C 669 175.184 175.184 175.419 -0.235 18182 6481 1 11 . 1 1 11 11 THR CA C 669 65.022 65.022 64.020 1.002 18182 6482 1 11 . 1 1 11 11 THR CB C 669 69.280 69.280 67.670 1.610 18182 6483 1 11 . 1 1 11 11 THR H H 669 8.011 8.011 7.947 0.064 18182 6484 1 11 . 1 1 12 12 ALA N N 670 121.275 121.275 123.374 -2.099 18182 6485 1 11 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.109 -0.033 18182 6486 1 11 . 1 1 12 12 ALA C C 670 177.815 177.815 177.743 0.072 18182 6487 1 11 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.753 -0.197 18182 6488 1 11 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.635 0.239 18182 6489 1 11 . 1 1 12 12 ALA H H 670 7.411 7.411 7.244 0.167 18182 6490 1 11 . 1 1 13 13 TYR N N 671 117.883 117.883 118.116 -0.233 18182 6491 1 11 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.132 0.169 18182 6492 1 11 . 1 1 13 13 TYR C C 671 176.698 176.698 175.798 0.900 18182 6493 1 11 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.777 0.209 18182 6494 1 11 . 1 1 13 13 TYR CB C 671 36.815 36.815 36.975 -0.160 18182 6495 1 11 . 1 1 13 13 TYR H H 671 7.538 7.538 7.330 0.208 18182 6496 1 11 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.234 0.122 18182 6497 1 11 . 1 1 14 14 PRO C C 672 173.452 173.452 175.958 -2.506 18182 6498 1 11 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.126 0.197 18182 6499 1 11 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.108 -0.885 18182 6500 1 11 . 1 1 15 15 TRP N N 673 110.044 110.044 112.663 -2.619 18182 6501 1 11 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.867 -0.075 18182 6502 1 11 . 1 1 15 15 TRP C C 673 175.577 175.577 174.178 1.399 18182 6503 1 11 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.458 -1.301 18182 6504 1 11 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.898 3.474 18182 6505 1 11 . 1 1 15 15 TRP H H 673 6.229 6.229 7.232 -1.003 18182 6506 1 11 . 1 1 16 16 PHE N N 674 123.205 123.205 123.015 0.190 18182 6507 1 11 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.948 0.223 18182 6508 1 11 . 1 1 16 16 PHE C C 674 174.832 174.832 174.001 0.831 18182 6509 1 11 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.939 2.933 18182 6510 1 11 . 1 1 16 16 PHE CB C 674 40.208 40.208 41.363 -1.155 18182 6511 1 11 . 1 1 16 16 PHE H H 674 7.625 7.625 7.520 0.105 18182 6512 1 11 . 1 1 17 17 ALA N N 675 130.669 130.669 129.779 0.890 18182 6513 1 11 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.844 0.104 18182 6514 1 11 . 1 1 17 17 ALA C C 675 177.266 177.266 175.191 2.075 18182 6515 1 11 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.580 0.688 18182 6516 1 11 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.519 -0.091 18182 6517 1 11 . 1 1 17 17 ALA H H 675 9.097 9.097 8.972 0.125 18182 6518 1 11 . 1 1 18 18 GLY C C 676 174.230 174.230 173.968 0.262 18182 6519 1 11 . 1 1 18 18 GLY CA C 676 46.930 46.930 43.633 3.297 18182 6520 1 11 . 1 1 19 19 ASN N N 677 124.910 124.910 122.670 2.240 18182 6521 1 11 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.336 0.558 18182 6522 1 11 . 1 1 19 19 ASN C C 677 174.597 174.597 173.870 0.727 18182 6523 1 11 . 1 1 19 19 ASN CA C 677 52.942 52.942 54.198 -1.256 18182 6524 1 11 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.203 -1.244 18182 6525 1 11 . 1 1 19 19 ASN H H 677 8.682 8.682 8.512 0.170 18182 6526 1 11 . 1 1 20 20 MET N N 678 122.347 122.347 122.420 -0.073 18182 6527 1 11 . 1 1 20 20 MET HA H 678 4.115 4.115 4.708 -0.593 18182 6528 1 11 . 1 1 20 20 MET C C 678 175.451 175.451 174.684 0.767 18182 6529 1 11 . 1 1 20 20 MET CA C 678 56.675 56.675 54.795 1.880 18182 6530 1 11 . 1 1 20 20 MET CB C 678 35.208 35.208 36.245 -1.037 18182 6531 1 11 . 1 1 20 20 MET H H 678 7.006 7.006 8.280 -1.274 18182 6532 1 11 . 1 1 21 21 GLU N N 679 124.989 124.989 122.116 2.873 18182 6533 1 11 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.439 -0.148 18182 6534 1 11 . 1 1 21 21 GLU C C 679 178.232 178.232 176.897 1.335 18182 6535 1 11 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.621 0.506 18182 6536 1 11 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.036 -0.104 18182 6537 1 11 . 1 1 21 21 GLU H H 679 8.761 8.761 8.722 0.039 18182 6538 1 11 . 1 1 22 22 ARG N N 680 125.521 125.521 122.666 2.855 18182 6539 1 11 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.039 -0.703 18182 6540 1 11 . 1 1 22 22 ARG C C 680 177.707 177.707 178.139 -0.432 18182 6541 1 11 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.752 0.292 18182 6542 1 11 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.068 -0.011 18182 6543 1 11 . 1 1 22 22 ARG H H 680 9.406 9.406 8.834 0.572 18182 6544 1 11 . 1 1 23 23 GLN N N 681 117.320 117.320 117.922 -0.602 18182 6545 1 11 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.049 0.016 18182 6546 1 11 . 1 1 23 23 GLN C C 681 178.317 178.317 178.354 -0.037 18182 6547 1 11 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.805 0.946 18182 6548 1 11 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.640 0.144 18182 6549 1 11 . 1 1 23 23 GLN H H 681 9.048 9.048 8.704 0.344 18182 6550 1 11 . 1 1 24 24 GLN N N 682 117.909 117.909 119.778 -1.869 18182 6551 1 11 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.160 -0.039 18182 6552 1 11 . 1 1 24 24 GLN C C 682 178.190 178.190 178.530 -0.340 18182 6553 1 11 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.970 -0.227 18182 6554 1 11 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.675 -0.360 18182 6555 1 11 . 1 1 24 24 GLN H H 682 7.182 7.182 8.295 -1.113 18182 6556 1 11 . 1 1 25 25 THR N N 683 117.007 117.007 116.784 0.223 18182 6557 1 11 . 1 1 25 25 THR HA H 683 3.681 3.681 3.935 -0.254 18182 6558 1 11 . 1 1 25 25 THR C C 683 175.786 175.786 176.505 -0.719 18182 6559 1 11 . 1 1 25 25 THR CA C 683 67.702 67.702 67.936 -0.234 18182 6560 1 11 . 1 1 25 25 THR CB C 683 68.000 68.000 68.367 -0.367 18182 6561 1 11 . 1 1 25 25 THR H H 683 7.903 7.903 8.367 -0.464 18182 6562 1 11 . 1 1 26 26 ASP N N 684 122.824 122.824 120.798 2.026 18182 6563 1 11 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.434 -0.154 18182 6564 1 11 . 1 1 26 26 ASP C C 684 178.269 178.269 178.508 -0.239 18182 6565 1 11 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.702 0.434 18182 6566 1 11 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.897 -0.719 18182 6567 1 11 . 1 1 26 26 ASP H H 684 8.430 8.430 8.593 -0.163 18182 6568 1 11 . 1 1 27 27 ASN N N 685 115.634 115.634 118.559 -2.925 18182 6569 1 11 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.547 -0.188 18182 6570 1 11 . 1 1 27 27 ASN C C 685 177.065 177.065 178.035 -0.970 18182 6571 1 11 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.289 0.622 18182 6572 1 11 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.454 0.052 18182 6573 1 11 . 1 1 27 27 ASN H H 685 7.647 7.647 7.791 -0.144 18182 6574 1 11 . 1 1 28 28 LEU N N 686 120.594 120.594 122.063 -1.469 18182 6575 1 11 . 1 1 28 28 LEU HA H 686 4.229 4.229 3.990 0.239 18182 6576 1 11 . 1 1 28 28 LEU C C 686 179.502 179.502 178.628 0.874 18182 6577 1 11 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.649 -0.669 18182 6578 1 11 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.261 0.842 18182 6579 1 11 . 1 1 28 28 LEU H H 686 8.093 8.093 8.532 -0.439 18182 6580 1 11 . 1 1 29 29 LEU N N 687 115.149 115.149 116.808 -1.659 18182 6581 1 11 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.280 -0.198 18182 6582 1 11 . 1 1 29 29 LEU C C 687 178.910 178.910 179.108 -0.198 18182 6583 1 11 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.891 0.026 18182 6584 1 11 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.715 1.183 18182 6585 1 11 . 1 1 29 29 LEU H H 687 8.386 8.386 7.970 0.416 18182 6586 1 11 . 1 1 30 30 LYS N N 688 118.086 118.086 118.944 -0.858 18182 6587 1 11 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.034 -0.296 18182 6588 1 11 . 1 1 30 30 LYS C C 688 177.312 177.312 178.014 -0.702 18182 6589 1 11 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.040 1.469 18182 6590 1 11 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.544 -0.454 18182 6591 1 11 . 1 1 30 30 LYS H H 688 7.752 7.752 7.681 0.071 18182 6592 1 11 . 1 1 31 31 SER N N 689 111.134 111.134 112.270 -1.136 18182 6593 1 11 . 1 1 31 31 SER HA H 689 4.460 4.460 4.297 0.163 18182 6594 1 11 . 1 1 31 31 SER C C 689 174.501 174.501 174.505 -0.004 18182 6595 1 11 . 1 1 31 31 SER CA C 689 58.559 58.559 60.144 -1.585 18182 6596 1 11 . 1 1 31 31 SER CB C 689 63.528 63.528 63.496 0.032 18182 6597 1 11 . 1 1 31 31 SER H H 689 7.629 7.629 7.575 0.054 18182 6598 1 11 . 1 1 32 32 HIS N N 690 120.218 120.218 119.650 0.568 18182 6599 1 11 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.638 0.018 18182 6600 1 11 . 1 1 32 32 HIS C C 690 173.855 173.855 174.216 -0.361 18182 6601 1 11 . 1 1 32 32 HIS CA C 690 56.219 56.219 55.275 0.944 18182 6602 1 11 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.826 1.098 18182 6603 1 11 . 1 1 32 32 HIS H H 690 7.701 7.701 7.038 0.663 18182 6604 1 11 . 1 1 33 33 ALA N N 691 120.317 120.317 122.382 -2.065 18182 6605 1 11 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.561 -0.230 18182 6606 1 11 . 1 1 33 33 ALA C C 691 179.494 179.494 176.842 2.652 18182 6607 1 11 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.325 0.525 18182 6608 1 11 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.477 -0.433 18182 6609 1 11 . 1 1 33 33 ALA H H 691 8.453 8.453 8.587 -0.134 18182 6610 1 11 . 1 1 34 34 SER N N 692 117.274 117.274 114.762 2.512 18182 6611 1 11 . 1 1 34 34 SER HA H 692 4.089 4.089 4.180 -0.091 18182 6612 1 11 . 1 1 34 34 SER C C 692 175.336 175.336 175.495 -0.159 18182 6613 1 11 . 1 1 34 34 SER CA C 692 60.531 60.531 60.638 -0.107 18182 6614 1 11 . 1 1 34 34 SER CB C 692 63.308 63.308 63.628 -0.320 18182 6615 1 11 . 1 1 34 34 SER H H 692 8.997 8.997 8.754 0.243 18182 6616 1 11 . 1 1 35 35 GLY N N 693 113.573 113.573 111.940 1.633 18182 6617 1 11 . 1 1 35 35 GLY C C 693 174.808 174.808 174.832 -0.024 18182 6618 1 11 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.108 -0.249 18182 6619 1 11 . 1 1 35 35 GLY H H 693 9.926 9.926 8.978 0.948 18182 6620 1 11 . 1 1 36 36 THR N N 694 121.076 121.076 120.668 0.408 18182 6621 1 11 . 1 1 36 36 THR HA H 694 5.962 5.962 5.097 0.865 18182 6622 1 11 . 1 1 36 36 THR C C 694 173.297 173.297 174.061 -0.764 18182 6623 1 11 . 1 1 36 36 THR CA C 694 63.612 63.612 64.650 -1.038 18182 6624 1 11 . 1 1 36 36 THR CB C 694 68.317 68.317 69.019 -0.702 18182 6625 1 11 . 1 1 36 36 THR H H 694 8.291 8.291 7.466 0.825 18182 6626 1 11 . 1 1 37 37 TYR N N 695 123.616 123.616 124.814 -1.198 18182 6627 1 11 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.832 0.209 18182 6628 1 11 . 1 1 37 37 TYR C C 695 171.831 171.831 173.343 -1.512 18182 6629 1 11 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.768 0.537 18182 6630 1 11 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.970 2.389 18182 6631 1 11 . 1 1 37 37 TYR H H 695 8.805 8.805 9.107 -0.302 18182 6632 1 11 . 1 1 38 38 LEU N N 696 115.449 115.449 114.458 0.991 18182 6633 1 11 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.093 0.066 18182 6634 1 11 . 1 1 38 38 LEU C C 696 174.331 174.331 174.612 -0.281 18182 6635 1 11 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.761 -0.904 18182 6636 1 11 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.190 0.704 18182 6637 1 11 . 1 1 38 38 LEU H H 696 9.105 9.105 8.531 0.574 18182 6638 1 11 . 1 1 39 39 ILE N N 697 121.911 121.911 120.675 1.236 18182 6639 1 11 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.799 0.620 18182 6640 1 11 . 1 1 39 39 ILE C C 697 173.476 173.476 175.257 -1.781 18182 6641 1 11 . 1 1 39 39 ILE CA C 697 59.925 59.925 59.953 -0.028 18182 6642 1 11 . 1 1 39 39 ILE CB C 697 38.929 38.929 39.277 -0.348 18182 6643 1 11 . 1 1 39 39 ILE H H 697 9.313 9.313 8.106 1.207 18182 6644 1 11 . 1 1 40 40 ARG N N 698 122.878 122.878 125.499 -2.621 18182 6645 1 11 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.015 0.277 18182 6646 1 11 . 1 1 40 40 ARG C C 698 174.308 174.308 174.979 -0.671 18182 6647 1 11 . 1 1 40 40 ARG CA C 698 51.744 51.744 54.116 -2.372 18182 6648 1 11 . 1 1 40 40 ARG CB C 698 33.517 33.517 32.811 0.706 18182 6649 1 11 . 1 1 40 40 ARG H H 698 9.185 9.185 8.872 0.313 18182 6650 1 11 . 1 1 41 41 GLU N N 699 122.405 122.405 121.456 0.949 18182 6651 1 11 . 1 1 41 41 GLU HA H 699 4.897 4.897 5.080 -0.183 18182 6652 1 11 . 1 1 41 41 GLU C C 699 176.242 176.242 174.629 1.613 18182 6653 1 11 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.351 0.175 18182 6654 1 11 . 1 1 41 41 GLU CB C 699 32.133 32.133 31.866 0.267 18182 6655 1 11 . 1 1 41 41 GLU H H 699 8.634 8.634 8.738 -0.104 18182 6656 1 11 . 1 1 42 42 ARG N N 700 125.045 125.045 124.293 0.752 18182 6657 1 11 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.923 -0.229 18182 6658 1 11 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.239 0.334 18182 6659 1 11 . 1 1 42 42 ARG H H 700 8.639 8.639 7.888 0.751 18182 6660 1 11 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.477 -0.063 18182 6661 1 11 . 1 1 43 43 PRO CA C 701 63.411 63.411 62.867 0.544 18182 6662 1 11 . 1 1 43 43 PRO CB C 701 30.498 30.498 32.375 -1.877 18182 6663 1 11 . 1 1 44 44 ALA N N 702 122.925 122.925 125.396 -2.471 18182 6664 1 11 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.517 -0.195 18182 6665 1 11 . 1 1 44 44 ALA C C 702 176.610 176.610 176.121 0.489 18182 6666 1 11 . 1 1 44 44 ALA CA C 702 51.802 51.802 52.050 -0.248 18182 6667 1 11 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.841 -0.450 18182 6668 1 11 . 1 1 44 44 ALA H H 702 7.888 7.888 8.010 -0.122 18182 6669 1 11 . 1 1 45 45 GLU N N 703 118.799 118.799 119.737 -0.938 18182 6670 1 11 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.538 -0.301 18182 6671 1 11 . 1 1 45 45 GLU C C 703 176.717 176.717 175.931 0.786 18182 6672 1 11 . 1 1 45 45 GLU CA C 703 56.901 56.901 55.967 0.934 18182 6673 1 11 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.810 0.276 18182 6674 1 11 . 1 1 45 45 GLU H H 703 7.947 7.947 8.914 -0.967 18182 6675 1 11 . 1 1 46 46 ALA N N 704 120.631 120.631 120.797 -0.166 18182 6676 1 11 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.348 0.067 18182 6677 1 11 . 1 1 46 46 ALA C C 704 178.411 178.411 175.134 3.277 18182 6678 1 11 . 1 1 46 46 ALA CA C 704 54.208 54.208 52.454 1.754 18182 6679 1 11 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.558 -0.315 18182 6680 1 11 . 1 1 46 46 ALA H H 704 8.643 8.643 7.593 1.050 18182 6681 1 11 . 1 1 47 47 GLU N N 705 119.341 119.341 118.894 0.447 18182 6682 1 11 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.723 0.133 18182 6683 1 11 . 1 1 47 47 GLU C C 705 176.013 176.013 175.398 0.615 18182 6684 1 11 . 1 1 47 47 GLU CA C 705 54.858 54.858 56.023 -1.165 18182 6685 1 11 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.445 -3.611 18182 6686 1 11 . 1 1 47 47 GLU H H 705 7.635 7.635 8.208 -0.573 18182 6687 1 11 . 1 1 48 48 ARG N N 706 120.355 120.355 121.068 -0.713 18182 6688 1 11 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.448 -0.483 18182 6689 1 11 . 1 1 48 48 ARG C C 706 175.117 175.117 175.278 -0.161 18182 6690 1 11 . 1 1 48 48 ARG CA C 706 58.155 58.155 57.089 1.066 18182 6691 1 11 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.185 -1.494 18182 6692 1 11 . 1 1 48 48 ARG H H 706 7.971 7.971 7.970 0.001 18182 6693 1 11 . 1 1 49 49 PHE N N 707 112.251 112.251 116.009 -3.758 18182 6694 1 11 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.906 0.999 18182 6695 1 11 . 1 1 49 49 PHE C C 707 173.875 173.875 173.783 0.092 18182 6696 1 11 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.130 -1.321 18182 6697 1 11 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.660 -0.585 18182 6698 1 11 . 1 1 49 49 PHE H H 707 7.857 7.857 7.482 0.375 18182 6699 1 11 . 1 1 50 50 ALA N N 708 118.730 118.730 120.881 -2.151 18182 6700 1 11 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.353 0.101 18182 6701 1 11 . 1 1 50 50 ALA C C 708 176.479 176.479 175.275 1.204 18182 6702 1 11 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.705 0.137 18182 6703 1 11 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.830 -1.112 18182 6704 1 11 . 1 1 50 50 ALA H H 708 9.205 9.205 8.781 0.424 18182 6705 1 11 . 1 1 51 51 ILE N N 709 120.037 120.037 119.863 0.174 18182 6706 1 11 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.985 -0.239 18182 6707 1 11 . 1 1 51 51 ILE C C 709 175.120 175.120 175.068 0.052 18182 6708 1 11 . 1 1 51 51 ILE CA C 709 60.723 60.723 59.819 0.904 18182 6709 1 11 . 1 1 51 51 ILE CB C 709 40.300 40.300 42.424 -2.124 18182 6710 1 11 . 1 1 51 51 ILE H H 709 9.262 9.262 8.993 0.269 18182 6711 1 11 . 1 1 52 52 SER N N 710 125.087 125.087 119.421 5.666 18182 6712 1 11 . 1 1 52 52 SER HA H 710 5.468 5.468 5.257 0.211 18182 6713 1 11 . 1 1 52 52 SER C C 710 172.060 172.060 172.614 -0.554 18182 6714 1 11 . 1 1 52 52 SER CA C 710 57.761 57.761 57.468 0.293 18182 6715 1 11 . 1 1 52 52 SER CB C 710 65.210 65.210 65.578 -0.368 18182 6716 1 11 . 1 1 52 52 SER H H 710 9.205 9.205 8.999 0.206 18182 6717 1 11 . 1 1 53 53 ILE N N 711 121.753 121.753 123.976 -2.223 18182 6718 1 11 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.014 0.181 18182 6719 1 11 . 1 1 53 53 ILE C C 711 173.070 173.070 173.610 -0.540 18182 6720 1 11 . 1 1 53 53 ILE CA C 711 57.755 57.755 58.841 -1.086 18182 6721 1 11 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.861 0.495 18182 6722 1 11 . 1 1 53 53 ILE H H 711 8.989 8.989 8.344 0.645 18182 6723 1 11 . 1 1 54 54 LYS N N 712 128.758 128.758 127.303 1.455 18182 6724 1 11 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.191 -0.404 18182 6725 1 11 . 1 1 54 54 LYS C C 712 174.899 174.899 175.382 -0.483 18182 6726 1 11 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.027 -0.660 18182 6727 1 11 . 1 1 54 54 LYS CB C 712 33.358 33.358 32.896 0.462 18182 6728 1 11 . 1 1 54 54 LYS H H 712 8.894 8.894 8.611 0.283 18182 6729 1 11 . 1 1 55 55 PHE N N 713 130.369 130.369 127.260 3.109 18182 6730 1 11 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.716 0.231 18182 6731 1 11 . 1 1 55 55 PHE C C 713 174.238 174.238 173.940 0.298 18182 6732 1 11 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.603 0.562 18182 6733 1 11 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.890 -1.086 18182 6734 1 11 . 1 1 55 55 PHE H H 713 9.464 9.464 9.156 0.308 18182 6735 1 11 . 1 1 56 56 ASN N N 714 125.719 125.719 125.412 0.307 18182 6736 1 11 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.093 -0.152 18182 6737 1 11 . 1 1 56 56 ASN C C 714 174.003 174.003 175.037 -1.034 18182 6738 1 11 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.801 1.429 18182 6739 1 11 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.374 -1.234 18182 6740 1 11 . 1 1 56 56 ASN H H 714 8.411 8.411 8.643 -0.232 18182 6741 1 11 . 1 1 57 57 ASP N N 715 117.904 117.904 113.372 4.532 18182 6742 1 11 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.373 0.248 18182 6743 1 11 . 1 1 57 57 ASP C C 715 174.858 174.858 175.449 -0.591 18182 6744 1 11 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.900 -0.718 18182 6745 1 11 . 1 1 57 57 ASP CB C 715 40.886 40.886 39.392 1.494 18182 6746 1 11 . 1 1 57 57 ASP H H 715 8.542 8.542 8.426 0.116 18182 6747 1 11 . 1 1 58 58 GLU N N 716 118.707 118.707 115.701 3.006 18182 6748 1 11 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.661 0.049 18182 6749 1 11 . 1 1 58 58 GLU C C 716 173.755 173.755 174.388 -0.633 18182 6750 1 11 . 1 1 58 58 GLU CA C 716 55.047 55.047 54.536 0.511 18182 6751 1 11 . 1 1 58 58 GLU CB C 716 34.286 34.286 34.833 -0.547 18182 6752 1 11 . 1 1 58 58 GLU H H 716 7.889 7.889 7.663 0.226 18182 6753 1 11 . 1 1 59 59 VAL N N 717 120.720 120.720 121.637 -0.917 18182 6754 1 11 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.470 -0.040 18182 6755 1 11 . 1 1 59 59 VAL C C 717 175.071 175.071 175.940 -0.869 18182 6756 1 11 . 1 1 59 59 VAL CA C 717 62.139 62.139 61.818 0.321 18182 6757 1 11 . 1 1 59 59 VAL CB C 717 32.071 32.071 32.239 -0.168 18182 6758 1 11 . 1 1 59 59 VAL H H 717 8.536 8.536 8.530 0.006 18182 6759 1 11 . 1 1 60 60 LYS N N 718 126.403 126.403 126.422 -0.019 18182 6760 1 11 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.573 -0.018 18182 6761 1 11 . 1 1 60 60 LYS C C 718 174.578 174.578 175.337 -0.759 18182 6762 1 11 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.417 -1.300 18182 6763 1 11 . 1 1 60 60 LYS CB C 718 34.906 34.906 33.889 1.017 18182 6764 1 11 . 1 1 60 60 LYS H H 718 8.879 8.879 8.760 0.119 18182 6765 1 11 . 1 1 61 61 HIS N N 719 118.939 118.939 117.827 1.112 18182 6766 1 11 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.488 0.022 18182 6767 1 11 . 1 1 61 61 HIS C C 719 174.482 174.482 174.926 -0.444 18182 6768 1 11 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.022 0.396 18182 6769 1 11 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.279 1.970 18182 6770 1 11 . 1 1 61 61 HIS H H 719 8.846 8.846 8.346 0.500 18182 6771 1 11 . 1 1 62 62 ILE N N 720 124.690 124.690 123.465 1.225 18182 6772 1 11 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.386 0.122 18182 6773 1 11 . 1 1 62 62 ILE C C 720 176.221 176.221 174.803 1.418 18182 6774 1 11 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.343 -0.060 18182 6775 1 11 . 1 1 62 62 ILE CB C 720 43.022 43.022 40.656 2.366 18182 6776 1 11 . 1 1 62 62 ILE H H 720 9.704 9.704 9.222 0.482 18182 6777 1 11 . 1 1 63 63 LYS N N 721 126.432 126.432 128.116 -1.684 18182 6778 1 11 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.356 -0.221 18182 6779 1 11 . 1 1 63 63 LYS C C 721 174.783 174.783 175.554 -0.771 18182 6780 1 11 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.696 1.782 18182 6781 1 11 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.233 0.620 18182 6782 1 11 . 1 1 63 63 LYS H H 721 9.100 9.100 8.780 0.320 18182 6783 1 11 . 1 1 64 64 VAL N N 722 123.306 123.306 124.183 -0.877 18182 6784 1 11 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.293 -0.035 18182 6785 1 11 . 1 1 64 64 VAL C C 722 174.284 174.284 174.352 -0.068 18182 6786 1 11 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.541 -0.248 18182 6787 1 11 . 1 1 64 64 VAL CB C 722 32.546 32.546 31.864 0.682 18182 6788 1 11 . 1 1 64 64 VAL H H 722 8.441 8.441 8.613 -0.172 18182 6789 1 11 . 1 1 65 65 VAL N N 723 126.508 126.508 127.155 -0.647 18182 6790 1 11 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.301 -0.019 18182 6791 1 11 . 1 1 65 65 VAL C C 723 174.127 174.127 174.494 -0.367 18182 6792 1 11 . 1 1 65 65 VAL CA C 723 61.600 61.600 61.041 0.559 18182 6793 1 11 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.528 0.189 18182 6794 1 11 . 1 1 65 65 VAL H H 723 8.462 8.462 8.070 0.392 18182 6795 1 11 . 1 1 66 66 GLU N N 724 126.016 126.016 127.682 -1.666 18182 6796 1 11 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.999 0.227 18182 6797 1 11 . 1 1 66 66 GLU C C 724 175.409 175.409 175.213 0.196 18182 6798 1 11 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.985 -0.234 18182 6799 1 11 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.817 0.640 18182 6800 1 11 . 1 1 66 66 GLU H H 724 8.619 8.619 8.631 -0.012 18182 6801 1 11 . 1 1 67 67 LYS N N 725 125.813 125.813 124.404 1.409 18182 6802 1 11 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.531 -0.034 18182 6803 1 11 . 1 1 67 67 LYS C C 725 175.635 175.635 175.533 0.102 18182 6804 1 11 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.556 0.867 18182 6805 1 11 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.082 0.216 18182 6806 1 11 . 1 1 67 67 LYS H H 725 8.740 8.740 8.181 0.559 18182 6807 1 11 . 1 1 68 68 ASP N N 726 126.958 126.958 122.606 4.352 18182 6808 1 11 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.326 -0.095 18182 6809 1 11 . 1 1 68 68 ASP C C 726 174.341 174.341 174.905 -0.564 18182 6810 1 11 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.224 1.029 18182 6811 1 11 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.741 -0.242 18182 6812 1 11 . 1 1 68 68 ASP H H 726 9.499 9.499 8.752 0.747 18182 6813 1 11 . 1 1 69 69 ASN N N 727 110.214 110.214 112.249 -2.035 18182 6814 1 11 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.105 0.160 18182 6815 1 11 . 1 1 69 69 ASN C C 727 173.779 173.779 173.331 0.448 18182 6816 1 11 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.588 0.101 18182 6817 1 11 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.760 -0.272 18182 6818 1 11 . 1 1 69 69 ASN H H 727 8.348 8.348 8.552 -0.204 18182 6819 1 11 . 1 1 70 70 TRP N N 728 119.007 119.007 115.290 3.717 18182 6820 1 11 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.102 0.288 18182 6821 1 11 . 1 1 70 70 TRP C C 728 174.779 174.779 174.759 0.020 18182 6822 1 11 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.391 1.435 18182 6823 1 11 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.385 1.170 18182 6824 1 11 . 1 1 70 70 TRP H H 728 8.063 8.063 7.391 0.672 18182 6825 1 11 . 1 1 71 71 ILE N N 729 122.016 122.016 121.583 0.433 18182 6826 1 11 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.519 1.081 18182 6827 1 11 . 1 1 71 71 ILE C C 729 175.184 175.184 174.088 1.096 18182 6828 1 11 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.644 -0.790 18182 6829 1 11 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.713 0.883 18182 6830 1 11 . 1 1 71 71 ILE H H 729 9.378 9.378 9.302 0.076 18182 6831 1 11 . 1 1 72 72 HIS N N 730 121.306 121.306 122.948 -1.642 18182 6832 1 11 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.098 0.120 18182 6833 1 11 . 1 1 72 72 HIS C C 730 173.714 173.714 174.309 -0.595 18182 6834 1 11 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.745 0.897 18182 6835 1 11 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.582 0.923 18182 6836 1 11 . 1 1 72 72 HIS H H 730 9.048 9.048 8.173 0.875 18182 6837 1 11 . 1 1 73 73 ILE N N 731 112.643 112.643 116.535 -3.892 18182 6838 1 11 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.472 0.465 18182 6839 1 11 . 1 1 73 73 ILE C C 731 175.442 175.442 175.730 -0.288 18182 6840 1 11 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.347 0.331 18182 6841 1 11 . 1 1 73 73 ILE CB C 731 39.406 39.406 38.830 0.576 18182 6842 1 11 . 1 1 73 73 ILE H H 731 9.499 9.499 8.407 1.092 18182 6843 1 11 . 1 1 74 74 THR N N 732 115.752 115.752 110.264 5.488 18182 6844 1 11 . 1 1 74 74 THR HA H 732 4.812 4.812 4.586 0.226 18182 6845 1 11 . 1 1 74 74 THR C C 732 173.575 173.575 173.969 -0.394 18182 6846 1 11 . 1 1 74 74 THR CA C 732 58.650 58.650 59.741 -1.091 18182 6847 1 11 . 1 1 74 74 THR CB C 732 70.177 70.177 71.989 -1.812 18182 6848 1 11 . 1 1 74 74 THR H H 732 8.364 8.364 7.687 0.677 18182 6849 1 11 . 1 1 75 75 GLU N N 733 124.910 124.910 118.692 6.218 18182 6850 1 11 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.376 -1.403 18182 6851 1 11 . 1 1 75 75 GLU C C 733 175.609 175.609 175.441 0.168 18182 6852 1 11 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.235 2.427 18182 6853 1 11 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.610 0.353 18182 6854 1 11 . 1 1 75 75 GLU H H 733 8.754 8.754 8.846 -0.092 18182 6855 1 11 . 1 1 76 76 ALA N N 734 117.847 117.847 122.647 -4.800 18182 6856 1 11 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.426 -0.486 18182 6857 1 11 . 1 1 76 76 ALA C C 734 177.033 177.033 177.658 -0.625 18182 6858 1 11 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.722 0.452 18182 6859 1 11 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.556 -1.063 18182 6860 1 11 . 1 1 76 76 ALA H H 734 7.538 7.538 7.712 -0.174 18182 6861 1 11 . 1 1 77 77 LYS N N 735 119.518 119.518 120.108 -0.590 18182 6862 1 11 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.385 -0.274 18182 6863 1 11 . 1 1 77 77 LYS C C 735 171.953 171.953 174.866 -2.913 18182 6864 1 11 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.179 -0.480 18182 6865 1 11 . 1 1 77 77 LYS CB C 735 33.285 33.285 34.099 -0.814 18182 6866 1 11 . 1 1 77 77 LYS H H 735 7.326 7.326 8.113 -0.787 18182 6867 1 11 . 1 1 78 78 LYS N N 736 123.200 123.200 119.738 3.462 18182 6868 1 11 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.509 0.222 18182 6869 1 11 . 1 1 78 78 LYS C C 736 175.123 175.123 175.207 -0.084 18182 6870 1 11 . 1 1 78 78 LYS CA C 736 55.110 55.110 55.214 -0.104 18182 6871 1 11 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.690 0.280 18182 6872 1 11 . 1 1 78 78 LYS H H 736 7.893 7.893 7.856 0.037 18182 6873 1 11 . 1 1 79 79 PHE N N 737 117.916 117.916 119.516 -1.600 18182 6874 1 11 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.780 0.214 18182 6875 1 11 . 1 1 79 79 PHE C C 737 175.595 175.595 175.567 0.028 18182 6876 1 11 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.713 0.228 18182 6877 1 11 . 1 1 79 79 PHE CB C 737 43.413 43.413 43.028 0.385 18182 6878 1 11 . 1 1 79 79 PHE H H 737 9.121 9.121 8.981 0.140 18182 6879 1 11 . 1 1 80 80 ASP N N 738 119.341 119.341 118.723 0.618 18182 6880 1 11 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.081 -0.332 18182 6881 1 11 . 1 1 80 80 ASP C C 738 176.035 176.035 175.848 0.187 18182 6882 1 11 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.923 -0.211 18182 6883 1 11 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.709 -0.000 18182 6884 1 11 . 1 1 80 80 ASP H H 738 9.377 9.377 8.827 0.550 18182 6885 1 11 . 1 1 81 81 SER N N 739 108.518 108.518 109.884 -1.366 18182 6886 1 11 . 1 1 81 81 SER HA H 739 4.694 4.694 4.549 0.145 18182 6887 1 11 . 1 1 81 81 SER C C 739 173.791 173.791 174.260 -0.469 18182 6888 1 11 . 1 1 81 81 SER CA C 739 57.049 57.049 57.213 -0.164 18182 6889 1 11 . 1 1 81 81 SER CB C 739 66.839 66.839 65.798 1.041 18182 6890 1 11 . 1 1 81 81 SER H H 739 7.447 7.447 7.376 0.071 18182 6891 1 11 . 1 1 82 82 LEU N N 740 122.626 122.626 123.314 -0.688 18182 6892 1 11 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.055 -0.244 18182 6893 1 11 . 1 1 82 82 LEU C C 740 177.172 177.172 178.153 -0.981 18182 6894 1 11 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.515 -1.046 18182 6895 1 11 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.157 -1.338 18182 6896 1 11 . 1 1 82 82 LEU H H 740 8.969 8.969 8.642 0.327 18182 6897 1 11 . 1 1 83 83 LEU N N 741 116.575 116.575 118.603 -2.028 18182 6898 1 11 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.976 -0.139 18182 6899 1 11 . 1 1 83 83 LEU C C 741 177.492 177.492 178.740 -1.248 18182 6900 1 11 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.289 -0.025 18182 6901 1 11 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.878 0.051 18182 6902 1 11 . 1 1 83 83 LEU H H 741 7.770 7.770 8.099 -0.329 18182 6903 1 11 . 1 1 84 84 GLU N N 742 116.865 116.865 118.997 -2.132 18182 6904 1 11 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.451 -0.533 18182 6905 1 11 . 1 1 84 84 GLU C C 742 178.252 178.252 179.287 -1.035 18182 6906 1 11 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.745 -0.354 18182 6907 1 11 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.353 1.106 18182 6908 1 11 . 1 1 84 84 GLU H H 742 7.585 7.585 7.965 -0.380 18182 6909 1 11 . 1 1 85 85 LEU N N 743 122.164 122.164 120.692 1.472 18182 6910 1 11 . 1 1 85 85 LEU HA H 743 2.028 2.028 3.290 -1.262 18182 6911 1 11 . 1 1 85 85 LEU C C 743 177.335 177.335 178.248 -0.913 18182 6912 1 11 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.536 1.234 18182 6913 1 11 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.547 0.280 18182 6914 1 11 . 1 1 85 85 LEU H H 743 7.109 7.109 7.311 -0.202 18182 6915 1 11 . 1 1 86 86 VAL N N 744 119.760 119.760 119.056 0.704 18182 6916 1 11 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.205 -0.352 18182 6917 1 11 . 1 1 86 86 VAL C C 744 177.675 177.675 177.660 0.015 18182 6918 1 11 . 1 1 86 86 VAL CA C 744 67.113 67.113 67.114 -0.001 18182 6919 1 11 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.371 -0.260 18182 6920 1 11 . 1 1 86 86 VAL H H 744 8.113 8.113 8.389 -0.276 18182 6921 1 11 . 1 1 87 87 GLU N N 745 116.227 116.227 119.009 -2.782 18182 6922 1 11 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.842 -0.080 18182 6923 1 11 . 1 1 87 87 GLU C C 745 179.530 179.530 178.809 0.721 18182 6924 1 11 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.498 -0.060 18182 6925 1 11 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.108 0.044 18182 6926 1 11 . 1 1 87 87 GLU H H 745 8.182 8.182 8.311 -0.129 18182 6927 1 11 . 1 1 88 88 TYR N N 746 120.102 120.102 120.092 0.010 18182 6928 1 11 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.032 0.115 18182 6929 1 11 . 1 1 88 88 TYR C C 746 179.970 179.970 178.330 1.640 18182 6930 1 11 . 1 1 88 88 TYR CA C 746 62.730 62.730 61.417 1.313 18182 6931 1 11 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.502 0.386 18182 6932 1 11 . 1 1 88 88 TYR H H 746 7.795 7.795 7.974 -0.179 18182 6933 1 11 . 1 1 89 89 TYR N N 747 118.508 118.508 117.032 1.476 18182 6934 1 11 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.478 0.623 18182 6935 1 11 . 1 1 89 89 TYR C C 747 175.885 175.885 178.409 -2.524 18182 6936 1 11 . 1 1 89 89 TYR CA C 747 61.177 61.177 60.899 0.278 18182 6937 1 11 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.919 -0.875 18182 6938 1 11 . 1 1 89 89 TYR H H 747 7.798 7.798 8.327 -0.529 18182 6939 1 11 . 1 1 90 90 GLN N N 748 118.741 118.741 117.196 1.545 18182 6940 1 11 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.854 0.566 18182 6941 1 11 . 1 1 90 90 GLN C C 748 177.767 177.767 176.558 1.209 18182 6942 1 11 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.541 -0.670 18182 6943 1 11 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.745 -0.072 18182 6944 1 11 . 1 1 90 90 GLN H H 748 7.925 7.925 8.033 -0.108 18182 6945 1 11 . 1 1 91 91 CYS N N 749 111.312 111.312 114.339 -3.027 18182 6946 1 11 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.358 0.283 18182 6947 1 11 . 1 1 91 91 CYS C C 749 173.010 173.010 175.267 -2.257 18182 6948 1 11 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.846 -2.311 18182 6949 1 11 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.622 -0.443 18182 6950 1 11 . 1 1 91 91 CYS H H 749 7.178 7.178 7.254 -0.076 18182 6951 1 11 . 1 1 92 92 HIS N N 750 120.386 120.386 119.285 1.101 18182 6952 1 11 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.514 -0.146 18182 6953 1 11 . 1 1 92 92 HIS C C 750 171.815 171.815 174.472 -2.657 18182 6954 1 11 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.598 0.570 18182 6955 1 11 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.867 -1.561 18182 6956 1 11 . 1 1 92 92 HIS H H 750 7.540 7.540 7.531 0.009 18182 6957 1 11 . 1 1 93 93 SER N N 751 113.259 113.259 117.102 -3.843 18182 6958 1 11 . 1 1 93 93 SER HA H 751 3.812 3.812 4.155 -0.343 18182 6959 1 11 . 1 1 93 93 SER C C 751 176.644 176.644 175.539 1.105 18182 6960 1 11 . 1 1 93 93 SER CA C 751 58.040 58.040 59.166 -1.126 18182 6961 1 11 . 1 1 93 93 SER CB C 751 62.954 62.954 64.006 -1.052 18182 6962 1 11 . 1 1 93 93 SER H H 751 8.397 8.397 8.780 -0.383 18182 6963 1 11 . 1 1 94 94 LEU N N 752 127.166 127.166 123.499 3.667 18182 6964 1 11 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.407 -0.267 18182 6965 1 11 . 1 1 94 94 LEU C C 752 177.462 177.462 177.773 -0.311 18182 6966 1 11 . 1 1 94 94 LEU CA C 752 58.300 58.300 55.809 2.491 18182 6967 1 11 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.501 0.831 18182 6968 1 11 . 1 1 94 94 LEU H H 752 8.580 8.580 8.821 -0.241 18182 6969 1 11 . 1 1 95 95 LYS N N 753 122.119 122.119 118.258 3.861 18182 6970 1 11 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.585 -0.145 18182 6971 1 11 . 1 1 95 95 LYS C C 753 176.253 176.253 178.232 -1.979 18182 6972 1 11 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.117 -0.888 18182 6973 1 11 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.631 0.713 18182 6974 1 11 . 1 1 95 95 LYS H H 753 8.322 8.322 8.128 0.194 18182 6975 1 11 . 1 1 96 96 GLU N N 754 115.310 115.310 119.737 -4.427 18182 6976 1 11 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.031 0.106 18182 6977 1 11 . 1 1 96 96 GLU C C 754 176.704 176.704 177.962 -1.258 18182 6978 1 11 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.735 -0.246 18182 6979 1 11 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.171 0.506 18182 6980 1 11 . 1 1 96 96 GLU H H 754 7.197 7.197 8.013 -0.816 18182 6981 1 11 . 1 1 97 97 SER N N 755 113.390 113.390 113.560 -0.170 18182 6982 1 11 . 1 1 97 97 SER HA H 755 4.583 4.583 4.307 0.276 18182 6983 1 11 . 1 1 97 97 SER C C 755 171.185 171.185 174.370 -3.185 18182 6984 1 11 . 1 1 97 97 SER CA C 755 59.569 59.569 60.380 -0.811 18182 6985 1 11 . 1 1 97 97 SER CB C 755 66.435 66.435 64.106 2.329 18182 6986 1 11 . 1 1 97 97 SER H H 755 7.857 7.857 8.252 -0.395 18182 6987 1 11 . 1 1 98 98 PHE N N 756 121.328 121.328 121.025 0.303 18182 6988 1 11 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.785 -0.020 18182 6989 1 11 . 1 1 98 98 PHE C C 756 175.774 175.774 175.604 0.170 18182 6990 1 11 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.367 0.504 18182 6991 1 11 . 1 1 98 98 PHE CB C 756 39.711 39.711 39.379 0.332 18182 6992 1 11 . 1 1 98 98 PHE H H 756 8.409 8.409 7.848 0.561 18182 6993 1 11 . 1 1 99 99 LYS N N 757 121.656 121.656 125.308 -3.652 18182 6994 1 11 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.163 -0.050 18182 6995 1 11 . 1 1 99 99 LYS C C 757 177.188 177.188 177.515 -0.327 18182 6996 1 11 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.089 0.647 18182 6997 1 11 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.197 0.159 18182 6998 1 11 . 1 1 99 99 LYS H H 757 8.602 8.602 8.761 -0.159 18182 6999 1 11 . 1 1 100 100 GLN N N 758 115.783 115.783 118.087 -2.304 18182 7000 1 11 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.253 0.130 18182 7001 1 11 . 1 1 100 100 GLN C C 758 175.849 175.849 176.229 -0.380 18182 7002 1 11 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.478 -1.646 18182 7003 1 11 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.992 -0.675 18182 7004 1 11 . 1 1 100 100 GLN H H 758 9.139 9.139 8.448 0.691 18182 7005 1 11 . 1 1 101 101 LEU N N 759 124.876 124.876 118.167 6.709 18182 7006 1 11 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.592 -0.900 18182 7007 1 11 . 1 1 101 101 LEU C C 759 173.219 173.219 175.540 -2.321 18182 7008 1 11 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.607 -2.159 18182 7009 1 11 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.575 -1.587 18182 7010 1 11 . 1 1 101 101 LEU H H 759 7.924 7.924 7.577 0.347 18182 7011 1 11 . 1 1 102 102 ASP N N 760 119.263 119.263 117.377 1.886 18182 7012 1 11 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.679 -0.112 18182 7013 1 11 . 1 1 102 102 ASP C C 760 173.570 173.570 174.380 -0.810 18182 7014 1 11 . 1 1 102 102 ASP CA C 760 51.875 51.875 54.075 -2.200 18182 7015 1 11 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.413 -2.384 18182 7016 1 11 . 1 1 102 102 ASP H H 760 6.564 6.564 7.584 -1.020 18182 7017 1 11 . 1 1 103 103 THR N N 761 117.311 117.311 113.549 3.762 18182 7018 1 11 . 1 1 103 103 THR HA H 761 4.701 4.701 4.430 0.271 18182 7019 1 11 . 1 1 103 103 THR C C 761 172.169 172.169 172.543 -0.374 18182 7020 1 11 . 1 1 103 103 THR CA C 761 60.491 60.491 60.545 -0.054 18182 7021 1 11 . 1 1 103 103 THR CB C 761 69.358 69.358 70.058 -0.700 18182 7022 1 11 . 1 1 103 103 THR H H 761 7.699 7.699 7.567 0.132 18182 7023 1 11 . 1 1 104 104 THR N N 762 114.211 114.211 113.725 0.486 18182 7024 1 11 . 1 1 104 104 THR HA H 762 4.603 4.603 4.534 0.069 18182 7025 1 11 . 1 1 104 104 THR C C 762 175.647 175.647 173.356 2.291 18182 7026 1 11 . 1 1 104 104 THR CA C 762 60.899 60.899 60.419 0.480 18182 7027 1 11 . 1 1 104 104 THR CB C 762 70.981 70.981 71.435 -0.454 18182 7028 1 11 . 1 1 104 104 THR H H 762 7.300 7.300 8.121 -0.821 18182 7029 1 11 . 1 1 105 105 LEU N N 763 117.640 117.640 122.321 -4.681 18182 7030 1 11 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.741 -0.218 18182 7031 1 11 . 1 1 105 105 LEU C C 763 174.500 174.500 176.471 -1.971 18182 7032 1 11 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.190 -1.035 18182 7033 1 11 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.554 -3.807 18182 7034 1 11 . 1 1 105 105 LEU H H 763 8.113 8.113 8.568 -0.455 18182 7035 1 11 . 1 1 106 106 LYS N N 764 127.345 127.345 125.852 1.493 18182 7036 1 11 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.116 -0.105 18182 7037 1 11 . 1 1 106 106 LYS C C 764 176.781 176.781 176.456 0.325 18182 7038 1 11 . 1 1 106 106 LYS CA C 764 59.888 59.888 57.035 2.853 18182 7039 1 11 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.266 0.957 18182 7040 1 11 . 1 1 106 106 LYS H H 764 7.181 7.181 7.924 -0.743 18182 7041 1 11 . 1 1 107 107 TYR N N 765 115.756 115.756 116.904 -1.148 18182 7042 1 11 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.906 0.615 18182 7043 1 11 . 1 1 107 107 TYR C C 765 172.106 172.106 172.683 -0.577 18182 7044 1 11 . 1 1 107 107 TYR CA C 765 52.621 52.621 54.948 -2.327 18182 7045 1 11 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.780 1.738 18182 7046 1 11 . 1 1 107 107 TYR H H 765 7.877 7.877 7.602 0.275 18182 7047 1 11 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.051 -0.378 18182 7048 1 11 . 1 1 108 108 PRO C C 766 180.696 180.696 176.600 4.096 18182 7049 1 11 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.864 0.747 18182 7050 1 11 . 1 1 109 109 TYR N N 767 122.570 122.570 113.912 8.658 18182 7051 1 11 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.127 -0.310 18182 7052 1 11 . 1 1 109 109 TYR C C 767 174.769 174.769 176.956 -2.187 18182 7053 1 11 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.370 0.813 18182 7054 1 11 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.591 -0.124 18182 7055 1 11 . 1 1 109 109 TYR H H 767 8.341 8.341 8.082 0.259 18182 7056 1 11 . 1 1 110 110 LYS N N 768 118.398 118.398 118.423 -0.025 18182 7057 1 11 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.074 -0.132 18182 7058 1 11 . 1 1 110 110 LYS C C 768 176.453 176.453 176.855 -0.402 18182 7059 1 11 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.054 -0.153 18182 7060 1 11 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.377 0.205 18182 7061 1 11 . 1 1 110 110 LYS H H 768 6.790 6.790 7.245 -0.455 18182 7062 1 11 . 1 1 111 111 SER N N 769 114.260 114.260 110.660 3.600 18182 7063 1 11 . 1 1 111 111 SER HA H 769 4.384 4.384 4.081 0.303 18182 7064 1 11 . 1 1 111 111 SER C C 769 174.124 174.124 173.403 0.721 18182 7065 1 11 . 1 1 111 111 SER CA C 769 58.802 58.802 58.555 0.247 18182 7066 1 11 . 1 1 111 111 SER CB C 769 64.206 64.206 62.858 1.347 18182 7067 1 11 . 1 1 111 111 SER H H 769 7.769 7.769 8.296 -0.527 18182 7068 1 11 . 1 1 112 112 ARG N N 770 122.485 122.485 121.857 0.628 18182 7069 1 11 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.589 -0.211 18182 7070 1 11 . 1 1 112 112 ARG C C 770 175.139 175.139 175.227 -0.088 18182 7071 1 11 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.764 -0.136 18182 7072 1 11 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.412 0.523 18182 7073 1 11 . 1 1 112 112 ARG H H 770 8.109 8.109 7.928 0.181 18182 7074 1 12 . 1 1 2 2 ARG N N 660 123.565 123.565 121.493 2.072 18182 7075 1 12 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.335 0.295 18182 7076 1 12 . 1 1 2 2 ARG C C 660 173.529 173.529 174.921 -1.392 18182 7077 1 12 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.994 -3.125 18182 7078 1 12 . 1 1 2 2 ARG CB C 660 30.428 30.428 28.985 1.443 18182 7079 1 12 . 1 1 2 2 ARG H H 660 8.295 8.295 8.448 -0.153 18182 7080 1 12 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.504 0.168 18182 7081 1 12 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.481 -0.069 18182 7082 1 12 . 1 1 4 4 PRO C C 662 177.096 177.096 177.501 -0.405 18182 7083 1 12 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.868 0.428 18182 7084 1 12 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.350 -0.328 18182 7085 1 12 . 1 1 5 5 SER N N 663 116.025 116.025 118.139 -2.114 18182 7086 1 12 . 1 1 5 5 SER HA H 663 4.374 4.374 4.438 -0.064 18182 7087 1 12 . 1 1 5 5 SER C C 663 174.815 174.815 174.913 -0.098 18182 7088 1 12 . 1 1 5 5 SER CA C 663 58.797 58.797 58.671 0.126 18182 7089 1 12 . 1 1 5 5 SER CB C 663 64.024 64.024 64.087 -0.063 18182 7090 1 12 . 1 1 5 5 SER H H 663 8.406 8.406 8.479 -0.073 18182 7091 1 12 . 1 1 6 6 ARG N N 664 122.062 122.062 122.647 -0.585 18182 7092 1 12 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.533 -0.154 18182 7093 1 12 . 1 1 6 6 ARG C C 664 175.958 175.958 175.227 0.731 18182 7094 1 12 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.202 -0.066 18182 7095 1 12 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.438 -0.726 18182 7096 1 12 . 1 1 6 6 ARG H H 664 8.371 8.371 8.614 -0.243 18182 7097 1 12 . 1 1 7 7 GLU N N 665 122.160 122.160 125.793 -3.633 18182 7098 1 12 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.390 -0.077 18182 7099 1 12 . 1 1 7 7 GLU C C 665 175.842 175.842 175.680 0.162 18182 7100 1 12 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.267 0.143 18182 7101 1 12 . 1 1 7 7 GLU CB C 665 29.972 29.972 28.445 1.527 18182 7102 1 12 . 1 1 7 7 GLU H H 665 8.352 8.352 8.759 -0.407 18182 7103 1 12 . 1 1 8 8 ILE N N 666 123.828 123.828 122.383 1.445 18182 7104 1 12 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.138 -0.298 18182 7105 1 12 . 1 1 8 8 ILE C C 666 174.373 174.373 176.056 -1.683 18182 7106 1 12 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.239 -0.312 18182 7107 1 12 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.004 0.537 18182 7108 1 12 . 1 1 8 8 ILE H H 666 7.938 7.938 7.749 0.189 18182 7109 1 12 . 1 1 9 9 ASP N N 667 124.338 124.338 127.319 -2.981 18182 7110 1 12 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.746 -0.127 18182 7111 1 12 . 1 1 9 9 ASP C C 667 177.006 177.006 176.595 0.411 18182 7112 1 12 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.319 -1.267 18182 7113 1 12 . 1 1 9 9 ASP CB C 667 40.364 40.364 40.561 -0.197 18182 7114 1 12 . 1 1 9 9 ASP H H 667 8.111 8.111 8.804 -0.693 18182 7115 1 12 . 1 1 10 10 TYR N N 668 125.199 125.199 124.508 0.691 18182 7116 1 12 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.283 -0.095 18182 7117 1 12 . 1 1 10 10 TYR C C 668 175.947 175.947 177.086 -1.139 18182 7118 1 12 . 1 1 10 10 TYR CA C 668 60.683 60.683 59.889 0.794 18182 7119 1 12 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.974 -1.738 18182 7120 1 12 . 1 1 10 10 TYR H H 668 8.495 8.495 8.283 0.212 18182 7121 1 12 . 1 1 11 11 THR N N 669 108.617 108.617 111.443 -2.826 18182 7122 1 12 . 1 1 11 11 THR HA H 669 4.148 4.148 3.348 0.800 18182 7123 1 12 . 1 1 11 11 THR C C 669 175.184 175.184 175.141 0.043 18182 7124 1 12 . 1 1 11 11 THR CA C 669 65.022 65.022 64.386 0.636 18182 7125 1 12 . 1 1 11 11 THR CB C 669 69.280 69.280 67.966 1.314 18182 7126 1 12 . 1 1 11 11 THR H H 669 8.011 8.011 7.813 0.198 18182 7127 1 12 . 1 1 12 12 ALA N N 670 121.275 121.275 123.711 -2.436 18182 7128 1 12 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.125 -0.049 18182 7129 1 12 . 1 1 12 12 ALA C C 670 177.815 177.815 177.556 0.259 18182 7130 1 12 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.831 -0.275 18182 7131 1 12 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.873 0.001 18182 7132 1 12 . 1 1 12 12 ALA H H 670 7.411 7.411 7.155 0.256 18182 7133 1 12 . 1 1 13 13 TYR N N 671 117.883 117.883 118.442 -0.559 18182 7134 1 12 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.147 0.154 18182 7135 1 12 . 1 1 13 13 TYR C C 671 176.698 176.698 174.844 1.854 18182 7136 1 12 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.902 0.084 18182 7137 1 12 . 1 1 13 13 TYR CB C 671 36.815 36.815 36.725 0.090 18182 7138 1 12 . 1 1 13 13 TYR H H 671 7.538 7.538 7.388 0.150 18182 7139 1 12 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.057 0.299 18182 7140 1 12 . 1 1 14 14 PRO C C 672 173.452 173.452 176.192 -2.740 18182 7141 1 12 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.420 -0.097 18182 7142 1 12 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.674 -0.451 18182 7143 1 12 . 1 1 15 15 TRP N N 673 110.044 110.044 111.365 -1.321 18182 7144 1 12 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.772 0.020 18182 7145 1 12 . 1 1 15 15 TRP C C 673 175.577 175.577 174.326 1.251 18182 7146 1 12 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.666 -1.509 18182 7147 1 12 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.825 3.549 18182 7148 1 12 . 1 1 15 15 TRP H H 673 6.229 6.229 7.158 -0.929 18182 7149 1 12 . 1 1 16 16 PHE N N 674 123.205 123.205 122.816 0.389 18182 7150 1 12 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.859 0.312 18182 7151 1 12 . 1 1 16 16 PHE C C 674 174.832 174.832 174.046 0.786 18182 7152 1 12 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.775 3.097 18182 7153 1 12 . 1 1 16 16 PHE CB C 674 40.208 40.208 40.602 -0.394 18182 7154 1 12 . 1 1 16 16 PHE H H 674 7.625 7.625 7.797 -0.172 18182 7155 1 12 . 1 1 17 17 ALA N N 675 130.669 130.669 131.251 -0.582 18182 7156 1 12 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.881 0.067 18182 7157 1 12 . 1 1 17 17 ALA C C 675 177.266 177.266 176.371 0.895 18182 7158 1 12 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.668 0.600 18182 7159 1 12 . 1 1 17 17 ALA CB C 675 22.428 22.428 20.274 2.154 18182 7160 1 12 . 1 1 17 17 ALA H H 675 9.097 9.097 8.904 0.193 18182 7161 1 12 . 1 1 18 18 GLY C C 676 174.230 174.230 174.034 0.196 18182 7162 1 12 . 1 1 18 18 GLY CA C 676 46.930 46.930 45.059 1.871 18182 7163 1 12 . 1 1 19 19 ASN N N 677 124.910 124.910 119.550 5.360 18182 7164 1 12 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.326 0.568 18182 7165 1 12 . 1 1 19 19 ASN C C 677 174.597 174.597 173.961 0.636 18182 7166 1 12 . 1 1 19 19 ASN CA C 677 52.942 52.942 54.428 -1.486 18182 7167 1 12 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.087 -1.128 18182 7168 1 12 . 1 1 19 19 ASN H H 677 8.682 8.682 8.646 0.036 18182 7169 1 12 . 1 1 20 20 MET N N 678 122.347 122.347 122.746 -0.399 18182 7170 1 12 . 1 1 20 20 MET HA H 678 4.115 4.115 4.754 -0.639 18182 7171 1 12 . 1 1 20 20 MET C C 678 175.451 175.451 174.132 1.319 18182 7172 1 12 . 1 1 20 20 MET CA C 678 56.675 56.675 54.591 2.084 18182 7173 1 12 . 1 1 20 20 MET CB C 678 35.208 35.208 37.153 -1.944 18182 7174 1 12 . 1 1 20 20 MET H H 678 7.006 7.006 8.384 -1.378 18182 7175 1 12 . 1 1 21 21 GLU N N 679 124.989 124.989 120.954 4.035 18182 7176 1 12 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.613 -0.322 18182 7177 1 12 . 1 1 21 21 GLU C C 679 178.232 178.232 176.932 1.300 18182 7178 1 12 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.338 0.789 18182 7179 1 12 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.127 -0.195 18182 7180 1 12 . 1 1 21 21 GLU H H 679 8.761 8.761 8.543 0.218 18182 7181 1 12 . 1 1 22 22 ARG N N 680 125.521 125.521 122.317 3.204 18182 7182 1 12 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.133 -0.797 18182 7183 1 12 . 1 1 22 22 ARG C C 680 177.707 177.707 178.684 -0.977 18182 7184 1 12 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.754 1.290 18182 7185 1 12 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.843 0.214 18182 7186 1 12 . 1 1 22 22 ARG H H 680 9.406 9.406 8.842 0.564 18182 7187 1 12 . 1 1 23 23 GLN N N 681 117.320 117.320 118.134 -0.814 18182 7188 1 12 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.050 0.015 18182 7189 1 12 . 1 1 23 23 GLN C C 681 178.317 178.317 178.129 0.188 18182 7190 1 12 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.706 1.045 18182 7191 1 12 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.596 0.188 18182 7192 1 12 . 1 1 23 23 GLN H H 681 9.048 9.048 8.731 0.317 18182 7193 1 12 . 1 1 24 24 GLN N N 682 117.909 117.909 119.875 -1.966 18182 7194 1 12 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.000 0.121 18182 7195 1 12 . 1 1 24 24 GLN C C 682 178.190 178.190 178.448 -0.258 18182 7196 1 12 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.481 -0.738 18182 7197 1 12 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.634 -0.320 18182 7198 1 12 . 1 1 24 24 GLN H H 682 7.182 7.182 8.395 -1.213 18182 7199 1 12 . 1 1 25 25 THR N N 683 117.007 117.007 115.696 1.311 18182 7200 1 12 . 1 1 25 25 THR HA H 683 3.681 3.681 3.928 -0.247 18182 7201 1 12 . 1 1 25 25 THR C C 683 175.786 175.786 176.668 -0.882 18182 7202 1 12 . 1 1 25 25 THR CA C 683 67.702 67.702 67.301 0.401 18182 7203 1 12 . 1 1 25 25 THR CB C 683 68.000 68.000 68.469 -0.469 18182 7204 1 12 . 1 1 25 25 THR H H 683 7.903 7.903 7.915 -0.012 18182 7205 1 12 . 1 1 26 26 ASP N N 684 122.824 122.824 121.317 1.507 18182 7206 1 12 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.466 -0.186 18182 7207 1 12 . 1 1 26 26 ASP C C 684 178.269 178.269 178.370 -0.101 18182 7208 1 12 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.207 0.929 18182 7209 1 12 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.763 -0.585 18182 7210 1 12 . 1 1 26 26 ASP H H 684 8.430 8.430 8.012 0.418 18182 7211 1 12 . 1 1 27 27 ASN N N 685 115.634 115.634 118.418 -2.784 18182 7212 1 12 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.521 -0.162 18182 7213 1 12 . 1 1 27 27 ASN C C 685 177.065 177.065 177.974 -0.909 18182 7214 1 12 . 1 1 27 27 ASN CA C 685 55.911 55.911 56.291 -0.380 18182 7215 1 12 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.819 -0.313 18182 7216 1 12 . 1 1 27 27 ASN H H 685 7.647 7.647 8.144 -0.497 18182 7217 1 12 . 1 1 28 28 LEU N N 686 120.594 120.594 120.561 0.033 18182 7218 1 12 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.204 0.025 18182 7219 1 12 . 1 1 28 28 LEU C C 686 179.502 179.502 177.918 1.584 18182 7220 1 12 . 1 1 28 28 LEU CA C 686 57.980 57.980 57.527 0.453 18182 7221 1 12 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.427 0.676 18182 7222 1 12 . 1 1 28 28 LEU H H 686 8.093 8.093 8.378 -0.285 18182 7223 1 12 . 1 1 29 29 LEU N N 687 115.149 115.149 116.710 -1.561 18182 7224 1 12 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.371 -0.289 18182 7225 1 12 . 1 1 29 29 LEU C C 687 178.910 178.910 178.722 0.188 18182 7226 1 12 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.388 0.529 18182 7227 1 12 . 1 1 29 29 LEU CB C 687 42.898 42.898 42.603 0.295 18182 7228 1 12 . 1 1 29 29 LEU H H 687 8.386 8.386 7.811 0.575 18182 7229 1 12 . 1 1 30 30 LYS N N 688 118.086 118.086 119.103 -1.017 18182 7230 1 12 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.113 -0.375 18182 7231 1 12 . 1 1 30 30 LYS C C 688 177.312 177.312 177.767 -0.455 18182 7232 1 12 . 1 1 30 30 LYS CA C 688 60.509 60.509 58.982 1.527 18182 7233 1 12 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.047 0.043 18182 7234 1 12 . 1 1 30 30 LYS H H 688 7.752 7.752 8.384 -0.632 18182 7235 1 12 . 1 1 31 31 SER N N 689 111.134 111.134 114.578 -3.444 18182 7236 1 12 . 1 1 31 31 SER HA H 689 4.460 4.460 4.599 -0.139 18182 7237 1 12 . 1 1 31 31 SER C C 689 174.501 174.501 173.553 0.948 18182 7238 1 12 . 1 1 31 31 SER CA C 689 58.559 58.559 58.693 -0.134 18182 7239 1 12 . 1 1 31 31 SER CB C 689 63.528 63.528 63.143 0.385 18182 7240 1 12 . 1 1 31 31 SER H H 689 7.629 7.629 8.125 -0.496 18182 7241 1 12 . 1 1 32 32 HIS N N 690 120.218 120.218 118.866 1.352 18182 7242 1 12 . 1 1 32 32 HIS HA H 690 4.656 4.656 5.027 -0.371 18182 7243 1 12 . 1 1 32 32 HIS C C 690 173.855 173.855 173.390 0.465 18182 7244 1 12 . 1 1 32 32 HIS CA C 690 56.219 56.219 55.511 0.708 18182 7245 1 12 . 1 1 32 32 HIS CB C 690 31.924 31.924 33.740 -1.816 18182 7246 1 12 . 1 1 32 32 HIS H H 690 7.701 7.701 7.791 -0.090 18182 7247 1 12 . 1 1 33 33 ALA N N 691 120.317 120.317 121.961 -1.644 18182 7248 1 12 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.824 -0.493 18182 7249 1 12 . 1 1 33 33 ALA C C 691 179.494 179.494 176.363 3.131 18182 7250 1 12 . 1 1 33 33 ALA CA C 691 51.850 51.850 50.955 0.895 18182 7251 1 12 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.784 -0.739 18182 7252 1 12 . 1 1 33 33 ALA H H 691 8.453 8.453 8.831 -0.378 18182 7253 1 12 . 1 1 34 34 SER N N 692 117.274 117.274 114.589 2.685 18182 7254 1 12 . 1 1 34 34 SER HA H 692 4.089 4.089 4.405 -0.316 18182 7255 1 12 . 1 1 34 34 SER C C 692 175.336 175.336 175.881 -0.545 18182 7256 1 12 . 1 1 34 34 SER CA C 692 60.531 60.531 59.111 1.420 18182 7257 1 12 . 1 1 34 34 SER CB C 692 63.308 63.308 63.168 0.140 18182 7258 1 12 . 1 1 34 34 SER H H 692 8.997 8.997 8.415 0.582 18182 7259 1 12 . 1 1 35 35 GLY N N 693 113.573 113.573 113.396 0.177 18182 7260 1 12 . 1 1 35 35 GLY C C 693 174.808 174.808 174.483 0.325 18182 7261 1 12 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.103 -0.244 18182 7262 1 12 . 1 1 35 35 GLY H H 693 9.926 9.926 9.016 0.910 18182 7263 1 12 . 1 1 36 36 THR N N 694 121.076 121.076 120.828 0.248 18182 7264 1 12 . 1 1 36 36 THR HA H 694 5.962 5.962 5.283 0.679 18182 7265 1 12 . 1 1 36 36 THR C C 694 173.297 173.297 173.881 -0.584 18182 7266 1 12 . 1 1 36 36 THR CA C 694 63.612 63.612 63.737 -0.125 18182 7267 1 12 . 1 1 36 36 THR CB C 694 68.317 68.317 68.972 -0.655 18182 7268 1 12 . 1 1 36 36 THR H H 694 8.291 8.291 7.450 0.841 18182 7269 1 12 . 1 1 37 37 TYR N N 695 123.616 123.616 122.344 1.272 18182 7270 1 12 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.781 0.260 18182 7271 1 12 . 1 1 37 37 TYR C C 695 171.831 171.831 173.131 -1.300 18182 7272 1 12 . 1 1 37 37 TYR CA C 695 55.305 55.305 55.042 0.263 18182 7273 1 12 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.993 2.366 18182 7274 1 12 . 1 1 37 37 TYR H H 695 8.805 8.805 8.977 -0.172 18182 7275 1 12 . 1 1 38 38 LEU N N 696 115.449 115.449 114.581 0.868 18182 7276 1 12 . 1 1 38 38 LEU HA H 696 5.159 5.159 4.940 0.219 18182 7277 1 12 . 1 1 38 38 LEU C C 696 174.331 174.331 174.535 -0.204 18182 7278 1 12 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.821 -0.964 18182 7279 1 12 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.986 0.907 18182 7280 1 12 . 1 1 38 38 LEU H H 696 9.105 9.105 8.252 0.853 18182 7281 1 12 . 1 1 39 39 ILE N N 697 121.911 121.911 119.944 1.967 18182 7282 1 12 . 1 1 39 39 ILE HA H 697 5.419 5.419 5.124 0.295 18182 7283 1 12 . 1 1 39 39 ILE C C 697 173.476 173.476 174.746 -1.270 18182 7284 1 12 . 1 1 39 39 ILE CA C 697 59.925 59.925 59.722 0.203 18182 7285 1 12 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.843 -1.913 18182 7286 1 12 . 1 1 39 39 ILE H H 697 9.313 9.313 8.151 1.162 18182 7287 1 12 . 1 1 40 40 ARG N N 698 122.878 122.878 123.718 -0.840 18182 7288 1 12 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.495 -0.203 18182 7289 1 12 . 1 1 40 40 ARG C C 698 174.308 174.308 174.835 -0.527 18182 7290 1 12 . 1 1 40 40 ARG CA C 698 51.744 51.744 52.857 -1.113 18182 7291 1 12 . 1 1 40 40 ARG CB C 698 33.517 33.517 34.269 -0.752 18182 7292 1 12 . 1 1 40 40 ARG H H 698 9.185 9.185 9.353 -0.168 18182 7293 1 12 . 1 1 41 41 GLU N N 699 122.405 122.405 121.278 1.127 18182 7294 1 12 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.839 0.058 18182 7295 1 12 . 1 1 41 41 GLU C C 699 176.242 176.242 175.217 1.025 18182 7296 1 12 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.880 -0.354 18182 7297 1 12 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.535 -0.402 18182 7298 1 12 . 1 1 41 41 GLU H H 699 8.634 8.634 8.884 -0.250 18182 7299 1 12 . 1 1 42 42 ARG N N 700 125.045 125.045 124.097 0.948 18182 7300 1 12 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.685 0.009 18182 7301 1 12 . 1 1 42 42 ARG CB C 700 31.573 31.573 32.781 -1.208 18182 7302 1 12 . 1 1 42 42 ARG H H 700 8.639 8.639 8.081 0.558 18182 7303 1 12 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.396 0.018 18182 7304 1 12 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.205 0.206 18182 7305 1 12 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.496 -0.998 18182 7306 1 12 . 1 1 44 44 ALA N N 702 122.925 122.925 127.739 -4.814 18182 7307 1 12 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.520 -0.198 18182 7308 1 12 . 1 1 44 44 ALA C C 702 176.610 176.610 176.229 0.381 18182 7309 1 12 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.951 -0.149 18182 7310 1 12 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.737 -0.346 18182 7311 1 12 . 1 1 44 44 ALA H H 702 7.888 7.888 8.062 -0.174 18182 7312 1 12 . 1 1 45 45 GLU N N 703 118.799 118.799 119.875 -1.076 18182 7313 1 12 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.396 -0.159 18182 7314 1 12 . 1 1 45 45 GLU C C 703 176.717 176.717 177.867 -1.150 18182 7315 1 12 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.040 -0.139 18182 7316 1 12 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.850 0.236 18182 7317 1 12 . 1 1 45 45 GLU H H 703 7.947 7.947 8.869 -0.922 18182 7318 1 12 . 1 1 46 46 ALA N N 704 120.631 120.631 122.742 -2.111 18182 7319 1 12 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.206 0.209 18182 7320 1 12 . 1 1 46 46 ALA C C 704 178.411 178.411 176.981 1.430 18182 7321 1 12 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.830 0.378 18182 7322 1 12 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.070 0.173 18182 7323 1 12 . 1 1 46 46 ALA H H 704 8.643 8.643 8.041 0.602 18182 7324 1 12 . 1 1 47 47 GLU N N 705 119.341 119.341 118.333 1.008 18182 7325 1 12 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.918 -0.062 18182 7326 1 12 . 1 1 47 47 GLU C C 705 176.013 176.013 176.742 -0.729 18182 7327 1 12 . 1 1 47 47 GLU CA C 705 54.858 54.858 56.001 -1.143 18182 7328 1 12 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.116 -3.282 18182 7329 1 12 . 1 1 47 47 GLU H H 705 7.635 7.635 8.094 -0.459 18182 7330 1 12 . 1 1 48 48 ARG N N 706 120.355 120.355 125.565 -5.210 18182 7331 1 12 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.222 -0.257 18182 7332 1 12 . 1 1 48 48 ARG C C 706 175.117 175.117 175.051 0.066 18182 7333 1 12 . 1 1 48 48 ARG CA C 706 58.155 58.155 58.038 0.117 18182 7334 1 12 . 1 1 48 48 ARG CB C 706 31.691 31.691 32.279 -0.588 18182 7335 1 12 . 1 1 48 48 ARG H H 706 7.971 7.971 8.102 -0.131 18182 7336 1 12 . 1 1 49 49 PHE N N 707 112.251 112.251 114.443 -2.192 18182 7337 1 12 . 1 1 49 49 PHE HA H 707 5.905 5.905 5.028 0.877 18182 7338 1 12 . 1 1 49 49 PHE C C 707 173.875 173.875 173.492 0.383 18182 7339 1 12 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.643 -1.834 18182 7340 1 12 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.689 -0.614 18182 7341 1 12 . 1 1 49 49 PHE H H 707 7.857 7.857 7.393 0.464 18182 7342 1 12 . 1 1 50 50 ALA N N 708 118.730 118.730 122.139 -3.409 18182 7343 1 12 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.165 0.289 18182 7344 1 12 . 1 1 50 50 ALA C C 708 176.479 176.479 175.339 1.140 18182 7345 1 12 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.203 0.639 18182 7346 1 12 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.227 -0.509 18182 7347 1 12 . 1 1 50 50 ALA H H 708 9.205 9.205 9.387 -0.182 18182 7348 1 12 . 1 1 51 51 ILE N N 709 120.037 120.037 121.165 -1.128 18182 7349 1 12 . 1 1 51 51 ILE HA H 709 4.746 4.746 5.108 -0.362 18182 7350 1 12 . 1 1 51 51 ILE C C 709 175.120 175.120 175.195 -0.075 18182 7351 1 12 . 1 1 51 51 ILE CA C 709 60.723 60.723 59.539 1.184 18182 7352 1 12 . 1 1 51 51 ILE CB C 709 40.300 40.300 41.782 -1.482 18182 7353 1 12 . 1 1 51 51 ILE H H 709 9.262 9.262 9.058 0.204 18182 7354 1 12 . 1 1 52 52 SER N N 710 125.087 125.087 119.066 6.021 18182 7355 1 12 . 1 1 52 52 SER HA H 710 5.468 5.468 5.131 0.337 18182 7356 1 12 . 1 1 52 52 SER C C 710 172.060 172.060 172.681 -0.621 18182 7357 1 12 . 1 1 52 52 SER CA C 710 57.761 57.761 56.994 0.767 18182 7358 1 12 . 1 1 52 52 SER CB C 710 65.210 65.210 64.841 0.369 18182 7359 1 12 . 1 1 52 52 SER H H 710 9.205 9.205 8.882 0.323 18182 7360 1 12 . 1 1 53 53 ILE N N 711 121.753 121.753 126.661 -4.908 18182 7361 1 12 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.109 0.086 18182 7362 1 12 . 1 1 53 53 ILE C C 711 173.070 173.070 173.193 -0.123 18182 7363 1 12 . 1 1 53 53 ILE CA C 711 57.755 57.755 58.821 -1.066 18182 7364 1 12 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.735 0.622 18182 7365 1 12 . 1 1 53 53 ILE H H 711 8.989 8.989 8.410 0.579 18182 7366 1 12 . 1 1 54 54 LYS N N 712 128.758 128.758 127.559 1.199 18182 7367 1 12 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.021 -0.234 18182 7368 1 12 . 1 1 54 54 LYS C C 712 174.899 174.899 174.728 0.171 18182 7369 1 12 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.486 -0.118 18182 7370 1 12 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.237 -0.879 18182 7371 1 12 . 1 1 54 54 LYS H H 712 8.894 8.894 8.704 0.190 18182 7372 1 12 . 1 1 55 55 PHE N N 713 130.369 130.369 127.144 3.225 18182 7373 1 12 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.659 0.288 18182 7374 1 12 . 1 1 55 55 PHE C C 713 174.238 174.238 173.681 0.557 18182 7375 1 12 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.343 0.822 18182 7376 1 12 . 1 1 55 55 PHE CB C 713 41.804 41.804 41.795 0.009 18182 7377 1 12 . 1 1 55 55 PHE H H 713 9.464 9.464 8.435 1.029 18182 7378 1 12 . 1 1 56 56 ASN N N 714 125.719 125.719 124.473 1.246 18182 7379 1 12 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.139 -0.198 18182 7380 1 12 . 1 1 56 56 ASN C C 714 174.003 174.003 174.025 -0.022 18182 7381 1 12 . 1 1 56 56 ASN CA C 714 55.230 55.230 54.069 1.161 18182 7382 1 12 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.114 -0.974 18182 7383 1 12 . 1 1 56 56 ASN H H 714 8.411 8.411 8.657 -0.246 18182 7384 1 12 . 1 1 57 57 ASP N N 715 117.904 117.904 113.898 4.006 18182 7385 1 12 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.242 0.379 18182 7386 1 12 . 1 1 57 57 ASP C C 715 174.858 174.858 174.619 0.239 18182 7387 1 12 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.756 -0.574 18182 7388 1 12 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.648 0.238 18182 7389 1 12 . 1 1 57 57 ASP H H 715 8.542 8.542 8.662 -0.120 18182 7390 1 12 . 1 1 58 58 GLU N N 716 118.707 118.707 117.896 0.811 18182 7391 1 12 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.644 0.066 18182 7392 1 12 . 1 1 58 58 GLU C C 716 173.755 173.755 175.302 -1.547 18182 7393 1 12 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.479 -0.432 18182 7394 1 12 . 1 1 58 58 GLU CB C 716 34.286 34.286 32.897 1.389 18182 7395 1 12 . 1 1 58 58 GLU H H 716 7.889 7.889 7.597 0.292 18182 7396 1 12 . 1 1 59 59 VAL N N 717 120.720 120.720 127.614 -6.894 18182 7397 1 12 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.101 0.329 18182 7398 1 12 . 1 1 59 59 VAL C C 717 175.071 175.071 175.968 -0.897 18182 7399 1 12 . 1 1 59 59 VAL CA C 717 62.139 62.139 63.290 -1.151 18182 7400 1 12 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.524 0.547 18182 7401 1 12 . 1 1 59 59 VAL H H 717 8.536 8.536 8.692 -0.156 18182 7402 1 12 . 1 1 60 60 LYS N N 718 126.403 126.403 127.622 -1.219 18182 7403 1 12 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.667 -0.112 18182 7404 1 12 . 1 1 60 60 LYS C C 718 174.578 174.578 174.914 -0.336 18182 7405 1 12 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.963 -0.846 18182 7406 1 12 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.603 0.303 18182 7407 1 12 . 1 1 60 60 LYS H H 718 8.879 8.879 8.567 0.312 18182 7408 1 12 . 1 1 61 61 HIS N N 719 118.939 118.939 118.203 0.736 18182 7409 1 12 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.249 0.261 18182 7410 1 12 . 1 1 61 61 HIS C C 719 174.482 174.482 174.875 -0.393 18182 7411 1 12 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.244 0.174 18182 7412 1 12 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.664 2.585 18182 7413 1 12 . 1 1 61 61 HIS H H 719 8.846 8.846 8.449 0.397 18182 7414 1 12 . 1 1 62 62 ILE N N 720 124.690 124.690 124.137 0.553 18182 7415 1 12 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.442 0.066 18182 7416 1 12 . 1 1 62 62 ILE C C 720 176.221 176.221 174.733 1.488 18182 7417 1 12 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.282 0.001 18182 7418 1 12 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.833 3.189 18182 7419 1 12 . 1 1 62 62 ILE H H 720 9.704 9.704 9.231 0.473 18182 7420 1 12 . 1 1 63 63 LYS N N 721 126.432 126.432 127.608 -1.176 18182 7421 1 12 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.482 -0.347 18182 7422 1 12 . 1 1 63 63 LYS C C 721 174.783 174.783 175.695 -0.912 18182 7423 1 12 . 1 1 63 63 LYS CA C 721 58.478 58.478 55.995 2.483 18182 7424 1 12 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.527 0.326 18182 7425 1 12 . 1 1 63 63 LYS H H 721 9.100 9.100 8.611 0.489 18182 7426 1 12 . 1 1 64 64 VAL N N 722 123.306 123.306 121.568 1.738 18182 7427 1 12 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.314 -0.056 18182 7428 1 12 . 1 1 64 64 VAL C C 722 174.284 174.284 173.998 0.286 18182 7429 1 12 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.692 -0.399 18182 7430 1 12 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.126 -0.580 18182 7431 1 12 . 1 1 64 64 VAL H H 722 8.441 8.441 8.607 -0.166 18182 7432 1 12 . 1 1 65 65 VAL N N 723 126.508 126.508 127.181 -0.673 18182 7433 1 12 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.798 -0.516 18182 7434 1 12 . 1 1 65 65 VAL C C 723 174.127 174.127 175.326 -1.199 18182 7435 1 12 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.533 1.067 18182 7436 1 12 . 1 1 65 65 VAL CB C 723 33.717 33.717 32.716 1.001 18182 7437 1 12 . 1 1 65 65 VAL H H 723 8.462 8.462 8.160 0.302 18182 7438 1 12 . 1 1 66 66 GLU N N 724 126.016 126.016 128.853 -2.837 18182 7439 1 12 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.709 0.517 18182 7440 1 12 . 1 1 66 66 GLU C C 724 175.409 175.409 174.997 0.412 18182 7441 1 12 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.374 -0.623 18182 7442 1 12 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.201 1.256 18182 7443 1 12 . 1 1 66 66 GLU H H 724 8.619 8.619 8.000 0.619 18182 7444 1 12 . 1 1 67 67 LYS N N 725 125.813 125.813 123.612 2.201 18182 7445 1 12 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.428 0.069 18182 7446 1 12 . 1 1 67 67 LYS C C 725 175.635 175.635 174.932 0.703 18182 7447 1 12 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.798 0.625 18182 7448 1 12 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.562 -0.264 18182 7449 1 12 . 1 1 67 67 LYS H H 725 8.740 8.740 8.014 0.726 18182 7450 1 12 . 1 1 68 68 ASP N N 726 126.958 126.958 123.020 3.938 18182 7451 1 12 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.307 -0.076 18182 7452 1 12 . 1 1 68 68 ASP C C 726 174.341 174.341 175.296 -0.955 18182 7453 1 12 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.463 0.790 18182 7454 1 12 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.897 -0.398 18182 7455 1 12 . 1 1 68 68 ASP H H 726 9.499 9.499 8.905 0.594 18182 7456 1 12 . 1 1 69 69 ASN N N 727 110.214 110.214 112.230 -2.016 18182 7457 1 12 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.116 0.149 18182 7458 1 12 . 1 1 69 69 ASN C C 727 173.779 173.779 173.479 0.300 18182 7459 1 12 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.404 0.285 18182 7460 1 12 . 1 1 69 69 ASN CB C 727 37.488 37.488 36.997 0.491 18182 7461 1 12 . 1 1 69 69 ASN H H 727 8.348 8.348 8.628 -0.280 18182 7462 1 12 . 1 1 70 70 TRP N N 728 119.007 119.007 114.543 4.464 18182 7463 1 12 . 1 1 70 70 TRP HA H 728 5.390 5.390 4.926 0.464 18182 7464 1 12 . 1 1 70 70 TRP C C 728 174.779 174.779 174.868 -0.089 18182 7465 1 12 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.480 1.346 18182 7466 1 12 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.366 1.189 18182 7467 1 12 . 1 1 70 70 TRP H H 728 8.063 8.063 7.436 0.627 18182 7468 1 12 . 1 1 71 71 ILE N N 729 122.016 122.016 120.399 1.617 18182 7469 1 12 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.420 1.180 18182 7470 1 12 . 1 1 71 71 ILE C C 729 175.184 175.184 173.739 1.445 18182 7471 1 12 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.910 -1.056 18182 7472 1 12 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.767 0.829 18182 7473 1 12 . 1 1 71 71 ILE H H 729 9.378 9.378 9.133 0.245 18182 7474 1 12 . 1 1 72 72 HIS N N 730 121.306 121.306 123.083 -1.777 18182 7475 1 12 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.254 -0.036 18182 7476 1 12 . 1 1 72 72 HIS C C 730 173.714 173.714 174.439 -0.725 18182 7477 1 12 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.773 0.869 18182 7478 1 12 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.420 1.085 18182 7479 1 12 . 1 1 72 72 HIS H H 730 9.048 9.048 7.801 1.247 18182 7480 1 12 . 1 1 73 73 ILE N N 731 112.643 112.643 115.649 -3.006 18182 7481 1 12 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.367 0.570 18182 7482 1 12 . 1 1 73 73 ILE C C 731 175.442 175.442 175.550 -0.108 18182 7483 1 12 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.507 0.171 18182 7484 1 12 . 1 1 73 73 ILE CB C 731 39.406 39.406 38.859 0.547 18182 7485 1 12 . 1 1 73 73 ILE H H 731 9.499 9.499 8.660 0.839 18182 7486 1 12 . 1 1 74 74 THR N N 732 115.752 115.752 110.294 5.458 18182 7487 1 12 . 1 1 74 74 THR HA H 732 4.812 4.812 4.510 0.302 18182 7488 1 12 . 1 1 74 74 THR C C 732 173.575 173.575 174.372 -0.797 18182 7489 1 12 . 1 1 74 74 THR CA C 732 58.650 58.650 59.677 -1.027 18182 7490 1 12 . 1 1 74 74 THR CB C 732 70.177 70.177 71.486 -1.309 18182 7491 1 12 . 1 1 74 74 THR H H 732 8.364 8.364 7.548 0.816 18182 7492 1 12 . 1 1 75 75 GLU N N 733 124.910 124.910 120.040 4.870 18182 7493 1 12 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.224 -1.251 18182 7494 1 12 . 1 1 75 75 GLU C C 733 175.609 175.609 175.156 0.453 18182 7495 1 12 . 1 1 75 75 GLU CA C 733 58.662 58.662 55.995 2.667 18182 7496 1 12 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.951 0.012 18182 7497 1 12 . 1 1 75 75 GLU H H 733 8.754 8.754 8.744 0.010 18182 7498 1 12 . 1 1 76 76 ALA N N 734 117.847 117.847 121.870 -4.023 18182 7499 1 12 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.323 -0.383 18182 7500 1 12 . 1 1 76 76 ALA C C 734 177.033 177.033 176.946 0.087 18182 7501 1 12 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.617 0.557 18182 7502 1 12 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.632 -1.139 18182 7503 1 12 . 1 1 76 76 ALA H H 734 7.538 7.538 7.619 -0.081 18182 7504 1 12 . 1 1 77 77 LYS N N 735 119.518 119.518 119.598 -0.080 18182 7505 1 12 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.290 -0.179 18182 7506 1 12 . 1 1 77 77 LYS C C 735 171.953 171.953 174.456 -2.503 18182 7507 1 12 . 1 1 77 77 LYS CA C 735 54.699 54.699 54.991 -0.292 18182 7508 1 12 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.212 0.073 18182 7509 1 12 . 1 1 77 77 LYS H H 735 7.326 7.326 7.895 -0.569 18182 7510 1 12 . 1 1 78 78 LYS N N 736 123.200 123.200 117.613 5.587 18182 7511 1 12 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.273 0.458 18182 7512 1 12 . 1 1 78 78 LYS C C 736 175.123 175.123 173.953 1.170 18182 7513 1 12 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.103 1.007 18182 7514 1 12 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.843 0.127 18182 7515 1 12 . 1 1 78 78 LYS H H 736 7.893 7.893 7.510 0.383 18182 7516 1 12 . 1 1 79 79 PHE N N 737 117.916 117.916 117.104 0.812 18182 7517 1 12 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.647 0.347 18182 7518 1 12 . 1 1 79 79 PHE C C 737 175.595 175.595 174.988 0.607 18182 7519 1 12 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.079 -0.138 18182 7520 1 12 . 1 1 79 79 PHE CB C 737 43.413 43.413 43.144 0.269 18182 7521 1 12 . 1 1 79 79 PHE H H 737 9.121 9.121 8.298 0.823 18182 7522 1 12 . 1 1 80 80 ASP N N 738 119.341 119.341 120.769 -1.428 18182 7523 1 12 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.032 -0.283 18182 7524 1 12 . 1 1 80 80 ASP C C 738 176.035 176.035 175.684 0.351 18182 7525 1 12 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.450 0.263 18182 7526 1 12 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.138 -0.429 18182 7527 1 12 . 1 1 80 80 ASP H H 738 9.377 9.377 9.095 0.282 18182 7528 1 12 . 1 1 81 81 SER N N 739 108.518 108.518 109.203 -0.685 18182 7529 1 12 . 1 1 81 81 SER HA H 739 4.694 4.694 4.564 0.130 18182 7530 1 12 . 1 1 81 81 SER C C 739 173.791 173.791 174.276 -0.485 18182 7531 1 12 . 1 1 81 81 SER CA C 739 57.049 57.049 57.278 -0.229 18182 7532 1 12 . 1 1 81 81 SER CB C 739 66.839 66.839 64.805 2.034 18182 7533 1 12 . 1 1 81 81 SER H H 739 7.447 7.447 7.441 0.006 18182 7534 1 12 . 1 1 82 82 LEU N N 740 122.626 122.626 121.998 0.628 18182 7535 1 12 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.079 -0.268 18182 7536 1 12 . 1 1 82 82 LEU C C 740 177.172 177.172 177.925 -0.753 18182 7537 1 12 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.534 -1.065 18182 7538 1 12 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.840 -1.021 18182 7539 1 12 . 1 1 82 82 LEU H H 740 8.969 8.969 8.575 0.394 18182 7540 1 12 . 1 1 83 83 LEU N N 741 116.575 116.575 118.533 -1.958 18182 7541 1 12 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.987 -0.150 18182 7542 1 12 . 1 1 83 83 LEU C C 741 177.492 177.492 178.394 -0.902 18182 7543 1 12 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.267 -0.003 18182 7544 1 12 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.888 0.041 18182 7545 1 12 . 1 1 83 83 LEU H H 741 7.770 7.770 8.085 -0.315 18182 7546 1 12 . 1 1 84 84 GLU N N 742 116.865 116.865 118.506 -1.641 18182 7547 1 12 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.329 -0.411 18182 7548 1 12 . 1 1 84 84 GLU C C 742 178.252 178.252 179.074 -0.822 18182 7549 1 12 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.561 -0.170 18182 7550 1 12 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.639 0.820 18182 7551 1 12 . 1 1 84 84 GLU H H 742 7.585 7.585 8.117 -0.532 18182 7552 1 12 . 1 1 85 85 LEU N N 743 122.164 122.164 121.047 1.117 18182 7553 1 12 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.427 -0.399 18182 7554 1 12 . 1 1 85 85 LEU C C 743 177.335 177.335 178.157 -0.822 18182 7555 1 12 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.467 1.304 18182 7556 1 12 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.062 0.765 18182 7557 1 12 . 1 1 85 85 LEU H H 743 7.109 7.109 7.578 -0.469 18182 7558 1 12 . 1 1 86 86 VAL N N 744 119.760 119.760 119.225 0.535 18182 7559 1 12 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.355 -0.502 18182 7560 1 12 . 1 1 86 86 VAL C C 744 177.675 177.675 178.232 -0.557 18182 7561 1 12 . 1 1 86 86 VAL CA C 744 67.113 67.113 65.946 1.167 18182 7562 1 12 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.382 0.729 18182 7563 1 12 . 1 1 86 86 VAL H H 744 8.113 8.113 8.415 -0.302 18182 7564 1 12 . 1 1 87 87 GLU N N 745 116.227 116.227 119.584 -3.357 18182 7565 1 12 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.815 -0.053 18182 7566 1 12 . 1 1 87 87 GLU C C 745 179.530 179.530 178.752 0.778 18182 7567 1 12 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.508 -0.070 18182 7568 1 12 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.059 0.093 18182 7569 1 12 . 1 1 87 87 GLU H H 745 8.182 8.182 8.434 -0.253 18182 7570 1 12 . 1 1 88 88 TYR N N 746 120.102 120.102 120.284 -0.182 18182 7571 1 12 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.201 -0.054 18182 7572 1 12 . 1 1 88 88 TYR C C 746 179.970 179.970 178.341 1.629 18182 7573 1 12 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.367 0.363 18182 7574 1 12 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.874 0.014 18182 7575 1 12 . 1 1 88 88 TYR H H 746 7.795 7.795 7.802 -0.007 18182 7576 1 12 . 1 1 89 89 TYR N N 747 118.508 118.508 117.957 0.551 18182 7577 1 12 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.508 0.593 18182 7578 1 12 . 1 1 89 89 TYR C C 747 175.885 175.885 178.557 -2.672 18182 7579 1 12 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.549 -0.372 18182 7580 1 12 . 1 1 89 89 TYR CB C 747 37.043 37.043 38.159 -1.116 18182 7581 1 12 . 1 1 89 89 TYR H H 747 7.798 7.798 8.275 -0.477 18182 7582 1 12 . 1 1 90 90 GLN N N 748 118.741 118.741 117.833 0.908 18182 7583 1 12 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.829 0.591 18182 7584 1 12 . 1 1 90 90 GLN C C 748 177.767 177.767 176.629 1.138 18182 7585 1 12 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.863 -0.992 18182 7586 1 12 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.624 0.049 18182 7587 1 12 . 1 1 90 90 GLN H H 748 7.925 7.925 8.079 -0.154 18182 7588 1 12 . 1 1 91 91 CYS N N 749 111.312 111.312 113.812 -2.500 18182 7589 1 12 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.194 0.447 18182 7590 1 12 . 1 1 91 91 CYS C C 749 173.010 173.010 174.853 -1.843 18182 7591 1 12 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.336 -1.801 18182 7592 1 12 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.465 -0.286 18182 7593 1 12 . 1 1 91 91 CYS H H 749 7.178 7.178 7.332 -0.154 18182 7594 1 12 . 1 1 92 92 HIS N N 750 120.386 120.386 119.396 0.990 18182 7595 1 12 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.528 -0.160 18182 7596 1 12 . 1 1 92 92 HIS C C 750 171.815 171.815 174.458 -2.643 18182 7597 1 12 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.911 -0.744 18182 7598 1 12 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.564 -1.258 18182 7599 1 12 . 1 1 92 92 HIS H H 750 7.540 7.540 7.995 -0.455 18182 7600 1 12 . 1 1 93 93 SER N N 751 113.259 113.259 117.431 -4.172 18182 7601 1 12 . 1 1 93 93 SER HA H 751 3.812 3.812 4.353 -0.541 18182 7602 1 12 . 1 1 93 93 SER C C 751 176.644 176.644 175.868 0.776 18182 7603 1 12 . 1 1 93 93 SER CA C 751 58.040 58.040 57.387 0.653 18182 7604 1 12 . 1 1 93 93 SER CB C 751 62.954 62.954 63.954 -1.000 18182 7605 1 12 . 1 1 93 93 SER H H 751 8.397 8.397 8.664 -0.267 18182 7606 1 12 . 1 1 94 94 LEU N N 752 127.166 127.166 126.755 0.411 18182 7607 1 12 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.459 -0.319 18182 7608 1 12 . 1 1 94 94 LEU C C 752 177.462 177.462 177.833 -0.371 18182 7609 1 12 . 1 1 94 94 LEU CA C 752 58.300 58.300 57.604 0.696 18182 7610 1 12 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.796 0.536 18182 7611 1 12 . 1 1 94 94 LEU H H 752 8.580 8.580 8.398 0.182 18182 7612 1 12 . 1 1 95 95 LYS N N 753 122.119 122.119 119.179 2.940 18182 7613 1 12 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.441 -0.001 18182 7614 1 12 . 1 1 95 95 LYS C C 753 176.253 176.253 179.019 -2.766 18182 7615 1 12 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.718 -1.489 18182 7616 1 12 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.498 0.846 18182 7617 1 12 . 1 1 95 95 LYS H H 753 8.322 8.322 7.475 0.847 18182 7618 1 12 . 1 1 96 96 GLU N N 754 115.310 115.310 118.722 -3.412 18182 7619 1 12 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.004 0.133 18182 7620 1 12 . 1 1 96 96 GLU C C 754 176.704 176.704 178.462 -1.758 18182 7621 1 12 . 1 1 96 96 GLU CA C 754 58.489 58.489 59.039 -0.550 18182 7622 1 12 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.317 0.360 18182 7623 1 12 . 1 1 96 96 GLU H H 754 7.197 7.197 7.883 -0.686 18182 7624 1 12 . 1 1 97 97 SER N N 755 113.390 113.390 113.489 -0.099 18182 7625 1 12 . 1 1 97 97 SER HA H 755 4.583 4.583 4.348 0.235 18182 7626 1 12 . 1 1 97 97 SER C C 755 171.185 171.185 174.839 -3.654 18182 7627 1 12 . 1 1 97 97 SER CA C 755 59.569 59.569 59.475 0.094 18182 7628 1 12 . 1 1 97 97 SER CB C 755 66.435 66.435 64.574 1.861 18182 7629 1 12 . 1 1 97 97 SER H H 755 7.857 7.857 7.700 0.157 18182 7630 1 12 . 1 1 98 98 PHE N N 756 121.328 121.328 121.220 0.108 18182 7631 1 12 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.672 0.093 18182 7632 1 12 . 1 1 98 98 PHE C C 756 175.774 175.774 176.354 -0.580 18182 7633 1 12 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.597 0.274 18182 7634 1 12 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.055 1.656 18182 7635 1 12 . 1 1 98 98 PHE H H 756 8.409 8.409 8.633 -0.224 18182 7636 1 12 . 1 1 99 99 LYS N N 757 121.656 121.656 125.556 -3.900 18182 7637 1 12 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.090 0.023 18182 7638 1 12 . 1 1 99 99 LYS C C 757 177.188 177.188 178.018 -0.830 18182 7639 1 12 . 1 1 99 99 LYS CA C 757 59.736 59.736 58.750 0.986 18182 7640 1 12 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.027 0.329 18182 7641 1 12 . 1 1 99 99 LYS H H 757 8.602 8.602 8.769 -0.167 18182 7642 1 12 . 1 1 100 100 GLN N N 758 115.783 115.783 116.693 -0.910 18182 7643 1 12 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.283 0.100 18182 7644 1 12 . 1 1 100 100 GLN C C 758 175.849 175.849 176.308 -0.459 18182 7645 1 12 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.372 -1.540 18182 7646 1 12 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.073 -0.756 18182 7647 1 12 . 1 1 100 100 GLN H H 758 9.139 9.139 8.461 0.678 18182 7648 1 12 . 1 1 101 101 LEU N N 759 124.876 124.876 119.315 5.561 18182 7649 1 12 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.503 -0.811 18182 7650 1 12 . 1 1 101 101 LEU C C 759 173.219 173.219 175.583 -2.364 18182 7651 1 12 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.834 -2.386 18182 7652 1 12 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.788 -1.800 18182 7653 1 12 . 1 1 101 101 LEU H H 759 7.924 7.924 7.572 0.352 18182 7654 1 12 . 1 1 102 102 ASP N N 760 119.263 119.263 117.796 1.467 18182 7655 1 12 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.646 -0.079 18182 7656 1 12 . 1 1 102 102 ASP C C 760 173.570 173.570 174.209 -0.639 18182 7657 1 12 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.701 -1.826 18182 7658 1 12 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.125 -3.096 18182 7659 1 12 . 1 1 102 102 ASP H H 760 6.564 6.564 7.374 -0.810 18182 7660 1 12 . 1 1 103 103 THR N N 761 117.311 117.311 114.310 3.001 18182 7661 1 12 . 1 1 103 103 THR HA H 761 4.701 4.701 4.616 0.085 18182 7662 1 12 . 1 1 103 103 THR C C 761 172.169 172.169 172.921 -0.752 18182 7663 1 12 . 1 1 103 103 THR CA C 761 60.491 60.491 60.072 0.419 18182 7664 1 12 . 1 1 103 103 THR CB C 761 69.358 69.358 70.240 -0.882 18182 7665 1 12 . 1 1 103 103 THR H H 761 7.699 7.699 7.300 0.399 18182 7666 1 12 . 1 1 104 104 THR N N 762 114.211 114.211 114.788 -0.577 18182 7667 1 12 . 1 1 104 104 THR HA H 762 4.603 4.603 4.515 0.088 18182 7668 1 12 . 1 1 104 104 THR C C 762 175.647 175.647 174.066 1.581 18182 7669 1 12 . 1 1 104 104 THR CA C 762 60.899 60.899 60.001 0.898 18182 7670 1 12 . 1 1 104 104 THR CB C 762 70.981 70.981 71.414 -0.433 18182 7671 1 12 . 1 1 104 104 THR H H 762 7.300 7.300 8.140 -0.840 18182 7672 1 12 . 1 1 105 105 LEU N N 763 117.640 117.640 122.655 -5.015 18182 7673 1 12 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.712 -0.189 18182 7674 1 12 . 1 1 105 105 LEU C C 763 174.500 174.500 176.353 -1.853 18182 7675 1 12 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.172 -1.017 18182 7676 1 12 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.543 -3.796 18182 7677 1 12 . 1 1 105 105 LEU H H 763 8.113 8.113 8.510 -0.397 18182 7678 1 12 . 1 1 106 106 LYS N N 764 127.345 127.345 125.807 1.538 18182 7679 1 12 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.247 -0.236 18182 7680 1 12 . 1 1 106 106 LYS C C 764 176.781 176.781 176.404 0.377 18182 7681 1 12 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.396 3.492 18182 7682 1 12 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.851 0.372 18182 7683 1 12 . 1 1 106 106 LYS H H 764 7.181 7.181 8.227 -1.046 18182 7684 1 12 . 1 1 107 107 TYR N N 765 115.756 115.756 118.010 -2.254 18182 7685 1 12 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.938 0.583 18182 7686 1 12 . 1 1 107 107 TYR C C 765 172.106 172.106 172.931 -0.825 18182 7687 1 12 . 1 1 107 107 TYR CA C 765 52.621 52.621 54.593 -1.972 18182 7688 1 12 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.697 1.821 18182 7689 1 12 . 1 1 107 107 TYR H H 765 7.877 7.877 7.596 0.281 18182 7690 1 12 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.234 -0.561 18182 7691 1 12 . 1 1 108 108 PRO C C 766 180.696 180.696 176.292 4.404 18182 7692 1 12 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.768 0.843 18182 7693 1 12 . 1 1 109 109 TYR N N 767 122.570 122.570 113.864 8.706 18182 7694 1 12 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.365 -0.548 18182 7695 1 12 . 1 1 109 109 TYR C C 767 174.769 174.769 177.664 -2.895 18182 7696 1 12 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.045 1.138 18182 7697 1 12 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.895 -0.428 18182 7698 1 12 . 1 1 109 109 TYR H H 767 8.341 8.341 8.027 0.314 18182 7699 1 12 . 1 1 110 110 LYS N N 768 118.398 118.398 118.922 -0.524 18182 7700 1 12 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.217 -0.275 18182 7701 1 12 . 1 1 110 110 LYS C C 768 176.453 176.453 176.474 -0.021 18182 7702 1 12 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.592 -0.690 18182 7703 1 12 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.795 -0.214 18182 7704 1 12 . 1 1 110 110 LYS H H 768 6.790 6.790 6.849 -0.059 18182 7705 1 12 . 1 1 111 111 SER N N 769 114.260 114.260 111.605 2.655 18182 7706 1 12 . 1 1 111 111 SER HA H 769 4.384 4.384 4.282 0.102 18182 7707 1 12 . 1 1 111 111 SER C C 769 174.124 174.124 173.652 0.472 18182 7708 1 12 . 1 1 111 111 SER CA C 769 58.802 58.802 58.882 -0.080 18182 7709 1 12 . 1 1 111 111 SER CB C 769 64.206 64.206 63.691 0.515 18182 7710 1 12 . 1 1 111 111 SER H H 769 7.769 7.769 7.883 -0.114 18182 7711 1 12 . 1 1 112 112 ARG N N 770 122.485 122.485 122.881 -0.396 18182 7712 1 12 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.534 -0.155 18182 7713 1 12 . 1 1 112 112 ARG C C 770 175.139 175.139 175.592 -0.453 18182 7714 1 12 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.233 0.395 18182 7715 1 12 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.241 0.694 18182 7716 1 12 . 1 1 112 112 ARG H H 770 8.109 8.109 8.558 -0.449 18182 7717 1 13 . 1 1 2 2 ARG N N 660 123.565 123.565 120.870 2.695 18182 7718 1 13 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.497 0.133 18182 7719 1 13 . 1 1 2 2 ARG C C 660 173.529 173.529 173.978 -0.449 18182 7720 1 13 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.297 -2.428 18182 7721 1 13 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.998 0.430 18182 7722 1 13 . 1 1 2 2 ARG H H 660 8.295 8.295 8.162 0.133 18182 7723 1 13 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.714 -0.042 18182 7724 1 13 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.453 -0.041 18182 7725 1 13 . 1 1 4 4 PRO C C 662 177.096 177.096 176.596 0.500 18182 7726 1 13 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.884 0.412 18182 7727 1 13 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.427 -0.405 18182 7728 1 13 . 1 1 5 5 SER N N 663 116.025 116.025 116.846 -0.821 18182 7729 1 13 . 1 1 5 5 SER HA H 663 4.374 4.374 4.368 0.006 18182 7730 1 13 . 1 1 5 5 SER C C 663 174.815 174.815 174.662 0.153 18182 7731 1 13 . 1 1 5 5 SER CA C 663 58.797 58.797 58.521 0.276 18182 7732 1 13 . 1 1 5 5 SER CB C 663 64.024 64.024 63.996 0.028 18182 7733 1 13 . 1 1 5 5 SER H H 663 8.406 8.406 8.267 0.139 18182 7734 1 13 . 1 1 6 6 ARG N N 664 122.062 122.062 118.854 3.208 18182 7735 1 13 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.412 -0.033 18182 7736 1 13 . 1 1 6 6 ARG C C 664 175.958 175.958 175.455 0.503 18182 7737 1 13 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.447 -0.311 18182 7738 1 13 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.142 0.570 18182 7739 1 13 . 1 1 6 6 ARG H H 664 8.371 8.371 8.469 -0.098 18182 7740 1 13 . 1 1 7 7 GLU N N 665 122.160 122.160 123.057 -0.897 18182 7741 1 13 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.333 -0.020 18182 7742 1 13 . 1 1 7 7 GLU C C 665 175.842 175.842 175.634 0.208 18182 7743 1 13 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.671 -0.261 18182 7744 1 13 . 1 1 7 7 GLU CB C 665 29.972 29.972 29.040 0.932 18182 7745 1 13 . 1 1 7 7 GLU H H 665 8.352 8.352 8.294 0.058 18182 7746 1 13 . 1 1 8 8 ILE N N 666 123.828 123.828 125.742 -1.914 18182 7747 1 13 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.356 -0.516 18182 7748 1 13 . 1 1 8 8 ILE C C 666 174.373 174.373 175.310 -0.937 18182 7749 1 13 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.405 0.522 18182 7750 1 13 . 1 1 8 8 ILE CB C 666 39.541 39.541 40.453 -0.912 18182 7751 1 13 . 1 1 8 8 ILE H H 666 7.938 7.938 8.016 -0.078 18182 7752 1 13 . 1 1 9 9 ASP N N 667 124.338 124.338 127.393 -3.055 18182 7753 1 13 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.701 -0.082 18182 7754 1 13 . 1 1 9 9 ASP C C 667 177.006 177.006 176.418 0.588 18182 7755 1 13 . 1 1 9 9 ASP CA C 667 52.052 52.052 52.915 -0.863 18182 7756 1 13 . 1 1 9 9 ASP CB C 667 40.364 40.364 39.388 0.976 18182 7757 1 13 . 1 1 9 9 ASP H H 667 8.111 8.111 8.813 -0.702 18182 7758 1 13 . 1 1 10 10 TYR N N 668 125.199 125.199 122.824 2.375 18182 7759 1 13 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.194 -0.006 18182 7760 1 13 . 1 1 10 10 TYR C C 668 175.947 175.947 176.956 -1.009 18182 7761 1 13 . 1 1 10 10 TYR CA C 668 60.683 60.683 61.274 -0.591 18182 7762 1 13 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.717 -1.481 18182 7763 1 13 . 1 1 10 10 TYR H H 668 8.495 8.495 8.023 0.472 18182 7764 1 13 . 1 1 11 11 THR N N 669 108.617 108.617 109.923 -1.306 18182 7765 1 13 . 1 1 11 11 THR HA H 669 4.148 4.148 3.728 0.420 18182 7766 1 13 . 1 1 11 11 THR C C 669 175.184 175.184 175.354 -0.170 18182 7767 1 13 . 1 1 11 11 THR CA C 669 65.022 65.022 64.568 0.454 18182 7768 1 13 . 1 1 11 11 THR CB C 669 69.280 69.280 68.411 0.869 18182 7769 1 13 . 1 1 11 11 THR H H 669 8.011 8.011 7.883 0.128 18182 7770 1 13 . 1 1 12 12 ALA N N 670 121.275 121.275 122.968 -1.693 18182 7771 1 13 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.988 0.088 18182 7772 1 13 . 1 1 12 12 ALA C C 670 177.815 177.815 177.553 0.262 18182 7773 1 13 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.267 -0.711 18182 7774 1 13 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.365 0.509 18182 7775 1 13 . 1 1 12 12 ALA H H 670 7.411 7.411 7.221 0.190 18182 7776 1 13 . 1 1 13 13 TYR N N 671 117.883 117.883 117.228 0.655 18182 7777 1 13 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.171 0.130 18182 7778 1 13 . 1 1 13 13 TYR C C 671 176.698 176.698 174.693 2.005 18182 7779 1 13 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.236 0.750 18182 7780 1 13 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.368 -0.553 18182 7781 1 13 . 1 1 13 13 TYR H H 671 7.538 7.538 7.147 0.391 18182 7782 1 13 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.136 0.220 18182 7783 1 13 . 1 1 14 14 PRO C C 672 173.452 173.452 177.090 -3.638 18182 7784 1 13 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.494 -0.171 18182 7785 1 13 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.235 -1.012 18182 7786 1 13 . 1 1 15 15 TRP N N 673 110.044 110.044 114.163 -4.119 18182 7787 1 13 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.494 0.298 18182 7788 1 13 . 1 1 15 15 TRP C C 673 175.577 175.577 175.414 0.163 18182 7789 1 13 . 1 1 15 15 TRP CA C 673 53.157 53.157 55.702 -2.545 18182 7790 1 13 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.622 3.751 18182 7791 1 13 . 1 1 15 15 TRP H H 673 6.229 6.229 7.409 -1.180 18182 7792 1 13 . 1 1 16 16 PHE N N 674 123.205 123.205 121.202 2.003 18182 7793 1 13 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.451 0.720 18182 7794 1 13 . 1 1 16 16 PHE C C 674 174.832 174.832 173.804 1.028 18182 7795 1 13 . 1 1 16 16 PHE CA C 674 59.872 59.872 58.570 1.302 18182 7796 1 13 . 1 1 16 16 PHE CB C 674 40.208 40.208 39.775 0.433 18182 7797 1 13 . 1 1 16 16 PHE H H 674 7.625 7.625 6.820 0.805 18182 7798 1 13 . 1 1 17 17 ALA N N 675 130.669 130.669 129.977 0.692 18182 7799 1 13 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.901 0.047 18182 7800 1 13 . 1 1 17 17 ALA C C 675 177.266 177.266 175.890 1.376 18182 7801 1 13 . 1 1 17 17 ALA CA C 675 51.268 51.268 51.321 -0.053 18182 7802 1 13 . 1 1 17 17 ALA CB C 675 22.428 22.428 20.759 1.669 18182 7803 1 13 . 1 1 17 17 ALA H H 675 9.097 9.097 7.857 1.240 18182 7804 1 13 . 1 1 18 18 GLY C C 676 174.230 174.230 174.525 -0.295 18182 7805 1 13 . 1 1 18 18 GLY CA C 676 46.930 46.930 45.046 1.884 18182 7806 1 13 . 1 1 19 19 ASN N N 677 124.910 124.910 119.969 4.941 18182 7807 1 13 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.447 0.447 18182 7808 1 13 . 1 1 19 19 ASN C C 677 174.597 174.597 174.049 0.548 18182 7809 1 13 . 1 1 19 19 ASN CA C 677 52.942 52.942 54.333 -1.391 18182 7810 1 13 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.617 -1.659 18182 7811 1 13 . 1 1 19 19 ASN H H 677 8.682 8.682 8.637 0.045 18182 7812 1 13 . 1 1 20 20 MET N N 678 122.347 122.347 122.225 0.122 18182 7813 1 13 . 1 1 20 20 MET HA H 678 4.115 4.115 4.694 -0.579 18182 7814 1 13 . 1 1 20 20 MET C C 678 175.451 175.451 174.479 0.972 18182 7815 1 13 . 1 1 20 20 MET CA C 678 56.675 56.675 54.843 1.831 18182 7816 1 13 . 1 1 20 20 MET CB C 678 35.208 35.208 36.884 -1.676 18182 7817 1 13 . 1 1 20 20 MET H H 678 7.006 7.006 8.152 -1.146 18182 7818 1 13 . 1 1 21 21 GLU N N 679 124.989 124.989 123.337 1.652 18182 7819 1 13 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.557 -0.266 18182 7820 1 13 . 1 1 21 21 GLU C C 679 178.232 178.232 176.284 1.948 18182 7821 1 13 . 1 1 21 21 GLU CA C 679 56.127 56.127 56.255 -0.128 18182 7822 1 13 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.666 0.266 18182 7823 1 13 . 1 1 21 21 GLU H H 679 8.761 8.761 8.756 0.005 18182 7824 1 13 . 1 1 22 22 ARG N N 680 125.521 125.521 121.407 4.114 18182 7825 1 13 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.003 -0.667 18182 7826 1 13 . 1 1 22 22 ARG C C 680 177.707 177.707 178.330 -0.623 18182 7827 1 13 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.183 1.861 18182 7828 1 13 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.775 0.282 18182 7829 1 13 . 1 1 22 22 ARG H H 680 9.406 9.406 8.857 0.549 18182 7830 1 13 . 1 1 23 23 GLN N N 681 117.320 117.320 118.501 -1.181 18182 7831 1 13 . 1 1 23 23 GLN HA H 681 4.065 4.065 3.993 0.072 18182 7832 1 13 . 1 1 23 23 GLN C C 681 178.317 178.317 178.400 -0.083 18182 7833 1 13 . 1 1 23 23 GLN CA C 681 59.751 59.751 59.679 0.072 18182 7834 1 13 . 1 1 23 23 GLN CB C 681 27.784 27.784 28.021 -0.237 18182 7835 1 13 . 1 1 23 23 GLN H H 681 9.048 9.048 8.662 0.386 18182 7836 1 13 . 1 1 24 24 GLN N N 682 117.909 117.909 119.220 -1.311 18182 7837 1 13 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.089 0.032 18182 7838 1 13 . 1 1 24 24 GLN C C 682 178.190 178.190 178.481 -0.291 18182 7839 1 13 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.134 -0.391 18182 7840 1 13 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.453 -0.138 18182 7841 1 13 . 1 1 24 24 GLN H H 682 7.182 7.182 7.958 -0.776 18182 7842 1 13 . 1 1 25 25 THR N N 683 117.007 117.007 116.043 0.964 18182 7843 1 13 . 1 1 25 25 THR HA H 683 3.681 3.681 3.938 -0.257 18182 7844 1 13 . 1 1 25 25 THR C C 683 175.786 175.786 176.756 -0.970 18182 7845 1 13 . 1 1 25 25 THR CA C 683 67.702 67.702 66.851 0.851 18182 7846 1 13 . 1 1 25 25 THR CB C 683 68.000 68.000 68.054 -0.054 18182 7847 1 13 . 1 1 25 25 THR H H 683 7.903 7.903 7.796 0.107 18182 7848 1 13 . 1 1 26 26 ASP N N 684 122.824 122.824 121.652 1.172 18182 7849 1 13 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.488 -0.208 18182 7850 1 13 . 1 1 26 26 ASP C C 684 178.269 178.269 178.278 -0.009 18182 7851 1 13 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.161 0.975 18182 7852 1 13 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.866 -0.688 18182 7853 1 13 . 1 1 26 26 ASP H H 684 8.430 8.430 8.301 0.129 18182 7854 1 13 . 1 1 27 27 ASN N N 685 115.634 115.634 118.499 -2.865 18182 7855 1 13 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.539 -0.180 18182 7856 1 13 . 1 1 27 27 ASN C C 685 177.065 177.065 178.158 -1.093 18182 7857 1 13 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.865 0.046 18182 7858 1 13 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.885 -0.379 18182 7859 1 13 . 1 1 27 27 ASN H H 685 7.647 7.647 8.030 -0.383 18182 7860 1 13 . 1 1 28 28 LEU N N 686 120.594 120.594 121.889 -1.295 18182 7861 1 13 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.133 0.096 18182 7862 1 13 . 1 1 28 28 LEU C C 686 179.502 179.502 178.563 0.939 18182 7863 1 13 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.272 -0.292 18182 7864 1 13 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.415 0.688 18182 7865 1 13 . 1 1 28 28 LEU H H 686 8.093 8.093 8.623 -0.530 18182 7866 1 13 . 1 1 29 29 LEU N N 687 115.149 115.149 117.628 -2.479 18182 7867 1 13 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.203 -0.121 18182 7868 1 13 . 1 1 29 29 LEU C C 687 178.910 178.910 178.827 0.083 18182 7869 1 13 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.951 -0.034 18182 7870 1 13 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.749 1.149 18182 7871 1 13 . 1 1 29 29 LEU H H 687 8.386 8.386 8.078 0.308 18182 7872 1 13 . 1 1 30 30 LYS N N 688 118.086 118.086 118.212 -0.126 18182 7873 1 13 . 1 1 30 30 LYS HA H 688 3.738 3.738 3.955 -0.217 18182 7874 1 13 . 1 1 30 30 LYS C C 688 177.312 177.312 178.573 -1.261 18182 7875 1 13 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.236 1.274 18182 7876 1 13 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.211 -0.120 18182 7877 1 13 . 1 1 30 30 LYS H H 688 7.752 7.752 7.601 0.151 18182 7878 1 13 . 1 1 31 31 SER N N 689 111.134 111.134 112.190 -1.056 18182 7879 1 13 . 1 1 31 31 SER HA H 689 4.460 4.460 4.271 0.189 18182 7880 1 13 . 1 1 31 31 SER C C 689 174.501 174.501 175.032 -0.531 18182 7881 1 13 . 1 1 31 31 SER CA C 689 58.559 58.559 59.563 -1.004 18182 7882 1 13 . 1 1 31 31 SER CB C 689 63.528 63.528 63.541 -0.014 18182 7883 1 13 . 1 1 31 31 SER H H 689 7.629 7.629 7.693 -0.064 18182 7884 1 13 . 1 1 32 32 HIS N N 690 120.218 120.218 119.917 0.301 18182 7885 1 13 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.486 0.170 18182 7886 1 13 . 1 1 32 32 HIS C C 690 173.855 173.855 174.577 -0.722 18182 7887 1 13 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.855 -0.636 18182 7888 1 13 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.522 1.402 18182 7889 1 13 . 1 1 32 32 HIS H H 690 7.701 7.701 7.247 0.454 18182 7890 1 13 . 1 1 33 33 ALA N N 691 120.317 120.317 123.871 -3.554 18182 7891 1 13 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.340 -0.009 18182 7892 1 13 . 1 1 33 33 ALA C C 691 179.494 179.494 177.585 1.909 18182 7893 1 13 . 1 1 33 33 ALA CA C 691 51.850 51.850 52.189 -0.339 18182 7894 1 13 . 1 1 33 33 ALA CB C 691 20.045 20.045 19.630 0.415 18182 7895 1 13 . 1 1 33 33 ALA H H 691 8.453 8.453 8.666 -0.213 18182 7896 1 13 . 1 1 34 34 SER N N 692 117.274 117.274 113.774 3.500 18182 7897 1 13 . 1 1 34 34 SER HA H 692 4.089 4.089 4.662 -0.573 18182 7898 1 13 . 1 1 34 34 SER C C 692 175.336 175.336 174.565 0.771 18182 7899 1 13 . 1 1 34 34 SER CA C 692 60.531 60.531 59.008 1.523 18182 7900 1 13 . 1 1 34 34 SER CB C 692 63.308 63.308 62.825 0.483 18182 7901 1 13 . 1 1 34 34 SER H H 692 8.997 8.997 8.450 0.547 18182 7902 1 13 . 1 1 35 35 GLY N N 693 113.573 113.573 108.428 5.145 18182 7903 1 13 . 1 1 35 35 GLY C C 693 174.808 174.808 173.010 1.798 18182 7904 1 13 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.527 -0.668 18182 7905 1 13 . 1 1 35 35 GLY H H 693 9.926 9.926 7.408 2.518 18182 7906 1 13 . 1 1 36 36 THR N N 694 121.076 121.076 119.300 1.776 18182 7907 1 13 . 1 1 36 36 THR HA H 694 5.962 5.962 5.749 0.213 18182 7908 1 13 . 1 1 36 36 THR C C 694 173.297 173.297 173.210 0.087 18182 7909 1 13 . 1 1 36 36 THR CA C 694 63.612 63.612 61.898 1.714 18182 7910 1 13 . 1 1 36 36 THR CB C 694 68.317 68.317 70.901 -2.584 18182 7911 1 13 . 1 1 36 36 THR H H 694 8.291 8.291 7.613 0.678 18182 7912 1 13 . 1 1 37 37 TYR N N 695 123.616 123.616 123.631 -0.015 18182 7913 1 13 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.811 0.230 18182 7914 1 13 . 1 1 37 37 TYR C C 695 171.831 171.831 173.093 -1.262 18182 7915 1 13 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.923 0.382 18182 7916 1 13 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.866 2.493 18182 7917 1 13 . 1 1 37 37 TYR H H 695 8.805 8.805 9.138 -0.333 18182 7918 1 13 . 1 1 38 38 LEU N N 696 115.449 115.449 114.897 0.552 18182 7919 1 13 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.313 -0.154 18182 7920 1 13 . 1 1 38 38 LEU C C 696 174.331 174.331 174.612 -0.281 18182 7921 1 13 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.636 -0.779 18182 7922 1 13 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.107 0.786 18182 7923 1 13 . 1 1 38 38 LEU H H 696 9.105 9.105 8.836 0.269 18182 7924 1 13 . 1 1 39 39 ILE N N 697 121.911 121.911 119.106 2.805 18182 7925 1 13 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.904 0.515 18182 7926 1 13 . 1 1 39 39 ILE C C 697 173.476 173.476 174.283 -0.807 18182 7927 1 13 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.165 -0.240 18182 7928 1 13 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.880 -1.951 18182 7929 1 13 . 1 1 39 39 ILE H H 697 9.313 9.313 8.133 1.180 18182 7930 1 13 . 1 1 40 40 ARG N N 698 122.878 122.878 123.159 -0.281 18182 7931 1 13 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.604 -0.312 18182 7932 1 13 . 1 1 40 40 ARG C C 698 174.308 174.308 174.858 -0.550 18182 7933 1 13 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.157 -1.413 18182 7934 1 13 . 1 1 40 40 ARG CB C 698 33.517 33.517 34.380 -0.863 18182 7935 1 13 . 1 1 40 40 ARG H H 698 9.185 9.185 9.196 -0.011 18182 7936 1 13 . 1 1 41 41 GLU N N 699 122.405 122.405 122.176 0.229 18182 7937 1 13 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.471 0.426 18182 7938 1 13 . 1 1 41 41 GLU C C 699 176.242 176.242 174.664 1.578 18182 7939 1 13 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.340 0.186 18182 7940 1 13 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.406 -0.273 18182 7941 1 13 . 1 1 41 41 GLU H H 699 8.634 8.634 8.675 -0.041 18182 7942 1 13 . 1 1 42 42 ARG N N 700 125.045 125.045 122.799 2.246 18182 7943 1 13 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.666 0.028 18182 7944 1 13 . 1 1 42 42 ARG CB C 700 31.573 31.573 32.869 -1.296 18182 7945 1 13 . 1 1 42 42 ARG H H 700 8.639 8.639 8.444 0.195 18182 7946 1 13 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.245 0.169 18182 7947 1 13 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.519 -0.108 18182 7948 1 13 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.045 -0.547 18182 7949 1 13 . 1 1 44 44 ALA N N 702 122.925 122.925 127.357 -4.432 18182 7950 1 13 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.474 -0.152 18182 7951 1 13 . 1 1 44 44 ALA C C 702 176.610 176.610 176.164 0.446 18182 7952 1 13 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.968 -0.166 18182 7953 1 13 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.933 -0.542 18182 7954 1 13 . 1 1 44 44 ALA H H 702 7.888 7.888 7.876 0.012 18182 7955 1 13 . 1 1 45 45 GLU N N 703 118.799 118.799 120.456 -1.657 18182 7956 1 13 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.386 -0.149 18182 7957 1 13 . 1 1 45 45 GLU C C 703 176.717 176.717 177.566 -0.849 18182 7958 1 13 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.084 -0.183 18182 7959 1 13 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.860 0.226 18182 7960 1 13 . 1 1 45 45 GLU H H 703 7.947 7.947 8.942 -0.995 18182 7961 1 13 . 1 1 46 46 ALA N N 704 120.631 120.631 122.519 -1.888 18182 7962 1 13 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.248 0.167 18182 7963 1 13 . 1 1 46 46 ALA C C 704 178.411 178.411 177.007 1.404 18182 7964 1 13 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.654 0.554 18182 7965 1 13 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.053 0.190 18182 7966 1 13 . 1 1 46 46 ALA H H 704 8.643 8.643 7.868 0.775 18182 7967 1 13 . 1 1 47 47 GLU N N 705 119.341 119.341 117.626 1.715 18182 7968 1 13 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.846 0.010 18182 7969 1 13 . 1 1 47 47 GLU C C 705 176.013 176.013 176.268 -0.255 18182 7970 1 13 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.853 -0.995 18182 7971 1 13 . 1 1 47 47 GLU CB C 705 26.834 26.834 29.540 -2.706 18182 7972 1 13 . 1 1 47 47 GLU H H 705 7.635 7.635 8.141 -0.506 18182 7973 1 13 . 1 1 48 48 ARG N N 706 120.355 120.355 121.697 -1.342 18182 7974 1 13 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.232 -0.267 18182 7975 1 13 . 1 1 48 48 ARG C C 706 175.117 175.117 176.039 -0.922 18182 7976 1 13 . 1 1 48 48 ARG CA C 706 58.155 58.155 57.110 1.045 18182 7977 1 13 . 1 1 48 48 ARG CB C 706 31.691 31.691 31.611 0.080 18182 7978 1 13 . 1 1 48 48 ARG H H 706 7.971 7.971 8.669 -0.698 18182 7979 1 13 . 1 1 49 49 PHE N N 707 112.251 112.251 114.172 -1.921 18182 7980 1 13 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.598 1.307 18182 7981 1 13 . 1 1 49 49 PHE C C 707 173.875 173.875 173.287 0.588 18182 7982 1 13 . 1 1 49 49 PHE CA C 707 54.809 54.809 57.190 -2.381 18182 7983 1 13 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.600 -0.525 18182 7984 1 13 . 1 1 49 49 PHE H H 707 7.857 7.857 7.442 0.415 18182 7985 1 13 . 1 1 50 50 ALA N N 708 118.730 118.730 122.529 -3.799 18182 7986 1 13 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.092 0.362 18182 7987 1 13 . 1 1 50 50 ALA C C 708 176.479 176.479 175.600 0.879 18182 7988 1 13 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.016 -0.174 18182 7989 1 13 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.072 0.646 18182 7990 1 13 . 1 1 50 50 ALA H H 708 9.205 9.205 9.073 0.132 18182 7991 1 13 . 1 1 51 51 ILE N N 709 120.037 120.037 125.425 -5.388 18182 7992 1 13 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.844 -0.098 18182 7993 1 13 . 1 1 51 51 ILE C C 709 175.120 175.120 175.488 -0.368 18182 7994 1 13 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.556 0.167 18182 7995 1 13 . 1 1 51 51 ILE CB C 709 40.300 40.300 39.523 0.777 18182 7996 1 13 . 1 1 51 51 ILE H H 709 9.262 9.262 8.725 0.537 18182 7997 1 13 . 1 1 52 52 SER N N 710 125.087 125.087 120.943 4.144 18182 7998 1 13 . 1 1 52 52 SER HA H 710 5.468 5.468 5.347 0.121 18182 7999 1 13 . 1 1 52 52 SER C C 710 172.060 172.060 172.757 -0.697 18182 8000 1 13 . 1 1 52 52 SER CA C 710 57.761 57.761 57.306 0.455 18182 8001 1 13 . 1 1 52 52 SER CB C 710 65.210 65.210 65.915 -0.705 18182 8002 1 13 . 1 1 52 52 SER H H 710 9.205 9.205 9.125 0.080 18182 8003 1 13 . 1 1 53 53 ILE N N 711 121.753 121.753 123.388 -1.635 18182 8004 1 13 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.003 0.192 18182 8005 1 13 . 1 1 53 53 ILE C C 711 173.070 173.070 173.154 -0.084 18182 8006 1 13 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.585 -1.830 18182 8007 1 13 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.942 0.415 18182 8008 1 13 . 1 1 53 53 ILE H H 711 8.989 8.989 8.413 0.576 18182 8009 1 13 . 1 1 54 54 LYS N N 712 128.758 128.758 128.453 0.305 18182 8010 1 13 . 1 1 54 54 LYS HA H 712 4.787 4.787 4.623 0.164 18182 8011 1 13 . 1 1 54 54 LYS C C 712 174.899 174.899 174.969 -0.070 18182 8012 1 13 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.055 -0.688 18182 8013 1 13 . 1 1 54 54 LYS CB C 712 33.358 33.358 32.554 0.804 18182 8014 1 13 . 1 1 54 54 LYS H H 712 8.894 8.894 8.440 0.454 18182 8015 1 13 . 1 1 55 55 PHE N N 713 130.369 130.369 127.355 3.014 18182 8016 1 13 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.837 0.110 18182 8017 1 13 . 1 1 55 55 PHE C C 713 174.238 174.238 174.408 -0.170 18182 8018 1 13 . 1 1 55 55 PHE CA C 713 58.165 58.165 56.933 1.232 18182 8019 1 13 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.778 -0.974 18182 8020 1 13 . 1 1 55 55 PHE H H 713 9.464 9.464 8.384 1.080 18182 8021 1 13 . 1 1 56 56 ASN N N 714 125.719 125.719 126.189 -0.470 18182 8022 1 13 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.144 -0.203 18182 8023 1 13 . 1 1 56 56 ASN C C 714 174.003 174.003 174.467 -0.464 18182 8024 1 13 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.908 1.321 18182 8025 1 13 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.418 -1.278 18182 8026 1 13 . 1 1 56 56 ASN H H 714 8.411 8.411 8.670 -0.259 18182 8027 1 13 . 1 1 57 57 ASP N N 715 117.904 117.904 115.687 2.217 18182 8028 1 13 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.358 0.263 18182 8029 1 13 . 1 1 57 57 ASP C C 715 174.858 174.858 174.667 0.191 18182 8030 1 13 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.952 -0.770 18182 8031 1 13 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.215 0.671 18182 8032 1 13 . 1 1 57 57 ASP H H 715 8.542 8.542 8.253 0.289 18182 8033 1 13 . 1 1 58 58 GLU N N 716 118.707 118.707 117.698 1.009 18182 8034 1 13 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.615 0.095 18182 8035 1 13 . 1 1 58 58 GLU C C 716 173.755 173.755 175.329 -1.574 18182 8036 1 13 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.272 -0.225 18182 8037 1 13 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.116 1.170 18182 8038 1 13 . 1 1 58 58 GLU H H 716 7.889 7.889 7.665 0.224 18182 8039 1 13 . 1 1 59 59 VAL N N 717 120.720 120.720 127.102 -6.382 18182 8040 1 13 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.137 0.293 18182 8041 1 13 . 1 1 59 59 VAL C C 717 175.071 175.071 175.805 -0.734 18182 8042 1 13 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.861 -0.722 18182 8043 1 13 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.340 0.731 18182 8044 1 13 . 1 1 59 59 VAL H H 717 8.536 8.536 8.703 -0.167 18182 8045 1 13 . 1 1 60 60 LYS N N 718 126.403 126.403 126.993 -0.590 18182 8046 1 13 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.612 -0.057 18182 8047 1 13 . 1 1 60 60 LYS C C 718 174.578 174.578 175.011 -0.433 18182 8048 1 13 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.736 -1.619 18182 8049 1 13 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.327 0.579 18182 8050 1 13 . 1 1 60 60 LYS H H 718 8.879 8.879 7.855 1.024 18182 8051 1 13 . 1 1 61 61 HIS N N 719 118.939 118.939 118.255 0.684 18182 8052 1 13 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.442 0.068 18182 8053 1 13 . 1 1 61 61 HIS C C 719 174.482 174.482 174.981 -0.499 18182 8054 1 13 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.063 0.355 18182 8055 1 13 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.010 2.239 18182 8056 1 13 . 1 1 61 61 HIS H H 719 8.846 8.846 8.413 0.433 18182 8057 1 13 . 1 1 62 62 ILE N N 720 124.690 124.690 124.182 0.508 18182 8058 1 13 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.362 0.146 18182 8059 1 13 . 1 1 62 62 ILE C C 720 176.221 176.221 174.986 1.235 18182 8060 1 13 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.188 0.095 18182 8061 1 13 . 1 1 62 62 ILE CB C 720 43.022 43.022 38.905 4.117 18182 8062 1 13 . 1 1 62 62 ILE H H 720 9.704 9.704 9.238 0.466 18182 8063 1 13 . 1 1 63 63 LYS N N 721 126.432 126.432 127.865 -1.433 18182 8064 1 13 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.558 -0.423 18182 8065 1 13 . 1 1 63 63 LYS C C 721 174.783 174.783 176.100 -1.317 18182 8066 1 13 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.481 1.997 18182 8067 1 13 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.966 0.887 18182 8068 1 13 . 1 1 63 63 LYS H H 721 9.100 9.100 8.668 0.432 18182 8069 1 13 . 1 1 64 64 VAL N N 722 123.306 123.306 123.012 0.294 18182 8070 1 13 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.292 -0.034 18182 8071 1 13 . 1 1 64 64 VAL C C 722 174.284 174.284 174.478 -0.194 18182 8072 1 13 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.055 0.238 18182 8073 1 13 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.226 0.320 18182 8074 1 13 . 1 1 64 64 VAL H H 722 8.441 8.441 8.906 -0.465 18182 8075 1 13 . 1 1 65 65 VAL N N 723 126.508 126.508 128.312 -1.804 18182 8076 1 13 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.525 -0.243 18182 8077 1 13 . 1 1 65 65 VAL C C 723 174.127 174.127 175.239 -1.112 18182 8078 1 13 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.641 0.959 18182 8079 1 13 . 1 1 65 65 VAL CB C 723 33.717 33.717 31.214 2.503 18182 8080 1 13 . 1 1 65 65 VAL H H 723 8.462 8.462 8.040 0.422 18182 8081 1 13 . 1 1 66 66 GLU N N 724 126.016 126.016 129.630 -3.614 18182 8082 1 13 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.902 0.324 18182 8083 1 13 . 1 1 66 66 GLU C C 724 175.409 175.409 175.312 0.097 18182 8084 1 13 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.312 -0.562 18182 8085 1 13 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.012 1.445 18182 8086 1 13 . 1 1 66 66 GLU H H 724 8.619 8.619 8.090 0.529 18182 8087 1 13 . 1 1 67 67 LYS N N 725 125.813 125.813 125.155 0.658 18182 8088 1 13 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.516 -0.019 18182 8089 1 13 . 1 1 67 67 LYS C C 725 175.635 175.635 175.417 0.218 18182 8090 1 13 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.342 1.081 18182 8091 1 13 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.514 -0.216 18182 8092 1 13 . 1 1 67 67 LYS H H 725 8.740 8.740 8.107 0.633 18182 8093 1 13 . 1 1 68 68 ASP N N 726 126.958 126.958 121.713 5.245 18182 8094 1 13 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.330 -0.099 18182 8095 1 13 . 1 1 68 68 ASP C C 726 174.341 174.341 174.948 -0.607 18182 8096 1 13 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.610 0.643 18182 8097 1 13 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.290 0.209 18182 8098 1 13 . 1 1 68 68 ASP H H 726 9.499 9.499 8.841 0.658 18182 8099 1 13 . 1 1 69 69 ASN N N 727 110.214 110.214 113.278 -3.064 18182 8100 1 13 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.109 0.156 18182 8101 1 13 . 1 1 69 69 ASN C C 727 173.779 173.779 173.265 0.514 18182 8102 1 13 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.195 0.494 18182 8103 1 13 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.535 -0.047 18182 8104 1 13 . 1 1 69 69 ASN H H 727 8.348 8.348 8.503 -0.155 18182 8105 1 13 . 1 1 70 70 TRP N N 728 119.007 119.007 114.508 4.499 18182 8106 1 13 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.004 0.386 18182 8107 1 13 . 1 1 70 70 TRP C C 728 174.779 174.779 174.986 -0.207 18182 8108 1 13 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.372 1.454 18182 8109 1 13 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.328 1.227 18182 8110 1 13 . 1 1 70 70 TRP H H 728 8.063 8.063 7.472 0.591 18182 8111 1 13 . 1 1 71 71 ILE N N 729 122.016 122.016 120.777 1.239 18182 8112 1 13 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.604 0.996 18182 8113 1 13 . 1 1 71 71 ILE C C 729 175.184 175.184 173.957 1.227 18182 8114 1 13 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.984 -1.130 18182 8115 1 13 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.595 1.001 18182 8116 1 13 . 1 1 71 71 ILE H H 729 9.378 9.378 9.248 0.130 18182 8117 1 13 . 1 1 72 72 HIS N N 730 121.306 121.306 123.171 -1.865 18182 8118 1 13 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.240 -0.022 18182 8119 1 13 . 1 1 72 72 HIS C C 730 173.714 173.714 174.332 -0.618 18182 8120 1 13 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.796 0.846 18182 8121 1 13 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.872 0.633 18182 8122 1 13 . 1 1 72 72 HIS H H 730 9.048 9.048 8.164 0.884 18182 8123 1 13 . 1 1 73 73 ILE N N 731 112.643 112.643 116.958 -4.315 18182 8124 1 13 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.439 0.498 18182 8125 1 13 . 1 1 73 73 ILE C C 731 175.442 175.442 175.378 0.064 18182 8126 1 13 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.139 0.539 18182 8127 1 13 . 1 1 73 73 ILE CB C 731 39.406 39.406 38.958 0.448 18182 8128 1 13 . 1 1 73 73 ILE H H 731 9.499 9.499 8.867 0.632 18182 8129 1 13 . 1 1 74 74 THR N N 732 115.752 115.752 113.416 2.336 18182 8130 1 13 . 1 1 74 74 THR HA H 732 4.812 4.812 4.562 0.250 18182 8131 1 13 . 1 1 74 74 THR C C 732 173.575 173.575 173.937 -0.362 18182 8132 1 13 . 1 1 74 74 THR CA C 732 58.650 58.650 60.206 -1.556 18182 8133 1 13 . 1 1 74 74 THR CB C 732 70.177 70.177 71.374 -1.197 18182 8134 1 13 . 1 1 74 74 THR H H 732 8.364 8.364 7.798 0.566 18182 8135 1 13 . 1 1 75 75 GLU N N 733 124.910 124.910 120.968 3.942 18182 8136 1 13 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.260 -1.287 18182 8137 1 13 . 1 1 75 75 GLU C C 733 175.609 175.609 175.883 -0.274 18182 8138 1 13 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.706 1.956 18182 8139 1 13 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.691 -0.728 18182 8140 1 13 . 1 1 75 75 GLU H H 733 8.754 8.754 8.761 -0.007 18182 8141 1 13 . 1 1 76 76 ALA N N 734 117.847 117.847 121.813 -3.966 18182 8142 1 13 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.280 -0.340 18182 8143 1 13 . 1 1 76 76 ALA C C 734 177.033 177.033 177.284 -0.251 18182 8144 1 13 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.956 0.218 18182 8145 1 13 . 1 1 76 76 ALA CB C 734 19.493 19.493 19.845 -0.352 18182 8146 1 13 . 1 1 76 76 ALA H H 734 7.538 7.538 8.299 -0.761 18182 8147 1 13 . 1 1 77 77 LYS N N 735 119.518 119.518 116.880 2.638 18182 8148 1 13 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.247 -0.136 18182 8149 1 13 . 1 1 77 77 LYS C C 735 171.953 171.953 174.010 -2.057 18182 8150 1 13 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.685 -0.986 18182 8151 1 13 . 1 1 77 77 LYS CB C 735 33.285 33.285 35.172 -1.887 18182 8152 1 13 . 1 1 77 77 LYS H H 735 7.326 7.326 7.891 -0.565 18182 8153 1 13 . 1 1 78 78 LYS N N 736 123.200 123.200 120.346 2.854 18182 8154 1 13 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.430 0.301 18182 8155 1 13 . 1 1 78 78 LYS C C 736 175.123 175.123 175.535 -0.412 18182 8156 1 13 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.897 0.213 18182 8157 1 13 . 1 1 78 78 LYS CB C 736 34.970 34.970 33.245 1.725 18182 8158 1 13 . 1 1 78 78 LYS H H 736 7.893 7.893 7.948 -0.055 18182 8159 1 13 . 1 1 79 79 PHE N N 737 117.916 117.916 118.769 -0.853 18182 8160 1 13 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.562 0.432 18182 8161 1 13 . 1 1 79 79 PHE C C 737 175.595 175.595 175.447 0.148 18182 8162 1 13 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.400 -0.459 18182 8163 1 13 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.788 0.625 18182 8164 1 13 . 1 1 79 79 PHE H H 737 9.121 9.121 8.629 0.492 18182 8165 1 13 . 1 1 80 80 ASP N N 738 119.341 119.341 120.794 -1.453 18182 8166 1 13 . 1 1 80 80 ASP HA H 738 4.749 4.749 4.909 -0.160 18182 8167 1 13 . 1 1 80 80 ASP C C 738 176.035 176.035 175.585 0.450 18182 8168 1 13 . 1 1 80 80 ASP CA C 738 55.712 55.712 56.035 -0.323 18182 8169 1 13 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.027 -0.318 18182 8170 1 13 . 1 1 80 80 ASP H H 738 9.377 9.377 9.142 0.235 18182 8171 1 13 . 1 1 81 81 SER N N 739 108.518 108.518 108.458 0.060 18182 8172 1 13 . 1 1 81 81 SER HA H 739 4.694 4.694 4.645 0.049 18182 8173 1 13 . 1 1 81 81 SER C C 739 173.791 173.791 174.214 -0.423 18182 8174 1 13 . 1 1 81 81 SER CA C 739 57.049 57.049 57.316 -0.268 18182 8175 1 13 . 1 1 81 81 SER CB C 739 66.839 66.839 65.845 0.994 18182 8176 1 13 . 1 1 81 81 SER H H 739 7.447 7.447 7.490 -0.043 18182 8177 1 13 . 1 1 82 82 LEU N N 740 122.626 122.626 123.675 -1.049 18182 8178 1 13 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.193 -0.382 18182 8179 1 13 . 1 1 82 82 LEU C C 740 177.172 177.172 178.029 -0.857 18182 8180 1 13 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.517 -1.048 18182 8181 1 13 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.252 -1.433 18182 8182 1 13 . 1 1 82 82 LEU H H 740 8.969 8.969 8.846 0.123 18182 8183 1 13 . 1 1 83 83 LEU N N 741 116.575 116.575 119.307 -2.732 18182 8184 1 13 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.932 -0.095 18182 8185 1 13 . 1 1 83 83 LEU C C 741 177.492 177.492 178.003 -0.511 18182 8186 1 13 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.467 -0.203 18182 8187 1 13 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.987 -0.058 18182 8188 1 13 . 1 1 83 83 LEU H H 741 7.770 7.770 8.202 -0.432 18182 8189 1 13 . 1 1 84 84 GLU N N 742 116.865 116.865 119.410 -2.545 18182 8190 1 13 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.007 -0.089 18182 8191 1 13 . 1 1 84 84 GLU C C 742 178.252 178.252 178.847 -0.595 18182 8192 1 13 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.718 -0.327 18182 8193 1 13 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.610 0.849 18182 8194 1 13 . 1 1 84 84 GLU H H 742 7.585 7.585 7.882 -0.297 18182 8195 1 13 . 1 1 85 85 LEU N N 743 122.164 122.164 120.769 1.395 18182 8196 1 13 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.503 -0.475 18182 8197 1 13 . 1 1 85 85 LEU C C 743 177.335 177.335 178.365 -1.030 18182 8198 1 13 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.657 1.114 18182 8199 1 13 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.596 0.231 18182 8200 1 13 . 1 1 85 85 LEU H H 743 7.109 7.109 7.391 -0.282 18182 8201 1 13 . 1 1 86 86 VAL N N 744 119.760 119.760 119.232 0.528 18182 8202 1 13 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.330 -0.477 18182 8203 1 13 . 1 1 86 86 VAL C C 744 177.675 177.675 178.035 -0.360 18182 8204 1 13 . 1 1 86 86 VAL CA C 744 67.113 67.113 67.275 -0.162 18182 8205 1 13 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.250 -0.139 18182 8206 1 13 . 1 1 86 86 VAL H H 744 8.113 8.113 8.295 -0.182 18182 8207 1 13 . 1 1 87 87 GLU N N 745 116.227 116.227 118.775 -2.548 18182 8208 1 13 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.808 -0.046 18182 8209 1 13 . 1 1 87 87 GLU C C 745 179.530 179.530 178.962 0.568 18182 8210 1 13 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.525 -0.087 18182 8211 1 13 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.463 -0.311 18182 8212 1 13 . 1 1 87 87 GLU H H 745 8.182 8.182 8.237 -0.055 18182 8213 1 13 . 1 1 88 88 TYR N N 746 120.102 120.102 120.855 -0.753 18182 8214 1 13 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.005 0.142 18182 8215 1 13 . 1 1 88 88 TYR C C 746 179.970 179.970 178.106 1.864 18182 8216 1 13 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.010 0.721 18182 8217 1 13 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.664 0.224 18182 8218 1 13 . 1 1 88 88 TYR H H 746 7.795 7.795 8.324 -0.529 18182 8219 1 13 . 1 1 89 89 TYR N N 747 118.508 118.508 116.886 1.622 18182 8220 1 13 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.352 0.749 18182 8221 1 13 . 1 1 89 89 TYR C C 747 175.885 175.885 178.345 -2.460 18182 8222 1 13 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.040 0.137 18182 8223 1 13 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.934 -0.891 18182 8224 1 13 . 1 1 89 89 TYR H H 747 7.798 7.798 8.248 -0.450 18182 8225 1 13 . 1 1 90 90 GLN N N 748 118.741 118.741 117.799 0.942 18182 8226 1 13 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.839 0.581 18182 8227 1 13 . 1 1 90 90 GLN C C 748 177.767 177.767 176.640 1.127 18182 8228 1 13 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.721 -0.850 18182 8229 1 13 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.504 0.169 18182 8230 1 13 . 1 1 90 90 GLN H H 748 7.925 7.925 8.113 -0.188 18182 8231 1 13 . 1 1 91 91 CYS N N 749 111.312 111.312 113.994 -2.682 18182 8232 1 13 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.310 0.331 18182 8233 1 13 . 1 1 91 91 CYS C C 749 173.010 173.010 175.034 -2.024 18182 8234 1 13 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.304 -1.769 18182 8235 1 13 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.930 -0.751 18182 8236 1 13 . 1 1 91 91 CYS H H 749 7.178 7.178 7.204 -0.026 18182 8237 1 13 . 1 1 92 92 HIS N N 750 120.386 120.386 119.118 1.268 18182 8238 1 13 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.482 -0.114 18182 8239 1 13 . 1 1 92 92 HIS C C 750 171.815 171.815 174.365 -2.550 18182 8240 1 13 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.297 -0.129 18182 8241 1 13 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.883 -1.577 18182 8242 1 13 . 1 1 92 92 HIS H H 750 7.540 7.540 7.353 0.187 18182 8243 1 13 . 1 1 93 93 SER N N 751 113.259 113.259 115.635 -2.376 18182 8244 1 13 . 1 1 93 93 SER HA H 751 3.812 3.812 4.282 -0.470 18182 8245 1 13 . 1 1 93 93 SER C C 751 176.644 176.644 176.039 0.605 18182 8246 1 13 . 1 1 93 93 SER CA C 751 58.040 58.040 57.773 0.267 18182 8247 1 13 . 1 1 93 93 SER CB C 751 62.954 62.954 63.934 -0.980 18182 8248 1 13 . 1 1 93 93 SER H H 751 8.397 8.397 8.638 -0.241 18182 8249 1 13 . 1 1 94 94 LEU N N 752 127.166 127.166 126.877 0.289 18182 8250 1 13 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.362 -0.222 18182 8251 1 13 . 1 1 94 94 LEU C C 752 177.462 177.462 178.099 -0.637 18182 8252 1 13 . 1 1 94 94 LEU CA C 752 58.300 58.300 56.758 1.542 18182 8253 1 13 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.696 0.637 18182 8254 1 13 . 1 1 94 94 LEU H H 752 8.580 8.580 8.347 0.233 18182 8255 1 13 . 1 1 95 95 LYS N N 753 122.119 122.119 119.114 3.005 18182 8256 1 13 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.407 0.033 18182 8257 1 13 . 1 1 95 95 LYS C C 753 176.253 176.253 178.660 -2.407 18182 8258 1 13 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.803 -1.574 18182 8259 1 13 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.717 0.627 18182 8260 1 13 . 1 1 95 95 LYS H H 753 8.322 8.322 7.519 0.803 18182 8261 1 13 . 1 1 96 96 GLU N N 754 115.310 115.310 119.650 -4.340 18182 8262 1 13 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.108 0.029 18182 8263 1 13 . 1 1 96 96 GLU C C 754 176.704 176.704 178.123 -1.419 18182 8264 1 13 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.732 -0.243 18182 8265 1 13 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.437 0.240 18182 8266 1 13 . 1 1 96 96 GLU H H 754 7.197 7.197 7.991 -0.794 18182 8267 1 13 . 1 1 97 97 SER N N 755 113.390 113.390 114.448 -1.058 18182 8268 1 13 . 1 1 97 97 SER HA H 755 4.583 4.583 4.260 0.323 18182 8269 1 13 . 1 1 97 97 SER C C 755 171.185 171.185 174.091 -2.906 18182 8270 1 13 . 1 1 97 97 SER CA C 755 59.569 59.569 60.489 -0.919 18182 8271 1 13 . 1 1 97 97 SER CB C 755 66.435 66.435 64.509 1.926 18182 8272 1 13 . 1 1 97 97 SER H H 755 7.857 7.857 7.722 0.135 18182 8273 1 13 . 1 1 98 98 PHE N N 756 121.328 121.328 120.660 0.668 18182 8274 1 13 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.747 0.018 18182 8275 1 13 . 1 1 98 98 PHE C C 756 175.774 175.774 176.021 -0.247 18182 8276 1 13 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.801 0.070 18182 8277 1 13 . 1 1 98 98 PHE CB C 756 39.711 39.711 39.873 -0.162 18182 8278 1 13 . 1 1 98 98 PHE H H 756 8.409 8.409 8.434 -0.025 18182 8279 1 13 . 1 1 99 99 LYS N N 757 121.656 121.656 124.440 -2.784 18182 8280 1 13 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.075 0.038 18182 8281 1 13 . 1 1 99 99 LYS C C 757 177.188 177.188 177.466 -0.278 18182 8282 1 13 . 1 1 99 99 LYS CA C 757 59.736 59.736 58.608 1.129 18182 8283 1 13 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.066 0.290 18182 8284 1 13 . 1 1 99 99 LYS H H 757 8.602 8.602 8.964 -0.362 18182 8285 1 13 . 1 1 100 100 GLN N N 758 115.783 115.783 116.027 -0.244 18182 8286 1 13 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.295 0.088 18182 8287 1 13 . 1 1 100 100 GLN C C 758 175.849 175.849 175.871 -0.022 18182 8288 1 13 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.151 -1.319 18182 8289 1 13 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.108 -0.791 18182 8290 1 13 . 1 1 100 100 GLN H H 758 9.139 9.139 8.315 0.824 18182 8291 1 13 . 1 1 101 101 LEU N N 759 124.876 124.876 121.598 3.278 18182 8292 1 13 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.349 -0.657 18182 8293 1 13 . 1 1 101 101 LEU C C 759 173.219 173.219 174.887 -1.668 18182 8294 1 13 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.799 -2.351 18182 8295 1 13 . 1 1 101 101 LEU CB C 759 41.988 41.988 42.760 -0.772 18182 8296 1 13 . 1 1 101 101 LEU H H 759 7.924 7.924 7.536 0.388 18182 8297 1 13 . 1 1 102 102 ASP N N 760 119.263 119.263 120.456 -1.193 18182 8298 1 13 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.771 -0.204 18182 8299 1 13 . 1 1 102 102 ASP C C 760 173.570 173.570 174.533 -0.963 18182 8300 1 13 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.537 -1.662 18182 8301 1 13 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.090 -3.061 18182 8302 1 13 . 1 1 102 102 ASP H H 760 6.564 6.564 7.799 -1.235 18182 8303 1 13 . 1 1 103 103 THR N N 761 117.311 117.311 112.880 4.431 18182 8304 1 13 . 1 1 103 103 THR HA H 761 4.701 4.701 4.453 0.248 18182 8305 1 13 . 1 1 103 103 THR C C 761 172.169 172.169 172.610 -0.441 18182 8306 1 13 . 1 1 103 103 THR CA C 761 60.491 60.491 59.883 0.608 18182 8307 1 13 . 1 1 103 103 THR CB C 761 69.358 69.358 70.823 -1.465 18182 8308 1 13 . 1 1 103 103 THR H H 761 7.699 7.699 7.253 0.446 18182 8309 1 13 . 1 1 104 104 THR N N 762 114.211 114.211 113.646 0.565 18182 8310 1 13 . 1 1 104 104 THR HA H 762 4.603 4.603 4.495 0.108 18182 8311 1 13 . 1 1 104 104 THR C C 762 175.647 175.647 173.992 1.655 18182 8312 1 13 . 1 1 104 104 THR CA C 762 60.899 60.899 59.939 0.960 18182 8313 1 13 . 1 1 104 104 THR CB C 762 70.981 70.981 71.632 -0.650 18182 8314 1 13 . 1 1 104 104 THR H H 762 7.300 7.300 8.099 -0.799 18182 8315 1 13 . 1 1 105 105 LEU N N 763 117.640 117.640 122.375 -4.735 18182 8316 1 13 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.732 -0.209 18182 8317 1 13 . 1 1 105 105 LEU C C 763 174.500 174.500 176.351 -1.851 18182 8318 1 13 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.246 -1.091 18182 8319 1 13 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.387 -3.640 18182 8320 1 13 . 1 1 105 105 LEU H H 763 8.113 8.113 8.478 -0.365 18182 8321 1 13 . 1 1 106 106 LYS N N 764 127.345 127.345 122.905 4.440 18182 8322 1 13 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.163 -0.152 18182 8323 1 13 . 1 1 106 106 LYS C C 764 176.781 176.781 176.626 0.155 18182 8324 1 13 . 1 1 106 106 LYS CA C 764 59.888 59.888 57.190 2.698 18182 8325 1 13 . 1 1 106 106 LYS CB C 764 35.223 35.223 33.856 1.367 18182 8326 1 13 . 1 1 106 106 LYS H H 764 7.181 7.181 8.010 -0.829 18182 8327 1 13 . 1 1 107 107 TYR N N 765 115.756 115.756 117.628 -1.872 18182 8328 1 13 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.913 0.608 18182 8329 1 13 . 1 1 107 107 TYR C C 765 172.106 172.106 172.595 -0.489 18182 8330 1 13 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.627 -3.006 18182 8331 1 13 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.225 1.293 18182 8332 1 13 . 1 1 107 107 TYR H H 765 7.877 7.877 8.183 -0.306 18182 8333 1 13 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.459 -0.786 18182 8334 1 13 . 1 1 108 108 PRO C C 766 180.696 180.696 176.317 4.379 18182 8335 1 13 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.840 0.771 18182 8336 1 13 . 1 1 109 109 TYR N N 767 122.570 122.570 114.271 8.299 18182 8337 1 13 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.031 -0.214 18182 8338 1 13 . 1 1 109 109 TYR C C 767 174.769 174.769 176.704 -1.935 18182 8339 1 13 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.588 1.595 18182 8340 1 13 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.028 -0.561 18182 8341 1 13 . 1 1 109 109 TYR H H 767 8.341 8.341 8.206 0.135 18182 8342 1 13 . 1 1 110 110 LYS N N 768 118.398 118.398 118.565 -0.167 18182 8343 1 13 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.114 -0.172 18182 8344 1 13 . 1 1 110 110 LYS C C 768 176.453 176.453 176.322 0.131 18182 8345 1 13 . 1 1 110 110 LYS CA C 768 56.901 56.901 56.623 0.278 18182 8346 1 13 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.672 -0.091 18182 8347 1 13 . 1 1 110 110 LYS H H 768 6.790 6.790 7.337 -0.547 18182 8348 1 13 . 1 1 111 111 SER N N 769 114.260 114.260 115.538 -1.278 18182 8349 1 13 . 1 1 111 111 SER HA H 769 4.384 4.384 4.255 0.129 18182 8350 1 13 . 1 1 111 111 SER C C 769 174.124 174.124 173.142 0.982 18182 8351 1 13 . 1 1 111 111 SER CA C 769 58.802 58.802 58.736 0.066 18182 8352 1 13 . 1 1 111 111 SER CB C 769 64.206 64.206 63.251 0.955 18182 8353 1 13 . 1 1 111 111 SER H H 769 7.769 7.769 7.938 -0.169 18182 8354 1 13 . 1 1 112 112 ARG N N 770 122.485 122.485 123.501 -1.016 18182 8355 1 13 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.598 -0.220 18182 8356 1 13 . 1 1 112 112 ARG C C 770 175.139 175.139 175.749 -0.610 18182 8357 1 13 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.533 0.095 18182 8358 1 13 . 1 1 112 112 ARG CB C 770 30.935 30.935 32.293 -1.358 18182 8359 1 13 . 1 1 112 112 ARG H H 770 8.109 8.109 8.297 -0.188 18182 8360 1 14 . 1 1 2 2 ARG N N 660 123.565 123.565 122.755 0.810 18182 8361 1 14 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.627 0.003 18182 8362 1 14 . 1 1 2 2 ARG C C 660 173.529 173.529 174.596 -1.067 18182 8363 1 14 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.858 -2.989 18182 8364 1 14 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.858 0.570 18182 8365 1 14 . 1 1 2 2 ARG H H 660 8.295 8.295 8.604 -0.309 18182 8366 1 14 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.493 0.179 18182 8367 1 14 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.439 -0.027 18182 8368 1 14 . 1 1 4 4 PRO C C 662 177.096 177.096 177.490 -0.394 18182 8369 1 14 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.848 0.448 18182 8370 1 14 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.330 -0.308 18182 8371 1 14 . 1 1 5 5 SER N N 663 116.025 116.025 116.061 -0.036 18182 8372 1 14 . 1 1 5 5 SER HA H 663 4.374 4.374 4.503 -0.129 18182 8373 1 14 . 1 1 5 5 SER C C 663 174.815 174.815 173.836 0.979 18182 8374 1 14 . 1 1 5 5 SER CA C 663 58.797 58.797 58.346 0.451 18182 8375 1 14 . 1 1 5 5 SER CB C 663 64.024 64.024 61.591 2.433 18182 8376 1 14 . 1 1 5 5 SER H H 663 8.406 8.406 8.528 -0.122 18182 8377 1 14 . 1 1 6 6 ARG N N 664 122.062 122.062 121.047 1.015 18182 8378 1 14 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.538 -0.159 18182 8379 1 14 . 1 1 6 6 ARG C C 664 175.958 175.958 175.087 0.871 18182 8380 1 14 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.666 0.470 18182 8381 1 14 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.290 0.422 18182 8382 1 14 . 1 1 6 6 ARG H H 664 8.371 8.371 7.644 0.727 18182 8383 1 14 . 1 1 7 7 GLU N N 665 122.160 122.160 122.917 -0.757 18182 8384 1 14 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.396 -0.083 18182 8385 1 14 . 1 1 7 7 GLU C C 665 175.842 175.842 175.653 0.189 18182 8386 1 14 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.788 0.623 18182 8387 1 14 . 1 1 7 7 GLU CB C 665 29.972 29.972 29.611 0.361 18182 8388 1 14 . 1 1 7 7 GLU H H 665 8.352 8.352 8.592 -0.240 18182 8389 1 14 . 1 1 8 8 ILE N N 666 123.828 123.828 126.218 -2.390 18182 8390 1 14 . 1 1 8 8 ILE HA H 666 3.840 3.840 3.993 -0.153 18182 8391 1 14 . 1 1 8 8 ILE C C 666 174.373 174.373 175.986 -1.613 18182 8392 1 14 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.376 -0.449 18182 8393 1 14 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.566 0.975 18182 8394 1 14 . 1 1 8 8 ILE H H 666 7.938 7.938 7.828 0.110 18182 8395 1 14 . 1 1 9 9 ASP N N 667 124.338 124.338 128.365 -4.027 18182 8396 1 14 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.753 -0.134 18182 8397 1 14 . 1 1 9 9 ASP C C 667 177.006 177.006 176.204 0.802 18182 8398 1 14 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.210 -1.158 18182 8399 1 14 . 1 1 9 9 ASP CB C 667 40.364 40.364 40.070 0.294 18182 8400 1 14 . 1 1 9 9 ASP H H 667 8.111 8.111 8.667 -0.556 18182 8401 1 14 . 1 1 10 10 TYR N N 668 125.199 125.199 122.406 2.793 18182 8402 1 14 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.167 0.021 18182 8403 1 14 . 1 1 10 10 TYR C C 668 175.947 175.947 177.032 -1.085 18182 8404 1 14 . 1 1 10 10 TYR CA C 668 60.683 60.683 61.001 -0.318 18182 8405 1 14 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.897 -1.661 18182 8406 1 14 . 1 1 10 10 TYR H H 668 8.495 8.495 8.004 0.491 18182 8407 1 14 . 1 1 11 11 THR N N 669 108.617 108.617 110.271 -1.654 18182 8408 1 14 . 1 1 11 11 THR HA H 669 4.148 4.148 3.474 0.674 18182 8409 1 14 . 1 1 11 11 THR C C 669 175.184 175.184 175.104 0.080 18182 8410 1 14 . 1 1 11 11 THR CA C 669 65.022 65.022 64.424 0.598 18182 8411 1 14 . 1 1 11 11 THR CB C 669 69.280 69.280 68.067 1.213 18182 8412 1 14 . 1 1 11 11 THR H H 669 8.011 8.011 7.834 0.177 18182 8413 1 14 . 1 1 12 12 ALA N N 670 121.275 121.275 123.817 -2.542 18182 8414 1 14 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.051 0.025 18182 8415 1 14 . 1 1 12 12 ALA C C 670 177.815 177.815 177.718 0.097 18182 8416 1 14 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.997 -0.441 18182 8417 1 14 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.628 0.246 18182 8418 1 14 . 1 1 12 12 ALA H H 670 7.411 7.411 7.158 0.253 18182 8419 1 14 . 1 1 13 13 TYR N N 671 117.883 117.883 118.161 -0.278 18182 8420 1 14 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.206 0.095 18182 8421 1 14 . 1 1 13 13 TYR C C 671 176.698 176.698 174.657 2.041 18182 8422 1 14 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.652 0.334 18182 8423 1 14 . 1 1 13 13 TYR CB C 671 36.815 36.815 36.850 -0.035 18182 8424 1 14 . 1 1 13 13 TYR H H 671 7.538 7.538 7.311 0.227 18182 8425 1 14 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.117 0.239 18182 8426 1 14 . 1 1 14 14 PRO C C 672 173.452 173.452 176.358 -2.906 18182 8427 1 14 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.768 -0.445 18182 8428 1 14 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.912 -0.689 18182 8429 1 14 . 1 1 15 15 TRP N N 673 110.044 110.044 112.138 -2.094 18182 8430 1 14 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.913 -0.121 18182 8431 1 14 . 1 1 15 15 TRP C C 673 175.577 175.577 174.670 0.907 18182 8432 1 14 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.612 -1.455 18182 8433 1 14 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.329 4.044 18182 8434 1 14 . 1 1 15 15 TRP H H 673 6.229 6.229 7.070 -0.841 18182 8435 1 14 . 1 1 16 16 PHE N N 674 123.205 123.205 122.695 0.510 18182 8436 1 14 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.874 0.297 18182 8437 1 14 . 1 1 16 16 PHE C C 674 174.832 174.832 173.239 1.593 18182 8438 1 14 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.869 3.003 18182 8439 1 14 . 1 1 16 16 PHE CB C 674 40.208 40.208 42.002 -1.794 18182 8440 1 14 . 1 1 16 16 PHE H H 674 7.625 7.625 8.074 -0.449 18182 8441 1 14 . 1 1 17 17 ALA N N 675 130.669 130.669 129.692 0.977 18182 8442 1 14 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.991 -0.043 18182 8443 1 14 . 1 1 17 17 ALA C C 675 177.266 177.266 176.242 1.024 18182 8444 1 14 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.770 0.498 18182 8445 1 14 . 1 1 17 17 ALA CB C 675 22.428 22.428 20.375 2.053 18182 8446 1 14 . 1 1 17 17 ALA H H 675 9.097 9.097 8.938 0.159 18182 8447 1 14 . 1 1 18 18 GLY C C 676 174.230 174.230 174.297 -0.067 18182 8448 1 14 . 1 1 18 18 GLY CA C 676 46.930 46.930 45.122 1.808 18182 8449 1 14 . 1 1 19 19 ASN N N 677 124.910 124.910 120.974 3.936 18182 8450 1 14 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.432 0.462 18182 8451 1 14 . 1 1 19 19 ASN C C 677 174.597 174.597 173.928 0.669 18182 8452 1 14 . 1 1 19 19 ASN CA C 677 52.942 52.942 54.133 -1.191 18182 8453 1 14 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.212 -1.253 18182 8454 1 14 . 1 1 19 19 ASN H H 677 8.682 8.682 8.517 0.165 18182 8455 1 14 . 1 1 20 20 MET N N 678 122.347 122.347 122.989 -0.642 18182 8456 1 14 . 1 1 20 20 MET HA H 678 4.115 4.115 4.645 -0.530 18182 8457 1 14 . 1 1 20 20 MET C C 678 175.451 175.451 173.943 1.508 18182 8458 1 14 . 1 1 20 20 MET CA C 678 56.675 56.675 53.902 2.773 18182 8459 1 14 . 1 1 20 20 MET CB C 678 35.208 35.208 37.013 -1.805 18182 8460 1 14 . 1 1 20 20 MET H H 678 7.006 7.006 8.538 -1.532 18182 8461 1 14 . 1 1 21 21 GLU N N 679 124.989 124.989 120.434 4.555 18182 8462 1 14 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.664 -0.373 18182 8463 1 14 . 1 1 21 21 GLU C C 679 178.232 178.232 176.871 1.361 18182 8464 1 14 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.113 1.014 18182 8465 1 14 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.536 -0.604 18182 8466 1 14 . 1 1 21 21 GLU H H 679 8.761 8.761 8.546 0.215 18182 8467 1 14 . 1 1 22 22 ARG N N 680 125.521 125.521 122.458 3.063 18182 8468 1 14 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.065 -0.729 18182 8469 1 14 . 1 1 22 22 ARG C C 680 177.707 177.707 178.116 -0.409 18182 8470 1 14 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.472 0.572 18182 8471 1 14 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.016 0.041 18182 8472 1 14 . 1 1 22 22 ARG H H 680 9.406 9.406 8.854 0.552 18182 8473 1 14 . 1 1 23 23 GLN N N 681 117.320 117.320 118.067 -0.747 18182 8474 1 14 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.041 0.024 18182 8475 1 14 . 1 1 23 23 GLN C C 681 178.317 178.317 178.098 0.219 18182 8476 1 14 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.904 0.847 18182 8477 1 14 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.496 0.288 18182 8478 1 14 . 1 1 23 23 GLN H H 681 9.048 9.048 8.679 0.369 18182 8479 1 14 . 1 1 24 24 GLN N N 682 117.909 117.909 119.974 -2.065 18182 8480 1 14 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.201 -0.080 18182 8481 1 14 . 1 1 24 24 GLN C C 682 178.190 178.190 178.527 -0.337 18182 8482 1 14 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.814 -0.071 18182 8483 1 14 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.352 -0.037 18182 8484 1 14 . 1 1 24 24 GLN H H 682 7.182 7.182 8.306 -1.124 18182 8485 1 14 . 1 1 25 25 THR N N 683 117.007 117.007 117.384 -0.377 18182 8486 1 14 . 1 1 25 25 THR HA H 683 3.681 3.681 3.936 -0.255 18182 8487 1 14 . 1 1 25 25 THR C C 683 175.786 175.786 176.492 -0.706 18182 8488 1 14 . 1 1 25 25 THR CA C 683 67.702 67.702 67.819 -0.117 18182 8489 1 14 . 1 1 25 25 THR CB C 683 68.000 68.000 68.450 -0.450 18182 8490 1 14 . 1 1 25 25 THR H H 683 7.903 7.903 8.185 -0.282 18182 8491 1 14 . 1 1 26 26 ASP N N 684 122.824 122.824 120.810 2.014 18182 8492 1 14 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.393 -0.113 18182 8493 1 14 . 1 1 26 26 ASP C C 684 178.269 178.269 178.343 -0.074 18182 8494 1 14 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.690 0.447 18182 8495 1 14 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.975 -0.797 18182 8496 1 14 . 1 1 26 26 ASP H H 684 8.430 8.430 8.512 -0.082 18182 8497 1 14 . 1 1 27 27 ASN N N 685 115.634 115.634 118.658 -3.024 18182 8498 1 14 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.530 -0.171 18182 8499 1 14 . 1 1 27 27 ASN C C 685 177.065 177.065 178.171 -1.106 18182 8500 1 14 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.422 0.489 18182 8501 1 14 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.505 0.001 18182 8502 1 14 . 1 1 27 27 ASN H H 685 7.647 7.647 7.958 -0.311 18182 8503 1 14 . 1 1 28 28 LEU N N 686 120.594 120.594 121.749 -1.155 18182 8504 1 14 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.045 0.184 18182 8505 1 14 . 1 1 28 28 LEU C C 686 179.502 179.502 178.557 0.945 18182 8506 1 14 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.390 -0.410 18182 8507 1 14 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.325 0.777 18182 8508 1 14 . 1 1 28 28 LEU H H 686 8.093 8.093 8.567 -0.474 18182 8509 1 14 . 1 1 29 29 LEU N N 687 115.149 115.149 116.147 -0.998 18182 8510 1 14 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.275 -0.193 18182 8511 1 14 . 1 1 29 29 LEU C C 687 178.910 178.910 178.450 0.460 18182 8512 1 14 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.584 0.333 18182 8513 1 14 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.814 1.084 18182 8514 1 14 . 1 1 29 29 LEU H H 687 8.386 8.386 8.113 0.273 18182 8515 1 14 . 1 1 30 30 LYS N N 688 118.086 118.086 117.419 0.667 18182 8516 1 14 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.068 -0.330 18182 8517 1 14 . 1 1 30 30 LYS C C 688 177.312 177.312 177.855 -0.543 18182 8518 1 14 . 1 1 30 30 LYS CA C 688 60.509 60.509 58.619 1.890 18182 8519 1 14 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.385 -0.295 18182 8520 1 14 . 1 1 30 30 LYS H H 688 7.752 7.752 7.709 0.043 18182 8521 1 14 . 1 1 31 31 SER N N 689 111.134 111.134 112.331 -1.197 18182 8522 1 14 . 1 1 31 31 SER HA H 689 4.460 4.460 4.364 0.096 18182 8523 1 14 . 1 1 31 31 SER C C 689 174.501 174.501 174.899 -0.398 18182 8524 1 14 . 1 1 31 31 SER CA C 689 58.559 58.559 59.054 -0.495 18182 8525 1 14 . 1 1 31 31 SER CB C 689 63.528 63.528 63.569 -0.041 18182 8526 1 14 . 1 1 31 31 SER H H 689 7.629 7.629 7.657 -0.028 18182 8527 1 14 . 1 1 32 32 HIS N N 690 120.218 120.218 121.277 -1.059 18182 8528 1 14 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.507 0.149 18182 8529 1 14 . 1 1 32 32 HIS C C 690 173.855 173.855 174.493 -0.638 18182 8530 1 14 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.559 -0.340 18182 8531 1 14 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.605 1.319 18182 8532 1 14 . 1 1 32 32 HIS H H 690 7.701 7.701 7.253 0.448 18182 8533 1 14 . 1 1 33 33 ALA N N 691 120.317 120.317 123.020 -2.703 18182 8534 1 14 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.556 -0.225 18182 8535 1 14 . 1 1 33 33 ALA C C 691 179.494 179.494 176.922 2.572 18182 8536 1 14 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.383 0.467 18182 8537 1 14 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.776 -0.731 18182 8538 1 14 . 1 1 33 33 ALA H H 691 8.453 8.453 8.644 -0.191 18182 8539 1 14 . 1 1 34 34 SER N N 692 117.274 117.274 115.383 1.891 18182 8540 1 14 . 1 1 34 34 SER HA H 692 4.089 4.089 4.252 -0.163 18182 8541 1 14 . 1 1 34 34 SER C C 692 175.336 175.336 175.389 -0.053 18182 8542 1 14 . 1 1 34 34 SER CA C 692 60.531 60.531 60.065 0.466 18182 8543 1 14 . 1 1 34 34 SER CB C 692 63.308 63.308 63.301 0.007 18182 8544 1 14 . 1 1 34 34 SER H H 692 8.997 8.997 8.610 0.387 18182 8545 1 14 . 1 1 35 35 GLY N N 693 113.573 113.573 114.544 -0.971 18182 8546 1 14 . 1 1 35 35 GLY C C 693 174.808 174.808 174.444 0.364 18182 8547 1 14 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.024 -0.165 18182 8548 1 14 . 1 1 35 35 GLY H H 693 9.926 9.926 9.079 0.847 18182 8549 1 14 . 1 1 36 36 THR N N 694 121.076 121.076 121.595 -0.519 18182 8550 1 14 . 1 1 36 36 THR HA H 694 5.962 5.962 5.008 0.954 18182 8551 1 14 . 1 1 36 36 THR C C 694 173.297 173.297 173.766 -0.469 18182 8552 1 14 . 1 1 36 36 THR CA C 694 63.612 63.612 65.089 -1.477 18182 8553 1 14 . 1 1 36 36 THR CB C 694 68.317 68.317 68.916 -0.599 18182 8554 1 14 . 1 1 36 36 THR H H 694 8.291 8.291 7.606 0.685 18182 8555 1 14 . 1 1 37 37 TYR N N 695 123.616 123.616 124.187 -0.571 18182 8556 1 14 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.453 0.588 18182 8557 1 14 . 1 1 37 37 TYR C C 695 171.831 171.831 173.187 -1.356 18182 8558 1 14 . 1 1 37 37 TYR CA C 695 55.305 55.305 55.069 0.236 18182 8559 1 14 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.769 2.590 18182 8560 1 14 . 1 1 37 37 TYR H H 695 8.805 8.805 8.911 -0.106 18182 8561 1 14 . 1 1 38 38 LEU N N 696 115.449 115.449 115.521 -0.072 18182 8562 1 14 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.306 -0.147 18182 8563 1 14 . 1 1 38 38 LEU C C 696 174.331 174.331 174.599 -0.268 18182 8564 1 14 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.725 -0.868 18182 8565 1 14 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.974 0.919 18182 8566 1 14 . 1 1 38 38 LEU H H 696 9.105 9.105 8.488 0.617 18182 8567 1 14 . 1 1 39 39 ILE N N 697 121.911 121.911 119.397 2.514 18182 8568 1 14 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.436 0.983 18182 8569 1 14 . 1 1 39 39 ILE C C 697 173.476 173.476 174.801 -1.325 18182 8570 1 14 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.063 -0.138 18182 8571 1 14 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.113 -1.184 18182 8572 1 14 . 1 1 39 39 ILE H H 697 9.313 9.313 8.034 1.279 18182 8573 1 14 . 1 1 40 40 ARG N N 698 122.878 122.878 123.138 -0.260 18182 8574 1 14 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.317 -0.025 18182 8575 1 14 . 1 1 40 40 ARG C C 698 174.308 174.308 174.728 -0.420 18182 8576 1 14 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.561 -1.817 18182 8577 1 14 . 1 1 40 40 ARG CB C 698 33.517 33.517 34.220 -0.703 18182 8578 1 14 . 1 1 40 40 ARG H H 698 9.185 9.185 9.162 0.023 18182 8579 1 14 . 1 1 41 41 GLU N N 699 122.405 122.405 121.380 1.025 18182 8580 1 14 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.839 0.058 18182 8581 1 14 . 1 1 41 41 GLU C C 699 176.242 176.242 174.952 1.290 18182 8582 1 14 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.479 0.047 18182 8583 1 14 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.463 -0.330 18182 8584 1 14 . 1 1 41 41 GLU H H 699 8.634 8.634 8.920 -0.286 18182 8585 1 14 . 1 1 42 42 ARG N N 700 125.045 125.045 125.312 -0.267 18182 8586 1 14 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.766 -0.072 18182 8587 1 14 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.079 0.494 18182 8588 1 14 . 1 1 42 42 ARG H H 700 8.639 8.639 8.542 0.097 18182 8589 1 14 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.415 -0.001 18182 8590 1 14 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.165 0.246 18182 8591 1 14 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.836 -1.338 18182 8592 1 14 . 1 1 44 44 ALA N N 702 122.925 122.925 126.199 -3.274 18182 8593 1 14 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.509 -0.187 18182 8594 1 14 . 1 1 44 44 ALA C C 702 176.610 176.610 176.845 -0.235 18182 8595 1 14 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.058 0.744 18182 8596 1 14 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.334 -0.943 18182 8597 1 14 . 1 1 44 44 ALA H H 702 7.888 7.888 7.926 -0.038 18182 8598 1 14 . 1 1 45 45 GLU N N 703 118.799 118.799 119.736 -0.937 18182 8599 1 14 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.298 -0.061 18182 8600 1 14 . 1 1 45 45 GLU C C 703 176.717 176.717 177.610 -0.893 18182 8601 1 14 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.868 -0.967 18182 8602 1 14 . 1 1 45 45 GLU CB C 703 30.086 30.086 30.057 0.029 18182 8603 1 14 . 1 1 45 45 GLU H H 703 7.947 7.947 8.956 -1.009 18182 8604 1 14 . 1 1 46 46 ALA N N 704 120.631 120.631 121.069 -0.438 18182 8605 1 14 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.362 0.053 18182 8606 1 14 . 1 1 46 46 ALA C C 704 178.411 178.411 176.402 2.009 18182 8607 1 14 . 1 1 46 46 ALA CA C 704 54.208 54.208 52.775 1.433 18182 8608 1 14 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.593 -0.350 18182 8609 1 14 . 1 1 46 46 ALA H H 704 8.643 8.643 7.883 0.760 18182 8610 1 14 . 1 1 47 47 GLU N N 705 119.341 119.341 117.888 1.453 18182 8611 1 14 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.728 0.128 18182 8612 1 14 . 1 1 47 47 GLU C C 705 176.013 176.013 175.755 0.258 18182 8613 1 14 . 1 1 47 47 GLU CA C 705 54.858 54.858 56.680 -1.822 18182 8614 1 14 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.021 -3.187 18182 8615 1 14 . 1 1 47 47 GLU H H 705 7.635 7.635 8.072 -0.437 18182 8616 1 14 . 1 1 48 48 ARG N N 706 120.355 120.355 121.163 -0.808 18182 8617 1 14 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.354 -0.389 18182 8618 1 14 . 1 1 48 48 ARG C C 706 175.117 175.117 175.193 -0.076 18182 8619 1 14 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.935 1.220 18182 8620 1 14 . 1 1 48 48 ARG CB C 706 31.691 31.691 32.895 -1.204 18182 8621 1 14 . 1 1 48 48 ARG H H 706 7.971 7.971 8.669 -0.698 18182 8622 1 14 . 1 1 49 49 PHE N N 707 112.251 112.251 114.804 -2.553 18182 8623 1 14 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.784 1.121 18182 8624 1 14 . 1 1 49 49 PHE C C 707 173.875 173.875 173.518 0.357 18182 8625 1 14 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.801 -1.992 18182 8626 1 14 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.617 -0.542 18182 8627 1 14 . 1 1 49 49 PHE H H 707 7.857 7.857 7.423 0.434 18182 8628 1 14 . 1 1 50 50 ALA N N 708 118.730 118.730 122.349 -3.619 18182 8629 1 14 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.234 0.220 18182 8630 1 14 . 1 1 50 50 ALA C C 708 176.479 176.479 175.526 0.953 18182 8631 1 14 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.260 -0.418 18182 8632 1 14 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.562 0.156 18182 8633 1 14 . 1 1 50 50 ALA H H 708 9.205 9.205 9.154 0.051 18182 8634 1 14 . 1 1 51 51 ILE N N 709 120.037 120.037 124.150 -4.113 18182 8635 1 14 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.463 0.283 18182 8636 1 14 . 1 1 51 51 ILE C C 709 175.120 175.120 175.184 -0.064 18182 8637 1 14 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.903 -0.180 18182 8638 1 14 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.163 0.137 18182 8639 1 14 . 1 1 51 51 ILE H H 709 9.262 9.262 9.128 0.134 18182 8640 1 14 . 1 1 52 52 SER N N 710 125.087 125.087 119.637 5.450 18182 8641 1 14 . 1 1 52 52 SER HA H 710 5.468 5.468 5.211 0.257 18182 8642 1 14 . 1 1 52 52 SER C C 710 172.060 172.060 172.546 -0.486 18182 8643 1 14 . 1 1 52 52 SER CA C 710 57.761 57.761 57.060 0.701 18182 8644 1 14 . 1 1 52 52 SER CB C 710 65.210 65.210 65.163 0.047 18182 8645 1 14 . 1 1 52 52 SER H H 710 9.205 9.205 8.971 0.234 18182 8646 1 14 . 1 1 53 53 ILE N N 711 121.753 121.753 125.228 -3.475 18182 8647 1 14 . 1 1 53 53 ILE HA H 711 5.195 5.195 4.836 0.359 18182 8648 1 14 . 1 1 53 53 ILE C C 711 173.070 173.070 172.974 0.096 18182 8649 1 14 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.108 -1.353 18182 8650 1 14 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.013 0.344 18182 8651 1 14 . 1 1 53 53 ILE H H 711 8.989 8.989 8.242 0.747 18182 8652 1 14 . 1 1 54 54 LYS N N 712 128.758 128.758 127.355 1.403 18182 8653 1 14 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.263 -0.476 18182 8654 1 14 . 1 1 54 54 LYS C C 712 174.899 174.899 174.816 0.083 18182 8655 1 14 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.719 -0.352 18182 8656 1 14 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.834 -0.476 18182 8657 1 14 . 1 1 54 54 LYS H H 712 8.894 8.894 8.698 0.196 18182 8658 1 14 . 1 1 55 55 PHE N N 713 130.369 130.369 127.042 3.327 18182 8659 1 14 . 1 1 55 55 PHE HA H 713 4.947 4.947 5.284 -0.337 18182 8660 1 14 . 1 1 55 55 PHE C C 713 174.238 174.238 174.584 -0.346 18182 8661 1 14 . 1 1 55 55 PHE CA C 713 58.165 58.165 56.351 1.814 18182 8662 1 14 . 1 1 55 55 PHE CB C 713 41.804 41.804 43.003 -1.199 18182 8663 1 14 . 1 1 55 55 PHE H H 713 9.464 9.464 9.174 0.290 18182 8664 1 14 . 1 1 56 56 ASN N N 714 125.719 125.719 126.275 -0.556 18182 8665 1 14 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.086 -0.145 18182 8666 1 14 . 1 1 56 56 ASN C C 714 174.003 174.003 174.652 -0.649 18182 8667 1 14 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.867 1.363 18182 8668 1 14 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.178 -1.038 18182 8669 1 14 . 1 1 56 56 ASN H H 714 8.411 8.411 8.578 -0.167 18182 8670 1 14 . 1 1 57 57 ASP N N 715 117.904 117.904 114.920 2.984 18182 8671 1 14 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.334 0.287 18182 8672 1 14 . 1 1 57 57 ASP C C 715 174.858 174.858 174.939 -0.081 18182 8673 1 14 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.047 -0.865 18182 8674 1 14 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.575 0.311 18182 8675 1 14 . 1 1 57 57 ASP H H 715 8.542 8.542 8.656 -0.114 18182 8676 1 14 . 1 1 58 58 GLU N N 716 118.707 118.707 116.716 1.991 18182 8677 1 14 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.669 0.041 18182 8678 1 14 . 1 1 58 58 GLU C C 716 173.755 173.755 174.625 -0.870 18182 8679 1 14 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.146 -0.099 18182 8680 1 14 . 1 1 58 58 GLU CB C 716 34.286 34.286 34.480 -0.194 18182 8681 1 14 . 1 1 58 58 GLU H H 716 7.889 7.889 7.708 0.181 18182 8682 1 14 . 1 1 59 59 VAL N N 717 120.720 120.720 123.024 -2.304 18182 8683 1 14 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.522 -0.092 18182 8684 1 14 . 1 1 59 59 VAL C C 717 175.071 175.071 175.888 -0.817 18182 8685 1 14 . 1 1 59 59 VAL CA C 717 62.139 62.139 61.684 0.455 18182 8686 1 14 . 1 1 59 59 VAL CB C 717 32.071 32.071 32.344 -0.273 18182 8687 1 14 . 1 1 59 59 VAL H H 717 8.536 8.536 8.541 -0.005 18182 8688 1 14 . 1 1 60 60 LYS N N 718 126.403 126.403 127.525 -1.122 18182 8689 1 14 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.658 -0.103 18182 8690 1 14 . 1 1 60 60 LYS C C 718 174.578 174.578 174.630 -0.052 18182 8691 1 14 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.845 -0.728 18182 8692 1 14 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.838 0.068 18182 8693 1 14 . 1 1 60 60 LYS H H 718 8.879 8.879 8.186 0.693 18182 8694 1 14 . 1 1 61 61 HIS N N 719 118.939 118.939 117.976 0.963 18182 8695 1 14 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.354 0.156 18182 8696 1 14 . 1 1 61 61 HIS C C 719 174.482 174.482 175.060 -0.578 18182 8697 1 14 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.214 0.204 18182 8698 1 14 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.848 2.401 18182 8699 1 14 . 1 1 61 61 HIS H H 719 8.846 8.846 8.396 0.450 18182 8700 1 14 . 1 1 62 62 ILE N N 720 124.690 124.690 124.309 0.381 18182 8701 1 14 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.311 0.197 18182 8702 1 14 . 1 1 62 62 ILE C C 720 176.221 176.221 174.531 1.690 18182 8703 1 14 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.581 -0.298 18182 8704 1 14 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.818 3.204 18182 8705 1 14 . 1 1 62 62 ILE H H 720 9.704 9.704 9.214 0.490 18182 8706 1 14 . 1 1 63 63 LYS N N 721 126.432 126.432 127.879 -1.447 18182 8707 1 14 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.757 -0.622 18182 8708 1 14 . 1 1 63 63 LYS C C 721 174.783 174.783 175.675 -0.892 18182 8709 1 14 . 1 1 63 63 LYS CA C 721 58.478 58.478 55.941 2.537 18182 8710 1 14 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.429 0.424 18182 8711 1 14 . 1 1 63 63 LYS H H 721 9.100 9.100 8.554 0.546 18182 8712 1 14 . 1 1 64 64 VAL N N 722 123.306 123.306 122.634 0.672 18182 8713 1 14 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.358 -0.100 18182 8714 1 14 . 1 1 64 64 VAL C C 722 174.284 174.284 174.504 -0.220 18182 8715 1 14 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.499 -0.206 18182 8716 1 14 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.470 -0.924 18182 8717 1 14 . 1 1 64 64 VAL H H 722 8.441 8.441 8.816 -0.375 18182 8718 1 14 . 1 1 65 65 VAL N N 723 126.508 126.508 127.626 -1.118 18182 8719 1 14 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.488 -0.206 18182 8720 1 14 . 1 1 65 65 VAL C C 723 174.127 174.127 174.852 -0.725 18182 8721 1 14 . 1 1 65 65 VAL CA C 723 61.600 61.600 61.067 0.533 18182 8722 1 14 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.738 -0.021 18182 8723 1 14 . 1 1 65 65 VAL H H 723 8.462 8.462 8.159 0.303 18182 8724 1 14 . 1 1 66 66 GLU N N 724 126.016 126.016 128.197 -2.181 18182 8725 1 14 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.960 0.266 18182 8726 1 14 . 1 1 66 66 GLU C C 724 175.409 175.409 175.162 0.247 18182 8727 1 14 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.301 -0.550 18182 8728 1 14 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.368 1.089 18182 8729 1 14 . 1 1 66 66 GLU H H 724 8.619 8.619 8.006 0.613 18182 8730 1 14 . 1 1 67 67 LYS N N 725 125.813 125.813 123.239 2.574 18182 8731 1 14 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.496 0.001 18182 8732 1 14 . 1 1 67 67 LYS C C 725 175.635 175.635 175.392 0.243 18182 8733 1 14 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.565 0.858 18182 8734 1 14 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.432 -0.134 18182 8735 1 14 . 1 1 67 67 LYS H H 725 8.740 8.740 8.011 0.729 18182 8736 1 14 . 1 1 68 68 ASP N N 726 126.958 126.958 121.485 5.473 18182 8737 1 14 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.313 -0.082 18182 8738 1 14 . 1 1 68 68 ASP C C 726 174.341 174.341 174.946 -0.605 18182 8739 1 14 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.473 0.780 18182 8740 1 14 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.685 -0.186 18182 8741 1 14 . 1 1 68 68 ASP H H 726 9.499 9.499 8.794 0.705 18182 8742 1 14 . 1 1 69 69 ASN N N 727 110.214 110.214 113.477 -3.263 18182 8743 1 14 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.070 0.195 18182 8744 1 14 . 1 1 69 69 ASN C C 727 173.779 173.779 173.006 0.773 18182 8745 1 14 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.247 0.442 18182 8746 1 14 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.287 0.201 18182 8747 1 14 . 1 1 69 69 ASN H H 727 8.348 8.348 8.470 -0.122 18182 8748 1 14 . 1 1 70 70 TRP N N 728 119.007 119.007 115.012 3.995 18182 8749 1 14 . 1 1 70 70 TRP HA H 728 5.390 5.390 4.890 0.500 18182 8750 1 14 . 1 1 70 70 TRP C C 728 174.779 174.779 174.605 0.174 18182 8751 1 14 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.571 1.255 18182 8752 1 14 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.391 1.164 18182 8753 1 14 . 1 1 70 70 TRP H H 728 8.063 8.063 7.337 0.726 18182 8754 1 14 . 1 1 71 71 ILE N N 729 122.016 122.016 121.262 0.754 18182 8755 1 14 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.526 1.074 18182 8756 1 14 . 1 1 71 71 ILE C C 729 175.184 175.184 173.832 1.352 18182 8757 1 14 . 1 1 71 71 ILE CA C 729 58.854 58.854 60.030 -1.176 18182 8758 1 14 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.140 1.456 18182 8759 1 14 . 1 1 71 71 ILE H H 729 9.378 9.378 9.230 0.148 18182 8760 1 14 . 1 1 72 72 HIS N N 730 121.306 121.306 124.672 -3.366 18182 8761 1 14 . 1 1 72 72 HIS HA H 730 5.218 5.218 4.996 0.222 18182 8762 1 14 . 1 1 72 72 HIS C C 730 173.714 173.714 174.174 -0.460 18182 8763 1 14 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.365 1.277 18182 8764 1 14 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.636 0.869 18182 8765 1 14 . 1 1 72 72 HIS H H 730 9.048 9.048 8.235 0.813 18182 8766 1 14 . 1 1 73 73 ILE N N 731 112.643 112.643 116.232 -3.589 18182 8767 1 14 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.621 0.316 18182 8768 1 14 . 1 1 73 73 ILE C C 731 175.442 175.442 175.840 -0.398 18182 8769 1 14 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.191 0.487 18182 8770 1 14 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.281 0.125 18182 8771 1 14 . 1 1 73 73 ILE H H 731 9.499 9.499 8.655 0.844 18182 8772 1 14 . 1 1 74 74 THR N N 732 115.752 115.752 113.030 2.722 18182 8773 1 14 . 1 1 74 74 THR HA H 732 4.812 4.812 4.468 0.344 18182 8774 1 14 . 1 1 74 74 THR C C 732 173.575 173.575 174.116 -0.541 18182 8775 1 14 . 1 1 74 74 THR CA C 732 58.650 58.650 60.636 -1.986 18182 8776 1 14 . 1 1 74 74 THR CB C 732 70.177 70.177 71.555 -1.378 18182 8777 1 14 . 1 1 74 74 THR H H 732 8.364 8.364 7.593 0.771 18182 8778 1 14 . 1 1 75 75 GLU N N 733 124.910 124.910 119.297 5.613 18182 8779 1 14 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.230 -1.257 18182 8780 1 14 . 1 1 75 75 GLU C C 733 175.609 175.609 176.074 -0.465 18182 8781 1 14 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.186 2.476 18182 8782 1 14 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.338 -0.375 18182 8783 1 14 . 1 1 75 75 GLU H H 733 8.754 8.754 8.693 0.061 18182 8784 1 14 . 1 1 76 76 ALA N N 734 117.847 117.847 121.641 -3.794 18182 8785 1 14 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.417 -0.477 18182 8786 1 14 . 1 1 76 76 ALA C C 734 177.033 177.033 177.486 -0.453 18182 8787 1 14 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.629 0.545 18182 8788 1 14 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.262 -0.769 18182 8789 1 14 . 1 1 76 76 ALA H H 734 7.538 7.538 7.435 0.103 18182 8790 1 14 . 1 1 77 77 LYS N N 735 119.518 119.518 119.818 -0.300 18182 8791 1 14 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.269 -0.158 18182 8792 1 14 . 1 1 77 77 LYS C C 735 171.953 171.953 174.128 -2.175 18182 8793 1 14 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.226 -0.527 18182 8794 1 14 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.990 -0.705 18182 8795 1 14 . 1 1 77 77 LYS H H 735 7.326 7.326 7.577 -0.251 18182 8796 1 14 . 1 1 78 78 LYS N N 736 123.200 123.200 120.153 3.047 18182 8797 1 14 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.312 0.419 18182 8798 1 14 . 1 1 78 78 LYS C C 736 175.123 175.123 174.888 0.235 18182 8799 1 14 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.776 0.334 18182 8800 1 14 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.328 0.642 18182 8801 1 14 . 1 1 78 78 LYS H H 736 7.893 7.893 7.703 0.190 18182 8802 1 14 . 1 1 79 79 PHE N N 737 117.916 117.916 118.310 -0.394 18182 8803 1 14 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.725 0.269 18182 8804 1 14 . 1 1 79 79 PHE C C 737 175.595 175.595 174.188 1.407 18182 8805 1 14 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.856 0.085 18182 8806 1 14 . 1 1 79 79 PHE CB C 737 43.413 43.413 43.844 -0.432 18182 8807 1 14 . 1 1 79 79 PHE H H 737 9.121 9.121 8.159 0.962 18182 8808 1 14 . 1 1 80 80 ASP N N 738 119.341 119.341 117.804 1.537 18182 8809 1 14 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.196 -0.447 18182 8810 1 14 . 1 1 80 80 ASP C C 738 176.035 176.035 175.661 0.374 18182 8811 1 14 . 1 1 80 80 ASP CA C 738 55.712 55.712 53.384 2.328 18182 8812 1 14 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.431 0.278 18182 8813 1 14 . 1 1 80 80 ASP H H 738 9.377 9.377 9.029 0.348 18182 8814 1 14 . 1 1 81 81 SER N N 739 108.518 108.518 112.275 -3.757 18182 8815 1 14 . 1 1 81 81 SER HA H 739 4.694 4.694 4.670 0.024 18182 8816 1 14 . 1 1 81 81 SER C C 739 173.791 173.791 174.373 -0.582 18182 8817 1 14 . 1 1 81 81 SER CA C 739 57.049 57.049 57.790 -0.741 18182 8818 1 14 . 1 1 81 81 SER CB C 739 66.839 66.839 66.064 0.775 18182 8819 1 14 . 1 1 81 81 SER H H 739 7.447 7.447 7.624 -0.177 18182 8820 1 14 . 1 1 82 82 LEU N N 740 122.626 122.626 123.612 -0.986 18182 8821 1 14 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.069 -0.258 18182 8822 1 14 . 1 1 82 82 LEU C C 740 177.172 177.172 177.621 -0.449 18182 8823 1 14 . 1 1 82 82 LEU CA C 740 57.469 57.469 57.952 -0.483 18182 8824 1 14 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.685 -0.867 18182 8825 1 14 . 1 1 82 82 LEU H H 740 8.969 8.969 8.797 0.172 18182 8826 1 14 . 1 1 83 83 LEU N N 741 116.575 116.575 118.757 -2.182 18182 8827 1 14 . 1 1 83 83 LEU HA H 741 3.837 3.837 4.069 -0.232 18182 8828 1 14 . 1 1 83 83 LEU C C 741 177.492 177.492 179.091 -1.599 18182 8829 1 14 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.241 0.023 18182 8830 1 14 . 1 1 83 83 LEU CB C 741 41.929 41.929 40.785 1.144 18182 8831 1 14 . 1 1 83 83 LEU H H 741 7.770 7.770 7.787 -0.017 18182 8832 1 14 . 1 1 84 84 GLU N N 742 116.865 116.865 119.515 -2.650 18182 8833 1 14 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.976 -0.058 18182 8834 1 14 . 1 1 84 84 GLU C C 742 178.252 178.252 178.898 -0.646 18182 8835 1 14 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.593 -0.202 18182 8836 1 14 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.136 1.323 18182 8837 1 14 . 1 1 84 84 GLU H H 742 7.585 7.585 7.727 -0.142 18182 8838 1 14 . 1 1 85 85 LEU N N 743 122.164 122.164 119.822 2.342 18182 8839 1 14 . 1 1 85 85 LEU HA H 743 2.028 2.028 3.085 -1.057 18182 8840 1 14 . 1 1 85 85 LEU C C 743 177.335 177.335 178.578 -1.243 18182 8841 1 14 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.644 1.127 18182 8842 1 14 . 1 1 85 85 LEU CB C 743 41.827 41.827 42.026 -0.199 18182 8843 1 14 . 1 1 85 85 LEU H H 743 7.109 7.109 7.119 -0.010 18182 8844 1 14 . 1 1 86 86 VAL N N 744 119.760 119.760 119.210 0.550 18182 8845 1 14 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.453 -0.600 18182 8846 1 14 . 1 1 86 86 VAL C C 744 177.675 177.675 178.188 -0.513 18182 8847 1 14 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.391 0.722 18182 8848 1 14 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.852 0.259 18182 8849 1 14 . 1 1 86 86 VAL H H 744 8.113 8.113 8.271 -0.158 18182 8850 1 14 . 1 1 87 87 GLU N N 745 116.227 116.227 118.991 -2.764 18182 8851 1 14 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.838 -0.076 18182 8852 1 14 . 1 1 87 87 GLU C C 745 179.530 179.530 179.202 0.328 18182 8853 1 14 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.731 -0.293 18182 8854 1 14 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.468 -0.316 18182 8855 1 14 . 1 1 87 87 GLU H H 745 8.182 8.182 8.423 -0.241 18182 8856 1 14 . 1 1 88 88 TYR N N 746 120.102 120.102 120.272 -0.170 18182 8857 1 14 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.151 -0.004 18182 8858 1 14 . 1 1 88 88 TYR C C 746 179.970 179.970 178.214 1.756 18182 8859 1 14 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.372 0.358 18182 8860 1 14 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.564 0.324 18182 8861 1 14 . 1 1 88 88 TYR H H 746 7.795 7.795 7.819 -0.024 18182 8862 1 14 . 1 1 89 89 TYR N N 747 118.508 118.508 117.960 0.548 18182 8863 1 14 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.563 0.538 18182 8864 1 14 . 1 1 89 89 TYR C C 747 175.885 175.885 178.428 -2.543 18182 8865 1 14 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.056 0.121 18182 8866 1 14 . 1 1 89 89 TYR CB C 747 37.043 37.043 38.219 -1.177 18182 8867 1 14 . 1 1 89 89 TYR H H 747 7.798 7.798 8.137 -0.339 18182 8868 1 14 . 1 1 90 90 GLN N N 748 118.741 118.741 118.780 -0.039 18182 8869 1 14 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.828 0.592 18182 8870 1 14 . 1 1 90 90 GLN C C 748 177.767 177.767 176.521 1.246 18182 8871 1 14 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.624 -0.753 18182 8872 1 14 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.591 0.082 18182 8873 1 14 . 1 1 90 90 GLN H H 748 7.925 7.925 8.221 -0.296 18182 8874 1 14 . 1 1 91 91 CYS N N 749 111.312 111.312 114.242 -2.930 18182 8875 1 14 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.411 0.230 18182 8876 1 14 . 1 1 91 91 CYS C C 749 173.010 173.010 175.243 -2.233 18182 8877 1 14 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.478 -1.943 18182 8878 1 14 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.698 -0.519 18182 8879 1 14 . 1 1 91 91 CYS H H 749 7.178 7.178 7.340 -0.162 18182 8880 1 14 . 1 1 92 92 HIS N N 750 120.386 120.386 118.911 1.475 18182 8881 1 14 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.580 -0.212 18182 8882 1 14 . 1 1 92 92 HIS C C 750 171.815 171.815 174.511 -2.696 18182 8883 1 14 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.428 -0.260 18182 8884 1 14 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.683 -1.377 18182 8885 1 14 . 1 1 92 92 HIS H H 750 7.540 7.540 7.953 -0.413 18182 8886 1 14 . 1 1 93 93 SER N N 751 113.259 113.259 117.312 -4.053 18182 8887 1 14 . 1 1 93 93 SER HA H 751 3.812 3.812 4.283 -0.471 18182 8888 1 14 . 1 1 93 93 SER C C 751 176.644 176.644 176.101 0.543 18182 8889 1 14 . 1 1 93 93 SER CA C 751 58.040 58.040 57.950 0.090 18182 8890 1 14 . 1 1 93 93 SER CB C 751 62.954 62.954 63.906 -0.952 18182 8891 1 14 . 1 1 93 93 SER H H 751 8.397 8.397 8.708 -0.311 18182 8892 1 14 . 1 1 94 94 LEU N N 752 127.166 127.166 126.927 0.239 18182 8893 1 14 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.424 -0.284 18182 8894 1 14 . 1 1 94 94 LEU C C 752 177.462 177.462 177.965 -0.503 18182 8895 1 14 . 1 1 94 94 LEU CA C 752 58.300 58.300 57.115 1.185 18182 8896 1 14 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.687 0.645 18182 8897 1 14 . 1 1 94 94 LEU H H 752 8.580 8.580 8.468 0.112 18182 8898 1 14 . 1 1 95 95 LYS N N 753 122.119 122.119 119.023 3.096 18182 8899 1 14 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.453 -0.013 18182 8900 1 14 . 1 1 95 95 LYS C C 753 176.253 176.253 179.002 -2.749 18182 8901 1 14 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.746 -1.517 18182 8902 1 14 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.622 0.722 18182 8903 1 14 . 1 1 95 95 LYS H H 753 8.322 8.322 7.559 0.763 18182 8904 1 14 . 1 1 96 96 GLU N N 754 115.310 115.310 118.825 -3.515 18182 8905 1 14 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.011 0.126 18182 8906 1 14 . 1 1 96 96 GLU C C 754 176.704 176.704 178.043 -1.339 18182 8907 1 14 . 1 1 96 96 GLU CA C 754 58.489 58.489 59.122 -0.633 18182 8908 1 14 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.428 0.249 18182 8909 1 14 . 1 1 96 96 GLU H H 754 7.197 7.197 7.918 -0.721 18182 8910 1 14 . 1 1 97 97 SER N N 755 113.390 113.390 114.478 -1.088 18182 8911 1 14 . 1 1 97 97 SER HA H 755 4.583 4.583 4.341 0.242 18182 8912 1 14 . 1 1 97 97 SER C C 755 171.185 171.185 175.194 -4.009 18182 8913 1 14 . 1 1 97 97 SER CA C 755 59.569 59.569 59.689 -0.120 18182 8914 1 14 . 1 1 97 97 SER CB C 755 66.435 66.435 64.040 2.395 18182 8915 1 14 . 1 1 97 97 SER H H 755 7.857 7.857 7.848 0.009 18182 8916 1 14 . 1 1 98 98 PHE N N 756 121.328 121.328 122.432 -1.104 18182 8917 1 14 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.725 0.040 18182 8918 1 14 . 1 1 98 98 PHE C C 756 175.774 175.774 176.165 -0.391 18182 8919 1 14 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.450 0.421 18182 8920 1 14 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.233 1.478 18182 8921 1 14 . 1 1 98 98 PHE H H 756 8.409 8.409 7.901 0.508 18182 8922 1 14 . 1 1 99 99 LYS N N 757 121.656 121.656 125.484 -3.828 18182 8923 1 14 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.180 -0.067 18182 8924 1 14 . 1 1 99 99 LYS C C 757 177.188 177.188 178.096 -0.908 18182 8925 1 14 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.022 0.714 18182 8926 1 14 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.104 0.252 18182 8927 1 14 . 1 1 99 99 LYS H H 757 8.602 8.602 8.703 -0.101 18182 8928 1 14 . 1 1 100 100 GLN N N 758 115.783 115.783 116.640 -0.857 18182 8929 1 14 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.235 0.148 18182 8930 1 14 . 1 1 100 100 GLN C C 758 175.849 175.849 176.413 -0.564 18182 8931 1 14 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.533 -1.701 18182 8932 1 14 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.061 -0.744 18182 8933 1 14 . 1 1 100 100 GLN H H 758 9.139 9.139 8.470 0.669 18182 8934 1 14 . 1 1 101 101 LEU N N 759 124.876 124.876 118.979 5.897 18182 8935 1 14 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.638 -0.946 18182 8936 1 14 . 1 1 101 101 LEU C C 759 173.219 173.219 175.739 -2.520 18182 8937 1 14 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.789 -2.341 18182 8938 1 14 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.906 -1.918 18182 8939 1 14 . 1 1 101 101 LEU H H 759 7.924 7.924 7.686 0.238 18182 8940 1 14 . 1 1 102 102 ASP N N 760 119.263 119.263 117.479 1.784 18182 8941 1 14 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.752 -0.185 18182 8942 1 14 . 1 1 102 102 ASP C C 760 173.570 173.570 174.483 -0.913 18182 8943 1 14 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.690 -1.815 18182 8944 1 14 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.871 -2.842 18182 8945 1 14 . 1 1 102 102 ASP H H 760 6.564 6.564 8.431 -1.867 18182 8946 1 14 . 1 1 103 103 THR N N 761 117.311 117.311 113.334 3.977 18182 8947 1 14 . 1 1 103 103 THR HA H 761 4.701 4.701 4.312 0.389 18182 8948 1 14 . 1 1 103 103 THR C C 761 172.169 172.169 172.369 -0.200 18182 8949 1 14 . 1 1 103 103 THR CA C 761 60.491 60.491 60.570 -0.079 18182 8950 1 14 . 1 1 103 103 THR CB C 761 69.358 69.358 69.704 -0.346 18182 8951 1 14 . 1 1 103 103 THR H H 761 7.699 7.699 7.564 0.135 18182 8952 1 14 . 1 1 104 104 THR N N 762 114.211 114.211 112.200 2.011 18182 8953 1 14 . 1 1 104 104 THR HA H 762 4.603 4.603 4.461 0.142 18182 8954 1 14 . 1 1 104 104 THR C C 762 175.647 175.647 173.467 2.180 18182 8955 1 14 . 1 1 104 104 THR CA C 762 60.899 60.899 59.853 1.046 18182 8956 1 14 . 1 1 104 104 THR CB C 762 70.981 70.981 71.695 -0.714 18182 8957 1 14 . 1 1 104 104 THR H H 762 7.300 7.300 7.991 -0.691 18182 8958 1 14 . 1 1 105 105 LEU N N 763 117.640 117.640 121.867 -4.227 18182 8959 1 14 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.702 -0.179 18182 8960 1 14 . 1 1 105 105 LEU C C 763 174.500 174.500 176.183 -1.683 18182 8961 1 14 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.909 -0.754 18182 8962 1 14 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.201 -3.454 18182 8963 1 14 . 1 1 105 105 LEU H H 763 8.113 8.113 8.525 -0.412 18182 8964 1 14 . 1 1 106 106 LYS N N 764 127.345 127.345 122.460 4.885 18182 8965 1 14 . 1 1 106 106 LYS HA H 764 4.011 4.011 3.960 0.051 18182 8966 1 14 . 1 1 106 106 LYS C C 764 176.781 176.781 176.601 0.180 18182 8967 1 14 . 1 1 106 106 LYS CA C 764 59.888 59.888 57.483 2.405 18182 8968 1 14 . 1 1 106 106 LYS CB C 764 35.223 35.223 33.437 1.786 18182 8969 1 14 . 1 1 106 106 LYS H H 764 7.181 7.181 7.998 -0.817 18182 8970 1 14 . 1 1 107 107 TYR N N 765 115.756 115.756 116.794 -1.038 18182 8971 1 14 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.966 0.555 18182 8972 1 14 . 1 1 107 107 TYR C C 765 172.106 172.106 172.766 -0.660 18182 8973 1 14 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.125 -2.504 18182 8974 1 14 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.978 1.540 18182 8975 1 14 . 1 1 107 107 TYR H H 765 7.877 7.877 7.697 0.180 18182 8976 1 14 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.107 -0.434 18182 8977 1 14 . 1 1 108 108 PRO C C 766 180.696 180.696 177.041 3.655 18182 8978 1 14 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.794 0.818 18182 8979 1 14 . 1 1 109 109 TYR N N 767 122.570 122.570 115.468 7.102 18182 8980 1 14 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.315 -0.498 18182 8981 1 14 . 1 1 109 109 TYR C C 767 174.769 174.769 177.240 -2.471 18182 8982 1 14 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.520 1.663 18182 8983 1 14 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.044 -0.577 18182 8984 1 14 . 1 1 109 109 TYR H H 767 8.341 8.341 8.197 0.144 18182 8985 1 14 . 1 1 110 110 LYS N N 768 118.398 118.398 118.703 -0.305 18182 8986 1 14 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.926 0.016 18182 8987 1 14 . 1 1 110 110 LYS C C 768 176.453 176.453 176.286 0.167 18182 8988 1 14 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.091 -0.190 18182 8989 1 14 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.157 0.424 18182 8990 1 14 . 1 1 110 110 LYS H H 768 6.790 6.790 7.177 -0.387 18182 8991 1 14 . 1 1 111 111 SER N N 769 114.260 114.260 112.434 1.826 18182 8992 1 14 . 1 1 111 111 SER HA H 769 4.384 4.384 4.204 0.180 18182 8993 1 14 . 1 1 111 111 SER C C 769 174.124 174.124 173.694 0.430 18182 8994 1 14 . 1 1 111 111 SER CA C 769 58.802 58.802 57.966 0.836 18182 8995 1 14 . 1 1 111 111 SER CB C 769 64.206 64.206 63.427 0.779 18182 8996 1 14 . 1 1 111 111 SER H H 769 7.769 7.769 7.991 -0.222 18182 8997 1 14 . 1 1 112 112 ARG N N 770 122.485 122.485 123.808 -1.323 18182 8998 1 14 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.172 0.206 18182 8999 1 14 . 1 1 112 112 ARG C C 770 175.139 175.139 176.575 -1.436 18182 9000 1 14 . 1 1 112 112 ARG CA C 770 55.628 55.628 56.599 -0.971 18182 9001 1 14 . 1 1 112 112 ARG CB C 770 30.935 30.935 29.436 1.499 18182 9002 1 14 . 1 1 112 112 ARG H H 770 8.109 8.109 8.588 -0.479 18182 9003 1 15 . 1 1 2 2 ARG N N 660 123.565 123.565 123.280 0.285 18182 9004 1 15 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.267 0.363 18182 9005 1 15 . 1 1 2 2 ARG C C 660 173.529 173.529 173.839 -0.310 18182 9006 1 15 . 1 1 2 2 ARG CA C 660 53.869 53.869 55.960 -2.091 18182 9007 1 15 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.722 0.706 18182 9008 1 15 . 1 1 2 2 ARG H H 660 8.295 8.295 8.384 -0.089 18182 9009 1 15 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.727 -0.055 18182 9010 1 15 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.501 -0.089 18182 9011 1 15 . 1 1 4 4 PRO C C 662 177.096 177.096 176.210 0.886 18182 9012 1 15 . 1 1 4 4 PRO CA C 662 63.296 63.296 64.104 -0.808 18182 9013 1 15 . 1 1 4 4 PRO CB C 662 32.022 32.022 31.935 0.087 18182 9014 1 15 . 1 1 5 5 SER N N 663 116.025 116.025 115.961 0.064 18182 9015 1 15 . 1 1 5 5 SER HA H 663 4.374 4.374 4.657 -0.283 18182 9016 1 15 . 1 1 5 5 SER C C 663 174.815 174.815 173.546 1.269 18182 9017 1 15 . 1 1 5 5 SER CA C 663 58.797 58.797 57.627 1.170 18182 9018 1 15 . 1 1 5 5 SER CB C 663 64.024 64.024 64.671 -0.647 18182 9019 1 15 . 1 1 5 5 SER H H 663 8.406 8.406 8.233 0.173 18182 9020 1 15 . 1 1 6 6 ARG N N 664 122.062 122.062 121.655 0.407 18182 9021 1 15 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.479 -0.100 18182 9022 1 15 . 1 1 6 6 ARG C C 664 175.958 175.958 175.719 0.239 18182 9023 1 15 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.078 0.059 18182 9024 1 15 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.807 -0.095 18182 9025 1 15 . 1 1 6 6 ARG H H 664 8.371 8.371 8.259 0.112 18182 9026 1 15 . 1 1 7 7 GLU N N 665 122.160 122.160 118.447 3.713 18182 9027 1 15 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.145 0.168 18182 9028 1 15 . 1 1 7 7 GLU C C 665 175.842 175.842 175.275 0.567 18182 9029 1 15 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.878 -0.468 18182 9030 1 15 . 1 1 7 7 GLU CB C 665 29.972 29.972 29.409 0.563 18182 9031 1 15 . 1 1 7 7 GLU H H 665 8.352 8.352 8.611 -0.259 18182 9032 1 15 . 1 1 8 8 ILE N N 666 123.828 123.828 124.197 -0.369 18182 9033 1 15 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.163 -0.323 18182 9034 1 15 . 1 1 8 8 ILE C C 666 174.373 174.373 175.180 -0.807 18182 9035 1 15 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.696 0.231 18182 9036 1 15 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.772 0.769 18182 9037 1 15 . 1 1 8 8 ILE H H 666 7.938 7.938 8.481 -0.543 18182 9038 1 15 . 1 1 9 9 ASP N N 667 124.338 124.338 128.562 -4.224 18182 9039 1 15 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.778 -0.159 18182 9040 1 15 . 1 1 9 9 ASP C C 667 177.006 177.006 176.457 0.549 18182 9041 1 15 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.522 -1.470 18182 9042 1 15 . 1 1 9 9 ASP CB C 667 40.364 40.364 39.831 0.533 18182 9043 1 15 . 1 1 9 9 ASP H H 667 8.111 8.111 8.879 -0.768 18182 9044 1 15 . 1 1 10 10 TYR N N 668 125.199 125.199 122.123 3.076 18182 9045 1 15 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.456 -0.268 18182 9046 1 15 . 1 1 10 10 TYR C C 668 175.947 175.947 177.278 -1.331 18182 9047 1 15 . 1 1 10 10 TYR CA C 668 60.683 60.683 61.242 -0.559 18182 9048 1 15 . 1 1 10 10 TYR CB C 668 36.236 36.236 38.367 -2.131 18182 9049 1 15 . 1 1 10 10 TYR H H 668 8.495 8.495 7.973 0.522 18182 9050 1 15 . 1 1 11 11 THR N N 669 108.617 108.617 109.964 -1.347 18182 9051 1 15 . 1 1 11 11 THR HA H 669 4.148 4.148 3.009 1.139 18182 9052 1 15 . 1 1 11 11 THR C C 669 175.184 175.184 174.986 0.198 18182 9053 1 15 . 1 1 11 11 THR CA C 669 65.022 65.022 63.569 1.453 18182 9054 1 15 . 1 1 11 11 THR CB C 669 69.280 69.280 67.998 1.282 18182 9055 1 15 . 1 1 11 11 THR H H 669 8.011 8.011 7.800 0.211 18182 9056 1 15 . 1 1 12 12 ALA N N 670 121.275 121.275 123.480 -2.205 18182 9057 1 15 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.985 0.091 18182 9058 1 15 . 1 1 12 12 ALA C C 670 177.815 177.815 177.816 -0.001 18182 9059 1 15 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.865 -0.309 18182 9060 1 15 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.626 0.248 18182 9061 1 15 . 1 1 12 12 ALA H H 670 7.411 7.411 7.128 0.283 18182 9062 1 15 . 1 1 13 13 TYR N N 671 117.883 117.883 117.546 0.337 18182 9063 1 15 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.200 0.101 18182 9064 1 15 . 1 1 13 13 TYR C C 671 176.698 176.698 175.557 1.141 18182 9065 1 15 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.269 0.717 18182 9066 1 15 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.081 -0.266 18182 9067 1 15 . 1 1 13 13 TYR H H 671 7.538 7.538 7.208 0.330 18182 9068 1 15 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.226 0.130 18182 9069 1 15 . 1 1 14 14 PRO C C 672 173.452 173.452 176.462 -3.010 18182 9070 1 15 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.243 0.080 18182 9071 1 15 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.993 -0.770 18182 9072 1 15 . 1 1 15 15 TRP N N 673 110.044 110.044 113.373 -3.329 18182 9073 1 15 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.784 0.008 18182 9074 1 15 . 1 1 15 15 TRP C C 673 175.577 175.577 174.717 0.860 18182 9075 1 15 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.690 -1.533 18182 9076 1 15 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.747 3.626 18182 9077 1 15 . 1 1 15 15 TRP H H 673 6.229 6.229 7.111 -0.882 18182 9078 1 15 . 1 1 16 16 PHE N N 674 123.205 123.205 123.641 -0.436 18182 9079 1 15 . 1 1 16 16 PHE HA H 674 5.171 5.171 5.168 0.003 18182 9080 1 15 . 1 1 16 16 PHE C C 674 174.832 174.832 174.368 0.464 18182 9081 1 15 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.854 3.018 18182 9082 1 15 . 1 1 16 16 PHE CB C 674 40.208 40.208 39.688 0.520 18182 9083 1 15 . 1 1 16 16 PHE H H 674 7.625 7.625 7.394 0.231 18182 9084 1 15 . 1 1 17 17 ALA N N 675 130.669 130.669 130.639 0.030 18182 9085 1 15 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.918 0.030 18182 9086 1 15 . 1 1 17 17 ALA C C 675 177.266 177.266 176.407 0.859 18182 9087 1 15 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.028 1.240 18182 9088 1 15 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.827 0.601 18182 9089 1 15 . 1 1 17 17 ALA H H 675 9.097 9.097 8.642 0.455 18182 9090 1 15 . 1 1 18 18 GLY C C 676 174.230 174.230 174.363 -0.133 18182 9091 1 15 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.245 2.686 18182 9092 1 15 . 1 1 19 19 ASN N N 677 124.910 124.910 120.425 4.485 18182 9093 1 15 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.797 0.097 18182 9094 1 15 . 1 1 19 19 ASN C C 677 174.597 174.597 174.841 -0.244 18182 9095 1 15 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.256 -0.314 18182 9096 1 15 . 1 1 19 19 ASN CB C 677 36.959 36.959 36.986 -0.027 18182 9097 1 15 . 1 1 19 19 ASN H H 677 8.682 8.682 8.501 0.181 18182 9098 1 15 . 1 1 20 20 MET N N 678 122.347 122.347 122.433 -0.086 18182 9099 1 15 . 1 1 20 20 MET HA H 678 4.115 4.115 4.500 -0.385 18182 9100 1 15 . 1 1 20 20 MET C C 678 175.451 175.451 174.900 0.551 18182 9101 1 15 . 1 1 20 20 MET CA C 678 56.675 56.675 55.440 1.236 18182 9102 1 15 . 1 1 20 20 MET CB C 678 35.208 35.208 34.143 1.065 18182 9103 1 15 . 1 1 20 20 MET H H 678 7.006 7.006 7.829 -0.823 18182 9104 1 15 . 1 1 21 21 GLU N N 679 124.989 124.989 119.044 5.945 18182 9105 1 15 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.477 -0.186 18182 9106 1 15 . 1 1 21 21 GLU C C 679 178.232 178.232 177.451 0.781 18182 9107 1 15 . 1 1 21 21 GLU CA C 679 56.127 56.127 54.992 1.135 18182 9108 1 15 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.279 -0.347 18182 9109 1 15 . 1 1 21 21 GLU H H 679 8.761 8.761 8.467 0.294 18182 9110 1 15 . 1 1 22 22 ARG N N 680 125.521 125.521 122.969 2.552 18182 9111 1 15 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.954 -0.618 18182 9112 1 15 . 1 1 22 22 ARG C C 680 177.707 177.707 178.062 -0.355 18182 9113 1 15 . 1 1 22 22 ARG CA C 680 61.044 61.044 61.021 0.023 18182 9114 1 15 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.159 -0.102 18182 9115 1 15 . 1 1 22 22 ARG H H 680 9.406 9.406 8.900 0.506 18182 9116 1 15 . 1 1 23 23 GLN N N 681 117.320 117.320 118.319 -0.999 18182 9117 1 15 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.114 -0.049 18182 9118 1 15 . 1 1 23 23 GLN C C 681 178.317 178.317 178.234 0.083 18182 9119 1 15 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.744 1.007 18182 9120 1 15 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.847 -0.063 18182 9121 1 15 . 1 1 23 23 GLN H H 681 9.048 9.048 8.662 0.386 18182 9122 1 15 . 1 1 24 24 GLN N N 682 117.909 117.909 119.821 -1.912 18182 9123 1 15 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.238 -0.117 18182 9124 1 15 . 1 1 24 24 GLN C C 682 178.190 178.190 178.548 -0.358 18182 9125 1 15 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.767 -0.024 18182 9126 1 15 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.404 -0.089 18182 9127 1 15 . 1 1 24 24 GLN H H 682 7.182 7.182 8.258 -1.076 18182 9128 1 15 . 1 1 25 25 THR N N 683 117.007 117.007 116.819 0.188 18182 9129 1 15 . 1 1 25 25 THR HA H 683 3.681 3.681 3.960 -0.279 18182 9130 1 15 . 1 1 25 25 THR C C 683 175.786 175.786 176.717 -0.931 18182 9131 1 15 . 1 1 25 25 THR CA C 683 67.702 67.702 67.493 0.209 18182 9132 1 15 . 1 1 25 25 THR CB C 683 68.000 68.000 68.041 -0.041 18182 9133 1 15 . 1 1 25 25 THR H H 683 7.903 7.903 8.486 -0.583 18182 9134 1 15 . 1 1 26 26 ASP N N 684 122.824 122.824 120.547 2.277 18182 9135 1 15 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.415 -0.135 18182 9136 1 15 . 1 1 26 26 ASP C C 684 178.269 178.269 178.224 0.045 18182 9137 1 15 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.665 0.471 18182 9138 1 15 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.984 -0.806 18182 9139 1 15 . 1 1 26 26 ASP H H 684 8.430 8.430 8.296 0.134 18182 9140 1 15 . 1 1 27 27 ASN N N 685 115.634 115.634 119.026 -3.392 18182 9141 1 15 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.585 -0.226 18182 9142 1 15 . 1 1 27 27 ASN C C 685 177.065 177.065 178.130 -1.065 18182 9143 1 15 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.565 0.346 18182 9144 1 15 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.591 -0.085 18182 9145 1 15 . 1 1 27 27 ASN H H 685 7.647 7.647 7.657 -0.010 18182 9146 1 15 . 1 1 28 28 LEU N N 686 120.594 120.594 121.945 -1.351 18182 9147 1 15 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.120 0.109 18182 9148 1 15 . 1 1 28 28 LEU C C 686 179.502 179.502 178.882 0.620 18182 9149 1 15 . 1 1 28 28 LEU CA C 686 57.980 57.980 57.988 -0.008 18182 9150 1 15 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.309 0.794 18182 9151 1 15 . 1 1 28 28 LEU H H 686 8.093 8.093 8.602 -0.509 18182 9152 1 15 . 1 1 29 29 LEU N N 687 115.149 115.149 117.280 -2.131 18182 9153 1 15 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.275 -0.193 18182 9154 1 15 . 1 1 29 29 LEU C C 687 178.910 178.910 178.889 0.021 18182 9155 1 15 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.341 0.576 18182 9156 1 15 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.503 1.395 18182 9157 1 15 . 1 1 29 29 LEU H H 687 8.386 8.386 7.908 0.478 18182 9158 1 15 . 1 1 30 30 LYS N N 688 118.086 118.086 121.082 -2.996 18182 9159 1 15 . 1 1 30 30 LYS HA H 688 3.738 3.738 3.944 -0.206 18182 9160 1 15 . 1 1 30 30 LYS C C 688 177.312 177.312 178.856 -1.544 18182 9161 1 15 . 1 1 30 30 LYS CA C 688 60.509 60.509 60.014 0.495 18182 9162 1 15 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.449 -0.359 18182 9163 1 15 . 1 1 30 30 LYS H H 688 7.752 7.752 7.950 -0.198 18182 9164 1 15 . 1 1 31 31 SER N N 689 111.134 111.134 112.617 -1.483 18182 9165 1 15 . 1 1 31 31 SER HA H 689 4.460 4.460 4.291 0.169 18182 9166 1 15 . 1 1 31 31 SER C C 689 174.501 174.501 175.359 -0.858 18182 9167 1 15 . 1 1 31 31 SER CA C 689 58.559 58.559 59.779 -1.220 18182 9168 1 15 . 1 1 31 31 SER CB C 689 63.528 63.528 63.369 0.159 18182 9169 1 15 . 1 1 31 31 SER H H 689 7.629 7.629 7.638 -0.009 18182 9170 1 15 . 1 1 32 32 HIS N N 690 120.218 120.218 122.416 -2.198 18182 9171 1 15 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.470 0.186 18182 9172 1 15 . 1 1 32 32 HIS C C 690 173.855 173.855 174.348 -0.493 18182 9173 1 15 . 1 1 32 32 HIS CA C 690 56.219 56.219 57.282 -1.063 18182 9174 1 15 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.873 1.051 18182 9175 1 15 . 1 1 32 32 HIS H H 690 7.701 7.701 7.637 0.064 18182 9176 1 15 . 1 1 33 33 ALA N N 691 120.317 120.317 122.789 -2.472 18182 9177 1 15 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.575 -0.244 18182 9178 1 15 . 1 1 33 33 ALA C C 691 179.494 179.494 176.982 2.512 18182 9179 1 15 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.122 0.728 18182 9180 1 15 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.736 -0.691 18182 9181 1 15 . 1 1 33 33 ALA H H 691 8.453 8.453 8.648 -0.195 18182 9182 1 15 . 1 1 34 34 SER N N 692 117.274 117.274 115.120 2.154 18182 9183 1 15 . 1 1 34 34 SER HA H 692 4.089 4.089 4.432 -0.343 18182 9184 1 15 . 1 1 34 34 SER C C 692 175.336 175.336 175.828 -0.492 18182 9185 1 15 . 1 1 34 34 SER CA C 692 60.531 60.531 59.815 0.716 18182 9186 1 15 . 1 1 34 34 SER CB C 692 63.308 63.308 63.219 0.089 18182 9187 1 15 . 1 1 34 34 SER H H 692 8.997 8.997 8.435 0.562 18182 9188 1 15 . 1 1 35 35 GLY N N 693 113.573 113.573 113.242 0.331 18182 9189 1 15 . 1 1 35 35 GLY C C 693 174.808 174.808 173.639 1.169 18182 9190 1 15 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.025 -0.166 18182 9191 1 15 . 1 1 35 35 GLY H H 693 9.926 9.926 9.077 0.849 18182 9192 1 15 . 1 1 36 36 THR N N 694 121.076 121.076 117.995 3.081 18182 9193 1 15 . 1 1 36 36 THR HA H 694 5.962 5.962 5.780 0.182 18182 9194 1 15 . 1 1 36 36 THR C C 694 173.297 173.297 173.632 -0.335 18182 9195 1 15 . 1 1 36 36 THR CA C 694 63.612 63.612 61.829 1.783 18182 9196 1 15 . 1 1 36 36 THR CB C 694 68.317 68.317 70.309 -1.992 18182 9197 1 15 . 1 1 36 36 THR H H 694 8.291 8.291 7.468 0.823 18182 9198 1 15 . 1 1 37 37 TYR N N 695 123.616 123.616 123.417 0.199 18182 9199 1 15 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.750 0.291 18182 9200 1 15 . 1 1 37 37 TYR C C 695 171.831 171.831 173.201 -1.370 18182 9201 1 15 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.882 0.423 18182 9202 1 15 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.926 2.433 18182 9203 1 15 . 1 1 37 37 TYR H H 695 8.805 8.805 8.816 -0.011 18182 9204 1 15 . 1 1 38 38 LEU N N 696 115.449 115.449 114.453 0.996 18182 9205 1 15 . 1 1 38 38 LEU HA H 696 5.159 5.159 4.877 0.282 18182 9206 1 15 . 1 1 38 38 LEU C C 696 174.331 174.331 174.595 -0.264 18182 9207 1 15 . 1 1 38 38 LEU CA C 696 53.857 53.857 55.135 -1.278 18182 9208 1 15 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.099 0.794 18182 9209 1 15 . 1 1 38 38 LEU H H 696 9.105 9.105 8.557 0.548 18182 9210 1 15 . 1 1 39 39 ILE N N 697 121.911 121.911 120.731 1.180 18182 9211 1 15 . 1 1 39 39 ILE HA H 697 5.419 5.419 5.060 0.359 18182 9212 1 15 . 1 1 39 39 ILE C C 697 173.476 173.476 174.838 -1.362 18182 9213 1 15 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.267 -0.342 18182 9214 1 15 . 1 1 39 39 ILE CB C 697 38.929 38.929 39.940 -1.010 18182 9215 1 15 . 1 1 39 39 ILE H H 697 9.313 9.313 8.700 0.613 18182 9216 1 15 . 1 1 40 40 ARG N N 698 122.878 122.878 126.468 -3.590 18182 9217 1 15 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.075 0.217 18182 9218 1 15 . 1 1 40 40 ARG C C 698 174.308 174.308 174.804 -0.496 18182 9219 1 15 . 1 1 40 40 ARG CA C 698 51.744 51.744 52.831 -1.087 18182 9220 1 15 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.406 0.111 18182 9221 1 15 . 1 1 40 40 ARG H H 698 9.185 9.185 9.001 0.184 18182 9222 1 15 . 1 1 41 41 GLU N N 699 122.405 122.405 119.894 2.511 18182 9223 1 15 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.724 0.173 18182 9224 1 15 . 1 1 41 41 GLU C C 699 176.242 176.242 175.130 1.112 18182 9225 1 15 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.767 -0.241 18182 9226 1 15 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.271 -0.138 18182 9227 1 15 . 1 1 41 41 GLU H H 699 8.634 8.634 8.025 0.609 18182 9228 1 15 . 1 1 42 42 ARG N N 700 125.045 125.045 125.320 -0.275 18182 9229 1 15 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.944 -0.250 18182 9230 1 15 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.908 -0.335 18182 9231 1 15 . 1 1 42 42 ARG H H 700 8.639 8.639 7.881 0.758 18182 9232 1 15 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.284 0.130 18182 9233 1 15 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.541 -0.130 18182 9234 1 15 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.039 -0.541 18182 9235 1 15 . 1 1 44 44 ALA N N 702 122.925 122.925 128.012 -5.087 18182 9236 1 15 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.505 -0.183 18182 9237 1 15 . 1 1 44 44 ALA C C 702 176.610 176.610 177.378 -0.768 18182 9238 1 15 . 1 1 44 44 ALA CA C 702 51.802 51.802 50.830 0.972 18182 9239 1 15 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.297 -0.906 18182 9240 1 15 . 1 1 44 44 ALA H H 702 7.888 7.888 7.638 0.250 18182 9241 1 15 . 1 1 45 45 GLU N N 703 118.799 118.799 119.330 -0.531 18182 9242 1 15 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.138 0.099 18182 9243 1 15 . 1 1 45 45 GLU C C 703 176.717 176.717 177.328 -0.611 18182 9244 1 15 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.470 -1.569 18182 9245 1 15 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.933 0.153 18182 9246 1 15 . 1 1 45 45 GLU H H 703 7.947 7.947 8.692 -0.745 18182 9247 1 15 . 1 1 46 46 ALA N N 704 120.631 120.631 121.844 -1.213 18182 9248 1 15 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.259 0.156 18182 9249 1 15 . 1 1 46 46 ALA C C 704 178.411 178.411 176.567 1.844 18182 9250 1 15 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.177 1.031 18182 9251 1 15 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.261 -0.018 18182 9252 1 15 . 1 1 46 46 ALA H H 704 8.643 8.643 7.912 0.731 18182 9253 1 15 . 1 1 47 47 GLU N N 705 119.341 119.341 119.135 0.206 18182 9254 1 15 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.784 0.072 18182 9255 1 15 . 1 1 47 47 GLU C C 705 176.013 176.013 176.101 -0.088 18182 9256 1 15 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.992 -1.134 18182 9257 1 15 . 1 1 47 47 GLU CB C 705 26.834 26.834 29.295 -2.461 18182 9258 1 15 . 1 1 47 47 GLU H H 705 7.635 7.635 8.282 -0.647 18182 9259 1 15 . 1 1 48 48 ARG N N 706 120.355 120.355 124.818 -4.463 18182 9260 1 15 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.000 -0.035 18182 9261 1 15 . 1 1 48 48 ARG C C 706 175.117 175.117 175.157 -0.040 18182 9262 1 15 . 1 1 48 48 ARG CA C 706 58.155 58.155 57.539 0.616 18182 9263 1 15 . 1 1 48 48 ARG CB C 706 31.691 31.691 31.302 0.389 18182 9264 1 15 . 1 1 48 48 ARG H H 706 7.971 7.971 7.764 0.207 18182 9265 1 15 . 1 1 49 49 PHE N N 707 112.251 112.251 113.506 -1.255 18182 9266 1 15 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.747 1.158 18182 9267 1 15 . 1 1 49 49 PHE C C 707 173.875 173.875 173.560 0.315 18182 9268 1 15 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.239 -1.430 18182 9269 1 15 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.093 -0.018 18182 9270 1 15 . 1 1 49 49 PHE H H 707 7.857 7.857 7.268 0.589 18182 9271 1 15 . 1 1 50 50 ALA N N 708 118.730 118.730 121.128 -2.398 18182 9272 1 15 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.185 0.269 18182 9273 1 15 . 1 1 50 50 ALA C C 708 176.479 176.479 175.035 1.444 18182 9274 1 15 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.783 0.059 18182 9275 1 15 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.527 -0.809 18182 9276 1 15 . 1 1 50 50 ALA H H 708 9.205 9.205 9.178 0.027 18182 9277 1 15 . 1 1 51 51 ILE N N 709 120.037 120.037 121.383 -1.346 18182 9278 1 15 . 1 1 51 51 ILE HA H 709 4.746 4.746 5.122 -0.376 18182 9279 1 15 . 1 1 51 51 ILE C C 709 175.120 175.120 174.995 0.125 18182 9280 1 15 . 1 1 51 51 ILE CA C 709 60.723 60.723 59.702 1.021 18182 9281 1 15 . 1 1 51 51 ILE CB C 709 40.300 40.300 41.459 -1.159 18182 9282 1 15 . 1 1 51 51 ILE H H 709 9.262 9.262 9.176 0.086 18182 9283 1 15 . 1 1 52 52 SER N N 710 125.087 125.087 120.544 4.543 18182 9284 1 15 . 1 1 52 52 SER HA H 710 5.468 5.468 5.155 0.312 18182 9285 1 15 . 1 1 52 52 SER C C 710 172.060 172.060 172.812 -0.752 18182 9286 1 15 . 1 1 52 52 SER CA C 710 57.761 57.761 56.693 1.068 18182 9287 1 15 . 1 1 52 52 SER CB C 710 65.210 65.210 66.048 -0.838 18182 9288 1 15 . 1 1 52 52 SER H H 710 9.205 9.205 9.011 0.194 18182 9289 1 15 . 1 1 53 53 ILE N N 711 121.753 121.753 121.989 -0.236 18182 9290 1 15 . 1 1 53 53 ILE HA H 711 5.195 5.195 4.962 0.233 18182 9291 1 15 . 1 1 53 53 ILE C C 711 173.070 173.070 173.272 -0.202 18182 9292 1 15 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.358 -1.603 18182 9293 1 15 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.162 0.195 18182 9294 1 15 . 1 1 53 53 ILE H H 711 8.989 8.989 8.260 0.729 18182 9295 1 15 . 1 1 54 54 LYS N N 712 128.758 128.758 128.730 0.028 18182 9296 1 15 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.436 -0.649 18182 9297 1 15 . 1 1 54 54 LYS C C 712 174.899 174.899 174.806 0.093 18182 9298 1 15 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.369 -0.002 18182 9299 1 15 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.336 -0.978 18182 9300 1 15 . 1 1 54 54 LYS H H 712 8.894 8.894 9.001 -0.107 18182 9301 1 15 . 1 1 55 55 PHE N N 713 130.369 130.369 126.287 4.082 18182 9302 1 15 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.748 0.199 18182 9303 1 15 . 1 1 55 55 PHE C C 713 174.238 174.238 174.036 0.202 18182 9304 1 15 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.358 0.807 18182 9305 1 15 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.594 -0.790 18182 9306 1 15 . 1 1 55 55 PHE H H 713 9.464 9.464 9.105 0.359 18182 9307 1 15 . 1 1 56 56 ASN N N 714 125.719 125.719 124.531 1.188 18182 9308 1 15 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.183 -0.242 18182 9309 1 15 . 1 1 56 56 ASN C C 714 174.003 174.003 174.055 -0.052 18182 9310 1 15 . 1 1 56 56 ASN CA C 714 55.230 55.230 54.088 1.142 18182 9311 1 15 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.421 -1.281 18182 9312 1 15 . 1 1 56 56 ASN H H 714 8.411 8.411 8.705 -0.294 18182 9313 1 15 . 1 1 57 57 ASP N N 715 117.904 117.904 114.219 3.685 18182 9314 1 15 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.211 0.410 18182 9315 1 15 . 1 1 57 57 ASP C C 715 174.858 174.858 174.632 0.226 18182 9316 1 15 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.892 -0.710 18182 9317 1 15 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.696 0.190 18182 9318 1 15 . 1 1 57 57 ASP H H 715 8.542 8.542 8.635 -0.093 18182 9319 1 15 . 1 1 58 58 GLU N N 716 118.707 118.707 117.476 1.231 18182 9320 1 15 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.638 0.072 18182 9321 1 15 . 1 1 58 58 GLU C C 716 173.755 173.755 174.874 -1.119 18182 9322 1 15 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.286 -0.239 18182 9323 1 15 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.110 1.176 18182 9324 1 15 . 1 1 58 58 GLU H H 716 7.889 7.889 7.479 0.410 18182 9325 1 15 . 1 1 59 59 VAL N N 717 120.720 120.720 124.978 -4.258 18182 9326 1 15 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.556 -0.126 18182 9327 1 15 . 1 1 59 59 VAL C C 717 175.071 175.071 175.869 -0.798 18182 9328 1 15 . 1 1 59 59 VAL CA C 717 62.139 62.139 61.327 0.812 18182 9329 1 15 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.595 0.476 18182 9330 1 15 . 1 1 59 59 VAL H H 717 8.536 8.536 8.579 -0.043 18182 9331 1 15 . 1 1 60 60 LYS N N 718 126.403 126.403 127.486 -1.083 18182 9332 1 15 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.541 0.014 18182 9333 1 15 . 1 1 60 60 LYS C C 718 174.578 174.578 175.268 -0.690 18182 9334 1 15 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.161 -1.044 18182 9335 1 15 . 1 1 60 60 LYS CB C 718 34.906 34.906 33.809 1.097 18182 9336 1 15 . 1 1 60 60 LYS H H 718 8.879 8.879 8.838 0.041 18182 9337 1 15 . 1 1 61 61 HIS N N 719 118.939 118.939 118.731 0.208 18182 9338 1 15 . 1 1 61 61 HIS HA H 719 5.510 5.510 4.854 0.656 18182 9339 1 15 . 1 1 61 61 HIS C C 719 174.482 174.482 174.675 -0.193 18182 9340 1 15 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.641 -0.223 18182 9341 1 15 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.197 3.052 18182 9342 1 15 . 1 1 61 61 HIS H H 719 8.846 8.846 8.424 0.422 18182 9343 1 15 . 1 1 62 62 ILE N N 720 124.690 124.690 125.150 -0.460 18182 9344 1 15 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.518 -0.010 18182 9345 1 15 . 1 1 62 62 ILE C C 720 176.221 176.221 174.534 1.687 18182 9346 1 15 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.405 -0.122 18182 9347 1 15 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.717 3.305 18182 9348 1 15 . 1 1 62 62 ILE H H 720 9.704 9.704 9.182 0.522 18182 9349 1 15 . 1 1 63 63 LYS N N 721 126.432 126.432 127.470 -1.038 18182 9350 1 15 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.474 -0.339 18182 9351 1 15 . 1 1 63 63 LYS C C 721 174.783 174.783 176.067 -1.284 18182 9352 1 15 . 1 1 63 63 LYS CA C 721 58.478 58.478 55.972 2.506 18182 9353 1 15 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.858 0.996 18182 9354 1 15 . 1 1 63 63 LYS H H 721 9.100 9.100 8.641 0.459 18182 9355 1 15 . 1 1 64 64 VAL N N 722 123.306 123.306 123.932 -0.626 18182 9356 1 15 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.095 0.163 18182 9357 1 15 . 1 1 64 64 VAL C C 722 174.284 174.284 174.891 -0.607 18182 9358 1 15 . 1 1 64 64 VAL CA C 722 61.293 61.293 63.096 -1.803 18182 9359 1 15 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.673 -0.127 18182 9360 1 15 . 1 1 64 64 VAL H H 722 8.441 8.441 8.754 -0.313 18182 9361 1 15 . 1 1 65 65 VAL N N 723 126.508 126.508 127.056 -0.548 18182 9362 1 15 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.418 -0.136 18182 9363 1 15 . 1 1 65 65 VAL C C 723 174.127 174.127 174.797 -0.670 18182 9364 1 15 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.904 0.695 18182 9365 1 15 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.167 0.550 18182 9366 1 15 . 1 1 65 65 VAL H H 723 8.462 8.462 8.669 -0.207 18182 9367 1 15 . 1 1 66 66 GLU N N 724 126.016 126.016 129.555 -3.539 18182 9368 1 15 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.454 0.772 18182 9369 1 15 . 1 1 66 66 GLU C C 724 175.409 175.409 175.232 0.177 18182 9370 1 15 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.981 -1.230 18182 9371 1 15 . 1 1 66 66 GLU CB C 724 32.457 32.457 30.250 2.207 18182 9372 1 15 . 1 1 66 66 GLU H H 724 8.619 8.619 8.007 0.612 18182 9373 1 15 . 1 1 67 67 LYS N N 725 125.813 125.813 123.192 2.621 18182 9374 1 15 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.426 0.071 18182 9375 1 15 . 1 1 67 67 LYS C C 725 175.635 175.635 175.439 0.196 18182 9376 1 15 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.224 1.199 18182 9377 1 15 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.972 -0.674 18182 9378 1 15 . 1 1 67 67 LYS H H 725 8.740 8.740 7.900 0.840 18182 9379 1 15 . 1 1 68 68 ASP N N 726 126.958 126.958 120.868 6.090 18182 9380 1 15 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.291 -0.060 18182 9381 1 15 . 1 1 68 68 ASP C C 726 174.341 174.341 175.529 -1.188 18182 9382 1 15 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.692 0.561 18182 9383 1 15 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.522 -0.023 18182 9384 1 15 . 1 1 68 68 ASP H H 726 9.499 9.499 8.903 0.596 18182 9385 1 15 . 1 1 69 69 ASN N N 727 110.214 110.214 112.575 -2.361 18182 9386 1 15 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.057 0.208 18182 9387 1 15 . 1 1 69 69 ASN C C 727 173.779 173.779 173.221 0.558 18182 9388 1 15 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.630 0.059 18182 9389 1 15 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.633 -0.145 18182 9390 1 15 . 1 1 69 69 ASN H H 727 8.348 8.348 8.604 -0.256 18182 9391 1 15 . 1 1 70 70 TRP N N 728 119.007 119.007 114.754 4.253 18182 9392 1 15 . 1 1 70 70 TRP HA H 728 5.390 5.390 4.890 0.500 18182 9393 1 15 . 1 1 70 70 TRP C C 728 174.779 174.779 174.484 0.295 18182 9394 1 15 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.591 1.235 18182 9395 1 15 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.501 1.054 18182 9396 1 15 . 1 1 70 70 TRP H H 728 8.063 8.063 7.389 0.674 18182 9397 1 15 . 1 1 71 71 ILE N N 729 122.016 122.016 119.608 2.408 18182 9398 1 15 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.497 1.103 18182 9399 1 15 . 1 1 71 71 ILE C C 729 175.184 175.184 173.871 1.313 18182 9400 1 15 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.889 -1.035 18182 9401 1 15 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.779 0.817 18182 9402 1 15 . 1 1 71 71 ILE H H 729 9.378 9.378 9.122 0.256 18182 9403 1 15 . 1 1 72 72 HIS N N 730 121.306 121.306 120.542 0.764 18182 9404 1 15 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.114 0.104 18182 9405 1 15 . 1 1 72 72 HIS C C 730 173.714 173.714 174.049 -0.335 18182 9406 1 15 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.722 0.920 18182 9407 1 15 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.593 0.912 18182 9408 1 15 . 1 1 72 72 HIS H H 730 9.048 9.048 7.939 1.109 18182 9409 1 15 . 1 1 73 73 ILE N N 731 112.643 112.643 115.513 -2.870 18182 9410 1 15 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.509 0.428 18182 9411 1 15 . 1 1 73 73 ILE C C 731 175.442 175.442 175.693 -0.251 18182 9412 1 15 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.029 0.649 18182 9413 1 15 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.209 0.197 18182 9414 1 15 . 1 1 73 73 ILE H H 731 9.499 9.499 8.952 0.547 18182 9415 1 15 . 1 1 74 74 THR N N 732 115.752 115.752 113.950 1.802 18182 9416 1 15 . 1 1 74 74 THR HA H 732 4.812 4.812 4.530 0.282 18182 9417 1 15 . 1 1 74 74 THR C C 732 173.575 173.575 172.883 0.692 18182 9418 1 15 . 1 1 74 74 THR CA C 732 58.650 58.650 59.843 -1.193 18182 9419 1 15 . 1 1 74 74 THR CB C 732 70.177 70.177 71.143 -0.966 18182 9420 1 15 . 1 1 74 74 THR H H 732 8.364 8.364 7.883 0.481 18182 9421 1 15 . 1 1 75 75 GLU N N 733 124.910 124.910 121.656 3.254 18182 9422 1 15 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.124 -1.151 18182 9423 1 15 . 1 1 75 75 GLU C C 733 175.609 175.609 176.307 -0.698 18182 9424 1 15 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.512 2.150 18182 9425 1 15 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.490 -0.527 18182 9426 1 15 . 1 1 75 75 GLU H H 733 8.754 8.754 8.581 0.173 18182 9427 1 15 . 1 1 76 76 ALA N N 734 117.847 117.847 121.732 -3.885 18182 9428 1 15 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.352 -0.412 18182 9429 1 15 . 1 1 76 76 ALA C C 734 177.033 177.033 176.487 0.546 18182 9430 1 15 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.420 0.754 18182 9431 1 15 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.028 -0.535 18182 9432 1 15 . 1 1 76 76 ALA H H 734 7.538 7.538 7.869 -0.331 18182 9433 1 15 . 1 1 77 77 LYS N N 735 119.518 119.518 119.632 -0.114 18182 9434 1 15 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.357 -0.246 18182 9435 1 15 . 1 1 77 77 LYS C C 735 171.953 171.953 175.323 -3.370 18182 9436 1 15 . 1 1 77 77 LYS CA C 735 54.699 54.699 54.741 -0.042 18182 9437 1 15 . 1 1 77 77 LYS CB C 735 33.285 33.285 34.026 -0.741 18182 9438 1 15 . 1 1 77 77 LYS H H 735 7.326 7.326 7.924 -0.598 18182 9439 1 15 . 1 1 78 78 LYS N N 736 123.200 123.200 119.947 3.253 18182 9440 1 15 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.614 0.117 18182 9441 1 15 . 1 1 78 78 LYS C C 736 175.123 175.123 175.547 -0.424 18182 9442 1 15 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.899 0.211 18182 9443 1 15 . 1 1 78 78 LYS CB C 736 34.970 34.970 35.194 -0.224 18182 9444 1 15 . 1 1 78 78 LYS H H 736 7.893 7.893 7.942 -0.049 18182 9445 1 15 . 1 1 79 79 PHE N N 737 117.916 117.916 118.345 -0.429 18182 9446 1 15 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.504 0.490 18182 9447 1 15 . 1 1 79 79 PHE C C 737 175.595 175.595 174.984 0.611 18182 9448 1 15 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.040 -0.099 18182 9449 1 15 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.737 0.675 18182 9450 1 15 . 1 1 79 79 PHE H H 737 9.121 9.121 8.221 0.900 18182 9451 1 15 . 1 1 80 80 ASP N N 738 119.341 119.341 121.013 -1.672 18182 9452 1 15 . 1 1 80 80 ASP HA H 738 4.749 4.749 4.749 0.000 18182 9453 1 15 . 1 1 80 80 ASP C C 738 176.035 176.035 175.921 0.114 18182 9454 1 15 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.908 -0.196 18182 9455 1 15 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.079 -0.370 18182 9456 1 15 . 1 1 80 80 ASP H H 738 9.377 9.377 8.687 0.690 18182 9457 1 15 . 1 1 81 81 SER N N 739 108.518 108.518 109.912 -1.394 18182 9458 1 15 . 1 1 81 81 SER HA H 739 4.694 4.694 4.596 0.098 18182 9459 1 15 . 1 1 81 81 SER C C 739 173.791 173.791 174.052 -0.261 18182 9460 1 15 . 1 1 81 81 SER CA C 739 57.049 57.049 57.550 -0.501 18182 9461 1 15 . 1 1 81 81 SER CB C 739 66.839 66.839 65.063 1.776 18182 9462 1 15 . 1 1 81 81 SER H H 739 7.447 7.447 7.502 -0.055 18182 9463 1 15 . 1 1 82 82 LEU N N 740 122.626 122.626 121.439 1.187 18182 9464 1 15 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.130 -0.319 18182 9465 1 15 . 1 1 82 82 LEU C C 740 177.172 177.172 177.409 -0.237 18182 9466 1 15 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.304 -0.835 18182 9467 1 15 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.707 -0.888 18182 9468 1 15 . 1 1 82 82 LEU H H 740 8.969 8.969 8.551 0.418 18182 9469 1 15 . 1 1 83 83 LEU N N 741 116.575 116.575 118.769 -2.194 18182 9470 1 15 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.962 -0.125 18182 9471 1 15 . 1 1 83 83 LEU C C 741 177.492 177.492 178.801 -1.309 18182 9472 1 15 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.330 -0.066 18182 9473 1 15 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.068 0.861 18182 9474 1 15 . 1 1 83 83 LEU H H 741 7.770 7.770 7.974 -0.204 18182 9475 1 15 . 1 1 84 84 GLU N N 742 116.865 116.865 119.144 -2.279 18182 9476 1 15 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.273 -0.355 18182 9477 1 15 . 1 1 84 84 GLU C C 742 178.252 178.252 179.311 -1.059 18182 9478 1 15 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.481 -0.090 18182 9479 1 15 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.668 0.791 18182 9480 1 15 . 1 1 84 84 GLU H H 742 7.585 7.585 7.917 -0.332 18182 9481 1 15 . 1 1 85 85 LEU N N 743 122.164 122.164 120.478 1.686 18182 9482 1 15 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.159 -0.131 18182 9483 1 15 . 1 1 85 85 LEU C C 743 177.335 177.335 178.146 -0.811 18182 9484 1 15 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.188 1.583 18182 9485 1 15 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.573 0.254 18182 9486 1 15 . 1 1 85 85 LEU H H 743 7.109 7.109 7.345 -0.236 18182 9487 1 15 . 1 1 86 86 VAL N N 744 119.760 119.760 118.663 1.097 18182 9488 1 15 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.232 -0.379 18182 9489 1 15 . 1 1 86 86 VAL C C 744 177.675 177.675 177.571 0.104 18182 9490 1 15 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.830 0.283 18182 9491 1 15 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.328 -0.217 18182 9492 1 15 . 1 1 86 86 VAL H H 744 8.113 8.113 8.219 -0.106 18182 9493 1 15 . 1 1 87 87 GLU N N 745 116.227 116.227 119.782 -3.555 18182 9494 1 15 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.799 -0.037 18182 9495 1 15 . 1 1 87 87 GLU C C 745 179.530 179.530 178.851 0.679 18182 9496 1 15 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.386 0.052 18182 9497 1 15 . 1 1 87 87 GLU CB C 745 29.152 29.152 28.881 0.272 18182 9498 1 15 . 1 1 87 87 GLU H H 745 8.182 8.182 8.475 -0.293 18182 9499 1 15 . 1 1 88 88 TYR N N 746 120.102 120.102 120.506 -0.404 18182 9500 1 15 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.097 0.050 18182 9501 1 15 . 1 1 88 88 TYR C C 746 179.970 179.970 178.274 1.696 18182 9502 1 15 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.310 0.420 18182 9503 1 15 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.703 0.185 18182 9504 1 15 . 1 1 88 88 TYR H H 746 7.795 7.795 7.716 0.079 18182 9505 1 15 . 1 1 89 89 TYR N N 747 118.508 118.508 117.739 0.769 18182 9506 1 15 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.803 0.298 18182 9507 1 15 . 1 1 89 89 TYR C C 747 175.885 175.885 178.752 -2.867 18182 9508 1 15 . 1 1 89 89 TYR CA C 747 61.177 61.177 59.531 1.646 18182 9509 1 15 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.617 -0.574 18182 9510 1 15 . 1 1 89 89 TYR H H 747 7.798 7.798 7.781 0.017 18182 9511 1 15 . 1 1 90 90 GLN N N 748 118.741 118.741 117.517 1.224 18182 9512 1 15 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.867 0.553 18182 9513 1 15 . 1 1 90 90 GLN C C 748 177.767 177.767 176.711 1.056 18182 9514 1 15 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.718 -0.847 18182 9515 1 15 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.692 -0.019 18182 9516 1 15 . 1 1 90 90 GLN H H 748 7.925 7.925 8.175 -0.250 18182 9517 1 15 . 1 1 91 91 CYS N N 749 111.312 111.312 114.767 -3.455 18182 9518 1 15 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.411 0.230 18182 9519 1 15 . 1 1 91 91 CYS C C 749 173.010 173.010 174.439 -1.429 18182 9520 1 15 . 1 1 91 91 CYS CA C 749 57.535 57.535 57.728 -0.193 18182 9521 1 15 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.933 -0.754 18182 9522 1 15 . 1 1 91 91 CYS H H 749 7.178 7.178 7.285 -0.107 18182 9523 1 15 . 1 1 92 92 HIS N N 750 120.386 120.386 119.057 1.329 18182 9524 1 15 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.669 -0.301 18182 9525 1 15 . 1 1 92 92 HIS C C 750 171.815 171.815 174.404 -2.589 18182 9526 1 15 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.906 0.263 18182 9527 1 15 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.869 -1.562 18182 9528 1 15 . 1 1 92 92 HIS H H 750 7.540 7.540 8.163 -0.623 18182 9529 1 15 . 1 1 93 93 SER N N 751 113.259 113.259 116.749 -3.490 18182 9530 1 15 . 1 1 93 93 SER HA H 751 3.812 3.812 4.477 -0.665 18182 9531 1 15 . 1 1 93 93 SER C C 751 176.644 176.644 175.763 0.881 18182 9532 1 15 . 1 1 93 93 SER CA C 751 58.040 58.040 58.446 -0.406 18182 9533 1 15 . 1 1 93 93 SER CB C 751 62.954 62.954 63.989 -1.035 18182 9534 1 15 . 1 1 93 93 SER H H 751 8.397 8.397 8.901 -0.504 18182 9535 1 15 . 1 1 94 94 LEU N N 752 127.166 127.166 124.475 2.691 18182 9536 1 15 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.549 -0.409 18182 9537 1 15 . 1 1 94 94 LEU C C 752 177.462 177.462 177.296 0.166 18182 9538 1 15 . 1 1 94 94 LEU CA C 752 58.300 58.300 55.041 3.259 18182 9539 1 15 . 1 1 94 94 LEU CB C 752 42.332 42.332 40.867 1.465 18182 9540 1 15 . 1 1 94 94 LEU H H 752 8.580 8.580 8.419 0.161 18182 9541 1 15 . 1 1 95 95 LYS N N 753 122.119 122.119 119.363 2.756 18182 9542 1 15 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.595 -0.155 18182 9543 1 15 . 1 1 95 95 LYS C C 753 176.253 176.253 178.348 -2.095 18182 9544 1 15 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.480 -1.251 18182 9545 1 15 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.826 0.518 18182 9546 1 15 . 1 1 95 95 LYS H H 753 8.322 8.322 7.568 0.754 18182 9547 1 15 . 1 1 96 96 GLU N N 754 115.310 115.310 119.471 -4.161 18182 9548 1 15 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.068 0.069 18182 9549 1 15 . 1 1 96 96 GLU C C 754 176.704 176.704 177.796 -1.092 18182 9550 1 15 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.704 -0.215 18182 9551 1 15 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.429 0.248 18182 9552 1 15 . 1 1 96 96 GLU H H 754 7.197 7.197 8.270 -1.073 18182 9553 1 15 . 1 1 97 97 SER N N 755 113.390 113.390 114.015 -0.625 18182 9554 1 15 . 1 1 97 97 SER HA H 755 4.583 4.583 4.251 0.332 18182 9555 1 15 . 1 1 97 97 SER C C 755 171.185 171.185 174.257 -3.072 18182 9556 1 15 . 1 1 97 97 SER CA C 755 59.569 59.569 60.443 -0.874 18182 9557 1 15 . 1 1 97 97 SER CB C 755 66.435 66.435 63.919 2.516 18182 9558 1 15 . 1 1 97 97 SER H H 755 7.857 7.857 7.807 0.050 18182 9559 1 15 . 1 1 98 98 PHE N N 756 121.328 121.328 121.819 -0.491 18182 9560 1 15 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.769 -0.004 18182 9561 1 15 . 1 1 98 98 PHE C C 756 175.774 175.774 175.576 0.198 18182 9562 1 15 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.616 0.255 18182 9563 1 15 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.765 0.946 18182 9564 1 15 . 1 1 98 98 PHE H H 756 8.409 8.409 8.421 -0.012 18182 9565 1 15 . 1 1 99 99 LYS N N 757 121.656 121.656 125.056 -3.400 18182 9566 1 15 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.174 -0.061 18182 9567 1 15 . 1 1 99 99 LYS C C 757 177.188 177.188 177.497 -0.309 18182 9568 1 15 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.042 0.694 18182 9569 1 15 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.205 0.151 18182 9570 1 15 . 1 1 99 99 LYS H H 757 8.602 8.602 8.620 -0.018 18182 9571 1 15 . 1 1 100 100 GLN N N 758 115.783 115.783 118.383 -2.600 18182 9572 1 15 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.263 0.120 18182 9573 1 15 . 1 1 100 100 GLN C C 758 175.849 175.849 176.035 -0.186 18182 9574 1 15 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.188 -1.356 18182 9575 1 15 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.059 -0.743 18182 9576 1 15 . 1 1 100 100 GLN H H 758 9.139 9.139 8.401 0.738 18182 9577 1 15 . 1 1 101 101 LEU N N 759 124.876 124.876 119.511 5.365 18182 9578 1 15 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.545 -0.853 18182 9579 1 15 . 1 1 101 101 LEU C C 759 173.219 173.219 175.547 -2.328 18182 9580 1 15 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.593 -2.145 18182 9581 1 15 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.747 -1.759 18182 9582 1 15 . 1 1 101 101 LEU H H 759 7.924 7.924 7.648 0.276 18182 9583 1 15 . 1 1 102 102 ASP N N 760 119.263 119.263 118.405 0.858 18182 9584 1 15 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.727 -0.160 18182 9585 1 15 . 1 1 102 102 ASP C C 760 173.570 173.570 174.510 -0.940 18182 9586 1 15 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.817 -1.942 18182 9587 1 15 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.660 -2.631 18182 9588 1 15 . 1 1 102 102 ASP H H 760 6.564 6.564 8.321 -1.757 18182 9589 1 15 . 1 1 103 103 THR N N 761 117.311 117.311 113.546 3.765 18182 9590 1 15 . 1 1 103 103 THR HA H 761 4.701 4.701 4.239 0.462 18182 9591 1 15 . 1 1 103 103 THR C C 761 172.169 172.169 172.548 -0.379 18182 9592 1 15 . 1 1 103 103 THR CA C 761 60.491 60.491 59.915 0.576 18182 9593 1 15 . 1 1 103 103 THR CB C 761 69.358 69.358 69.568 -0.210 18182 9594 1 15 . 1 1 103 103 THR H H 761 7.699 7.699 7.471 0.228 18182 9595 1 15 . 1 1 104 104 THR N N 762 114.211 114.211 113.550 0.661 18182 9596 1 15 . 1 1 104 104 THR HA H 762 4.603 4.603 4.392 0.211 18182 9597 1 15 . 1 1 104 104 THR C C 762 175.647 175.647 172.993 2.654 18182 9598 1 15 . 1 1 104 104 THR CA C 762 60.899 60.899 60.518 0.381 18182 9599 1 15 . 1 1 104 104 THR CB C 762 70.981 70.981 71.810 -0.829 18182 9600 1 15 . 1 1 104 104 THR H H 762 7.300 7.300 7.972 -0.672 18182 9601 1 15 . 1 1 105 105 LEU N N 763 117.640 117.640 121.407 -3.767 18182 9602 1 15 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.838 -0.315 18182 9603 1 15 . 1 1 105 105 LEU C C 763 174.500 174.500 176.277 -1.777 18182 9604 1 15 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.760 -1.605 18182 9605 1 15 . 1 1 105 105 LEU CB C 763 35.747 35.747 40.758 -5.011 18182 9606 1 15 . 1 1 105 105 LEU H H 763 8.113 8.113 8.190 -0.077 18182 9607 1 15 . 1 1 106 106 LYS N N 764 127.345 127.345 123.136 4.209 18182 9608 1 15 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.412 -0.401 18182 9609 1 15 . 1 1 106 106 LYS C C 764 176.781 176.781 176.075 0.706 18182 9610 1 15 . 1 1 106 106 LYS CA C 764 59.888 59.888 55.881 4.007 18182 9611 1 15 . 1 1 106 106 LYS CB C 764 35.223 35.223 35.683 -0.460 18182 9612 1 15 . 1 1 106 106 LYS H H 764 7.181 7.181 8.268 -1.087 18182 9613 1 15 . 1 1 107 107 TYR N N 765 115.756 115.756 119.960 -4.204 18182 9614 1 15 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.053 0.468 18182 9615 1 15 . 1 1 107 107 TYR C C 765 172.106 172.106 172.812 -0.706 18182 9616 1 15 . 1 1 107 107 TYR CA C 765 52.621 52.621 54.823 -2.202 18182 9617 1 15 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.052 2.466 18182 9618 1 15 . 1 1 107 107 TYR H H 765 7.877 7.877 8.322 -0.445 18182 9619 1 15 . 1 1 108 108 PRO HA H 766 3.673 3.673 3.937 -0.264 18182 9620 1 15 . 1 1 108 108 PRO C C 766 180.696 180.696 176.659 4.037 18182 9621 1 15 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.947 0.664 18182 9622 1 15 . 1 1 109 109 TYR N N 767 122.570 122.570 114.122 8.448 18182 9623 1 15 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.170 -0.353 18182 9624 1 15 . 1 1 109 109 TYR C C 767 174.769 174.769 177.001 -2.232 18182 9625 1 15 . 1 1 109 109 TYR CA C 767 61.183 61.183 60.158 1.025 18182 9626 1 15 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.903 -0.436 18182 9627 1 15 . 1 1 109 109 TYR H H 767 8.341 8.341 8.228 0.113 18182 9628 1 15 . 1 1 110 110 LYS N N 768 118.398 118.398 118.397 0.001 18182 9629 1 15 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.947 -0.005 18182 9630 1 15 . 1 1 110 110 LYS C C 768 176.453 176.453 177.689 -1.236 18182 9631 1 15 . 1 1 110 110 LYS CA C 768 56.901 56.901 58.173 -1.272 18182 9632 1 15 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.862 -0.281 18182 9633 1 15 . 1 1 110 110 LYS H H 768 6.790 6.790 7.055 -0.265 18182 9634 1 15 . 1 1 111 111 SER N N 769 114.260 114.260 112.162 2.098 18182 9635 1 15 . 1 1 111 111 SER HA H 769 4.384 4.384 4.088 0.296 18182 9636 1 15 . 1 1 111 111 SER C C 769 174.124 174.124 174.074 0.050 18182 9637 1 15 . 1 1 111 111 SER CA C 769 58.802 58.802 60.038 -1.236 18182 9638 1 15 . 1 1 111 111 SER CB C 769 64.206 64.206 62.126 2.080 18182 9639 1 15 . 1 1 111 111 SER H H 769 7.769 7.769 8.504 -0.735 18182 9640 1 15 . 1 1 112 112 ARG N N 770 122.485 122.485 121.867 0.618 18182 9641 1 15 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.524 -0.146 18182 9642 1 15 . 1 1 112 112 ARG C C 770 175.139 175.139 175.188 -0.049 18182 9643 1 15 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.627 0.001 18182 9644 1 15 . 1 1 112 112 ARG CB C 770 30.935 30.935 31.369 -0.434 18182 9645 1 15 . 1 1 112 112 ARG H H 770 8.109 8.109 8.153 -0.044 18182 9646 1 16 . 1 1 2 2 ARG N N 660 123.565 123.565 122.434 1.131 18182 9647 1 16 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.693 -0.063 18182 9648 1 16 . 1 1 2 2 ARG C C 660 173.529 173.529 173.081 0.448 18182 9649 1 16 . 1 1 2 2 ARG CA C 660 53.869 53.869 54.850 -0.981 18182 9650 1 16 . 1 1 2 2 ARG CB C 660 30.428 30.428 31.139 -0.711 18182 9651 1 16 . 1 1 2 2 ARG H H 660 8.295 8.295 8.325 -0.030 18182 9652 1 16 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.628 0.044 18182 9653 1 16 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.511 -0.099 18182 9654 1 16 . 1 1 4 4 PRO C C 662 177.096 177.096 176.512 0.584 18182 9655 1 16 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.717 0.579 18182 9656 1 16 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.374 -0.352 18182 9657 1 16 . 1 1 5 5 SER N N 663 116.025 116.025 117.639 -1.614 18182 9658 1 16 . 1 1 5 5 SER HA H 663 4.374 4.374 4.560 -0.186 18182 9659 1 16 . 1 1 5 5 SER C C 663 174.815 174.815 175.278 -0.463 18182 9660 1 16 . 1 1 5 5 SER CA C 663 58.797 58.797 58.206 0.591 18182 9661 1 16 . 1 1 5 5 SER CB C 663 64.024 64.024 64.090 -0.066 18182 9662 1 16 . 1 1 5 5 SER H H 663 8.406 8.406 8.451 -0.045 18182 9663 1 16 . 1 1 6 6 ARG N N 664 122.062 122.062 122.621 -0.559 18182 9664 1 16 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.552 -0.173 18182 9665 1 16 . 1 1 6 6 ARG C C 664 175.958 175.958 175.466 0.492 18182 9666 1 16 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.839 0.297 18182 9667 1 16 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.993 -0.281 18182 9668 1 16 . 1 1 6 6 ARG H H 664 8.371 8.371 8.497 -0.126 18182 9669 1 16 . 1 1 7 7 GLU N N 665 122.160 122.160 120.623 1.537 18182 9670 1 16 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.605 -0.292 18182 9671 1 16 . 1 1 7 7 GLU C C 665 175.842 175.842 175.876 -0.034 18182 9672 1 16 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.267 1.143 18182 9673 1 16 . 1 1 7 7 GLU CB C 665 29.972 29.972 31.980 -2.008 18182 9674 1 16 . 1 1 7 7 GLU H H 665 8.352 8.352 7.887 0.465 18182 9675 1 16 . 1 1 8 8 ILE N N 666 123.828 123.828 123.952 -0.124 18182 9676 1 16 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.127 -0.287 18182 9677 1 16 . 1 1 8 8 ILE C C 666 174.373 174.373 175.458 -1.085 18182 9678 1 16 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.481 -0.554 18182 9679 1 16 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.874 0.667 18182 9680 1 16 . 1 1 8 8 ILE H H 666 7.938 7.938 8.428 -0.490 18182 9681 1 16 . 1 1 9 9 ASP N N 667 124.338 124.338 127.677 -3.339 18182 9682 1 16 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.700 -0.081 18182 9683 1 16 . 1 1 9 9 ASP C C 667 177.006 177.006 176.509 0.497 18182 9684 1 16 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.520 -1.468 18182 9685 1 16 . 1 1 9 9 ASP CB C 667 40.364 40.364 41.016 -0.652 18182 9686 1 16 . 1 1 9 9 ASP H H 667 8.111 8.111 8.695 -0.584 18182 9687 1 16 . 1 1 10 10 TYR N N 668 125.199 125.199 124.811 0.388 18182 9688 1 16 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.549 -0.361 18182 9689 1 16 . 1 1 10 10 TYR C C 668 175.947 175.947 177.179 -1.232 18182 9690 1 16 . 1 1 10 10 TYR CA C 668 60.683 60.683 59.625 1.058 18182 9691 1 16 . 1 1 10 10 TYR CB C 668 36.236 36.236 38.109 -1.873 18182 9692 1 16 . 1 1 10 10 TYR H H 668 8.495 8.495 8.548 -0.053 18182 9693 1 16 . 1 1 11 11 THR N N 669 108.617 108.617 109.910 -1.293 18182 9694 1 16 . 1 1 11 11 THR HA H 669 4.148 4.148 3.320 0.828 18182 9695 1 16 . 1 1 11 11 THR C C 669 175.184 175.184 175.152 0.032 18182 9696 1 16 . 1 1 11 11 THR CA C 669 65.022 65.022 64.079 0.943 18182 9697 1 16 . 1 1 11 11 THR CB C 669 69.280 69.280 68.413 0.867 18182 9698 1 16 . 1 1 11 11 THR H H 669 8.011 8.011 7.648 0.363 18182 9699 1 16 . 1 1 12 12 ALA N N 670 121.275 121.275 123.755 -2.480 18182 9700 1 16 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.963 0.113 18182 9701 1 16 . 1 1 12 12 ALA C C 670 177.815 177.815 177.724 0.091 18182 9702 1 16 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.084 -0.528 18182 9703 1 16 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.591 0.283 18182 9704 1 16 . 1 1 12 12 ALA H H 670 7.411 7.411 7.134 0.277 18182 9705 1 16 . 1 1 13 13 TYR N N 671 117.883 117.883 117.645 0.238 18182 9706 1 16 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.245 0.056 18182 9707 1 16 . 1 1 13 13 TYR C C 671 176.698 176.698 174.789 1.909 18182 9708 1 16 . 1 1 13 13 TYR CA C 671 56.986 56.986 55.986 1.000 18182 9709 1 16 . 1 1 13 13 TYR CB C 671 36.815 36.815 36.733 0.082 18182 9710 1 16 . 1 1 13 13 TYR H H 671 7.538 7.538 7.012 0.526 18182 9711 1 16 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.064 0.292 18182 9712 1 16 . 1 1 14 14 PRO C C 672 173.452 173.452 176.968 -3.516 18182 9713 1 16 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.797 -0.474 18182 9714 1 16 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.799 -0.576 18182 9715 1 16 . 1 1 15 15 TRP N N 673 110.044 110.044 112.809 -2.765 18182 9716 1 16 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.642 0.150 18182 9717 1 16 . 1 1 15 15 TRP C C 673 175.577 175.577 175.278 0.299 18182 9718 1 16 . 1 1 15 15 TRP CA C 673 53.157 53.157 55.019 -1.862 18182 9719 1 16 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.698 3.675 18182 9720 1 16 . 1 1 15 15 TRP H H 673 6.229 6.229 7.181 -0.952 18182 9721 1 16 . 1 1 16 16 PHE N N 674 123.205 123.205 122.825 0.380 18182 9722 1 16 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.957 0.214 18182 9723 1 16 . 1 1 16 16 PHE C C 674 174.832 174.832 174.226 0.606 18182 9724 1 16 . 1 1 16 16 PHE CA C 674 59.872 59.872 57.025 2.847 18182 9725 1 16 . 1 1 16 16 PHE CB C 674 40.208 40.208 40.537 -0.329 18182 9726 1 16 . 1 1 16 16 PHE H H 674 7.625 7.625 7.670 -0.045 18182 9727 1 16 . 1 1 17 17 ALA N N 675 130.669 130.669 131.013 -0.344 18182 9728 1 16 . 1 1 17 17 ALA HA H 675 4.948 4.948 5.145 -0.197 18182 9729 1 16 . 1 1 17 17 ALA C C 675 177.266 177.266 175.825 1.441 18182 9730 1 16 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.623 0.645 18182 9731 1 16 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.242 0.186 18182 9732 1 16 . 1 1 17 17 ALA H H 675 9.097 9.097 8.552 0.545 18182 9733 1 16 . 1 1 18 18 GLY C C 676 174.230 174.230 174.236 -0.006 18182 9734 1 16 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.238 2.692 18182 9735 1 16 . 1 1 19 19 ASN N N 677 124.910 124.910 119.780 5.130 18182 9736 1 16 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.724 0.170 18182 9737 1 16 . 1 1 19 19 ASN C C 677 174.597 174.597 175.002 -0.405 18182 9738 1 16 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.349 -0.407 18182 9739 1 16 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.673 -0.714 18182 9740 1 16 . 1 1 19 19 ASN H H 677 8.682 8.682 8.608 0.074 18182 9741 1 16 . 1 1 20 20 MET N N 678 122.347 122.347 121.606 0.741 18182 9742 1 16 . 1 1 20 20 MET HA H 678 4.115 4.115 4.553 -0.438 18182 9743 1 16 . 1 1 20 20 MET C C 678 175.451 175.451 176.235 -0.784 18182 9744 1 16 . 1 1 20 20 MET CA C 678 56.675 56.675 55.321 1.354 18182 9745 1 16 . 1 1 20 20 MET CB C 678 35.208 35.208 34.198 1.010 18182 9746 1 16 . 1 1 20 20 MET H H 678 7.006 7.006 7.867 -0.861 18182 9747 1 16 . 1 1 21 21 GLU N N 679 124.989 124.989 119.943 5.046 18182 9748 1 16 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.488 -0.197 18182 9749 1 16 . 1 1 21 21 GLU C C 679 178.232 178.232 177.331 0.901 18182 9750 1 16 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.659 0.468 18182 9751 1 16 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.119 -0.188 18182 9752 1 16 . 1 1 21 21 GLU H H 679 8.761 8.761 8.445 0.316 18182 9753 1 16 . 1 1 22 22 ARG N N 680 125.521 125.521 122.667 2.854 18182 9754 1 16 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.988 -0.652 18182 9755 1 16 . 1 1 22 22 ARG C C 680 177.707 177.707 178.240 -0.533 18182 9756 1 16 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.068 0.976 18182 9757 1 16 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.896 0.161 18182 9758 1 16 . 1 1 22 22 ARG H H 680 9.406 9.406 8.748 0.657 18182 9759 1 16 . 1 1 23 23 GLN N N 681 117.320 117.320 118.682 -1.362 18182 9760 1 16 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.074 -0.009 18182 9761 1 16 . 1 1 23 23 GLN C C 681 178.317 178.317 178.559 -0.242 18182 9762 1 16 . 1 1 23 23 GLN CA C 681 59.751 59.751 59.250 0.501 18182 9763 1 16 . 1 1 23 23 GLN CB C 681 27.784 27.784 28.189 -0.404 18182 9764 1 16 . 1 1 23 23 GLN H H 681 9.048 9.048 8.677 0.371 18182 9765 1 16 . 1 1 24 24 GLN N N 682 117.909 117.909 118.816 -0.907 18182 9766 1 16 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.133 -0.012 18182 9767 1 16 . 1 1 24 24 GLN C C 682 178.190 178.190 178.513 -0.323 18182 9768 1 16 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.251 -0.508 18182 9769 1 16 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.510 -0.195 18182 9770 1 16 . 1 1 24 24 GLN H H 682 7.182 7.182 8.384 -1.202 18182 9771 1 16 . 1 1 25 25 THR N N 683 117.007 117.007 117.183 -0.176 18182 9772 1 16 . 1 1 25 25 THR HA H 683 3.681 3.681 3.942 -0.261 18182 9773 1 16 . 1 1 25 25 THR C C 683 175.786 175.786 176.506 -0.720 18182 9774 1 16 . 1 1 25 25 THR CA C 683 67.702 67.702 68.037 -0.335 18182 9775 1 16 . 1 1 25 25 THR CB C 683 68.000 68.000 68.540 -0.540 18182 9776 1 16 . 1 1 25 25 THR H H 683 7.903 7.903 8.294 -0.391 18182 9777 1 16 . 1 1 26 26 ASP N N 684 122.824 122.824 120.621 2.203 18182 9778 1 16 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.414 -0.134 18182 9779 1 16 . 1 1 26 26 ASP C C 684 178.269 178.269 178.517 -0.248 18182 9780 1 16 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.523 0.613 18182 9781 1 16 . 1 1 26 26 ASP CB C 684 40.178 40.178 41.033 -0.855 18182 9782 1 16 . 1 1 26 26 ASP H H 684 8.430 8.430 8.509 -0.079 18182 9783 1 16 . 1 1 27 27 ASN N N 685 115.634 115.634 117.885 -2.251 18182 9784 1 16 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.572 -0.213 18182 9785 1 16 . 1 1 27 27 ASN C C 685 177.065 177.065 177.890 -0.825 18182 9786 1 16 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.676 0.235 18182 9787 1 16 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.883 -0.376 18182 9788 1 16 . 1 1 27 27 ASN H H 685 7.647 7.647 7.732 -0.085 18182 9789 1 16 . 1 1 28 28 LEU N N 686 120.594 120.594 122.301 -1.707 18182 9790 1 16 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.074 0.155 18182 9791 1 16 . 1 1 28 28 LEU C C 686 179.502 179.502 178.676 0.826 18182 9792 1 16 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.162 -0.182 18182 9793 1 16 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.315 0.788 18182 9794 1 16 . 1 1 28 28 LEU H H 686 8.093 8.093 8.345 -0.252 18182 9795 1 16 . 1 1 29 29 LEU N N 687 115.149 115.149 116.731 -1.582 18182 9796 1 16 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.366 -0.284 18182 9797 1 16 . 1 1 29 29 LEU C C 687 178.910 178.910 179.598 -0.688 18182 9798 1 16 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.443 0.474 18182 9799 1 16 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.467 1.431 18182 9800 1 16 . 1 1 29 29 LEU H H 687 8.386 8.386 8.262 0.124 18182 9801 1 16 . 1 1 30 30 LYS N N 688 118.086 118.086 120.390 -2.304 18182 9802 1 16 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.011 -0.273 18182 9803 1 16 . 1 1 30 30 LYS C C 688 177.312 177.312 178.771 -1.459 18182 9804 1 16 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.549 0.960 18182 9805 1 16 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.186 -0.096 18182 9806 1 16 . 1 1 30 30 LYS H H 688 7.752 7.752 7.716 0.036 18182 9807 1 16 . 1 1 31 31 SER N N 689 111.134 111.134 113.484 -2.350 18182 9808 1 16 . 1 1 31 31 SER HA H 689 4.460 4.460 4.308 0.152 18182 9809 1 16 . 1 1 31 31 SER C C 689 174.501 174.501 174.984 -0.483 18182 9810 1 16 . 1 1 31 31 SER CA C 689 58.559 58.559 59.648 -1.089 18182 9811 1 16 . 1 1 31 31 SER CB C 689 63.528 63.528 63.513 0.015 18182 9812 1 16 . 1 1 31 31 SER H H 689 7.629 7.629 7.854 -0.225 18182 9813 1 16 . 1 1 32 32 HIS N N 690 120.218 120.218 120.523 -0.305 18182 9814 1 16 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.415 0.241 18182 9815 1 16 . 1 1 32 32 HIS C C 690 173.855 173.855 174.061 -0.206 18182 9816 1 16 . 1 1 32 32 HIS CA C 690 56.219 56.219 57.518 -1.299 18182 9817 1 16 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.540 1.384 18182 9818 1 16 . 1 1 32 32 HIS H H 690 7.701 7.701 7.436 0.265 18182 9819 1 16 . 1 1 33 33 ALA N N 691 120.317 120.317 122.137 -1.820 18182 9820 1 16 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.748 -0.417 18182 9821 1 16 . 1 1 33 33 ALA C C 691 179.494 179.494 176.714 2.780 18182 9822 1 16 . 1 1 33 33 ALA CA C 691 51.850 51.850 50.937 0.913 18182 9823 1 16 . 1 1 33 33 ALA CB C 691 20.045 20.045 21.117 -1.072 18182 9824 1 16 . 1 1 33 33 ALA H H 691 8.453 8.453 8.548 -0.095 18182 9825 1 16 . 1 1 34 34 SER N N 692 117.274 117.274 115.201 2.073 18182 9826 1 16 . 1 1 34 34 SER HA H 692 4.089 4.089 4.336 -0.247 18182 9827 1 16 . 1 1 34 34 SER C C 692 175.336 175.336 175.522 -0.186 18182 9828 1 16 . 1 1 34 34 SER CA C 692 60.531 60.531 59.067 1.464 18182 9829 1 16 . 1 1 34 34 SER CB C 692 63.308 63.308 63.059 0.249 18182 9830 1 16 . 1 1 34 34 SER H H 692 8.997 8.997 8.462 0.535 18182 9831 1 16 . 1 1 35 35 GLY N N 693 113.573 113.573 115.026 -1.453 18182 9832 1 16 . 1 1 35 35 GLY C C 693 174.808 174.808 174.707 0.101 18182 9833 1 16 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.199 -0.340 18182 9834 1 16 . 1 1 35 35 GLY H H 693 9.926 9.926 9.392 0.534 18182 9835 1 16 . 1 1 36 36 THR N N 694 121.076 121.076 122.008 -0.932 18182 9836 1 16 . 1 1 36 36 THR HA H 694 5.962 5.962 4.969 0.993 18182 9837 1 16 . 1 1 36 36 THR C C 694 173.297 173.297 174.060 -0.763 18182 9838 1 16 . 1 1 36 36 THR CA C 694 63.612 63.612 64.751 -1.139 18182 9839 1 16 . 1 1 36 36 THR CB C 694 68.317 68.317 68.650 -0.333 18182 9840 1 16 . 1 1 36 36 THR H H 694 8.291 8.291 7.726 0.565 18182 9841 1 16 . 1 1 37 37 TYR N N 695 123.616 123.616 125.780 -2.164 18182 9842 1 16 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.500 0.541 18182 9843 1 16 . 1 1 37 37 TYR C C 695 171.831 171.831 173.336 -1.505 18182 9844 1 16 . 1 1 37 37 TYR CA C 695 55.305 55.305 55.101 0.204 18182 9845 1 16 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.441 2.918 18182 9846 1 16 . 1 1 37 37 TYR H H 695 8.805 8.805 8.736 0.069 18182 9847 1 16 . 1 1 38 38 LEU N N 696 115.449 115.449 114.393 1.056 18182 9848 1 16 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.227 -0.068 18182 9849 1 16 . 1 1 38 38 LEU C C 696 174.331 174.331 174.772 -0.441 18182 9850 1 16 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.731 -0.874 18182 9851 1 16 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.663 1.230 18182 9852 1 16 . 1 1 38 38 LEU H H 696 9.105 9.105 9.056 0.049 18182 9853 1 16 . 1 1 39 39 ILE N N 697 121.911 121.911 119.368 2.543 18182 9854 1 16 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.841 0.578 18182 9855 1 16 . 1 1 39 39 ILE C C 697 173.476 173.476 175.086 -1.610 18182 9856 1 16 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.087 -0.162 18182 9857 1 16 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.702 -1.773 18182 9858 1 16 . 1 1 39 39 ILE H H 697 9.313 9.313 8.473 0.840 18182 9859 1 16 . 1 1 40 40 ARG N N 698 122.878 122.878 124.376 -1.498 18182 9860 1 16 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.776 0.516 18182 9861 1 16 . 1 1 40 40 ARG C C 698 174.308 174.308 174.924 -0.616 18182 9862 1 16 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.322 -1.578 18182 9863 1 16 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.155 0.362 18182 9864 1 16 . 1 1 40 40 ARG H H 698 9.185 9.185 9.141 0.044 18182 9865 1 16 . 1 1 41 41 GLU N N 699 122.405 122.405 120.395 2.010 18182 9866 1 16 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.501 0.396 18182 9867 1 16 . 1 1 41 41 GLU C C 699 176.242 176.242 175.358 0.884 18182 9868 1 16 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.743 -0.217 18182 9869 1 16 . 1 1 41 41 GLU CB C 699 32.133 32.133 31.514 0.619 18182 9870 1 16 . 1 1 41 41 GLU H H 699 8.634 8.634 8.131 0.503 18182 9871 1 16 . 1 1 42 42 ARG N N 700 125.045 125.045 125.848 -0.803 18182 9872 1 16 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.764 -0.070 18182 9873 1 16 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.433 0.140 18182 9874 1 16 . 1 1 42 42 ARG H H 700 8.639 8.639 7.760 0.879 18182 9875 1 16 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.360 0.054 18182 9876 1 16 . 1 1 43 43 PRO CA C 701 63.411 63.411 62.919 0.492 18182 9877 1 16 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.261 -0.763 18182 9878 1 16 . 1 1 44 44 ALA N N 702 122.925 122.925 128.615 -5.690 18182 9879 1 16 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.596 -0.274 18182 9880 1 16 . 1 1 44 44 ALA C C 702 176.610 176.610 176.707 -0.097 18182 9881 1 16 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.096 0.705 18182 9882 1 16 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.817 -0.426 18182 9883 1 16 . 1 1 44 44 ALA H H 702 7.888 7.888 7.501 0.387 18182 9884 1 16 . 1 1 45 45 GLU N N 703 118.799 118.799 119.953 -1.154 18182 9885 1 16 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.209 0.028 18182 9886 1 16 . 1 1 45 45 GLU C C 703 176.717 176.717 177.635 -0.918 18182 9887 1 16 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.589 -1.688 18182 9888 1 16 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.621 0.465 18182 9889 1 16 . 1 1 45 45 GLU H H 703 7.947 7.947 8.779 -0.832 18182 9890 1 16 . 1 1 46 46 ALA N N 704 120.631 120.631 121.652 -1.021 18182 9891 1 16 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.311 0.104 18182 9892 1 16 . 1 1 46 46 ALA C C 704 178.411 178.411 176.922 1.489 18182 9893 1 16 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.230 0.978 18182 9894 1 16 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.402 -0.159 18182 9895 1 16 . 1 1 46 46 ALA H H 704 8.643 8.643 7.960 0.683 18182 9896 1 16 . 1 1 47 47 GLU N N 705 119.341 119.341 117.254 2.087 18182 9897 1 16 . 1 1 47 47 GLU HA H 705 4.856 4.856 5.094 -0.238 18182 9898 1 16 . 1 1 47 47 GLU C C 705 176.013 176.013 175.847 0.166 18182 9899 1 16 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.357 -0.499 18182 9900 1 16 . 1 1 47 47 GLU CB C 705 26.834 26.834 31.329 -4.495 18182 9901 1 16 . 1 1 47 47 GLU H H 705 7.635 7.635 8.223 -0.588 18182 9902 1 16 . 1 1 48 48 ARG N N 706 120.355 120.355 121.597 -1.242 18182 9903 1 16 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.346 -0.381 18182 9904 1 16 . 1 1 48 48 ARG C C 706 175.117 175.117 175.246 -0.129 18182 9905 1 16 . 1 1 48 48 ARG CA C 706 58.155 58.155 57.117 1.038 18182 9906 1 16 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.119 -1.428 18182 9907 1 16 . 1 1 48 48 ARG H H 706 7.971 7.971 7.903 0.068 18182 9908 1 16 . 1 1 49 49 PHE N N 707 112.251 112.251 114.498 -2.247 18182 9909 1 16 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.781 1.124 18182 9910 1 16 . 1 1 49 49 PHE C C 707 173.875 173.875 173.580 0.295 18182 9911 1 16 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.584 -1.775 18182 9912 1 16 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.638 -0.563 18182 9913 1 16 . 1 1 49 49 PHE H H 707 7.857 7.857 7.504 0.353 18182 9914 1 16 . 1 1 50 50 ALA N N 708 118.730 118.730 120.748 -2.018 18182 9915 1 16 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.151 0.303 18182 9916 1 16 . 1 1 50 50 ALA C C 708 176.479 176.479 175.302 1.177 18182 9917 1 16 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.822 0.020 18182 9918 1 16 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.560 -0.842 18182 9919 1 16 . 1 1 50 50 ALA H H 708 9.205 9.205 8.913 0.292 18182 9920 1 16 . 1 1 51 51 ILE N N 709 120.037 120.037 121.233 -1.196 18182 9921 1 16 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.757 -0.011 18182 9922 1 16 . 1 1 51 51 ILE C C 709 175.120 175.120 174.724 0.396 18182 9923 1 16 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.118 0.605 18182 9924 1 16 . 1 1 51 51 ILE CB C 709 40.300 40.300 42.293 -1.993 18182 9925 1 16 . 1 1 51 51 ILE H H 709 9.262 9.262 8.783 0.479 18182 9926 1 16 . 1 1 52 52 SER N N 710 125.087 125.087 119.238 5.849 18182 9927 1 16 . 1 1 52 52 SER HA H 710 5.468 5.468 5.369 0.099 18182 9928 1 16 . 1 1 52 52 SER C C 710 172.060 172.060 172.167 -0.107 18182 9929 1 16 . 1 1 52 52 SER CA C 710 57.761 57.761 56.713 1.048 18182 9930 1 16 . 1 1 52 52 SER CB C 710 65.210 65.210 65.637 -0.427 18182 9931 1 16 . 1 1 52 52 SER H H 710 9.205 9.205 9.021 0.184 18182 9932 1 16 . 1 1 53 53 ILE N N 711 121.753 121.753 123.578 -1.825 18182 9933 1 16 . 1 1 53 53 ILE HA H 711 5.195 5.195 4.823 0.372 18182 9934 1 16 . 1 1 53 53 ILE C C 711 173.070 173.070 172.807 0.263 18182 9935 1 16 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.769 -2.014 18182 9936 1 16 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.135 0.222 18182 9937 1 16 . 1 1 53 53 ILE H H 711 8.989 8.989 8.771 0.218 18182 9938 1 16 . 1 1 54 54 LYS N N 712 128.758 128.758 128.039 0.719 18182 9939 1 16 . 1 1 54 54 LYS HA H 712 4.787 4.787 4.965 -0.178 18182 9940 1 16 . 1 1 54 54 LYS C C 712 174.899 174.899 174.684 0.215 18182 9941 1 16 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.697 -0.330 18182 9942 1 16 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.748 -0.390 18182 9943 1 16 . 1 1 54 54 LYS H H 712 8.894 8.894 8.549 0.345 18182 9944 1 16 . 1 1 55 55 PHE N N 713 130.369 130.369 126.474 3.895 18182 9945 1 16 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.680 0.267 18182 9946 1 16 . 1 1 55 55 PHE C C 713 174.238 174.238 173.475 0.763 18182 9947 1 16 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.602 0.563 18182 9948 1 16 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.778 -0.974 18182 9949 1 16 . 1 1 55 55 PHE H H 713 9.464 9.464 8.240 1.224 18182 9950 1 16 . 1 1 56 56 ASN N N 714 125.719 125.719 124.040 1.679 18182 9951 1 16 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.145 -0.204 18182 9952 1 16 . 1 1 56 56 ASN C C 714 174.003 174.003 173.986 0.017 18182 9953 1 16 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.875 1.355 18182 9954 1 16 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.159 -1.019 18182 9955 1 16 . 1 1 56 56 ASN H H 714 8.411 8.411 8.522 -0.111 18182 9956 1 16 . 1 1 57 57 ASP N N 715 117.904 117.904 115.415 2.489 18182 9957 1 16 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.274 0.347 18182 9958 1 16 . 1 1 57 57 ASP C C 715 174.858 174.858 174.561 0.297 18182 9959 1 16 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.597 -0.415 18182 9960 1 16 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.426 0.460 18182 9961 1 16 . 1 1 57 57 ASP H H 715 8.542 8.542 8.622 -0.080 18182 9962 1 16 . 1 1 58 58 GLU N N 716 118.707 118.707 118.040 0.667 18182 9963 1 16 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.553 0.157 18182 9964 1 16 . 1 1 58 58 GLU C C 716 173.755 173.755 175.089 -1.334 18182 9965 1 16 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.450 -0.403 18182 9966 1 16 . 1 1 58 58 GLU CB C 716 34.286 34.286 32.873 1.413 18182 9967 1 16 . 1 1 58 58 GLU H H 716 7.889 7.889 7.486 0.403 18182 9968 1 16 . 1 1 59 59 VAL N N 717 120.720 120.720 127.706 -6.986 18182 9969 1 16 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.048 0.382 18182 9970 1 16 . 1 1 59 59 VAL C C 717 175.071 175.071 175.458 -0.387 18182 9971 1 16 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.511 -0.372 18182 9972 1 16 . 1 1 59 59 VAL CB C 717 32.071 32.071 30.713 1.358 18182 9973 1 16 . 1 1 59 59 VAL H H 717 8.536 8.536 8.657 -0.121 18182 9974 1 16 . 1 1 60 60 LYS N N 718 126.403 126.403 127.910 -1.507 18182 9975 1 16 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.541 0.014 18182 9976 1 16 . 1 1 60 60 LYS C C 718 174.578 174.578 174.890 -0.312 18182 9977 1 16 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.800 -1.683 18182 9978 1 16 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.133 0.773 18182 9979 1 16 . 1 1 60 60 LYS H H 718 8.879 8.879 8.195 0.684 18182 9980 1 16 . 1 1 61 61 HIS N N 719 118.939 118.939 120.374 -1.435 18182 9981 1 16 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.298 0.212 18182 9982 1 16 . 1 1 61 61 HIS C C 719 174.482 174.482 175.059 -0.577 18182 9983 1 16 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.188 0.230 18182 9984 1 16 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.735 2.514 18182 9985 1 16 . 1 1 61 61 HIS H H 719 8.846 8.846 8.546 0.300 18182 9986 1 16 . 1 1 62 62 ILE N N 720 124.690 124.690 124.086 0.604 18182 9987 1 16 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.381 0.127 18182 9988 1 16 . 1 1 62 62 ILE C C 720 176.221 176.221 174.755 1.466 18182 9989 1 16 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.210 0.073 18182 9990 1 16 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.153 3.869 18182 9991 1 16 . 1 1 62 62 ILE H H 720 9.704 9.704 9.235 0.469 18182 9992 1 16 . 1 1 63 63 LYS N N 721 126.432 126.432 127.814 -1.382 18182 9993 1 16 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.439 -0.304 18182 9994 1 16 . 1 1 63 63 LYS C C 721 174.783 174.783 175.589 -0.806 18182 9995 1 16 . 1 1 63 63 LYS CA C 721 58.478 58.478 55.827 2.651 18182 9996 1 16 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.806 1.047 18182 9997 1 16 . 1 1 63 63 LYS H H 721 9.100 9.100 8.562 0.538 18182 9998 1 16 . 1 1 64 64 VAL N N 722 123.306 123.306 123.480 -0.174 18182 9999 1 16 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.086 0.172 18182 10000 1 16 . 1 1 64 64 VAL C C 722 174.284 174.284 174.375 -0.091 18182 10001 1 16 . 1 1 64 64 VAL CA C 722 61.293 61.293 62.408 -1.115 18182 10002 1 16 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.229 -0.683 18182 10003 1 16 . 1 1 64 64 VAL H H 722 8.441 8.441 8.475 -0.034 18182 10004 1 16 . 1 1 65 65 VAL N N 723 126.508 126.508 124.455 2.053 18182 10005 1 16 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.912 -0.630 18182 10006 1 16 . 1 1 65 65 VAL C C 723 174.127 174.127 174.924 -0.797 18182 10007 1 16 . 1 1 65 65 VAL CA C 723 61.600 61.600 59.917 1.683 18182 10008 1 16 . 1 1 65 65 VAL CB C 723 33.717 33.717 34.615 -0.898 18182 10009 1 16 . 1 1 65 65 VAL H H 723 8.462 8.462 8.541 -0.079 18182 10010 1 16 . 1 1 66 66 GLU N N 724 126.016 126.016 125.519 0.497 18182 10011 1 16 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.072 0.154 18182 10012 1 16 . 1 1 66 66 GLU C C 724 175.409 175.409 175.306 0.103 18182 10013 1 16 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.833 -0.082 18182 10014 1 16 . 1 1 66 66 GLU CB C 724 32.457 32.457 32.652 -0.195 18182 10015 1 16 . 1 1 66 66 GLU H H 724 8.619 8.619 8.006 0.613 18182 10016 1 16 . 1 1 67 67 LYS N N 725 125.813 125.813 125.522 0.291 18182 10017 1 16 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.671 -0.174 18182 10018 1 16 . 1 1 67 67 LYS C C 725 175.635 175.635 176.118 -0.483 18182 10019 1 16 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.685 0.738 18182 10020 1 16 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.036 0.262 18182 10021 1 16 . 1 1 67 67 LYS H H 725 8.740 8.740 8.694 0.046 18182 10022 1 16 . 1 1 68 68 ASP N N 726 126.958 126.958 124.298 2.660 18182 10023 1 16 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.277 -0.046 18182 10024 1 16 . 1 1 68 68 ASP C C 726 174.341 174.341 176.134 -1.793 18182 10025 1 16 . 1 1 68 68 ASP CA C 726 56.253 56.253 56.952 -0.699 18182 10026 1 16 . 1 1 68 68 ASP CB C 726 39.499 39.499 40.456 -0.957 18182 10027 1 16 . 1 1 68 68 ASP H H 726 9.499 9.499 9.050 0.449 18182 10028 1 16 . 1 1 69 69 ASN N N 727 110.214 110.214 118.644 -8.430 18182 10029 1 16 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.683 -0.418 18182 10030 1 16 . 1 1 69 69 ASN C C 727 173.779 173.779 172.878 0.901 18182 10031 1 16 . 1 1 69 69 ASN CA C 727 54.689 54.689 52.483 2.206 18182 10032 1 16 . 1 1 69 69 ASN CB C 727 37.488 37.488 39.713 -2.225 18182 10033 1 16 . 1 1 69 69 ASN H H 727 8.348 8.348 7.979 0.369 18182 10034 1 16 . 1 1 70 70 TRP N N 728 119.007 119.007 117.628 1.379 18182 10035 1 16 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.337 0.053 18182 10036 1 16 . 1 1 70 70 TRP C C 728 174.779 174.779 174.725 0.054 18182 10037 1 16 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.456 1.370 18182 10038 1 16 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.072 1.483 18182 10039 1 16 . 1 1 70 70 TRP H H 728 8.063 8.063 8.096 -0.033 18182 10040 1 16 . 1 1 71 71 ILE N N 729 122.016 122.016 121.593 0.423 18182 10041 1 16 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.923 0.677 18182 10042 1 16 . 1 1 71 71 ILE C C 729 175.184 175.184 174.187 0.997 18182 10043 1 16 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.774 -0.920 18182 10044 1 16 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.753 0.843 18182 10045 1 16 . 1 1 71 71 ILE H H 729 9.378 9.378 8.958 0.420 18182 10046 1 16 . 1 1 72 72 HIS N N 730 121.306 121.306 122.822 -1.516 18182 10047 1 16 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.098 0.120 18182 10048 1 16 . 1 1 72 72 HIS C C 730 173.714 173.714 174.592 -0.878 18182 10049 1 16 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.700 0.942 18182 10050 1 16 . 1 1 72 72 HIS CB C 730 32.505 32.505 32.050 0.456 18182 10051 1 16 . 1 1 72 72 HIS H H 730 9.048 9.048 8.865 0.183 18182 10052 1 16 . 1 1 73 73 ILE N N 731 112.643 112.643 116.571 -3.928 18182 10053 1 16 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.415 0.522 18182 10054 1 16 . 1 1 73 73 ILE C C 731 175.442 175.442 175.973 -0.531 18182 10055 1 16 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.567 0.111 18182 10056 1 16 . 1 1 73 73 ILE CB C 731 39.406 39.406 38.816 0.591 18182 10057 1 16 . 1 1 73 73 ILE H H 731 9.499 9.499 8.831 0.668 18182 10058 1 16 . 1 1 74 74 THR N N 732 115.752 115.752 112.159 3.593 18182 10059 1 16 . 1 1 74 74 THR HA H 732 4.812 4.812 4.361 0.451 18182 10060 1 16 . 1 1 74 74 THR C C 732 173.575 173.575 174.764 -1.189 18182 10061 1 16 . 1 1 74 74 THR CA C 732 58.650 58.650 60.321 -1.671 18182 10062 1 16 . 1 1 74 74 THR CB C 732 70.177 70.177 71.286 -1.109 18182 10063 1 16 . 1 1 74 74 THR H H 732 8.364 8.364 7.940 0.424 18182 10064 1 16 . 1 1 75 75 GLU N N 733 124.910 124.910 120.727 4.183 18182 10065 1 16 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.666 -1.693 18182 10066 1 16 . 1 1 75 75 GLU C C 733 175.609 175.609 175.090 0.519 18182 10067 1 16 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.370 2.292 18182 10068 1 16 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.039 -0.076 18182 10069 1 16 . 1 1 75 75 GLU H H 733 8.754 8.754 8.913 -0.159 18182 10070 1 16 . 1 1 76 76 ALA N N 734 117.847 117.847 121.111 -3.264 18182 10071 1 16 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.432 -0.492 18182 10072 1 16 . 1 1 76 76 ALA C C 734 177.033 177.033 176.564 0.469 18182 10073 1 16 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.604 0.570 18182 10074 1 16 . 1 1 76 76 ALA CB C 734 19.493 19.493 19.964 -0.471 18182 10075 1 16 . 1 1 76 76 ALA H H 734 7.538 7.538 7.395 0.143 18182 10076 1 16 . 1 1 77 77 LYS N N 735 119.518 119.518 121.038 -1.520 18182 10077 1 16 . 1 1 77 77 LYS HA H 735 4.111 4.111 3.963 0.148 18182 10078 1 16 . 1 1 77 77 LYS C C 735 171.953 171.953 175.289 -3.336 18182 10079 1 16 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.928 -1.229 18182 10080 1 16 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.029 0.256 18182 10081 1 16 . 1 1 77 77 LYS H H 735 7.326 7.326 7.785 -0.459 18182 10082 1 16 . 1 1 78 78 LYS N N 736 123.200 123.200 122.438 0.762 18182 10083 1 16 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.513 0.218 18182 10084 1 16 . 1 1 78 78 LYS C C 736 175.123 175.123 174.980 0.143 18182 10085 1 16 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.722 0.388 18182 10086 1 16 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.068 0.902 18182 10087 1 16 . 1 1 78 78 LYS H H 736 7.893 7.893 7.758 0.135 18182 10088 1 16 . 1 1 79 79 PHE N N 737 117.916 117.916 120.846 -2.930 18182 10089 1 16 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.739 0.255 18182 10090 1 16 . 1 1 79 79 PHE C C 737 175.595 175.595 176.471 -0.876 18182 10091 1 16 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.966 -0.025 18182 10092 1 16 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.194 1.219 18182 10093 1 16 . 1 1 79 79 PHE H H 737 9.121 9.121 8.724 0.397 18182 10094 1 16 . 1 1 80 80 ASP N N 738 119.341 119.341 120.228 -0.887 18182 10095 1 16 . 1 1 80 80 ASP HA H 738 4.749 4.749 4.905 -0.156 18182 10096 1 16 . 1 1 80 80 ASP C C 738 176.035 176.035 176.161 -0.126 18182 10097 1 16 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.350 0.362 18182 10098 1 16 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.130 -0.421 18182 10099 1 16 . 1 1 80 80 ASP H H 738 9.377 9.377 9.055 0.322 18182 10100 1 16 . 1 1 81 81 SER N N 739 108.518 108.518 110.583 -2.065 18182 10101 1 16 . 1 1 81 81 SER HA H 739 4.694 4.694 4.646 0.048 18182 10102 1 16 . 1 1 81 81 SER C C 739 173.791 173.791 173.409 0.382 18182 10103 1 16 . 1 1 81 81 SER CA C 739 57.049 57.049 57.664 -0.615 18182 10104 1 16 . 1 1 81 81 SER CB C 739 66.839 66.839 65.037 1.802 18182 10105 1 16 . 1 1 81 81 SER H H 739 7.447 7.447 7.601 -0.154 18182 10106 1 16 . 1 1 82 82 LEU N N 740 122.626 122.626 123.688 -1.062 18182 10107 1 16 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.168 -0.357 18182 10108 1 16 . 1 1 82 82 LEU C C 740 177.172 177.172 177.164 0.008 18182 10109 1 16 . 1 1 82 82 LEU CA C 740 57.469 57.469 57.849 -0.380 18182 10110 1 16 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.812 -0.993 18182 10111 1 16 . 1 1 82 82 LEU H H 740 8.969 8.969 8.658 0.311 18182 10112 1 16 . 1 1 83 83 LEU N N 741 116.575 116.575 119.450 -2.875 18182 10113 1 16 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.965 -0.128 18182 10114 1 16 . 1 1 83 83 LEU C C 741 177.492 177.492 178.932 -1.440 18182 10115 1 16 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.443 -0.179 18182 10116 1 16 . 1 1 83 83 LEU CB C 741 41.929 41.929 40.826 1.103 18182 10117 1 16 . 1 1 83 83 LEU H H 741 7.770 7.770 7.883 -0.113 18182 10118 1 16 . 1 1 84 84 GLU N N 742 116.865 116.865 118.839 -1.974 18182 10119 1 16 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.080 -0.162 18182 10120 1 16 . 1 1 84 84 GLU C C 742 178.252 178.252 179.414 -1.162 18182 10121 1 16 . 1 1 84 84 GLU CA C 742 59.391 59.391 60.074 -0.683 18182 10122 1 16 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.306 1.153 18182 10123 1 16 . 1 1 84 84 GLU H H 742 7.585 7.585 8.472 -0.887 18182 10124 1 16 . 1 1 85 85 LEU N N 743 122.164 122.164 120.943 1.221 18182 10125 1 16 . 1 1 85 85 LEU HA H 743 2.028 2.028 3.297 -1.269 18182 10126 1 16 . 1 1 85 85 LEU C C 743 177.335 177.335 178.308 -0.973 18182 10127 1 16 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.985 0.786 18182 10128 1 16 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.682 0.145 18182 10129 1 16 . 1 1 85 85 LEU H H 743 7.109 7.109 7.407 -0.298 18182 10130 1 16 . 1 1 86 86 VAL N N 744 119.760 119.760 119.649 0.111 18182 10131 1 16 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.344 -0.491 18182 10132 1 16 . 1 1 86 86 VAL C C 744 177.675 177.675 178.063 -0.388 18182 10133 1 16 . 1 1 86 86 VAL CA C 744 67.113 67.113 67.326 -0.213 18182 10134 1 16 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.137 -0.026 18182 10135 1 16 . 1 1 86 86 VAL H H 744 8.113 8.113 8.359 -0.246 18182 10136 1 16 . 1 1 87 87 GLU N N 745 116.227 116.227 119.140 -2.913 18182 10137 1 16 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.845 -0.083 18182 10138 1 16 . 1 1 87 87 GLU C C 745 179.530 179.530 179.149 0.381 18182 10139 1 16 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.772 -0.334 18182 10140 1 16 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.495 -0.343 18182 10141 1 16 . 1 1 87 87 GLU H H 745 8.182 8.182 8.204 -0.022 18182 10142 1 16 . 1 1 88 88 TYR N N 746 120.102 120.102 120.837 -0.735 18182 10143 1 16 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.068 0.079 18182 10144 1 16 . 1 1 88 88 TYR C C 746 179.970 179.970 178.171 1.799 18182 10145 1 16 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.164 0.566 18182 10146 1 16 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.610 0.278 18182 10147 1 16 . 1 1 88 88 TYR H H 746 7.795 7.795 7.910 -0.115 18182 10148 1 16 . 1 1 89 89 TYR N N 747 118.508 118.508 117.383 1.125 18182 10149 1 16 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.511 0.590 18182 10150 1 16 . 1 1 89 89 TYR C C 747 175.885 175.885 178.618 -2.733 18182 10151 1 16 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.197 -0.020 18182 10152 1 16 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.958 -0.915 18182 10153 1 16 . 1 1 89 89 TYR H H 747 7.798 7.798 8.252 -0.454 18182 10154 1 16 . 1 1 90 90 GLN N N 748 118.741 118.741 118.924 -0.183 18182 10155 1 16 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.769 0.651 18182 10156 1 16 . 1 1 90 90 GLN C C 748 177.767 177.767 177.404 0.363 18182 10157 1 16 . 1 1 90 90 GLN CA C 748 57.871 57.871 59.126 -1.255 18182 10158 1 16 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.582 0.091 18182 10159 1 16 . 1 1 90 90 GLN H H 748 7.925 7.925 8.209 -0.284 18182 10160 1 16 . 1 1 91 91 CYS N N 749 111.312 111.312 113.635 -2.323 18182 10161 1 16 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.253 0.388 18182 10162 1 16 . 1 1 91 91 CYS C C 749 173.010 173.010 174.692 -1.682 18182 10163 1 16 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.255 -1.720 18182 10164 1 16 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.367 -0.188 18182 10165 1 16 . 1 1 91 91 CYS H H 749 7.178 7.178 7.267 -0.089 18182 10166 1 16 . 1 1 92 92 HIS N N 750 120.386 120.386 119.206 1.180 18182 10167 1 16 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.485 -0.117 18182 10168 1 16 . 1 1 92 92 HIS C C 750 171.815 171.815 174.351 -2.536 18182 10169 1 16 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.431 -0.263 18182 10170 1 16 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.389 -1.083 18182 10171 1 16 . 1 1 92 92 HIS H H 750 7.540 7.540 7.870 -0.330 18182 10172 1 16 . 1 1 93 93 SER N N 751 113.259 113.259 116.621 -3.362 18182 10173 1 16 . 1 1 93 93 SER HA H 751 3.812 3.812 4.476 -0.664 18182 10174 1 16 . 1 1 93 93 SER C C 751 176.644 176.644 175.978 0.666 18182 10175 1 16 . 1 1 93 93 SER CA C 751 58.040 58.040 57.541 0.499 18182 10176 1 16 . 1 1 93 93 SER CB C 751 62.954 62.954 63.928 -0.974 18182 10177 1 16 . 1 1 93 93 SER H H 751 8.397 8.397 8.623 -0.226 18182 10178 1 16 . 1 1 94 94 LEU N N 752 127.166 127.166 126.379 0.787 18182 10179 1 16 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.264 -0.124 18182 10180 1 16 . 1 1 94 94 LEU C C 752 177.462 177.462 177.853 -0.391 18182 10181 1 16 . 1 1 94 94 LEU CA C 752 58.300 58.300 57.408 0.892 18182 10182 1 16 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.603 0.729 18182 10183 1 16 . 1 1 94 94 LEU H H 752 8.580 8.580 8.497 0.083 18182 10184 1 16 . 1 1 95 95 LYS N N 753 122.119 122.119 119.321 2.798 18182 10185 1 16 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.456 -0.016 18182 10186 1 16 . 1 1 95 95 LYS C C 753 176.253 176.253 179.034 -2.781 18182 10187 1 16 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.753 -1.524 18182 10188 1 16 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.514 0.830 18182 10189 1 16 . 1 1 95 95 LYS H H 753 8.322 8.322 7.707 0.615 18182 10190 1 16 . 1 1 96 96 GLU N N 754 115.310 115.310 118.686 -3.376 18182 10191 1 16 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.044 0.093 18182 10192 1 16 . 1 1 96 96 GLU C C 754 176.704 176.704 177.956 -1.252 18182 10193 1 16 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.770 -0.281 18182 10194 1 16 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.188 0.489 18182 10195 1 16 . 1 1 96 96 GLU H H 754 7.197 7.197 7.861 -0.664 18182 10196 1 16 . 1 1 97 97 SER N N 755 113.390 113.390 112.672 0.718 18182 10197 1 16 . 1 1 97 97 SER HA H 755 4.583 4.583 4.428 0.155 18182 10198 1 16 . 1 1 97 97 SER C C 755 171.185 171.185 174.584 -3.399 18182 10199 1 16 . 1 1 97 97 SER CA C 755 59.569 59.569 59.791 -0.222 18182 10200 1 16 . 1 1 97 97 SER CB C 755 66.435 66.435 64.665 1.770 18182 10201 1 16 . 1 1 97 97 SER H H 755 7.857 7.857 7.597 0.260 18182 10202 1 16 . 1 1 98 98 PHE N N 756 121.328 121.328 121.186 0.142 18182 10203 1 16 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.760 0.005 18182 10204 1 16 . 1 1 98 98 PHE C C 756 175.774 175.774 176.314 -0.540 18182 10205 1 16 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.253 0.618 18182 10206 1 16 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.127 1.584 18182 10207 1 16 . 1 1 98 98 PHE H H 756 8.409 8.409 8.482 -0.073 18182 10208 1 16 . 1 1 99 99 LYS N N 757 121.656 121.656 125.335 -3.679 18182 10209 1 16 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.076 0.037 18182 10210 1 16 . 1 1 99 99 LYS C C 757 177.188 177.188 177.717 -0.529 18182 10211 1 16 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.467 0.269 18182 10212 1 16 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.355 0.001 18182 10213 1 16 . 1 1 99 99 LYS H H 757 8.602 8.602 8.893 -0.291 18182 10214 1 16 . 1 1 100 100 GLN N N 758 115.783 115.783 117.200 -1.417 18182 10215 1 16 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.216 0.167 18182 10216 1 16 . 1 1 100 100 GLN C C 758 175.849 175.849 176.300 -0.451 18182 10217 1 16 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.586 -1.754 18182 10218 1 16 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.969 -0.652 18182 10219 1 16 . 1 1 100 100 GLN H H 758 9.139 9.139 8.532 0.607 18182 10220 1 16 . 1 1 101 101 LEU N N 759 124.876 124.876 119.214 5.662 18182 10221 1 16 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.611 -0.919 18182 10222 1 16 . 1 1 101 101 LEU C C 759 173.219 173.219 175.992 -2.773 18182 10223 1 16 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.493 -2.045 18182 10224 1 16 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.605 -1.617 18182 10225 1 16 . 1 1 101 101 LEU H H 759 7.924 7.924 7.552 0.372 18182 10226 1 16 . 1 1 102 102 ASP N N 760 119.263 119.263 118.081 1.182 18182 10227 1 16 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.772 -0.205 18182 10228 1 16 . 1 1 102 102 ASP C C 760 173.570 173.570 174.373 -0.803 18182 10229 1 16 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.957 -2.082 18182 10230 1 16 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.737 -2.708 18182 10231 1 16 . 1 1 102 102 ASP H H 760 6.564 6.564 8.484 -1.920 18182 10232 1 16 . 1 1 103 103 THR N N 761 117.311 117.311 113.851 3.460 18182 10233 1 16 . 1 1 103 103 THR HA H 761 4.701 4.701 4.401 0.300 18182 10234 1 16 . 1 1 103 103 THR C C 761 172.169 172.169 172.624 -0.455 18182 10235 1 16 . 1 1 103 103 THR CA C 761 60.491 60.491 59.669 0.822 18182 10236 1 16 . 1 1 103 103 THR CB C 761 69.358 69.358 69.564 -0.206 18182 10237 1 16 . 1 1 103 103 THR H H 761 7.699 7.699 7.488 0.211 18182 10238 1 16 . 1 1 104 104 THR N N 762 114.211 114.211 113.094 1.117 18182 10239 1 16 . 1 1 104 104 THR HA H 762 4.603 4.603 4.482 0.121 18182 10240 1 16 . 1 1 104 104 THR C C 762 175.647 175.647 173.355 2.292 18182 10241 1 16 . 1 1 104 104 THR CA C 762 60.899 60.899 59.872 1.027 18182 10242 1 16 . 1 1 104 104 THR CB C 762 70.981 70.981 72.038 -1.057 18182 10243 1 16 . 1 1 104 104 THR H H 762 7.300 7.300 7.868 -0.568 18182 10244 1 16 . 1 1 105 105 LEU N N 763 117.640 117.640 121.502 -3.862 18182 10245 1 16 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.851 -0.328 18182 10246 1 16 . 1 1 105 105 LEU C C 763 174.500 174.500 175.985 -1.485 18182 10247 1 16 . 1 1 105 105 LEU CA C 763 54.155 54.155 55.118 -0.963 18182 10248 1 16 . 1 1 105 105 LEU CB C 763 35.747 35.747 40.664 -4.917 18182 10249 1 16 . 1 1 105 105 LEU H H 763 8.113 8.113 8.116 -0.003 18182 10250 1 16 . 1 1 106 106 LYS N N 764 127.345 127.345 124.391 2.954 18182 10251 1 16 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.312 -0.301 18182 10252 1 16 . 1 1 106 106 LYS C C 764 176.781 176.781 176.212 0.569 18182 10253 1 16 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.197 3.691 18182 10254 1 16 . 1 1 106 106 LYS CB C 764 35.223 35.223 35.087 0.136 18182 10255 1 16 . 1 1 106 106 LYS H H 764 7.181 7.181 7.993 -0.812 18182 10256 1 16 . 1 1 107 107 TYR N N 765 115.756 115.756 119.394 -3.638 18182 10257 1 16 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.033 0.488 18182 10258 1 16 . 1 1 107 107 TYR C C 765 172.106 172.106 173.496 -1.390 18182 10259 1 16 . 1 1 107 107 TYR CA C 765 52.621 52.621 54.912 -2.291 18182 10260 1 16 . 1 1 107 107 TYR CB C 765 40.518 40.518 37.946 2.572 18182 10261 1 16 . 1 1 107 107 TYR H H 765 7.877 7.877 7.567 0.310 18182 10262 1 16 . 1 1 108 108 PRO HA H 766 3.673 3.673 3.981 -0.308 18182 10263 1 16 . 1 1 108 108 PRO C C 766 180.696 180.696 176.930 3.766 18182 10264 1 16 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.957 0.654 18182 10265 1 16 . 1 1 109 109 TYR N N 767 122.570 122.570 115.514 7.056 18182 10266 1 16 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.205 -0.388 18182 10267 1 16 . 1 1 109 109 TYR C C 767 174.769 174.769 176.964 -2.195 18182 10268 1 16 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.418 1.765 18182 10269 1 16 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.289 -0.822 18182 10270 1 16 . 1 1 109 109 TYR H H 767 8.341 8.341 8.131 0.210 18182 10271 1 16 . 1 1 110 110 LYS N N 768 118.398 118.398 120.383 -1.985 18182 10272 1 16 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.922 0.020 18182 10273 1 16 . 1 1 110 110 LYS C C 768 176.453 176.453 176.026 0.427 18182 10274 1 16 . 1 1 110 110 LYS CA C 768 56.901 56.901 58.689 -1.788 18182 10275 1 16 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.463 0.118 18182 10276 1 16 . 1 1 110 110 LYS H H 768 6.790 6.790 7.223 -0.433 18182 10277 1 16 . 1 1 111 111 SER N N 769 114.260 114.260 113.613 0.647 18182 10278 1 16 . 1 1 111 111 SER HA H 769 4.384 4.384 4.549 -0.165 18182 10279 1 16 . 1 1 111 111 SER C C 769 174.124 174.124 173.606 0.518 18182 10280 1 16 . 1 1 111 111 SER CA C 769 58.802 58.802 57.560 1.242 18182 10281 1 16 . 1 1 111 111 SER CB C 769 64.206 64.206 63.432 0.774 18182 10282 1 16 . 1 1 111 111 SER H H 769 7.769 7.769 7.913 -0.144 18182 10283 1 16 . 1 1 112 112 ARG N N 770 122.485 122.485 124.908 -2.423 18182 10284 1 16 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.370 0.008 18182 10285 1 16 . 1 1 112 112 ARG C C 770 175.139 175.139 176.228 -1.089 18182 10286 1 16 . 1 1 112 112 ARG CA C 770 55.628 55.628 56.020 -0.392 18182 10287 1 16 . 1 1 112 112 ARG CB C 770 30.935 30.935 31.632 -0.697 18182 10288 1 16 . 1 1 112 112 ARG H H 770 8.109 8.109 8.435 -0.326 18182 10289 1 17 . 1 1 2 2 ARG N N 660 123.565 123.565 122.332 1.233 18182 10290 1 17 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.368 0.262 18182 10291 1 17 . 1 1 2 2 ARG C C 660 173.529 173.529 174.998 -1.469 18182 10292 1 17 . 1 1 2 2 ARG CA C 660 53.869 53.869 57.073 -3.204 18182 10293 1 17 . 1 1 2 2 ARG CB C 660 30.428 30.428 29.536 0.892 18182 10294 1 17 . 1 1 2 2 ARG H H 660 8.295 8.295 8.464 -0.169 18182 10295 1 17 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.591 0.081 18182 10296 1 17 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.568 -0.156 18182 10297 1 17 . 1 1 4 4 PRO C C 662 177.096 177.096 175.926 1.170 18182 10298 1 17 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.626 0.671 18182 10299 1 17 . 1 1 4 4 PRO CB C 662 32.022 32.022 30.718 1.304 18182 10300 1 17 . 1 1 5 5 SER N N 663 116.025 116.025 116.956 -0.931 18182 10301 1 17 . 1 1 5 5 SER HA H 663 4.374 4.374 4.651 -0.277 18182 10302 1 17 . 1 1 5 5 SER C C 663 174.815 174.815 174.212 0.603 18182 10303 1 17 . 1 1 5 5 SER CA C 663 58.797 58.797 57.973 0.824 18182 10304 1 17 . 1 1 5 5 SER CB C 663 64.024 64.024 62.960 1.064 18182 10305 1 17 . 1 1 5 5 SER H H 663 8.406 8.406 8.162 0.244 18182 10306 1 17 . 1 1 6 6 ARG N N 664 122.062 122.062 121.428 0.634 18182 10307 1 17 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.416 -0.037 18182 10308 1 17 . 1 1 6 6 ARG C C 664 175.958 175.958 175.730 0.228 18182 10309 1 17 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.049 0.087 18182 10310 1 17 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.588 -0.876 18182 10311 1 17 . 1 1 6 6 ARG H H 664 8.371 8.371 8.129 0.242 18182 10312 1 17 . 1 1 7 7 GLU N N 665 122.160 122.160 119.936 2.224 18182 10313 1 17 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.574 -0.261 18182 10314 1 17 . 1 1 7 7 GLU C C 665 175.842 175.842 175.472 0.370 18182 10315 1 17 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.870 0.540 18182 10316 1 17 . 1 1 7 7 GLU CB C 665 29.972 29.972 31.137 -1.165 18182 10317 1 17 . 1 1 7 7 GLU H H 665 8.352 8.352 8.169 0.183 18182 10318 1 17 . 1 1 8 8 ILE N N 666 123.828 123.828 124.106 -0.278 18182 10319 1 17 . 1 1 8 8 ILE HA H 666 3.840 3.840 3.949 -0.109 18182 10320 1 17 . 1 1 8 8 ILE C C 666 174.373 174.373 174.895 -0.522 18182 10321 1 17 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.284 -0.357 18182 10322 1 17 . 1 1 8 8 ILE CB C 666 39.541 39.541 37.950 1.591 18182 10323 1 17 . 1 1 8 8 ILE H H 666 7.938 7.938 8.607 -0.669 18182 10324 1 17 . 1 1 9 9 ASP N N 667 124.338 124.338 128.625 -4.287 18182 10325 1 17 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.294 0.325 18182 10326 1 17 . 1 1 9 9 ASP C C 667 177.006 177.006 176.273 0.733 18182 10327 1 17 . 1 1 9 9 ASP CA C 667 52.052 52.052 54.522 -2.470 18182 10328 1 17 . 1 1 9 9 ASP CB C 667 40.364 40.364 39.933 0.431 18182 10329 1 17 . 1 1 9 9 ASP H H 667 8.111 8.111 8.650 -0.539 18182 10330 1 17 . 1 1 10 10 TYR N N 668 125.199 125.199 123.406 1.793 18182 10331 1 17 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.440 -0.252 18182 10332 1 17 . 1 1 10 10 TYR C C 668 175.947 175.947 176.633 -0.686 18182 10333 1 17 . 1 1 10 10 TYR CA C 668 60.683 60.683 59.451 1.232 18182 10334 1 17 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.512 -1.276 18182 10335 1 17 . 1 1 10 10 TYR H H 668 8.495 8.495 7.749 0.746 18182 10336 1 17 . 1 1 11 11 THR N N 669 108.617 108.617 112.107 -3.490 18182 10337 1 17 . 1 1 11 11 THR HA H 669 4.148 4.148 3.226 0.922 18182 10338 1 17 . 1 1 11 11 THR C C 669 175.184 175.184 175.015 0.169 18182 10339 1 17 . 1 1 11 11 THR CA C 669 65.022 65.022 64.343 0.679 18182 10340 1 17 . 1 1 11 11 THR CB C 669 69.280 69.280 67.332 1.948 18182 10341 1 17 . 1 1 11 11 THR H H 669 8.011 8.011 7.405 0.606 18182 10342 1 17 . 1 1 12 12 ALA N N 670 121.275 121.275 122.516 -1.241 18182 10343 1 17 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.962 0.114 18182 10344 1 17 . 1 1 12 12 ALA C C 670 177.815 177.815 177.737 0.078 18182 10345 1 17 . 1 1 12 12 ALA CA C 670 52.556 52.556 52.938 -0.382 18182 10346 1 17 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.701 0.173 18182 10347 1 17 . 1 1 12 12 ALA H H 670 7.411 7.411 7.162 0.249 18182 10348 1 17 . 1 1 13 13 TYR N N 671 117.883 117.883 117.685 0.198 18182 10349 1 17 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.500 -0.199 18182 10350 1 17 . 1 1 13 13 TYR C C 671 176.698 176.698 174.344 2.354 18182 10351 1 17 . 1 1 13 13 TYR CA C 671 56.986 56.986 55.197 1.790 18182 10352 1 17 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.122 -0.307 18182 10353 1 17 . 1 1 13 13 TYR H H 671 7.538 7.538 7.290 0.248 18182 10354 1 17 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.218 0.138 18182 10355 1 17 . 1 1 14 14 PRO C C 672 173.452 173.452 177.356 -3.904 18182 10356 1 17 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.642 -0.319 18182 10357 1 17 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.918 -0.695 18182 10358 1 17 . 1 1 15 15 TRP N N 673 110.044 110.044 114.069 -4.025 18182 10359 1 17 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.599 0.193 18182 10360 1 17 . 1 1 15 15 TRP C C 673 175.577 175.577 175.570 0.007 18182 10361 1 17 . 1 1 15 15 TRP CA C 673 53.157 53.157 55.214 -2.057 18182 10362 1 17 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.655 3.718 18182 10363 1 17 . 1 1 15 15 TRP H H 673 6.229 6.229 7.506 -1.277 18182 10364 1 17 . 1 1 16 16 PHE N N 674 123.205 123.205 123.355 -0.150 18182 10365 1 17 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.416 0.755 18182 10366 1 17 . 1 1 16 16 PHE C C 674 174.832 174.832 174.514 0.318 18182 10367 1 17 . 1 1 16 16 PHE CA C 674 59.872 59.872 58.470 1.402 18182 10368 1 17 . 1 1 16 16 PHE CB C 674 40.208 40.208 39.260 0.948 18182 10369 1 17 . 1 1 16 16 PHE H H 674 7.625 7.625 7.131 0.494 18182 10370 1 17 . 1 1 17 17 ALA N N 675 130.669 130.669 130.946 -0.277 18182 10371 1 17 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.634 0.314 18182 10372 1 17 . 1 1 17 17 ALA C C 675 177.266 177.266 175.944 1.322 18182 10373 1 17 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.011 1.257 18182 10374 1 17 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.028 0.400 18182 10375 1 17 . 1 1 17 17 ALA H H 675 9.097 9.097 7.840 1.257 18182 10376 1 17 . 1 1 18 18 GLY C C 676 174.230 174.230 173.937 0.293 18182 10377 1 17 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.529 2.401 18182 10378 1 17 . 1 1 19 19 ASN N N 677 124.910 124.910 119.844 5.066 18182 10379 1 17 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.588 0.306 18182 10380 1 17 . 1 1 19 19 ASN C C 677 174.597 174.597 174.657 -0.060 18182 10381 1 17 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.006 -0.064 18182 10382 1 17 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.472 -0.513 18182 10383 1 17 . 1 1 19 19 ASN H H 677 8.682 8.682 8.493 0.189 18182 10384 1 17 . 1 1 20 20 MET N N 678 122.347 122.347 122.809 -0.462 18182 10385 1 17 . 1 1 20 20 MET HA H 678 4.115 4.115 4.461 -0.346 18182 10386 1 17 . 1 1 20 20 MET C C 678 175.451 175.451 175.557 -0.106 18182 10387 1 17 . 1 1 20 20 MET CA C 678 56.675 56.675 55.435 1.240 18182 10388 1 17 . 1 1 20 20 MET CB C 678 35.208 35.208 34.358 0.850 18182 10389 1 17 . 1 1 20 20 MET H H 678 7.006 7.006 7.647 -0.641 18182 10390 1 17 . 1 1 21 21 GLU N N 679 124.989 124.989 121.260 3.729 18182 10391 1 17 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.305 -0.014 18182 10392 1 17 . 1 1 21 21 GLU C C 679 178.232 178.232 178.161 0.071 18182 10393 1 17 . 1 1 21 21 GLU CA C 679 56.127 56.127 56.625 -0.498 18182 10394 1 17 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.812 0.120 18182 10395 1 17 . 1 1 21 21 GLU H H 679 8.761 8.761 8.645 0.116 18182 10396 1 17 . 1 1 22 22 ARG N N 680 125.521 125.521 122.600 2.921 18182 10397 1 17 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.039 -0.703 18182 10398 1 17 . 1 1 22 22 ARG C C 680 177.707 177.707 178.552 -0.845 18182 10399 1 17 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.791 0.253 18182 10400 1 17 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.056 0.001 18182 10401 1 17 . 1 1 22 22 ARG H H 680 9.406 9.406 8.889 0.517 18182 10402 1 17 . 1 1 23 23 GLN N N 681 117.320 117.320 118.737 -1.417 18182 10403 1 17 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.121 -0.056 18182 10404 1 17 . 1 1 23 23 GLN C C 681 178.317 178.317 178.458 -0.141 18182 10405 1 17 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.988 0.763 18182 10406 1 17 . 1 1 23 23 GLN CB C 681 27.784 27.784 28.275 -0.491 18182 10407 1 17 . 1 1 23 23 GLN H H 681 9.048 9.048 8.632 0.416 18182 10408 1 17 . 1 1 24 24 GLN N N 682 117.909 117.909 119.572 -1.663 18182 10409 1 17 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.149 -0.028 18182 10410 1 17 . 1 1 24 24 GLN C C 682 178.190 178.190 178.577 -0.387 18182 10411 1 17 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.046 -0.303 18182 10412 1 17 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.210 0.105 18182 10413 1 17 . 1 1 24 24 GLN H H 682 7.182 7.182 8.323 -1.141 18182 10414 1 17 . 1 1 25 25 THR N N 683 117.007 117.007 116.347 0.660 18182 10415 1 17 . 1 1 25 25 THR HA H 683 3.681 3.681 3.977 -0.296 18182 10416 1 17 . 1 1 25 25 THR C C 683 175.786 175.786 176.537 -0.751 18182 10417 1 17 . 1 1 25 25 THR CA C 683 67.702 67.702 67.769 -0.067 18182 10418 1 17 . 1 1 25 25 THR CB C 683 68.000 68.000 68.397 -0.397 18182 10419 1 17 . 1 1 25 25 THR H H 683 7.903 7.903 8.324 -0.421 18182 10420 1 17 . 1 1 26 26 ASP N N 684 122.824 122.824 121.643 1.181 18182 10421 1 17 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.461 -0.181 18182 10422 1 17 . 1 1 26 26 ASP C C 684 178.269 178.269 178.551 -0.282 18182 10423 1 17 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.245 0.891 18182 10424 1 17 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.789 -0.611 18182 10425 1 17 . 1 1 26 26 ASP H H 684 8.430 8.430 8.146 0.284 18182 10426 1 17 . 1 1 27 27 ASN N N 685 115.634 115.634 118.593 -2.959 18182 10427 1 17 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.543 -0.184 18182 10428 1 17 . 1 1 27 27 ASN C C 685 177.065 177.065 178.193 -1.128 18182 10429 1 17 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.694 0.217 18182 10430 1 17 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.748 -0.242 18182 10431 1 17 . 1 1 27 27 ASN H H 685 7.647 7.647 8.130 -0.483 18182 10432 1 17 . 1 1 28 28 LEU N N 686 120.594 120.594 121.904 -1.310 18182 10433 1 17 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.075 0.154 18182 10434 1 17 . 1 1 28 28 LEU C C 686 179.502 179.502 178.507 0.995 18182 10435 1 17 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.383 -0.403 18182 10436 1 17 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.271 0.832 18182 10437 1 17 . 1 1 28 28 LEU H H 686 8.093 8.093 8.566 -0.473 18182 10438 1 17 . 1 1 29 29 LEU N N 687 115.149 115.149 117.623 -2.474 18182 10439 1 17 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.176 -0.094 18182 10440 1 17 . 1 1 29 29 LEU C C 687 178.910 178.910 179.580 -0.670 18182 10441 1 17 . 1 1 29 29 LEU CA C 687 56.917 56.917 57.391 -0.474 18182 10442 1 17 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.536 1.362 18182 10443 1 17 . 1 1 29 29 LEU H H 687 8.386 8.386 8.060 0.326 18182 10444 1 17 . 1 1 30 30 LYS N N 688 118.086 118.086 118.457 -0.371 18182 10445 1 17 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.004 -0.266 18182 10446 1 17 . 1 1 30 30 LYS C C 688 177.312 177.312 178.773 -1.461 18182 10447 1 17 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.299 1.210 18182 10448 1 17 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.264 -0.174 18182 10449 1 17 . 1 1 30 30 LYS H H 688 7.752 7.752 7.804 -0.052 18182 10450 1 17 . 1 1 31 31 SER N N 689 111.134 111.134 113.327 -2.193 18182 10451 1 17 . 1 1 31 31 SER HA H 689 4.460 4.460 4.266 0.194 18182 10452 1 17 . 1 1 31 31 SER C C 689 174.501 174.501 175.268 -0.767 18182 10453 1 17 . 1 1 31 31 SER CA C 689 58.559 58.559 60.188 -1.629 18182 10454 1 17 . 1 1 31 31 SER CB C 689 63.528 63.528 63.492 0.036 18182 10455 1 17 . 1 1 31 31 SER H H 689 7.629 7.629 7.562 0.067 18182 10456 1 17 . 1 1 32 32 HIS N N 690 120.218 120.218 119.588 0.630 18182 10457 1 17 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.545 0.111 18182 10458 1 17 . 1 1 32 32 HIS C C 690 173.855 173.855 174.643 -0.788 18182 10459 1 17 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.617 -0.398 18182 10460 1 17 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.578 1.346 18182 10461 1 17 . 1 1 32 32 HIS H H 690 7.701 7.701 7.407 0.294 18182 10462 1 17 . 1 1 33 33 ALA N N 691 120.317 120.317 122.314 -1.997 18182 10463 1 17 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.523 -0.192 18182 10464 1 17 . 1 1 33 33 ALA C C 691 179.494 179.494 177.020 2.474 18182 10465 1 17 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.480 0.369 18182 10466 1 17 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.352 -0.307 18182 10467 1 17 . 1 1 33 33 ALA H H 691 8.453 8.453 8.614 -0.161 18182 10468 1 17 . 1 1 34 34 SER N N 692 117.274 117.274 115.484 1.790 18182 10469 1 17 . 1 1 34 34 SER HA H 692 4.089 4.089 4.598 -0.509 18182 10470 1 17 . 1 1 34 34 SER C C 692 175.336 175.336 175.619 -0.283 18182 10471 1 17 . 1 1 34 34 SER CA C 692 60.531 60.531 60.159 0.372 18182 10472 1 17 . 1 1 34 34 SER CB C 692 63.308 63.308 62.514 0.794 18182 10473 1 17 . 1 1 34 34 SER H H 692 8.997 8.997 8.765 0.232 18182 10474 1 17 . 1 1 35 35 GLY N N 693 113.573 113.573 114.826 -1.253 18182 10475 1 17 . 1 1 35 35 GLY C C 693 174.808 174.808 174.500 0.308 18182 10476 1 17 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.157 -0.298 18182 10477 1 17 . 1 1 35 35 GLY H H 693 9.926 9.926 9.117 0.809 18182 10478 1 17 . 1 1 36 36 THR N N 694 121.076 121.076 121.605 -0.529 18182 10479 1 17 . 1 1 36 36 THR HA H 694 5.962 5.962 4.950 1.012 18182 10480 1 17 . 1 1 36 36 THR C C 694 173.297 173.297 173.992 -0.695 18182 10481 1 17 . 1 1 36 36 THR CA C 694 63.612 63.612 64.917 -1.305 18182 10482 1 17 . 1 1 36 36 THR CB C 694 68.317 68.317 68.577 -0.260 18182 10483 1 17 . 1 1 36 36 THR H H 694 8.291 8.291 7.612 0.679 18182 10484 1 17 . 1 1 37 37 TYR N N 695 123.616 123.616 124.141 -0.525 18182 10485 1 17 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.751 0.290 18182 10486 1 17 . 1 1 37 37 TYR C C 695 171.831 171.831 173.375 -1.544 18182 10487 1 17 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.840 0.465 18182 10488 1 17 . 1 1 37 37 TYR CB C 695 44.359 44.359 42.191 2.168 18182 10489 1 17 . 1 1 37 37 TYR H H 695 8.805 8.805 8.902 -0.097 18182 10490 1 17 . 1 1 38 38 LEU N N 696 115.449 115.449 115.738 -0.289 18182 10491 1 17 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.232 -0.073 18182 10492 1 17 . 1 1 38 38 LEU C C 696 174.331 174.331 174.757 -0.426 18182 10493 1 17 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.870 -1.013 18182 10494 1 17 . 1 1 38 38 LEU CB C 696 46.893 46.893 45.976 0.917 18182 10495 1 17 . 1 1 38 38 LEU H H 696 9.105 9.105 8.526 0.579 18182 10496 1 17 . 1 1 39 39 ILE N N 697 121.911 121.911 121.377 0.534 18182 10497 1 17 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.863 0.556 18182 10498 1 17 . 1 1 39 39 ILE C C 697 173.476 173.476 174.926 -1.450 18182 10499 1 17 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.521 -0.596 18182 10500 1 17 . 1 1 39 39 ILE CB C 697 38.929 38.929 39.322 -0.393 18182 10501 1 17 . 1 1 39 39 ILE H H 697 9.313 9.313 8.305 1.008 18182 10502 1 17 . 1 1 40 40 ARG N N 698 122.878 122.878 124.683 -1.805 18182 10503 1 17 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.329 -0.037 18182 10504 1 17 . 1 1 40 40 ARG C C 698 174.308 174.308 175.067 -0.759 18182 10505 1 17 . 1 1 40 40 ARG CA C 698 51.744 51.744 52.618 -0.874 18182 10506 1 17 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.631 -0.114 18182 10507 1 17 . 1 1 40 40 ARG H H 698 9.185 9.185 9.002 0.183 18182 10508 1 17 . 1 1 41 41 GLU N N 699 122.405 122.405 120.242 2.163 18182 10509 1 17 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.546 0.351 18182 10510 1 17 . 1 1 41 41 GLU C C 699 176.242 176.242 175.505 0.737 18182 10511 1 17 . 1 1 41 41 GLU CA C 699 55.526 55.526 56.336 -0.810 18182 10512 1 17 . 1 1 41 41 GLU CB C 699 32.133 32.133 31.564 0.569 18182 10513 1 17 . 1 1 41 41 GLU H H 699 8.634 8.634 8.271 0.363 18182 10514 1 17 . 1 1 42 42 ARG N N 700 125.045 125.045 125.048 -0.003 18182 10515 1 17 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.706 -0.012 18182 10516 1 17 . 1 1 42 42 ARG CB C 700 31.573 31.573 32.442 -0.869 18182 10517 1 17 . 1 1 42 42 ARG H H 700 8.639 8.639 7.927 0.712 18182 10518 1 17 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.440 -0.026 18182 10519 1 17 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.043 0.368 18182 10520 1 17 . 1 1 43 43 PRO CB C 701 30.498 30.498 32.293 -1.795 18182 10521 1 17 . 1 1 44 44 ALA N N 702 122.925 122.925 128.113 -5.188 18182 10522 1 17 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.547 -0.225 18182 10523 1 17 . 1 1 44 44 ALA C C 702 176.610 176.610 176.728 -0.118 18182 10524 1 17 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.966 -0.164 18182 10525 1 17 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.166 0.225 18182 10526 1 17 . 1 1 44 44 ALA H H 702 7.888 7.888 8.157 -0.269 18182 10527 1 17 . 1 1 45 45 GLU N N 703 118.799 118.799 120.613 -1.814 18182 10528 1 17 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.173 0.064 18182 10529 1 17 . 1 1 45 45 GLU C C 703 176.717 176.717 177.306 -0.589 18182 10530 1 17 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.449 -1.548 18182 10531 1 17 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.465 0.622 18182 10532 1 17 . 1 1 45 45 GLU H H 703 7.947 7.947 8.706 -0.759 18182 10533 1 17 . 1 1 46 46 ALA N N 704 120.631 120.631 121.139 -0.508 18182 10534 1 17 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.285 0.130 18182 10535 1 17 . 1 1 46 46 ALA C C 704 178.411 178.411 177.182 1.229 18182 10536 1 17 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.234 0.974 18182 10537 1 17 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.280 -0.037 18182 10538 1 17 . 1 1 46 46 ALA H H 704 8.643 8.643 7.988 0.655 18182 10539 1 17 . 1 1 47 47 GLU N N 705 119.341 119.341 117.738 1.603 18182 10540 1 17 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.665 0.191 18182 10541 1 17 . 1 1 47 47 GLU C C 705 176.013 176.013 175.921 0.092 18182 10542 1 17 . 1 1 47 47 GLU CA C 705 54.858 54.858 56.884 -2.026 18182 10543 1 17 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.257 -3.423 18182 10544 1 17 . 1 1 47 47 GLU H H 705 7.635 7.635 8.179 -0.544 18182 10545 1 17 . 1 1 48 48 ARG N N 706 120.355 120.355 121.826 -1.471 18182 10546 1 17 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.360 -0.395 18182 10547 1 17 . 1 1 48 48 ARG C C 706 175.117 175.117 175.468 -0.351 18182 10548 1 17 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.739 1.416 18182 10549 1 17 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.261 -1.570 18182 10550 1 17 . 1 1 48 48 ARG H H 706 7.971 7.971 8.314 -0.343 18182 10551 1 17 . 1 1 49 49 PHE N N 707 112.251 112.251 116.016 -3.765 18182 10552 1 17 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.700 1.205 18182 10553 1 17 . 1 1 49 49 PHE C C 707 173.875 173.875 173.263 0.612 18182 10554 1 17 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.867 -2.058 18182 10555 1 17 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.614 -0.539 18182 10556 1 17 . 1 1 49 49 PHE H H 707 7.857 7.857 7.415 0.442 18182 10557 1 17 . 1 1 50 50 ALA N N 708 118.730 118.730 120.921 -2.191 18182 10558 1 17 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.246 0.208 18182 10559 1 17 . 1 1 50 50 ALA C C 708 176.479 176.479 175.229 1.250 18182 10560 1 17 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.371 0.471 18182 10561 1 17 . 1 1 50 50 ALA CB C 708 21.718 21.718 22.794 -1.076 18182 10562 1 17 . 1 1 50 50 ALA H H 708 9.205 9.205 9.229 -0.024 18182 10563 1 17 . 1 1 51 51 ILE N N 709 120.037 120.037 119.310 0.727 18182 10564 1 17 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.877 -0.131 18182 10565 1 17 . 1 1 51 51 ILE C C 709 175.120 175.120 174.769 0.351 18182 10566 1 17 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.057 0.666 18182 10567 1 17 . 1 1 51 51 ILE CB C 709 40.300 40.300 42.527 -2.227 18182 10568 1 17 . 1 1 51 51 ILE H H 709 9.262 9.262 8.496 0.766 18182 10569 1 17 . 1 1 52 52 SER N N 710 125.087 125.087 118.993 6.094 18182 10570 1 17 . 1 1 52 52 SER HA H 710 5.468 5.468 5.089 0.379 18182 10571 1 17 . 1 1 52 52 SER C C 710 172.060 172.060 172.514 -0.454 18182 10572 1 17 . 1 1 52 52 SER CA C 710 57.761 57.761 56.799 0.962 18182 10573 1 17 . 1 1 52 52 SER CB C 710 65.210 65.210 65.497 -0.287 18182 10574 1 17 . 1 1 52 52 SER H H 710 9.205 9.205 8.857 0.348 18182 10575 1 17 . 1 1 53 53 ILE N N 711 121.753 121.753 125.367 -3.614 18182 10576 1 17 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.143 0.052 18182 10577 1 17 . 1 1 53 53 ILE C C 711 173.070 173.070 173.035 0.035 18182 10578 1 17 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.163 -1.409 18182 10579 1 17 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.975 0.382 18182 10580 1 17 . 1 1 53 53 ILE H H 711 8.989 8.989 8.085 0.904 18182 10581 1 17 . 1 1 54 54 LYS N N 712 128.758 128.758 127.162 1.596 18182 10582 1 17 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.000 -0.213 18182 10583 1 17 . 1 1 54 54 LYS C C 712 174.899 174.899 174.707 0.192 18182 10584 1 17 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.913 -0.545 18182 10585 1 17 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.176 0.182 18182 10586 1 17 . 1 1 54 54 LYS H H 712 8.894 8.894 8.356 0.538 18182 10587 1 17 . 1 1 55 55 PHE N N 713 130.369 130.369 126.961 3.408 18182 10588 1 17 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.873 0.074 18182 10589 1 17 . 1 1 55 55 PHE C C 713 174.238 174.238 174.394 -0.156 18182 10590 1 17 . 1 1 55 55 PHE CA C 713 58.165 58.165 56.878 1.287 18182 10591 1 17 . 1 1 55 55 PHE CB C 713 41.804 41.804 43.043 -1.239 18182 10592 1 17 . 1 1 55 55 PHE H H 713 9.464 9.464 8.881 0.583 18182 10593 1 17 . 1 1 56 56 ASN N N 714 125.719 125.719 124.856 0.863 18182 10594 1 17 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.020 -0.079 18182 10595 1 17 . 1 1 56 56 ASN C C 714 174.003 174.003 174.479 -0.476 18182 10596 1 17 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.731 1.499 18182 10597 1 17 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.733 -1.593 18182 10598 1 17 . 1 1 56 56 ASN H H 714 8.411 8.411 8.469 -0.058 18182 10599 1 17 . 1 1 57 57 ASP N N 715 117.904 117.904 112.999 4.905 18182 10600 1 17 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.224 0.397 18182 10601 1 17 . 1 1 57 57 ASP C C 715 174.858 174.858 175.126 -0.268 18182 10602 1 17 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.072 -0.890 18182 10603 1 17 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.088 0.798 18182 10604 1 17 . 1 1 57 57 ASP H H 715 8.542 8.542 8.287 0.255 18182 10605 1 17 . 1 1 58 58 GLU N N 716 118.707 118.707 115.723 2.984 18182 10606 1 17 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.598 0.112 18182 10607 1 17 . 1 1 58 58 GLU C C 716 173.755 173.755 174.377 -0.622 18182 10608 1 17 . 1 1 58 58 GLU CA C 716 55.047 55.047 54.916 0.132 18182 10609 1 17 . 1 1 58 58 GLU CB C 716 34.286 34.286 34.488 -0.202 18182 10610 1 17 . 1 1 58 58 GLU H H 716 7.889 7.889 7.626 0.263 18182 10611 1 17 . 1 1 59 59 VAL N N 717 120.720 120.720 123.726 -3.006 18182 10612 1 17 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.435 -0.005 18182 10613 1 17 . 1 1 59 59 VAL C C 717 175.071 175.071 175.865 -0.794 18182 10614 1 17 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.157 -0.018 18182 10615 1 17 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.670 0.401 18182 10616 1 17 . 1 1 59 59 VAL H H 717 8.536 8.536 8.562 -0.026 18182 10617 1 17 . 1 1 60 60 LYS N N 718 126.403 126.403 127.060 -0.657 18182 10618 1 17 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.545 0.010 18182 10619 1 17 . 1 1 60 60 LYS C C 718 174.578 174.578 174.913 -0.335 18182 10620 1 17 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.170 -1.053 18182 10621 1 17 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.714 0.192 18182 10622 1 17 . 1 1 60 60 LYS H H 718 8.879 8.879 8.449 0.430 18182 10623 1 17 . 1 1 61 61 HIS N N 719 118.939 118.939 118.194 0.745 18182 10624 1 17 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.293 0.217 18182 10625 1 17 . 1 1 61 61 HIS C C 719 174.482 174.482 174.997 -0.515 18182 10626 1 17 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.416 0.002 18182 10627 1 17 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.239 3.010 18182 10628 1 17 . 1 1 61 61 HIS H H 719 8.846 8.846 8.300 0.546 18182 10629 1 17 . 1 1 62 62 ILE N N 720 124.690 124.690 125.282 -0.592 18182 10630 1 17 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.354 0.154 18182 10631 1 17 . 1 1 62 62 ILE C C 720 176.221 176.221 174.886 1.335 18182 10632 1 17 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.380 -0.097 18182 10633 1 17 . 1 1 62 62 ILE CB C 720 43.022 43.022 38.923 4.099 18182 10634 1 17 . 1 1 62 62 ILE H H 720 9.704 9.704 8.882 0.822 18182 10635 1 17 . 1 1 63 63 LYS N N 721 126.432 126.432 127.636 -1.204 18182 10636 1 17 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.383 -0.248 18182 10637 1 17 . 1 1 63 63 LYS C C 721 174.783 174.783 175.537 -0.754 18182 10638 1 17 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.498 1.980 18182 10639 1 17 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.910 0.943 18182 10640 1 17 . 1 1 63 63 LYS H H 721 9.100 9.100 8.625 0.475 18182 10641 1 17 . 1 1 64 64 VAL N N 722 123.306 123.306 122.734 0.572 18182 10642 1 17 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.297 -0.039 18182 10643 1 17 . 1 1 64 64 VAL C C 722 174.284 174.284 174.731 -0.447 18182 10644 1 17 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.931 -0.638 18182 10645 1 17 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.240 -0.695 18182 10646 1 17 . 1 1 64 64 VAL H H 722 8.441 8.441 8.272 0.169 18182 10647 1 17 . 1 1 65 65 VAL N N 723 126.508 126.508 127.004 -0.496 18182 10648 1 17 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.614 -0.332 18182 10649 1 17 . 1 1 65 65 VAL C C 723 174.127 174.127 174.282 -0.155 18182 10650 1 17 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.841 0.759 18182 10651 1 17 . 1 1 65 65 VAL CB C 723 33.717 33.717 34.074 -0.357 18182 10652 1 17 . 1 1 65 65 VAL H H 723 8.462 8.462 8.548 -0.086 18182 10653 1 17 . 1 1 66 66 GLU N N 724 126.016 126.016 128.988 -2.972 18182 10654 1 17 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.140 0.086 18182 10655 1 17 . 1 1 66 66 GLU C C 724 175.409 175.409 174.824 0.585 18182 10656 1 17 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.602 0.149 18182 10657 1 17 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.776 0.681 18182 10658 1 17 . 1 1 66 66 GLU H H 724 8.619 8.619 8.105 0.514 18182 10659 1 17 . 1 1 67 67 LYS N N 725 125.813 125.813 124.704 1.109 18182 10660 1 17 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.498 -0.001 18182 10661 1 17 . 1 1 67 67 LYS C C 725 175.635 175.635 175.243 0.392 18182 10662 1 17 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.885 0.539 18182 10663 1 17 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.240 0.058 18182 10664 1 17 . 1 1 67 67 LYS H H 725 8.740 8.740 8.289 0.451 18182 10665 1 17 . 1 1 68 68 ASP N N 726 126.958 126.958 122.202 4.756 18182 10666 1 17 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.224 0.007 18182 10667 1 17 . 1 1 68 68 ASP C C 726 174.341 174.341 175.040 -0.699 18182 10668 1 17 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.461 0.792 18182 10669 1 17 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.484 0.014 18182 10670 1 17 . 1 1 68 68 ASP H H 726 9.499 9.499 9.007 0.492 18182 10671 1 17 . 1 1 69 69 ASN N N 727 110.214 110.214 112.209 -1.995 18182 10672 1 17 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.166 0.099 18182 10673 1 17 . 1 1 69 69 ASN C C 727 173.779 173.779 173.102 0.677 18182 10674 1 17 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.658 0.031 18182 10675 1 17 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.334 0.154 18182 10676 1 17 . 1 1 69 69 ASN H H 727 8.348 8.348 8.405 -0.057 18182 10677 1 17 . 1 1 70 70 TRP N N 728 119.007 119.007 115.450 3.557 18182 10678 1 17 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.248 0.142 18182 10679 1 17 . 1 1 70 70 TRP C C 728 174.779 174.779 174.981 -0.202 18182 10680 1 17 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.360 1.466 18182 10681 1 17 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.427 1.128 18182 10682 1 17 . 1 1 70 70 TRP H H 728 8.063 8.063 7.471 0.592 18182 10683 1 17 . 1 1 71 71 ILE N N 729 122.016 122.016 122.227 -0.211 18182 10684 1 17 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.867 0.733 18182 10685 1 17 . 1 1 71 71 ILE C C 729 175.184 175.184 174.121 1.063 18182 10686 1 17 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.428 -0.574 18182 10687 1 17 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.843 0.753 18182 10688 1 17 . 1 1 71 71 ILE H H 729 9.378 9.378 9.403 -0.025 18182 10689 1 17 . 1 1 72 72 HIS N N 730 121.306 121.306 123.683 -2.377 18182 10690 1 17 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.155 0.063 18182 10691 1 17 . 1 1 72 72 HIS C C 730 173.714 173.714 174.290 -0.576 18182 10692 1 17 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.776 0.866 18182 10693 1 17 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.586 0.919 18182 10694 1 17 . 1 1 72 72 HIS H H 730 9.048 9.048 8.176 0.872 18182 10695 1 17 . 1 1 73 73 ILE N N 731 112.643 112.643 115.138 -2.495 18182 10696 1 17 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.535 0.402 18182 10697 1 17 . 1 1 73 73 ILE C C 731 175.442 175.442 175.552 -0.110 18182 10698 1 17 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.115 0.563 18182 10699 1 17 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.047 0.359 18182 10700 1 17 . 1 1 73 73 ILE H H 731 9.499 9.499 8.532 0.967 18182 10701 1 17 . 1 1 74 74 THR N N 732 115.752 115.752 109.834 5.918 18182 10702 1 17 . 1 1 74 74 THR HA H 732 4.812 4.812 4.633 0.179 18182 10703 1 17 . 1 1 74 74 THR C C 732 173.575 173.575 174.552 -0.977 18182 10704 1 17 . 1 1 74 74 THR CA C 732 58.650 58.650 59.677 -1.027 18182 10705 1 17 . 1 1 74 74 THR CB C 732 70.177 70.177 71.880 -1.703 18182 10706 1 17 . 1 1 74 74 THR H H 732 8.364 8.364 7.486 0.878 18182 10707 1 17 . 1 1 75 75 GLU N N 733 124.910 124.910 119.745 5.165 18182 10708 1 17 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.150 -1.177 18182 10709 1 17 . 1 1 75 75 GLU C C 733 175.609 175.609 175.687 -0.078 18182 10710 1 17 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.254 2.408 18182 10711 1 17 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.814 0.149 18182 10712 1 17 . 1 1 75 75 GLU H H 733 8.754 8.754 8.821 -0.067 18182 10713 1 17 . 1 1 76 76 ALA N N 734 117.847 117.847 121.107 -3.260 18182 10714 1 17 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.311 -0.371 18182 10715 1 17 . 1 1 76 76 ALA C C 734 177.033 177.033 177.278 -0.245 18182 10716 1 17 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.846 0.327 18182 10717 1 17 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.398 -0.905 18182 10718 1 17 . 1 1 76 76 ALA H H 734 7.538 7.538 7.651 -0.113 18182 10719 1 17 . 1 1 77 77 LYS N N 735 119.518 119.518 118.424 1.094 18182 10720 1 17 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.381 -0.270 18182 10721 1 17 . 1 1 77 77 LYS C C 735 171.953 171.953 173.780 -1.827 18182 10722 1 17 . 1 1 77 77 LYS CA C 735 54.699 54.699 54.982 -0.283 18182 10723 1 17 . 1 1 77 77 LYS CB C 735 33.285 33.285 35.386 -2.100 18182 10724 1 17 . 1 1 77 77 LYS H H 735 7.326 7.326 7.818 -0.492 18182 10725 1 17 . 1 1 78 78 LYS N N 736 123.200 123.200 118.316 4.884 18182 10726 1 17 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.424 0.307 18182 10727 1 17 . 1 1 78 78 LYS C C 736 175.123 175.123 174.730 0.393 18182 10728 1 17 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.705 0.405 18182 10729 1 17 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.515 0.455 18182 10730 1 17 . 1 1 78 78 LYS H H 736 7.893 7.893 7.724 0.169 18182 10731 1 17 . 1 1 79 79 PHE N N 737 117.916 117.916 118.694 -0.778 18182 10732 1 17 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.773 0.221 18182 10733 1 17 . 1 1 79 79 PHE C C 737 175.595 175.595 175.414 0.181 18182 10734 1 17 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.792 0.149 18182 10735 1 17 . 1 1 79 79 PHE CB C 737 43.413 43.413 43.140 0.273 18182 10736 1 17 . 1 1 79 79 PHE H H 737 9.121 9.121 8.613 0.508 18182 10737 1 17 . 1 1 80 80 ASP N N 738 119.341 119.341 119.516 -0.175 18182 10738 1 17 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.166 -0.417 18182 10739 1 17 . 1 1 80 80 ASP C C 738 176.035 176.035 176.209 -0.174 18182 10740 1 17 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.055 0.657 18182 10741 1 17 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.011 -0.302 18182 10742 1 17 . 1 1 80 80 ASP H H 738 9.377 9.377 8.864 0.513 18182 10743 1 17 . 1 1 81 81 SER N N 739 108.518 108.518 111.512 -2.994 18182 10744 1 17 . 1 1 81 81 SER HA H 739 4.694 4.694 4.821 -0.127 18182 10745 1 17 . 1 1 81 81 SER C C 739 173.791 173.791 174.150 -0.359 18182 10746 1 17 . 1 1 81 81 SER CA C 739 57.049 57.049 57.157 -0.108 18182 10747 1 17 . 1 1 81 81 SER CB C 739 66.839 66.839 65.815 1.024 18182 10748 1 17 . 1 1 81 81 SER H H 739 7.447 7.447 7.727 -0.280 18182 10749 1 17 . 1 1 82 82 LEU N N 740 122.626 122.626 124.293 -1.667 18182 10750 1 17 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.097 -0.286 18182 10751 1 17 . 1 1 82 82 LEU C C 740 177.172 177.172 178.048 -0.876 18182 10752 1 17 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.162 -0.693 18182 10753 1 17 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.211 -1.391 18182 10754 1 17 . 1 1 82 82 LEU H H 740 8.969 8.969 8.944 0.025 18182 10755 1 17 . 1 1 83 83 LEU N N 741 116.575 116.575 120.379 -3.804 18182 10756 1 17 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.902 -0.065 18182 10757 1 17 . 1 1 83 83 LEU C C 741 177.492 177.492 178.059 -0.567 18182 10758 1 17 . 1 1 83 83 LEU CA C 741 58.264 58.264 59.197 -0.933 18182 10759 1 17 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.787 0.142 18182 10760 1 17 . 1 1 83 83 LEU H H 741 7.770 7.770 7.901 -0.131 18182 10761 1 17 . 1 1 84 84 GLU N N 742 116.865 116.865 118.518 -1.653 18182 10762 1 17 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.023 -0.105 18182 10763 1 17 . 1 1 84 84 GLU C C 742 178.252 178.252 178.467 -0.215 18182 10764 1 17 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.522 -0.131 18182 10765 1 17 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.045 1.414 18182 10766 1 17 . 1 1 84 84 GLU H H 742 7.585 7.585 7.909 -0.324 18182 10767 1 17 . 1 1 85 85 LEU N N 743 122.164 122.164 120.488 1.676 18182 10768 1 17 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.541 -0.513 18182 10769 1 17 . 1 1 85 85 LEU C C 743 177.335 177.335 178.287 -0.952 18182 10770 1 17 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.753 1.018 18182 10771 1 17 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.726 0.101 18182 10772 1 17 . 1 1 85 85 LEU H H 743 7.109 7.109 7.081 0.028 18182 10773 1 17 . 1 1 86 86 VAL N N 744 119.760 119.760 118.706 1.054 18182 10774 1 17 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.306 -0.453 18182 10775 1 17 . 1 1 86 86 VAL C C 744 177.675 177.675 178.447 -0.772 18182 10776 1 17 . 1 1 86 86 VAL CA C 744 67.113 67.113 65.750 1.363 18182 10777 1 17 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.085 1.026 18182 10778 1 17 . 1 1 86 86 VAL H H 744 8.113 8.113 8.297 -0.184 18182 10779 1 17 . 1 1 87 87 GLU N N 745 116.227 116.227 119.172 -2.945 18182 10780 1 17 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.819 -0.057 18182 10781 1 17 . 1 1 87 87 GLU C C 745 179.530 179.530 179.231 0.299 18182 10782 1 17 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.123 0.315 18182 10783 1 17 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.200 -0.048 18182 10784 1 17 . 1 1 87 87 GLU H H 745 8.182 8.182 8.166 0.016 18182 10785 1 17 . 1 1 88 88 TYR N N 746 120.102 120.102 120.032 0.070 18182 10786 1 17 . 1 1 88 88 TYR HA H 746 4.147 4.147 3.816 0.331 18182 10787 1 17 . 1 1 88 88 TYR C C 746 179.970 179.970 178.148 1.822 18182 10788 1 17 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.261 0.469 18182 10789 1 17 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.419 0.470 18182 10790 1 17 . 1 1 88 88 TYR H H 746 7.795 7.795 8.311 -0.516 18182 10791 1 17 . 1 1 89 89 TYR N N 747 118.508 118.508 117.555 0.953 18182 10792 1 17 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.346 0.755 18182 10793 1 17 . 1 1 89 89 TYR C C 747 175.885 175.885 178.491 -2.606 18182 10794 1 17 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.503 -0.326 18182 10795 1 17 . 1 1 89 89 TYR CB C 747 37.043 37.043 38.077 -1.034 18182 10796 1 17 . 1 1 89 89 TYR H H 747 7.798 7.798 8.276 -0.478 18182 10797 1 17 . 1 1 90 90 GLN N N 748 118.741 118.741 117.558 1.183 18182 10798 1 17 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.844 0.576 18182 10799 1 17 . 1 1 90 90 GLN C C 748 177.767 177.767 176.641 1.126 18182 10800 1 17 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.467 -0.596 18182 10801 1 17 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.625 0.048 18182 10802 1 17 . 1 1 90 90 GLN H H 748 7.925 7.925 8.016 -0.091 18182 10803 1 17 . 1 1 91 91 CYS N N 749 111.312 111.312 113.949 -2.637 18182 10804 1 17 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.420 0.221 18182 10805 1 17 . 1 1 91 91 CYS C C 749 173.010 173.010 174.823 -1.813 18182 10806 1 17 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.468 -1.933 18182 10807 1 17 . 1 1 91 91 CYS CB C 749 29.179 29.179 30.013 -0.834 18182 10808 1 17 . 1 1 91 91 CYS H H 749 7.178 7.178 7.107 0.071 18182 10809 1 17 . 1 1 92 92 HIS N N 750 120.386 120.386 119.232 1.154 18182 10810 1 17 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.572 -0.204 18182 10811 1 17 . 1 1 92 92 HIS C C 750 171.815 171.815 174.505 -2.690 18182 10812 1 17 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.465 0.702 18182 10813 1 17 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.511 -1.205 18182 10814 1 17 . 1 1 92 92 HIS H H 750 7.540 7.540 7.774 -0.234 18182 10815 1 17 . 1 1 93 93 SER N N 751 113.259 113.259 117.336 -4.077 18182 10816 1 17 . 1 1 93 93 SER HA H 751 3.812 3.812 4.316 -0.504 18182 10817 1 17 . 1 1 93 93 SER C C 751 176.644 176.644 175.537 1.107 18182 10818 1 17 . 1 1 93 93 SER CA C 751 58.040 58.040 58.880 -0.840 18182 10819 1 17 . 1 1 93 93 SER CB C 751 62.954 62.954 64.035 -1.081 18182 10820 1 17 . 1 1 93 93 SER H H 751 8.397 8.397 8.772 -0.375 18182 10821 1 17 . 1 1 94 94 LEU N N 752 127.166 127.166 123.512 3.654 18182 10822 1 17 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.565 -0.425 18182 10823 1 17 . 1 1 94 94 LEU C C 752 177.462 177.462 177.666 -0.204 18182 10824 1 17 . 1 1 94 94 LEU CA C 752 58.300 58.300 55.398 2.902 18182 10825 1 17 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.421 0.911 18182 10826 1 17 . 1 1 94 94 LEU H H 752 8.580 8.580 8.669 -0.089 18182 10827 1 17 . 1 1 95 95 LYS N N 753 122.119 122.119 118.547 3.572 18182 10828 1 17 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.584 -0.144 18182 10829 1 17 . 1 1 95 95 LYS C C 753 176.253 176.253 178.086 -1.833 18182 10830 1 17 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.139 -0.910 18182 10831 1 17 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.880 0.464 18182 10832 1 17 . 1 1 95 95 LYS H H 753 8.322 8.322 8.235 0.087 18182 10833 1 17 . 1 1 96 96 GLU N N 754 115.310 115.310 119.561 -4.251 18182 10834 1 17 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.039 0.098 18182 10835 1 17 . 1 1 96 96 GLU C C 754 176.704 176.704 177.911 -1.207 18182 10836 1 17 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.726 -0.237 18182 10837 1 17 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.201 0.476 18182 10838 1 17 . 1 1 96 96 GLU H H 754 7.197 7.197 8.221 -1.024 18182 10839 1 17 . 1 1 97 97 SER N N 755 113.390 113.390 113.241 0.149 18182 10840 1 17 . 1 1 97 97 SER HA H 755 4.583 4.583 4.361 0.222 18182 10841 1 17 . 1 1 97 97 SER C C 755 171.185 171.185 174.394 -3.209 18182 10842 1 17 . 1 1 97 97 SER CA C 755 59.569 59.569 59.825 -0.256 18182 10843 1 17 . 1 1 97 97 SER CB C 755 66.435 66.435 64.103 2.332 18182 10844 1 17 . 1 1 97 97 SER H H 755 7.857 7.857 8.155 -0.298 18182 10845 1 17 . 1 1 98 98 PHE N N 756 121.328 121.328 121.159 0.169 18182 10846 1 17 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.798 -0.033 18182 10847 1 17 . 1 1 98 98 PHE C C 756 175.774 175.774 175.637 0.137 18182 10848 1 17 . 1 1 98 98 PHE CA C 756 56.871 56.871 54.592 2.279 18182 10849 1 17 . 1 1 98 98 PHE CB C 756 39.711 39.711 37.843 1.868 18182 10850 1 17 . 1 1 98 98 PHE H H 756 8.409 8.409 7.837 0.572 18182 10851 1 17 . 1 1 99 99 LYS N N 757 121.656 121.656 124.272 -2.616 18182 10852 1 17 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.190 -0.077 18182 10853 1 17 . 1 1 99 99 LYS C C 757 177.188 177.188 177.782 -0.594 18182 10854 1 17 . 1 1 99 99 LYS CA C 757 59.736 59.736 58.940 0.796 18182 10855 1 17 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.014 0.342 18182 10856 1 17 . 1 1 99 99 LYS H H 757 8.602 8.602 8.813 -0.211 18182 10857 1 17 . 1 1 100 100 GLN N N 758 115.783 115.783 116.679 -0.896 18182 10858 1 17 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.207 0.176 18182 10859 1 17 . 1 1 100 100 GLN C C 758 175.849 175.849 176.748 -0.899 18182 10860 1 17 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.706 -1.874 18182 10861 1 17 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.037 -0.720 18182 10862 1 17 . 1 1 100 100 GLN H H 758 9.139 9.139 8.586 0.553 18182 10863 1 17 . 1 1 101 101 LEU N N 759 124.876 124.876 118.220 6.656 18182 10864 1 17 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.769 -1.077 18182 10865 1 17 . 1 1 101 101 LEU C C 759 173.219 173.219 175.435 -2.216 18182 10866 1 17 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.441 -1.993 18182 10867 1 17 . 1 1 101 101 LEU CB C 759 41.988 41.988 44.706 -2.719 18182 10868 1 17 . 1 1 101 101 LEU H H 759 7.924 7.924 7.726 0.198 18182 10869 1 17 . 1 1 102 102 ASP N N 760 119.263 119.263 117.015 2.248 18182 10870 1 17 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.805 -0.238 18182 10871 1 17 . 1 1 102 102 ASP C C 760 173.570 173.570 174.477 -0.907 18182 10872 1 17 . 1 1 102 102 ASP CA C 760 51.875 51.875 54.191 -2.316 18182 10873 1 17 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.065 -2.036 18182 10874 1 17 . 1 1 102 102 ASP H H 760 6.564 6.564 8.642 -2.078 18182 10875 1 17 . 1 1 103 103 THR N N 761 117.311 117.311 113.616 3.695 18182 10876 1 17 . 1 1 103 103 THR HA H 761 4.701 4.701 4.547 0.154 18182 10877 1 17 . 1 1 103 103 THR C C 761 172.169 172.169 172.714 -0.545 18182 10878 1 17 . 1 1 103 103 THR CA C 761 60.491 60.491 59.896 0.595 18182 10879 1 17 . 1 1 103 103 THR CB C 761 69.358 69.358 69.390 -0.032 18182 10880 1 17 . 1 1 103 103 THR H H 761 7.699 7.699 7.469 0.230 18182 10881 1 17 . 1 1 104 104 THR N N 762 114.211 114.211 113.131 1.080 18182 10882 1 17 . 1 1 104 104 THR HA H 762 4.603 4.603 4.466 0.137 18182 10883 1 17 . 1 1 104 104 THR C C 762 175.647 175.647 173.642 2.005 18182 10884 1 17 . 1 1 104 104 THR CA C 762 60.899 60.899 60.363 0.536 18182 10885 1 17 . 1 1 104 104 THR CB C 762 70.981 70.981 71.773 -0.792 18182 10886 1 17 . 1 1 104 104 THR H H 762 7.300 7.300 7.847 -0.547 18182 10887 1 17 . 1 1 105 105 LEU N N 763 117.640 117.640 122.413 -4.773 18182 10888 1 17 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.696 -0.173 18182 10889 1 17 . 1 1 105 105 LEU C C 763 174.500 174.500 176.681 -2.181 18182 10890 1 17 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.727 -0.573 18182 10891 1 17 . 1 1 105 105 LEU CB C 763 35.747 35.747 38.953 -3.206 18182 10892 1 17 . 1 1 105 105 LEU H H 763 8.113 8.113 8.628 -0.515 18182 10893 1 17 . 1 1 106 106 LYS N N 764 127.345 127.345 123.150 4.195 18182 10894 1 17 . 1 1 106 106 LYS HA H 764 4.011 4.011 3.876 0.135 18182 10895 1 17 . 1 1 106 106 LYS C C 764 176.781 176.781 176.704 0.077 18182 10896 1 17 . 1 1 106 106 LYS CA C 764 59.888 59.888 58.327 1.561 18182 10897 1 17 . 1 1 106 106 LYS CB C 764 35.223 35.223 33.011 2.212 18182 10898 1 17 . 1 1 106 106 LYS H H 764 7.181 7.181 8.077 -0.896 18182 10899 1 17 . 1 1 107 107 TYR N N 765 115.756 115.756 115.790 -0.034 18182 10900 1 17 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.911 0.610 18182 10901 1 17 . 1 1 107 107 TYR C C 765 172.106 172.106 172.744 -0.638 18182 10902 1 17 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.008 -2.387 18182 10903 1 17 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.073 1.445 18182 10904 1 17 . 1 1 107 107 TYR H H 765 7.877 7.877 7.606 0.271 18182 10905 1 17 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.279 -0.606 18182 10906 1 17 . 1 1 108 108 PRO C C 766 180.696 180.696 176.984 3.712 18182 10907 1 17 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.796 0.815 18182 10908 1 17 . 1 1 109 109 TYR N N 767 122.570 122.570 115.791 6.779 18182 10909 1 17 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.132 -0.315 18182 10910 1 17 . 1 1 109 109 TYR C C 767 174.769 174.769 176.512 -1.743 18182 10911 1 17 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.993 1.190 18182 10912 1 17 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.120 -0.653 18182 10913 1 17 . 1 1 109 109 TYR H H 767 8.341 8.341 8.221 0.120 18182 10914 1 17 . 1 1 110 110 LYS N N 768 118.398 118.398 117.673 0.725 18182 10915 1 17 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.931 0.011 18182 10916 1 17 . 1 1 110 110 LYS C C 768 176.453 176.453 175.900 0.553 18182 10917 1 17 . 1 1 110 110 LYS CA C 768 56.901 56.901 56.331 0.570 18182 10918 1 17 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.797 -0.216 18182 10919 1 17 . 1 1 110 110 LYS H H 768 6.790 6.790 7.050 -0.260 18182 10920 1 17 . 1 1 111 111 SER N N 769 114.260 114.260 114.627 -0.367 18182 10921 1 17 . 1 1 111 111 SER HA H 769 4.384 4.384 4.236 0.148 18182 10922 1 17 . 1 1 111 111 SER C C 769 174.124 174.124 173.358 0.766 18182 10923 1 17 . 1 1 111 111 SER CA C 769 58.802 58.802 58.641 0.161 18182 10924 1 17 . 1 1 111 111 SER CB C 769 64.206 64.206 63.464 0.742 18182 10925 1 17 . 1 1 111 111 SER H H 769 7.769 7.769 7.838 -0.069 18182 10926 1 17 . 1 1 112 112 ARG N N 770 122.485 122.485 123.651 -1.166 18182 10927 1 17 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.392 -0.014 18182 10928 1 17 . 1 1 112 112 ARG C C 770 175.139 175.139 176.573 -1.434 18182 10929 1 17 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.348 0.280 18182 10930 1 17 . 1 1 112 112 ARG CB C 770 30.935 30.935 31.288 -0.353 18182 10931 1 17 . 1 1 112 112 ARG H H 770 8.109 8.109 8.408 -0.299 18182 10932 1 18 . 1 1 2 2 ARG N N 660 123.565 123.565 122.371 1.194 18182 10933 1 18 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.535 0.095 18182 10934 1 18 . 1 1 2 2 ARG C C 660 173.529 173.529 174.719 -1.190 18182 10935 1 18 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.612 -2.743 18182 10936 1 18 . 1 1 2 2 ARG CB C 660 30.428 30.428 30.024 0.404 18182 10937 1 18 . 1 1 2 2 ARG H H 660 8.295 8.295 8.119 0.176 18182 10938 1 18 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.729 -0.057 18182 10939 1 18 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.525 -0.113 18182 10940 1 18 . 1 1 4 4 PRO C C 662 177.096 177.096 176.356 0.740 18182 10941 1 18 . 1 1 4 4 PRO CA C 662 63.296 63.296 62.921 0.375 18182 10942 1 18 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.364 -0.342 18182 10943 1 18 . 1 1 5 5 SER N N 663 116.025 116.025 119.414 -3.389 18182 10944 1 18 . 1 1 5 5 SER HA H 663 4.374 4.374 4.591 -0.217 18182 10945 1 18 . 1 1 5 5 SER C C 663 174.815 174.815 174.467 0.348 18182 10946 1 18 . 1 1 5 5 SER CA C 663 58.797 58.797 57.893 0.904 18182 10947 1 18 . 1 1 5 5 SER CB C 663 64.024 64.024 64.017 0.007 18182 10948 1 18 . 1 1 5 5 SER H H 663 8.406 8.406 8.457 -0.051 18182 10949 1 18 . 1 1 6 6 ARG N N 664 122.062 122.062 124.623 -2.561 18182 10950 1 18 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.564 -0.185 18182 10951 1 18 . 1 1 6 6 ARG C C 664 175.958 175.958 175.587 0.371 18182 10952 1 18 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.900 0.236 18182 10953 1 18 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.576 0.136 18182 10954 1 18 . 1 1 6 6 ARG H H 664 8.371 8.371 8.704 -0.333 18182 10955 1 18 . 1 1 7 7 GLU N N 665 122.160 122.160 118.260 3.900 18182 10956 1 18 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.568 -0.255 18182 10957 1 18 . 1 1 7 7 GLU C C 665 175.842 175.842 175.008 0.834 18182 10958 1 18 . 1 1 7 7 GLU CA C 665 56.410 56.410 54.737 1.673 18182 10959 1 18 . 1 1 7 7 GLU CB C 665 29.972 29.972 32.492 -2.520 18182 10960 1 18 . 1 1 7 7 GLU H H 665 8.352 8.352 8.112 0.240 18182 10961 1 18 . 1 1 8 8 ILE N N 666 123.828 123.828 122.034 1.794 18182 10962 1 18 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.116 -0.276 18182 10963 1 18 . 1 1 8 8 ILE C C 666 174.373 174.373 174.632 -0.259 18182 10964 1 18 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.571 0.356 18182 10965 1 18 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.804 0.737 18182 10966 1 18 . 1 1 8 8 ILE H H 666 7.938 7.938 8.217 -0.280 18182 10967 1 18 . 1 1 9 9 ASP N N 667 124.338 124.338 128.892 -4.554 18182 10968 1 18 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.361 0.258 18182 10969 1 18 . 1 1 9 9 ASP C C 667 177.006 177.006 175.818 1.188 18182 10970 1 18 . 1 1 9 9 ASP CA C 667 52.052 52.052 54.834 -2.781 18182 10971 1 18 . 1 1 9 9 ASP CB C 667 40.364 40.364 40.278 0.086 18182 10972 1 18 . 1 1 9 9 ASP H H 667 8.111 8.111 8.678 -0.567 18182 10973 1 18 . 1 1 10 10 TYR N N 668 125.199 125.199 122.948 2.251 18182 10974 1 18 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.587 -0.399 18182 10975 1 18 . 1 1 10 10 TYR C C 668 175.947 175.947 177.539 -1.592 18182 10976 1 18 . 1 1 10 10 TYR CA C 668 60.683 60.683 59.406 1.277 18182 10977 1 18 . 1 1 10 10 TYR CB C 668 36.236 36.236 38.184 -1.948 18182 10978 1 18 . 1 1 10 10 TYR H H 668 8.495 8.495 7.814 0.681 18182 10979 1 18 . 1 1 11 11 THR N N 669 108.617 108.617 112.247 -3.630 18182 10980 1 18 . 1 1 11 11 THR HA H 669 4.148 4.148 3.073 1.075 18182 10981 1 18 . 1 1 11 11 THR C C 669 175.184 175.184 175.196 -0.012 18182 10982 1 18 . 1 1 11 11 THR CA C 669 65.022 65.022 64.110 0.912 18182 10983 1 18 . 1 1 11 11 THR CB C 669 69.280 69.280 67.792 1.488 18182 10984 1 18 . 1 1 11 11 THR H H 669 8.011 8.011 7.844 0.167 18182 10985 1 18 . 1 1 12 12 ALA N N 670 121.275 121.275 123.292 -2.017 18182 10986 1 18 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.997 0.079 18182 10987 1 18 . 1 1 12 12 ALA C C 670 177.815 177.815 177.559 0.256 18182 10988 1 18 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.099 -0.543 18182 10989 1 18 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.429 0.445 18182 10990 1 18 . 1 1 12 12 ALA H H 670 7.411 7.411 7.605 -0.194 18182 10991 1 18 . 1 1 13 13 TYR N N 671 117.883 117.883 117.155 0.728 18182 10992 1 18 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.237 0.064 18182 10993 1 18 . 1 1 13 13 TYR C C 671 176.698 176.698 174.613 2.085 18182 10994 1 18 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.028 0.958 18182 10995 1 18 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.002 -0.187 18182 10996 1 18 . 1 1 13 13 TYR H H 671 7.538 7.538 7.228 0.310 18182 10997 1 18 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.404 -0.048 18182 10998 1 18 . 1 1 14 14 PRO C C 672 173.452 173.452 175.830 -2.378 18182 10999 1 18 . 1 1 14 14 PRO CA C 672 64.323 64.323 63.443 0.880 18182 11000 1 18 . 1 1 14 14 PRO CB C 672 31.223 31.223 31.600 -0.377 18182 11001 1 18 . 1 1 15 15 TRP N N 673 110.044 110.044 113.902 -3.858 18182 11002 1 18 . 1 1 15 15 TRP HA H 673 4.792 4.792 5.139 -0.347 18182 11003 1 18 . 1 1 15 15 TRP C C 673 175.577 175.577 174.175 1.402 18182 11004 1 18 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.718 -1.561 18182 11005 1 18 . 1 1 15 15 TRP CB C 673 32.373 32.373 29.020 3.353 18182 11006 1 18 . 1 1 15 15 TRP H H 673 6.229 6.229 7.366 -1.137 18182 11007 1 18 . 1 1 16 16 PHE N N 674 123.205 123.205 124.067 -0.862 18182 11008 1 18 . 1 1 16 16 PHE HA H 674 5.171 5.171 5.045 0.126 18182 11009 1 18 . 1 1 16 16 PHE C C 674 174.832 174.832 173.383 1.449 18182 11010 1 18 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.722 3.150 18182 11011 1 18 . 1 1 16 16 PHE CB C 674 40.208 40.208 41.523 -1.315 18182 11012 1 18 . 1 1 16 16 PHE H H 674 7.625 7.625 7.634 -0.009 18182 11013 1 18 . 1 1 17 17 ALA N N 675 130.669 130.669 128.599 2.070 18182 11014 1 18 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.776 0.172 18182 11015 1 18 . 1 1 17 17 ALA C C 675 177.266 177.266 176.549 0.717 18182 11016 1 18 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.403 0.865 18182 11017 1 18 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.776 0.652 18182 11018 1 18 . 1 1 17 17 ALA H H 675 9.097 9.097 8.459 0.638 18182 11019 1 18 . 1 1 18 18 GLY C C 676 174.230 174.230 174.243 -0.013 18182 11020 1 18 . 1 1 18 18 GLY CA C 676 46.930 46.930 43.708 3.222 18182 11021 1 18 . 1 1 19 19 ASN N N 677 124.910 124.910 120.775 4.135 18182 11022 1 18 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.786 0.108 18182 11023 1 18 . 1 1 19 19 ASN C C 677 174.597 174.597 174.905 -0.308 18182 11024 1 18 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.509 -0.567 18182 11025 1 18 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.893 -0.934 18182 11026 1 18 . 1 1 19 19 ASN H H 677 8.682 8.682 8.637 0.045 18182 11027 1 18 . 1 1 20 20 MET N N 678 122.347 122.347 121.881 0.466 18182 11028 1 18 . 1 1 20 20 MET HA H 678 4.115 4.115 4.522 -0.407 18182 11029 1 18 . 1 1 20 20 MET C C 678 175.451 175.451 175.042 0.409 18182 11030 1 18 . 1 1 20 20 MET CA C 678 56.675 56.675 54.977 1.698 18182 11031 1 18 . 1 1 20 20 MET CB C 678 35.208 35.208 34.382 0.826 18182 11032 1 18 . 1 1 20 20 MET H H 678 7.006 7.006 7.940 -0.934 18182 11033 1 18 . 1 1 21 21 GLU N N 679 124.989 124.989 118.976 6.013 18182 11034 1 18 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.547 -0.256 18182 11035 1 18 . 1 1 21 21 GLU C C 679 178.232 178.232 177.595 0.637 18182 11036 1 18 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.485 0.642 18182 11037 1 18 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.005 -0.073 18182 11038 1 18 . 1 1 21 21 GLU H H 679 8.761 8.761 8.526 0.235 18182 11039 1 18 . 1 1 22 22 ARG N N 680 125.521 125.521 124.354 1.167 18182 11040 1 18 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.888 -0.552 18182 11041 1 18 . 1 1 22 22 ARG C C 680 177.707 177.707 177.941 -0.234 18182 11042 1 18 . 1 1 22 22 ARG CA C 680 61.044 61.044 59.799 1.245 18182 11043 1 18 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.327 0.730 18182 11044 1 18 . 1 1 22 22 ARG H H 680 9.406 9.406 8.808 0.598 18182 11045 1 18 . 1 1 23 23 GLN N N 681 117.320 117.320 117.732 -0.412 18182 11046 1 18 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.063 0.002 18182 11047 1 18 . 1 1 23 23 GLN C C 681 178.317 178.317 177.677 0.640 18182 11048 1 18 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.271 1.480 18182 11049 1 18 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.568 0.216 18182 11050 1 18 . 1 1 23 23 GLN H H 681 9.048 9.048 8.443 0.605 18182 11051 1 18 . 1 1 24 24 GLN N N 682 117.909 117.909 120.637 -2.728 18182 11052 1 18 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.143 -0.022 18182 11053 1 18 . 1 1 24 24 GLN C C 682 178.190 178.190 178.385 -0.195 18182 11054 1 18 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.828 -0.085 18182 11055 1 18 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.868 -0.553 18182 11056 1 18 . 1 1 24 24 GLN H H 682 7.182 7.182 7.537 -0.355 18182 11057 1 18 . 1 1 25 25 THR N N 683 117.007 117.007 116.542 0.465 18182 11058 1 18 . 1 1 25 25 THR HA H 683 3.681 3.681 3.896 -0.215 18182 11059 1 18 . 1 1 25 25 THR C C 683 175.786 175.786 176.237 -0.451 18182 11060 1 18 . 1 1 25 25 THR CA C 683 67.702 67.702 67.539 0.163 18182 11061 1 18 . 1 1 25 25 THR CB C 683 68.000 68.000 68.242 -0.242 18182 11062 1 18 . 1 1 25 25 THR H H 683 7.903 7.903 8.268 -0.365 18182 11063 1 18 . 1 1 26 26 ASP N N 684 122.824 122.824 120.142 2.682 18182 11064 1 18 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.348 -0.068 18182 11065 1 18 . 1 1 26 26 ASP C C 684 178.269 178.269 177.321 0.948 18182 11066 1 18 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.741 0.395 18182 11067 1 18 . 1 1 26 26 ASP CB C 684 40.178 40.178 41.205 -1.026 18182 11068 1 18 . 1 1 26 26 ASP H H 684 8.430 8.430 7.999 0.431 18182 11069 1 18 . 1 1 27 27 ASN N N 685 115.634 115.634 117.231 -1.597 18182 11070 1 18 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.619 -0.260 18182 11071 1 18 . 1 1 27 27 ASN C C 685 177.065 177.065 178.548 -1.483 18182 11072 1 18 . 1 1 27 27 ASN CA C 685 55.911 55.911 54.854 1.057 18182 11073 1 18 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.501 0.005 18182 11074 1 18 . 1 1 27 27 ASN H H 685 7.647 7.647 7.523 0.124 18182 11075 1 18 . 1 1 28 28 LEU N N 686 120.594 120.594 123.622 -3.028 18182 11076 1 18 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.080 0.149 18182 11077 1 18 . 1 1 28 28 LEU C C 686 179.502 179.502 177.871 1.631 18182 11078 1 18 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.090 -0.111 18182 11079 1 18 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.232 0.871 18182 11080 1 18 . 1 1 28 28 LEU H H 686 8.093 8.093 8.467 -0.374 18182 11081 1 18 . 1 1 29 29 LEU N N 687 115.149 115.149 115.597 -0.448 18182 11082 1 18 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.254 -0.172 18182 11083 1 18 . 1 1 29 29 LEU C C 687 178.910 178.910 178.532 0.378 18182 11084 1 18 . 1 1 29 29 LEU CA C 687 56.917 56.917 55.270 1.647 18182 11085 1 18 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.215 1.683 18182 11086 1 18 . 1 1 29 29 LEU H H 687 8.386 8.386 7.810 0.576 18182 11087 1 18 . 1 1 30 30 LYS N N 688 118.086 118.086 121.041 -2.955 18182 11088 1 18 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.050 -0.312 18182 11089 1 18 . 1 1 30 30 LYS C C 688 177.312 177.312 178.093 -0.781 18182 11090 1 18 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.513 0.996 18182 11091 1 18 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.539 -0.449 18182 11092 1 18 . 1 1 30 30 LYS H H 688 7.752 7.752 7.903 -0.151 18182 11093 1 18 . 1 1 31 31 SER N N 689 111.134 111.134 112.289 -1.155 18182 11094 1 18 . 1 1 31 31 SER HA H 689 4.460 4.460 4.386 0.074 18182 11095 1 18 . 1 1 31 31 SER C C 689 174.501 174.501 175.601 -1.100 18182 11096 1 18 . 1 1 31 31 SER CA C 689 58.559 58.559 59.131 -0.572 18182 11097 1 18 . 1 1 31 31 SER CB C 689 63.528 63.528 63.806 -0.278 18182 11098 1 18 . 1 1 31 31 SER H H 689 7.629 7.629 7.831 -0.202 18182 11099 1 18 . 1 1 32 32 HIS N N 690 120.218 120.218 122.179 -1.961 18182 11100 1 18 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.505 0.151 18182 11101 1 18 . 1 1 32 32 HIS C C 690 173.855 173.855 174.838 -0.983 18182 11102 1 18 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.916 -0.697 18182 11103 1 18 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.583 1.341 18182 11104 1 18 . 1 1 32 32 HIS H H 690 7.701 7.701 7.748 -0.047 18182 11105 1 18 . 1 1 33 33 ALA N N 691 120.317 120.317 122.983 -2.666 18182 11106 1 18 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.432 -0.101 18182 11107 1 18 . 1 1 33 33 ALA C C 691 179.494 179.494 177.684 1.810 18182 11108 1 18 . 1 1 33 33 ALA CA C 691 51.850 51.850 52.006 -0.156 18182 11109 1 18 . 1 1 33 33 ALA CB C 691 20.045 20.045 19.866 0.179 18182 11110 1 18 . 1 1 33 33 ALA H H 691 8.453 8.453 8.611 -0.158 18182 11111 1 18 . 1 1 34 34 SER N N 692 117.274 117.274 114.711 2.563 18182 11112 1 18 . 1 1 34 34 SER HA H 692 4.089 4.089 4.598 -0.509 18182 11113 1 18 . 1 1 34 34 SER C C 692 175.336 175.336 174.311 1.025 18182 11114 1 18 . 1 1 34 34 SER CA C 692 60.531 60.531 59.433 1.098 18182 11115 1 18 . 1 1 34 34 SER CB C 692 63.308 63.308 63.186 0.122 18182 11116 1 18 . 1 1 34 34 SER H H 692 8.997 8.997 8.645 0.352 18182 11117 1 18 . 1 1 35 35 GLY N N 693 113.573 113.573 109.268 4.305 18182 11118 1 18 . 1 1 35 35 GLY C C 693 174.808 174.808 173.274 1.534 18182 11119 1 18 . 1 1 35 35 GLY CA C 693 44.859 44.859 44.844 0.015 18182 11120 1 18 . 1 1 35 35 GLY H H 693 9.926 9.926 8.405 1.521 18182 11121 1 18 . 1 1 36 36 THR N N 694 121.076 121.076 119.578 1.498 18182 11122 1 18 . 1 1 36 36 THR HA H 694 5.962 5.962 5.805 0.157 18182 11123 1 18 . 1 1 36 36 THR C C 694 173.297 173.297 173.594 -0.297 18182 11124 1 18 . 1 1 36 36 THR CA C 694 63.612 63.612 61.225 2.387 18182 11125 1 18 . 1 1 36 36 THR CB C 694 68.317 68.317 69.994 -1.677 18182 11126 1 18 . 1 1 36 36 THR H H 694 8.291 8.291 7.619 0.672 18182 11127 1 18 . 1 1 37 37 TYR N N 695 123.616 123.616 124.187 -0.571 18182 11128 1 18 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.640 0.401 18182 11129 1 18 . 1 1 37 37 TYR C C 695 171.831 171.831 173.346 -1.515 18182 11130 1 18 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.887 0.418 18182 11131 1 18 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.731 2.628 18182 11132 1 18 . 1 1 37 37 TYR H H 695 8.805 8.805 9.049 -0.244 18182 11133 1 18 . 1 1 38 38 LEU N N 696 115.449 115.449 114.357 1.092 18182 11134 1 18 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.036 0.123 18182 11135 1 18 . 1 1 38 38 LEU C C 696 174.331 174.331 174.544 -0.213 18182 11136 1 18 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.876 -1.019 18182 11137 1 18 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.012 0.881 18182 11138 1 18 . 1 1 38 38 LEU H H 696 9.105 9.105 8.592 0.512 18182 11139 1 18 . 1 1 39 39 ILE N N 697 121.911 121.911 119.745 2.166 18182 11140 1 18 . 1 1 39 39 ILE HA H 697 5.419 5.419 5.097 0.322 18182 11141 1 18 . 1 1 39 39 ILE C C 697 173.476 173.476 175.289 -1.813 18182 11142 1 18 . 1 1 39 39 ILE CA C 697 59.925 59.925 59.812 0.113 18182 11143 1 18 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.757 -1.828 18182 11144 1 18 . 1 1 39 39 ILE H H 697 9.313 9.313 8.390 0.923 18182 11145 1 18 . 1 1 40 40 ARG N N 698 122.878 122.878 124.818 -1.940 18182 11146 1 18 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.696 0.596 18182 11147 1 18 . 1 1 40 40 ARG C C 698 174.308 174.308 174.880 -0.572 18182 11148 1 18 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.683 -1.939 18182 11149 1 18 . 1 1 40 40 ARG CB C 698 33.517 33.517 32.910 0.607 18182 11150 1 18 . 1 1 40 40 ARG H H 698 9.185 9.185 9.183 0.002 18182 11151 1 18 . 1 1 41 41 GLU N N 699 122.405 122.405 120.095 2.310 18182 11152 1 18 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.449 0.448 18182 11153 1 18 . 1 1 41 41 GLU C C 699 176.242 176.242 174.780 1.462 18182 11154 1 18 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.488 0.038 18182 11155 1 18 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.393 -0.260 18182 11156 1 18 . 1 1 41 41 GLU H H 699 8.634 8.634 8.030 0.604 18182 11157 1 18 . 1 1 42 42 ARG N N 700 125.045 125.045 126.028 -0.983 18182 11158 1 18 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.823 -0.129 18182 11159 1 18 . 1 1 42 42 ARG CB C 700 31.573 31.573 32.060 -0.487 18182 11160 1 18 . 1 1 42 42 ARG H H 700 8.639 8.639 8.484 0.155 18182 11161 1 18 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.566 -0.152 18182 11162 1 18 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.012 0.399 18182 11163 1 18 . 1 1 43 43 PRO CB C 701 30.498 30.498 30.389 0.109 18182 11164 1 18 . 1 1 44 44 ALA N N 702 122.925 122.925 125.179 -2.254 18182 11165 1 18 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.506 -0.184 18182 11166 1 18 . 1 1 44 44 ALA C C 702 176.610 176.610 176.729 -0.119 18182 11167 1 18 . 1 1 44 44 ALA CA C 702 51.802 51.802 50.920 0.882 18182 11168 1 18 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.128 -0.737 18182 11169 1 18 . 1 1 44 44 ALA H H 702 7.888 7.888 7.636 0.252 18182 11170 1 18 . 1 1 45 45 GLU N N 703 118.799 118.799 119.813 -1.014 18182 11171 1 18 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.137 0.100 18182 11172 1 18 . 1 1 45 45 GLU C C 703 176.717 176.717 179.065 -2.348 18182 11173 1 18 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.626 -1.725 18182 11174 1 18 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.720 0.367 18182 11175 1 18 . 1 1 45 45 GLU H H 703 7.947 7.947 8.738 -0.791 18182 11176 1 18 . 1 1 46 46 ALA N N 704 120.631 120.631 121.516 -0.885 18182 11177 1 18 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.162 0.253 18182 11178 1 18 . 1 1 46 46 ALA C C 704 178.411 178.411 177.688 0.723 18182 11179 1 18 . 1 1 46 46 ALA CA C 704 54.208 54.208 54.088 0.120 18182 11180 1 18 . 1 1 46 46 ALA CB C 704 19.243 19.243 18.897 0.346 18182 11181 1 18 . 1 1 46 46 ALA H H 704 8.643 8.643 8.148 0.495 18182 11182 1 18 . 1 1 47 47 GLU N N 705 119.341 119.341 117.834 1.507 18182 11183 1 18 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.865 -0.009 18182 11184 1 18 . 1 1 47 47 GLU C C 705 176.013 176.013 176.431 -0.418 18182 11185 1 18 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.669 -0.811 18182 11186 1 18 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.223 -3.389 18182 11187 1 18 . 1 1 47 47 GLU H H 705 7.635 7.635 8.392 -0.757 18182 11188 1 18 . 1 1 48 48 ARG N N 706 120.355 120.355 125.004 -4.649 18182 11189 1 18 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.282 -0.317 18182 11190 1 18 . 1 1 48 48 ARG C C 706 175.117 175.117 175.533 -0.416 18182 11191 1 18 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.789 1.366 18182 11192 1 18 . 1 1 48 48 ARG CB C 706 31.691 31.691 31.814 -0.123 18182 11193 1 18 . 1 1 48 48 ARG H H 706 7.971 7.971 7.982 -0.011 18182 11194 1 18 . 1 1 49 49 PHE N N 707 112.251 112.251 114.098 -1.847 18182 11195 1 18 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.903 1.002 18182 11196 1 18 . 1 1 49 49 PHE C C 707 173.875 173.875 173.623 0.252 18182 11197 1 18 . 1 1 49 49 PHE CA C 707 54.809 54.809 57.002 -2.193 18182 11198 1 18 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.806 -0.731 18182 11199 1 18 . 1 1 49 49 PHE H H 707 7.857 7.857 7.486 0.371 18182 11200 1 18 . 1 1 50 50 ALA N N 708 118.730 118.730 121.762 -3.032 18182 11201 1 18 . 1 1 50 50 ALA HA H 708 5.454 5.454 4.906 0.548 18182 11202 1 18 . 1 1 50 50 ALA C C 708 176.479 176.479 175.318 1.161 18182 11203 1 18 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.018 -0.176 18182 11204 1 18 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.592 0.126 18182 11205 1 18 . 1 1 50 50 ALA H H 708 9.205 9.205 8.816 0.389 18182 11206 1 18 . 1 1 51 51 ILE N N 709 120.037 120.037 124.564 -4.527 18182 11207 1 18 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.649 0.097 18182 11208 1 18 . 1 1 51 51 ILE C C 709 175.120 175.120 175.533 -0.413 18182 11209 1 18 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.989 -0.266 18182 11210 1 18 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.001 0.299 18182 11211 1 18 . 1 1 51 51 ILE H H 709 9.262 9.262 8.824 0.438 18182 11212 1 18 . 1 1 52 52 SER N N 710 125.087 125.087 121.246 3.841 18182 11213 1 18 . 1 1 52 52 SER HA H 710 5.468 5.468 5.072 0.396 18182 11214 1 18 . 1 1 52 52 SER C C 710 172.060 172.060 172.398 -0.338 18182 11215 1 18 . 1 1 52 52 SER CA C 710 57.761 57.761 57.079 0.682 18182 11216 1 18 . 1 1 52 52 SER CB C 710 65.210 65.210 64.793 0.417 18182 11217 1 18 . 1 1 52 52 SER H H 710 9.205 9.205 8.782 0.423 18182 11218 1 18 . 1 1 53 53 ILE N N 711 121.753 121.753 125.478 -3.725 18182 11219 1 18 . 1 1 53 53 ILE HA H 711 5.195 5.195 4.916 0.279 18182 11220 1 18 . 1 1 53 53 ILE C C 711 173.070 173.070 173.106 -0.036 18182 11221 1 18 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.288 -1.533 18182 11222 1 18 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.054 0.303 18182 11223 1 18 . 1 1 53 53 ILE H H 711 8.989 8.989 8.425 0.564 18182 11224 1 18 . 1 1 54 54 LYS N N 712 128.758 128.758 128.310 0.448 18182 11225 1 18 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.002 -0.215 18182 11226 1 18 . 1 1 54 54 LYS C C 712 174.899 174.899 174.913 -0.014 18182 11227 1 18 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.543 -1.176 18182 11228 1 18 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.043 -0.685 18182 11229 1 18 . 1 1 54 54 LYS H H 712 8.894 8.894 8.281 0.613 18182 11230 1 18 . 1 1 55 55 PHE N N 713 130.369 130.369 125.125 5.244 18182 11231 1 18 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.802 0.145 18182 11232 1 18 . 1 1 55 55 PHE C C 713 174.238 174.238 173.962 0.276 18182 11233 1 18 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.492 0.673 18182 11234 1 18 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.780 -0.976 18182 11235 1 18 . 1 1 55 55 PHE H H 713 9.464 9.464 8.966 0.498 18182 11236 1 18 . 1 1 56 56 ASN N N 714 125.719 125.719 124.796 0.923 18182 11237 1 18 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.040 -0.099 18182 11238 1 18 . 1 1 56 56 ASN C C 714 174.003 174.003 174.653 -0.650 18182 11239 1 18 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.625 1.605 18182 11240 1 18 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.236 -1.096 18182 11241 1 18 . 1 1 56 56 ASN H H 714 8.411 8.411 8.724 -0.313 18182 11242 1 18 . 1 1 57 57 ASP N N 715 117.904 117.904 112.314 5.590 18182 11243 1 18 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.202 0.419 18182 11244 1 18 . 1 1 57 57 ASP C C 715 174.858 174.858 174.625 0.233 18182 11245 1 18 . 1 1 57 57 ASP CA C 715 55.182 55.182 56.144 -0.962 18182 11246 1 18 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.279 0.607 18182 11247 1 18 . 1 1 57 57 ASP H H 715 8.542 8.542 8.212 0.330 18182 11248 1 18 . 1 1 58 58 GLU N N 716 118.707 118.707 116.203 2.504 18182 11249 1 18 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.605 0.105 18182 11250 1 18 . 1 1 58 58 GLU C C 716 173.755 173.755 174.805 -1.050 18182 11251 1 18 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.175 -0.128 18182 11252 1 18 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.543 0.743 18182 11253 1 18 . 1 1 58 58 GLU H H 716 7.889 7.889 7.631 0.258 18182 11254 1 18 . 1 1 59 59 VAL N N 717 120.720 120.720 123.763 -3.043 18182 11255 1 18 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.129 0.301 18182 11256 1 18 . 1 1 59 59 VAL C C 717 175.071 175.071 175.793 -0.722 18182 11257 1 18 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.365 -0.226 18182 11258 1 18 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.727 0.344 18182 11259 1 18 . 1 1 59 59 VAL H H 717 8.536 8.536 8.661 -0.125 18182 11260 1 18 . 1 1 60 60 LYS N N 718 126.403 126.403 128.096 -1.693 18182 11261 1 18 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.709 -0.154 18182 11262 1 18 . 1 1 60 60 LYS C C 718 174.578 174.578 174.647 -0.069 18182 11263 1 18 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.130 -1.013 18182 11264 1 18 . 1 1 60 60 LYS CB C 718 34.906 34.906 35.346 -0.440 18182 11265 1 18 . 1 1 60 60 LYS H H 718 8.879 8.879 8.537 0.342 18182 11266 1 18 . 1 1 61 61 HIS N N 719 118.939 118.939 119.277 -0.338 18182 11267 1 18 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.250 0.260 18182 11268 1 18 . 1 1 61 61 HIS C C 719 174.482 174.482 174.790 -0.308 18182 11269 1 18 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.258 0.160 18182 11270 1 18 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.929 2.320 18182 11271 1 18 . 1 1 61 61 HIS H H 719 8.846 8.846 8.505 0.341 18182 11272 1 18 . 1 1 62 62 ILE N N 720 124.690 124.690 125.409 -0.719 18182 11273 1 18 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.235 0.273 18182 11274 1 18 . 1 1 62 62 ILE C C 720 176.221 176.221 174.651 1.570 18182 11275 1 18 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.330 -0.047 18182 11276 1 18 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.580 3.442 18182 11277 1 18 . 1 1 62 62 ILE H H 720 9.704 9.704 9.109 0.595 18182 11278 1 18 . 1 1 63 63 LYS N N 721 126.432 126.432 127.883 -1.451 18182 11279 1 18 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.283 -0.148 18182 11280 1 18 . 1 1 63 63 LYS C C 721 174.783 174.783 175.702 -0.919 18182 11281 1 18 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.623 1.855 18182 11282 1 18 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.851 1.002 18182 11283 1 18 . 1 1 63 63 LYS H H 721 9.100 9.100 8.614 0.486 18182 11284 1 18 . 1 1 64 64 VAL N N 722 123.306 123.306 120.854 2.452 18182 11285 1 18 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.315 -0.057 18182 11286 1 18 . 1 1 64 64 VAL C C 722 174.284 174.284 174.663 -0.379 18182 11287 1 18 . 1 1 64 64 VAL CA C 722 61.293 61.293 60.740 0.553 18182 11288 1 18 . 1 1 64 64 VAL CB C 722 32.546 32.546 34.090 -1.544 18182 11289 1 18 . 1 1 64 64 VAL H H 722 8.441 8.441 8.036 0.405 18182 11290 1 18 . 1 1 65 65 VAL N N 723 126.508 126.508 123.625 2.883 18182 11291 1 18 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.754 -0.472 18182 11292 1 18 . 1 1 65 65 VAL C C 723 174.127 174.127 174.124 0.003 18182 11293 1 18 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.711 0.889 18182 11294 1 18 . 1 1 65 65 VAL CB C 723 33.717 33.717 35.067 -1.350 18182 11295 1 18 . 1 1 65 65 VAL H H 723 8.462 8.462 8.569 -0.107 18182 11296 1 18 . 1 1 66 66 GLU N N 724 126.016 126.016 128.318 -2.302 18182 11297 1 18 . 1 1 66 66 GLU HA H 724 5.226 5.226 5.070 0.156 18182 11298 1 18 . 1 1 66 66 GLU C C 724 175.409 175.409 174.891 0.518 18182 11299 1 18 . 1 1 66 66 GLU CA C 724 54.751 54.751 54.860 -0.109 18182 11300 1 18 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.819 0.638 18182 11301 1 18 . 1 1 66 66 GLU H H 724 8.619 8.619 8.710 -0.091 18182 11302 1 18 . 1 1 67 67 LYS N N 725 125.813 125.813 124.779 1.034 18182 11303 1 18 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.607 -0.110 18182 11304 1 18 . 1 1 67 67 LYS C C 725 175.635 175.635 175.819 -0.184 18182 11305 1 18 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.356 1.067 18182 11306 1 18 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.222 0.076 18182 11307 1 18 . 1 1 67 67 LYS H H 725 8.740 8.740 8.274 0.466 18182 11308 1 18 . 1 1 68 68 ASP N N 726 126.958 126.958 122.292 4.666 18182 11309 1 18 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.323 -0.092 18182 11310 1 18 . 1 1 68 68 ASP C C 726 174.341 174.341 175.140 -0.799 18182 11311 1 18 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.631 0.622 18182 11312 1 18 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.701 -0.202 18182 11313 1 18 . 1 1 68 68 ASP H H 726 9.499 9.499 8.880 0.619 18182 11314 1 18 . 1 1 69 69 ASN N N 727 110.214 110.214 113.169 -2.955 18182 11315 1 18 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.108 0.157 18182 11316 1 18 . 1 1 69 69 ASN C C 727 173.779 173.779 173.157 0.622 18182 11317 1 18 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.657 0.032 18182 11318 1 18 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.502 -0.014 18182 11319 1 18 . 1 1 69 69 ASN H H 727 8.348 8.348 8.560 -0.212 18182 11320 1 18 . 1 1 70 70 TRP N N 728 119.007 119.007 116.900 2.107 18182 11321 1 18 . 1 1 70 70 TRP HA H 728 5.390 5.390 4.997 0.393 18182 11322 1 18 . 1 1 70 70 TRP C C 728 174.779 174.779 174.967 -0.188 18182 11323 1 18 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.723 1.103 18182 11324 1 18 . 1 1 70 70 TRP CB C 728 33.555 33.555 31.844 1.711 18182 11325 1 18 . 1 1 70 70 TRP H H 728 8.063 8.063 7.536 0.527 18182 11326 1 18 . 1 1 71 71 ILE N N 729 122.016 122.016 122.042 -0.026 18182 11327 1 18 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.698 0.902 18182 11328 1 18 . 1 1 71 71 ILE C C 729 175.184 175.184 174.281 0.903 18182 11329 1 18 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.975 -1.121 18182 11330 1 18 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.274 1.322 18182 11331 1 18 . 1 1 71 71 ILE H H 729 9.378 9.378 8.996 0.382 18182 11332 1 18 . 1 1 72 72 HIS N N 730 121.306 121.306 122.314 -1.008 18182 11333 1 18 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.335 -0.117 18182 11334 1 18 . 1 1 72 72 HIS C C 730 173.714 173.714 174.166 -0.452 18182 11335 1 18 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.988 0.654 18182 11336 1 18 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.341 1.164 18182 11337 1 18 . 1 1 72 72 HIS H H 730 9.048 9.048 8.545 0.503 18182 11338 1 18 . 1 1 73 73 ILE N N 731 112.643 112.643 116.593 -3.950 18182 11339 1 18 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.730 0.207 18182 11340 1 18 . 1 1 73 73 ILE C C 731 175.442 175.442 176.084 -0.642 18182 11341 1 18 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.102 0.576 18182 11342 1 18 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.249 0.156 18182 11343 1 18 . 1 1 73 73 ILE H H 731 9.499 9.499 9.061 0.438 18182 11344 1 18 . 1 1 74 74 THR N N 732 115.752 115.752 113.076 2.676 18182 11345 1 18 . 1 1 74 74 THR HA H 732 4.812 4.812 4.588 0.224 18182 11346 1 18 . 1 1 74 74 THR C C 732 173.575 173.575 174.457 -0.882 18182 11347 1 18 . 1 1 74 74 THR CA C 732 58.650 58.650 60.413 -1.763 18182 11348 1 18 . 1 1 74 74 THR CB C 732 70.177 70.177 71.022 -0.844 18182 11349 1 18 . 1 1 74 74 THR H H 732 8.364 8.364 7.737 0.627 18182 11350 1 18 . 1 1 75 75 GLU N N 733 124.910 124.910 119.096 5.814 18182 11351 1 18 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.371 -1.398 18182 11352 1 18 . 1 1 75 75 GLU C C 733 175.609 175.609 175.463 0.146 18182 11353 1 18 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.547 2.115 18182 11354 1 18 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.503 -0.540 18182 11355 1 18 . 1 1 75 75 GLU H H 733 8.754 8.754 8.721 0.033 18182 11356 1 18 . 1 1 76 76 ALA N N 734 117.847 117.847 119.971 -2.124 18182 11357 1 18 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.295 -0.355 18182 11358 1 18 . 1 1 76 76 ALA C C 734 177.033 177.033 176.334 0.699 18182 11359 1 18 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.792 0.382 18182 11360 1 18 . 1 1 76 76 ALA CB C 734 19.493 19.493 19.912 -0.419 18182 11361 1 18 . 1 1 76 76 ALA H H 734 7.538 7.538 7.362 0.176 18182 11362 1 18 . 1 1 77 77 LYS N N 735 119.518 119.518 119.625 -0.107 18182 11363 1 18 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.144 -0.033 18182 11364 1 18 . 1 1 77 77 LYS C C 735 171.953 171.953 173.921 -1.968 18182 11365 1 18 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.538 -0.839 18182 11366 1 18 . 1 1 77 77 LYS CB C 735 33.285 33.285 34.760 -1.475 18182 11367 1 18 . 1 1 77 77 LYS H H 735 7.326 7.326 7.746 -0.420 18182 11368 1 18 . 1 1 78 78 LYS N N 736 123.200 123.200 125.161 -1.961 18182 11369 1 18 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.445 0.286 18182 11370 1 18 . 1 1 78 78 LYS C C 736 175.123 175.123 175.208 -0.085 18182 11371 1 18 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.659 0.451 18182 11372 1 18 . 1 1 78 78 LYS CB C 736 34.970 34.970 33.802 1.168 18182 11373 1 18 . 1 1 78 78 LYS H H 736 7.893 7.893 7.759 0.134 18182 11374 1 18 . 1 1 79 79 PHE N N 737 117.916 117.916 121.691 -3.775 18182 11375 1 18 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.616 0.378 18182 11376 1 18 . 1 1 79 79 PHE C C 737 175.595 175.595 175.655 -0.060 18182 11377 1 18 . 1 1 79 79 PHE CA C 737 56.941 56.941 57.241 -0.300 18182 11378 1 18 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.036 1.377 18182 11379 1 18 . 1 1 79 79 PHE H H 737 9.121 9.121 9.058 0.063 18182 11380 1 18 . 1 1 80 80 ASP N N 738 119.341 119.341 120.632 -1.291 18182 11381 1 18 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.046 -0.297 18182 11382 1 18 . 1 1 80 80 ASP C C 738 176.035 176.035 175.970 0.065 18182 11383 1 18 . 1 1 80 80 ASP CA C 738 55.712 55.712 56.298 -0.586 18182 11384 1 18 . 1 1 80 80 ASP CB C 738 41.709 41.709 42.376 -0.666 18182 11385 1 18 . 1 1 80 80 ASP H H 738 9.377 9.377 9.130 0.247 18182 11386 1 18 . 1 1 81 81 SER N N 739 108.518 108.518 108.534 -0.016 18182 11387 1 18 . 1 1 81 81 SER HA H 739 4.694 4.694 4.684 0.010 18182 11388 1 18 . 1 1 81 81 SER C C 739 173.791 173.791 173.687 0.104 18182 11389 1 18 . 1 1 81 81 SER CA C 739 57.049 57.049 57.537 -0.488 18182 11390 1 18 . 1 1 81 81 SER CB C 739 66.839 66.839 64.625 2.214 18182 11391 1 18 . 1 1 81 81 SER H H 739 7.447 7.447 7.530 -0.083 18182 11392 1 18 . 1 1 82 82 LEU N N 740 122.626 122.626 122.390 0.236 18182 11393 1 18 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.039 -0.228 18182 11394 1 18 . 1 1 82 82 LEU C C 740 177.172 177.172 177.598 -0.426 18182 11395 1 18 . 1 1 82 82 LEU CA C 740 57.469 57.469 57.661 -0.192 18182 11396 1 18 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.444 -0.625 18182 11397 1 18 . 1 1 82 82 LEU H H 740 8.969 8.969 8.743 0.226 18182 11398 1 18 . 1 1 83 83 LEU N N 741 116.575 116.575 119.719 -3.144 18182 11399 1 18 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.894 -0.057 18182 11400 1 18 . 1 1 83 83 LEU C C 741 177.492 177.492 178.287 -0.795 18182 11401 1 18 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.390 -0.126 18182 11402 1 18 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.658 0.271 18182 11403 1 18 . 1 1 83 83 LEU H H 741 7.770 7.770 7.647 0.123 18182 11404 1 18 . 1 1 84 84 GLU N N 742 116.865 116.865 118.920 -2.055 18182 11405 1 18 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.979 -0.061 18182 11406 1 18 . 1 1 84 84 GLU C C 742 178.252 178.252 179.127 -0.875 18182 11407 1 18 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.631 -0.240 18182 11408 1 18 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.556 0.903 18182 11409 1 18 . 1 1 84 84 GLU H H 742 7.585 7.585 7.750 -0.165 18182 11410 1 18 . 1 1 85 85 LEU N N 743 122.164 122.164 120.653 1.511 18182 11411 1 18 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.813 -0.785 18182 11412 1 18 . 1 1 85 85 LEU C C 743 177.335 177.335 178.556 -1.221 18182 11413 1 18 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.336 1.435 18182 11414 1 18 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.759 0.068 18182 11415 1 18 . 1 1 85 85 LEU H H 743 7.109 7.109 7.266 -0.157 18182 11416 1 18 . 1 1 86 86 VAL N N 744 119.760 119.760 119.086 0.674 18182 11417 1 18 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.215 -0.362 18182 11418 1 18 . 1 1 86 86 VAL C C 744 177.675 177.675 177.980 -0.305 18182 11419 1 18 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.836 0.277 18182 11420 1 18 . 1 1 86 86 VAL CB C 744 31.111 31.111 31.184 -0.073 18182 11421 1 18 . 1 1 86 86 VAL H H 744 8.113 8.113 8.328 -0.215 18182 11422 1 18 . 1 1 87 87 GLU N N 745 116.227 116.227 119.147 -2.920 18182 11423 1 18 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.875 -0.113 18182 11424 1 18 . 1 1 87 87 GLU C C 745 179.530 179.530 179.043 0.487 18182 11425 1 18 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.518 -0.080 18182 11426 1 18 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.415 -0.263 18182 11427 1 18 . 1 1 87 87 GLU H H 745 8.182 8.182 8.347 -0.165 18182 11428 1 18 . 1 1 88 88 TYR N N 746 120.102 120.102 120.070 0.032 18182 11429 1 18 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.049 0.098 18182 11430 1 18 . 1 1 88 88 TYR C C 746 179.970 179.970 178.273 1.697 18182 11431 1 18 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.003 0.727 18182 11432 1 18 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.413 0.475 18182 11433 1 18 . 1 1 88 88 TYR H H 746 7.795 7.795 7.843 -0.048 18182 11434 1 18 . 1 1 89 89 TYR N N 747 118.508 118.508 117.992 0.516 18182 11435 1 18 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.819 0.282 18182 11436 1 18 . 1 1 89 89 TYR C C 747 175.885 175.885 178.443 -2.558 18182 11437 1 18 . 1 1 89 89 TYR CA C 747 61.177 61.177 59.218 1.959 18182 11438 1 18 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.631 -0.588 18182 11439 1 18 . 1 1 89 89 TYR H H 747 7.798 7.798 7.814 -0.016 18182 11440 1 18 . 1 1 90 90 GLN N N 748 118.741 118.741 119.389 -0.648 18182 11441 1 18 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.815 0.605 18182 11442 1 18 . 1 1 90 90 GLN C C 748 177.767 177.767 177.002 0.765 18182 11443 1 18 . 1 1 90 90 GLN CA C 748 57.871 57.871 59.516 -1.645 18182 11444 1 18 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.288 0.386 18182 11445 1 18 . 1 1 90 90 GLN H H 748 7.925 7.925 8.175 -0.250 18182 11446 1 18 . 1 1 91 91 CYS N N 749 111.312 111.312 113.704 -2.392 18182 11447 1 18 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.258 0.383 18182 11448 1 18 . 1 1 91 91 CYS C C 749 173.010 173.010 174.668 -1.658 18182 11449 1 18 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.441 -1.906 18182 11450 1 18 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.101 0.078 18182 11451 1 18 . 1 1 91 91 CYS H H 749 7.178 7.178 7.283 -0.105 18182 11452 1 18 . 1 1 92 92 HIS N N 750 120.386 120.386 119.483 0.903 18182 11453 1 18 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.630 -0.262 18182 11454 1 18 . 1 1 92 92 HIS C C 750 171.815 171.815 174.501 -2.686 18182 11455 1 18 . 1 1 92 92 HIS CA C 750 55.168 55.168 54.912 0.256 18182 11456 1 18 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.497 -1.191 18182 11457 1 18 . 1 1 92 92 HIS H H 750 7.540 7.540 7.841 -0.301 18182 11458 1 18 . 1 1 93 93 SER N N 751 113.259 113.259 116.843 -3.584 18182 11459 1 18 . 1 1 93 93 SER HA H 751 3.812 3.812 4.270 -0.458 18182 11460 1 18 . 1 1 93 93 SER C C 751 176.644 176.644 175.551 1.093 18182 11461 1 18 . 1 1 93 93 SER CA C 751 58.040 58.040 58.351 -0.311 18182 11462 1 18 . 1 1 93 93 SER CB C 751 62.954 62.954 63.820 -0.866 18182 11463 1 18 . 1 1 93 93 SER H H 751 8.397 8.397 8.859 -0.462 18182 11464 1 18 . 1 1 94 94 LEU N N 752 127.166 127.166 122.647 4.519 18182 11465 1 18 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.421 -0.281 18182 11466 1 18 . 1 1 94 94 LEU C C 752 177.462 177.462 177.614 -0.152 18182 11467 1 18 . 1 1 94 94 LEU CA C 752 58.300 58.300 55.641 2.659 18182 11468 1 18 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.344 0.988 18182 11469 1 18 . 1 1 94 94 LEU H H 752 8.580 8.580 8.210 0.370 18182 11470 1 18 . 1 1 95 95 LYS N N 753 122.119 122.119 118.852 3.267 18182 11471 1 18 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.517 -0.077 18182 11472 1 18 . 1 1 95 95 LYS C C 753 176.253 176.253 178.628 -2.375 18182 11473 1 18 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.624 -1.395 18182 11474 1 18 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.806 0.538 18182 11475 1 18 . 1 1 95 95 LYS H H 753 8.322 8.322 8.254 0.068 18182 11476 1 18 . 1 1 96 96 GLU N N 754 115.310 115.310 119.026 -3.716 18182 11477 1 18 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.079 0.058 18182 11478 1 18 . 1 1 96 96 GLU C C 754 176.704 176.704 177.471 -0.767 18182 11479 1 18 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.804 -0.315 18182 11480 1 18 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.369 0.308 18182 11481 1 18 . 1 1 96 96 GLU H H 754 7.197 7.197 8.137 -0.940 18182 11482 1 18 . 1 1 97 97 SER N N 755 113.390 113.390 113.295 0.095 18182 11483 1 18 . 1 1 97 97 SER HA H 755 4.583 4.583 4.422 0.161 18182 11484 1 18 . 1 1 97 97 SER C C 755 171.185 171.185 174.694 -3.509 18182 11485 1 18 . 1 1 97 97 SER CA C 755 59.569 59.569 59.209 0.360 18182 11486 1 18 . 1 1 97 97 SER CB C 755 66.435 66.435 64.493 1.942 18182 11487 1 18 . 1 1 97 97 SER H H 755 7.857 7.857 7.594 0.263 18182 11488 1 18 . 1 1 98 98 PHE N N 756 121.328 121.328 121.115 0.213 18182 11489 1 18 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.742 0.023 18182 11490 1 18 . 1 1 98 98 PHE C C 756 175.774 175.774 175.693 0.081 18182 11491 1 18 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.566 0.304 18182 11492 1 18 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.665 1.046 18182 11493 1 18 . 1 1 98 98 PHE H H 756 8.409 8.409 8.394 0.015 18182 11494 1 18 . 1 1 99 99 LYS N N 757 121.656 121.656 124.757 -3.101 18182 11495 1 18 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.065 0.048 18182 11496 1 18 . 1 1 99 99 LYS C C 757 177.188 177.188 177.466 -0.278 18182 11497 1 18 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.341 0.395 18182 11498 1 18 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.350 0.006 18182 11499 1 18 . 1 1 99 99 LYS H H 757 8.602 8.602 8.679 -0.077 18182 11500 1 18 . 1 1 100 100 GLN N N 758 115.783 115.783 116.666 -0.883 18182 11501 1 18 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.247 0.136 18182 11502 1 18 . 1 1 100 100 GLN C C 758 175.849 175.849 176.337 -0.488 18182 11503 1 18 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.880 -2.047 18182 11504 1 18 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.010 -0.693 18182 11505 1 18 . 1 1 100 100 GLN H H 758 9.139 9.139 8.374 0.765 18182 11506 1 18 . 1 1 101 101 LEU N N 759 124.876 124.876 118.529 6.347 18182 11507 1 18 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.495 -0.803 18182 11508 1 18 . 1 1 101 101 LEU C C 759 173.219 173.219 175.593 -2.374 18182 11509 1 18 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.843 -2.395 18182 11510 1 18 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.593 -1.605 18182 11511 1 18 . 1 1 101 101 LEU H H 759 7.924 7.924 7.699 0.225 18182 11512 1 18 . 1 1 102 102 ASP N N 760 119.263 119.263 117.894 1.369 18182 11513 1 18 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.658 -0.091 18182 11514 1 18 . 1 1 102 102 ASP C C 760 173.570 173.570 174.059 -0.489 18182 11515 1 18 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.945 -2.070 18182 11516 1 18 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.850 -3.821 18182 11517 1 18 . 1 1 102 102 ASP H H 760 6.564 6.564 7.595 -1.031 18182 11518 1 18 . 1 1 103 103 THR N N 761 117.311 117.311 113.547 3.764 18182 11519 1 18 . 1 1 103 103 THR HA H 761 4.701 4.701 4.395 0.306 18182 11520 1 18 . 1 1 103 103 THR C C 761 172.169 172.169 173.265 -1.096 18182 11521 1 18 . 1 1 103 103 THR CA C 761 60.491 60.491 59.502 0.989 18182 11522 1 18 . 1 1 103 103 THR CB C 761 69.358 69.358 70.161 -0.803 18182 11523 1 18 . 1 1 103 103 THR H H 761 7.699 7.699 7.178 0.521 18182 11524 1 18 . 1 1 104 104 THR N N 762 114.211 114.211 115.306 -1.095 18182 11525 1 18 . 1 1 104 104 THR HA H 762 4.603 4.603 4.382 0.221 18182 11526 1 18 . 1 1 104 104 THR C C 762 175.647 175.647 174.492 1.155 18182 11527 1 18 . 1 1 104 104 THR CA C 762 60.899 60.899 59.619 1.280 18182 11528 1 18 . 1 1 104 104 THR CB C 762 70.981 70.981 70.567 0.414 18182 11529 1 18 . 1 1 104 104 THR H H 762 7.300 7.300 8.252 -0.952 18182 11530 1 18 . 1 1 105 105 LEU N N 763 117.640 117.640 121.529 -3.889 18182 11531 1 18 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.768 -0.245 18182 11532 1 18 . 1 1 105 105 LEU C C 763 174.500 174.500 176.460 -1.960 18182 11533 1 18 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.626 -0.471 18182 11534 1 18 . 1 1 105 105 LEU CB C 763 35.747 35.747 38.882 -3.135 18182 11535 1 18 . 1 1 105 105 LEU H H 763 8.113 8.113 8.009 0.104 18182 11536 1 18 . 1 1 106 106 LYS N N 764 127.345 127.345 122.385 4.960 18182 11537 1 18 . 1 1 106 106 LYS HA H 764 4.011 4.011 3.962 0.049 18182 11538 1 18 . 1 1 106 106 LYS C C 764 176.781 176.781 176.756 0.025 18182 11539 1 18 . 1 1 106 106 LYS CA C 764 59.888 59.888 58.332 1.556 18182 11540 1 18 . 1 1 106 106 LYS CB C 764 35.223 35.223 33.202 2.021 18182 11541 1 18 . 1 1 106 106 LYS H H 764 7.181 7.181 8.035 -0.854 18182 11542 1 18 . 1 1 107 107 TYR N N 765 115.756 115.756 116.412 -0.656 18182 11543 1 18 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.064 0.457 18182 11544 1 18 . 1 1 107 107 TYR C C 765 172.106 172.106 173.143 -1.037 18182 11545 1 18 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.222 -2.601 18182 11546 1 18 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.178 1.340 18182 11547 1 18 . 1 1 107 107 TYR H H 765 7.877 7.877 8.161 -0.284 18182 11548 1 18 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.236 -0.563 18182 11549 1 18 . 1 1 108 108 PRO C C 766 180.696 180.696 176.994 3.702 18182 11550 1 18 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.674 0.937 18182 11551 1 18 . 1 1 109 109 TYR N N 767 122.570 122.570 116.834 5.736 18182 11552 1 18 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.106 -0.289 18182 11553 1 18 . 1 1 109 109 TYR C C 767 174.769 174.769 176.559 -1.790 18182 11554 1 18 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.818 1.365 18182 11555 1 18 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.829 -0.362 18182 11556 1 18 . 1 1 109 109 TYR H H 767 8.341 8.341 8.092 0.249 18182 11557 1 18 . 1 1 110 110 LYS N N 768 118.398 118.398 117.868 0.530 18182 11558 1 18 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.731 0.211 18182 11559 1 18 . 1 1 110 110 LYS C C 768 176.453 176.453 177.800 -1.347 18182 11560 1 18 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.738 -0.837 18182 11561 1 18 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.091 0.490 18182 11562 1 18 . 1 1 110 110 LYS H H 768 6.790 6.790 7.102 -0.312 18182 11563 1 18 . 1 1 111 111 SER N N 769 114.260 114.260 112.512 1.748 18182 11564 1 18 . 1 1 111 111 SER HA H 769 4.384 4.384 4.084 0.300 18182 11565 1 18 . 1 1 111 111 SER C C 769 174.124 174.124 173.956 0.168 18182 11566 1 18 . 1 1 111 111 SER CA C 769 58.802 58.802 60.694 -1.892 18182 11567 1 18 . 1 1 111 111 SER CB C 769 64.206 64.206 62.720 1.486 18182 11568 1 18 . 1 1 111 111 SER H H 769 7.769 7.769 8.487 -0.718 18182 11569 1 18 . 1 1 112 112 ARG N N 770 122.485 122.485 121.850 0.635 18182 11570 1 18 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.605 -0.227 18182 11571 1 18 . 1 1 112 112 ARG C C 770 175.139 175.139 174.891 0.248 18182 11572 1 18 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.205 0.423 18182 11573 1 18 . 1 1 112 112 ARG CB C 770 30.935 30.935 31.829 -0.894 18182 11574 1 18 . 1 1 112 112 ARG H H 770 8.109 8.109 8.000 0.109 18182 11575 1 19 . 1 1 2 2 ARG N N 660 123.565 123.565 122.754 0.811 18182 11576 1 19 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.678 -0.048 18182 11577 1 19 . 1 1 2 2 ARG C C 660 173.529 173.529 173.809 -0.280 18182 11578 1 19 . 1 1 2 2 ARG CA C 660 53.869 53.869 54.063 -0.194 18182 11579 1 19 . 1 1 2 2 ARG CB C 660 30.428 30.428 30.215 0.213 18182 11580 1 19 . 1 1 2 2 ARG H H 660 8.295 8.295 7.993 0.302 18182 11581 1 19 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.499 0.173 18182 11582 1 19 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.644 -0.232 18182 11583 1 19 . 1 1 4 4 PRO C C 662 177.096 177.096 176.511 0.585 18182 11584 1 19 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.122 0.174 18182 11585 1 19 . 1 1 4 4 PRO CB C 662 32.022 32.022 33.074 -1.052 18182 11586 1 19 . 1 1 5 5 SER N N 663 116.025 116.025 117.235 -1.210 18182 11587 1 19 . 1 1 5 5 SER HA H 663 4.374 4.374 4.527 -0.153 18182 11588 1 19 . 1 1 5 5 SER C C 663 174.815 174.815 174.341 0.474 18182 11589 1 19 . 1 1 5 5 SER CA C 663 58.797 58.797 58.645 0.152 18182 11590 1 19 . 1 1 5 5 SER CB C 663 64.024 64.024 63.599 0.425 18182 11591 1 19 . 1 1 5 5 SER H H 663 8.406 8.406 8.455 -0.049 18182 11592 1 19 . 1 1 6 6 ARG N N 664 122.062 122.062 119.271 2.791 18182 11593 1 19 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.031 0.348 18182 11594 1 19 . 1 1 6 6 ARG C C 664 175.958 175.958 175.178 0.780 18182 11595 1 19 . 1 1 6 6 ARG CA C 664 56.136 56.136 57.289 -1.153 18182 11596 1 19 . 1 1 6 6 ARG CB C 664 30.712 30.712 29.511 1.201 18182 11597 1 19 . 1 1 6 6 ARG H H 664 8.371 8.371 8.021 0.350 18182 11598 1 19 . 1 1 7 7 GLU N N 665 122.160 122.160 116.581 5.579 18182 11599 1 19 . 1 1 7 7 GLU HA H 665 4.313 4.313 3.992 0.321 18182 11600 1 19 . 1 1 7 7 GLU C C 665 175.842 175.842 175.227 0.615 18182 11601 1 19 . 1 1 7 7 GLU CA C 665 56.410 56.410 57.180 -0.770 18182 11602 1 19 . 1 1 7 7 GLU CB C 665 29.972 29.972 28.162 1.810 18182 11603 1 19 . 1 1 7 7 GLU H H 665 8.352 8.352 8.573 -0.221 18182 11604 1 19 . 1 1 8 8 ILE N N 666 123.828 123.828 120.176 3.652 18182 11605 1 19 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.011 -0.171 18182 11606 1 19 . 1 1 8 8 ILE C C 666 174.373 174.373 175.492 -1.119 18182 11607 1 19 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.730 0.197 18182 11608 1 19 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.389 1.152 18182 11609 1 19 . 1 1 8 8 ILE H H 666 7.938 7.938 7.910 0.028 18182 11610 1 19 . 1 1 9 9 ASP N N 667 124.338 124.338 128.688 -4.350 18182 11611 1 19 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.470 0.149 18182 11612 1 19 . 1 1 9 9 ASP C C 667 177.006 177.006 176.584 0.422 18182 11613 1 19 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.618 -1.566 18182 11614 1 19 . 1 1 9 9 ASP CB C 667 40.364 40.364 39.501 0.863 18182 11615 1 19 . 1 1 9 9 ASP H H 667 8.111 8.111 8.652 -0.541 18182 11616 1 19 . 1 1 10 10 TYR N N 668 125.199 125.199 121.514 3.685 18182 11617 1 19 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.051 0.137 18182 11618 1 19 . 1 1 10 10 TYR C C 668 175.947 175.947 177.139 -1.192 18182 11619 1 19 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.719 -0.036 18182 11620 1 19 . 1 1 10 10 TYR CB C 668 36.236 36.236 36.940 -0.704 18182 11621 1 19 . 1 1 10 10 TYR H H 668 8.495 8.495 7.343 1.152 18182 11622 1 19 . 1 1 11 11 THR N N 669 108.617 108.617 111.340 -2.723 18182 11623 1 19 . 1 1 11 11 THR HA H 669 4.148 4.148 4.097 0.051 18182 11624 1 19 . 1 1 11 11 THR C C 669 175.184 175.184 175.489 -0.305 18182 11625 1 19 . 1 1 11 11 THR CA C 669 65.022 65.022 64.787 0.235 18182 11626 1 19 . 1 1 11 11 THR CB C 669 69.280 69.280 67.835 1.445 18182 11627 1 19 . 1 1 11 11 THR H H 669 8.011 8.011 7.809 0.202 18182 11628 1 19 . 1 1 12 12 ALA N N 670 121.275 121.275 122.395 -1.120 18182 11629 1 19 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.966 0.110 18182 11630 1 19 . 1 1 12 12 ALA C C 670 177.815 177.815 177.728 0.087 18182 11631 1 19 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.233 -0.677 18182 11632 1 19 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.514 0.360 18182 11633 1 19 . 1 1 12 12 ALA H H 670 7.411 7.411 7.137 0.274 18182 11634 1 19 . 1 1 13 13 TYR N N 671 117.883 117.883 117.017 0.866 18182 11635 1 19 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.639 -0.338 18182 11636 1 19 . 1 1 13 13 TYR C C 671 176.698 176.698 175.455 1.243 18182 11637 1 19 . 1 1 13 13 TYR CA C 671 56.986 56.986 54.803 2.183 18182 11638 1 19 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.390 -0.575 18182 11639 1 19 . 1 1 13 13 TYR H H 671 7.538 7.538 7.098 0.440 18182 11640 1 19 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.330 0.026 18182 11641 1 19 . 1 1 14 14 PRO C C 672 173.452 173.452 176.559 -3.107 18182 11642 1 19 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.067 0.257 18182 11643 1 19 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.096 -0.873 18182 11644 1 19 . 1 1 15 15 TRP N N 673 110.044 110.044 114.365 -4.321 18182 11645 1 19 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.602 0.190 18182 11646 1 19 . 1 1 15 15 TRP C C 673 175.577 175.577 175.013 0.564 18182 11647 1 19 . 1 1 15 15 TRP CA C 673 53.157 53.157 54.635 -1.478 18182 11648 1 19 . 1 1 15 15 TRP CB C 673 32.373 32.373 29.053 3.320 18182 11649 1 19 . 1 1 15 15 TRP H H 673 6.229 6.229 7.502 -1.273 18182 11650 1 19 . 1 1 16 16 PHE N N 674 123.205 123.205 121.700 1.505 18182 11651 1 19 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.746 0.425 18182 11652 1 19 . 1 1 16 16 PHE C C 674 174.832 174.832 173.809 1.023 18182 11653 1 19 . 1 1 16 16 PHE CA C 674 59.872 59.872 56.752 3.120 18182 11654 1 19 . 1 1 16 16 PHE CB C 674 40.208 40.208 40.565 -0.357 18182 11655 1 19 . 1 1 16 16 PHE H H 674 7.625 7.625 7.217 0.408 18182 11656 1 19 . 1 1 17 17 ALA N N 675 130.669 130.669 130.090 0.579 18182 11657 1 19 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.909 0.039 18182 11658 1 19 . 1 1 17 17 ALA C C 675 177.266 177.266 176.030 1.236 18182 11659 1 19 . 1 1 17 17 ALA CA C 675 51.268 51.268 49.951 1.317 18182 11660 1 19 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.042 0.386 18182 11661 1 19 . 1 1 17 17 ALA H H 675 9.097 9.097 7.535 1.562 18182 11662 1 19 . 1 1 18 18 GLY C C 676 174.230 174.230 174.276 -0.046 18182 11663 1 19 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.796 2.134 18182 11664 1 19 . 1 1 19 19 ASN N N 677 124.910 124.910 120.923 3.987 18182 11665 1 19 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.531 0.363 18182 11666 1 19 . 1 1 19 19 ASN C C 677 174.597 174.597 174.619 -0.022 18182 11667 1 19 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.126 -0.184 18182 11668 1 19 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.414 -0.455 18182 11669 1 19 . 1 1 19 19 ASN H H 677 8.682 8.682 8.432 0.250 18182 11670 1 19 . 1 1 20 20 MET N N 678 122.347 122.347 123.186 -0.839 18182 11671 1 19 . 1 1 20 20 MET HA H 678 4.115 4.115 4.403 -0.288 18182 11672 1 19 . 1 1 20 20 MET C C 678 175.451 175.451 175.725 -0.274 18182 11673 1 19 . 1 1 20 20 MET CA C 678 56.675 56.675 55.540 1.135 18182 11674 1 19 . 1 1 20 20 MET CB C 678 35.208 35.208 34.099 1.109 18182 11675 1 19 . 1 1 20 20 MET H H 678 7.006 7.006 7.698 -0.692 18182 11676 1 19 . 1 1 21 21 GLU N N 679 124.989 124.989 122.244 2.745 18182 11677 1 19 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.291 0.000 18182 11678 1 19 . 1 1 21 21 GLU C C 679 178.232 178.232 177.681 0.551 18182 11679 1 19 . 1 1 21 21 GLU CA C 679 56.127 56.127 56.660 -0.533 18182 11680 1 19 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.146 -0.214 18182 11681 1 19 . 1 1 21 21 GLU H H 679 8.761 8.761 8.607 0.154 18182 11682 1 19 . 1 1 22 22 ARG N N 680 125.521 125.521 122.360 3.161 18182 11683 1 19 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.022 -0.686 18182 11684 1 19 . 1 1 22 22 ARG C C 680 177.707 177.707 178.341 -0.634 18182 11685 1 19 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.048 0.996 18182 11686 1 19 . 1 1 22 22 ARG CB C 680 30.057 30.057 30.197 -0.140 18182 11687 1 19 . 1 1 22 22 ARG H H 680 9.406 9.406 8.796 0.610 18182 11688 1 19 . 1 1 23 23 GLN N N 681 117.320 117.320 117.776 -0.456 18182 11689 1 19 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.047 0.018 18182 11690 1 19 . 1 1 23 23 GLN C C 681 178.317 178.317 178.332 -0.015 18182 11691 1 19 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.810 0.940 18182 11692 1 19 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.343 0.441 18182 11693 1 19 . 1 1 23 23 GLN H H 681 9.048 9.048 8.733 0.315 18182 11694 1 19 . 1 1 24 24 GLN N N 682 117.909 117.909 119.659 -1.750 18182 11695 1 19 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.093 0.028 18182 11696 1 19 . 1 1 24 24 GLN C C 682 178.190 178.190 178.530 -0.340 18182 11697 1 19 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.268 -0.525 18182 11698 1 19 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.471 -0.156 18182 11699 1 19 . 1 1 24 24 GLN H H 682 7.182 7.182 8.331 -1.149 18182 11700 1 19 . 1 1 25 25 THR N N 683 117.007 117.007 116.774 0.233 18182 11701 1 19 . 1 1 25 25 THR HA H 683 3.681 3.681 3.935 -0.254 18182 11702 1 19 . 1 1 25 25 THR C C 683 175.786 175.786 176.613 -0.827 18182 11703 1 19 . 1 1 25 25 THR CA C 683 67.702 67.702 67.428 0.274 18182 11704 1 19 . 1 1 25 25 THR CB C 683 68.000 68.000 68.542 -0.542 18182 11705 1 19 . 1 1 25 25 THR H H 683 7.903 7.903 8.185 -0.282 18182 11706 1 19 . 1 1 26 26 ASP N N 684 122.824 122.824 120.993 1.831 18182 11707 1 19 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.471 -0.191 18182 11708 1 19 . 1 1 26 26 ASP C C 684 178.269 178.269 178.604 -0.335 18182 11709 1 19 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.475 0.661 18182 11710 1 19 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.935 -0.757 18182 11711 1 19 . 1 1 26 26 ASP H H 684 8.430 8.430 8.261 0.169 18182 11712 1 19 . 1 1 27 27 ASN N N 685 115.634 115.634 118.291 -2.657 18182 11713 1 19 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.593 -0.234 18182 11714 1 19 . 1 1 27 27 ASN C C 685 177.065 177.065 177.963 -0.898 18182 11715 1 19 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.388 0.523 18182 11716 1 19 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.679 -0.173 18182 11717 1 19 . 1 1 27 27 ASN H H 685 7.647 7.647 7.972 -0.325 18182 11718 1 19 . 1 1 28 28 LEU N N 686 120.594 120.594 123.017 -2.423 18182 11719 1 19 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.087 0.142 18182 11720 1 19 . 1 1 28 28 LEU C C 686 179.502 179.502 178.990 0.512 18182 11721 1 19 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.266 -0.286 18182 11722 1 19 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.351 0.752 18182 11723 1 19 . 1 1 28 28 LEU H H 686 8.093 8.093 8.448 -0.355 18182 11724 1 19 . 1 1 29 29 LEU N N 687 115.149 115.149 115.960 -0.811 18182 11725 1 19 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.298 -0.216 18182 11726 1 19 . 1 1 29 29 LEU C C 687 178.910 178.910 178.253 0.657 18182 11727 1 19 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.750 0.167 18182 11728 1 19 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.910 0.988 18182 11729 1 19 . 1 1 29 29 LEU H H 687 8.386 8.386 8.250 0.136 18182 11730 1 19 . 1 1 30 30 LYS N N 688 118.086 118.086 118.124 -0.038 18182 11731 1 19 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.051 -0.313 18182 11732 1 19 . 1 1 30 30 LYS C C 688 177.312 177.312 178.925 -1.613 18182 11733 1 19 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.052 1.457 18182 11734 1 19 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.808 -0.718 18182 11735 1 19 . 1 1 30 30 LYS H H 688 7.752 7.752 7.585 0.167 18182 11736 1 19 . 1 1 31 31 SER N N 689 111.134 111.134 113.753 -2.619 18182 11737 1 19 . 1 1 31 31 SER HA H 689 4.460 4.460 4.207 0.253 18182 11738 1 19 . 1 1 31 31 SER C C 689 174.501 174.501 175.253 -0.752 18182 11739 1 19 . 1 1 31 31 SER CA C 689 58.559 58.559 60.146 -1.587 18182 11740 1 19 . 1 1 31 31 SER CB C 689 63.528 63.528 63.136 0.392 18182 11741 1 19 . 1 1 31 31 SER H H 689 7.629 7.629 7.665 -0.036 18182 11742 1 19 . 1 1 32 32 HIS N N 690 120.218 120.218 121.544 -1.326 18182 11743 1 19 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.583 0.073 18182 11744 1 19 . 1 1 32 32 HIS C C 690 173.855 173.855 173.936 -0.081 18182 11745 1 19 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.859 -0.640 18182 11746 1 19 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.752 1.172 18182 11747 1 19 . 1 1 32 32 HIS H H 690 7.701 7.701 7.303 0.398 18182 11748 1 19 . 1 1 33 33 ALA N N 691 120.317 120.317 120.566 -0.249 18182 11749 1 19 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.719 -0.388 18182 11750 1 19 . 1 1 33 33 ALA C C 691 179.494 179.494 176.201 3.293 18182 11751 1 19 . 1 1 33 33 ALA CA C 691 51.850 51.850 50.577 1.273 18182 11752 1 19 . 1 1 33 33 ALA CB C 691 20.045 20.045 21.038 -0.993 18182 11753 1 19 . 1 1 33 33 ALA H H 691 8.453 8.453 8.405 0.048 18182 11754 1 19 . 1 1 34 34 SER N N 692 117.274 117.274 115.026 2.248 18182 11755 1 19 . 1 1 34 34 SER HA H 692 4.089 4.089 4.375 -0.286 18182 11756 1 19 . 1 1 34 34 SER C C 692 175.336 175.336 176.431 -1.095 18182 11757 1 19 . 1 1 34 34 SER CA C 692 60.531 60.531 60.050 0.481 18182 11758 1 19 . 1 1 34 34 SER CB C 692 63.308 63.308 63.431 -0.123 18182 11759 1 19 . 1 1 34 34 SER H H 692 8.997 8.997 8.677 0.320 18182 11760 1 19 . 1 1 35 35 GLY N N 693 113.573 113.573 115.076 -1.503 18182 11761 1 19 . 1 1 35 35 GLY C C 693 174.808 174.808 174.954 -0.146 18182 11762 1 19 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.319 -0.460 18182 11763 1 19 . 1 1 35 35 GLY H H 693 9.926 9.926 8.904 1.022 18182 11764 1 19 . 1 1 36 36 THR N N 694 121.076 121.076 121.563 -0.487 18182 11765 1 19 . 1 1 36 36 THR HA H 694 5.962 5.962 4.992 0.970 18182 11766 1 19 . 1 1 36 36 THR C C 694 173.297 173.297 173.953 -0.656 18182 11767 1 19 . 1 1 36 36 THR CA C 694 63.612 63.612 65.083 -1.471 18182 11768 1 19 . 1 1 36 36 THR CB C 694 68.317 68.317 68.672 -0.355 18182 11769 1 19 . 1 1 36 36 THR H H 694 8.291 8.291 7.523 0.768 18182 11770 1 19 . 1 1 37 37 TYR N N 695 123.616 123.616 124.301 -0.685 18182 11771 1 19 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.838 0.203 18182 11772 1 19 . 1 1 37 37 TYR C C 695 171.831 171.831 173.252 -1.421 18182 11773 1 19 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.864 0.441 18182 11774 1 19 . 1 1 37 37 TYR CB C 695 44.359 44.359 42.033 2.326 18182 11775 1 19 . 1 1 37 37 TYR H H 695 8.805 8.805 8.948 -0.143 18182 11776 1 19 . 1 1 38 38 LEU N N 696 115.449 115.449 115.238 0.211 18182 11777 1 19 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.615 -0.456 18182 11778 1 19 . 1 1 38 38 LEU C C 696 174.331 174.331 174.762 -0.431 18182 11779 1 19 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.445 -0.588 18182 11780 1 19 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.202 0.691 18182 11781 1 19 . 1 1 38 38 LEU H H 696 9.105 9.105 8.583 0.522 18182 11782 1 19 . 1 1 39 39 ILE N N 697 121.911 121.911 117.768 4.143 18182 11783 1 19 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.880 0.539 18182 11784 1 19 . 1 1 39 39 ILE C C 697 173.476 173.476 175.580 -2.104 18182 11785 1 19 . 1 1 39 39 ILE CA C 697 59.925 59.925 58.986 0.939 18182 11786 1 19 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.604 -1.675 18182 11787 1 19 . 1 1 39 39 ILE H H 697 9.313 9.313 8.244 1.069 18182 11788 1 19 . 1 1 40 40 ARG N N 698 122.878 122.878 120.644 2.234 18182 11789 1 19 . 1 1 40 40 ARG HA H 698 5.292 5.292 4.865 0.427 18182 11790 1 19 . 1 1 40 40 ARG C C 698 174.308 174.308 175.130 -0.822 18182 11791 1 19 . 1 1 40 40 ARG CA C 698 51.744 51.744 54.022 -2.278 18182 11792 1 19 . 1 1 40 40 ARG CB C 698 33.517 33.517 34.502 -0.985 18182 11793 1 19 . 1 1 40 40 ARG H H 698 9.185 9.185 8.860 0.325 18182 11794 1 19 . 1 1 41 41 GLU N N 699 122.405 122.405 120.917 1.488 18182 11795 1 19 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.199 0.698 18182 11796 1 19 . 1 1 41 41 GLU C C 699 176.242 176.242 175.574 0.668 18182 11797 1 19 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.847 -0.321 18182 11798 1 19 . 1 1 41 41 GLU CB C 699 32.133 32.133 31.442 0.691 18182 11799 1 19 . 1 1 41 41 GLU H H 699 8.634 8.634 8.188 0.446 18182 11800 1 19 . 1 1 42 42 ARG N N 700 125.045 125.045 125.582 -0.537 18182 11801 1 19 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.745 -0.051 18182 11802 1 19 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.523 0.050 18182 11803 1 19 . 1 1 42 42 ARG H H 700 8.639 8.639 8.312 0.327 18182 11804 1 19 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.458 -0.044 18182 11805 1 19 . 1 1 43 43 PRO CA C 701 63.411 63.411 62.848 0.563 18182 11806 1 19 . 1 1 43 43 PRO CB C 701 30.498 30.498 30.011 0.487 18182 11807 1 19 . 1 1 44 44 ALA N N 702 122.925 122.925 125.509 -2.584 18182 11808 1 19 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.477 -0.155 18182 11809 1 19 . 1 1 44 44 ALA C C 702 176.610 176.610 177.894 -1.284 18182 11810 1 19 . 1 1 44 44 ALA CA C 702 51.802 51.802 50.464 1.339 18182 11811 1 19 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.951 -0.560 18182 11812 1 19 . 1 1 44 44 ALA H H 702 7.888 7.888 7.769 0.119 18182 11813 1 19 . 1 1 45 45 GLU N N 703 118.799 118.799 119.106 -0.307 18182 11814 1 19 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.164 0.073 18182 11815 1 19 . 1 1 45 45 GLU C C 703 176.717 176.717 177.545 -0.828 18182 11816 1 19 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.611 -1.710 18182 11817 1 19 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.627 0.459 18182 11818 1 19 . 1 1 45 45 GLU H H 703 7.947 7.947 8.854 -0.907 18182 11819 1 19 . 1 1 46 46 ALA N N 704 120.631 120.631 120.917 -0.286 18182 11820 1 19 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.280 0.135 18182 11821 1 19 . 1 1 46 46 ALA C C 704 178.411 178.411 177.400 1.011 18182 11822 1 19 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.471 0.737 18182 11823 1 19 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.161 0.082 18182 11824 1 19 . 1 1 46 46 ALA H H 704 8.643 8.643 7.958 0.685 18182 11825 1 19 . 1 1 47 47 GLU N N 705 119.341 119.341 117.770 1.571 18182 11826 1 19 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.958 -0.102 18182 11827 1 19 . 1 1 47 47 GLU C C 705 176.013 176.013 176.368 -0.355 18182 11828 1 19 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.840 -0.982 18182 11829 1 19 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.721 -3.887 18182 11830 1 19 . 1 1 47 47 GLU H H 705 7.635 7.635 8.181 -0.546 18182 11831 1 19 . 1 1 48 48 ARG N N 706 120.355 120.355 121.724 -1.369 18182 11832 1 19 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.783 -0.818 18182 11833 1 19 . 1 1 48 48 ARG C C 706 175.117 175.117 175.702 -0.585 18182 11834 1 19 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.202 1.953 18182 11835 1 19 . 1 1 48 48 ARG CB C 706 31.691 31.691 33.488 -1.797 18182 11836 1 19 . 1 1 48 48 ARG H H 706 7.971 7.971 8.636 -0.665 18182 11837 1 19 . 1 1 49 49 PHE N N 707 112.251 112.251 116.005 -3.754 18182 11838 1 19 . 1 1 49 49 PHE HA H 707 5.905 5.905 5.031 0.874 18182 11839 1 19 . 1 1 49 49 PHE C C 707 173.875 173.875 173.637 0.238 18182 11840 1 19 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.429 -1.620 18182 11841 1 19 . 1 1 49 49 PHE CB C 707 43.075 43.075 44.171 -1.096 18182 11842 1 19 . 1 1 49 49 PHE H H 707 7.857 7.857 7.604 0.253 18182 11843 1 19 . 1 1 50 50 ALA N N 708 118.730 118.730 122.527 -3.797 18182 11844 1 19 . 1 1 50 50 ALA HA H 708 5.454 5.454 4.947 0.507 18182 11845 1 19 . 1 1 50 50 ALA C C 708 176.479 176.479 175.681 0.798 18182 11846 1 19 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.779 0.063 18182 11847 1 19 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.586 0.132 18182 11848 1 19 . 1 1 50 50 ALA H H 708 9.205 9.205 8.604 0.601 18182 11849 1 19 . 1 1 51 51 ILE N N 709 120.037 120.037 123.616 -3.579 18182 11850 1 19 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.830 -0.084 18182 11851 1 19 . 1 1 51 51 ILE C C 709 175.120 175.120 175.563 -0.443 18182 11852 1 19 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.409 0.314 18182 11853 1 19 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.359 -0.059 18182 11854 1 19 . 1 1 51 51 ILE H H 709 9.262 9.262 8.819 0.443 18182 11855 1 19 . 1 1 52 52 SER N N 710 125.087 125.087 119.106 5.981 18182 11856 1 19 . 1 1 52 52 SER HA H 710 5.468 5.468 5.167 0.301 18182 11857 1 19 . 1 1 52 52 SER C C 710 172.060 172.060 172.452 -0.392 18182 11858 1 19 . 1 1 52 52 SER CA C 710 57.761 57.761 56.890 0.871 18182 11859 1 19 . 1 1 52 52 SER CB C 710 65.210 65.210 65.438 -0.228 18182 11860 1 19 . 1 1 52 52 SER H H 710 9.205 9.205 8.738 0.467 18182 11861 1 19 . 1 1 53 53 ILE N N 711 121.753 121.753 125.064 -3.311 18182 11862 1 19 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.231 -0.036 18182 11863 1 19 . 1 1 53 53 ILE C C 711 173.070 173.070 173.185 -0.115 18182 11864 1 19 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.184 -1.429 18182 11865 1 19 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.024 0.333 18182 11866 1 19 . 1 1 53 53 ILE H H 711 8.989 8.989 8.397 0.592 18182 11867 1 19 . 1 1 54 54 LYS N N 712 128.758 128.758 127.944 0.814 18182 11868 1 19 . 1 1 54 54 LYS HA H 712 4.787 4.787 4.702 0.085 18182 11869 1 19 . 1 1 54 54 LYS C C 712 174.899 174.899 174.596 0.303 18182 11870 1 19 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.095 -0.728 18182 11871 1 19 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.758 -0.399 18182 11872 1 19 . 1 1 54 54 LYS H H 712 8.894 8.894 8.627 0.267 18182 11873 1 19 . 1 1 55 55 PHE N N 713 130.369 130.369 126.758 3.611 18182 11874 1 19 . 1 1 55 55 PHE HA H 713 4.947 4.947 5.001 -0.054 18182 11875 1 19 . 1 1 55 55 PHE C C 713 174.238 174.238 174.762 -0.524 18182 11876 1 19 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.125 1.040 18182 11877 1 19 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.814 -1.010 18182 11878 1 19 . 1 1 55 55 PHE H H 713 9.464 9.464 8.476 0.988 18182 11879 1 19 . 1 1 56 56 ASN N N 714 125.719 125.719 124.712 1.007 18182 11880 1 19 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.052 -0.111 18182 11881 1 19 . 1 1 56 56 ASN C C 714 174.003 174.003 174.019 -0.016 18182 11882 1 19 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.978 1.252 18182 11883 1 19 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.742 -1.602 18182 11884 1 19 . 1 1 56 56 ASN H H 714 8.411 8.411 8.578 -0.167 18182 11885 1 19 . 1 1 57 57 ASP N N 715 117.904 117.904 112.324 5.580 18182 11886 1 19 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.191 0.430 18182 11887 1 19 . 1 1 57 57 ASP C C 715 174.858 174.858 174.682 0.176 18182 11888 1 19 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.900 -0.718 18182 11889 1 19 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.151 0.735 18182 11890 1 19 . 1 1 57 57 ASP H H 715 8.542 8.542 8.547 -0.005 18182 11891 1 19 . 1 1 58 58 GLU N N 716 118.707 118.707 117.384 1.323 18182 11892 1 19 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.605 0.105 18182 11893 1 19 . 1 1 58 58 GLU C C 716 173.755 173.755 175.312 -1.557 18182 11894 1 19 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.291 -0.243 18182 11895 1 19 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.413 0.874 18182 11896 1 19 . 1 1 58 58 GLU H H 716 7.889 7.889 7.707 0.182 18182 11897 1 19 . 1 1 59 59 VAL N N 717 120.720 120.720 126.907 -6.187 18182 11898 1 19 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.081 0.349 18182 11899 1 19 . 1 1 59 59 VAL C C 717 175.071 175.071 175.981 -0.910 18182 11900 1 19 . 1 1 59 59 VAL CA C 717 62.139 62.139 63.802 -1.663 18182 11901 1 19 . 1 1 59 59 VAL CB C 717 32.071 32.071 32.053 0.017 18182 11902 1 19 . 1 1 59 59 VAL H H 717 8.536 8.536 8.603 -0.067 18182 11903 1 19 . 1 1 60 60 LYS N N 718 126.403 126.403 125.269 1.134 18182 11904 1 19 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.662 -0.107 18182 11905 1 19 . 1 1 60 60 LYS C C 718 174.578 174.578 174.756 -0.178 18182 11906 1 19 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.695 -0.578 18182 11907 1 19 . 1 1 60 60 LYS CB C 718 34.906 34.906 35.310 -0.404 18182 11908 1 19 . 1 1 60 60 LYS H H 718 8.879 8.879 8.720 0.159 18182 11909 1 19 . 1 1 61 61 HIS N N 719 118.939 118.939 118.187 0.752 18182 11910 1 19 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.331 0.179 18182 11911 1 19 . 1 1 61 61 HIS C C 719 174.482 174.482 174.862 -0.380 18182 11912 1 19 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.164 0.254 18182 11913 1 19 . 1 1 61 61 HIS CB C 719 35.249 35.249 33.078 2.171 18182 11914 1 19 . 1 1 61 61 HIS H H 719 8.846 8.846 8.450 0.396 18182 11915 1 19 . 1 1 62 62 ILE N N 720 124.690 124.690 125.063 -0.373 18182 11916 1 19 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.355 0.153 18182 11917 1 19 . 1 1 62 62 ILE C C 720 176.221 176.221 175.046 1.175 18182 11918 1 19 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.173 0.110 18182 11919 1 19 . 1 1 62 62 ILE CB C 720 43.022 43.022 38.879 4.143 18182 11920 1 19 . 1 1 62 62 ILE H H 720 9.704 9.704 9.085 0.619 18182 11921 1 19 . 1 1 63 63 LYS N N 721 126.432 126.432 127.796 -1.364 18182 11922 1 19 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.321 -0.186 18182 11923 1 19 . 1 1 63 63 LYS C C 721 174.783 174.783 175.809 -1.026 18182 11924 1 19 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.821 1.657 18182 11925 1 19 . 1 1 63 63 LYS CB C 721 33.853 33.853 32.767 1.086 18182 11926 1 19 . 1 1 63 63 LYS H H 721 9.100 9.100 8.692 0.408 18182 11927 1 19 . 1 1 64 64 VAL N N 722 123.306 123.306 123.016 0.290 18182 11928 1 19 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.295 -0.037 18182 11929 1 19 . 1 1 64 64 VAL C C 722 174.284 174.284 174.523 -0.239 18182 11930 1 19 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.943 -0.650 18182 11931 1 19 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.381 -0.835 18182 11932 1 19 . 1 1 64 64 VAL H H 722 8.441 8.441 8.378 0.063 18182 11933 1 19 . 1 1 65 65 VAL N N 723 126.508 126.508 127.818 -1.310 18182 11934 1 19 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.726 -0.444 18182 11935 1 19 . 1 1 65 65 VAL C C 723 174.127 174.127 175.053 -0.926 18182 11936 1 19 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.533 1.067 18182 11937 1 19 . 1 1 65 65 VAL CB C 723 33.717 33.717 32.826 0.891 18182 11938 1 19 . 1 1 65 65 VAL H H 723 8.462 8.462 8.154 0.308 18182 11939 1 19 . 1 1 66 66 GLU N N 724 126.016 126.016 129.147 -3.131 18182 11940 1 19 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.902 0.324 18182 11941 1 19 . 1 1 66 66 GLU C C 724 175.409 175.409 175.493 -0.084 18182 11942 1 19 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.614 -0.863 18182 11943 1 19 . 1 1 66 66 GLU CB C 724 32.457 32.457 30.979 1.478 18182 11944 1 19 . 1 1 66 66 GLU H H 724 8.619 8.619 8.635 -0.016 18182 11945 1 19 . 1 1 67 67 LYS N N 725 125.813 125.813 123.152 2.661 18182 11946 1 19 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.483 0.014 18182 11947 1 19 . 1 1 67 67 LYS C C 725 175.635 175.635 175.419 0.216 18182 11948 1 19 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.249 1.173 18182 11949 1 19 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.526 -0.228 18182 11950 1 19 . 1 1 67 67 LYS H H 725 8.740 8.740 7.764 0.976 18182 11951 1 19 . 1 1 68 68 ASP N N 726 126.958 126.958 120.262 6.696 18182 11952 1 19 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.334 -0.103 18182 11953 1 19 . 1 1 68 68 ASP C C 726 174.341 174.341 175.017 -0.676 18182 11954 1 19 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.512 0.741 18182 11955 1 19 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.488 0.011 18182 11956 1 19 . 1 1 68 68 ASP H H 726 9.499 9.499 8.880 0.619 18182 11957 1 19 . 1 1 69 69 ASN N N 727 110.214 110.214 113.770 -3.556 18182 11958 1 19 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.201 0.064 18182 11959 1 19 . 1 1 69 69 ASN C C 727 173.779 173.779 173.229 0.550 18182 11960 1 19 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.266 0.423 18182 11961 1 19 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.744 -0.256 18182 11962 1 19 . 1 1 69 69 ASN H H 727 8.348 8.348 8.545 -0.197 18182 11963 1 19 . 1 1 70 70 TRP N N 728 119.007 119.007 114.752 4.255 18182 11964 1 19 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.015 0.375 18182 11965 1 19 . 1 1 70 70 TRP C C 728 174.779 174.779 174.785 -0.006 18182 11966 1 19 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.694 1.133 18182 11967 1 19 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.695 0.860 18182 11968 1 19 . 1 1 70 70 TRP H H 728 8.063 8.063 7.426 0.637 18182 11969 1 19 . 1 1 71 71 ILE N N 729 122.016 122.016 120.281 1.735 18182 11970 1 19 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.537 1.063 18182 11971 1 19 . 1 1 71 71 ILE C C 729 175.184 175.184 173.686 1.498 18182 11972 1 19 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.974 -1.119 18182 11973 1 19 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.698 0.898 18182 11974 1 19 . 1 1 71 71 ILE H H 729 9.378 9.378 8.752 0.626 18182 11975 1 19 . 1 1 72 72 HIS N N 730 121.306 121.306 123.021 -1.715 18182 11976 1 19 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.261 -0.043 18182 11977 1 19 . 1 1 72 72 HIS C C 730 173.714 173.714 174.007 -0.293 18182 11978 1 19 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.582 1.060 18182 11979 1 19 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.750 0.755 18182 11980 1 19 . 1 1 72 72 HIS H H 730 9.048 9.048 7.835 1.213 18182 11981 1 19 . 1 1 73 73 ILE N N 731 112.643 112.643 116.188 -3.545 18182 11982 1 19 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.733 0.204 18182 11983 1 19 . 1 1 73 73 ILE C C 731 175.442 175.442 176.010 -0.568 18182 11984 1 19 . 1 1 73 73 ILE CA C 731 62.678 62.678 61.245 1.433 18182 11985 1 19 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.519 -0.113 18182 11986 1 19 . 1 1 73 73 ILE H H 731 9.499 9.499 8.824 0.675 18182 11987 1 19 . 1 1 74 74 THR N N 732 115.752 115.752 110.918 4.834 18182 11988 1 19 . 1 1 74 74 THR HA H 732 4.812 4.812 4.328 0.484 18182 11989 1 19 . 1 1 74 74 THR C C 732 173.575 173.575 175.655 -2.080 18182 11990 1 19 . 1 1 74 74 THR CA C 732 58.650 58.650 61.245 -2.595 18182 11991 1 19 . 1 1 74 74 THR CB C 732 70.177 70.177 69.248 0.929 18182 11992 1 19 . 1 1 74 74 THR H H 732 8.364 8.364 7.868 0.496 18182 11993 1 19 . 1 1 75 75 GLU N N 733 124.910 124.910 118.292 6.618 18182 11994 1 19 . 1 1 75 75 GLU HA H 733 2.973 2.973 3.708 -0.735 18182 11995 1 19 . 1 1 75 75 GLU C C 733 175.609 175.609 175.031 0.578 18182 11996 1 19 . 1 1 75 75 GLU CA C 733 58.662 58.662 57.934 0.728 18182 11997 1 19 . 1 1 75 75 GLU CB C 733 28.963 28.963 27.640 1.323 18182 11998 1 19 . 1 1 75 75 GLU H H 733 8.754 8.754 8.834 -0.080 18182 11999 1 19 . 1 1 76 76 ALA N N 734 117.847 117.847 116.661 1.186 18182 12000 1 19 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.237 -0.297 18182 12001 1 19 . 1 1 76 76 ALA C C 734 177.033 177.033 176.676 0.357 18182 12002 1 19 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.103 1.071 18182 12003 1 19 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.335 -0.842 18182 12004 1 19 . 1 1 76 76 ALA H H 734 7.538 7.538 7.576 -0.038 18182 12005 1 19 . 1 1 77 77 LYS N N 735 119.518 119.518 122.124 -2.606 18182 12006 1 19 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.081 0.030 18182 12007 1 19 . 1 1 77 77 LYS C C 735 171.953 171.953 175.006 -3.053 18182 12008 1 19 . 1 1 77 77 LYS CA C 735 54.699 54.699 54.844 -0.145 18182 12009 1 19 . 1 1 77 77 LYS CB C 735 33.285 33.285 31.498 1.787 18182 12010 1 19 . 1 1 77 77 LYS H H 735 7.326 7.326 7.587 -0.261 18182 12011 1 19 . 1 1 78 78 LYS N N 736 123.200 123.200 122.876 0.324 18182 12012 1 19 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.381 0.350 18182 12013 1 19 . 1 1 78 78 LYS C C 736 175.123 175.123 175.673 -0.550 18182 12014 1 19 . 1 1 78 78 LYS CA C 736 55.110 55.110 56.246 -1.136 18182 12015 1 19 . 1 1 78 78 LYS CB C 736 34.970 34.970 33.233 1.737 18182 12016 1 19 . 1 1 78 78 LYS H H 736 7.893 7.893 7.498 0.395 18182 12017 1 19 . 1 1 79 79 PHE N N 737 117.916 117.916 119.245 -1.329 18182 12018 1 19 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.692 0.302 18182 12019 1 19 . 1 1 79 79 PHE C C 737 175.595 175.595 176.025 -0.430 18182 12020 1 19 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.752 0.190 18182 12021 1 19 . 1 1 79 79 PHE CB C 737 43.413 43.413 43.090 0.323 18182 12022 1 19 . 1 1 79 79 PHE H H 737 9.121 9.121 8.300 0.821 18182 12023 1 19 . 1 1 80 80 ASP N N 738 119.341 119.341 120.791 -1.450 18182 12024 1 19 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.000 -0.251 18182 12025 1 19 . 1 1 80 80 ASP C C 738 176.035 176.035 176.595 -0.560 18182 12026 1 19 . 1 1 80 80 ASP CA C 738 55.712 55.712 56.878 -1.166 18182 12027 1 19 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.859 -0.150 18182 12028 1 19 . 1 1 80 80 ASP H H 738 9.377 9.377 9.254 0.123 18182 12029 1 19 . 1 1 81 81 SER N N 739 108.518 108.518 109.137 -0.619 18182 12030 1 19 . 1 1 81 81 SER HA H 739 4.694 4.694 4.714 -0.020 18182 12031 1 19 . 1 1 81 81 SER C C 739 173.791 173.791 173.726 0.065 18182 12032 1 19 . 1 1 81 81 SER CA C 739 57.049 57.049 57.384 -0.335 18182 12033 1 19 . 1 1 81 81 SER CB C 739 66.839 66.839 65.445 1.393 18182 12034 1 19 . 1 1 81 81 SER H H 739 7.447 7.447 7.622 -0.175 18182 12035 1 19 . 1 1 82 82 LEU N N 740 122.626 122.626 123.952 -1.326 18182 12036 1 19 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.202 -0.391 18182 12037 1 19 . 1 1 82 82 LEU C C 740 177.172 177.172 177.722 -0.550 18182 12038 1 19 . 1 1 82 82 LEU CA C 740 57.469 57.469 57.854 -0.385 18182 12039 1 19 . 1 1 82 82 LEU CB C 740 40.819 40.819 41.995 -1.176 18182 12040 1 19 . 1 1 82 82 LEU H H 740 8.969 8.969 8.684 0.285 18182 12041 1 19 . 1 1 83 83 LEU N N 741 116.575 116.575 119.650 -3.075 18182 12042 1 19 . 1 1 83 83 LEU HA H 741 3.837 3.837 4.145 -0.308 18182 12043 1 19 . 1 1 83 83 LEU C C 741 177.492 177.492 178.853 -1.361 18182 12044 1 19 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.798 -0.534 18182 12045 1 19 . 1 1 83 83 LEU CB C 741 41.929 41.929 40.736 1.193 18182 12046 1 19 . 1 1 83 83 LEU H H 741 7.770 7.770 7.791 -0.021 18182 12047 1 19 . 1 1 84 84 GLU N N 742 116.865 116.865 118.508 -1.643 18182 12048 1 19 . 1 1 84 84 GLU HA H 742 3.918 3.918 3.989 -0.071 18182 12049 1 19 . 1 1 84 84 GLU C C 742 178.252 178.252 179.158 -0.906 18182 12050 1 19 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.864 -0.473 18182 12051 1 19 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.227 1.232 18182 12052 1 19 . 1 1 84 84 GLU H H 742 7.585 7.585 8.064 -0.479 18182 12053 1 19 . 1 1 85 85 LEU N N 743 122.164 122.164 121.021 1.143 18182 12054 1 19 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.875 -0.847 18182 12055 1 19 . 1 1 85 85 LEU C C 743 177.335 177.335 178.838 -1.503 18182 12056 1 19 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.731 1.040 18182 12057 1 19 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.934 -0.107 18182 12058 1 19 . 1 1 85 85 LEU H H 743 7.109 7.109 7.282 -0.173 18182 12059 1 19 . 1 1 86 86 VAL N N 744 119.760 119.760 118.701 1.059 18182 12060 1 19 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.341 -0.488 18182 12061 1 19 . 1 1 86 86 VAL C C 744 177.675 177.675 177.930 -0.255 18182 12062 1 19 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.807 0.306 18182 12063 1 19 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.967 0.144 18182 12064 1 19 . 1 1 86 86 VAL H H 744 8.113 8.113 8.382 -0.269 18182 12065 1 19 . 1 1 87 87 GLU N N 745 116.227 116.227 119.707 -3.480 18182 12066 1 19 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.928 -0.166 18182 12067 1 19 . 1 1 87 87 GLU C C 745 179.530 179.530 179.402 0.128 18182 12068 1 19 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.664 -0.226 18182 12069 1 19 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.379 -0.227 18182 12070 1 19 . 1 1 87 87 GLU H H 745 8.182 8.182 8.276 -0.094 18182 12071 1 19 . 1 1 88 88 TYR N N 746 120.102 120.102 119.314 0.788 18182 12072 1 19 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.106 0.041 18182 12073 1 19 . 1 1 88 88 TYR C C 746 179.970 179.970 178.244 1.726 18182 12074 1 19 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.272 0.458 18182 12075 1 19 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.532 0.355 18182 12076 1 19 . 1 1 88 88 TYR H H 746 7.795 7.795 8.251 -0.456 18182 12077 1 19 . 1 1 89 89 TYR N N 747 118.508 118.508 118.021 0.487 18182 12078 1 19 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.586 0.515 18182 12079 1 19 . 1 1 89 89 TYR C C 747 175.885 175.885 178.428 -2.543 18182 12080 1 19 . 1 1 89 89 TYR CA C 747 61.177 61.177 61.208 -0.031 18182 12081 1 19 . 1 1 89 89 TYR CB C 747 37.043 37.043 38.033 -0.990 18182 12082 1 19 . 1 1 89 89 TYR H H 747 7.798 7.798 8.060 -0.262 18182 12083 1 19 . 1 1 90 90 GLN N N 748 118.741 118.741 118.165 0.576 18182 12084 1 19 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.697 0.723 18182 12085 1 19 . 1 1 90 90 GLN C C 748 177.767 177.767 176.843 0.924 18182 12086 1 19 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.779 -0.909 18182 12087 1 19 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.448 0.225 18182 12088 1 19 . 1 1 90 90 GLN H H 748 7.925 7.925 8.150 -0.225 18182 12089 1 19 . 1 1 91 91 CYS N N 749 111.312 111.312 114.109 -2.797 18182 12090 1 19 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.223 0.418 18182 12091 1 19 . 1 1 91 91 CYS C C 749 173.010 173.010 174.519 -1.509 18182 12092 1 19 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.404 -0.869 18182 12093 1 19 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.381 -0.202 18182 12094 1 19 . 1 1 91 91 CYS H H 749 7.178 7.178 7.271 -0.093 18182 12095 1 19 . 1 1 92 92 HIS N N 750 120.386 120.386 119.053 1.333 18182 12096 1 19 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.616 -0.248 18182 12097 1 19 . 1 1 92 92 HIS C C 750 171.815 171.815 174.405 -2.590 18182 12098 1 19 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.432 -0.264 18182 12099 1 19 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.290 -0.984 18182 12100 1 19 . 1 1 92 92 HIS H H 750 7.540 7.540 7.626 -0.086 18182 12101 1 19 . 1 1 93 93 SER N N 751 113.259 113.259 117.609 -4.350 18182 12102 1 19 . 1 1 93 93 SER HA H 751 3.812 3.812 4.513 -0.701 18182 12103 1 19 . 1 1 93 93 SER C C 751 176.644 176.644 175.980 0.664 18182 12104 1 19 . 1 1 93 93 SER CA C 751 58.040 58.040 57.878 0.162 18182 12105 1 19 . 1 1 93 93 SER CB C 751 62.954 62.954 63.975 -1.021 18182 12106 1 19 . 1 1 93 93 SER H H 751 8.397 8.397 8.742 -0.345 18182 12107 1 19 . 1 1 94 94 LEU N N 752 127.166 127.166 123.749 3.417 18182 12108 1 19 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.805 -0.665 18182 12109 1 19 . 1 1 94 94 LEU C C 752 177.462 177.462 177.542 -0.080 18182 12110 1 19 . 1 1 94 94 LEU CA C 752 58.300 58.300 55.560 2.740 18182 12111 1 19 . 1 1 94 94 LEU CB C 752 42.332 42.332 40.813 1.519 18182 12112 1 19 . 1 1 94 94 LEU H H 752 8.580 8.580 8.461 0.119 18182 12113 1 19 . 1 1 95 95 LYS N N 753 122.119 122.119 119.860 2.259 18182 12114 1 19 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.515 -0.075 18182 12115 1 19 . 1 1 95 95 LYS C C 753 176.253 176.253 178.547 -2.294 18182 12116 1 19 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.769 -1.540 18182 12117 1 19 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.971 0.373 18182 12118 1 19 . 1 1 95 95 LYS H H 753 8.322 8.322 7.573 0.749 18182 12119 1 19 . 1 1 96 96 GLU N N 754 115.310 115.310 119.702 -4.392 18182 12120 1 19 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.063 0.074 18182 12121 1 19 . 1 1 96 96 GLU C C 754 176.704 176.704 178.091 -1.387 18182 12122 1 19 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.683 -0.194 18182 12123 1 19 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.253 0.424 18182 12124 1 19 . 1 1 96 96 GLU H H 754 7.197 7.197 8.063 -0.866 18182 12125 1 19 . 1 1 97 97 SER N N 755 113.390 113.390 113.593 -0.203 18182 12126 1 19 . 1 1 97 97 SER HA H 755 4.583 4.583 4.280 0.303 18182 12127 1 19 . 1 1 97 97 SER C C 755 171.185 171.185 174.173 -2.988 18182 12128 1 19 . 1 1 97 97 SER CA C 755 59.569 59.569 59.980 -0.411 18182 12129 1 19 . 1 1 97 97 SER CB C 755 66.435 66.435 64.394 2.042 18182 12130 1 19 . 1 1 97 97 SER H H 755 7.857 7.857 7.640 0.217 18182 12131 1 19 . 1 1 98 98 PHE N N 756 121.328 121.328 121.197 0.131 18182 12132 1 19 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.735 0.030 18182 12133 1 19 . 1 1 98 98 PHE C C 756 175.774 175.774 175.588 0.186 18182 12134 1 19 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.463 0.408 18182 12135 1 19 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.634 1.077 18182 12136 1 19 . 1 1 98 98 PHE H H 756 8.409 8.409 8.591 -0.182 18182 12137 1 19 . 1 1 99 99 LYS N N 757 121.656 121.656 125.038 -3.382 18182 12138 1 19 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.144 -0.031 18182 12139 1 19 . 1 1 99 99 LYS C C 757 177.188 177.188 177.421 -0.233 18182 12140 1 19 . 1 1 99 99 LYS CA C 757 59.736 59.736 58.939 0.797 18182 12141 1 19 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.085 0.271 18182 12142 1 19 . 1 1 99 99 LYS H H 757 8.602 8.602 8.722 -0.120 18182 12143 1 19 . 1 1 100 100 GLN N N 758 115.783 115.783 117.932 -2.149 18182 12144 1 19 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.252 0.131 18182 12145 1 19 . 1 1 100 100 GLN C C 758 175.849 175.849 175.863 -0.014 18182 12146 1 19 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.413 -1.581 18182 12147 1 19 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.052 -0.735 18182 12148 1 19 . 1 1 100 100 GLN H H 758 9.139 9.139 8.327 0.812 18182 12149 1 19 . 1 1 101 101 LEU N N 759 124.876 124.876 118.971 5.905 18182 12150 1 19 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.273 -0.581 18182 12151 1 19 . 1 1 101 101 LEU C C 759 173.219 173.219 174.675 -1.456 18182 12152 1 19 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.350 -1.902 18182 12153 1 19 . 1 1 101 101 LEU CB C 759 41.988 41.988 44.069 -2.081 18182 12154 1 19 . 1 1 101 101 LEU H H 759 7.924 7.924 7.552 0.372 18182 12155 1 19 . 1 1 102 102 ASP N N 760 119.263 119.263 118.646 0.617 18182 12156 1 19 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.718 -0.151 18182 12157 1 19 . 1 1 102 102 ASP C C 760 173.570 173.570 174.547 -0.977 18182 12158 1 19 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.655 -1.780 18182 12159 1 19 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.922 -2.893 18182 12160 1 19 . 1 1 102 102 ASP H H 760 6.564 6.564 6.963 -0.399 18182 12161 1 19 . 1 1 103 103 THR N N 761 117.311 117.311 113.160 4.151 18182 12162 1 19 . 1 1 103 103 THR HA H 761 4.701 4.701 4.743 -0.042 18182 12163 1 19 . 1 1 103 103 THR C C 761 172.169 172.169 172.664 -0.495 18182 12164 1 19 . 1 1 103 103 THR CA C 761 60.491 60.491 59.330 1.161 18182 12165 1 19 . 1 1 103 103 THR CB C 761 69.358 69.358 70.290 -0.932 18182 12166 1 19 . 1 1 103 103 THR H H 761 7.699 7.699 7.365 0.334 18182 12167 1 19 . 1 1 104 104 THR N N 762 114.211 114.211 112.672 1.539 18182 12168 1 19 . 1 1 104 104 THR HA H 762 4.603 4.603 4.568 0.035 18182 12169 1 19 . 1 1 104 104 THR C C 762 175.647 175.647 173.902 1.745 18182 12170 1 19 . 1 1 104 104 THR CA C 762 60.899 60.899 59.519 1.380 18182 12171 1 19 . 1 1 104 104 THR CB C 762 70.981 70.981 72.032 -1.051 18182 12172 1 19 . 1 1 104 104 THR H H 762 7.300 7.300 8.060 -0.760 18182 12173 1 19 . 1 1 105 105 LEU N N 763 117.640 117.640 121.902 -4.262 18182 12174 1 19 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.792 -0.269 18182 12175 1 19 . 1 1 105 105 LEU C C 763 174.500 174.500 176.243 -1.743 18182 12176 1 19 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.748 -0.593 18182 12177 1 19 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.164 -3.417 18182 12178 1 19 . 1 1 105 105 LEU H H 763 8.113 8.113 8.292 -0.179 18182 12179 1 19 . 1 1 106 106 LYS N N 764 127.345 127.345 123.925 3.420 18182 12180 1 19 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.088 -0.077 18182 12181 1 19 . 1 1 106 106 LYS C C 764 176.781 176.781 176.253 0.528 18182 12182 1 19 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.945 2.943 18182 12183 1 19 . 1 1 106 106 LYS CB C 764 35.223 35.223 33.763 1.460 18182 12184 1 19 . 1 1 106 106 LYS H H 764 7.181 7.181 7.954 -0.773 18182 12185 1 19 . 1 1 107 107 TYR N N 765 115.756 115.756 117.629 -1.873 18182 12186 1 19 . 1 1 107 107 TYR HA H 765 5.521 5.521 5.018 0.503 18182 12187 1 19 . 1 1 107 107 TYR C C 765 172.106 172.106 173.028 -0.922 18182 12188 1 19 . 1 1 107 107 TYR CA C 765 52.621 52.621 54.668 -2.047 18182 12189 1 19 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.655 1.863 18182 12190 1 19 . 1 1 107 107 TYR H H 765 7.877 7.877 7.617 0.260 18182 12191 1 19 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.181 -0.508 18182 12192 1 19 . 1 1 108 108 PRO C C 766 180.696 180.696 177.018 3.678 18182 12193 1 19 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.900 0.711 18182 12194 1 19 . 1 1 109 109 TYR N N 767 122.570 122.570 114.746 7.824 18182 12195 1 19 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.151 -0.334 18182 12196 1 19 . 1 1 109 109 TYR C C 767 174.769 174.769 177.236 -2.467 18182 12197 1 19 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.309 1.874 18182 12198 1 19 . 1 1 109 109 TYR CB C 767 37.467 37.467 38.102 -0.635 18182 12199 1 19 . 1 1 109 109 TYR H H 767 8.341 8.341 7.647 0.694 18182 12200 1 19 . 1 1 110 110 LYS N N 768 118.398 118.398 119.859 -1.461 18182 12201 1 19 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.867 0.075 18182 12202 1 19 . 1 1 110 110 LYS C C 768 176.453 176.453 177.149 -0.696 18182 12203 1 19 . 1 1 110 110 LYS CA C 768 56.901 56.901 59.192 -2.291 18182 12204 1 19 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.254 0.327 18182 12205 1 19 . 1 1 110 110 LYS H H 768 6.790 6.790 7.069 -0.279 18182 12206 1 19 . 1 1 111 111 SER N N 769 114.260 114.260 111.399 2.861 18182 12207 1 19 . 1 1 111 111 SER HA H 769 4.384 4.384 4.158 0.226 18182 12208 1 19 . 1 1 111 111 SER C C 769 174.124 174.124 173.408 0.716 18182 12209 1 19 . 1 1 111 111 SER CA C 769 58.802 58.802 57.999 0.803 18182 12210 1 19 . 1 1 111 111 SER CB C 769 64.206 64.206 62.763 1.443 18182 12211 1 19 . 1 1 111 111 SER H H 769 7.769 7.769 8.194 -0.425 18182 12212 1 19 . 1 1 112 112 ARG N N 770 122.485 122.485 113.807 8.678 18182 12213 1 19 . 1 1 112 112 ARG HA H 770 4.378 4.378 3.989 0.389 18182 12214 1 19 . 1 1 112 112 ARG C C 770 175.139 175.139 175.544 -0.405 18182 12215 1 19 . 1 1 112 112 ARG CA C 770 55.628 55.628 57.012 -1.384 18182 12216 1 19 . 1 1 112 112 ARG CB C 770 30.935 30.935 28.063 2.872 18182 12217 1 19 . 1 1 112 112 ARG H H 770 8.109 8.109 8.270 -0.161 18182 12218 1 20 . 1 1 2 2 ARG N N 660 123.565 123.565 125.774 -2.209 18182 12219 1 20 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.468 0.162 18182 12220 1 20 . 1 1 2 2 ARG C C 660 173.529 173.529 173.988 -0.459 18182 12221 1 20 . 1 1 2 2 ARG CA C 660 53.869 53.869 55.014 -1.145 18182 12222 1 20 . 1 1 2 2 ARG CB C 660 30.428 30.428 30.226 0.202 18182 12223 1 20 . 1 1 2 2 ARG H H 660 8.295 8.295 8.043 0.252 18182 12224 1 20 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.529 0.143 18182 12225 1 20 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.506 -0.094 18182 12226 1 20 . 1 1 4 4 PRO C C 662 177.096 177.096 176.118 0.978 18182 12227 1 20 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.284 0.012 18182 12228 1 20 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.473 -0.451 18182 12229 1 20 . 1 1 5 5 SER N N 663 116.025 116.025 116.231 -0.206 18182 12230 1 20 . 1 1 5 5 SER HA H 663 4.374 4.374 4.660 -0.286 18182 12231 1 20 . 1 1 5 5 SER C C 663 174.815 174.815 174.179 0.636 18182 12232 1 20 . 1 1 5 5 SER CA C 663 58.797 58.797 58.002 0.795 18182 12233 1 20 . 1 1 5 5 SER CB C 663 64.024 64.024 63.427 0.597 18182 12234 1 20 . 1 1 5 5 SER H H 663 8.406 8.406 8.376 0.030 18182 12235 1 20 . 1 1 6 6 ARG N N 664 122.062 122.062 121.575 0.487 18182 12236 1 20 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.623 -0.244 18182 12237 1 20 . 1 1 6 6 ARG C C 664 175.958 175.958 176.418 -0.460 18182 12238 1 20 . 1 1 6 6 ARG CA C 664 56.136 56.136 55.253 0.883 18182 12239 1 20 . 1 1 6 6 ARG CB C 664 30.712 30.712 31.537 -0.825 18182 12240 1 20 . 1 1 6 6 ARG H H 664 8.371 8.371 7.850 0.521 18182 12241 1 20 . 1 1 7 7 GLU N N 665 122.160 122.160 119.885 2.275 18182 12242 1 20 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.527 -0.214 18182 12243 1 20 . 1 1 7 7 GLU C C 665 175.842 175.842 176.384 -0.542 18182 12244 1 20 . 1 1 7 7 GLU CA C 665 56.410 56.410 55.762 0.648 18182 12245 1 20 . 1 1 7 7 GLU CB C 665 29.972 29.972 30.826 -0.854 18182 12246 1 20 . 1 1 7 7 GLU H H 665 8.352 8.352 8.450 -0.097 18182 12247 1 20 . 1 1 8 8 ILE N N 666 123.828 123.828 121.839 1.989 18182 12248 1 20 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.022 -0.182 18182 12249 1 20 . 1 1 8 8 ILE C C 666 174.373 174.373 175.607 -1.234 18182 12250 1 20 . 1 1 8 8 ILE CA C 666 60.927 60.927 61.559 -0.632 18182 12251 1 20 . 1 1 8 8 ILE CB C 666 39.541 39.541 38.077 1.464 18182 12252 1 20 . 1 1 8 8 ILE H H 666 7.938 7.938 8.402 -0.464 18182 12253 1 20 . 1 1 9 9 ASP N N 667 124.338 124.338 128.556 -4.218 18182 12254 1 20 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.670 -0.051 18182 12255 1 20 . 1 1 9 9 ASP C C 667 177.006 177.006 175.864 1.142 18182 12256 1 20 . 1 1 9 9 ASP CA C 667 52.052 52.052 52.705 -0.652 18182 12257 1 20 . 1 1 9 9 ASP CB C 667 40.364 40.364 38.818 1.546 18182 12258 1 20 . 1 1 9 9 ASP H H 667 8.111 8.111 8.741 -0.630 18182 12259 1 20 . 1 1 10 10 TYR N N 668 125.199 125.199 121.249 3.950 18182 12260 1 20 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.383 -0.195 18182 12261 1 20 . 1 1 10 10 TYR C C 668 175.947 175.947 177.536 -1.589 18182 12262 1 20 . 1 1 10 10 TYR CA C 668 60.683 60.683 62.011 -1.328 18182 12263 1 20 . 1 1 10 10 TYR CB C 668 36.236 36.236 38.288 -2.052 18182 12264 1 20 . 1 1 10 10 TYR H H 668 8.495 8.495 7.946 0.549 18182 12265 1 20 . 1 1 11 11 THR N N 669 108.617 108.617 109.323 -0.706 18182 12266 1 20 . 1 1 11 11 THR HA H 669 4.148 4.148 3.051 1.097 18182 12267 1 20 . 1 1 11 11 THR C C 669 175.184 175.184 175.016 0.168 18182 12268 1 20 . 1 1 11 11 THR CA C 669 65.022 65.022 63.813 1.209 18182 12269 1 20 . 1 1 11 11 THR CB C 669 69.280 69.280 68.306 0.974 18182 12270 1 20 . 1 1 11 11 THR H H 669 8.011 8.011 7.957 0.054 18182 12271 1 20 . 1 1 12 12 ALA N N 670 121.275 121.275 122.867 -1.592 18182 12272 1 20 . 1 1 12 12 ALA HA H 670 4.076 4.076 3.970 0.106 18182 12273 1 20 . 1 1 12 12 ALA C C 670 177.815 177.815 177.728 0.087 18182 12274 1 20 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.102 -0.546 18182 12275 1 20 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.267 0.607 18182 12276 1 20 . 1 1 12 12 ALA H H 670 7.411 7.411 7.117 0.294 18182 12277 1 20 . 1 1 13 13 TYR N N 671 117.883 117.883 117.685 0.198 18182 12278 1 20 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.152 0.149 18182 12279 1 20 . 1 1 13 13 TYR C C 671 176.698 176.698 174.686 2.012 18182 12280 1 20 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.557 0.429 18182 12281 1 20 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.200 -0.385 18182 12282 1 20 . 1 1 13 13 TYR H H 671 7.538 7.538 7.068 0.470 18182 12283 1 20 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.135 0.221 18182 12284 1 20 . 1 1 14 14 PRO C C 672 173.452 173.452 177.487 -4.035 18182 12285 1 20 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.686 -0.363 18182 12286 1 20 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.225 -1.002 18182 12287 1 20 . 1 1 15 15 TRP N N 673 110.044 110.044 116.426 -6.382 18182 12288 1 20 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.399 0.393 18182 12289 1 20 . 1 1 15 15 TRP C C 673 175.577 175.577 176.039 -0.462 18182 12290 1 20 . 1 1 15 15 TRP CA C 673 53.157 53.157 56.921 -3.764 18182 12291 1 20 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.573 3.800 18182 12292 1 20 . 1 1 15 15 TRP H H 673 6.229 6.229 7.446 -1.217 18182 12293 1 20 . 1 1 16 16 PHE N N 674 123.205 123.205 122.038 1.167 18182 12294 1 20 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.746 0.425 18182 12295 1 20 . 1 1 16 16 PHE C C 674 174.832 174.832 174.107 0.725 18182 12296 1 20 . 1 1 16 16 PHE CA C 674 59.872 59.872 57.838 2.034 18182 12297 1 20 . 1 1 16 16 PHE CB C 674 40.208 40.208 38.818 1.390 18182 12298 1 20 . 1 1 16 16 PHE H H 674 7.625 7.625 7.256 0.369 18182 12299 1 20 . 1 1 17 17 ALA N N 675 130.669 130.669 130.152 0.517 18182 12300 1 20 . 1 1 17 17 ALA HA H 675 4.948 4.948 5.193 -0.245 18182 12301 1 20 . 1 1 17 17 ALA C C 675 177.266 177.266 177.105 0.161 18182 12302 1 20 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.003 1.265 18182 12303 1 20 . 1 1 17 17 ALA CB C 675 22.428 22.428 22.099 0.329 18182 12304 1 20 . 1 1 17 17 ALA H H 675 9.097 9.097 8.710 0.387 18182 12305 1 20 . 1 1 18 18 GLY C C 676 174.230 174.230 174.024 0.206 18182 12306 1 20 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.678 2.252 18182 12307 1 20 . 1 1 19 19 ASN N N 677 124.910 124.910 119.986 4.924 18182 12308 1 20 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.942 -0.048 18182 12309 1 20 . 1 1 19 19 ASN C C 677 174.597 174.597 174.729 -0.132 18182 12310 1 20 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.208 -0.266 18182 12311 1 20 . 1 1 19 19 ASN CB C 677 36.959 36.959 38.057 -1.098 18182 12312 1 20 . 1 1 19 19 ASN H H 677 8.682 8.682 8.535 0.147 18182 12313 1 20 . 1 1 20 20 MET N N 678 122.347 122.347 122.668 -0.321 18182 12314 1 20 . 1 1 20 20 MET HA H 678 4.115 4.115 4.642 -0.527 18182 12315 1 20 . 1 1 20 20 MET C C 678 175.451 175.451 175.074 0.377 18182 12316 1 20 . 1 1 20 20 MET CA C 678 56.675 56.675 54.641 2.034 18182 12317 1 20 . 1 1 20 20 MET CB C 678 35.208 35.208 35.132 0.076 18182 12318 1 20 . 1 1 20 20 MET H H 678 7.006 7.006 7.670 -0.664 18182 12319 1 20 . 1 1 21 21 GLU N N 679 124.989 124.989 121.774 3.215 18182 12320 1 20 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.568 -0.277 18182 12321 1 20 . 1 1 21 21 GLU C C 679 178.232 178.232 177.420 0.812 18182 12322 1 20 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.746 0.381 18182 12323 1 20 . 1 1 21 21 GLU CB C 679 30.932 30.932 31.715 -0.783 18182 12324 1 20 . 1 1 21 21 GLU H H 679 8.761 8.761 8.678 0.083 18182 12325 1 20 . 1 1 22 22 ARG N N 680 125.521 125.521 122.122 3.399 18182 12326 1 20 . 1 1 22 22 ARG HA H 680 3.336 3.336 4.039 -0.703 18182 12327 1 20 . 1 1 22 22 ARG C C 680 177.707 177.707 178.157 -0.450 18182 12328 1 20 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.870 0.174 18182 12329 1 20 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.975 0.082 18182 12330 1 20 . 1 1 22 22 ARG H H 680 9.406 9.406 8.838 0.568 18182 12331 1 20 . 1 1 23 23 GLN N N 681 117.320 117.320 117.704 -0.384 18182 12332 1 20 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.022 0.043 18182 12333 1 20 . 1 1 23 23 GLN C C 681 178.317 178.317 178.194 0.123 18182 12334 1 20 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.833 0.918 18182 12335 1 20 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.530 0.254 18182 12336 1 20 . 1 1 23 23 GLN H H 681 9.048 9.048 8.670 0.378 18182 12337 1 20 . 1 1 24 24 GLN N N 682 117.909 117.909 119.759 -1.850 18182 12338 1 20 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.221 -0.100 18182 12339 1 20 . 1 1 24 24 GLN C C 682 178.190 178.190 178.619 -0.429 18182 12340 1 20 . 1 1 24 24 GLN CA C 682 58.743 58.743 58.767 -0.024 18182 12341 1 20 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.396 -0.081 18182 12342 1 20 . 1 1 24 24 GLN H H 682 7.182 7.182 8.255 -1.073 18182 12343 1 20 . 1 1 25 25 THR N N 683 117.007 117.007 116.846 0.161 18182 12344 1 20 . 1 1 25 25 THR HA H 683 3.681 3.681 3.950 -0.269 18182 12345 1 20 . 1 1 25 25 THR C C 683 175.786 175.786 176.671 -0.885 18182 12346 1 20 . 1 1 25 25 THR CA C 683 67.702 67.702 67.510 0.192 18182 12347 1 20 . 1 1 25 25 THR CB C 683 68.000 68.000 68.147 -0.147 18182 12348 1 20 . 1 1 25 25 THR H H 683 7.903 7.903 8.319 -0.416 18182 12349 1 20 . 1 1 26 26 ASP N N 684 122.824 122.824 120.974 1.850 18182 12350 1 20 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.433 -0.153 18182 12351 1 20 . 1 1 26 26 ASP C C 684 178.269 178.269 178.213 0.056 18182 12352 1 20 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.892 0.244 18182 12353 1 20 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.966 -0.788 18182 12354 1 20 . 1 1 26 26 ASP H H 684 8.430 8.430 8.392 0.038 18182 12355 1 20 . 1 1 27 27 ASN N N 685 115.634 115.634 118.738 -3.104 18182 12356 1 20 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.522 -0.163 18182 12357 1 20 . 1 1 27 27 ASN C C 685 177.065 177.065 178.334 -1.269 18182 12358 1 20 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.679 0.232 18182 12359 1 20 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.384 0.122 18182 12360 1 20 . 1 1 27 27 ASN H H 685 7.647 7.647 7.740 -0.093 18182 12361 1 20 . 1 1 28 28 LEU N N 686 120.594 120.594 120.918 -0.324 18182 12362 1 20 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.197 0.032 18182 12363 1 20 . 1 1 28 28 LEU C C 686 179.502 179.502 178.557 0.945 18182 12364 1 20 . 1 1 28 28 LEU CA C 686 57.980 57.980 57.792 0.188 18182 12365 1 20 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.405 0.698 18182 12366 1 20 . 1 1 28 28 LEU H H 686 8.093 8.093 8.338 -0.245 18182 12367 1 20 . 1 1 29 29 LEU N N 687 115.149 115.149 116.444 -1.295 18182 12368 1 20 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.386 -0.304 18182 12369 1 20 . 1 1 29 29 LEU C C 687 178.910 178.910 178.107 0.803 18182 12370 1 20 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.110 0.807 18182 12371 1 20 . 1 1 29 29 LEU CB C 687 42.898 42.898 42.414 0.484 18182 12372 1 20 . 1 1 29 29 LEU H H 687 8.386 8.386 7.956 0.430 18182 12373 1 20 . 1 1 30 30 LYS N N 688 118.086 118.086 117.596 0.490 18182 12374 1 20 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.071 -0.333 18182 12375 1 20 . 1 1 30 30 LYS C C 688 177.312 177.312 177.757 -0.445 18182 12376 1 20 . 1 1 30 30 LYS CA C 688 60.509 60.509 58.454 2.055 18182 12377 1 20 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.286 -0.196 18182 12378 1 20 . 1 1 30 30 LYS H H 688 7.752 7.752 8.267 -0.515 18182 12379 1 20 . 1 1 31 31 SER N N 689 111.134 111.134 113.251 -2.117 18182 12380 1 20 . 1 1 31 31 SER HA H 689 4.460 4.460 4.468 -0.008 18182 12381 1 20 . 1 1 31 31 SER C C 689 174.501 174.501 174.961 -0.460 18182 12382 1 20 . 1 1 31 31 SER CA C 689 58.559 58.559 59.428 -0.869 18182 12383 1 20 . 1 1 31 31 SER CB C 689 63.528 63.528 63.886 -0.358 18182 12384 1 20 . 1 1 31 31 SER H H 689 7.629 7.629 8.062 -0.433 18182 12385 1 20 . 1 1 32 32 HIS N N 690 120.218 120.218 120.418 -0.200 18182 12386 1 20 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.491 0.165 18182 12387 1 20 . 1 1 32 32 HIS C C 690 173.855 173.855 174.633 -0.778 18182 12388 1 20 . 1 1 32 32 HIS CA C 690 56.219 56.219 57.054 -0.835 18182 12389 1 20 . 1 1 32 32 HIS CB C 690 31.924 31.924 30.626 1.298 18182 12390 1 20 . 1 1 32 32 HIS H H 690 7.701 7.701 7.519 0.182 18182 12391 1 20 . 1 1 33 33 ALA N N 691 120.317 120.317 122.079 -1.762 18182 12392 1 20 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.556 -0.225 18182 12393 1 20 . 1 1 33 33 ALA C C 691 179.494 179.494 176.877 2.617 18182 12394 1 20 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.371 0.479 18182 12395 1 20 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.468 -0.423 18182 12396 1 20 . 1 1 33 33 ALA H H 691 8.453 8.453 8.686 -0.233 18182 12397 1 20 . 1 1 34 34 SER N N 692 117.274 117.274 115.836 1.438 18182 12398 1 20 . 1 1 34 34 SER HA H 692 4.089 4.089 4.431 -0.342 18182 12399 1 20 . 1 1 34 34 SER C C 692 175.336 175.336 175.412 -0.076 18182 12400 1 20 . 1 1 34 34 SER CA C 692 60.531 60.531 60.092 0.439 18182 12401 1 20 . 1 1 34 34 SER CB C 692 63.308 63.308 62.962 0.346 18182 12402 1 20 . 1 1 34 34 SER H H 692 8.997 8.997 8.557 0.440 18182 12403 1 20 . 1 1 35 35 GLY N N 693 113.573 113.573 116.375 -2.802 18182 12404 1 20 . 1 1 35 35 GLY C C 693 174.808 174.808 174.366 0.442 18182 12405 1 20 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.073 -0.214 18182 12406 1 20 . 1 1 35 35 GLY H H 693 9.926 9.926 8.479 1.447 18182 12407 1 20 . 1 1 36 36 THR N N 694 121.076 121.076 121.487 -0.411 18182 12408 1 20 . 1 1 36 36 THR HA H 694 5.962 5.962 4.924 1.038 18182 12409 1 20 . 1 1 36 36 THR C C 694 173.297 173.297 173.975 -0.678 18182 12410 1 20 . 1 1 36 36 THR CA C 694 63.612 63.612 65.143 -1.531 18182 12411 1 20 . 1 1 36 36 THR CB C 694 68.317 68.317 68.491 -0.174 18182 12412 1 20 . 1 1 36 36 THR H H 694 8.291 8.291 7.565 0.726 18182 12413 1 20 . 1 1 37 37 TYR N N 695 123.616 123.616 124.756 -1.140 18182 12414 1 20 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.819 0.222 18182 12415 1 20 . 1 1 37 37 TYR C C 695 171.831 171.831 173.311 -1.480 18182 12416 1 20 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.592 0.713 18182 12417 1 20 . 1 1 37 37 TYR CB C 695 44.359 44.359 42.009 2.350 18182 12418 1 20 . 1 1 37 37 TYR H H 695 8.805 8.805 9.111 -0.306 18182 12419 1 20 . 1 1 38 38 LEU N N 696 115.449 115.449 115.380 0.069 18182 12420 1 20 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.286 -0.127 18182 12421 1 20 . 1 1 38 38 LEU C C 696 174.331 174.331 174.767 -0.436 18182 12422 1 20 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.863 -1.006 18182 12423 1 20 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.020 0.873 18182 12424 1 20 . 1 1 38 38 LEU H H 696 9.105 9.105 8.648 0.457 18182 12425 1 20 . 1 1 39 39 ILE N N 697 121.911 121.911 121.276 0.635 18182 12426 1 20 . 1 1 39 39 ILE HA H 697 5.419 5.419 5.015 0.404 18182 12427 1 20 . 1 1 39 39 ILE C C 697 173.476 173.476 175.517 -2.041 18182 12428 1 20 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.273 -0.348 18182 12429 1 20 . 1 1 39 39 ILE CB C 697 38.929 38.929 39.449 -0.520 18182 12430 1 20 . 1 1 39 39 ILE H H 697 9.313 9.313 8.679 0.634 18182 12431 1 20 . 1 1 40 40 ARG N N 698 122.878 122.878 126.185 -3.307 18182 12432 1 20 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.190 0.102 18182 12433 1 20 . 1 1 40 40 ARG C C 698 174.308 174.308 175.027 -0.719 18182 12434 1 20 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.981 -2.237 18182 12435 1 20 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.005 0.512 18182 12436 1 20 . 1 1 40 40 ARG H H 698 9.185 9.185 9.182 0.003 18182 12437 1 20 . 1 1 41 41 GLU N N 699 122.405 122.405 119.165 3.240 18182 12438 1 20 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.527 0.370 18182 12439 1 20 . 1 1 41 41 GLU C C 699 176.242 176.242 175.460 0.782 18182 12440 1 20 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.423 0.103 18182 12441 1 20 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.776 -0.643 18182 12442 1 20 . 1 1 41 41 GLU H H 699 8.634 8.634 8.225 0.409 18182 12443 1 20 . 1 1 42 42 ARG N N 700 125.045 125.045 123.959 1.086 18182 12444 1 20 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.623 0.071 18182 12445 1 20 . 1 1 42 42 ARG CB C 700 31.573 31.573 31.688 -0.115 18182 12446 1 20 . 1 1 42 42 ARG H H 700 8.639 8.639 8.236 0.403 18182 12447 1 20 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.207 0.207 18182 12448 1 20 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.510 -0.099 18182 12449 1 20 . 1 1 43 43 PRO CB C 701 30.498 30.498 30.961 -0.463 18182 12450 1 20 . 1 1 44 44 ALA N N 702 122.925 122.925 126.857 -3.932 18182 12451 1 20 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.564 -0.242 18182 12452 1 20 . 1 1 44 44 ALA C C 702 176.610 176.610 176.768 -0.158 18182 12453 1 20 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.312 0.490 18182 12454 1 20 . 1 1 44 44 ALA CB C 702 20.391 20.391 21.065 -0.674 18182 12455 1 20 . 1 1 44 44 ALA H H 702 7.888 7.888 7.611 0.277 18182 12456 1 20 . 1 1 45 45 GLU N N 703 118.799 118.799 120.213 -1.414 18182 12457 1 20 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.268 -0.031 18182 12458 1 20 . 1 1 45 45 GLU C C 703 176.717 176.717 177.560 -0.843 18182 12459 1 20 . 1 1 45 45 GLU CA C 703 56.901 56.901 58.174 -1.273 18182 12460 1 20 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.610 0.476 18182 12461 1 20 . 1 1 45 45 GLU H H 703 7.947 7.947 8.798 -0.851 18182 12462 1 20 . 1 1 46 46 ALA N N 704 120.631 120.631 121.829 -1.198 18182 12463 1 20 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.243 0.172 18182 12464 1 20 . 1 1 46 46 ALA C C 704 178.411 178.411 177.252 1.159 18182 12465 1 20 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.589 0.619 18182 12466 1 20 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.121 0.122 18182 12467 1 20 . 1 1 46 46 ALA H H 704 8.643 8.643 7.905 0.738 18182 12468 1 20 . 1 1 47 47 GLU N N 705 119.341 119.341 117.311 2.030 18182 12469 1 20 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.939 -0.083 18182 12470 1 20 . 1 1 47 47 GLU C C 705 176.013 176.013 175.782 0.231 18182 12471 1 20 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.555 -0.697 18182 12472 1 20 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.303 -3.469 18182 12473 1 20 . 1 1 47 47 GLU H H 705 7.635 7.635 8.180 -0.545 18182 12474 1 20 . 1 1 48 48 ARG N N 706 120.355 120.355 121.237 -0.882 18182 12475 1 20 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.331 -0.366 18182 12476 1 20 . 1 1 48 48 ARG C C 706 175.117 175.117 175.207 -0.090 18182 12477 1 20 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.827 1.328 18182 12478 1 20 . 1 1 48 48 ARG CB C 706 31.691 31.691 32.932 -1.241 18182 12479 1 20 . 1 1 48 48 ARG H H 706 7.971 7.971 7.933 0.038 18182 12480 1 20 . 1 1 49 49 PHE N N 707 112.251 112.251 114.986 -2.735 18182 12481 1 20 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.825 1.080 18182 12482 1 20 . 1 1 49 49 PHE C C 707 173.875 173.875 173.515 0.360 18182 12483 1 20 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.894 -2.085 18182 12484 1 20 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.979 -0.904 18182 12485 1 20 . 1 1 49 49 PHE H H 707 7.857 7.857 7.470 0.387 18182 12486 1 20 . 1 1 50 50 ALA N N 708 118.730 118.730 121.760 -3.030 18182 12487 1 20 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.053 0.401 18182 12488 1 20 . 1 1 50 50 ALA C C 708 176.479 176.479 174.954 1.525 18182 12489 1 20 . 1 1 50 50 ALA CA C 708 50.842 50.842 51.285 -0.443 18182 12490 1 20 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.822 -0.104 18182 12491 1 20 . 1 1 50 50 ALA H H 708 9.205 9.205 8.938 0.267 18182 12492 1 20 . 1 1 51 51 ILE N N 709 120.037 120.037 123.527 -3.490 18182 12493 1 20 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.970 -0.224 18182 12494 1 20 . 1 1 51 51 ILE C C 709 175.120 175.120 175.244 -0.124 18182 12495 1 20 . 1 1 51 51 ILE CA C 709 60.723 60.723 59.927 0.796 18182 12496 1 20 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.762 -0.462 18182 12497 1 20 . 1 1 51 51 ILE H H 709 9.262 9.262 9.162 0.100 18182 12498 1 20 . 1 1 52 52 SER N N 710 125.087 125.087 119.210 5.877 18182 12499 1 20 . 1 1 52 52 SER HA H 710 5.468 5.468 5.249 0.219 18182 12500 1 20 . 1 1 52 52 SER C C 710 172.060 172.060 172.512 -0.452 18182 12501 1 20 . 1 1 52 52 SER CA C 710 57.761 57.761 57.709 0.052 18182 12502 1 20 . 1 1 52 52 SER CB C 710 65.210 65.210 65.939 -0.729 18182 12503 1 20 . 1 1 52 52 SER H H 710 9.205 9.205 8.639 0.566 18182 12504 1 20 . 1 1 53 53 ILE N N 711 121.753 121.753 123.154 -1.401 18182 12505 1 20 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.187 0.008 18182 12506 1 20 . 1 1 53 53 ILE C C 711 173.070 173.070 173.186 -0.116 18182 12507 1 20 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.258 -1.502 18182 12508 1 20 . 1 1 53 53 ILE CB C 711 43.357 43.357 43.097 0.260 18182 12509 1 20 . 1 1 53 53 ILE H H 711 8.989 8.989 8.412 0.577 18182 12510 1 20 . 1 1 54 54 LYS N N 712 128.758 128.758 126.139 2.619 18182 12511 1 20 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.082 -0.295 18182 12512 1 20 . 1 1 54 54 LYS C C 712 174.899 174.899 175.119 -0.220 18182 12513 1 20 . 1 1 54 54 LYS CA C 712 54.367 54.367 55.132 -0.764 18182 12514 1 20 . 1 1 54 54 LYS CB C 712 33.358 33.358 34.143 -0.785 18182 12515 1 20 . 1 1 54 54 LYS H H 712 8.894 8.894 8.291 0.603 18182 12516 1 20 . 1 1 55 55 PHE N N 713 130.369 130.369 126.427 3.942 18182 12517 1 20 . 1 1 55 55 PHE HA H 713 4.947 4.947 5.129 -0.182 18182 12518 1 20 . 1 1 55 55 PHE C C 713 174.238 174.238 174.488 -0.250 18182 12519 1 20 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.020 1.145 18182 12520 1 20 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.647 -0.843 18182 12521 1 20 . 1 1 55 55 PHE H H 713 9.464 9.464 9.179 0.285 18182 12522 1 20 . 1 1 56 56 ASN N N 714 125.719 125.719 126.587 -0.868 18182 12523 1 20 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.143 -0.202 18182 12524 1 20 . 1 1 56 56 ASN C C 714 174.003 174.003 174.527 -0.524 18182 12525 1 20 . 1 1 56 56 ASN CA C 714 55.230 55.230 54.209 1.020 18182 12526 1 20 . 1 1 56 56 ASN CB C 714 36.140 36.140 36.929 -0.789 18182 12527 1 20 . 1 1 56 56 ASN H H 714 8.411 8.411 8.696 -0.285 18182 12528 1 20 . 1 1 57 57 ASP N N 715 117.904 117.904 113.697 4.207 18182 12529 1 20 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.327 0.294 18182 12530 1 20 . 1 1 57 57 ASP C C 715 174.858 174.858 175.153 -0.295 18182 12531 1 20 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.921 -0.739 18182 12532 1 20 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.420 0.466 18182 12533 1 20 . 1 1 57 57 ASP H H 715 8.542 8.542 8.672 -0.130 18182 12534 1 20 . 1 1 58 58 GLU N N 716 118.707 118.707 117.695 1.012 18182 12535 1 20 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.669 0.041 18182 12536 1 20 . 1 1 58 58 GLU C C 716 173.755 173.755 174.293 -0.538 18182 12537 1 20 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.642 -0.595 18182 12538 1 20 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.725 0.561 18182 12539 1 20 . 1 1 58 58 GLU H H 716 7.889 7.889 7.718 0.171 18182 12540 1 20 . 1 1 59 59 VAL N N 717 120.720 120.720 124.879 -4.159 18182 12541 1 20 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.430 -0.000 18182 12542 1 20 . 1 1 59 59 VAL C C 717 175.071 175.071 175.962 -0.891 18182 12543 1 20 . 1 1 59 59 VAL CA C 717 62.139 62.139 61.863 0.276 18182 12544 1 20 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.770 0.301 18182 12545 1 20 . 1 1 59 59 VAL H H 717 8.536 8.536 8.578 -0.042 18182 12546 1 20 . 1 1 60 60 LYS N N 718 126.403 126.403 127.821 -1.418 18182 12547 1 20 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.760 -0.205 18182 12548 1 20 . 1 1 60 60 LYS C C 718 174.578 174.578 175.332 -0.754 18182 12549 1 20 . 1 1 60 60 LYS CA C 718 53.117 53.117 53.980 -0.862 18182 12550 1 20 . 1 1 60 60 LYS CB C 718 34.906 34.906 35.330 -0.424 18182 12551 1 20 . 1 1 60 60 LYS H H 718 8.879 8.879 8.625 0.254 18182 12552 1 20 . 1 1 61 61 HIS N N 719 118.939 118.939 119.845 -0.906 18182 12553 1 20 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.008 0.502 18182 12554 1 20 . 1 1 61 61 HIS C C 719 174.482 174.482 174.781 -0.299 18182 12555 1 20 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.222 0.196 18182 12556 1 20 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.108 3.141 18182 12557 1 20 . 1 1 61 61 HIS H H 719 8.846 8.846 8.569 0.277 18182 12558 1 20 . 1 1 62 62 ILE N N 720 124.690 124.690 125.714 -1.024 18182 12559 1 20 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.312 0.196 18182 12560 1 20 . 1 1 62 62 ILE C C 720 176.221 176.221 174.489 1.732 18182 12561 1 20 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.419 -0.136 18182 12562 1 20 . 1 1 62 62 ILE CB C 720 43.022 43.022 40.099 2.923 18182 12563 1 20 . 1 1 62 62 ILE H H 720 9.704 9.704 9.224 0.480 18182 12564 1 20 . 1 1 63 63 LYS N N 721 126.432 126.432 127.782 -1.350 18182 12565 1 20 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.471 -0.336 18182 12566 1 20 . 1 1 63 63 LYS C C 721 174.783 174.783 175.580 -0.797 18182 12567 1 20 . 1 1 63 63 LYS CA C 721 58.478 58.478 55.894 2.584 18182 12568 1 20 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.238 0.615 18182 12569 1 20 . 1 1 63 63 LYS H H 721 9.100 9.100 8.590 0.510 18182 12570 1 20 . 1 1 64 64 VAL N N 722 123.306 123.306 121.876 1.430 18182 12571 1 20 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.117 0.141 18182 12572 1 20 . 1 1 64 64 VAL C C 722 174.284 174.284 173.991 0.293 18182 12573 1 20 . 1 1 64 64 VAL CA C 722 61.293 61.293 62.185 -0.892 18182 12574 1 20 . 1 1 64 64 VAL CB C 722 32.546 32.546 33.357 -0.811 18182 12575 1 20 . 1 1 64 64 VAL H H 722 8.441 8.441 8.443 -0.002 18182 12576 1 20 . 1 1 65 65 VAL N N 723 126.508 126.508 125.583 0.925 18182 12577 1 20 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.536 -0.254 18182 12578 1 20 . 1 1 65 65 VAL C C 723 174.127 174.127 174.599 -0.472 18182 12579 1 20 . 1 1 65 65 VAL CA C 723 61.600 61.600 61.111 0.489 18182 12580 1 20 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.395 0.322 18182 12581 1 20 . 1 1 65 65 VAL H H 723 8.462 8.462 8.046 0.416 18182 12582 1 20 . 1 1 66 66 GLU N N 724 126.016 126.016 129.848 -3.832 18182 12583 1 20 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.659 0.567 18182 12584 1 20 . 1 1 66 66 GLU C C 724 175.409 175.409 175.115 0.294 18182 12585 1 20 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.721 -0.970 18182 12586 1 20 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.151 1.306 18182 12587 1 20 . 1 1 66 66 GLU H H 724 8.619 8.619 8.252 0.367 18182 12588 1 20 . 1 1 67 67 LYS N N 725 125.813 125.813 124.468 1.345 18182 12589 1 20 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.522 -0.025 18182 12590 1 20 . 1 1 67 67 LYS C C 725 175.635 175.635 175.342 0.293 18182 12591 1 20 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.310 1.113 18182 12592 1 20 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.480 -0.182 18182 12593 1 20 . 1 1 67 67 LYS H H 725 8.740 8.740 8.577 0.163 18182 12594 1 20 . 1 1 68 68 ASP N N 726 126.958 126.958 123.260 3.698 18182 12595 1 20 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.361 -0.130 18182 12596 1 20 . 1 1 68 68 ASP C C 726 174.341 174.341 175.064 -0.723 18182 12597 1 20 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.617 0.636 18182 12598 1 20 . 1 1 68 68 ASP CB C 726 39.499 39.499 38.993 0.506 18182 12599 1 20 . 1 1 68 68 ASP H H 726 9.499 9.499 8.879 0.620 18182 12600 1 20 . 1 1 69 69 ASN N N 727 110.214 110.214 113.148 -2.934 18182 12601 1 20 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.077 0.188 18182 12602 1 20 . 1 1 69 69 ASN C C 727 173.779 173.779 173.142 0.637 18182 12603 1 20 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.405 0.284 18182 12604 1 20 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.334 0.154 18182 12605 1 20 . 1 1 69 69 ASN H H 727 8.348 8.348 8.592 -0.244 18182 12606 1 20 . 1 1 70 70 TRP N N 728 119.007 119.007 115.146 3.861 18182 12607 1 20 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.058 0.332 18182 12608 1 20 . 1 1 70 70 TRP C C 728 174.779 174.779 175.013 -0.234 18182 12609 1 20 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.488 1.338 18182 12610 1 20 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.263 1.292 18182 12611 1 20 . 1 1 70 70 TRP H H 728 8.063 8.063 7.431 0.632 18182 12612 1 20 . 1 1 71 71 ILE N N 729 122.016 122.016 122.459 -0.443 18182 12613 1 20 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.317 1.283 18182 12614 1 20 . 1 1 71 71 ILE C C 729 175.184 175.184 173.912 1.272 18182 12615 1 20 . 1 1 71 71 ILE CA C 729 58.854 58.854 60.516 -1.662 18182 12616 1 20 . 1 1 71 71 ILE CB C 729 41.596 41.596 39.929 1.667 18182 12617 1 20 . 1 1 71 71 ILE H H 729 9.378 9.378 9.181 0.197 18182 12618 1 20 . 1 1 72 72 HIS N N 730 121.306 121.306 123.661 -2.355 18182 12619 1 20 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.118 0.100 18182 12620 1 20 . 1 1 72 72 HIS C C 730 173.714 173.714 174.346 -0.632 18182 12621 1 20 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.781 0.861 18182 12622 1 20 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.495 1.010 18182 12623 1 20 . 1 1 72 72 HIS H H 730 9.048 9.048 7.781 1.267 18182 12624 1 20 . 1 1 73 73 ILE N N 731 112.643 112.643 115.009 -2.366 18182 12625 1 20 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.321 0.616 18182 12626 1 20 . 1 1 73 73 ILE C C 731 175.442 175.442 175.702 -0.260 18182 12627 1 20 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.232 0.446 18182 12628 1 20 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.051 0.355 18182 12629 1 20 . 1 1 73 73 ILE H H 731 9.499 9.499 8.534 0.965 18182 12630 1 20 . 1 1 74 74 THR N N 732 115.752 115.752 112.075 3.677 18182 12631 1 20 . 1 1 74 74 THR HA H 732 4.812 4.812 4.460 0.352 18182 12632 1 20 . 1 1 74 74 THR C C 732 173.575 173.575 174.250 -0.675 18182 12633 1 20 . 1 1 74 74 THR CA C 732 58.650 58.650 59.697 -1.047 18182 12634 1 20 . 1 1 74 74 THR CB C 732 70.177 70.177 71.347 -1.170 18182 12635 1 20 . 1 1 74 74 THR H H 732 8.364 8.364 7.724 0.640 18182 12636 1 20 . 1 1 75 75 GLU N N 733 124.910 124.910 119.096 5.814 18182 12637 1 20 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.413 -1.440 18182 12638 1 20 . 1 1 75 75 GLU C C 733 175.609 175.609 175.441 0.168 18182 12639 1 20 . 1 1 75 75 GLU CA C 733 58.662 58.662 55.871 2.791 18182 12640 1 20 . 1 1 75 75 GLU CB C 733 28.963 28.963 29.112 -0.149 18182 12641 1 20 . 1 1 75 75 GLU H H 733 8.754 8.754 8.745 0.009 18182 12642 1 20 . 1 1 76 76 ALA N N 734 117.847 117.847 121.137 -3.290 18182 12643 1 20 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.462 -0.522 18182 12644 1 20 . 1 1 76 76 ALA C C 734 177.033 177.033 176.932 0.101 18182 12645 1 20 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.430 0.744 18182 12646 1 20 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.526 -1.033 18182 12647 1 20 . 1 1 76 76 ALA H H 734 7.538 7.538 7.360 0.178 18182 12648 1 20 . 1 1 77 77 LYS N N 735 119.518 119.518 121.115 -1.597 18182 12649 1 20 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.082 0.029 18182 12650 1 20 . 1 1 77 77 LYS C C 735 171.953 171.953 175.164 -3.211 18182 12651 1 20 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.891 -1.192 18182 12652 1 20 . 1 1 77 77 LYS CB C 735 33.285 33.285 32.924 0.361 18182 12653 1 20 . 1 1 77 77 LYS H H 735 7.326 7.326 7.683 -0.357 18182 12654 1 20 . 1 1 78 78 LYS N N 736 123.200 123.200 119.793 3.407 18182 12655 1 20 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.488 0.243 18182 12656 1 20 . 1 1 78 78 LYS C C 736 175.123 175.123 174.831 0.292 18182 12657 1 20 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.718 0.392 18182 12658 1 20 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.955 0.015 18182 12659 1 20 . 1 1 78 78 LYS H H 736 7.893 7.893 7.725 0.168 18182 12660 1 20 . 1 1 79 79 PHE N N 737 117.916 117.916 120.534 -2.618 18182 12661 1 20 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.659 0.335 18182 12662 1 20 . 1 1 79 79 PHE C C 737 175.595 175.595 176.069 -0.474 18182 12663 1 20 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.909 0.032 18182 12664 1 20 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.910 0.503 18182 12665 1 20 . 1 1 79 79 PHE H H 737 9.121 9.121 9.072 0.049 18182 12666 1 20 . 1 1 80 80 ASP N N 738 119.341 119.341 119.495 -0.154 18182 12667 1 20 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.063 -0.314 18182 12668 1 20 . 1 1 80 80 ASP C C 738 176.035 176.035 175.939 0.096 18182 12669 1 20 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.897 -0.185 18182 12670 1 20 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.785 -0.076 18182 12671 1 20 . 1 1 80 80 ASP H H 738 9.377 9.377 9.109 0.268 18182 12672 1 20 . 1 1 81 81 SER N N 739 108.518 108.518 109.757 -1.239 18182 12673 1 20 . 1 1 81 81 SER HA H 739 4.694 4.694 4.617 0.077 18182 12674 1 20 . 1 1 81 81 SER C C 739 173.791 173.791 174.574 -0.783 18182 12675 1 20 . 1 1 81 81 SER CA C 739 57.049 57.049 57.300 -0.251 18182 12676 1 20 . 1 1 81 81 SER CB C 739 66.839 66.839 65.666 1.173 18182 12677 1 20 . 1 1 81 81 SER H H 739 7.447 7.447 7.490 -0.043 18182 12678 1 20 . 1 1 82 82 LEU N N 740 122.626 122.626 123.632 -1.006 18182 12679 1 20 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.163 -0.352 18182 12680 1 20 . 1 1 82 82 LEU C C 740 177.172 177.172 177.894 -0.722 18182 12681 1 20 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.129 -0.660 18182 12682 1 20 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.015 -1.196 18182 12683 1 20 . 1 1 82 82 LEU H H 740 8.969 8.969 8.592 0.377 18182 12684 1 20 . 1 1 83 83 LEU N N 741 116.575 116.575 119.069 -2.494 18182 12685 1 20 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.907 -0.070 18182 12686 1 20 . 1 1 83 83 LEU C C 741 177.492 177.492 178.478 -0.986 18182 12687 1 20 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.673 -0.409 18182 12688 1 20 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.692 0.237 18182 12689 1 20 . 1 1 83 83 LEU H H 741 7.770 7.770 8.157 -0.387 18182 12690 1 20 . 1 1 84 84 GLU N N 742 116.865 116.865 119.052 -2.187 18182 12691 1 20 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.087 -0.169 18182 12692 1 20 . 1 1 84 84 GLU C C 742 178.252 178.252 178.996 -0.744 18182 12693 1 20 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.608 -0.217 18182 12694 1 20 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.493 0.966 18182 12695 1 20 . 1 1 84 84 GLU H H 742 7.585 7.585 8.095 -0.510 18182 12696 1 20 . 1 1 85 85 LEU N N 743 122.164 122.164 120.556 1.608 18182 12697 1 20 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.506 -0.478 18182 12698 1 20 . 1 1 85 85 LEU C C 743 177.335 177.335 178.210 -0.875 18182 12699 1 20 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.825 0.946 18182 12700 1 20 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.648 0.179 18182 12701 1 20 . 1 1 85 85 LEU H H 743 7.109 7.109 7.368 -0.259 18182 12702 1 20 . 1 1 86 86 VAL N N 744 119.760 119.760 118.440 1.320 18182 12703 1 20 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.374 -0.521 18182 12704 1 20 . 1 1 86 86 VAL C C 744 177.675 177.675 178.558 -0.883 18182 12705 1 20 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.228 0.885 18182 12706 1 20 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.521 0.590 18182 12707 1 20 . 1 1 86 86 VAL H H 744 8.113 8.113 8.350 -0.237 18182 12708 1 20 . 1 1 87 87 GLU N N 745 116.227 116.227 119.596 -3.369 18182 12709 1 20 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.838 -0.076 18182 12710 1 20 . 1 1 87 87 GLU C C 745 179.530 179.530 179.039 0.491 18182 12711 1 20 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.547 -0.109 18182 12712 1 20 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.725 -0.573 18182 12713 1 20 . 1 1 87 87 GLU H H 745 8.182 8.182 8.463 -0.281 18182 12714 1 20 . 1 1 88 88 TYR N N 746 120.102 120.102 120.274 -0.172 18182 12715 1 20 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.177 -0.030 18182 12716 1 20 . 1 1 88 88 TYR C C 746 179.970 179.970 178.290 1.680 18182 12717 1 20 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.184 0.547 18182 12718 1 20 . 1 1 88 88 TYR CB C 746 38.888 38.888 39.020 -0.132 18182 12719 1 20 . 1 1 88 88 TYR H H 746 7.795 7.795 8.191 -0.396 18182 12720 1 20 . 1 1 89 89 TYR N N 747 118.508 118.508 116.332 2.176 18182 12721 1 20 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.610 0.491 18182 12722 1 20 . 1 1 89 89 TYR C C 747 175.885 175.885 178.000 -2.115 18182 12723 1 20 . 1 1 89 89 TYR CA C 747 61.177 61.177 60.721 0.456 18182 12724 1 20 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.805 -0.762 18182 12725 1 20 . 1 1 89 89 TYR H H 747 7.798 7.798 8.425 -0.627 18182 12726 1 20 . 1 1 90 90 GLN N N 748 118.741 118.741 118.790 -0.049 18182 12727 1 20 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.817 0.603 18182 12728 1 20 . 1 1 90 90 GLN C C 748 177.767 177.767 177.266 0.501 18182 12729 1 20 . 1 1 90 90 GLN CA C 748 57.871 57.871 59.105 -1.234 18182 12730 1 20 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.647 0.026 18182 12731 1 20 . 1 1 90 90 GLN H H 748 7.925 7.925 7.902 0.023 18182 12732 1 20 . 1 1 91 91 CYS N N 749 111.312 111.312 113.435 -2.123 18182 12733 1 20 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.269 0.372 18182 12734 1 20 . 1 1 91 91 CYS C C 749 173.010 173.010 175.006 -1.996 18182 12735 1 20 . 1 1 91 91 CYS CA C 749 57.535 57.535 59.078 -1.543 18182 12736 1 20 . 1 1 91 91 CYS CB C 749 29.179 29.179 28.525 0.654 18182 12737 1 20 . 1 1 91 91 CYS H H 749 7.178 7.178 7.461 -0.283 18182 12738 1 20 . 1 1 92 92 HIS N N 750 120.386 120.386 119.041 1.345 18182 12739 1 20 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.528 -0.160 18182 12740 1 20 . 1 1 92 92 HIS C C 750 171.815 171.815 174.487 -2.672 18182 12741 1 20 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.824 -0.656 18182 12742 1 20 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.284 -0.978 18182 12743 1 20 . 1 1 92 92 HIS H H 750 7.540 7.540 7.378 0.162 18182 12744 1 20 . 1 1 93 93 SER N N 751 113.259 113.259 117.188 -3.929 18182 12745 1 20 . 1 1 93 93 SER HA H 751 3.812 3.812 4.435 -0.623 18182 12746 1 20 . 1 1 93 93 SER C C 751 176.644 176.644 175.694 0.950 18182 12747 1 20 . 1 1 93 93 SER CA C 751 58.040 58.040 57.675 0.365 18182 12748 1 20 . 1 1 93 93 SER CB C 751 62.954 62.954 64.116 -1.162 18182 12749 1 20 . 1 1 93 93 SER H H 751 8.397 8.397 8.631 -0.234 18182 12750 1 20 . 1 1 94 94 LEU N N 752 127.166 127.166 123.307 3.859 18182 12751 1 20 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.649 -0.509 18182 12752 1 20 . 1 1 94 94 LEU C C 752 177.462 177.462 177.246 0.216 18182 12753 1 20 . 1 1 94 94 LEU CA C 752 58.300 58.300 54.978 3.322 18182 12754 1 20 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.262 1.070 18182 12755 1 20 . 1 1 94 94 LEU H H 752 8.580 8.580 8.400 0.180 18182 12756 1 20 . 1 1 95 95 LYS N N 753 122.119 122.119 119.942 2.177 18182 12757 1 20 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.569 -0.129 18182 12758 1 20 . 1 1 95 95 LYS C C 753 176.253 176.253 178.453 -2.200 18182 12759 1 20 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.695 -1.466 18182 12760 1 20 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.794 0.550 18182 12761 1 20 . 1 1 95 95 LYS H H 753 8.322 8.322 7.553 0.769 18182 12762 1 20 . 1 1 96 96 GLU N N 754 115.310 115.310 119.090 -3.780 18182 12763 1 20 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.055 0.082 18182 12764 1 20 . 1 1 96 96 GLU C C 754 176.704 176.704 177.751 -1.047 18182 12765 1 20 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.700 -0.211 18182 12766 1 20 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.432 0.245 18182 12767 1 20 . 1 1 96 96 GLU H H 754 7.197 7.197 8.202 -1.005 18182 12768 1 20 . 1 1 97 97 SER N N 755 113.390 113.390 114.175 -0.785 18182 12769 1 20 . 1 1 97 97 SER HA H 755 4.583 4.583 4.284 0.299 18182 12770 1 20 . 1 1 97 97 SER C C 755 171.185 171.185 174.609 -3.424 18182 12771 1 20 . 1 1 97 97 SER CA C 755 59.569 59.569 60.214 -0.645 18182 12772 1 20 . 1 1 97 97 SER CB C 755 66.435 66.435 63.772 2.663 18182 12773 1 20 . 1 1 97 97 SER H H 755 7.857 7.857 8.100 -0.243 18182 12774 1 20 . 1 1 98 98 PHE N N 756 121.328 121.328 121.146 0.182 18182 12775 1 20 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.778 -0.013 18182 12776 1 20 . 1 1 98 98 PHE C C 756 175.774 175.774 175.892 -0.118 18182 12777 1 20 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.079 0.792 18182 12778 1 20 . 1 1 98 98 PHE CB C 756 39.711 39.711 39.096 0.615 18182 12779 1 20 . 1 1 98 98 PHE H H 756 8.409 8.409 8.330 0.079 18182 12780 1 20 . 1 1 99 99 LYS N N 757 121.656 121.656 125.437 -3.781 18182 12781 1 20 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.173 -0.060 18182 12782 1 20 . 1 1 99 99 LYS C C 757 177.188 177.188 177.697 -0.509 18182 12783 1 20 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.553 0.183 18182 12784 1 20 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.366 -0.010 18182 12785 1 20 . 1 1 99 99 LYS H H 757 8.602 8.602 8.830 -0.228 18182 12786 1 20 . 1 1 100 100 GLN N N 758 115.783 115.783 117.179 -1.396 18182 12787 1 20 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.226 0.157 18182 12788 1 20 . 1 1 100 100 GLN C C 758 175.849 175.849 176.317 -0.468 18182 12789 1 20 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.876 -2.044 18182 12790 1 20 . 1 1 100 100 GLN CB C 758 28.317 28.317 28.937 -0.620 18182 12791 1 20 . 1 1 100 100 GLN H H 758 9.139 9.139 8.515 0.624 18182 12792 1 20 . 1 1 101 101 LEU N N 759 124.876 124.876 119.365 5.511 18182 12793 1 20 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.566 -0.874 18182 12794 1 20 . 1 1 101 101 LEU C C 759 173.219 173.219 175.634 -2.415 18182 12795 1 20 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.925 -2.477 18182 12796 1 20 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.615 -1.627 18182 12797 1 20 . 1 1 101 101 LEU H H 759 7.924 7.924 7.671 0.253 18182 12798 1 20 . 1 1 102 102 ASP N N 760 119.263 119.263 118.142 1.121 18182 12799 1 20 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.740 -0.173 18182 12800 1 20 . 1 1 102 102 ASP C C 760 173.570 173.570 174.312 -0.742 18182 12801 1 20 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.779 -1.904 18182 12802 1 20 . 1 1 102 102 ASP CB C 760 39.029 39.029 42.380 -3.351 18182 12803 1 20 . 1 1 102 102 ASP H H 760 6.564 6.564 7.735 -1.171 18182 12804 1 20 . 1 1 103 103 THR N N 761 117.311 117.311 114.194 3.117 18182 12805 1 20 . 1 1 103 103 THR HA H 761 4.701 4.701 4.564 0.137 18182 12806 1 20 . 1 1 103 103 THR C C 761 172.169 172.169 172.942 -0.773 18182 12807 1 20 . 1 1 103 103 THR CA C 761 60.491 60.491 59.534 0.957 18182 12808 1 20 . 1 1 103 103 THR CB C 761 69.358 69.358 70.465 -1.107 18182 12809 1 20 . 1 1 103 103 THR H H 761 7.699 7.699 7.273 0.426 18182 12810 1 20 . 1 1 104 104 THR N N 762 114.211 114.211 113.616 0.595 18182 12811 1 20 . 1 1 104 104 THR HA H 762 4.603 4.603 4.474 0.129 18182 12812 1 20 . 1 1 104 104 THR C C 762 175.647 175.647 173.701 1.946 18182 12813 1 20 . 1 1 104 104 THR CA C 762 60.899 60.899 59.551 1.348 18182 12814 1 20 . 1 1 104 104 THR CB C 762 70.981 70.981 71.871 -0.890 18182 12815 1 20 . 1 1 104 104 THR H H 762 7.300 7.300 7.907 -0.607 18182 12816 1 20 . 1 1 105 105 LEU N N 763 117.640 117.640 121.645 -4.005 18182 12817 1 20 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.854 -0.331 18182 12818 1 20 . 1 1 105 105 LEU C C 763 174.500 174.500 176.276 -1.776 18182 12819 1 20 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.817 -0.662 18182 12820 1 20 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.707 -3.960 18182 12821 1 20 . 1 1 105 105 LEU H H 763 8.113 8.113 8.505 -0.392 18182 12822 1 20 . 1 1 106 106 LYS N N 764 127.345 127.345 125.149 2.196 18182 12823 1 20 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.092 -0.081 18182 12824 1 20 . 1 1 106 106 LYS C C 764 176.781 176.781 176.362 0.419 18182 12825 1 20 . 1 1 106 106 LYS CA C 764 59.888 59.888 57.254 2.634 18182 12826 1 20 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.388 0.835 18182 12827 1 20 . 1 1 106 106 LYS H H 764 7.181 7.181 7.881 -0.700 18182 12828 1 20 . 1 1 107 107 TYR N N 765 115.756 115.756 116.519 -0.763 18182 12829 1 20 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.952 0.569 18182 12830 1 20 . 1 1 107 107 TYR C C 765 172.106 172.106 172.743 -0.637 18182 12831 1 20 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.231 -2.610 18182 12832 1 20 . 1 1 107 107 TYR CB C 765 40.518 40.518 39.240 1.278 18182 12833 1 20 . 1 1 107 107 TYR H H 765 7.877 7.877 7.635 0.242 18182 12834 1 20 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.437 -0.764 18182 12835 1 20 . 1 1 108 108 PRO C C 766 180.696 180.696 176.344 4.352 18182 12836 1 20 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.860 0.751 18182 12837 1 20 . 1 1 109 109 TYR N N 767 122.570 122.570 113.803 8.767 18182 12838 1 20 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.382 -0.565 18182 12839 1 20 . 1 1 109 109 TYR C C 767 174.769 174.769 177.727 -2.958 18182 12840 1 20 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.513 1.670 18182 12841 1 20 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.896 -0.429 18182 12842 1 20 . 1 1 109 109 TYR H H 767 8.341 8.341 8.128 0.213 18182 12843 1 20 . 1 1 110 110 LYS N N 768 118.398 118.398 120.122 -1.724 18182 12844 1 20 . 1 1 110 110 LYS HA H 768 3.942 3.942 3.902 0.040 18182 12845 1 20 . 1 1 110 110 LYS C C 768 176.453 176.453 175.782 0.671 18182 12846 1 20 . 1 1 110 110 LYS CA C 768 56.901 56.901 58.493 -1.592 18182 12847 1 20 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.304 0.277 18182 12848 1 20 . 1 1 110 110 LYS H H 768 6.790 6.790 6.852 -0.062 18182 12849 1 20 . 1 1 111 111 SER N N 769 114.260 114.260 111.292 2.968 18182 12850 1 20 . 1 1 111 111 SER HA H 769 4.384 4.384 4.172 0.212 18182 12851 1 20 . 1 1 111 111 SER C C 769 174.124 174.124 173.722 0.402 18182 12852 1 20 . 1 1 111 111 SER CA C 769 58.802 58.802 58.905 -0.103 18182 12853 1 20 . 1 1 111 111 SER CB C 769 64.206 64.206 63.175 1.031 18182 12854 1 20 . 1 1 111 111 SER H H 769 7.769 7.769 7.997 -0.228 18182 12855 1 20 . 1 1 112 112 ARG N N 770 122.485 122.485 123.857 -1.372 18182 12856 1 20 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.567 -0.189 18182 12857 1 20 . 1 1 112 112 ARG C C 770 175.139 175.139 176.057 -0.918 18182 12858 1 20 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.197 0.431 18182 12859 1 20 . 1 1 112 112 ARG CB C 770 30.935 30.935 31.409 -0.474 18182 12860 1 20 . 1 1 112 112 ARG H H 770 8.109 8.109 8.521 -0.412 18182 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 105 2.771 0.022 2.784 18182 2 1 1 "Average Difference" HA 113 0.374 0.014 0.376 18182 3 1 1 "Average Difference" C 108 1.144 0.215 1.129 18182 4 1 1 "Average Difference" CA 109 1.148 -0.120 1.147 18182 5 1 1 "Average Difference" CB 107 1.273 -0.016 1.279 18182 6 1 1 "Average Difference" HN 105 0.491 -0.058 0.490 18182 7 1 2 "Average Difference" N 105 2.708 -0.110 2.719 18182 8 1 2 "Average Difference" HA 113 0.356 -0.004 0.357 18182 9 1 2 "Average Difference" C 108 1.158 0.184 1.148 18182 10 1 2 "Average Difference" CA 109 1.104 -0.126 1.102 18182 11 1 2 "Average Difference" CB 107 1.277 -0.076 1.281 18182 12 1 2 "Average Difference" HN 105 0.472 -0.071 0.469 18182 13 1 3 "Average Difference" N 105 2.747 -0.182 2.754 18182 14 1 3 "Average Difference" HA 113 0.385 0.013 0.386 18182 15 1 3 "Average Difference" C 108 1.233 0.205 1.221 18182 16 1 3 "Average Difference" CA 109 1.122 -0.037 1.126 18182 17 1 3 "Average Difference" CB 107 1.134 -0.009 1.140 18182 18 1 3 "Average Difference" HN 105 0.536 -0.027 0.538 18182 19 1 4 "Average Difference" N 105 2.773 0.257 2.775 18182 20 1 4 "Average Difference" HA 113 0.366 0.021 0.367 18182 21 1 4 "Average Difference" C 108 1.186 0.305 1.151 18182 22 1 4 "Average Difference" CA 109 1.160 -0.017 1.166 18182 23 1 4 "Average Difference" CB 107 1.293 -0.003 1.299 18182 24 1 4 "Average Difference" HN 105 0.519 -0.071 0.517 18182 25 1 5 "Average Difference" N 105 2.694 -0.035 2.707 18182 26 1 5 "Average Difference" HA 113 0.388 0.011 0.390 18182 27 1 5 "Average Difference" C 108 1.206 0.169 1.199 18182 28 1 5 "Average Difference" CA 109 1.243 -0.116 1.243 18182 29 1 5 "Average Difference" CB 107 1.340 0.024 1.346 18182 30 1 5 "Average Difference" HN 105 0.569 0.006 0.572 18182 31 1 6 "Average Difference" N 105 2.776 0.192 2.782 18182 32 1 6 "Average Difference" HA 113 0.358 0.014 0.359 18182 33 1 6 "Average Difference" C 108 1.204 0.221 1.189 18182 34 1 6 "Average Difference" CA 109 1.277 -0.133 1.276 18182 35 1 6 "Average Difference" CB 107 1.433 -0.120 1.435 18182 36 1 6 "Average Difference" HN 105 0.527 -0.068 0.525 18182 37 1 7 "Average Difference" N 105 2.819 0.288 2.817 18182 38 1 7 "Average Difference" HA 113 0.355 0.020 0.356 18182 39 1 7 "Average Difference" C 108 1.204 0.236 1.186 18182 40 1 7 "Average Difference" CA 109 1.192 -0.073 1.195 18182 41 1 7 "Average Difference" CB 107 1.252 -0.035 1.257 18182 42 1 7 "Average Difference" HN 105 0.499 -0.067 0.497 18182 43 1 8 "Average Difference" N 105 2.852 0.322 2.847 18182 44 1 8 "Average Difference" HA 113 0.386 0.012 0.388 18182 45 1 8 "Average Difference" C 108 1.223 0.249 1.203 18182 46 1 8 "Average Difference" CA 109 1.169 -0.095 1.171 18182 47 1 8 "Average Difference" CB 107 1.288 0.008 1.294 18182 48 1 8 "Average Difference" HN 105 0.510 -0.041 0.511 18182 49 1 9 "Average Difference" N 105 2.763 -0.017 2.777 18182 50 1 9 "Average Difference" HA 113 0.383 -0.010 0.385 18182 51 1 9 "Average Difference" C 108 1.156 0.186 1.146 18182 52 1 9 "Average Difference" CA 109 1.198 -0.000 1.204 18182 53 1 9 "Average Difference" CB 107 1.333 -0.010 1.339 18182 54 1 9 "Average Difference" HN 105 0.523 -0.051 0.523 18182 55 1 10 "Average Difference" N 105 2.573 0.010 2.585 18182 56 1 10 "Average Difference" HA 113 0.347 0.017 0.348 18182 57 1 10 "Average Difference" C 108 1.199 0.236 1.181 18182 58 1 10 "Average Difference" CA 109 1.071 -0.037 1.075 18182 59 1 10 "Average Difference" CB 107 1.176 0.032 1.181 18182 60 1 10 "Average Difference" HN 105 0.471 -0.063 0.469 18182 61 1 11 "Average Difference" N 105 2.575 -0.166 2.582 18182 62 1 11 "Average Difference" HA 113 0.381 0.024 0.382 18182 63 1 11 "Average Difference" C 108 1.201 0.162 1.196 18182 64 1 11 "Average Difference" CA 109 1.114 -0.080 1.116 18182 65 1 11 "Average Difference" CB 107 1.127 0.051 1.131 18182 66 1 11 "Average Difference" HN 105 0.493 -0.040 0.493 18182 67 1 12 "Average Difference" N 105 2.742 0.017 2.755 18182 68 1 12 "Average Difference" HA 113 0.377 0.005 0.378 18182 69 1 12 "Average Difference" C 108 1.244 0.184 1.236 18182 70 1 12 "Average Difference" CA 109 1.093 -0.096 1.094 18182 71 1 12 "Average Difference" CB 107 1.182 -0.000 1.187 18182 72 1 12 "Average Difference" HN 105 0.521 -0.046 0.522 18182 73 1 13 "Average Difference" N 105 2.649 0.038 2.661 18182 74 1 13 "Average Difference" HA 113 0.357 -0.006 0.359 18182 75 1 13 "Average Difference" C 108 1.157 0.184 1.147 18182 76 1 13 "Average Difference" CA 109 1.083 0.027 1.087 18182 77 1 13 "Average Difference" CB 107 1.228 -0.043 1.233 18182 78 1 13 "Average Difference" HN 105 0.573 -0.081 0.570 18182 79 1 14 "Average Difference" N 105 2.561 0.038 2.573 18182 80 1 14 "Average Difference" HA 113 0.388 -0.003 0.389 18182 81 1 14 "Average Difference" C 108 1.226 0.199 1.216 18182 82 1 14 "Average Difference" CA 109 1.148 -0.058 1.152 18182 83 1 14 "Average Difference" CB 107 1.195 -0.035 1.200 18182 84 1 14 "Average Difference" HN 105 0.519 -0.052 0.519 18182 85 1 15 "Average Difference" N 105 2.683 -0.019 2.695 18182 86 1 15 "Average Difference" HA 113 0.369 -0.013 0.370 18182 87 1 15 "Average Difference" C 108 1.184 0.188 1.175 18182 88 1 15 "Average Difference" CA 109 1.165 -0.088 1.167 18182 89 1 15 "Average Difference" CB 107 1.209 -0.064 1.213 18182 90 1 15 "Average Difference" HN 105 0.514 -0.053 0.513 18182 91 1 16 "Average Difference" N 105 2.591 0.296 2.587 18182 92 1 16 "Average Difference" HA 113 0.405 0.016 0.406 18182 93 1 16 "Average Difference" C 108 1.223 0.285 1.194 18182 94 1 16 "Average Difference" CA 109 1.163 -0.049 1.168 18182 95 1 16 "Average Difference" CB 107 1.297 0.031 1.303 18182 96 1 16 "Average Difference" HN 105 0.475 -0.051 0.475 18182 97 1 17 "Average Difference" N 105 2.675 -0.068 2.687 18182 98 1 17 "Average Difference" HA 113 0.365 -0.015 0.366 18182 99 1 17 "Average Difference" C 108 1.146 0.243 1.125 18182 100 1 17 "Average Difference" CA 109 1.134 -0.047 1.139 18182 101 1 17 "Average Difference" CB 107 1.238 -0.068 1.242 18182 102 1 17 "Average Difference" HN 105 0.537 -0.081 0.534 18182 103 1 18 "Average Difference" N 105 2.750 -0.014 2.763 18182 104 1 18 "Average Difference" HA 113 0.357 0.006 0.359 18182 105 1 18 "Average Difference" C 108 1.154 0.190 1.144 18182 106 1 18 "Average Difference" CA 109 1.240 -0.115 1.240 18182 107 1 18 "Average Difference" CB 107 1.210 -0.054 1.215 18182 108 1 18 "Average Difference" HN 105 0.465 -0.079 0.461 18182 109 1 19 "Average Difference" N 105 2.992 -0.263 2.995 18182 110 1 19 "Average Difference" HA 113 0.360 -0.019 0.361 18182 111 1 19 "Average Difference" C 108 1.172 0.315 1.134 18182 112 1 19 "Average Difference" CA 109 1.165 -0.029 1.170 18182 113 1 19 "Average Difference" CB 107 1.245 -0.175 1.239 18182 114 1 19 "Average Difference" HN 105 0.524 -0.132 0.509 18182 115 1 20 "Average Difference" N 105 2.693 0.038 2.706 18182 116 1 20 "Average Difference" HA 113 0.399 0.005 0.400 18182 117 1 20 "Average Difference" C 108 1.222 0.266 1.198 18182 118 1 20 "Average Difference" CA 109 1.197 -0.016 1.202 18182 119 1 20 "Average Difference" CB 107 1.160 -0.040 1.165 18182 120 1 20 "Average Difference" HN 105 0.488 -0.066 0.485 18182 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 18182 _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 2 2 ARG N N 660 123.565 123.565 122.747 0.818 18182 2 1 . 1 1 2 2 ARG HA H 660 4.630 4.630 4.497 0.133 18182 3 1 . 1 1 2 2 ARG C C 660 173.529 173.529 174.252 -0.723 18182 4 1 . 1 1 2 2 ARG CA C 660 53.869 53.869 56.007 -2.138 18182 5 1 . 1 1 2 2 ARG CB C 660 30.428 30.428 30.039 0.389 18182 6 1 . 1 1 2 2 ARG H H 660 8.295 8.295 8.319 -0.024 18182 7 1 . 1 1 3 3 PRO HA H 661 4.672 4.672 4.587 0.085 18182 8 1 . 1 1 4 4 PRO HA H 662 4.412 4.412 4.501 -0.089 18182 9 1 . 1 1 4 4 PRO C C 662 177.096 177.096 176.575 0.521 18182 10 1 . 1 1 4 4 PRO CA C 662 63.296 63.296 63.032 0.264 18182 11 1 . 1 1 4 4 PRO CB C 662 32.022 32.022 32.156 -0.134 18182 12 1 . 1 1 5 5 SER N N 663 116.025 116.025 117.287 -1.262 18182 13 1 . 1 1 5 5 SER HA H 663 4.374 4.374 4.534 -0.161 18182 14 1 . 1 1 5 5 SER C C 663 174.815 174.815 174.396 0.419 18182 15 1 . 1 1 5 5 SER CA C 663 58.797 58.797 58.372 0.425 18182 16 1 . 1 1 5 5 SER CB C 663 64.024 64.024 63.661 0.363 18182 17 1 . 1 1 5 5 SER H H 663 8.406 8.406 8.396 0.010 18182 18 1 . 1 1 6 6 ARG N N 664 122.062 122.062 122.052 0.010 18182 19 1 . 1 1 6 6 ARG HA H 664 4.379 4.379 4.480 -0.101 18182 20 1 . 1 1 6 6 ARG C C 664 175.958 175.958 175.697 0.261 18182 21 1 . 1 1 6 6 ARG CA C 664 56.136 56.136 56.187 -0.051 18182 22 1 . 1 1 6 6 ARG CB C 664 30.712 30.712 30.774 -0.062 18182 23 1 . 1 1 6 6 ARG H H 664 8.371 8.371 8.306 0.065 18182 24 1 . 1 1 7 7 GLU N N 665 122.160 122.160 120.975 1.185 18182 25 1 . 1 1 7 7 GLU HA H 665 4.313 4.313 4.406 -0.093 18182 26 1 . 1 1 7 7 GLU C C 665 175.842 175.842 175.501 0.341 18182 27 1 . 1 1 7 7 GLU CA C 665 56.410 56.410 56.182 0.229 18182 28 1 . 1 1 7 7 GLU CB C 665 29.972 29.972 30.434 -0.462 18182 29 1 . 1 1 7 7 GLU H H 665 8.352 8.352 8.438 -0.086 18182 30 1 . 1 1 8 8 ILE N N 666 123.828 123.828 122.860 0.968 18182 31 1 . 1 1 8 8 ILE HA H 666 3.840 3.840 4.186 -0.346 18182 32 1 . 1 1 8 8 ILE C C 666 174.373 174.373 175.428 -1.055 18182 33 1 . 1 1 8 8 ILE CA C 666 60.927 60.927 60.971 -0.045 18182 34 1 . 1 1 8 8 ILE CB C 666 39.541 39.541 39.002 0.539 18182 35 1 . 1 1 8 8 ILE H H 666 7.938 7.938 8.204 -0.266 18182 36 1 . 1 1 9 9 ASP N N 667 124.338 124.338 128.132 -3.794 18182 37 1 . 1 1 9 9 ASP HA H 667 4.619 4.619 4.673 -0.054 18182 38 1 . 1 1 9 9 ASP C C 667 177.006 177.006 176.412 0.594 18182 39 1 . 1 1 9 9 ASP CA C 667 52.052 52.052 53.679 -1.627 18182 40 1 . 1 1 9 9 ASP CB C 667 40.364 40.364 40.408 -0.044 18182 41 1 . 1 1 9 9 ASP H H 667 8.111 8.111 8.727 -0.616 18182 42 1 . 1 1 10 10 TYR N N 668 125.199 125.199 123.125 2.074 18182 43 1 . 1 1 10 10 TYR HA H 668 4.188 4.188 4.343 -0.155 18182 44 1 . 1 1 10 10 TYR C C 668 175.947 175.947 177.111 -1.163 18182 45 1 . 1 1 10 10 TYR CA C 668 60.683 60.683 60.312 0.371 18182 46 1 . 1 1 10 10 TYR CB C 668 36.236 36.236 37.894 -1.658 18182 47 1 . 1 1 10 10 TYR H H 668 8.495 8.495 8.215 0.280 18182 48 1 . 1 1 11 11 THR N N 669 108.617 108.617 110.991 -2.374 18182 49 1 . 1 1 11 11 THR HA H 669 4.148 4.148 3.450 0.698 18182 50 1 . 1 1 11 11 THR C C 669 175.184 175.184 175.218 -0.034 18182 51 1 . 1 1 11 11 THR CA C 669 65.022 65.022 64.335 0.687 18182 52 1 . 1 1 11 11 THR CB C 669 69.280 69.280 68.046 1.234 18182 53 1 . 1 1 11 11 THR H H 669 8.011 8.011 7.768 0.243 18182 54 1 . 1 1 12 12 ALA N N 670 121.275 121.275 123.091 -1.816 18182 55 1 . 1 1 12 12 ALA HA H 670 4.076 4.076 4.004 0.072 18182 56 1 . 1 1 12 12 ALA C C 670 177.815 177.815 177.637 0.178 18182 57 1 . 1 1 12 12 ALA CA C 670 52.556 52.556 53.076 -0.520 18182 58 1 . 1 1 12 12 ALA CB C 670 18.874 18.874 18.595 0.279 18182 59 1 . 1 1 12 12 ALA H H 670 7.411 7.411 7.233 0.178 18182 60 1 . 1 1 13 13 TYR N N 671 117.883 117.883 117.699 0.184 18182 61 1 . 1 1 13 13 TYR HA H 671 4.301 4.301 4.285 0.016 18182 62 1 . 1 1 13 13 TYR C C 671 176.698 176.698 174.760 1.938 18182 63 1 . 1 1 13 13 TYR CA C 671 56.986 56.986 56.002 0.984 18182 64 1 . 1 1 13 13 TYR CB C 671 36.815 36.815 37.152 -0.337 18182 65 1 . 1 1 13 13 TYR H H 671 7.538 7.538 7.207 0.331 18182 66 1 . 1 1 14 14 PRO HA H 672 4.356 4.356 4.190 0.166 18182 67 1 . 1 1 14 14 PRO C C 672 173.452 173.452 176.472 -3.020 18182 68 1 . 1 1 14 14 PRO CA C 672 64.323 64.323 64.076 0.247 18182 69 1 . 1 1 14 14 PRO CB C 672 31.223 31.223 32.032 -0.809 18182 70 1 . 1 1 15 15 TRP N N 673 110.044 110.044 113.272 -3.228 18182 71 1 . 1 1 15 15 TRP HA H 673 4.792 4.792 4.681 0.111 18182 72 1 . 1 1 15 15 TRP C C 673 175.577 175.577 174.761 0.816 18182 73 1 . 1 1 15 15 TRP CA C 673 53.157 53.157 55.303 -2.146 18182 74 1 . 1 1 15 15 TRP CB C 673 32.373 32.373 28.368 4.005 18182 75 1 . 1 1 15 15 TRP H H 673 6.229 6.229 7.413 -1.184 18182 76 1 . 1 1 16 16 PHE N N 674 123.205 123.205 122.639 0.566 18182 77 1 . 1 1 16 16 PHE HA H 674 5.171 5.171 4.912 0.259 18182 78 1 . 1 1 16 16 PHE C C 674 174.832 174.832 173.980 0.853 18182 79 1 . 1 1 16 16 PHE CA C 674 59.872 59.872 57.095 2.777 18182 80 1 . 1 1 16 16 PHE CB C 674 40.208 40.208 40.529 -0.321 18182 81 1 . 1 1 16 16 PHE H H 674 7.625 7.625 7.507 0.118 18182 82 1 . 1 1 17 17 ALA N N 675 130.669 130.669 130.093 0.576 18182 83 1 . 1 1 17 17 ALA HA H 675 4.948 4.948 4.939 0.009 18182 84 1 . 1 1 17 17 ALA C C 675 177.266 177.266 176.263 1.003 18182 85 1 . 1 1 17 17 ALA CA C 675 51.268 51.268 50.322 0.946 18182 86 1 . 1 1 17 17 ALA CB C 675 22.428 22.428 21.631 0.797 18182 87 1 . 1 1 17 17 ALA H H 675 9.097 9.097 8.431 0.666 18182 88 1 . 1 1 18 18 GLY C C 676 174.230 174.230 174.095 0.135 18182 89 1 . 1 1 18 18 GLY CA C 676 46.930 46.930 44.584 2.346 18182 90 1 . 1 1 19 19 ASN N N 677 124.910 124.910 120.503 4.407 18182 91 1 . 1 1 19 19 ASN HA H 677 4.894 4.894 4.719 0.175 18182 92 1 . 1 1 19 19 ASN C C 677 174.597 174.597 174.590 0.007 18182 93 1 . 1 1 19 19 ASN CA C 677 52.942 52.942 53.408 -0.466 18182 94 1 . 1 1 19 19 ASN CB C 677 36.959 36.959 37.851 -0.892 18182 95 1 . 1 1 19 19 ASN H H 677 8.682 8.682 8.553 0.129 18182 96 1 . 1 1 20 20 MET N N 678 122.347 122.347 122.482 -0.135 18182 97 1 . 1 1 20 20 MET HA H 678 4.115 4.115 4.579 -0.464 18182 98 1 . 1 1 20 20 MET C C 678 175.451 175.451 175.227 0.224 18182 99 1 . 1 1 20 20 MET CA C 678 56.675 56.675 55.095 1.580 18182 100 1 . 1 1 20 20 MET CB C 678 35.208 35.208 35.032 0.176 18182 101 1 . 1 1 20 20 MET H H 678 7.006 7.006 7.921 -0.915 18182 102 1 . 1 1 21 21 GLU N N 679 124.989 124.989 121.206 3.783 18182 103 1 . 1 1 21 21 GLU HA H 679 4.291 4.291 4.479 -0.188 18182 104 1 . 1 1 21 21 GLU C C 679 178.232 178.232 177.189 1.043 18182 105 1 . 1 1 21 21 GLU CA C 679 56.127 56.127 55.866 0.261 18182 106 1 . 1 1 21 21 GLU CB C 679 30.932 30.932 30.968 -0.036 18182 107 1 . 1 1 21 21 GLU H H 679 8.761 8.761 8.612 0.149 18182 108 1 . 1 1 22 22 ARG N N 680 125.521 125.521 122.653 2.868 18182 109 1 . 1 1 22 22 ARG HA H 680 3.336 3.336 3.995 -0.659 18182 110 1 . 1 1 22 22 ARG C C 680 177.707 177.707 178.210 -0.503 18182 111 1 . 1 1 22 22 ARG CA C 680 61.044 61.044 60.218 0.826 18182 112 1 . 1 1 22 22 ARG CB C 680 30.057 30.057 29.937 0.120 18182 113 1 . 1 1 22 22 ARG H H 680 9.406 9.406 8.820 0.586 18182 114 1 . 1 1 23 23 GLN N N 681 117.320 117.320 118.079 -0.759 18182 115 1 . 1 1 23 23 GLN HA H 681 4.065 4.065 4.058 0.007 18182 116 1 . 1 1 23 23 GLN C C 681 178.317 178.317 178.253 0.064 18182 117 1 . 1 1 23 23 GLN CA C 681 59.751 59.751 58.870 0.881 18182 118 1 . 1 1 23 23 GLN CB C 681 27.784 27.784 27.761 0.023 18182 119 1 . 1 1 23 23 GLN H H 681 9.048 9.048 8.663 0.385 18182 120 1 . 1 1 24 24 GLN N N 682 117.909 117.909 119.670 -1.761 18182 121 1 . 1 1 24 24 GLN HA H 682 4.121 4.121 4.147 -0.026 18182 122 1 . 1 1 24 24 GLN C C 682 178.190 178.190 178.524 -0.334 18182 123 1 . 1 1 24 24 GLN CA C 682 58.743 58.743 59.019 -0.276 18182 124 1 . 1 1 24 24 GLN CB C 682 28.315 28.315 28.474 -0.159 18182 125 1 . 1 1 24 24 GLN H H 682 7.182 7.182 8.186 -1.004 18182 126 1 . 1 1 25 25 THR N N 683 117.007 117.007 116.494 0.513 18182 127 1 . 1 1 25 25 THR HA H 683 3.681 3.681 3.950 -0.269 18182 128 1 . 1 1 25 25 THR C C 683 175.786 175.786 176.580 -0.794 18182 129 1 . 1 1 25 25 THR CA C 683 67.702 67.702 67.560 0.142 18182 130 1 . 1 1 25 25 THR CB C 683 68.000 68.000 68.248 -0.248 18182 131 1 . 1 1 25 25 THR H H 683 7.903 7.903 8.171 -0.268 18182 132 1 . 1 1 26 26 ASP N N 684 122.824 122.824 120.970 1.854 18182 133 1 . 1 1 26 26 ASP HA H 684 4.280 4.280 4.433 -0.153 18182 134 1 . 1 1 26 26 ASP C C 684 178.269 178.269 178.314 -0.045 18182 135 1 . 1 1 26 26 ASP CA C 684 58.136 58.136 57.510 0.626 18182 136 1 . 1 1 26 26 ASP CB C 684 40.178 40.178 40.934 -0.756 18182 137 1 . 1 1 26 26 ASP H H 684 8.430 8.430 8.229 0.201 18182 138 1 . 1 1 27 27 ASN N N 685 115.634 115.634 118.396 -2.762 18182 139 1 . 1 1 27 27 ASN HA H 685 4.359 4.359 4.548 -0.189 18182 140 1 . 1 1 27 27 ASN C C 685 177.065 177.065 178.080 -1.015 18182 141 1 . 1 1 27 27 ASN CA C 685 55.911 55.911 55.606 0.305 18182 142 1 . 1 1 27 27 ASN CB C 685 38.506 38.506 38.671 -0.165 18182 143 1 . 1 1 27 27 ASN H H 685 7.647 7.647 7.870 -0.223 18182 144 1 . 1 1 28 28 LEU N N 686 120.594 120.594 121.892 -1.298 18182 145 1 . 1 1 28 28 LEU HA H 686 4.229 4.229 4.111 0.118 18182 146 1 . 1 1 28 28 LEU C C 686 179.502 179.502 178.636 0.866 18182 147 1 . 1 1 28 28 LEU CA C 686 57.980 57.980 58.217 -0.237 18182 148 1 . 1 1 28 28 LEU CB C 686 43.103 43.103 42.351 0.752 18182 149 1 . 1 1 28 28 LEU H H 686 8.093 8.093 8.483 -0.390 18182 150 1 . 1 1 29 29 LEU N N 687 115.149 115.149 116.962 -1.813 18182 151 1 . 1 1 29 29 LEU HA H 687 4.082 4.082 4.260 -0.178 18182 152 1 . 1 1 29 29 LEU C C 687 178.910 178.910 178.844 0.066 18182 153 1 . 1 1 29 29 LEU CA C 687 56.917 56.917 56.670 0.247 18182 154 1 . 1 1 29 29 LEU CB C 687 42.898 42.898 41.716 1.182 18182 155 1 . 1 1 29 29 LEU H H 687 8.386 8.386 8.088 0.298 18182 156 1 . 1 1 30 30 LYS N N 688 118.086 118.086 118.818 -0.732 18182 157 1 . 1 1 30 30 LYS HA H 688 3.738 3.738 4.025 -0.287 18182 158 1 . 1 1 30 30 LYS C C 688 177.312 177.312 178.386 -1.074 18182 159 1 . 1 1 30 30 LYS CA C 688 60.509 60.509 59.214 1.295 18182 160 1 . 1 1 30 30 LYS CB C 688 32.090 32.090 32.357 -0.267 18182 161 1 . 1 1 30 30 LYS H H 688 7.752 7.752 7.805 -0.053 18182 162 1 . 1 1 31 31 SER N N 689 111.134 111.134 112.825 -1.691 18182 163 1 . 1 1 31 31 SER HA H 689 4.460 4.460 4.371 0.089 18182 164 1 . 1 1 31 31 SER C C 689 174.501 174.501 174.773 -0.272 18182 165 1 . 1 1 31 31 SER CA C 689 58.559 58.559 59.463 -0.904 18182 166 1 . 1 1 31 31 SER CB C 689 63.528 63.528 63.439 0.089 18182 167 1 . 1 1 31 31 SER H H 689 7.629 7.629 7.748 -0.119 18182 168 1 . 1 1 32 32 HIS N N 690 120.218 120.218 120.470 -0.252 18182 169 1 . 1 1 32 32 HIS HA H 690 4.656 4.656 4.573 0.083 18182 170 1 . 1 1 32 32 HIS C C 690 173.855 173.855 174.339 -0.484 18182 171 1 . 1 1 32 32 HIS CA C 690 56.219 56.219 56.604 -0.385 18182 172 1 . 1 1 32 32 HIS CB C 690 31.924 31.924 31.003 0.921 18182 173 1 . 1 1 32 32 HIS H H 690 7.701 7.701 7.448 0.253 18182 174 1 . 1 1 33 33 ALA N N 691 120.317 120.317 122.546 -2.229 18182 175 1 . 1 1 33 33 ALA HA H 691 4.331 4.331 4.534 -0.203 18182 176 1 . 1 1 33 33 ALA C C 691 179.494 179.494 177.039 2.455 18182 177 1 . 1 1 33 33 ALA CA C 691 51.850 51.850 51.490 0.360 18182 178 1 . 1 1 33 33 ALA CB C 691 20.045 20.045 20.322 -0.277 18182 179 1 . 1 1 33 33 ALA H H 691 8.453 8.453 8.561 -0.108 18182 180 1 . 1 1 34 34 SER N N 692 117.274 117.274 115.167 2.107 18182 181 1 . 1 1 34 34 SER HA H 692 4.089 4.089 4.435 -0.346 18182 182 1 . 1 1 34 34 SER C C 692 175.336 175.336 175.300 0.036 18182 183 1 . 1 1 34 34 SER CA C 692 60.531 60.531 59.664 0.867 18182 184 1 . 1 1 34 34 SER CB C 692 63.308 63.308 63.122 0.187 18182 185 1 . 1 1 34 34 SER H H 692 8.997 8.997 8.542 0.455 18182 186 1 . 1 1 35 35 GLY N N 693 113.573 113.573 112.780 0.793 18182 187 1 . 1 1 35 35 GLY C C 693 174.808 174.808 174.060 0.748 18182 188 1 . 1 1 35 35 GLY CA C 693 44.859 44.859 45.132 -0.273 18182 189 1 . 1 1 35 35 GLY H H 693 9.926 9.926 8.821 1.105 18182 190 1 . 1 1 36 36 THR N N 694 121.076 121.076 120.135 0.941 18182 191 1 . 1 1 36 36 THR HA H 694 5.962 5.962 5.371 0.591 18182 192 1 . 1 1 36 36 THR C C 694 173.297 173.297 173.779 -0.482 18182 193 1 . 1 1 36 36 THR CA C 694 63.612 63.612 63.332 0.280 18182 194 1 . 1 1 36 36 THR CB C 694 68.317 68.317 69.428 -1.111 18182 195 1 . 1 1 36 36 THR H H 694 8.291 8.291 7.547 0.744 18182 196 1 . 1 1 37 37 TYR N N 695 123.616 123.616 123.942 -0.326 18182 197 1 . 1 1 37 37 TYR HA H 695 6.041 6.041 5.721 0.320 18182 198 1 . 1 1 37 37 TYR C C 695 171.831 171.831 173.206 -1.375 18182 199 1 . 1 1 37 37 TYR CA C 695 55.305 55.305 54.904 0.401 18182 200 1 . 1 1 37 37 TYR CB C 695 44.359 44.359 41.888 2.471 18182 201 1 . 1 1 37 37 TYR H H 695 8.805 8.805 8.962 -0.157 18182 202 1 . 1 1 38 38 LEU N N 696 115.449 115.449 114.980 0.469 18182 203 1 . 1 1 38 38 LEU HA H 696 5.159 5.159 5.148 0.011 18182 204 1 . 1 1 38 38 LEU C C 696 174.331 174.331 174.584 -0.253 18182 205 1 . 1 1 38 38 LEU CA C 696 53.857 53.857 54.834 -0.977 18182 206 1 . 1 1 38 38 LEU CB C 696 46.893 46.893 46.006 0.887 18182 207 1 . 1 1 38 38 LEU H H 696 9.105 9.105 8.563 0.542 18182 208 1 . 1 1 39 39 ILE N N 697 121.911 121.911 119.933 1.978 18182 209 1 . 1 1 39 39 ILE HA H 697 5.419 5.419 4.898 0.521 18182 210 1 . 1 1 39 39 ILE C C 697 173.476 173.476 174.980 -1.504 18182 211 1 . 1 1 39 39 ILE CA C 697 59.925 59.925 60.086 -0.161 18182 212 1 . 1 1 39 39 ILE CB C 697 38.929 38.929 40.362 -1.433 18182 213 1 . 1 1 39 39 ILE H H 697 9.313 9.313 8.260 1.053 18182 214 1 . 1 1 40 40 ARG N N 698 122.878 122.878 124.540 -1.662 18182 215 1 . 1 1 40 40 ARG HA H 698 5.292 5.292 5.093 0.199 18182 216 1 . 1 1 40 40 ARG C C 698 174.308 174.308 174.850 -0.541 18182 217 1 . 1 1 40 40 ARG CA C 698 51.744 51.744 53.456 -1.712 18182 218 1 . 1 1 40 40 ARG CB C 698 33.517 33.517 33.566 -0.049 18182 219 1 . 1 1 40 40 ARG H H 698 9.185 9.185 9.075 0.110 18182 220 1 . 1 1 41 41 GLU N N 699 122.405 122.405 120.789 1.616 18182 221 1 . 1 1 41 41 GLU HA H 699 4.897 4.897 4.542 0.355 18182 222 1 . 1 1 41 41 GLU C C 699 176.242 176.242 175.145 1.097 18182 223 1 . 1 1 41 41 GLU CA C 699 55.526 55.526 55.694 -0.168 18182 224 1 . 1 1 41 41 GLU CB C 699 32.133 32.133 32.173 -0.040 18182 225 1 . 1 1 41 41 GLU H H 699 8.634 8.634 8.332 0.302 18182 226 1 . 1 1 42 42 ARG N N 700 125.045 125.045 124.910 0.135 18182 227 1 . 1 1 42 42 ARG HA H 700 4.694 4.694 4.767 -0.073 18182 228 1 . 1 1 42 42 ARG CB C 700 31.573 31.573 32.074 -0.501 18182 229 1 . 1 1 42 42 ARG H H 700 8.639 8.639 8.084 0.555 18182 230 1 . 1 1 43 43 PRO HA H 701 4.414 4.414 4.372 0.042 18182 231 1 . 1 1 43 43 PRO CA C 701 63.411 63.411 63.181 0.230 18182 232 1 . 1 1 43 43 PRO CB C 701 30.498 30.498 31.191 -0.693 18182 233 1 . 1 1 44 44 ALA N N 702 122.925 122.925 127.281 -4.356 18182 234 1 . 1 1 44 44 ALA HA H 702 4.322 4.322 4.480 -0.158 18182 235 1 . 1 1 44 44 ALA C C 702 176.610 176.610 176.848 -0.238 18182 236 1 . 1 1 44 44 ALA CA C 702 51.802 51.802 51.347 0.455 18182 237 1 . 1 1 44 44 ALA CB C 702 20.391 20.391 20.908 -0.517 18182 238 1 . 1 1 44 44 ALA H H 702 7.888 7.888 7.817 0.071 18182 239 1 . 1 1 45 45 GLU N N 703 118.799 118.799 119.866 -1.067 18182 240 1 . 1 1 45 45 GLU HA H 703 4.237 4.237 4.259 -0.022 18182 241 1 . 1 1 45 45 GLU C C 703 176.717 176.717 177.671 -0.954 18182 242 1 . 1 1 45 45 GLU CA C 703 56.901 56.901 57.858 -0.957 18182 243 1 . 1 1 45 45 GLU CB C 703 30.086 30.086 29.772 0.314 18182 244 1 . 1 1 45 45 GLU H H 703 7.947 7.947 8.829 -0.882 18182 245 1 . 1 1 46 46 ALA N N 704 120.631 120.631 121.842 -1.211 18182 246 1 . 1 1 46 46 ALA HA H 704 4.415 4.415 4.282 0.133 18182 247 1 . 1 1 46 46 ALA C C 704 178.411 178.411 177.019 1.392 18182 248 1 . 1 1 46 46 ALA CA C 704 54.208 54.208 53.447 0.761 18182 249 1 . 1 1 46 46 ALA CB C 704 19.243 19.243 19.254 -0.011 18182 250 1 . 1 1 46 46 ALA H H 704 8.643 8.643 8.004 0.639 18182 251 1 . 1 1 47 47 GLU N N 705 119.341 119.341 117.552 1.789 18182 252 1 . 1 1 47 47 GLU HA H 705 4.856 4.856 4.895 -0.039 18182 253 1 . 1 1 47 47 GLU C C 705 176.013 176.013 175.999 0.014 18182 254 1 . 1 1 47 47 GLU CA C 705 54.858 54.858 55.916 -1.058 18182 255 1 . 1 1 47 47 GLU CB C 705 26.834 26.834 30.573 -3.739 18182 256 1 . 1 1 47 47 GLU H H 705 7.635 7.635 8.128 -0.493 18182 257 1 . 1 1 48 48 ARG N N 706 120.355 120.355 121.930 -1.575 18182 258 1 . 1 1 48 48 ARG HA H 706 3.965 3.965 4.362 -0.397 18182 259 1 . 1 1 48 48 ARG C C 706 175.117 175.117 175.461 -0.344 18182 260 1 . 1 1 48 48 ARG CA C 706 58.155 58.155 56.870 1.285 18182 261 1 . 1 1 48 48 ARG CB C 706 31.691 31.691 32.640 -0.949 18182 262 1 . 1 1 48 48 ARG H H 706 7.971 7.971 8.187 -0.216 18182 263 1 . 1 1 49 49 PHE N N 707 112.251 112.251 115.305 -3.054 18182 264 1 . 1 1 49 49 PHE HA H 707 5.905 5.905 4.844 1.061 18182 265 1 . 1 1 49 49 PHE C C 707 173.875 173.875 173.550 0.325 18182 266 1 . 1 1 49 49 PHE CA C 707 54.809 54.809 56.690 -1.881 18182 267 1 . 1 1 49 49 PHE CB C 707 43.075 43.075 43.689 -0.614 18182 268 1 . 1 1 49 49 PHE H H 707 7.857 7.857 7.438 0.419 18182 269 1 . 1 1 50 50 ALA N N 708 118.730 118.730 121.842 -3.112 18182 270 1 . 1 1 50 50 ALA HA H 708 5.454 5.454 5.080 0.374 18182 271 1 . 1 1 50 50 ALA C C 708 176.479 176.479 175.308 1.171 18182 272 1 . 1 1 50 50 ALA CA C 708 50.842 50.842 50.925 -0.083 18182 273 1 . 1 1 50 50 ALA CB C 708 21.718 21.718 21.924 -0.207 18182 274 1 . 1 1 50 50 ALA H H 708 9.205 9.205 8.993 0.212 18182 275 1 . 1 1 51 51 ILE N N 709 120.037 120.037 123.084 -3.047 18182 276 1 . 1 1 51 51 ILE HA H 709 4.746 4.746 4.865 -0.119 18182 277 1 . 1 1 51 51 ILE C C 709 175.120 175.120 175.262 -0.142 18182 278 1 . 1 1 51 51 ILE CA C 709 60.723 60.723 60.197 0.526 18182 279 1 . 1 1 51 51 ILE CB C 709 40.300 40.300 40.797 -0.496 18182 280 1 . 1 1 51 51 ILE H H 709 9.262 9.262 8.877 0.385 18182 281 1 . 1 1 52 52 SER N N 710 125.087 125.087 119.858 5.229 18182 282 1 . 1 1 52 52 SER HA H 710 5.468 5.468 5.186 0.282 18182 283 1 . 1 1 52 52 SER C C 710 172.060 172.060 172.567 -0.507 18182 284 1 . 1 1 52 52 SER CA C 710 57.761 57.761 57.059 0.702 18182 285 1 . 1 1 52 52 SER CB C 710 65.210 65.210 65.460 -0.250 18182 286 1 . 1 1 52 52 SER H H 710 9.205 9.205 8.918 0.287 18182 287 1 . 1 1 53 53 ILE N N 711 121.753 121.753 124.489 -2.736 18182 288 1 . 1 1 53 53 ILE HA H 711 5.195 5.195 5.060 0.135 18182 289 1 . 1 1 53 53 ILE C C 711 173.070 173.070 173.142 -0.072 18182 290 1 . 1 1 53 53 ILE CA C 711 57.755 57.755 59.264 -1.509 18182 291 1 . 1 1 53 53 ILE CB C 711 43.357 43.357 42.960 0.397 18182 292 1 . 1 1 53 53 ILE H H 711 8.989 8.989 8.454 0.535 18182 293 1 . 1 1 54 54 LYS N N 712 128.758 128.758 127.886 0.872 18182 294 1 . 1 1 54 54 LYS HA H 712 4.787 4.787 5.032 -0.245 18182 295 1 . 1 1 54 54 LYS C C 712 174.899 174.899 174.869 0.030 18182 296 1 . 1 1 54 54 LYS CA C 712 54.367 54.367 54.867 -0.499 18182 297 1 . 1 1 54 54 LYS CB C 712 33.358 33.358 33.770 -0.412 18182 298 1 . 1 1 54 54 LYS H H 712 8.894 8.894 8.623 0.271 18182 299 1 . 1 1 55 55 PHE N N 713 130.369 130.369 126.744 3.625 18182 300 1 . 1 1 55 55 PHE HA H 713 4.947 4.947 4.878 0.069 18182 301 1 . 1 1 55 55 PHE C C 713 174.238 174.238 174.111 0.127 18182 302 1 . 1 1 55 55 PHE CA C 713 58.165 58.165 57.164 1.001 18182 303 1 . 1 1 55 55 PHE CB C 713 41.804 41.804 42.803 -0.999 18182 304 1 . 1 1 55 55 PHE H H 713 9.464 9.464 8.847 0.617 18182 305 1 . 1 1 56 56 ASN N N 714 125.719 125.719 124.920 0.799 18182 306 1 . 1 1 56 56 ASN HA H 714 3.941 3.941 4.116 -0.175 18182 307 1 . 1 1 56 56 ASN C C 714 174.003 174.003 174.382 -0.379 18182 308 1 . 1 1 56 56 ASN CA C 714 55.230 55.230 53.918 1.312 18182 309 1 . 1 1 56 56 ASN CB C 714 36.140 36.140 37.274 -1.134 18182 310 1 . 1 1 56 56 ASN H H 714 8.411 8.411 8.602 -0.191 18182 311 1 . 1 1 57 57 ASP N N 715 117.904 117.904 113.866 4.038 18182 312 1 . 1 1 57 57 ASP HA H 715 4.621 4.621 4.255 0.366 18182 313 1 . 1 1 57 57 ASP C C 715 174.858 174.858 174.725 0.133 18182 314 1 . 1 1 57 57 ASP CA C 715 55.182 55.182 55.934 -0.752 18182 315 1 . 1 1 57 57 ASP CB C 715 40.886 40.886 40.304 0.582 18182 316 1 . 1 1 57 57 ASP H H 715 8.542 8.542 8.491 0.051 18182 317 1 . 1 1 58 58 GLU N N 716 118.707 118.707 117.036 1.671 18182 318 1 . 1 1 58 58 GLU HA H 716 4.710 4.710 4.614 0.096 18182 319 1 . 1 1 58 58 GLU C C 716 173.755 173.755 174.883 -1.128 18182 320 1 . 1 1 58 58 GLU CA C 716 55.047 55.047 55.209 -0.162 18182 321 1 . 1 1 58 58 GLU CB C 716 34.286 34.286 33.509 0.777 18182 322 1 . 1 1 58 58 GLU H H 716 7.889 7.889 7.601 0.288 18182 323 1 . 1 1 59 59 VAL N N 717 120.720 120.720 125.348 -4.628 18182 324 1 . 1 1 59 59 VAL HA H 717 4.430 4.430 4.262 0.168 18182 325 1 . 1 1 59 59 VAL C C 717 175.071 175.071 175.946 -0.875 18182 326 1 . 1 1 59 59 VAL CA C 717 62.139 62.139 62.328 -0.189 18182 327 1 . 1 1 59 59 VAL CB C 717 32.071 32.071 31.591 0.480 18182 328 1 . 1 1 59 59 VAL H H 717 8.536 8.536 8.613 -0.077 18182 329 1 . 1 1 60 60 LYS N N 718 126.403 126.403 127.145 -0.742 18182 330 1 . 1 1 60 60 LYS HA H 718 4.555 4.555 4.635 -0.080 18182 331 1 . 1 1 60 60 LYS C C 718 174.578 174.578 174.902 -0.324 18182 332 1 . 1 1 60 60 LYS CA C 718 53.117 53.117 54.164 -1.047 18182 333 1 . 1 1 60 60 LYS CB C 718 34.906 34.906 34.809 0.097 18182 334 1 . 1 1 60 60 LYS H H 718 8.879 8.879 8.617 0.262 18182 335 1 . 1 1 61 61 HIS N N 719 118.939 118.939 118.614 0.325 18182 336 1 . 1 1 61 61 HIS HA H 719 5.510 5.510 5.296 0.214 18182 337 1 . 1 1 61 61 HIS C C 719 174.482 174.482 174.854 -0.372 18182 338 1 . 1 1 61 61 HIS CA C 719 55.418 55.418 55.260 0.158 18182 339 1 . 1 1 61 61 HIS CB C 719 35.249 35.249 32.840 2.409 18182 340 1 . 1 1 61 61 HIS H H 719 8.846 8.846 8.428 0.418 18182 341 1 . 1 1 62 62 ILE N N 720 124.690 124.690 124.433 0.257 18182 342 1 . 1 1 62 62 ILE HA H 720 4.508 4.508 4.371 0.137 18182 343 1 . 1 1 62 62 ILE C C 720 176.221 176.221 174.807 1.414 18182 344 1 . 1 1 62 62 ILE CA C 720 60.283 60.283 60.279 0.004 18182 345 1 . 1 1 62 62 ILE CB C 720 43.022 43.022 39.658 3.365 18182 346 1 . 1 1 62 62 ILE H H 720 9.704 9.704 9.165 0.539 18182 347 1 . 1 1 63 63 LYS N N 721 126.432 126.432 127.888 -1.456 18182 348 1 . 1 1 63 63 LYS HA H 721 4.135 4.135 4.423 -0.288 18182 349 1 . 1 1 63 63 LYS C C 721 174.783 174.783 175.627 -0.844 18182 350 1 . 1 1 63 63 LYS CA C 721 58.478 58.478 56.356 2.122 18182 351 1 . 1 1 63 63 LYS CB C 721 33.853 33.853 33.005 0.848 18182 352 1 . 1 1 63 63 LYS H H 721 9.100 9.100 8.658 0.442 18182 353 1 . 1 1 64 64 VAL N N 722 123.306 123.306 122.748 0.558 18182 354 1 . 1 1 64 64 VAL HA H 722 4.258 4.258 4.259 -0.001 18182 355 1 . 1 1 64 64 VAL C C 722 174.284 174.284 174.501 -0.217 18182 356 1 . 1 1 64 64 VAL CA C 722 61.293 61.293 61.587 -0.294 18182 357 1 . 1 1 64 64 VAL CB C 722 32.546 32.546 32.876 -0.330 18182 358 1 . 1 1 64 64 VAL H H 722 8.441 8.441 8.431 0.010 18182 359 1 . 1 1 65 65 VAL N N 723 126.508 126.508 126.790 -0.282 18182 360 1 . 1 1 65 65 VAL HA H 723 4.282 4.282 4.554 -0.272 18182 361 1 . 1 1 65 65 VAL C C 723 174.127 174.127 174.654 -0.527 18182 362 1 . 1 1 65 65 VAL CA C 723 61.600 61.600 60.780 0.820 18182 363 1 . 1 1 65 65 VAL CB C 723 33.717 33.717 33.493 0.224 18182 364 1 . 1 1 65 65 VAL H H 723 8.462 8.462 8.347 0.115 18182 365 1 . 1 1 66 66 GLU N N 724 126.016 126.016 128.404 -2.388 18182 366 1 . 1 1 66 66 GLU HA H 724 5.226 5.226 4.939 0.287 18182 367 1 . 1 1 66 66 GLU C C 724 175.409 175.409 175.122 0.287 18182 368 1 . 1 1 66 66 GLU CA C 724 54.751 54.751 55.121 -0.370 18182 369 1 . 1 1 66 66 GLU CB C 724 32.457 32.457 31.597 0.860 18182 370 1 . 1 1 66 66 GLU H H 724 8.619 8.619 8.344 0.275 18182 371 1 . 1 1 67 67 LYS N N 725 125.813 125.813 124.562 1.251 18182 372 1 . 1 1 67 67 LYS HA H 725 4.497 4.497 4.533 -0.036 18182 373 1 . 1 1 67 67 LYS C C 725 175.635 175.635 175.525 0.110 18182 374 1 . 1 1 67 67 LYS CA C 725 56.423 56.423 55.484 0.939 18182 375 1 . 1 1 67 67 LYS CB C 725 35.298 35.298 35.387 -0.089 18182 376 1 . 1 1 67 67 LYS H H 725 8.740 8.740 8.301 0.439 18182 377 1 . 1 1 68 68 ASP N N 726 126.958 126.958 122.199 4.759 18182 378 1 . 1 1 68 68 ASP HA H 726 4.231 4.231 4.297 -0.066 18182 379 1 . 1 1 68 68 ASP C C 726 174.341 174.341 175.227 -0.886 18182 380 1 . 1 1 68 68 ASP CA C 726 56.253 56.253 55.706 0.547 18182 381 1 . 1 1 68 68 ASP CB C 726 39.499 39.499 39.718 -0.219 18182 382 1 . 1 1 68 68 ASP H H 726 9.499 9.499 8.895 0.604 18182 383 1 . 1 1 69 69 ASN N N 727 110.214 110.214 113.396 -3.182 18182 384 1 . 1 1 69 69 ASN HA H 727 4.265 4.265 4.219 0.046 18182 385 1 . 1 1 69 69 ASN C C 727 173.779 173.779 173.199 0.580 18182 386 1 . 1 1 69 69 ASN CA C 727 54.689 54.689 54.189 0.500 18182 387 1 . 1 1 69 69 ASN CB C 727 37.488 37.488 37.759 -0.271 18182 388 1 . 1 1 69 69 ASN H H 727 8.348 8.348 8.441 -0.093 18182 389 1 . 1 1 70 70 TRP N N 728 119.007 119.007 115.640 3.367 18182 390 1 . 1 1 70 70 TRP HA H 728 5.390 5.390 5.082 0.308 18182 391 1 . 1 1 70 70 TRP C C 728 174.779 174.779 174.800 -0.021 18182 392 1 . 1 1 70 70 TRP CA C 728 56.826 56.826 55.455 1.371 18182 393 1 . 1 1 70 70 TRP CB C 728 33.555 33.555 32.160 1.395 18182 394 1 . 1 1 70 70 TRP H H 728 8.063 8.063 7.557 0.506 18182 395 1 . 1 1 71 71 ILE N N 729 122.016 122.016 121.405 0.611 18182 396 1 . 1 1 71 71 ILE HA H 729 5.600 5.600 4.676 0.924 18182 397 1 . 1 1 71 71 ILE C C 729 175.184 175.184 174.050 1.134 18182 398 1 . 1 1 71 71 ILE CA C 729 58.854 58.854 59.820 -0.966 18182 399 1 . 1 1 71 71 ILE CB C 729 41.596 41.596 40.636 0.960 18182 400 1 . 1 1 71 71 ILE H H 729 9.378 9.378 9.142 0.236 18182 401 1 . 1 1 72 72 HIS N N 730 121.306 121.306 122.787 -1.481 18182 402 1 . 1 1 72 72 HIS HA H 730 5.218 5.218 5.187 0.031 18182 403 1 . 1 1 72 72 HIS C C 730 173.714 173.714 174.234 -0.520 18182 404 1 . 1 1 72 72 HIS CA C 730 56.642 56.642 55.755 0.887 18182 405 1 . 1 1 72 72 HIS CB C 730 32.505 32.505 31.694 0.811 18182 406 1 . 1 1 72 72 HIS H H 730 9.048 9.048 8.275 0.773 18182 407 1 . 1 1 73 73 ILE N N 731 112.643 112.643 115.737 -3.093 18182 408 1 . 1 1 73 73 ILE HA H 731 4.937 4.937 4.551 0.386 18182 409 1 . 1 1 73 73 ILE C C 731 175.442 175.442 175.735 -0.293 18182 410 1 . 1 1 73 73 ILE CA C 731 62.678 62.678 62.062 0.616 18182 411 1 . 1 1 73 73 ILE CB C 731 39.406 39.406 39.188 0.218 18182 412 1 . 1 1 73 73 ILE H H 731 9.499 9.499 8.716 0.783 18182 413 1 . 1 1 74 74 THR N N 732 115.752 115.752 111.655 4.097 18182 414 1 . 1 1 74 74 THR HA H 732 4.812 4.812 4.507 0.305 18182 415 1 . 1 1 74 74 THR C C 732 173.575 173.575 174.332 -0.757 18182 416 1 . 1 1 74 74 THR CA C 732 58.650 58.650 60.067 -1.417 18182 417 1 . 1 1 74 74 THR CB C 732 70.177 70.177 71.320 -1.143 18182 418 1 . 1 1 74 74 THR H H 732 8.364 8.364 7.746 0.618 18182 419 1 . 1 1 75 75 GLU N N 733 124.910 124.910 119.585 5.325 18182 420 1 . 1 1 75 75 GLU HA H 733 2.973 2.973 4.315 -1.342 18182 421 1 . 1 1 75 75 GLU C C 733 175.609 175.609 175.476 0.133 18182 422 1 . 1 1 75 75 GLU CA C 733 58.662 58.662 56.428 2.235 18182 423 1 . 1 1 75 75 GLU CB C 733 28.963 28.963 28.986 -0.023 18182 424 1 . 1 1 75 75 GLU H H 733 8.754 8.754 8.792 -0.038 18182 425 1 . 1 1 76 76 ALA N N 734 117.847 117.847 121.202 -3.355 18182 426 1 . 1 1 76 76 ALA HA H 734 3.940 3.940 4.369 -0.429 18182 427 1 . 1 1 76 76 ALA C C 734 177.033 177.033 177.071 -0.039 18182 428 1 . 1 1 76 76 ALA CA C 734 53.174 53.174 52.668 0.506 18182 429 1 . 1 1 76 76 ALA CB C 734 19.493 19.493 20.337 -0.844 18182 430 1 . 1 1 76 76 ALA H H 734 7.538 7.538 7.696 -0.158 18182 431 1 . 1 1 77 77 LYS N N 735 119.518 119.518 120.089 -0.571 18182 432 1 . 1 1 77 77 LYS HA H 735 4.111 4.111 4.255 -0.144 18182 433 1 . 1 1 77 77 LYS C C 735 171.953 171.953 174.677 -2.724 18182 434 1 . 1 1 77 77 LYS CA C 735 54.699 54.699 55.302 -0.603 18182 435 1 . 1 1 77 77 LYS CB C 735 33.285 33.285 33.742 -0.457 18182 436 1 . 1 1 77 77 LYS H H 735 7.326 7.326 7.859 -0.533 18182 437 1 . 1 1 78 78 LYS N N 736 123.200 123.200 120.399 2.801 18182 438 1 . 1 1 78 78 LYS HA H 736 4.731 4.731 4.411 0.320 18182 439 1 . 1 1 78 78 LYS C C 736 175.123 175.123 175.102 0.021 18182 440 1 . 1 1 78 78 LYS CA C 736 55.110 55.110 54.954 0.156 18182 441 1 . 1 1 78 78 LYS CB C 736 34.970 34.970 34.298 0.672 18182 442 1 . 1 1 78 78 LYS H H 736 7.893 7.893 7.772 0.121 18182 443 1 . 1 1 79 79 PHE N N 737 117.916 117.916 119.933 -2.017 18182 444 1 . 1 1 79 79 PHE HA H 737 4.994 4.994 4.674 0.320 18182 445 1 . 1 1 79 79 PHE C C 737 175.595 175.595 175.645 -0.050 18182 446 1 . 1 1 79 79 PHE CA C 737 56.941 56.941 56.896 0.045 18182 447 1 . 1 1 79 79 PHE CB C 737 43.413 43.413 42.704 0.709 18182 448 1 . 1 1 79 79 PHE H H 737 9.121 9.121 8.744 0.377 18182 449 1 . 1 1 80 80 ASP N N 738 119.341 119.341 120.151 -0.810 18182 450 1 . 1 1 80 80 ASP HA H 738 4.749 4.749 5.021 -0.272 18182 451 1 . 1 1 80 80 ASP C C 738 176.035 176.035 176.060 -0.025 18182 452 1 . 1 1 80 80 ASP CA C 738 55.712 55.712 55.621 0.091 18182 453 1 . 1 1 80 80 ASP CB C 738 41.709 41.709 41.979 -0.270 18182 454 1 . 1 1 80 80 ASP H H 738 9.377 9.377 9.000 0.377 18182 455 1 . 1 1 81 81 SER N N 739 108.518 108.518 110.019 -1.501 18182 456 1 . 1 1 81 81 SER HA H 739 4.694 4.694 4.642 0.052 18182 457 1 . 1 1 81 81 SER C C 739 173.791 173.791 173.980 -0.189 18182 458 1 . 1 1 81 81 SER CA C 739 57.049 57.049 57.486 -0.437 18182 459 1 . 1 1 81 81 SER CB C 739 66.839 66.839 65.287 1.552 18182 460 1 . 1 1 81 81 SER H H 739 7.447 7.447 7.530 -0.083 18182 461 1 . 1 1 82 82 LEU N N 740 122.626 122.626 123.748 -1.122 18182 462 1 . 1 1 82 82 LEU HA H 740 3.811 3.811 4.125 -0.314 18182 463 1 . 1 1 82 82 LEU C C 740 177.172 177.172 177.766 -0.594 18182 464 1 . 1 1 82 82 LEU CA C 740 57.469 57.469 58.188 -0.719 18182 465 1 . 1 1 82 82 LEU CB C 740 40.819 40.819 42.007 -1.188 18182 466 1 . 1 1 82 82 LEU H H 740 8.969 8.969 8.726 0.243 18182 467 1 . 1 1 83 83 LEU N N 741 116.575 116.575 119.410 -2.835 18182 468 1 . 1 1 83 83 LEU HA H 741 3.837 3.837 3.964 -0.127 18182 469 1 . 1 1 83 83 LEU C C 741 177.492 177.492 178.446 -0.954 18182 470 1 . 1 1 83 83 LEU CA C 741 58.264 58.264 58.608 -0.344 18182 471 1 . 1 1 83 83 LEU CB C 741 41.929 41.929 41.460 0.469 18182 472 1 . 1 1 83 83 LEU H H 741 7.770 7.770 7.922 -0.152 18182 473 1 . 1 1 84 84 GLU N N 742 116.865 116.865 118.937 -2.072 18182 474 1 . 1 1 84 84 GLU HA H 742 3.918 3.918 4.074 -0.156 18182 475 1 . 1 1 84 84 GLU C C 742 178.252 178.252 178.961 -0.709 18182 476 1 . 1 1 84 84 GLU CA C 742 59.391 59.391 59.651 -0.260 18182 477 1 . 1 1 84 84 GLU CB C 742 30.459 30.459 29.384 1.075 18182 478 1 . 1 1 84 84 GLU H H 742 7.585 7.585 8.012 -0.427 18182 479 1 . 1 1 85 85 LEU N N 743 122.164 122.164 120.522 1.642 18182 480 1 . 1 1 85 85 LEU HA H 743 2.028 2.028 2.693 -0.665 18182 481 1 . 1 1 85 85 LEU C C 743 177.335 177.335 178.442 -1.107 18182 482 1 . 1 1 85 85 LEU CA C 743 58.771 58.771 57.549 1.222 18182 483 1 . 1 1 85 85 LEU CB C 743 41.827 41.827 41.670 0.157 18182 484 1 . 1 1 85 85 LEU H H 743 7.109 7.109 7.291 -0.182 18182 485 1 . 1 1 86 86 VAL N N 744 119.760 119.760 118.999 0.761 18182 486 1 . 1 1 86 86 VAL HA H 744 2.853 2.853 3.329 -0.476 18182 487 1 . 1 1 86 86 VAL C C 744 177.675 177.675 178.063 -0.388 18182 488 1 . 1 1 86 86 VAL CA C 744 67.113 67.113 66.737 0.376 18182 489 1 . 1 1 86 86 VAL CB C 744 31.111 31.111 30.943 0.168 18182 490 1 . 1 1 86 86 VAL H H 744 8.113 8.113 8.329 -0.216 18182 491 1 . 1 1 87 87 GLU N N 745 116.227 116.227 119.406 -3.178 18182 492 1 . 1 1 87 87 GLU HA H 745 3.762 3.762 3.853 -0.091 18182 493 1 . 1 1 87 87 GLU C C 745 179.530 179.530 179.059 0.471 18182 494 1 . 1 1 87 87 GLU CA C 745 59.438 59.438 59.521 -0.083 18182 495 1 . 1 1 87 87 GLU CB C 745 29.152 29.152 29.353 -0.201 18182 496 1 . 1 1 87 87 GLU H H 745 8.182 8.182 8.332 -0.150 18182 497 1 . 1 1 88 88 TYR N N 746 120.102 120.102 120.224 -0.122 18182 498 1 . 1 1 88 88 TYR HA H 746 4.147 4.147 4.049 0.098 18182 499 1 . 1 1 88 88 TYR C C 746 179.970 179.970 178.214 1.756 18182 500 1 . 1 1 88 88 TYR CA C 746 62.730 62.730 62.022 0.709 18182 501 1 . 1 1 88 88 TYR CB C 746 38.888 38.888 38.569 0.319 18182 502 1 . 1 1 88 88 TYR H H 746 7.795 7.795 8.009 -0.214 18182 503 1 . 1 1 89 89 TYR N N 747 118.508 118.508 117.524 0.984 18182 504 1 . 1 1 89 89 TYR HA H 747 5.101 5.101 4.556 0.545 18182 505 1 . 1 1 89 89 TYR C C 747 175.885 175.885 178.455 -2.570 18182 506 1 . 1 1 89 89 TYR CA C 747 61.177 61.177 60.763 0.414 18182 507 1 . 1 1 89 89 TYR CB C 747 37.043 37.043 37.942 -0.899 18182 508 1 . 1 1 89 89 TYR H H 747 7.798 7.798 8.155 -0.357 18182 509 1 . 1 1 90 90 GLN N N 748 118.741 118.741 118.299 0.442 18182 510 1 . 1 1 90 90 GLN HA H 748 4.420 4.420 3.815 0.605 18182 511 1 . 1 1 90 90 GLN C C 748 177.767 177.767 176.782 0.985 18182 512 1 . 1 1 90 90 GLN CA C 748 57.871 57.871 58.802 -0.931 18182 513 1 . 1 1 90 90 GLN CB C 748 28.673 28.673 28.563 0.111 18182 514 1 . 1 1 90 90 GLN H H 748 7.925 7.925 8.075 -0.150 18182 515 1 . 1 1 91 91 CYS N N 749 111.312 111.312 114.070 -2.758 18182 516 1 . 1 1 91 91 CYS HA H 749 4.641 4.641 4.314 0.327 18182 517 1 . 1 1 91 91 CYS C C 749 173.010 173.010 174.844 -1.834 18182 518 1 . 1 1 91 91 CYS CA C 749 57.535 57.535 58.941 -1.406 18182 519 1 . 1 1 91 91 CYS CB C 749 29.179 29.179 29.559 -0.380 18182 520 1 . 1 1 91 91 CYS H H 749 7.178 7.178 7.280 -0.102 18182 521 1 . 1 1 92 92 HIS N N 750 120.386 120.386 119.210 1.176 18182 522 1 . 1 1 92 92 HIS HA H 750 4.368 4.368 4.555 -0.187 18182 523 1 . 1 1 92 92 HIS C C 750 171.815 171.815 174.383 -2.568 18182 524 1 . 1 1 92 92 HIS CA C 750 55.168 55.168 55.176 -0.008 18182 525 1 . 1 1 92 92 HIS CB C 750 29.306 29.306 30.594 -1.288 18182 526 1 . 1 1 92 92 HIS H H 750 7.540 7.540 7.771 -0.231 18182 527 1 . 1 1 93 93 SER N N 751 113.259 113.259 116.886 -3.627 18182 528 1 . 1 1 93 93 SER HA H 751 3.812 3.812 4.337 -0.525 18182 529 1 . 1 1 93 93 SER C C 751 176.644 176.644 175.822 0.822 18182 530 1 . 1 1 93 93 SER CA C 751 58.040 58.040 58.087 -0.047 18182 531 1 . 1 1 93 93 SER CB C 751 62.954 62.954 63.977 -1.023 18182 532 1 . 1 1 93 93 SER H H 751 8.397 8.397 8.733 -0.336 18182 533 1 . 1 1 94 94 LEU N N 752 127.166 127.166 125.500 1.666 18182 534 1 . 1 1 94 94 LEU HA H 752 4.140 4.140 4.462 -0.322 18182 535 1 . 1 1 94 94 LEU C C 752 177.462 177.462 177.770 -0.308 18182 536 1 . 1 1 94 94 LEU CA C 752 58.300 58.300 56.292 2.008 18182 537 1 . 1 1 94 94 LEU CB C 752 42.332 42.332 41.433 0.899 18182 538 1 . 1 1 94 94 LEU H H 752 8.580 8.580 8.461 0.119 18182 539 1 . 1 1 95 95 LYS N N 753 122.119 122.119 119.135 2.984 18182 540 1 . 1 1 95 95 LYS HA H 753 4.440 4.440 4.503 -0.063 18182 541 1 . 1 1 95 95 LYS C C 753 176.253 176.253 178.668 -2.415 18182 542 1 . 1 1 95 95 LYS CA C 753 57.229 57.229 58.616 -1.387 18182 543 1 . 1 1 95 95 LYS CB C 753 32.344 32.344 31.780 0.564 18182 544 1 . 1 1 95 95 LYS H H 753 8.322 8.322 7.698 0.624 18182 545 1 . 1 1 96 96 GLU N N 754 115.310 115.310 119.328 -4.018 18182 546 1 . 1 1 96 96 GLU HA H 754 4.137 4.137 4.048 0.089 18182 547 1 . 1 1 96 96 GLU C C 754 176.704 176.704 177.981 -1.277 18182 548 1 . 1 1 96 96 GLU CA C 754 58.489 58.489 58.796 -0.307 18182 549 1 . 1 1 96 96 GLU CB C 754 29.677 29.677 29.283 0.394 18182 550 1 . 1 1 96 96 GLU H H 754 7.197 7.197 8.012 -0.815 18182 551 1 . 1 1 97 97 SER N N 755 113.390 113.390 113.742 -0.352 18182 552 1 . 1 1 97 97 SER HA H 755 4.583 4.583 4.335 0.248 18182 553 1 . 1 1 97 97 SER C C 755 171.185 171.185 174.662 -3.477 18182 554 1 . 1 1 97 97 SER CA C 755 59.569 59.569 59.854 -0.285 18182 555 1 . 1 1 97 97 SER CB C 755 66.435 66.435 64.243 2.192 18182 556 1 . 1 1 97 97 SER H H 755 7.857 7.857 7.858 -0.001 18182 557 1 . 1 1 98 98 PHE N N 756 121.328 121.328 121.566 -0.238 18182 558 1 . 1 1 98 98 PHE HA H 756 4.765 4.765 4.773 -0.008 18182 559 1 . 1 1 98 98 PHE C C 756 175.774 175.774 175.826 -0.052 18182 560 1 . 1 1 98 98 PHE CA C 756 56.871 56.871 56.251 0.620 18182 561 1 . 1 1 98 98 PHE CB C 756 39.711 39.711 38.603 1.108 18182 562 1 . 1 1 98 98 PHE H H 756 8.409 8.409 8.307 0.102 18182 563 1 . 1 1 99 99 LYS N N 757 121.656 121.656 125.007 -3.351 18182 564 1 . 1 1 99 99 LYS HA H 757 4.113 4.113 4.155 -0.042 18182 565 1 . 1 1 99 99 LYS C C 757 177.188 177.188 177.573 -0.385 18182 566 1 . 1 1 99 99 LYS CA C 757 59.736 59.736 59.094 0.642 18182 567 1 . 1 1 99 99 LYS CB C 757 32.356 32.356 32.177 0.179 18182 568 1 . 1 1 99 99 LYS H H 757 8.602 8.602 8.733 -0.131 18182 569 1 . 1 1 100 100 GLN N N 758 115.783 115.783 117.297 -1.514 18182 570 1 . 1 1 100 100 GLN HA H 758 4.383 4.383 4.244 0.139 18182 571 1 . 1 1 100 100 GLN C C 758 175.849 175.849 176.259 -0.410 18182 572 1 . 1 1 100 100 GLN CA C 758 55.832 55.832 57.417 -1.585 18182 573 1 . 1 1 100 100 GLN CB C 758 28.317 28.317 29.000 -0.683 18182 574 1 . 1 1 100 100 GLN H H 758 9.139 9.139 8.416 0.723 18182 575 1 . 1 1 101 101 LEU N N 759 124.876 124.876 119.462 5.414 18182 576 1 . 1 1 101 101 LEU HA H 759 3.692 3.692 4.570 -0.878 18182 577 1 . 1 1 101 101 LEU C C 759 173.219 173.219 175.410 -2.191 18182 578 1 . 1 1 101 101 LEU CA C 759 52.448 52.448 54.662 -2.214 18182 579 1 . 1 1 101 101 LEU CB C 759 41.988 41.988 43.785 -1.797 18182 580 1 . 1 1 101 101 LEU H H 759 7.924 7.924 7.675 0.249 18182 581 1 . 1 1 102 102 ASP N N 760 119.263 119.263 118.194 1.069 18182 582 1 . 1 1 102 102 ASP HA H 760 4.567 4.567 4.736 -0.169 18182 583 1 . 1 1 102 102 ASP C C 760 173.570 173.570 174.428 -0.858 18182 584 1 . 1 1 102 102 ASP CA C 760 51.875 51.875 53.742 -1.867 18182 585 1 . 1 1 102 102 ASP CB C 760 39.029 39.029 41.892 -2.863 18182 586 1 . 1 1 102 102 ASP H H 760 6.564 6.564 8.033 -1.469 18182 587 1 . 1 1 103 103 THR N N 761 117.311 117.311 113.379 3.932 18182 588 1 . 1 1 103 103 THR HA H 761 4.701 4.701 4.411 0.290 18182 589 1 . 1 1 103 103 THR C C 761 172.169 172.169 172.734 -0.565 18182 590 1 . 1 1 103 103 THR CA C 761 60.491 60.491 59.981 0.510 18182 591 1 . 1 1 103 103 THR CB C 761 69.358 69.358 70.074 -0.716 18182 592 1 . 1 1 103 103 THR H H 761 7.699 7.699 7.412 0.287 18182 593 1 . 1 1 104 104 THR N N 762 114.211 114.211 113.538 0.672 18182 594 1 . 1 1 104 104 THR HA H 762 4.603 4.603 4.480 0.123 18182 595 1 . 1 1 104 104 THR C C 762 175.647 175.647 173.559 2.088 18182 596 1 . 1 1 104 104 THR CA C 762 60.899 60.899 59.977 0.922 18182 597 1 . 1 1 104 104 THR CB C 762 70.981 70.981 71.611 -0.630 18182 598 1 . 1 1 104 104 THR H H 762 7.300 7.300 8.029 -0.729 18182 599 1 . 1 1 105 105 LEU N N 763 117.640 117.640 121.639 -3.999 18182 600 1 . 1 1 105 105 LEU HA H 763 3.523 3.523 3.778 -0.255 18182 601 1 . 1 1 105 105 LEU C C 763 174.500 174.500 176.317 -1.817 18182 602 1 . 1 1 105 105 LEU CA C 763 54.155 54.155 54.990 -0.835 18182 603 1 . 1 1 105 105 LEU CB C 763 35.747 35.747 39.812 -4.065 18182 604 1 . 1 1 105 105 LEU H H 763 8.113 8.113 8.360 -0.247 18182 605 1 . 1 1 106 106 LYS N N 764 127.345 127.345 123.874 3.471 18182 606 1 . 1 1 106 106 LYS HA H 764 4.011 4.011 4.180 -0.169 18182 607 1 . 1 1 106 106 LYS C C 764 176.781 176.781 176.349 0.432 18182 608 1 . 1 1 106 106 LYS CA C 764 59.888 59.888 56.922 2.966 18182 609 1 . 1 1 106 106 LYS CB C 764 35.223 35.223 34.477 0.746 18182 610 1 . 1 1 106 106 LYS H H 764 7.181 7.181 8.111 -0.930 18182 611 1 . 1 1 107 107 TYR N N 765 115.756 115.756 118.070 -2.314 18182 612 1 . 1 1 107 107 TYR HA H 765 5.521 5.521 4.994 0.527 18182 613 1 . 1 1 107 107 TYR C C 765 172.106 172.106 172.910 -0.804 18182 614 1 . 1 1 107 107 TYR CA C 765 52.621 52.621 55.210 -2.589 18182 615 1 . 1 1 107 107 TYR CB C 765 40.518 40.518 38.872 1.646 18182 616 1 . 1 1 107 107 TYR H H 765 7.877 7.877 7.892 -0.015 18182 617 1 . 1 1 108 108 PRO HA H 766 3.673 3.673 4.224 -0.551 18182 618 1 . 1 1 108 108 PRO C C 766 180.696 180.696 176.698 3.998 18182 619 1 . 1 1 108 108 PRO CA C 766 62.611 62.611 61.877 0.734 18182 620 1 . 1 1 109 109 TYR N N 767 122.570 122.570 115.040 7.530 18182 621 1 . 1 1 109 109 TYR HA H 767 3.817 3.817 4.171 -0.354 18182 622 1 . 1 1 109 109 TYR C C 767 174.769 174.769 176.977 -2.208 18182 623 1 . 1 1 109 109 TYR CA C 767 61.183 61.183 59.909 1.274 18182 624 1 . 1 1 109 109 TYR CB C 767 37.467 37.467 37.992 -0.525 18182 625 1 . 1 1 109 109 TYR H H 767 8.341 8.341 8.144 0.197 18182 626 1 . 1 1 110 110 LYS N N 768 118.398 118.398 118.531 -0.133 18182 627 1 . 1 1 110 110 LYS HA H 768 3.942 3.942 4.070 -0.128 18182 628 1 . 1 1 110 110 LYS C C 768 176.453 176.453 176.579 -0.126 18182 629 1 . 1 1 110 110 LYS CA C 768 56.901 56.901 57.294 -0.393 18182 630 1 . 1 1 110 110 LYS CB C 768 32.581 32.581 32.338 0.243 18182 631 1 . 1 1 110 110 LYS H H 768 6.790 6.790 7.100 -0.310 18182 632 1 . 1 1 111 111 SER N N 769 114.260 114.260 113.554 0.706 18182 633 1 . 1 1 111 111 SER HA H 769 4.384 4.384 4.235 0.149 18182 634 1 . 1 1 111 111 SER C C 769 174.124 174.124 173.813 0.311 18182 635 1 . 1 1 111 111 SER CA C 769 58.802 58.802 58.880 -0.078 18182 636 1 . 1 1 111 111 SER CB C 769 64.206 64.206 62.917 1.289 18182 637 1 . 1 1 111 111 SER H H 769 7.769 7.769 7.994 -0.225 18182 638 1 . 1 1 112 112 ARG N N 770 122.485 122.485 122.348 0.137 18182 639 1 . 1 1 112 112 ARG HA H 770 4.378 4.378 4.411 -0.033 18182 640 1 . 1 1 112 112 ARG C C 770 175.139 175.139 175.685 -0.546 18182 641 1 . 1 1 112 112 ARG CA C 770 55.628 55.628 55.893 -0.265 18182 642 1 . 1 1 112 112 ARG CB C 770 30.935 30.935 30.667 0.268 18182 643 1 . 1 1 112 112 ARG H H 770 8.109 8.109 8.267 -0.158 18182 stop_ save_