data_18183 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18183 _Entry.PDB_ID 2LNX 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 18183 _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 660 123.546 123.546 123.810 -0.264 18183 2 1 1 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.769 -0.193 18183 3 1 1 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.219 -0.369 18183 4 1 1 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.790 -0.443 18183 5 1 1 . 1 1 2 2 ARG H H 660 8.258 8.258 8.517 -0.259 18183 6 1 1 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.382 -0.026 18183 7 1 1 . 1 1 4 4 PRO C C 662 177.047 177.047 176.726 0.321 18183 8 1 1 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.942 0.279 18183 9 1 1 . 1 1 4 4 PRO CB C 662 31.975 31.975 31.936 0.040 18183 10 1 1 . 1 1 5 5 SER N N 663 116.108 116.108 112.841 3.267 18183 11 1 1 . 1 1 5 5 SER HA H 663 4.335 4.335 4.200 0.135 18183 12 1 1 . 1 1 5 5 SER C C 663 174.708 174.708 173.698 1.010 18183 13 1 1 . 1 1 5 5 SER CA C 663 58.639 58.639 59.976 -1.337 18183 14 1 1 . 1 1 5 5 SER CB C 663 63.849 63.849 61.901 1.948 18183 15 1 1 . 1 1 5 5 SER H H 663 8.385 8.385 8.540 -0.155 18183 16 1 1 . 1 1 6 6 ARG N N 664 122.132 122.132 116.177 5.955 18183 17 1 1 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.577 -0.258 18183 18 1 1 . 1 1 6 6 ARG C C 664 175.951 175.951 174.235 1.716 18183 19 1 1 . 1 1 6 6 ARG CA C 664 55.931 55.931 55.177 0.754 18183 20 1 1 . 1 1 6 6 ARG CB C 664 30.832 30.832 31.403 -0.571 18183 21 1 1 . 1 1 6 6 ARG H H 664 8.347 8.347 7.594 0.753 18183 22 1 1 . 1 1 7 7 GLU N N 665 122.268 122.268 119.087 3.181 18183 23 1 1 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.726 -0.464 18183 24 1 1 . 1 1 7 7 GLU C C 665 175.809 175.809 175.399 0.410 18183 25 1 1 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.256 0.914 18183 26 1 1 . 1 1 7 7 GLU CB C 665 29.908 29.908 31.553 -1.645 18183 27 1 1 . 1 1 7 7 GLU H H 665 8.336 8.336 8.439 -0.103 18183 28 1 1 . 1 1 8 8 ILE N N 666 123.984 123.984 122.045 1.939 18183 29 1 1 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.075 -0.295 18183 30 1 1 . 1 1 8 8 ILE C C 666 174.325 174.325 175.669 -1.344 18183 31 1 1 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.440 0.369 18183 32 1 1 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.663 0.570 18183 33 1 1 . 1 1 8 8 ILE H H 666 7.920 7.920 8.289 -0.369 18183 34 1 1 . 1 1 9 9 ASP N N 667 124.228 124.228 127.669 -3.441 18183 35 1 1 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.547 0.021 18183 36 1 1 . 1 1 9 9 ASP C C 667 177.001 177.001 176.278 0.723 18183 37 1 1 . 1 1 9 9 ASP CA C 667 51.991 51.991 54.312 -2.321 18183 38 1 1 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.056 1.254 18183 39 1 1 . 1 1 9 9 ASP H H 667 8.072 8.072 8.661 -0.589 18183 40 1 1 . 1 1 10 10 TYR N N 668 125.329 125.329 120.821 4.508 18183 41 1 1 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.203 -0.075 18183 42 1 1 . 1 1 10 10 TYR C C 668 175.901 175.901 176.967 -1.066 18183 43 1 1 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.762 -0.205 18183 44 1 1 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.383 -1.217 18183 45 1 1 . 1 1 10 10 TYR H H 668 8.493 8.493 7.677 0.816 18183 46 1 1 . 1 1 11 11 THR N N 669 108.533 108.533 112.303 -3.770 18183 47 1 1 . 1 1 11 11 THR HA H 669 4.082 4.082 3.897 0.185 18183 48 1 1 . 1 1 11 11 THR C C 669 175.170 175.170 175.341 -0.171 18183 49 1 1 . 1 1 11 11 THR CA C 669 64.701 64.701 64.242 0.459 18183 50 1 1 . 1 1 11 11 THR CB C 669 68.924 68.924 67.809 1.115 18183 51 1 1 . 1 1 11 11 THR H H 669 7.948 7.948 7.824 0.124 18183 52 1 1 . 1 1 12 12 ALA N N 670 121.252 121.252 123.527 -2.275 18183 53 1 1 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.000 0.023 18183 54 1 1 . 1 1 12 12 ALA C C 670 177.747 177.747 177.724 0.023 18183 55 1 1 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.933 -0.434 18183 56 1 1 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.541 0.686 18183 57 1 1 . 1 1 12 12 ALA H H 670 7.366 7.366 7.150 0.216 18183 58 1 1 . 1 1 13 13 TYR N N 671 117.895 117.895 117.491 0.404 18183 59 1 1 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.102 0.150 18183 60 1 1 . 1 1 13 13 TYR C C 671 176.545 176.545 176.182 0.363 18183 61 1 1 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.308 0.164 18183 62 1 1 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.064 -0.505 18183 63 1 1 . 1 1 13 13 TYR H H 671 7.490 7.490 7.086 0.404 18183 64 1 1 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.204 0.096 18183 65 1 1 . 1 1 14 14 PRO C C 672 173.638 173.638 175.672 -2.034 18183 66 1 1 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.130 -0.379 18183 67 1 1 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.208 -0.964 18183 68 1 1 . 1 1 15 15 TRP N N 673 109.940 109.940 113.475 -3.535 18183 69 1 1 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.811 -0.105 18183 70 1 1 . 1 1 15 15 TRP C C 673 175.471 175.471 174.687 0.784 18183 71 1 1 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.918 -2.068 18183 72 1 1 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.442 3.994 18183 73 1 1 . 1 1 15 15 TRP H H 673 6.184 6.184 6.844 -0.660 18183 74 1 1 . 1 1 16 16 PHE N N 674 123.228 123.228 123.053 0.175 18183 75 1 1 . 1 1 16 16 PHE HA H 674 5.101 5.101 5.258 -0.157 18183 76 1 1 . 1 1 16 16 PHE C C 674 174.684 174.684 173.667 1.017 18183 77 1 1 . 1 1 16 16 PHE CA C 674 59.566 59.566 56.853 2.713 18183 78 1 1 . 1 1 16 16 PHE CB C 674 39.968 39.968 41.909 -1.941 18183 79 1 1 . 1 1 16 16 PHE H H 674 7.585 7.585 7.579 0.006 18183 80 1 1 . 1 1 17 17 ALA N N 675 130.573 130.573 129.987 0.586 18183 81 1 1 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.955 -0.113 18183 82 1 1 . 1 1 17 17 ALA C C 675 177.161 177.161 175.985 1.176 18183 83 1 1 . 1 1 17 17 ALA CA C 675 51.168 51.168 50.527 0.641 18183 84 1 1 . 1 1 17 17 ALA CB C 675 21.968 21.968 20.196 1.772 18183 85 1 1 . 1 1 17 17 ALA H H 675 9.004 9.004 8.572 0.432 18183 86 1 1 . 1 1 18 18 GLY C C 676 174.000 174.000 174.477 -0.477 18183 87 1 1 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.717 1.773 18183 88 1 1 . 1 1 19 19 ASN N N 677 124.182 124.182 121.186 2.996 18183 89 1 1 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.378 0.628 18183 90 1 1 . 1 1 19 19 ASN C C 677 174.916 174.916 173.802 1.114 18183 91 1 1 . 1 1 19 19 ASN CA C 677 52.605 52.605 54.095 -1.490 18183 92 1 1 . 1 1 19 19 ASN CB C 677 37.065 37.065 38.218 -1.153 18183 93 1 1 . 1 1 19 19 ASN H H 677 8.657 8.657 8.471 0.186 18183 94 1 1 . 1 1 20 20 MET N N 678 122.806 122.806 119.846 2.960 18183 95 1 1 . 1 1 20 20 MET HA H 678 4.173 4.173 4.726 -0.553 18183 96 1 1 . 1 1 20 20 MET C C 678 175.317 175.317 175.836 -0.519 18183 97 1 1 . 1 1 20 20 MET CA C 678 56.274 56.274 54.318 1.956 18183 98 1 1 . 1 1 20 20 MET CB C 678 35.581 35.581 34.961 0.620 18183 99 1 1 . 1 1 20 20 MET H H 678 7.158 7.158 7.906 -0.748 18183 100 1 1 . 1 1 21 21 GLU N N 679 124.655 124.655 122.713 1.942 18183 101 1 1 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.475 -0.274 18183 102 1 1 . 1 1 21 21 GLU C C 679 178.105 178.105 176.997 1.108 18183 103 1 1 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.503 0.513 18183 104 1 1 . 1 1 21 21 GLU CB C 679 30.890 30.890 31.134 -0.244 18183 105 1 1 . 1 1 21 21 GLU H H 679 8.687 8.687 8.647 0.040 18183 106 1 1 . 1 1 22 22 ARG N N 680 125.764 125.764 122.374 3.390 18183 107 1 1 . 1 1 22 22 ARG HA H 680 3.280 3.280 4.025 -0.745 18183 108 1 1 . 1 1 22 22 ARG C C 680 177.559 177.559 178.454 -0.895 18183 109 1 1 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.060 0.994 18183 110 1 1 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.182 -0.314 18183 111 1 1 . 1 1 22 22 ARG H H 680 9.191 9.191 8.765 0.426 18183 112 1 1 . 1 1 23 23 GLN N N 681 118.109 118.109 118.365 -0.256 18183 113 1 1 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.169 -0.176 18183 114 1 1 . 1 1 23 23 GLN C C 681 178.252 178.252 178.308 -0.056 18183 115 1 1 . 1 1 23 23 GLN CA C 681 59.599 59.599 58.961 0.638 18183 116 1 1 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.712 0.053 18183 117 1 1 . 1 1 23 23 GLN H H 681 9.085 9.085 8.556 0.529 18183 118 1 1 . 1 1 24 24 GLN N N 682 118.128 118.128 117.423 0.705 18183 119 1 1 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.059 -0.008 18183 120 1 1 . 1 1 24 24 GLN C C 682 178.328 178.328 178.578 -0.250 18183 121 1 1 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.229 -0.464 18183 122 1 1 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.448 -0.216 18183 123 1 1 . 1 1 24 24 GLN H H 682 7.287 7.287 8.557 -1.270 18183 124 1 1 . 1 1 25 25 THR N N 683 116.436 116.436 116.418 0.018 18183 125 1 1 . 1 1 25 25 THR HA H 683 3.641 3.641 3.850 -0.209 18183 126 1 1 . 1 1 25 25 THR CA C 683 67.504 67.504 67.369 0.135 18183 127 1 1 . 1 1 25 25 THR CB C 683 67.667 67.667 68.429 -0.762 18183 128 1 1 . 1 1 25 25 THR H H 683 7.813 7.813 7.991 -0.178 18183 129 1 1 . 1 1 26 26 ASP N N 684 123.084 123.084 120.828 2.256 18183 130 1 1 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.393 -0.165 18183 131 1 1 . 1 1 26 26 ASP C C 684 178.426 178.426 177.284 1.142 18183 132 1 1 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.238 0.782 18183 133 1 1 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.149 -1.323 18183 134 1 1 . 1 1 26 26 ASP H H 684 8.384 8.384 7.581 0.803 18183 135 1 1 . 1 1 27 27 ASN N N 685 116.068 116.068 117.287 -1.219 18183 136 1 1 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.554 -0.235 18183 137 1 1 . 1 1 27 27 ASN C C 685 177.207 177.207 177.965 -0.758 18183 138 1 1 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.017 0.730 18183 139 1 1 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.480 -0.283 18183 140 1 1 . 1 1 27 27 ASN H H 685 7.667 7.667 7.853 -0.186 18183 141 1 1 . 1 1 28 28 LEU N N 686 120.906 120.906 120.129 0.777 18183 142 1 1 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.212 -0.043 18183 143 1 1 . 1 1 28 28 LEU C C 686 179.394 179.394 177.955 1.439 18183 144 1 1 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.304 0.517 18183 145 1 1 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.095 0.597 18183 146 1 1 . 1 1 28 28 LEU H H 686 7.993 7.993 7.805 0.188 18183 147 1 1 . 1 1 29 29 LEU N N 687 114.941 114.941 113.195 1.746 18183 148 1 1 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.590 -0.539 18183 149 1 1 . 1 1 29 29 LEU C C 687 178.742 178.742 176.319 2.423 18183 150 1 1 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.180 2.257 18183 151 1 1 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.991 1.851 18183 152 1 1 . 1 1 29 29 LEU H H 687 8.166 8.166 7.544 0.622 18183 153 1 1 . 1 1 30 30 LYS N N 688 118.446 118.446 117.517 0.929 18183 154 1 1 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.138 -0.425 18183 155 1 1 . 1 1 30 30 LYS C C 688 177.260 177.260 177.537 -0.277 18183 156 1 1 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.253 2.225 18183 157 1 1 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.360 -0.276 18183 158 1 1 . 1 1 30 30 LYS H H 688 7.635 7.635 7.496 0.139 18183 159 1 1 . 1 1 31 31 SER N N 689 111.039 111.039 112.975 -1.936 18183 160 1 1 . 1 1 31 31 SER HA H 689 4.417 4.417 4.500 -0.083 18183 161 1 1 . 1 1 31 31 SER C C 689 174.495 174.495 174.703 -0.208 18183 162 1 1 . 1 1 31 31 SER CA C 689 58.387 58.387 58.044 0.343 18183 163 1 1 . 1 1 31 31 SER CB C 689 63.281 63.281 63.824 -0.543 18183 164 1 1 . 1 1 31 31 SER H H 689 7.709 7.709 8.085 -0.376 18183 165 1 1 . 1 1 32 32 HIS N N 690 120.253 120.253 121.214 -0.961 18183 166 1 1 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.534 0.042 18183 167 1 1 . 1 1 32 32 HIS C C 690 173.913 173.913 174.756 -0.843 18183 168 1 1 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.360 -1.284 18183 169 1 1 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.800 1.053 18183 170 1 1 . 1 1 32 32 HIS H H 690 7.647 7.647 8.078 -0.431 18183 171 1 1 . 1 1 33 33 ALA N N 691 120.403 120.403 124.032 -3.629 18183 172 1 1 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.637 -0.359 18183 173 1 1 . 1 1 33 33 ALA C C 691 179.503 179.503 176.949 2.554 18183 174 1 1 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.373 0.345 18183 175 1 1 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.802 -0.533 18183 176 1 1 . 1 1 33 33 ALA H H 691 8.452 8.452 8.745 -0.293 18183 177 1 1 . 1 1 34 34 SER N N 692 117.464 117.464 116.009 1.455 18183 178 1 1 . 1 1 34 34 SER HA H 692 4.047 4.047 4.571 -0.524 18183 179 1 1 . 1 1 34 34 SER C C 692 175.307 175.307 174.727 0.580 18183 180 1 1 . 1 1 34 34 SER CA C 692 60.434 60.434 59.361 1.073 18183 181 1 1 . 1 1 34 34 SER CB C 692 63.132 63.132 61.117 2.015 18183 182 1 1 . 1 1 34 34 SER H H 692 9.002 9.002 8.810 0.192 18183 183 1 1 . 1 1 35 35 GLY N N 693 113.364 113.364 110.670 2.694 18183 184 1 1 . 1 1 35 35 GLY C C 693 174.739 174.739 172.627 2.112 18183 185 1 1 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.791 -0.941 18183 186 1 1 . 1 1 35 35 GLY H H 693 9.873 9.873 8.529 1.344 18183 187 1 1 . 1 1 36 36 THR N N 694 120.932 120.932 118.775 2.157 18183 188 1 1 . 1 1 36 36 THR HA H 694 5.923 5.923 5.725 0.198 18183 189 1 1 . 1 1 36 36 THR C C 694 173.253 173.253 173.358 -0.105 18183 190 1 1 . 1 1 36 36 THR CA C 694 63.429 63.429 60.720 2.709 18183 191 1 1 . 1 1 36 36 THR CB C 694 68.091 68.091 70.260 -2.169 18183 192 1 1 . 1 1 36 36 THR H H 694 8.240 8.240 7.517 0.723 18183 193 1 1 . 1 1 37 37 TYR N N 695 123.567 123.567 124.471 -0.904 18183 194 1 1 . 1 1 37 37 TYR HA H 695 5.976 5.976 4.997 0.979 18183 195 1 1 . 1 1 37 37 TYR C C 695 171.737 171.737 173.003 -1.266 18183 196 1 1 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.903 0.332 18183 197 1 1 . 1 1 37 37 TYR CB C 695 44.289 44.289 40.907 3.382 18183 198 1 1 . 1 1 37 37 TYR H H 695 8.765 8.765 8.591 0.174 18183 199 1 1 . 1 1 38 38 LEU N N 696 115.294 115.294 117.907 -2.613 18183 200 1 1 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.169 -0.066 18183 201 1 1 . 1 1 38 38 LEU C C 696 174.368 174.368 174.651 -0.283 18183 202 1 1 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.496 -0.664 18183 203 1 1 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.627 0.667 18183 204 1 1 . 1 1 38 38 LEU H H 696 9.008 9.008 7.945 1.063 18183 205 1 1 . 1 1 39 39 ILE N N 697 122.087 122.087 122.092 -0.005 18183 206 1 1 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.691 0.602 18183 207 1 1 . 1 1 39 39 ILE C C 697 173.625 173.625 175.245 -1.620 18183 208 1 1 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.234 -0.428 18183 209 1 1 . 1 1 39 39 ILE CB C 697 38.766 38.766 39.527 -0.761 18183 210 1 1 . 1 1 39 39 ILE H H 697 9.276 9.276 8.699 0.577 18183 211 1 1 . 1 1 40 40 ARG N N 698 123.307 123.307 125.640 -2.333 18183 212 1 1 . 1 1 40 40 ARG HA H 698 5.144 5.144 5.194 -0.050 18183 213 1 1 . 1 1 40 40 ARG C C 698 173.789 173.789 175.777 -1.988 18183 214 1 1 . 1 1 40 40 ARG CA C 698 52.171 52.171 54.013 -1.842 18183 215 1 1 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.006 0.420 18183 216 1 1 . 1 1 40 40 ARG H H 698 9.032 9.032 8.672 0.360 18183 217 1 1 . 1 1 41 41 GLU N N 699 122.502 122.502 120.393 2.109 18183 218 1 1 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.716 0.275 18183 219 1 1 . 1 1 41 41 GLU C C 699 175.788 175.788 174.349 1.439 18183 220 1 1 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.969 -1.130 18183 221 1 1 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.286 0.637 18183 222 1 1 . 1 1 41 41 GLU H H 699 8.453 8.453 8.471 -0.018 18183 223 1 1 . 1 1 42 42 ARG N N 700 125.039 125.039 125.927 -0.888 18183 224 1 1 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.752 -0.098 18183 225 1 1 . 1 1 42 42 ARG H H 700 8.844 8.844 8.260 0.584 18183 226 1 1 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.413 -0.198 18183 227 1 1 . 1 1 43 43 PRO C C 701 176.485 176.485 175.312 1.173 18183 228 1 1 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.002 1.028 18183 229 1 1 . 1 1 43 43 PRO CB C 701 31.450 31.450 30.981 0.469 18183 230 1 1 . 1 1 44 44 ALA N N 702 120.718 120.718 127.745 -7.027 18183 231 1 1 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.609 -0.366 18183 232 1 1 . 1 1 44 44 ALA C C 702 176.924 176.924 177.695 -0.771 18183 233 1 1 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.276 0.792 18183 234 1 1 . 1 1 44 44 ALA CB C 702 19.427 19.427 21.514 -2.087 18183 235 1 1 . 1 1 44 44 ALA H H 702 8.217 8.217 7.688 0.529 18183 236 1 1 . 1 1 45 45 GLU N N 703 118.107 118.107 121.749 -3.642 18183 237 1 1 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.124 0.181 18183 238 1 1 . 1 1 45 45 GLU C C 703 176.308 176.308 177.332 -1.024 18183 239 1 1 . 1 1 45 45 GLU H H 703 7.638 7.638 8.959 -1.321 18183 240 1 1 . 1 1 46 46 ALA N N 704 122.161 122.161 122.356 -0.195 18183 241 1 1 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.374 -0.239 18183 242 1 1 . 1 1 46 46 ALA C C 704 178.439 178.439 177.958 0.481 18183 243 1 1 . 1 1 46 46 ALA H H 704 8.596 8.596 7.662 0.934 18183 244 1 1 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.382 0.264 18183 245 1 1 . 1 1 47 47 GLU C C 705 175.340 175.340 176.006 -0.666 18183 246 1 1 . 1 1 47 47 GLU H H 705 7.642 7.642 8.413 -0.771 18183 247 1 1 . 1 1 48 48 ARG N N 706 122.871 122.871 124.020 -1.149 18183 248 1 1 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.062 0.578 18183 249 1 1 . 1 1 48 48 ARG C C 706 175.645 175.645 175.578 0.067 18183 250 1 1 . 1 1 48 48 ARG H H 706 8.163 8.163 8.430 -0.267 18183 251 1 1 . 1 1 49 49 PHE N N 707 113.719 113.719 113.532 0.187 18183 252 1 1 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.681 1.103 18183 253 1 1 . 1 1 49 49 PHE C C 707 174.536 174.536 173.903 0.633 18183 254 1 1 . 1 1 49 49 PHE H H 707 8.370 8.370 7.593 0.777 18183 255 1 1 . 1 1 50 50 ALA N N 708 119.650 119.650 121.690 -2.040 18183 256 1 1 . 1 1 50 50 ALA HA H 708 5.120 5.120 4.963 0.157 18183 257 1 1 . 1 1 50 50 ALA C C 708 175.964 175.964 175.213 0.751 18183 258 1 1 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.335 0.678 18183 259 1 1 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.778 -0.898 18183 260 1 1 . 1 1 50 50 ALA H H 708 8.868 8.868 8.232 0.636 18183 261 1 1 . 1 1 51 51 ILE N N 709 121.077 121.077 118.512 2.565 18183 262 1 1 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.650 -0.003 18183 263 1 1 . 1 1 51 51 ILE C C 709 175.049 175.049 175.015 0.034 18183 264 1 1 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.146 0.353 18183 265 1 1 . 1 1 51 51 ILE CB C 709 39.996 39.996 42.134 -2.138 18183 266 1 1 . 1 1 51 51 ILE H H 709 9.130 9.130 8.350 0.780 18183 267 1 1 . 1 1 52 52 SER N N 710 125.122 125.122 119.358 5.764 18183 268 1 1 . 1 1 52 52 SER HA H 710 5.454 5.454 5.098 0.356 18183 269 1 1 . 1 1 52 52 SER C C 710 172.024 172.024 172.964 -0.940 18183 270 1 1 . 1 1 52 52 SER CA C 710 57.614 57.614 57.659 -0.045 18183 271 1 1 . 1 1 52 52 SER CB C 710 64.989 64.989 64.674 0.315 18183 272 1 1 . 1 1 52 52 SER H H 710 9.204 9.204 8.607 0.597 18183 273 1 1 . 1 1 53 53 ILE N N 711 121.512 121.512 125.053 -3.541 18183 274 1 1 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.988 0.151 18183 275 1 1 . 1 1 53 53 ILE C C 711 173.093 173.093 173.666 -0.573 18183 276 1 1 . 1 1 53 53 ILE CA C 711 57.633 57.633 58.680 -1.047 18183 277 1 1 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.351 0.472 18183 278 1 1 . 1 1 53 53 ILE H H 711 8.825 8.825 8.015 0.810 18183 279 1 1 . 1 1 54 54 LYS N N 712 128.814 128.814 123.609 5.205 18183 280 1 1 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.318 -0.563 18183 281 1 1 . 1 1 54 54 LYS C C 712 174.850 174.850 175.182 -0.332 18183 282 1 1 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.490 -0.245 18183 283 1 1 . 1 1 54 54 LYS CB C 712 33.334 33.334 35.285 -1.951 18183 284 1 1 . 1 1 54 54 LYS H H 712 8.863 8.863 8.330 0.533 18183 285 1 1 . 1 1 55 55 PHE N N 713 130.119 130.119 125.025 5.094 18183 286 1 1 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.662 0.206 18183 287 1 1 . 1 1 55 55 PHE C C 713 174.223 174.223 173.973 0.250 18183 288 1 1 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.910 0.239 18183 289 1 1 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.246 -1.644 18183 290 1 1 . 1 1 55 55 PHE H H 713 9.373 9.373 9.035 0.338 18183 291 1 1 . 1 1 56 56 ASN N N 714 125.766 125.766 123.774 1.992 18183 292 1 1 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.154 -0.256 18183 293 1 1 . 1 1 56 56 ASN C C 714 173.945 173.945 174.105 -0.160 18183 294 1 1 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.777 1.229 18183 295 1 1 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.671 -1.709 18183 296 1 1 . 1 1 56 56 ASN H H 714 8.364 8.364 8.514 -0.150 18183 297 1 1 . 1 1 57 57 ASP N N 715 117.708 117.708 114.570 3.138 18183 298 1 1 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.233 0.318 18183 299 1 1 . 1 1 57 57 ASP C C 715 174.766 174.766 174.814 -0.048 18183 300 1 1 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.973 -0.928 18183 301 1 1 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.380 0.197 18183 302 1 1 . 1 1 57 57 ASP H H 715 8.536 8.536 8.366 0.170 18183 303 1 1 . 1 1 58 58 GLU N N 716 118.715 118.715 115.359 3.356 18183 304 1 1 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.620 0.045 18183 305 1 1 . 1 1 58 58 GLU C C 716 173.786 173.786 174.622 -0.836 18183 306 1 1 . 1 1 58 58 GLU CA C 716 54.942 54.942 54.903 0.039 18183 307 1 1 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.418 -0.255 18183 308 1 1 . 1 1 58 58 GLU H H 716 7.873 7.873 7.611 0.262 18183 309 1 1 . 1 1 59 59 VAL N N 717 120.798 120.798 123.585 -2.787 18183 310 1 1 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.602 -0.229 18183 311 1 1 . 1 1 59 59 VAL C C 717 175.325 175.325 175.592 -0.267 18183 312 1 1 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.831 0.108 18183 313 1 1 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.918 0.099 18183 314 1 1 . 1 1 59 59 VAL H H 717 8.473 8.473 8.671 -0.198 18183 315 1 1 . 1 1 60 60 LYS N N 718 127.136 127.136 127.642 -0.506 18183 316 1 1 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.629 -0.198 18183 317 1 1 . 1 1 60 60 LYS C C 718 174.439 174.439 174.637 -0.198 18183 318 1 1 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.552 -1.743 18183 319 1 1 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.621 -1.516 18183 320 1 1 . 1 1 60 60 LYS H H 718 8.903 8.903 8.420 0.483 18183 321 1 1 . 1 1 61 61 HIS N N 719 119.956 119.956 118.798 1.158 18183 322 1 1 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.211 0.012 18183 323 1 1 . 1 1 61 61 HIS C C 719 175.173 175.173 174.433 0.740 18183 324 1 1 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.888 0.272 18183 325 1 1 . 1 1 61 61 HIS CB C 719 32.882 32.882 32.193 0.689 18183 326 1 1 . 1 1 61 61 HIS H H 719 8.422 8.422 8.472 -0.050 18183 327 1 1 . 1 1 62 62 ILE N N 720 126.629 126.629 124.781 1.848 18183 328 1 1 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.410 -0.274 18183 329 1 1 . 1 1 62 62 ILE C C 720 175.372 175.372 175.435 -0.063 18183 330 1 1 . 1 1 62 62 ILE CA C 720 59.976 59.976 59.116 0.860 18183 331 1 1 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.482 1.546 18183 332 1 1 . 1 1 62 62 ILE H H 720 9.646 9.646 8.934 0.712 18183 333 1 1 . 1 1 63 63 LYS N N 721 127.276 127.276 124.583 2.693 18183 334 1 1 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.530 -0.303 18183 335 1 1 . 1 1 63 63 LYS C C 721 174.877 174.877 175.365 -0.488 18183 336 1 1 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.759 1.781 18183 337 1 1 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.653 -0.604 18183 338 1 1 . 1 1 63 63 LYS H H 721 8.741 8.741 8.614 0.127 18183 339 1 1 . 1 1 64 64 VAL N N 722 123.343 123.343 124.780 -1.437 18183 340 1 1 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.467 -0.294 18183 341 1 1 . 1 1 64 64 VAL C C 722 174.522 174.522 174.447 0.075 18183 342 1 1 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.943 0.552 18183 343 1 1 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.227 -2.835 18183 344 1 1 . 1 1 64 64 VAL H H 722 8.166 8.166 8.074 0.092 18183 345 1 1 . 1 1 65 65 VAL N N 723 127.934 127.934 125.444 2.490 18183 346 1 1 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.385 -0.239 18183 347 1 1 . 1 1 65 65 VAL C C 723 174.212 174.212 174.803 -0.591 18183 348 1 1 . 1 1 65 65 VAL CA C 723 61.751 61.751 59.927 1.824 18183 349 1 1 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.939 -0.660 18183 350 1 1 . 1 1 65 65 VAL H H 723 8.469 8.469 7.758 0.711 18183 351 1 1 . 1 1 66 66 GLU N N 724 125.632 125.632 126.366 -0.734 18183 352 1 1 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.340 -0.184 18183 353 1 1 . 1 1 66 66 GLU C C 724 175.573 175.573 175.358 0.215 18183 354 1 1 . 1 1 66 66 GLU CA C 724 54.557 54.557 54.963 -0.406 18183 355 1 1 . 1 1 66 66 GLU CB C 724 32.441 32.441 32.449 -0.008 18183 356 1 1 . 1 1 66 66 GLU H H 724 8.518 8.518 8.627 -0.109 18183 357 1 1 . 1 1 67 67 LYS N N 725 125.857 125.857 125.802 0.055 18183 358 1 1 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.523 -0.071 18183 359 1 1 . 1 1 67 67 LYS C C 725 175.624 175.624 175.175 0.449 18183 360 1 1 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.534 -0.280 18183 361 1 1 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.504 -0.463 18183 362 1 1 . 1 1 67 67 LYS H H 725 8.671 8.671 8.690 -0.019 18183 363 1 1 . 1 1 68 68 ASP N N 726 127.302 127.302 121.229 6.073 18183 364 1 1 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.372 -0.181 18183 365 1 1 . 1 1 68 68 ASP C C 726 174.291 174.291 175.476 -1.185 18183 366 1 1 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.699 0.323 18183 367 1 1 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.899 -0.508 18183 368 1 1 . 1 1 68 68 ASP H H 726 9.485 9.485 9.003 0.482 18183 369 1 1 . 1 1 69 69 ASN N N 727 110.250 110.250 113.719 -3.469 18183 370 1 1 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.443 -0.220 18183 371 1 1 . 1 1 69 69 ASN C C 727 173.825 173.825 173.526 0.299 18183 372 1 1 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.692 -0.020 18183 373 1 1 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.315 -0.970 18183 374 1 1 . 1 1 69 69 ASN H H 727 8.344 8.344 8.754 -0.409 18183 375 1 1 . 1 1 70 70 TRP N N 728 119.098 119.098 116.172 2.926 18183 376 1 1 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.266 0.050 18183 377 1 1 . 1 1 70 70 TRP C C 728 174.989 174.989 174.899 0.090 18183 378 1 1 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.632 0.080 18183 379 1 1 . 1 1 70 70 TRP CB C 728 33.343 33.343 33.012 0.331 18183 380 1 1 . 1 1 70 70 TRP H H 728 8.050 8.050 7.848 0.202 18183 381 1 1 . 1 1 71 71 ILE N N 729 121.706 121.706 119.959 1.747 18183 382 1 1 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.369 0.143 18183 383 1 1 . 1 1 71 71 ILE C C 729 175.265 175.265 173.650 1.615 18183 384 1 1 . 1 1 71 71 ILE CA C 729 58.794 58.794 60.244 -1.450 18183 385 1 1 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.808 -0.717 18183 386 1 1 . 1 1 71 71 ILE H H 729 9.298 9.298 9.489 -0.191 18183 387 1 1 . 1 1 72 72 HIS N N 730 121.063 121.063 122.726 -1.663 18183 388 1 1 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.219 -0.068 18183 389 1 1 . 1 1 72 72 HIS C C 730 173.774 173.774 174.599 -0.825 18183 390 1 1 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.730 0.789 18183 391 1 1 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.662 0.847 18183 392 1 1 . 1 1 72 72 HIS H H 730 9.024 9.024 8.669 0.355 18183 393 1 1 . 1 1 73 73 ILE N N 731 112.363 112.363 117.192 -4.829 18183 394 1 1 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.406 0.490 18183 395 1 1 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.625 -0.323 18183 396 1 1 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.604 0.783 18183 397 1 1 . 1 1 73 73 ILE H H 731 9.425 9.425 8.799 0.626 18183 398 1 1 . 1 1 74 74 THR N N 732 117.292 117.292 112.455 4.837 18183 399 1 1 . 1 1 74 74 THR HA H 732 4.679 4.679 4.606 0.073 18183 400 1 1 . 1 1 74 74 THR C C 732 173.467 173.467 173.697 -0.230 18183 401 1 1 . 1 1 74 74 THR CA C 732 59.795 59.795 60.686 -0.891 18183 402 1 1 . 1 1 74 74 THR CB C 732 69.896 69.896 71.394 -1.498 18183 403 1 1 . 1 1 74 74 THR H H 732 8.421 8.421 7.723 0.698 18183 404 1 1 . 1 1 75 75 GLU N N 733 123.689 123.689 120.063 3.626 18183 405 1 1 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.361 -1.387 18183 406 1 1 . 1 1 75 75 GLU C C 733 175.819 175.819 176.642 -0.823 18183 407 1 1 . 1 1 75 75 GLU CA C 733 58.898 58.898 57.078 1.819 18183 408 1 1 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.406 -0.415 18183 409 1 1 . 1 1 75 75 GLU H H 733 8.615 8.615 8.805 -0.190 18183 410 1 1 . 1 1 76 76 ALA N N 734 117.705 117.705 122.664 -4.959 18183 411 1 1 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.350 -0.438 18183 412 1 1 . 1 1 76 76 ALA C C 734 177.024 177.024 177.482 -0.458 18183 413 1 1 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.640 0.622 18183 414 1 1 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.785 0.012 18183 415 1 1 . 1 1 76 76 ALA H H 734 7.654 7.654 8.214 -0.560 18183 416 1 1 . 1 1 77 77 LYS N N 735 119.239 119.239 119.986 -0.747 18183 417 1 1 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.202 -0.111 18183 418 1 1 . 1 1 77 77 LYS C C 735 172.048 172.048 174.281 -2.233 18183 419 1 1 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.631 -1.258 18183 420 1 1 . 1 1 77 77 LYS CB C 735 33.343 33.343 33.823 -0.480 18183 421 1 1 . 1 1 77 77 LYS H H 735 7.214 7.214 7.984 -0.770 18183 422 1 1 . 1 1 78 78 LYS N N 736 123.194 123.194 122.475 0.719 18183 423 1 1 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.420 0.317 18183 424 1 1 . 1 1 78 78 LYS C C 736 174.901 174.901 175.327 -0.426 18183 425 1 1 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.206 -0.503 18183 426 1 1 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.691 1.402 18183 427 1 1 . 1 1 78 78 LYS H H 736 7.850 7.850 7.912 -0.062 18183 428 1 1 . 1 1 79 79 PHE N N 737 117.645 117.645 120.047 -2.402 18183 429 1 1 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.694 0.232 18183 430 1 1 . 1 1 79 79 PHE C C 737 175.500 175.500 175.282 0.218 18183 431 1 1 . 1 1 79 79 PHE CA C 737 56.913 56.913 56.774 0.139 18183 432 1 1 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.676 0.792 18183 433 1 1 . 1 1 79 79 PHE H H 737 9.079 9.079 8.594 0.485 18183 434 1 1 . 1 1 80 80 ASP N N 738 119.264 119.264 119.612 -0.348 18183 435 1 1 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.929 0.788 18183 436 1 1 . 1 1 80 80 ASP C C 738 176.014 176.014 176.461 -0.447 18183 437 1 1 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.637 0.008 18183 438 1 1 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.231 0.489 18183 439 1 1 . 1 1 80 80 ASP H H 738 9.332 9.332 8.448 0.884 18183 440 1 1 . 1 1 81 81 SER N N 739 108.541 108.541 112.856 -4.315 18183 441 1 1 . 1 1 81 81 SER HA H 739 4.649 4.649 4.739 -0.090 18183 442 1 1 . 1 1 81 81 SER C C 739 173.719 173.719 174.643 -0.924 18183 443 1 1 . 1 1 81 81 SER CA C 739 57.148 57.148 56.822 0.326 18183 444 1 1 . 1 1 81 81 SER CB C 739 66.475 66.475 66.124 0.351 18183 445 1 1 . 1 1 81 81 SER H H 739 7.379 7.379 7.722 -0.343 18183 446 1 1 . 1 1 82 82 LEU N N 740 122.926 122.926 123.769 -0.843 18183 447 1 1 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.933 -0.177 18183 448 1 1 . 1 1 82 82 LEU C C 740 177.267 177.267 177.931 -0.664 18183 449 1 1 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.281 -0.447 18183 450 1 1 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.725 -1.142 18183 451 1 1 . 1 1 82 82 LEU H H 740 8.939 8.939 8.700 0.239 18183 452 1 1 . 1 1 83 83 LEU N N 741 116.722 116.722 118.956 -2.234 18183 453 1 1 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.878 -0.103 18183 454 1 1 . 1 1 83 83 LEU C C 741 177.528 177.528 178.809 -1.281 18183 455 1 1 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.362 -0.223 18183 456 1 1 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.275 0.402 18183 457 1 1 . 1 1 83 83 LEU H H 741 7.814 7.814 7.567 0.247 18183 458 1 1 . 1 1 84 84 GLU N N 742 116.747 116.747 118.747 -2.000 18183 459 1 1 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.977 -0.110 18183 460 1 1 . 1 1 84 84 GLU C C 742 178.282 178.282 178.908 -0.626 18183 461 1 1 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.643 -0.504 18183 462 1 1 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.183 1.250 18183 463 1 1 . 1 1 84 84 GLU H H 742 7.541 7.541 8.164 -0.623 18183 464 1 1 . 1 1 85 85 LEU N N 743 122.157 122.157 120.173 1.984 18183 465 1 1 . 1 1 85 85 LEU HA H 743 1.963 1.963 1.744 0.219 18183 466 1 1 . 1 1 85 85 LEU C C 743 177.315 177.315 177.873 -0.558 18183 467 1 1 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.045 1.694 18183 468 1 1 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.642 0.073 18183 469 1 1 . 1 1 85 85 LEU H H 743 7.076 7.076 7.074 0.002 18183 470 1 1 . 1 1 86 86 VAL N N 744 119.754 119.754 118.209 1.545 18183 471 1 1 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.425 -0.635 18183 472 1 1 . 1 1 86 86 VAL C C 744 177.621 177.621 178.204 -0.583 18183 473 1 1 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.773 0.071 18183 474 1 1 . 1 1 86 86 VAL CB C 744 30.965 30.965 31.459 -0.494 18183 475 1 1 . 1 1 86 86 VAL H H 744 8.116 8.116 7.724 0.392 18183 476 1 1 . 1 1 87 87 GLU N N 745 116.169 116.169 119.080 -2.911 18183 477 1 1 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.938 -0.223 18183 478 1 1 . 1 1 87 87 GLU C C 745 179.560 179.560 178.952 0.608 18183 479 1 1 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.170 0.152 18183 480 1 1 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.544 -0.458 18183 481 1 1 . 1 1 87 87 GLU H H 745 8.168 8.168 8.655 -0.487 18183 482 1 1 . 1 1 88 88 TYR N N 746 120.022 120.022 120.564 -0.542 18183 483 1 1 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.292 -0.199 18183 484 1 1 . 1 1 88 88 TYR C C 746 180.010 180.010 177.477 2.533 18183 485 1 1 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.869 0.725 18183 486 1 1 . 1 1 88 88 TYR CB C 746 38.828 38.828 39.516 -0.688 18183 487 1 1 . 1 1 88 88 TYR H H 746 7.774 7.774 7.594 0.180 18183 488 1 1 . 1 1 89 89 TYR N N 747 118.480 118.480 116.633 1.847 18183 489 1 1 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.819 0.236 18183 490 1 1 . 1 1 89 89 TYR C C 747 175.796 175.796 176.229 -0.433 18183 491 1 1 . 1 1 89 89 TYR CA C 747 61.137 61.137 56.057 5.080 18183 492 1 1 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.112 -0.182 18183 493 1 1 . 1 1 89 89 TYR H H 747 7.782 7.782 7.790 -0.008 18183 494 1 1 . 1 1 90 90 GLN N N 748 118.696 118.696 118.008 0.688 18183 495 1 1 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.531 0.858 18183 496 1 1 . 1 1 90 90 GLN C C 748 177.777 177.777 176.819 0.958 18183 497 1 1 . 1 1 90 90 GLN CA C 748 57.717 57.717 57.974 -0.257 18183 498 1 1 . 1 1 90 90 GLN CB C 748 28.520 28.520 27.697 0.823 18183 499 1 1 . 1 1 90 90 GLN H H 748 7.838 7.838 7.767 0.071 18183 500 1 1 . 1 1 91 91 CYS N N 749 111.118 111.118 117.210 -6.092 18183 501 1 1 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.191 0.411 18183 502 1 1 . 1 1 91 91 CYS C C 749 172.887 172.887 174.450 -1.563 18183 503 1 1 . 1 1 91 91 CYS CA C 749 57.434 57.434 58.435 -1.001 18183 504 1 1 . 1 1 91 91 CYS CB C 749 29.266 29.266 28.032 1.234 18183 505 1 1 . 1 1 91 91 CYS H H 749 7.145 7.145 7.525 -0.380 18183 506 1 1 . 1 1 92 92 HIS N N 750 120.227 120.227 118.146 2.081 18183 507 1 1 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.672 -0.340 18183 508 1 1 . 1 1 92 92 HIS C C 750 171.842 171.842 174.149 -2.307 18183 509 1 1 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.397 0.680 18183 510 1 1 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.623 -2.247 18183 511 1 1 . 1 1 92 92 HIS H H 750 7.470 7.470 7.274 0.196 18183 512 1 1 . 1 1 93 93 SER N N 751 113.120 113.120 115.755 -2.635 18183 513 1 1 . 1 1 93 93 SER HA H 751 3.782 3.782 4.225 -0.443 18183 514 1 1 . 1 1 93 93 SER C C 751 176.653 176.653 175.665 0.988 18183 515 1 1 . 1 1 93 93 SER CA C 751 57.812 57.812 59.284 -1.472 18183 516 1 1 . 1 1 93 93 SER CB C 751 62.783 62.783 63.687 -0.904 18183 517 1 1 . 1 1 93 93 SER H H 751 8.404 8.404 8.798 -0.394 18183 518 1 1 . 1 1 94 94 LEU N N 752 127.293 127.293 123.585 3.708 18183 519 1 1 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.847 -0.778 18183 520 1 1 . 1 1 94 94 LEU C C 752 177.524 177.524 176.896 0.628 18183 521 1 1 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.197 2.199 18183 522 1 1 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.034 1.453 18183 523 1 1 . 1 1 94 94 LEU H H 752 8.553 8.553 8.456 0.097 18183 524 1 1 . 1 1 95 95 LYS N N 753 122.249 122.249 118.773 3.476 18183 525 1 1 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.484 -0.156 18183 526 1 1 . 1 1 95 95 LYS C C 753 176.426 176.426 178.182 -1.756 18183 527 1 1 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.660 -1.106 18183 528 1 1 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.635 0.539 18183 529 1 1 . 1 1 95 95 LYS H H 753 8.303 8.303 8.274 0.029 18183 530 1 1 . 1 1 96 96 GLU N N 754 115.401 115.401 118.906 -3.505 18183 531 1 1 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.112 -0.027 18183 532 1 1 . 1 1 96 96 GLU C C 754 176.838 176.838 177.854 -1.016 18183 533 1 1 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.629 -0.532 18183 534 1 1 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.367 0.133 18183 535 1 1 . 1 1 96 96 GLU H H 754 7.188 7.188 8.489 -1.301 18183 536 1 1 . 1 1 97 97 SER N N 755 113.852 113.852 113.641 0.211 18183 537 1 1 . 1 1 97 97 SER HA H 755 4.402 4.402 4.520 -0.118 18183 538 1 1 . 1 1 97 97 SER C C 755 172.067 172.067 174.660 -2.593 18183 539 1 1 . 1 1 97 97 SER CA C 755 59.448 59.448 60.349 -0.901 18183 540 1 1 . 1 1 97 97 SER CB C 755 65.680 65.680 64.999 0.681 18183 541 1 1 . 1 1 97 97 SER H H 755 7.838 7.838 7.761 0.077 18183 542 1 1 . 1 1 98 98 PHE N N 756 121.742 121.742 121.504 0.238 18183 543 1 1 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.716 -0.146 18183 544 1 1 . 1 1 98 98 PHE C C 756 174.941 174.941 175.473 -0.532 18183 545 1 1 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.419 0.329 18183 546 1 1 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.133 1.149 18183 547 1 1 . 1 1 98 98 PHE H H 756 8.223 8.223 8.466 -0.243 18183 548 1 1 . 1 1 99 99 LYS N N 757 122.713 122.713 124.613 -1.900 18183 549 1 1 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.209 -0.138 18183 550 1 1 . 1 1 99 99 LYS C C 757 176.793 176.793 177.613 -0.820 18183 551 1 1 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.941 0.215 18183 552 1 1 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.166 0.167 18183 553 1 1 . 1 1 99 99 LYS H H 757 8.388 8.388 8.662 -0.274 18183 554 1 1 . 1 1 100 100 GLN N N 758 114.972 114.972 116.347 -1.375 18183 555 1 1 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.321 -0.160 18183 556 1 1 . 1 1 100 100 GLN C C 758 175.591 175.591 175.587 0.004 18183 557 1 1 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.652 -0.183 18183 558 1 1 . 1 1 100 100 GLN CB C 758 27.987 27.987 29.388 -1.401 18183 559 1 1 . 1 1 100 100 GLN H H 758 8.662 8.662 8.301 0.361 18183 560 1 1 . 1 1 101 101 LEU N N 759 124.472 124.472 122.226 2.246 18183 561 1 1 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.590 -0.911 18183 562 1 1 . 1 1 101 101 LEU C C 759 173.228 173.228 174.712 -1.484 18183 563 1 1 . 1 1 101 101 LEU CA C 759 52.325 52.325 53.913 -1.588 18183 564 1 1 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.772 -1.260 18183 565 1 1 . 1 1 101 101 LEU H H 759 7.884 7.884 7.407 0.477 18183 566 1 1 . 1 1 102 102 ASP N N 760 119.321 119.321 123.564 -4.243 18183 567 1 1 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.767 -0.282 18183 568 1 1 . 1 1 102 102 ASP C C 760 173.467 173.467 174.964 -1.497 18183 569 1 1 . 1 1 102 102 ASP CA C 760 52.125 52.125 52.237 -0.112 18183 570 1 1 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.998 -1.970 18183 571 1 1 . 1 1 102 102 ASP H H 760 6.594 6.594 8.530 -1.936 18183 572 1 1 . 1 1 103 103 THR N N 761 117.213 117.213 114.270 2.943 18183 573 1 1 . 1 1 103 103 THR HA H 761 4.643 4.643 4.247 0.396 18183 574 1 1 . 1 1 103 103 THR C C 761 172.158 172.158 173.634 -1.476 18183 575 1 1 . 1 1 103 103 THR CA C 761 60.197 60.197 60.071 0.126 18183 576 1 1 . 1 1 103 103 THR CB C 761 69.046 69.046 69.940 -0.894 18183 577 1 1 . 1 1 103 103 THR H H 761 7.637 7.637 7.361 0.276 18183 578 1 1 . 1 1 104 104 THR N N 762 114.193 114.193 116.023 -1.830 18183 579 1 1 . 1 1 104 104 THR HA H 762 4.569 4.569 4.203 0.366 18183 580 1 1 . 1 1 104 104 THR C C 762 175.698 175.698 174.363 1.335 18183 581 1 1 . 1 1 104 104 THR CA C 762 60.808 60.808 59.050 1.758 18183 582 1 1 . 1 1 104 104 THR CB C 762 70.636 70.636 70.949 -0.313 18183 583 1 1 . 1 1 104 104 THR H H 762 7.284 7.284 7.898 -0.614 18183 584 1 1 . 1 1 105 105 LEU N N 763 117.473 117.473 122.392 -4.919 18183 585 1 1 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.611 -0.148 18183 586 1 1 . 1 1 105 105 LEU C C 763 174.348 174.348 176.325 -1.977 18183 587 1 1 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.522 -1.540 18183 588 1 1 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.289 -3.606 18183 589 1 1 . 1 1 105 105 LEU H H 763 8.093 8.093 8.257 -0.164 18183 590 1 1 . 1 1 106 106 LYS N N 764 127.491 127.491 124.771 2.720 18183 591 1 1 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.077 -0.119 18183 592 1 1 . 1 1 106 106 LYS C C 764 176.734 176.734 176.717 0.017 18183 593 1 1 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.219 2.477 18183 594 1 1 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.486 1.681 18183 595 1 1 . 1 1 106 106 LYS H H 764 7.118 7.118 8.005 -0.887 18183 596 1 1 . 1 1 107 107 TYR N N 765 115.804 115.804 117.460 -1.656 18183 597 1 1 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.880 0.584 18183 598 1 1 . 1 1 107 107 TYR C C 765 172.048 172.048 172.747 -0.699 18183 599 1 1 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.548 -3.029 18183 600 1 1 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.121 2.255 18183 601 1 1 . 1 1 107 107 TYR H H 765 7.848 7.848 8.042 -0.194 18183 602 1 1 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.258 -0.632 18183 603 1 1 . 1 1 108 108 PRO C C 766 180.469 180.469 176.057 4.412 18183 604 1 1 . 1 1 109 109 TYR N N 767 122.791 122.791 114.126 8.665 18183 605 1 1 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.575 -0.791 18183 606 1 1 . 1 1 109 109 TYR C C 767 174.575 174.575 175.092 -0.517 18183 607 1 1 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.169 3.817 18183 608 1 1 . 1 1 109 109 TYR CB C 767 37.626 37.626 38.195 -0.569 18183 609 1 1 . 1 1 109 109 TYR H H 767 8.306 8.306 8.283 0.023 18183 610 1 1 . 1 1 110 110 LYS N N 768 118.817 118.817 117.206 1.611 18183 611 1 1 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.177 -0.274 18183 612 1 1 . 1 1 110 110 LYS C C 768 176.259 176.259 175.795 0.464 18183 613 1 1 . 1 1 110 110 LYS CA C 768 56.595 56.595 56.989 -0.394 18183 614 1 1 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.748 -0.143 18183 615 1 1 . 1 1 110 110 LYS H H 768 6.785 6.785 7.781 -0.996 18183 616 1 1 . 1 1 111 111 SER N N 769 114.539 114.539 113.074 1.465 18183 617 1 1 . 1 1 111 111 SER HA H 769 4.317 4.317 4.484 -0.167 18183 618 1 1 . 1 1 111 111 SER C C 769 174.092 174.092 172.900 1.192 18183 619 1 1 . 1 1 111 111 SER CA C 769 58.647 58.647 58.576 0.071 18183 620 1 1 . 1 1 111 111 SER CB C 769 63.883 63.883 64.633 -0.750 18183 621 1 1 . 1 1 111 111 SER H H 769 7.765 7.765 7.708 0.057 18183 622 1 1 . 1 1 112 112 ARG N N 770 122.458 122.458 120.545 1.913 18183 623 1 1 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.612 -0.290 18183 624 1 1 . 1 1 112 112 ARG C C 770 175.130 175.130 175.198 -0.068 18183 625 1 1 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.967 -0.303 18183 626 1 1 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.253 -0.374 18183 627 1 1 . 1 1 112 112 ARG H H 770 8.082 8.082 8.104 -0.022 18183 628 1 2 . 1 1 2 2 ARG N N 660 123.546 123.546 125.592 -2.046 18183 629 1 2 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.610 -0.034 18183 630 1 2 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.328 -0.478 18183 631 1 2 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.902 -0.555 18183 632 1 2 . 1 1 2 2 ARG H H 660 8.258 8.258 8.430 -0.172 18183 633 1 2 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.533 -0.177 18183 634 1 2 . 1 1 4 4 PRO C C 662 177.047 177.047 176.287 0.760 18183 635 1 2 . 1 1 4 4 PRO CA C 662 63.221 63.221 63.592 -0.371 18183 636 1 2 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.698 -0.723 18183 637 1 2 . 1 1 5 5 SER N N 663 116.108 116.108 117.261 -1.153 18183 638 1 2 . 1 1 5 5 SER HA H 663 4.335 4.335 4.559 -0.224 18183 639 1 2 . 1 1 5 5 SER C C 663 174.708 174.708 175.211 -0.503 18183 640 1 2 . 1 1 5 5 SER CA C 663 58.639 58.639 58.943 -0.304 18183 641 1 2 . 1 1 5 5 SER CB C 663 63.849 63.849 63.604 0.245 18183 642 1 2 . 1 1 5 5 SER H H 663 8.385 8.385 8.258 0.127 18183 643 1 2 . 1 1 6 6 ARG N N 664 122.132 122.132 122.302 -0.170 18183 644 1 2 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.561 -0.242 18183 645 1 2 . 1 1 6 6 ARG C C 664 175.951 175.951 175.236 0.715 18183 646 1 2 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.087 -0.156 18183 647 1 2 . 1 1 6 6 ARG CB C 664 30.832 30.832 31.087 -0.255 18183 648 1 2 . 1 1 6 6 ARG H H 664 8.347 8.347 7.977 0.370 18183 649 1 2 . 1 1 7 7 GLU N N 665 122.268 122.268 118.236 4.032 18183 650 1 2 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.385 -0.123 18183 651 1 2 . 1 1 7 7 GLU C C 665 175.809 175.809 174.649 1.160 18183 652 1 2 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.035 0.135 18183 653 1 2 . 1 1 7 7 GLU CB C 665 29.908 29.908 32.000 -2.092 18183 654 1 2 . 1 1 7 7 GLU H H 665 8.336 8.336 8.364 -0.028 18183 655 1 2 . 1 1 8 8 ILE N N 666 123.984 123.984 121.357 2.627 18183 656 1 2 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.156 -0.376 18183 657 1 2 . 1 1 8 8 ILE C C 666 174.325 174.325 174.839 -0.514 18183 658 1 2 . 1 1 8 8 ILE CA C 666 60.809 60.809 59.922 0.887 18183 659 1 2 . 1 1 8 8 ILE CB C 666 39.233 39.233 40.097 -0.864 18183 660 1 2 . 1 1 8 8 ILE H H 666 7.920 7.920 8.122 -0.202 18183 661 1 2 . 1 1 9 9 ASP N N 667 124.228 124.228 126.358 -2.130 18183 662 1 2 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.367 0.201 18183 663 1 2 . 1 1 9 9 ASP C C 667 177.001 177.001 176.595 0.406 18183 664 1 2 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.395 -1.404 18183 665 1 2 . 1 1 9 9 ASP CB C 667 40.310 40.310 38.602 1.708 18183 666 1 2 . 1 1 9 9 ASP H H 667 8.072 8.072 8.662 -0.590 18183 667 1 2 . 1 1 10 10 TYR N N 668 125.329 125.329 121.703 3.626 18183 668 1 2 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.098 0.030 18183 669 1 2 . 1 1 10 10 TYR C C 668 175.901 175.901 177.480 -1.579 18183 670 1 2 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.398 0.159 18183 671 1 2 . 1 1 10 10 TYR CB C 668 36.166 36.166 36.874 -0.708 18183 672 1 2 . 1 1 10 10 TYR H H 668 8.493 8.493 7.839 0.654 18183 673 1 2 . 1 1 11 11 THR N N 669 108.533 108.533 111.316 -2.783 18183 674 1 2 . 1 1 11 11 THR HA H 669 4.082 4.082 3.876 0.206 18183 675 1 2 . 1 1 11 11 THR C C 669 175.170 175.170 175.399 -0.229 18183 676 1 2 . 1 1 11 11 THR CA C 669 64.701 64.701 64.480 0.221 18183 677 1 2 . 1 1 11 11 THR CB C 669 68.924 68.924 67.763 1.161 18183 678 1 2 . 1 1 11 11 THR H H 669 7.948 7.948 7.860 0.088 18183 679 1 2 . 1 1 12 12 ALA N N 670 121.252 121.252 122.385 -1.133 18183 680 1 2 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.084 -0.061 18183 681 1 2 . 1 1 12 12 ALA C C 670 177.747 177.747 177.782 -0.035 18183 682 1 2 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.104 -0.605 18183 683 1 2 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.598 0.629 18183 684 1 2 . 1 1 12 12 ALA H H 670 7.366 7.366 7.395 -0.029 18183 685 1 2 . 1 1 13 13 TYR N N 671 117.895 117.895 117.710 0.185 18183 686 1 2 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.154 0.098 18183 687 1 2 . 1 1 13 13 TYR C C 671 176.545 176.545 175.437 1.108 18183 688 1 2 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.343 0.130 18183 689 1 2 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.819 -1.260 18183 690 1 2 . 1 1 13 13 TYR H H 671 7.490 7.490 7.465 0.025 18183 691 1 2 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.485 -0.185 18183 692 1 2 . 1 1 14 14 PRO C C 672 173.638 173.638 175.805 -2.167 18183 693 1 2 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.318 0.433 18183 694 1 2 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.884 -0.640 18183 695 1 2 . 1 1 15 15 TRP N N 673 109.940 109.940 116.542 -6.602 18183 696 1 2 . 1 1 15 15 TRP HA H 673 4.706 4.706 5.090 -0.384 18183 697 1 2 . 1 1 15 15 TRP C C 673 175.471 175.471 176.266 -0.795 18183 698 1 2 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.308 -2.458 18183 699 1 2 . 1 1 15 15 TRP CB C 673 32.436 32.436 29.684 2.752 18183 700 1 2 . 1 1 15 15 TRP H H 673 6.184 6.184 7.865 -1.681 18183 701 1 2 . 1 1 16 16 PHE N N 674 123.228 123.228 121.886 1.342 18183 702 1 2 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.459 0.642 18183 703 1 2 . 1 1 16 16 PHE C C 674 174.684 174.684 174.988 -0.304 18183 704 1 2 . 1 1 16 16 PHE CA C 674 59.566 59.566 59.957 -0.391 18183 705 1 2 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.279 -0.311 18183 706 1 2 . 1 1 16 16 PHE H H 674 7.585 7.585 7.711 -0.126 18183 707 1 2 . 1 1 17 17 ALA N N 675 130.573 130.573 125.276 5.297 18183 708 1 2 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.833 0.009 18183 709 1 2 . 1 1 17 17 ALA C C 675 177.161 177.161 176.861 0.300 18183 710 1 2 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.970 -0.802 18183 711 1 2 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.182 0.786 18183 712 1 2 . 1 1 17 17 ALA H H 675 9.004 9.004 8.468 0.536 18183 713 1 2 . 1 1 18 18 GLY C C 676 174.000 174.000 173.075 0.925 18183 714 1 2 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.621 1.869 18183 715 1 2 . 1 1 19 19 ASN N N 677 124.182 124.182 120.490 3.692 18183 716 1 2 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.092 -0.086 18183 717 1 2 . 1 1 19 19 ASN C C 677 174.916 174.916 175.111 -0.195 18183 718 1 2 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.203 0.402 18183 719 1 2 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.630 -0.565 18183 720 1 2 . 1 1 19 19 ASN H H 677 8.657 8.657 8.548 0.109 18183 721 1 2 . 1 1 20 20 MET N N 678 122.806 122.806 120.142 2.664 18183 722 1 2 . 1 1 20 20 MET HA H 678 4.173 4.173 4.312 -0.139 18183 723 1 2 . 1 1 20 20 MET C C 678 175.317 175.317 176.181 -0.864 18183 724 1 2 . 1 1 20 20 MET CA C 678 56.274 56.274 55.854 0.420 18183 725 1 2 . 1 1 20 20 MET CB C 678 35.581 35.581 33.338 2.243 18183 726 1 2 . 1 1 20 20 MET H H 678 7.158 7.158 7.258 -0.100 18183 727 1 2 . 1 1 21 21 GLU N N 679 124.655 124.655 122.356 2.299 18183 728 1 2 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.192 0.009 18183 729 1 2 . 1 1 21 21 GLU C C 679 178.105 178.105 178.264 -0.159 18183 730 1 2 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.884 -0.868 18183 731 1 2 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.724 0.166 18183 732 1 2 . 1 1 21 21 GLU H H 679 8.687 8.687 8.549 0.138 18183 733 1 2 . 1 1 22 22 ARG N N 680 125.764 125.764 121.407 4.357 18183 734 1 2 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.891 -0.611 18183 735 1 2 . 1 1 22 22 ARG C C 680 177.559 177.559 178.646 -1.087 18183 736 1 2 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.222 0.832 18183 737 1 2 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.036 -0.168 18183 738 1 2 . 1 1 22 22 ARG H H 680 9.191 9.191 8.730 0.461 18183 739 1 2 . 1 1 23 23 GLN N N 681 118.109 118.109 119.467 -1.358 18183 740 1 2 . 1 1 23 23 GLN HA H 681 3.993 3.993 3.971 0.022 18183 741 1 2 . 1 1 23 23 GLN C C 681 178.252 178.252 177.994 0.258 18183 742 1 2 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.790 -0.191 18183 743 1 2 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.906 -0.141 18183 744 1 2 . 1 1 23 23 GLN H H 681 9.085 9.085 8.636 0.449 18183 745 1 2 . 1 1 24 24 GLN N N 682 118.128 118.128 117.281 0.847 18183 746 1 2 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.044 0.007 18183 747 1 2 . 1 1 24 24 GLN C C 682 178.328 178.328 178.749 -0.421 18183 748 1 2 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.414 -0.649 18183 749 1 2 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.296 -0.064 18183 750 1 2 . 1 1 24 24 GLN H H 682 7.287 7.287 8.575 -1.288 18183 751 1 2 . 1 1 25 25 THR N N 683 116.436 116.436 116.748 -0.312 18183 752 1 2 . 1 1 25 25 THR HA H 683 3.641 3.641 3.926 -0.285 18183 753 1 2 . 1 1 25 25 THR CA C 683 67.504 67.504 67.374 0.130 18183 754 1 2 . 1 1 25 25 THR CB C 683 67.667 67.667 68.369 -0.702 18183 755 1 2 . 1 1 25 25 THR H H 683 7.813 7.813 7.860 -0.047 18183 756 1 2 . 1 1 26 26 ASP N N 684 123.084 123.084 122.336 0.748 18183 757 1 2 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.464 -0.236 18183 758 1 2 . 1 1 26 26 ASP C C 684 178.426 178.426 178.585 -0.159 18183 759 1 2 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.757 0.263 18183 760 1 2 . 1 1 26 26 ASP CB C 684 39.826 39.826 40.682 -0.856 18183 761 1 2 . 1 1 26 26 ASP H H 684 8.384 8.384 8.507 -0.123 18183 762 1 2 . 1 1 27 27 ASN N N 685 116.068 116.068 118.633 -2.565 18183 763 1 2 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.481 -0.162 18183 764 1 2 . 1 1 27 27 ASN C C 685 177.207 177.207 178.087 -0.880 18183 765 1 2 . 1 1 27 27 ASN CA C 685 55.747 55.747 56.105 -0.358 18183 766 1 2 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.578 -0.382 18183 767 1 2 . 1 1 27 27 ASN H H 685 7.667 7.667 7.947 -0.280 18183 768 1 2 . 1 1 28 28 LEU N N 686 120.906 120.906 122.309 -1.403 18183 769 1 2 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.080 0.089 18183 770 1 2 . 1 1 28 28 LEU C C 686 179.394 179.394 179.236 0.158 18183 771 1 2 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.987 -0.166 18183 772 1 2 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.480 1.212 18183 773 1 2 . 1 1 28 28 LEU H H 686 7.993 7.993 8.411 -0.418 18183 774 1 2 . 1 1 29 29 LEU N N 687 114.941 114.941 117.794 -2.853 18183 775 1 2 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.102 -0.051 18183 776 1 2 . 1 1 29 29 LEU C C 687 178.742 178.742 178.705 0.037 18183 777 1 2 . 1 1 29 29 LEU CA C 687 56.437 56.437 57.477 -1.040 18183 778 1 2 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.849 0.993 18183 779 1 2 . 1 1 29 29 LEU H H 687 8.166 8.166 8.341 -0.175 18183 780 1 2 . 1 1 30 30 LYS N N 688 118.446 118.446 118.160 0.286 18183 781 1 2 . 1 1 30 30 LYS HA H 688 3.713 3.713 3.939 -0.226 18183 782 1 2 . 1 1 30 30 LYS C C 688 177.260 177.260 178.354 -1.094 18183 783 1 2 . 1 1 30 30 LYS CA C 688 60.478 60.478 59.201 1.277 18183 784 1 2 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.840 -0.756 18183 785 1 2 . 1 1 30 30 LYS H H 688 7.635 7.635 8.110 -0.475 18183 786 1 2 . 1 1 31 31 SER N N 689 111.039 111.039 110.799 0.240 18183 787 1 2 . 1 1 31 31 SER HA H 689 4.417 4.417 4.215 0.202 18183 788 1 2 . 1 1 31 31 SER C C 689 174.495 174.495 175.650 -1.155 18183 789 1 2 . 1 1 31 31 SER CA C 689 58.387 58.387 60.183 -1.796 18183 790 1 2 . 1 1 31 31 SER CB C 689 63.281 63.281 63.222 0.059 18183 791 1 2 . 1 1 31 31 SER H H 689 7.709 7.709 7.675 0.034 18183 792 1 2 . 1 1 32 32 HIS N N 690 120.253 120.253 122.126 -1.873 18183 793 1 2 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.463 0.113 18183 794 1 2 . 1 1 32 32 HIS C C 690 173.913 173.913 175.269 -1.356 18183 795 1 2 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.755 -0.679 18183 796 1 2 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.524 1.329 18183 797 1 2 . 1 1 32 32 HIS H H 690 7.647 7.647 7.338 0.309 18183 798 1 2 . 1 1 33 33 ALA N N 691 120.403 120.403 123.889 -3.486 18183 799 1 2 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.312 -0.034 18183 800 1 2 . 1 1 33 33 ALA C C 691 179.503 179.503 176.961 2.542 18183 801 1 2 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.981 -0.263 18183 802 1 2 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.029 0.240 18183 803 1 2 . 1 1 33 33 ALA H H 691 8.452 8.452 8.586 -0.134 18183 804 1 2 . 1 1 34 34 SER N N 692 117.464 117.464 115.889 1.575 18183 805 1 2 . 1 1 34 34 SER HA H 692 4.047 4.047 4.256 -0.209 18183 806 1 2 . 1 1 34 34 SER C C 692 175.307 175.307 175.573 -0.266 18183 807 1 2 . 1 1 34 34 SER CA C 692 60.434 60.434 60.308 0.126 18183 808 1 2 . 1 1 34 34 SER CB C 692 63.132 63.132 63.299 -0.167 18183 809 1 2 . 1 1 34 34 SER H H 692 9.002 9.002 8.453 0.549 18183 810 1 2 . 1 1 35 35 GLY N N 693 113.364 113.364 116.440 -3.076 18183 811 1 2 . 1 1 35 35 GLY C C 693 174.739 174.739 173.635 1.104 18183 812 1 2 . 1 1 35 35 GLY CA C 693 44.850 44.850 44.949 -0.099 18183 813 1 2 . 1 1 35 35 GLY H H 693 9.873 9.873 9.129 0.744 18183 814 1 2 . 1 1 36 36 THR N N 694 120.932 120.932 118.411 2.521 18183 815 1 2 . 1 1 36 36 THR HA H 694 5.923 5.923 5.643 0.280 18183 816 1 2 . 1 1 36 36 THR C C 694 173.253 173.253 173.673 -0.420 18183 817 1 2 . 1 1 36 36 THR CA C 694 63.429 63.429 63.112 0.317 18183 818 1 2 . 1 1 36 36 THR CB C 694 68.091 68.091 70.174 -2.083 18183 819 1 2 . 1 1 36 36 THR H H 694 8.240 8.240 7.500 0.740 18183 820 1 2 . 1 1 37 37 TYR N N 695 123.567 123.567 123.503 0.064 18183 821 1 2 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.271 0.705 18183 822 1 2 . 1 1 37 37 TYR C C 695 171.737 171.737 173.225 -1.488 18183 823 1 2 . 1 1 37 37 TYR CA C 695 55.235 55.235 55.107 0.128 18183 824 1 2 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.001 3.288 18183 825 1 2 . 1 1 37 37 TYR H H 695 8.765 8.765 7.875 0.890 18183 826 1 2 . 1 1 38 38 LEU N N 696 115.294 115.294 117.296 -2.002 18183 827 1 2 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.278 -0.175 18183 828 1 2 . 1 1 38 38 LEU C C 696 174.368 174.368 174.690 -0.322 18183 829 1 2 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.200 -0.368 18183 830 1 2 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.952 0.342 18183 831 1 2 . 1 1 38 38 LEU H H 696 9.008 9.008 8.462 0.546 18183 832 1 2 . 1 1 39 39 ILE N N 697 122.087 122.087 120.919 1.168 18183 833 1 2 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.657 0.636 18183 834 1 2 . 1 1 39 39 ILE C C 697 173.625 173.625 174.716 -1.091 18183 835 1 2 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.520 -0.714 18183 836 1 2 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.102 -1.336 18183 837 1 2 . 1 1 39 39 ILE H H 697 9.276 9.276 8.318 0.958 18183 838 1 2 . 1 1 40 40 ARG N N 698 123.307 123.307 123.878 -0.571 18183 839 1 2 . 1 1 40 40 ARG HA H 698 5.144 5.144 5.108 0.036 18183 840 1 2 . 1 1 40 40 ARG C C 698 173.789 173.789 174.536 -0.747 18183 841 1 2 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.280 -1.109 18183 842 1 2 . 1 1 40 40 ARG CB C 698 33.426 33.426 34.231 -0.805 18183 843 1 2 . 1 1 40 40 ARG H H 698 9.032 9.032 9.045 -0.013 18183 844 1 2 . 1 1 41 41 GLU N N 699 122.502 122.502 119.027 3.475 18183 845 1 2 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.478 0.513 18183 846 1 2 . 1 1 41 41 GLU C C 699 175.788 175.788 174.677 1.111 18183 847 1 2 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.131 -0.292 18183 848 1 2 . 1 1 41 41 GLU CB C 699 32.923 32.923 34.117 -1.194 18183 849 1 2 . 1 1 41 41 GLU H H 699 8.453 8.453 8.564 -0.111 18183 850 1 2 . 1 1 42 42 ARG N N 700 125.039 125.039 122.702 2.337 18183 851 1 2 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.552 0.102 18183 852 1 2 . 1 1 42 42 ARG H H 700 8.844 8.844 8.129 0.715 18183 853 1 2 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.246 -0.031 18183 854 1 2 . 1 1 43 43 PRO C C 701 176.485 176.485 176.035 0.450 18183 855 1 2 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.613 0.417 18183 856 1 2 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.459 -0.009 18183 857 1 2 . 1 1 44 44 ALA N N 702 120.718 120.718 127.503 -6.785 18183 858 1 2 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.521 -0.278 18183 859 1 2 . 1 1 44 44 ALA C C 702 176.924 176.924 177.243 -0.319 18183 860 1 2 . 1 1 44 44 ALA CA C 702 52.068 52.068 50.725 1.343 18183 861 1 2 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.852 -1.425 18183 862 1 2 . 1 1 44 44 ALA H H 702 8.217 8.217 7.832 0.385 18183 863 1 2 . 1 1 45 45 GLU N N 703 118.107 118.107 120.384 -2.277 18183 864 1 2 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.076 0.229 18183 865 1 2 . 1 1 45 45 GLU C C 703 176.308 176.308 177.360 -1.052 18183 866 1 2 . 1 1 45 45 GLU H H 703 7.638 7.638 8.938 -1.300 18183 867 1 2 . 1 1 46 46 ALA N N 704 122.161 122.161 120.318 1.843 18183 868 1 2 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.332 -0.197 18183 869 1 2 . 1 1 46 46 ALA C C 704 178.439 178.439 177.320 1.119 18183 870 1 2 . 1 1 46 46 ALA H H 704 8.596 8.596 7.869 0.727 18183 871 1 2 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.489 0.157 18183 872 1 2 . 1 1 47 47 GLU C C 705 175.340 175.340 176.623 -1.283 18183 873 1 2 . 1 1 47 47 GLU H H 705 7.642 7.642 8.142 -0.500 18183 874 1 2 . 1 1 48 48 ARG N N 706 122.871 122.871 117.719 5.152 18183 875 1 2 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.471 0.169 18183 876 1 2 . 1 1 48 48 ARG C C 706 175.645 175.645 174.711 0.934 18183 877 1 2 . 1 1 48 48 ARG H H 706 8.163 8.163 7.909 0.255 18183 878 1 2 . 1 1 49 49 PHE N N 707 113.719 113.719 117.303 -3.584 18183 879 1 2 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.766 1.018 18183 880 1 2 . 1 1 49 49 PHE C C 707 174.536 174.536 174.417 0.119 18183 881 1 2 . 1 1 49 49 PHE H H 707 8.370 8.370 8.068 0.302 18183 882 1 2 . 1 1 50 50 ALA N N 708 119.650 119.650 121.526 -1.876 18183 883 1 2 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.100 0.020 18183 884 1 2 . 1 1 50 50 ALA C C 708 175.964 175.964 175.027 0.937 18183 885 1 2 . 1 1 50 50 ALA CA C 708 51.013 51.013 51.169 -0.156 18183 886 1 2 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.724 -0.844 18183 887 1 2 . 1 1 50 50 ALA H H 708 8.868 8.868 8.740 0.128 18183 888 1 2 . 1 1 51 51 ILE N N 709 121.077 121.077 120.570 0.507 18183 889 1 2 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.569 0.078 18183 890 1 2 . 1 1 51 51 ILE C C 709 175.049 175.049 174.532 0.517 18183 891 1 2 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.146 0.353 18183 892 1 2 . 1 1 51 51 ILE CB C 709 39.996 39.996 41.482 -1.486 18183 893 1 2 . 1 1 51 51 ILE H H 709 9.130 9.130 9.095 0.035 18183 894 1 2 . 1 1 52 52 SER N N 710 125.122 125.122 120.505 4.617 18183 895 1 2 . 1 1 52 52 SER HA H 710 5.454 5.454 5.415 0.038 18183 896 1 2 . 1 1 52 52 SER C C 710 172.024 172.024 173.080 -1.056 18183 897 1 2 . 1 1 52 52 SER CA C 710 57.614 57.614 57.388 0.226 18183 898 1 2 . 1 1 52 52 SER CB C 710 64.989 64.989 65.086 -0.097 18183 899 1 2 . 1 1 52 52 SER H H 710 9.204 9.204 8.788 0.416 18183 900 1 2 . 1 1 53 53 ILE N N 711 121.512 121.512 125.204 -3.692 18183 901 1 2 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.057 0.082 18183 902 1 2 . 1 1 53 53 ILE C C 711 173.093 173.093 173.366 -0.273 18183 903 1 2 . 1 1 53 53 ILE CA C 711 57.633 57.633 58.721 -1.088 18183 904 1 2 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.670 0.153 18183 905 1 2 . 1 1 53 53 ILE H H 711 8.825 8.825 8.444 0.381 18183 906 1 2 . 1 1 54 54 LYS N N 712 128.814 128.814 124.509 4.305 18183 907 1 2 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.191 -0.436 18183 908 1 2 . 1 1 54 54 LYS C C 712 174.850 174.850 174.848 0.002 18183 909 1 2 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.450 -0.205 18183 910 1 2 . 1 1 54 54 LYS CB C 712 33.334 33.334 34.500 -1.166 18183 911 1 2 . 1 1 54 54 LYS H H 712 8.863 8.863 8.749 0.114 18183 912 1 2 . 1 1 55 55 PHE N N 713 130.119 130.119 126.612 3.507 18183 913 1 2 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.859 0.009 18183 914 1 2 . 1 1 55 55 PHE C C 713 174.223 174.223 174.387 -0.164 18183 915 1 2 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.117 1.032 18183 916 1 2 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.118 -1.516 18183 917 1 2 . 1 1 55 55 PHE H H 713 9.373 9.373 9.052 0.321 18183 918 1 2 . 1 1 56 56 ASN N N 714 125.766 125.766 124.809 0.957 18183 919 1 2 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.088 -0.190 18183 920 1 2 . 1 1 56 56 ASN C C 714 173.945 173.945 174.048 -0.103 18183 921 1 2 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.091 0.915 18183 922 1 2 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.734 -1.772 18183 923 1 2 . 1 1 56 56 ASN H H 714 8.364 8.364 8.669 -0.305 18183 924 1 2 . 1 1 57 57 ASP N N 715 117.708 117.708 114.702 3.006 18183 925 1 2 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.285 0.266 18183 926 1 2 . 1 1 57 57 ASP C C 715 174.766 174.766 174.680 0.086 18183 927 1 2 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.659 -0.614 18183 928 1 2 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.355 0.222 18183 929 1 2 . 1 1 57 57 ASP H H 715 8.536 8.536 8.779 -0.243 18183 930 1 2 . 1 1 58 58 GLU N N 716 118.715 118.715 116.639 2.076 18183 931 1 2 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.598 0.067 18183 932 1 2 . 1 1 58 58 GLU C C 716 173.786 173.786 174.721 -0.935 18183 933 1 2 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.219 -0.277 18183 934 1 2 . 1 1 58 58 GLU CB C 716 34.163 34.163 33.991 0.172 18183 935 1 2 . 1 1 58 58 GLU H H 716 7.873 7.873 7.734 0.139 18183 936 1 2 . 1 1 59 59 VAL N N 717 120.798 120.798 123.019 -2.221 18183 937 1 2 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.440 -0.067 18183 938 1 2 . 1 1 59 59 VAL C C 717 175.325 175.325 175.819 -0.494 18183 939 1 2 . 1 1 59 59 VAL CA C 717 61.939 61.939 60.874 1.065 18183 940 1 2 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.725 0.292 18183 941 1 2 . 1 1 59 59 VAL H H 717 8.473 8.473 8.502 -0.029 18183 942 1 2 . 1 1 60 60 LYS N N 718 127.136 127.136 126.462 0.674 18183 943 1 2 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.358 0.073 18183 944 1 2 . 1 1 60 60 LYS C C 718 174.439 174.439 175.342 -0.903 18183 945 1 2 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.617 -1.808 18183 946 1 2 . 1 1 60 60 LYS CB C 718 33.105 33.105 33.194 -0.090 18183 947 1 2 . 1 1 60 60 LYS H H 718 8.903 8.903 8.091 0.812 18183 948 1 2 . 1 1 61 61 HIS N N 719 119.956 119.956 122.761 -2.805 18183 949 1 2 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.082 0.141 18183 950 1 2 . 1 1 61 61 HIS C C 719 175.173 175.173 174.739 0.434 18183 951 1 2 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.901 0.259 18183 952 1 2 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.626 3.256 18183 953 1 2 . 1 1 61 61 HIS H H 719 8.422 8.422 8.683 -0.261 18183 954 1 2 . 1 1 62 62 ILE N N 720 126.629 126.629 124.682 1.947 18183 955 1 2 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.172 -0.036 18183 956 1 2 . 1 1 62 62 ILE C C 720 175.372 175.372 175.300 0.072 18183 957 1 2 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.416 -1.440 18183 958 1 2 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.803 2.225 18183 959 1 2 . 1 1 62 62 ILE H H 720 9.646 9.646 8.334 1.312 18183 960 1 2 . 1 1 63 63 LYS N N 721 127.276 127.276 126.876 0.400 18183 961 1 2 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.502 -0.275 18183 962 1 2 . 1 1 63 63 LYS C C 721 174.877 174.877 175.914 -1.037 18183 963 1 2 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.937 1.603 18183 964 1 2 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.663 -0.614 18183 965 1 2 . 1 1 63 63 LYS H H 721 8.741 8.741 8.544 0.197 18183 966 1 2 . 1 1 64 64 VAL N N 722 123.343 123.343 122.595 0.748 18183 967 1 2 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.197 -0.024 18183 968 1 2 . 1 1 64 64 VAL C C 722 174.522 174.522 174.503 0.019 18183 969 1 2 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.510 -0.015 18183 970 1 2 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.803 -3.411 18183 971 1 2 . 1 1 64 64 VAL H H 722 8.166 8.166 8.585 -0.419 18183 972 1 2 . 1 1 65 65 VAL N N 723 127.934 127.934 122.609 5.325 18183 973 1 2 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.389 -0.243 18183 974 1 2 . 1 1 65 65 VAL C C 723 174.212 174.212 174.103 0.109 18183 975 1 2 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.752 0.999 18183 976 1 2 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.139 -0.860 18183 977 1 2 . 1 1 65 65 VAL H H 723 8.469 8.469 8.199 0.270 18183 978 1 2 . 1 1 66 66 GLU N N 724 125.632 125.632 128.654 -3.022 18183 979 1 2 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.327 -0.171 18183 980 1 2 . 1 1 66 66 GLU C C 724 175.573 175.573 175.221 0.352 18183 981 1 2 . 1 1 66 66 GLU CA C 724 54.557 54.557 54.981 -0.424 18183 982 1 2 . 1 1 66 66 GLU CB C 724 32.441 32.441 30.936 1.504 18183 983 1 2 . 1 1 66 66 GLU H H 724 8.518 8.518 8.900 -0.382 18183 984 1 2 . 1 1 67 67 LYS N N 725 125.857 125.857 123.918 1.939 18183 985 1 2 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.706 -0.254 18183 986 1 2 . 1 1 67 67 LYS C C 725 175.624 175.624 175.787 -0.163 18183 987 1 2 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.547 0.707 18183 988 1 2 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.077 -0.036 18183 989 1 2 . 1 1 67 67 LYS H H 725 8.671 8.671 9.071 -0.400 18183 990 1 2 . 1 1 68 68 ASP N N 726 127.302 127.302 120.533 6.769 18183 991 1 2 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.422 -0.231 18183 992 1 2 . 1 1 68 68 ASP C C 726 174.291 174.291 175.999 -1.708 18183 993 1 2 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.779 0.243 18183 994 1 2 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.484 -0.093 18183 995 1 2 . 1 1 68 68 ASP H H 726 9.485 9.485 8.852 0.633 18183 996 1 2 . 1 1 69 69 ASN N N 727 110.250 110.250 113.318 -3.068 18183 997 1 2 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.340 -0.117 18183 998 1 2 . 1 1 69 69 ASN C C 727 173.825 173.825 173.399 0.426 18183 999 1 2 . 1 1 69 69 ASN CA C 727 54.672 54.672 55.028 -0.356 18183 1000 1 2 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.475 -1.131 18183 1001 1 2 . 1 1 69 69 ASN H H 727 8.344 8.344 8.757 -0.413 18183 1002 1 2 . 1 1 70 70 TRP N N 728 119.098 119.098 116.237 2.861 18183 1003 1 2 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.972 0.344 18183 1004 1 2 . 1 1 70 70 TRP C C 728 174.989 174.989 174.623 0.366 18183 1005 1 2 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.772 -0.060 18183 1006 1 2 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.761 0.582 18183 1007 1 2 . 1 1 70 70 TRP H H 728 8.050 8.050 7.847 0.203 18183 1008 1 2 . 1 1 71 71 ILE N N 729 121.706 121.706 120.939 0.767 18183 1009 1 2 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.431 0.081 18183 1010 1 2 . 1 1 71 71 ILE C C 729 175.265 175.265 173.894 1.371 18183 1011 1 2 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.730 -0.936 18183 1012 1 2 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.286 -0.195 18183 1013 1 2 . 1 1 71 71 ILE H H 729 9.298 9.298 9.472 -0.174 18183 1014 1 2 . 1 1 72 72 HIS N N 730 121.063 121.063 123.763 -2.700 18183 1015 1 2 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.240 -0.089 18183 1016 1 2 . 1 1 72 72 HIS C C 730 173.774 173.774 174.307 -0.533 18183 1017 1 2 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.603 0.916 18183 1018 1 2 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.933 0.576 18183 1019 1 2 . 1 1 72 72 HIS H H 730 9.024 9.024 8.849 0.175 18183 1020 1 2 . 1 1 73 73 ILE N N 731 112.363 112.363 116.160 -3.797 18183 1021 1 2 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.524 0.372 18183 1022 1 2 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.238 0.064 18183 1023 1 2 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.921 0.466 18183 1024 1 2 . 1 1 73 73 ILE H H 731 9.425 9.425 9.035 0.390 18183 1025 1 2 . 1 1 74 74 THR N N 732 117.292 117.292 113.134 4.158 18183 1026 1 2 . 1 1 74 74 THR HA H 732 4.679 4.679 4.490 0.189 18183 1027 1 2 . 1 1 74 74 THR C C 732 173.467 173.467 174.262 -0.795 18183 1028 1 2 . 1 1 74 74 THR CA C 732 59.795 59.795 60.792 -0.997 18183 1029 1 2 . 1 1 74 74 THR CB C 732 69.896 69.896 71.003 -1.107 18183 1030 1 2 . 1 1 74 74 THR H H 732 8.421 8.421 7.812 0.609 18183 1031 1 2 . 1 1 75 75 GLU N N 733 123.689 123.689 121.515 2.174 18183 1032 1 2 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.397 -1.423 18183 1033 1 2 . 1 1 75 75 GLU C C 733 175.819 175.819 176.110 -0.291 18183 1034 1 2 . 1 1 75 75 GLU CA C 733 58.898 58.898 57.381 1.517 18183 1035 1 2 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.036 -0.045 18183 1036 1 2 . 1 1 75 75 GLU H H 733 8.615 8.615 8.763 -0.148 18183 1037 1 2 . 1 1 76 76 ALA N N 734 117.705 117.705 121.570 -3.865 18183 1038 1 2 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.305 -0.393 18183 1039 1 2 . 1 1 76 76 ALA C C 734 177.024 177.024 177.204 -0.180 18183 1040 1 2 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.942 0.320 18183 1041 1 2 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.135 -0.338 18183 1042 1 2 . 1 1 76 76 ALA H H 734 7.654 7.654 8.234 -0.580 18183 1043 1 2 . 1 1 77 77 LYS N N 735 119.239 119.239 117.285 1.954 18183 1044 1 2 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.213 -0.122 18183 1045 1 2 . 1 1 77 77 LYS C C 735 172.048 172.048 174.157 -2.109 18183 1046 1 2 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.743 -1.370 18183 1047 1 2 . 1 1 77 77 LYS CB C 735 33.343 33.343 35.581 -2.238 18183 1048 1 2 . 1 1 77 77 LYS H H 735 7.214 7.214 8.112 -0.898 18183 1049 1 2 . 1 1 78 78 LYS N N 736 123.194 123.194 123.294 -0.100 18183 1050 1 2 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.570 0.167 18183 1051 1 2 . 1 1 78 78 LYS C C 736 174.901 174.901 175.421 -0.520 18183 1052 1 2 . 1 1 78 78 LYS CA C 736 54.703 54.703 54.786 -0.083 18183 1053 1 2 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.767 1.326 18183 1054 1 2 . 1 1 78 78 LYS H H 736 7.850 7.850 7.891 -0.041 18183 1055 1 2 . 1 1 79 79 PHE N N 737 117.645 117.645 120.349 -2.704 18183 1056 1 2 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.917 0.009 18183 1057 1 2 . 1 1 79 79 PHE C C 737 175.500 175.500 174.785 0.715 18183 1058 1 2 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.235 -0.322 18183 1059 1 2 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.886 0.582 18183 1060 1 2 . 1 1 79 79 PHE H H 737 9.079 9.079 8.630 0.449 18183 1061 1 2 . 1 1 80 80 ASP N N 738 119.264 119.264 121.452 -2.188 18183 1062 1 2 . 1 1 80 80 ASP HA H 738 4.717 4.717 4.049 0.668 18183 1063 1 2 . 1 1 80 80 ASP C C 738 176.014 176.014 176.600 -0.586 18183 1064 1 2 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.398 0.247 18183 1065 1 2 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.507 0.213 18183 1066 1 2 . 1 1 80 80 ASP H H 738 9.332 9.332 8.724 0.608 18183 1067 1 2 . 1 1 81 81 SER N N 739 108.541 108.541 112.193 -3.652 18183 1068 1 2 . 1 1 81 81 SER HA H 739 4.649 4.649 4.671 -0.022 18183 1069 1 2 . 1 1 81 81 SER C C 739 173.719 173.719 174.290 -0.571 18183 1070 1 2 . 1 1 81 81 SER CA C 739 57.148 57.148 57.081 0.067 18183 1071 1 2 . 1 1 81 81 SER CB C 739 66.475 66.475 66.200 0.275 18183 1072 1 2 . 1 1 81 81 SER H H 739 7.379 7.379 7.676 -0.297 18183 1073 1 2 . 1 1 82 82 LEU N N 740 122.926 122.926 123.417 -0.491 18183 1074 1 2 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.986 -0.230 18183 1075 1 2 . 1 1 82 82 LEU C C 740 177.267 177.267 177.737 -0.470 18183 1076 1 2 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.845 -0.011 18183 1077 1 2 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.655 -1.072 18183 1078 1 2 . 1 1 82 82 LEU H H 740 8.939 8.939 8.371 0.568 18183 1079 1 2 . 1 1 83 83 LEU N N 741 116.722 116.722 117.641 -0.919 18183 1080 1 2 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.928 -0.153 18183 1081 1 2 . 1 1 83 83 LEU C C 741 177.528 177.528 178.008 -0.480 18183 1082 1 2 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.255 -0.117 18183 1083 1 2 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.370 0.307 18183 1084 1 2 . 1 1 83 83 LEU H H 741 7.814 7.814 7.912 -0.098 18183 1085 1 2 . 1 1 84 84 GLU N N 742 116.747 116.747 119.387 -2.640 18183 1086 1 2 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.919 -0.052 18183 1087 1 2 . 1 1 84 84 GLU C C 742 178.282 178.282 178.107 0.175 18183 1088 1 2 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.323 -0.184 18183 1089 1 2 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.277 1.156 18183 1090 1 2 . 1 1 84 84 GLU H H 742 7.541 7.541 8.051 -0.510 18183 1091 1 2 . 1 1 85 85 LEU N N 743 122.157 122.157 120.754 1.403 18183 1092 1 2 . 1 1 85 85 LEU HA H 743 1.963 1.963 1.855 0.108 18183 1093 1 2 . 1 1 85 85 LEU C C 743 177.315 177.315 178.170 -0.855 18183 1094 1 2 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.492 1.247 18183 1095 1 2 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.832 -0.117 18183 1096 1 2 . 1 1 85 85 LEU H H 743 7.076 7.076 7.176 -0.100 18183 1097 1 2 . 1 1 86 86 VAL N N 744 119.754 119.754 117.680 2.074 18183 1098 1 2 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.535 -0.745 18183 1099 1 2 . 1 1 86 86 VAL C C 744 177.621 177.621 178.212 -0.591 18183 1100 1 2 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.596 0.248 18183 1101 1 2 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.814 0.151 18183 1102 1 2 . 1 1 86 86 VAL H H 744 8.116 8.116 7.537 0.579 18183 1103 1 2 . 1 1 87 87 GLU N N 745 116.169 116.169 120.327 -4.158 18183 1104 1 2 . 1 1 87 87 GLU HA H 745 3.715 3.715 4.277 -0.562 18183 1105 1 2 . 1 1 87 87 GLU C C 745 179.560 179.560 179.305 0.255 18183 1106 1 2 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.680 -0.358 18183 1107 1 2 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.327 -0.241 18183 1108 1 2 . 1 1 87 87 GLU H H 745 8.168 8.168 7.667 0.501 18183 1109 1 2 . 1 1 88 88 TYR N N 746 120.022 120.022 120.051 -0.029 18183 1110 1 2 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.094 -0.001 18183 1111 1 2 . 1 1 88 88 TYR C C 746 180.010 180.010 178.537 1.473 18183 1112 1 2 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.851 0.743 18183 1113 1 2 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.682 0.146 18183 1114 1 2 . 1 1 88 88 TYR H H 746 7.774 7.774 7.461 0.313 18183 1115 1 2 . 1 1 89 89 TYR N N 747 118.480 118.480 117.944 0.536 18183 1116 1 2 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.482 0.573 18183 1117 1 2 . 1 1 89 89 TYR C C 747 175.796 175.796 178.830 -3.034 18183 1118 1 2 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.276 -0.139 18183 1119 1 2 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.787 -0.857 18183 1120 1 2 . 1 1 89 89 TYR H H 747 7.782 7.782 7.793 -0.011 18183 1121 1 2 . 1 1 90 90 GLN N N 748 118.696 118.696 119.213 -0.517 18183 1122 1 2 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.788 0.601 18183 1123 1 2 . 1 1 90 90 GLN C C 748 177.777 177.777 176.730 1.047 18183 1124 1 2 . 1 1 90 90 GLN CA C 748 57.717 57.717 58.931 -1.214 18183 1125 1 2 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.747 -0.227 18183 1126 1 2 . 1 1 90 90 GLN H H 748 7.838 7.838 8.415 -0.577 18183 1127 1 2 . 1 1 91 91 CYS N N 749 111.118 111.118 113.931 -2.813 18183 1128 1 2 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.463 0.139 18183 1129 1 2 . 1 1 91 91 CYS C C 749 172.887 172.887 173.185 -0.298 18183 1130 1 2 . 1 1 91 91 CYS CA C 749 57.434 57.434 57.547 -0.113 18183 1131 1 2 . 1 1 91 91 CYS CB C 749 29.266 29.266 27.337 1.929 18183 1132 1 2 . 1 1 91 91 CYS H H 749 7.145 7.145 7.444 -0.299 18183 1133 1 2 . 1 1 92 92 HIS N N 750 120.227 120.227 119.664 0.563 18183 1134 1 2 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.644 -0.312 18183 1135 1 2 . 1 1 92 92 HIS C C 750 171.842 171.842 173.847 -2.005 18183 1136 1 2 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.180 -0.103 18183 1137 1 2 . 1 1 92 92 HIS CB C 750 29.376 29.376 32.843 -3.467 18183 1138 1 2 . 1 1 92 92 HIS H H 750 7.470 7.470 7.705 -0.235 18183 1139 1 2 . 1 1 93 93 SER N N 751 113.120 113.120 119.766 -6.646 18183 1140 1 2 . 1 1 93 93 SER HA H 751 3.782 3.782 4.331 -0.549 18183 1141 1 2 . 1 1 93 93 SER C C 751 176.653 176.653 175.318 1.335 18183 1142 1 2 . 1 1 93 93 SER CA C 751 57.812 57.812 59.129 -1.317 18183 1143 1 2 . 1 1 93 93 SER CB C 751 62.783 62.783 63.750 -0.967 18183 1144 1 2 . 1 1 93 93 SER H H 751 8.404 8.404 8.511 -0.107 18183 1145 1 2 . 1 1 94 94 LEU N N 752 127.293 127.293 122.931 4.362 18183 1146 1 2 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.607 -0.538 18183 1147 1 2 . 1 1 94 94 LEU C C 752 177.524 177.524 177.472 0.052 18183 1148 1 2 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.034 3.362 18183 1149 1 2 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.160 2.327 18183 1150 1 2 . 1 1 94 94 LEU H H 752 8.553 8.553 8.369 0.184 18183 1151 1 2 . 1 1 95 95 LYS N N 753 122.249 122.249 119.307 2.942 18183 1152 1 2 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.569 -0.241 18183 1153 1 2 . 1 1 95 95 LYS C C 753 176.426 176.426 178.241 -1.815 18183 1154 1 2 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.508 -0.954 18183 1155 1 2 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.582 0.592 18183 1156 1 2 . 1 1 95 95 LYS H H 753 8.303 8.303 8.309 -0.006 18183 1157 1 2 . 1 1 96 96 GLU N N 754 115.401 115.401 118.355 -2.954 18183 1158 1 2 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.120 -0.035 18183 1159 1 2 . 1 1 96 96 GLU C C 754 176.838 176.838 177.674 -0.836 18183 1160 1 2 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.914 -0.817 18183 1161 1 2 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.623 -0.123 18183 1162 1 2 . 1 1 96 96 GLU H H 754 7.188 7.188 8.235 -1.047 18183 1163 1 2 . 1 1 97 97 SER N N 755 113.852 113.852 112.653 1.199 18183 1164 1 2 . 1 1 97 97 SER HA H 755 4.402 4.402 4.483 -0.081 18183 1165 1 2 . 1 1 97 97 SER C C 755 172.067 172.067 174.208 -2.141 18183 1166 1 2 . 1 1 97 97 SER CA C 755 59.448 59.448 59.293 0.155 18183 1167 1 2 . 1 1 97 97 SER CB C 755 65.680 65.680 64.916 0.764 18183 1168 1 2 . 1 1 97 97 SER H H 755 7.838 7.838 7.657 0.181 18183 1169 1 2 . 1 1 98 98 PHE N N 756 121.742 121.742 122.298 -0.556 18183 1170 1 2 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.753 -0.183 18183 1171 1 2 . 1 1 98 98 PHE C C 756 174.941 174.941 175.591 -0.650 18183 1172 1 2 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.894 -0.146 18183 1173 1 2 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.272 0.009 18183 1174 1 2 . 1 1 98 98 PHE H H 756 8.223 8.223 8.518 -0.295 18183 1175 1 2 . 1 1 99 99 LYS N N 757 122.713 122.713 127.229 -4.516 18183 1176 1 2 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.015 0.056 18183 1177 1 2 . 1 1 99 99 LYS C C 757 176.793 176.793 177.363 -0.570 18183 1178 1 2 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.350 -0.193 18183 1179 1 2 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.625 -0.292 18183 1180 1 2 . 1 1 99 99 LYS H H 757 8.388 8.388 8.835 -0.447 18183 1181 1 2 . 1 1 100 100 GLN N N 758 114.972 114.972 115.856 -0.884 18183 1182 1 2 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.266 -0.105 18183 1183 1 2 . 1 1 100 100 GLN C C 758 175.591 175.591 176.131 -0.540 18183 1184 1 2 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.522 -0.053 18183 1185 1 2 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.676 -0.689 18183 1186 1 2 . 1 1 100 100 GLN H H 758 8.662 8.662 8.368 0.294 18183 1187 1 2 . 1 1 101 101 LEU N N 759 124.472 124.472 122.244 2.228 18183 1188 1 2 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.503 -0.824 18183 1189 1 2 . 1 1 101 101 LEU C C 759 173.228 173.228 174.822 -1.594 18183 1190 1 2 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.825 -2.500 18183 1191 1 2 . 1 1 101 101 LEU CB C 759 41.512 41.512 43.327 -1.815 18183 1192 1 2 . 1 1 101 101 LEU H H 759 7.884 7.884 7.500 0.384 18183 1193 1 2 . 1 1 102 102 ASP N N 760 119.321 119.321 122.795 -3.474 18183 1194 1 2 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.785 -0.300 18183 1195 1 2 . 1 1 102 102 ASP C C 760 173.467 173.467 174.326 -0.859 18183 1196 1 2 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.867 -1.742 18183 1197 1 2 . 1 1 102 102 ASP CB C 760 39.028 39.028 41.832 -2.804 18183 1198 1 2 . 1 1 102 102 ASP H H 760 6.594 6.594 8.714 -2.120 18183 1199 1 2 . 1 1 103 103 THR N N 761 117.213 117.213 114.142 3.071 18183 1200 1 2 . 1 1 103 103 THR HA H 761 4.643 4.643 4.367 0.276 18183 1201 1 2 . 1 1 103 103 THR C C 761 172.158 172.158 172.487 -0.329 18183 1202 1 2 . 1 1 103 103 THR CA C 761 60.197 60.197 60.001 0.196 18183 1203 1 2 . 1 1 103 103 THR CB C 761 69.046 69.046 69.244 -0.198 18183 1204 1 2 . 1 1 103 103 THR H H 761 7.637 7.637 7.479 0.158 18183 1205 1 2 . 1 1 104 104 THR N N 762 114.193 114.193 112.803 1.390 18183 1206 1 2 . 1 1 104 104 THR HA H 762 4.569 4.569 4.364 0.205 18183 1207 1 2 . 1 1 104 104 THR C C 762 175.698 175.698 173.320 2.378 18183 1208 1 2 . 1 1 104 104 THR CA C 762 60.808 60.808 59.332 1.476 18183 1209 1 2 . 1 1 104 104 THR CB C 762 70.636 70.636 71.536 -0.900 18183 1210 1 2 . 1 1 104 104 THR H H 762 7.284 7.284 7.744 -0.460 18183 1211 1 2 . 1 1 105 105 LEU N N 763 117.473 117.473 121.613 -4.140 18183 1212 1 2 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.669 -0.206 18183 1213 1 2 . 1 1 105 105 LEU C C 763 174.348 174.348 176.385 -2.037 18183 1214 1 2 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.592 -1.610 18183 1215 1 2 . 1 1 105 105 LEU CB C 763 35.683 35.683 40.157 -4.474 18183 1216 1 2 . 1 1 105 105 LEU H H 763 8.093 8.093 8.413 -0.320 18183 1217 1 2 . 1 1 106 106 LYS N N 764 127.491 127.491 124.717 2.774 18183 1218 1 2 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.124 -0.166 18183 1219 1 2 . 1 1 106 106 LYS C C 764 176.734 176.734 176.052 0.682 18183 1220 1 2 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.385 2.312 18183 1221 1 2 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.989 1.178 18183 1222 1 2 . 1 1 106 106 LYS H H 764 7.118 7.118 8.109 -0.991 18183 1223 1 2 . 1 1 107 107 TYR N N 765 115.804 115.804 116.619 -0.815 18183 1224 1 2 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.972 0.492 18183 1225 1 2 . 1 1 107 107 TYR C C 765 172.048 172.048 172.661 -0.613 18183 1226 1 2 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.033 -2.514 18183 1227 1 2 . 1 1 107 107 TYR CB C 765 40.376 40.376 39.130 1.246 18183 1228 1 2 . 1 1 107 107 TYR H H 765 7.848 7.848 8.176 -0.328 18183 1229 1 2 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.035 -0.409 18183 1230 1 2 . 1 1 108 108 PRO C C 766 180.469 180.469 176.478 3.991 18183 1231 1 2 . 1 1 109 109 TYR N N 767 122.791 122.791 116.940 5.851 18183 1232 1 2 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.091 -0.307 18183 1233 1 2 . 1 1 109 109 TYR C C 767 174.575 174.575 177.325 -2.750 18183 1234 1 2 . 1 1 109 109 TYR CA C 767 60.986 60.986 58.883 2.103 18183 1235 1 2 . 1 1 109 109 TYR CB C 767 37.626 37.626 38.807 -1.181 18183 1236 1 2 . 1 1 109 109 TYR H H 767 8.306 8.306 8.447 -0.141 18183 1237 1 2 . 1 1 110 110 LYS N N 768 118.817 118.817 120.866 -2.049 18183 1238 1 2 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.795 0.108 18183 1239 1 2 . 1 1 110 110 LYS C C 768 176.259 176.259 176.942 -0.683 18183 1240 1 2 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.415 -1.820 18183 1241 1 2 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.239 0.366 18183 1242 1 2 . 1 1 110 110 LYS H H 768 6.785 6.785 7.741 -0.956 18183 1243 1 2 . 1 1 111 111 SER N N 769 114.539 114.539 114.167 0.372 18183 1244 1 2 . 1 1 111 111 SER HA H 769 4.317 4.317 4.571 -0.254 18183 1245 1 2 . 1 1 111 111 SER C C 769 174.092 174.092 173.087 1.005 18183 1246 1 2 . 1 1 111 111 SER CA C 769 58.647 58.647 57.987 0.660 18183 1247 1 2 . 1 1 111 111 SER CB C 769 63.883 63.883 64.171 -0.288 18183 1248 1 2 . 1 1 111 111 SER H H 769 7.765 7.765 8.187 -0.422 18183 1249 1 2 . 1 1 112 112 ARG N N 770 122.458 122.458 123.928 -1.470 18183 1250 1 2 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.244 0.078 18183 1251 1 2 . 1 1 112 112 ARG C C 770 175.130 175.130 176.101 -0.971 18183 1252 1 2 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.391 -0.727 18183 1253 1 2 . 1 1 112 112 ARG CB C 770 30.880 30.880 30.070 0.810 18183 1254 1 2 . 1 1 112 112 ARG H H 770 8.082 8.082 8.491 -0.409 18183 1255 1 3 . 1 1 2 2 ARG N N 660 123.546 123.546 123.356 0.190 18183 1256 1 3 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.688 -0.112 18183 1257 1 3 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.558 -0.708 18183 1258 1 3 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.373 -0.026 18183 1259 1 3 . 1 1 2 2 ARG H H 660 8.258 8.258 8.529 -0.271 18183 1260 1 3 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.484 -0.128 18183 1261 1 3 . 1 1 4 4 PRO C C 662 177.047 177.047 176.196 0.851 18183 1262 1 3 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.824 0.397 18183 1263 1 3 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.444 -0.469 18183 1264 1 3 . 1 1 5 5 SER N N 663 116.108 116.108 114.591 1.517 18183 1265 1 3 . 1 1 5 5 SER HA H 663 4.335 4.335 4.702 -0.367 18183 1266 1 3 . 1 1 5 5 SER C C 663 174.708 174.708 174.220 0.488 18183 1267 1 3 . 1 1 5 5 SER CA C 663 58.639 58.639 58.105 0.534 18183 1268 1 3 . 1 1 5 5 SER CB C 663 63.849 63.849 63.636 0.213 18183 1269 1 3 . 1 1 5 5 SER H H 663 8.385 8.385 8.442 -0.057 18183 1270 1 3 . 1 1 6 6 ARG N N 664 122.132 122.132 121.107 1.025 18183 1271 1 3 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.336 -0.017 18183 1272 1 3 . 1 1 6 6 ARG C C 664 175.951 175.951 174.632 1.319 18183 1273 1 3 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.479 -0.548 18183 1274 1 3 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.418 0.414 18183 1275 1 3 . 1 1 6 6 ARG H H 664 8.347 8.347 8.470 -0.123 18183 1276 1 3 . 1 1 7 7 GLU N N 665 122.268 122.268 119.634 2.634 18183 1277 1 3 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.409 -0.147 18183 1278 1 3 . 1 1 7 7 GLU C C 665 175.809 175.809 174.706 1.103 18183 1279 1 3 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.201 -0.031 18183 1280 1 3 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.905 -0.997 18183 1281 1 3 . 1 1 7 7 GLU H H 665 8.336 8.336 7.727 0.609 18183 1282 1 3 . 1 1 8 8 ILE N N 666 123.984 123.984 122.537 1.447 18183 1283 1 3 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.126 -0.346 18183 1284 1 3 . 1 1 8 8 ILE C C 666 174.325 174.325 175.973 -1.648 18183 1285 1 3 . 1 1 8 8 ILE CA C 666 60.809 60.809 61.032 -0.223 18183 1286 1 3 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.410 0.823 18183 1287 1 3 . 1 1 8 8 ILE H H 666 7.920 7.920 8.246 -0.326 18183 1288 1 3 . 1 1 9 9 ASP N N 667 124.228 124.228 126.260 -2.032 18183 1289 1 3 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.647 -0.079 18183 1290 1 3 . 1 1 9 9 ASP C C 667 177.001 177.001 175.989 1.012 18183 1291 1 3 . 1 1 9 9 ASP CA C 667 51.991 51.991 52.731 -0.740 18183 1292 1 3 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.424 0.886 18183 1293 1 3 . 1 1 9 9 ASP H H 667 8.072 8.072 8.454 -0.382 18183 1294 1 3 . 1 1 10 10 TYR N N 668 125.329 125.329 120.109 5.220 18183 1295 1 3 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.335 -0.207 18183 1296 1 3 . 1 1 10 10 TYR C C 668 175.901 175.901 177.299 -1.398 18183 1297 1 3 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.142 0.415 18183 1298 1 3 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.507 -1.341 18183 1299 1 3 . 1 1 10 10 TYR H H 668 8.493 8.493 7.365 1.128 18183 1300 1 3 . 1 1 11 11 THR N N 669 108.533 108.533 110.275 -1.742 18183 1301 1 3 . 1 1 11 11 THR HA H 669 4.082 4.082 3.427 0.655 18183 1302 1 3 . 1 1 11 11 THR C C 669 175.170 175.170 175.079 0.091 18183 1303 1 3 . 1 1 11 11 THR CA C 669 64.701 64.701 64.009 0.692 18183 1304 1 3 . 1 1 11 11 THR CB C 669 68.924 68.924 68.209 0.715 18183 1305 1 3 . 1 1 11 11 THR H H 669 7.948 7.948 7.564 0.384 18183 1306 1 3 . 1 1 12 12 ALA N N 670 121.252 121.252 122.422 -1.170 18183 1307 1 3 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.051 -0.028 18183 1308 1 3 . 1 1 12 12 ALA C C 670 177.747 177.747 177.746 0.001 18183 1309 1 3 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.983 -0.484 18183 1310 1 3 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.757 0.470 18183 1311 1 3 . 1 1 12 12 ALA H H 670 7.366 7.366 7.335 0.031 18183 1312 1 3 . 1 1 13 13 TYR N N 671 117.895 117.895 117.923 -0.028 18183 1313 1 3 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.088 0.164 18183 1314 1 3 . 1 1 13 13 TYR C C 671 176.545 176.545 175.498 1.047 18183 1315 1 3 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.339 0.133 18183 1316 1 3 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.189 -0.630 18183 1317 1 3 . 1 1 13 13 TYR H H 671 7.490 7.490 7.100 0.390 18183 1318 1 3 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.297 0.003 18183 1319 1 3 . 1 1 14 14 PRO C C 672 173.638 173.638 176.812 -3.174 18183 1320 1 3 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.131 -0.380 18183 1321 1 3 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.161 -0.917 18183 1322 1 3 . 1 1 15 15 TRP N N 673 109.940 109.940 116.289 -6.349 18183 1323 1 3 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.657 0.049 18183 1324 1 3 . 1 1 15 15 TRP C C 673 175.471 175.471 176.994 -1.523 18183 1325 1 3 . 1 1 15 15 TRP CA C 673 52.850 52.850 56.273 -3.423 18183 1326 1 3 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.959 3.477 18183 1327 1 3 . 1 1 15 15 TRP H H 673 6.184 6.184 7.364 -1.180 18183 1328 1 3 . 1 1 16 16 PHE N N 674 123.228 123.228 119.801 3.427 18183 1329 1 3 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.482 0.619 18183 1330 1 3 . 1 1 16 16 PHE C C 674 174.684 174.684 174.923 -0.239 18183 1331 1 3 . 1 1 16 16 PHE CA C 674 59.566 59.566 59.648 -0.082 18183 1332 1 3 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.638 -0.670 18183 1333 1 3 . 1 1 16 16 PHE H H 674 7.585 7.585 7.643 -0.058 18183 1334 1 3 . 1 1 17 17 ALA N N 675 130.573 130.573 124.152 6.421 18183 1335 1 3 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.666 0.176 18183 1336 1 3 . 1 1 17 17 ALA C C 675 177.161 177.161 177.182 -0.021 18183 1337 1 3 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.966 -0.798 18183 1338 1 3 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.086 0.882 18183 1339 1 3 . 1 1 17 17 ALA H H 675 9.004 9.004 8.525 0.479 18183 1340 1 3 . 1 1 18 18 GLY C C 676 174.000 174.000 172.794 1.206 18183 1341 1 3 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.727 1.763 18183 1342 1 3 . 1 1 19 19 ASN N N 677 124.182 124.182 120.992 3.190 18183 1343 1 3 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.114 -0.108 18183 1344 1 3 . 1 1 19 19 ASN C C 677 174.916 174.916 175.147 -0.231 18183 1345 1 3 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.788 -0.183 18183 1346 1 3 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.663 -0.599 18183 1347 1 3 . 1 1 19 19 ASN H H 677 8.657 8.657 8.551 0.106 18183 1348 1 3 . 1 1 20 20 MET N N 678 122.806 122.806 120.670 2.136 18183 1349 1 3 . 1 1 20 20 MET HA H 678 4.173 4.173 4.631 -0.458 18183 1350 1 3 . 1 1 20 20 MET C C 678 175.317 175.317 175.095 0.222 18183 1351 1 3 . 1 1 20 20 MET CA C 678 56.274 56.274 53.971 2.303 18183 1352 1 3 . 1 1 20 20 MET CB C 678 35.581 35.581 35.376 0.205 18183 1353 1 3 . 1 1 20 20 MET H H 678 7.158 7.158 7.920 -0.762 18183 1354 1 3 . 1 1 21 21 GLU N N 679 124.655 124.655 118.734 5.921 18183 1355 1 3 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.592 -0.391 18183 1356 1 3 . 1 1 21 21 GLU C C 679 178.105 178.105 176.701 1.404 18183 1357 1 3 . 1 1 21 21 GLU CA C 679 56.016 56.016 54.818 1.198 18183 1358 1 3 . 1 1 21 21 GLU CB C 679 30.890 30.890 31.039 -0.149 18183 1359 1 3 . 1 1 21 21 GLU H H 679 8.687 8.687 8.481 0.206 18183 1360 1 3 . 1 1 22 22 ARG N N 680 125.764 125.764 122.857 2.907 18183 1361 1 3 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.847 -0.567 18183 1362 1 3 . 1 1 22 22 ARG C C 680 177.559 177.559 178.634 -1.075 18183 1363 1 3 . 1 1 22 22 ARG CA C 680 61.054 61.054 59.748 1.306 18183 1364 1 3 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.204 -0.337 18183 1365 1 3 . 1 1 22 22 ARG H H 680 9.191 9.191 8.832 0.359 18183 1366 1 3 . 1 1 23 23 GLN N N 681 118.109 118.109 118.423 -0.314 18183 1367 1 3 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.110 -0.117 18183 1368 1 3 . 1 1 23 23 GLN C C 681 178.252 178.252 178.415 -0.163 18183 1369 1 3 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.350 0.249 18183 1370 1 3 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.981 -0.216 18183 1371 1 3 . 1 1 23 23 GLN H H 681 9.085 9.085 8.552 0.533 18183 1372 1 3 . 1 1 24 24 GLN N N 682 118.128 118.128 117.192 0.936 18183 1373 1 3 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.063 -0.012 18183 1374 1 3 . 1 1 24 24 GLN C C 682 178.328 178.328 178.413 -0.085 18183 1375 1 3 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.026 -0.261 18183 1376 1 3 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.555 -0.323 18183 1377 1 3 . 1 1 24 24 GLN H H 682 7.287 7.287 8.017 -0.730 18183 1378 1 3 . 1 1 25 25 THR N N 683 116.436 116.436 115.331 1.105 18183 1379 1 3 . 1 1 25 25 THR HA H 683 3.641 3.641 3.950 -0.309 18183 1380 1 3 . 1 1 25 25 THR CA C 683 67.504 67.504 67.513 -0.009 18183 1381 1 3 . 1 1 25 25 THR CB C 683 67.667 67.667 68.367 -0.700 18183 1382 1 3 . 1 1 25 25 THR H H 683 7.813 7.813 7.984 -0.171 18183 1383 1 3 . 1 1 26 26 ASP N N 684 123.084 123.084 120.949 2.135 18183 1384 1 3 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.471 -0.243 18183 1385 1 3 . 1 1 26 26 ASP C C 684 178.426 178.426 177.968 0.458 18183 1386 1 3 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.122 0.898 18183 1387 1 3 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.141 -1.315 18183 1388 1 3 . 1 1 26 26 ASP H H 684 8.384 8.384 7.696 0.688 18183 1389 1 3 . 1 1 27 27 ASN N N 685 116.068 116.068 118.197 -2.129 18183 1390 1 3 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.498 -0.179 18183 1391 1 3 . 1 1 27 27 ASN C C 685 177.207 177.207 178.035 -0.828 18183 1392 1 3 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.450 0.297 18183 1393 1 3 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.456 -0.259 18183 1394 1 3 . 1 1 27 27 ASN H H 685 7.667 7.667 7.619 0.048 18183 1395 1 3 . 1 1 28 28 LEU N N 686 120.906 120.906 121.129 -0.223 18183 1396 1 3 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.132 0.037 18183 1397 1 3 . 1 1 28 28 LEU C C 686 179.394 179.394 177.702 1.692 18183 1398 1 3 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.706 0.115 18183 1399 1 3 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.973 0.719 18183 1400 1 3 . 1 1 28 28 LEU H H 686 7.993 7.993 8.159 -0.166 18183 1401 1 3 . 1 1 29 29 LEU N N 687 114.941 114.941 114.161 0.780 18183 1402 1 3 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.675 -0.624 18183 1403 1 3 . 1 1 29 29 LEU C C 687 178.742 178.742 178.931 -0.189 18183 1404 1 3 . 1 1 29 29 LEU CA C 687 56.437 56.437 55.387 1.050 18183 1405 1 3 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.064 1.778 18183 1406 1 3 . 1 1 29 29 LEU H H 687 8.166 8.166 7.641 0.525 18183 1407 1 3 . 1 1 30 30 LYS N N 688 118.446 118.446 120.898 -2.452 18183 1408 1 3 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.044 -0.331 18183 1409 1 3 . 1 1 30 30 LYS C C 688 177.260 177.260 177.731 -0.471 18183 1410 1 3 . 1 1 30 30 LYS CA C 688 60.478 60.478 59.191 1.287 18183 1411 1 3 . 1 1 30 30 LYS CB C 688 32.084 32.084 31.858 0.226 18183 1412 1 3 . 1 1 30 30 LYS H H 688 7.635 7.635 7.712 -0.077 18183 1413 1 3 . 1 1 31 31 SER N N 689 111.039 111.039 113.308 -2.269 18183 1414 1 3 . 1 1 31 31 SER HA H 689 4.417 4.417 4.358 0.059 18183 1415 1 3 . 1 1 31 31 SER C C 689 174.495 174.495 175.067 -0.572 18183 1416 1 3 . 1 1 31 31 SER CA C 689 58.387 58.387 58.601 -0.214 18183 1417 1 3 . 1 1 31 31 SER CB C 689 63.281 63.281 63.819 -0.538 18183 1418 1 3 . 1 1 31 31 SER H H 689 7.709 7.709 7.856 -0.147 18183 1419 1 3 . 1 1 32 32 HIS N N 690 120.253 120.253 123.469 -3.216 18183 1420 1 3 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.486 0.090 18183 1421 1 3 . 1 1 32 32 HIS C C 690 173.913 173.913 175.082 -1.169 18183 1422 1 3 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.317 -1.241 18183 1423 1 3 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.378 1.475 18183 1424 1 3 . 1 1 32 32 HIS H H 690 7.647 7.647 7.888 -0.241 18183 1425 1 3 . 1 1 33 33 ALA N N 691 120.403 120.403 123.109 -2.706 18183 1426 1 3 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.638 -0.360 18183 1427 1 3 . 1 1 33 33 ALA C C 691 179.503 179.503 176.566 2.937 18183 1428 1 3 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.320 0.398 18183 1429 1 3 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.924 -0.655 18183 1430 1 3 . 1 1 33 33 ALA H H 691 8.452 8.452 8.569 -0.117 18183 1431 1 3 . 1 1 34 34 SER N N 692 117.464 117.464 115.306 2.158 18183 1432 1 3 . 1 1 34 34 SER HA H 692 4.047 4.047 4.429 -0.382 18183 1433 1 3 . 1 1 34 34 SER C C 692 175.307 175.307 175.514 -0.207 18183 1434 1 3 . 1 1 34 34 SER CA C 692 60.434 60.434 59.340 1.095 18183 1435 1 3 . 1 1 34 34 SER CB C 692 63.132 63.132 63.511 -0.379 18183 1436 1 3 . 1 1 34 34 SER H H 692 9.002 9.002 8.427 0.575 18183 1437 1 3 . 1 1 35 35 GLY N N 693 113.364 113.364 113.860 -0.496 18183 1438 1 3 . 1 1 35 35 GLY C C 693 174.739 174.739 173.640 1.099 18183 1439 1 3 . 1 1 35 35 GLY CA C 693 44.850 44.850 44.975 -0.125 18183 1440 1 3 . 1 1 35 35 GLY H H 693 9.873 9.873 9.168 0.705 18183 1441 1 3 . 1 1 36 36 THR N N 694 120.932 120.932 118.403 2.529 18183 1442 1 3 . 1 1 36 36 THR HA H 694 5.923 5.923 5.770 0.153 18183 1443 1 3 . 1 1 36 36 THR C C 694 173.253 173.253 173.568 -0.315 18183 1444 1 3 . 1 1 36 36 THR CA C 694 63.429 63.429 61.027 2.402 18183 1445 1 3 . 1 1 36 36 THR CB C 694 68.091 68.091 69.906 -1.815 18183 1446 1 3 . 1 1 36 36 THR H H 694 8.240 8.240 7.506 0.734 18183 1447 1 3 . 1 1 37 37 TYR N N 695 123.567 123.567 124.136 -0.569 18183 1448 1 3 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.531 0.445 18183 1449 1 3 . 1 1 37 37 TYR C C 695 171.737 171.737 173.094 -1.357 18183 1450 1 3 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.837 0.398 18183 1451 1 3 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.415 2.874 18183 1452 1 3 . 1 1 37 37 TYR H H 695 8.765 8.765 8.466 0.299 18183 1453 1 3 . 1 1 38 38 LEU N N 696 115.294 115.294 118.758 -3.464 18183 1454 1 3 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.281 -0.178 18183 1455 1 3 . 1 1 38 38 LEU C C 696 174.368 174.368 174.598 -0.230 18183 1456 1 3 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.243 -0.411 18183 1457 1 3 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.786 0.508 18183 1458 1 3 . 1 1 38 38 LEU H H 696 9.008 9.008 9.099 -0.091 18183 1459 1 3 . 1 1 39 39 ILE N N 697 122.087 122.087 121.518 0.569 18183 1460 1 3 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.635 0.658 18183 1461 1 3 . 1 1 39 39 ILE C C 697 173.625 173.625 174.517 -0.892 18183 1462 1 3 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.232 -0.426 18183 1463 1 3 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.365 -1.599 18183 1464 1 3 . 1 1 39 39 ILE H H 697 9.276 9.276 8.358 0.918 18183 1465 1 3 . 1 1 40 40 ARG N N 698 123.307 123.307 123.028 0.279 18183 1466 1 3 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.626 0.518 18183 1467 1 3 . 1 1 40 40 ARG C C 698 173.789 173.789 174.223 -0.434 18183 1468 1 3 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.597 -1.426 18183 1469 1 3 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.801 -0.375 18183 1470 1 3 . 1 1 40 40 ARG H H 698 9.032 9.032 8.751 0.281 18183 1471 1 3 . 1 1 41 41 GLU N N 699 122.502 122.502 120.733 1.769 18183 1472 1 3 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.333 0.658 18183 1473 1 3 . 1 1 41 41 GLU C C 699 175.788 175.788 175.072 0.716 18183 1474 1 3 . 1 1 41 41 GLU CA C 699 54.839 54.839 54.877 -0.038 18183 1475 1 3 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.444 -0.521 18183 1476 1 3 . 1 1 41 41 GLU H H 699 8.453 8.453 8.378 0.075 18183 1477 1 3 . 1 1 42 42 ARG N N 700 125.039 125.039 123.341 1.698 18183 1478 1 3 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.758 -0.104 18183 1479 1 3 . 1 1 42 42 ARG H H 700 8.844 8.844 7.919 0.925 18183 1480 1 3 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.367 -0.152 18183 1481 1 3 . 1 1 43 43 PRO C C 701 176.485 176.485 175.588 0.897 18183 1482 1 3 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.448 0.582 18183 1483 1 3 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.154 0.296 18183 1484 1 3 . 1 1 44 44 ALA N N 702 120.718 120.718 128.535 -7.817 18183 1485 1 3 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.560 -0.317 18183 1486 1 3 . 1 1 44 44 ALA C C 702 176.924 176.924 177.311 -0.387 18183 1487 1 3 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.500 0.568 18183 1488 1 3 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.212 -0.785 18183 1489 1 3 . 1 1 44 44 ALA H H 702 8.217 8.217 7.886 0.331 18183 1490 1 3 . 1 1 45 45 GLU N N 703 118.107 118.107 120.104 -1.997 18183 1491 1 3 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.247 0.058 18183 1492 1 3 . 1 1 45 45 GLU C C 703 176.308 176.308 176.716 -0.408 18183 1493 1 3 . 1 1 45 45 GLU H H 703 7.638 7.638 8.827 -1.189 18183 1494 1 3 . 1 1 46 46 ALA N N 704 122.161 122.161 120.374 1.787 18183 1495 1 3 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.448 -0.313 18183 1496 1 3 . 1 1 46 46 ALA C C 704 178.439 178.439 176.825 1.614 18183 1497 1 3 . 1 1 46 46 ALA H H 704 8.596 8.596 7.744 0.852 18183 1498 1 3 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.380 0.266 18183 1499 1 3 . 1 1 47 47 GLU C C 705 175.340 175.340 175.999 -0.659 18183 1500 1 3 . 1 1 47 47 GLU H H 705 7.642 7.642 8.630 -0.988 18183 1501 1 3 . 1 1 48 48 ARG N N 706 122.871 122.871 122.048 0.823 18183 1502 1 3 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.586 0.054 18183 1503 1 3 . 1 1 48 48 ARG C C 706 175.645 175.645 174.466 1.179 18183 1504 1 3 . 1 1 48 48 ARG H H 706 8.163 8.163 8.330 -0.167 18183 1505 1 3 . 1 1 49 49 PHE N N 707 113.719 113.719 120.046 -6.327 18183 1506 1 3 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.856 0.928 18183 1507 1 3 . 1 1 49 49 PHE C C 707 174.536 174.536 174.182 0.354 18183 1508 1 3 . 1 1 49 49 PHE H H 707 8.370 8.370 7.572 0.798 18183 1509 1 3 . 1 1 50 50 ALA N N 708 119.650 119.650 124.654 -5.004 18183 1510 1 3 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.403 -0.283 18183 1511 1 3 . 1 1 50 50 ALA C C 708 175.964 175.964 175.233 0.731 18183 1512 1 3 . 1 1 50 50 ALA CA C 708 51.013 51.013 51.057 -0.044 18183 1513 1 3 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.515 -0.635 18183 1514 1 3 . 1 1 50 50 ALA H H 708 8.868 8.868 8.403 0.465 18183 1515 1 3 . 1 1 51 51 ILE N N 709 121.077 121.077 123.743 -2.666 18183 1516 1 3 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.403 0.244 18183 1517 1 3 . 1 1 51 51 ILE C C 709 175.049 175.049 174.914 0.135 18183 1518 1 3 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.488 0.011 18183 1519 1 3 . 1 1 51 51 ILE CB C 709 39.996 39.996 39.355 0.641 18183 1520 1 3 . 1 1 51 51 ILE H H 709 9.130 9.130 8.922 0.208 18183 1521 1 3 . 1 1 52 52 SER N N 710 125.122 125.122 122.926 2.196 18183 1522 1 3 . 1 1 52 52 SER HA H 710 5.454 5.454 5.800 -0.346 18183 1523 1 3 . 1 1 52 52 SER C C 710 172.024 172.024 173.324 -1.300 18183 1524 1 3 . 1 1 52 52 SER CA C 710 57.614 57.614 57.199 0.415 18183 1525 1 3 . 1 1 52 52 SER CB C 710 64.989 64.989 64.567 0.422 18183 1526 1 3 . 1 1 52 52 SER H H 710 9.204 9.204 8.794 0.410 18183 1527 1 3 . 1 1 53 53 ILE N N 711 121.512 121.512 125.372 -3.860 18183 1528 1 3 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.284 -0.145 18183 1529 1 3 . 1 1 53 53 ILE C C 711 173.093 173.093 173.332 -0.239 18183 1530 1 3 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.151 -1.518 18183 1531 1 3 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.266 -0.443 18183 1532 1 3 . 1 1 53 53 ILE H H 711 8.825 8.825 9.143 -0.318 18183 1533 1 3 . 1 1 54 54 LYS N N 712 128.814 128.814 124.975 3.839 18183 1534 1 3 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.189 -0.434 18183 1535 1 3 . 1 1 54 54 LYS C C 712 174.850 174.850 174.757 0.093 18183 1536 1 3 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.667 -0.422 18183 1537 1 3 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.704 -0.370 18183 1538 1 3 . 1 1 54 54 LYS H H 712 8.863 8.863 8.817 0.046 18183 1539 1 3 . 1 1 55 55 PHE N N 713 130.119 130.119 125.796 4.323 18183 1540 1 3 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.686 0.182 18183 1541 1 3 . 1 1 55 55 PHE C C 713 174.223 174.223 173.790 0.433 18183 1542 1 3 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.752 0.397 18183 1543 1 3 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.512 -1.910 18183 1544 1 3 . 1 1 55 55 PHE H H 713 9.373 9.373 8.836 0.537 18183 1545 1 3 . 1 1 56 56 ASN N N 714 125.766 125.766 122.213 3.553 18183 1546 1 3 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.165 -0.267 18183 1547 1 3 . 1 1 56 56 ASN C C 714 173.945 173.945 174.057 -0.112 18183 1548 1 3 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.821 1.185 18183 1549 1 3 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.454 -1.492 18183 1550 1 3 . 1 1 56 56 ASN H H 714 8.364 8.364 8.325 0.039 18183 1551 1 3 . 1 1 57 57 ASP N N 715 117.708 117.708 114.765 2.943 18183 1552 1 3 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.258 0.293 18183 1553 1 3 . 1 1 57 57 ASP C C 715 174.766 174.766 174.768 -0.002 18183 1554 1 3 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.664 -0.619 18183 1555 1 3 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.426 0.151 18183 1556 1 3 . 1 1 57 57 ASP H H 715 8.536 8.536 8.665 -0.129 18183 1557 1 3 . 1 1 58 58 GLU N N 716 118.715 118.715 116.422 2.293 18183 1558 1 3 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.576 0.089 18183 1559 1 3 . 1 1 58 58 GLU C C 716 173.786 173.786 174.276 -0.490 18183 1560 1 3 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.136 -0.194 18183 1561 1 3 . 1 1 58 58 GLU CB C 716 34.163 34.163 33.904 0.259 18183 1562 1 3 . 1 1 58 58 GLU H H 716 7.873 7.873 7.729 0.144 18183 1563 1 3 . 1 1 59 59 VAL N N 717 120.798 120.798 122.427 -1.629 18183 1564 1 3 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.773 -0.400 18183 1565 1 3 . 1 1 59 59 VAL C C 717 175.325 175.325 175.700 -0.375 18183 1566 1 3 . 1 1 59 59 VAL CA C 717 61.939 61.939 60.751 1.188 18183 1567 1 3 . 1 1 59 59 VAL CB C 717 32.017 32.017 30.373 1.644 18183 1568 1 3 . 1 1 59 59 VAL H H 717 8.473 8.473 8.616 -0.143 18183 1569 1 3 . 1 1 60 60 LYS N N 718 127.136 127.136 126.583 0.553 18183 1570 1 3 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.369 0.062 18183 1571 1 3 . 1 1 60 60 LYS C C 718 174.439 174.439 175.494 -1.055 18183 1572 1 3 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.810 -2.001 18183 1573 1 3 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.046 -0.941 18183 1574 1 3 . 1 1 60 60 LYS H H 718 8.903 8.903 8.151 0.752 18183 1575 1 3 . 1 1 61 61 HIS N N 719 119.956 119.956 122.108 -2.152 18183 1576 1 3 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.011 0.212 18183 1577 1 3 . 1 1 61 61 HIS C C 719 175.173 175.173 174.637 0.536 18183 1578 1 3 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.208 0.952 18183 1579 1 3 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.440 2.442 18183 1580 1 3 . 1 1 61 61 HIS H H 719 8.422 8.422 8.451 -0.029 18183 1581 1 3 . 1 1 62 62 ILE N N 720 126.629 126.629 125.605 1.024 18183 1582 1 3 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.125 0.011 18183 1583 1 3 . 1 1 62 62 ILE C C 720 175.372 175.372 175.626 -0.254 18183 1584 1 3 . 1 1 62 62 ILE CA C 720 59.976 59.976 59.596 0.380 18183 1585 1 3 . 1 1 62 62 ILE CB C 720 41.028 41.028 37.612 3.416 18183 1586 1 3 . 1 1 62 62 ILE H H 720 9.646 9.646 8.824 0.822 18183 1587 1 3 . 1 1 63 63 LYS N N 721 127.276 127.276 127.949 -0.673 18183 1588 1 3 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.438 -0.211 18183 1589 1 3 . 1 1 63 63 LYS C C 721 174.877 174.877 175.722 -0.845 18183 1590 1 3 . 1 1 63 63 LYS CA C 721 57.540 57.540 56.202 1.338 18183 1591 1 3 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.282 -0.233 18183 1592 1 3 . 1 1 63 63 LYS H H 721 8.741 8.741 8.728 0.013 18183 1593 1 3 . 1 1 64 64 VAL N N 722 123.343 123.343 126.398 -3.055 18183 1594 1 3 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.275 -0.102 18183 1595 1 3 . 1 1 64 64 VAL C C 722 174.522 174.522 174.260 0.262 18183 1596 1 3 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.426 0.069 18183 1597 1 3 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.148 -2.756 18183 1598 1 3 . 1 1 64 64 VAL H H 722 8.166 8.166 8.141 0.025 18183 1599 1 3 . 1 1 65 65 VAL N N 723 127.934 127.934 127.071 0.863 18183 1600 1 3 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.543 -0.397 18183 1601 1 3 . 1 1 65 65 VAL C C 723 174.212 174.212 174.492 -0.280 18183 1602 1 3 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.273 1.478 18183 1603 1 3 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.522 -1.243 18183 1604 1 3 . 1 1 65 65 VAL H H 723 8.469 8.469 8.511 -0.042 18183 1605 1 3 . 1 1 66 66 GLU N N 724 125.632 125.632 126.109 -0.477 18183 1606 1 3 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.413 -0.257 18183 1607 1 3 . 1 1 66 66 GLU C C 724 175.573 175.573 175.388 0.185 18183 1608 1 3 . 1 1 66 66 GLU CA C 724 54.557 54.557 54.778 -0.221 18183 1609 1 3 . 1 1 66 66 GLU CB C 724 32.441 32.441 32.456 -0.015 18183 1610 1 3 . 1 1 66 66 GLU H H 724 8.518 8.518 8.701 -0.183 18183 1611 1 3 . 1 1 67 67 LYS N N 725 125.857 125.857 123.741 2.116 18183 1612 1 3 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.596 -0.144 18183 1613 1 3 . 1 1 67 67 LYS C C 725 175.624 175.624 175.426 0.198 18183 1614 1 3 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.225 0.029 18183 1615 1 3 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.376 -0.335 18183 1616 1 3 . 1 1 67 67 LYS H H 725 8.671 8.671 9.182 -0.511 18183 1617 1 3 . 1 1 68 68 ASP N N 726 127.302 127.302 124.125 3.177 18183 1618 1 3 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.366 -0.175 18183 1619 1 3 . 1 1 68 68 ASP C C 726 174.291 174.291 176.163 -1.872 18183 1620 1 3 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.434 0.588 18183 1621 1 3 . 1 1 68 68 ASP CB C 726 39.391 39.391 40.146 -0.755 18183 1622 1 3 . 1 1 68 68 ASP H H 726 9.485 9.485 9.065 0.420 18183 1623 1 3 . 1 1 69 69 ASN N N 727 110.250 110.250 113.888 -3.638 18183 1624 1 3 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.378 -0.155 18183 1625 1 3 . 1 1 69 69 ASN C C 727 173.825 173.825 173.430 0.395 18183 1626 1 3 . 1 1 69 69 ASN CA C 727 54.672 54.672 55.000 -0.328 18183 1627 1 3 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.422 -1.078 18183 1628 1 3 . 1 1 69 69 ASN H H 727 8.344 8.344 8.756 -0.412 18183 1629 1 3 . 1 1 70 70 TRP N N 728 119.098 119.098 115.970 3.128 18183 1630 1 3 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.044 0.272 18183 1631 1 3 . 1 1 70 70 TRP C C 728 174.989 174.989 174.696 0.293 18183 1632 1 3 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.442 0.270 18183 1633 1 3 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.508 0.834 18183 1634 1 3 . 1 1 70 70 TRP H H 728 8.050 8.050 7.706 0.344 18183 1635 1 3 . 1 1 71 71 ILE N N 729 121.706 121.706 121.368 0.338 18183 1636 1 3 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.465 0.047 18183 1637 1 3 . 1 1 71 71 ILE C C 729 175.265 175.265 173.752 1.513 18183 1638 1 3 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.349 -0.555 18183 1639 1 3 . 1 1 71 71 ILE CB C 729 41.091 41.091 42.177 -1.086 18183 1640 1 3 . 1 1 71 71 ILE H H 729 9.298 9.298 9.585 -0.287 18183 1641 1 3 . 1 1 72 72 HIS N N 730 121.063 121.063 124.239 -3.176 18183 1642 1 3 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.172 -0.021 18183 1643 1 3 . 1 1 72 72 HIS C C 730 173.774 173.774 173.874 -0.100 18183 1644 1 3 . 1 1 72 72 HIS CA C 730 56.519 56.519 54.735 1.784 18183 1645 1 3 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.828 0.681 18183 1646 1 3 . 1 1 72 72 HIS H H 730 9.024 9.024 9.067 -0.043 18183 1647 1 3 . 1 1 73 73 ILE N N 731 112.363 112.363 115.833 -3.470 18183 1648 1 3 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.923 -0.027 18183 1649 1 3 . 1 1 73 73 ILE CA C 731 62.302 62.302 60.311 1.991 18183 1650 1 3 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.348 1.039 18183 1651 1 3 . 1 1 73 73 ILE H H 731 9.425 9.425 8.784 0.641 18183 1652 1 3 . 1 1 74 74 THR N N 732 117.292 117.292 113.718 3.574 18183 1653 1 3 . 1 1 74 74 THR HA H 732 4.679 4.679 4.180 0.499 18183 1654 1 3 . 1 1 74 74 THR C C 732 173.467 173.467 173.172 0.295 18183 1655 1 3 . 1 1 74 74 THR CA C 732 59.795 59.795 61.261 -1.466 18183 1656 1 3 . 1 1 74 74 THR CB C 732 69.896 69.896 69.781 0.115 18183 1657 1 3 . 1 1 74 74 THR H H 732 8.421 8.421 7.346 1.075 18183 1658 1 3 . 1 1 75 75 GLU N N 733 123.689 123.689 121.375 2.314 18183 1659 1 3 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.448 -1.474 18183 1660 1 3 . 1 1 75 75 GLU C C 733 175.819 175.819 175.993 -0.174 18183 1661 1 3 . 1 1 75 75 GLU CA C 733 58.898 58.898 57.354 1.544 18183 1662 1 3 . 1 1 75 75 GLU CB C 733 28.991 28.991 28.736 0.255 18183 1663 1 3 . 1 1 75 75 GLU H H 733 8.615 8.615 8.483 0.132 18183 1664 1 3 . 1 1 76 76 ALA N N 734 117.705 117.705 121.585 -3.880 18183 1665 1 3 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.285 -0.373 18183 1666 1 3 . 1 1 76 76 ALA C C 734 177.024 177.024 177.066 -0.042 18183 1667 1 3 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.833 0.429 18183 1668 1 3 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.854 -0.057 18183 1669 1 3 . 1 1 76 76 ALA H H 734 7.654 7.654 8.063 -0.409 18183 1670 1 3 . 1 1 77 77 LYS N N 735 119.239 119.239 118.200 1.039 18183 1671 1 3 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.272 -0.181 18183 1672 1 3 . 1 1 77 77 LYS C C 735 172.048 172.048 174.192 -2.144 18183 1673 1 3 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.906 -1.532 18183 1674 1 3 . 1 1 77 77 LYS CB C 735 33.343 33.343 34.646 -1.303 18183 1675 1 3 . 1 1 77 77 LYS H H 735 7.214 7.214 7.730 -0.516 18183 1676 1 3 . 1 1 78 78 LYS N N 736 123.194 123.194 124.736 -1.542 18183 1677 1 3 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.463 0.274 18183 1678 1 3 . 1 1 78 78 LYS C C 736 174.901 174.901 175.656 -0.755 18183 1679 1 3 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.644 -0.941 18183 1680 1 3 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.286 1.806 18183 1681 1 3 . 1 1 78 78 LYS H H 736 7.850 7.850 8.042 -0.192 18183 1682 1 3 . 1 1 79 79 PHE N N 737 117.645 117.645 120.483 -2.838 18183 1683 1 3 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.855 0.071 18183 1684 1 3 . 1 1 79 79 PHE C C 737 175.500 175.500 175.510 -0.010 18183 1685 1 3 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.283 -0.370 18183 1686 1 3 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.685 0.783 18183 1687 1 3 . 1 1 79 79 PHE H H 737 9.079 9.079 8.913 0.166 18183 1688 1 3 . 1 1 80 80 ASP N N 738 119.264 119.264 121.843 -2.579 18183 1689 1 3 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.628 1.089 18183 1690 1 3 . 1 1 80 80 ASP C C 738 176.014 176.014 176.401 -0.387 18183 1691 1 3 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.974 -0.329 18183 1692 1 3 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.017 0.703 18183 1693 1 3 . 1 1 80 80 ASP H H 738 9.332 9.332 8.713 0.619 18183 1694 1 3 . 1 1 81 81 SER N N 739 108.541 108.541 110.695 -2.154 18183 1695 1 3 . 1 1 81 81 SER HA H 739 4.649 4.649 4.665 -0.016 18183 1696 1 3 . 1 1 81 81 SER C C 739 173.719 173.719 174.530 -0.811 18183 1697 1 3 . 1 1 81 81 SER CA C 739 57.148 57.148 56.298 0.849 18183 1698 1 3 . 1 1 81 81 SER CB C 739 66.475 66.475 66.413 0.062 18183 1699 1 3 . 1 1 81 81 SER H H 739 7.379 7.379 7.620 -0.241 18183 1700 1 3 . 1 1 82 82 LEU N N 740 122.926 122.926 123.142 -0.216 18183 1701 1 3 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.926 -0.170 18183 1702 1 3 . 1 1 82 82 LEU C C 740 177.267 177.267 177.850 -0.583 18183 1703 1 3 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.764 0.070 18183 1704 1 3 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.684 -1.101 18183 1705 1 3 . 1 1 82 82 LEU H H 740 8.939 8.939 8.600 0.339 18183 1706 1 3 . 1 1 83 83 LEU N N 741 116.722 116.722 116.711 0.011 18183 1707 1 3 . 1 1 83 83 LEU HA H 741 3.775 3.775 4.087 -0.312 18183 1708 1 3 . 1 1 83 83 LEU C C 741 177.528 177.528 178.429 -0.901 18183 1709 1 3 . 1 1 83 83 LEU CA C 741 58.139 58.139 57.839 0.300 18183 1710 1 3 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.343 0.334 18183 1711 1 3 . 1 1 83 83 LEU H H 741 7.814 7.814 7.980 -0.166 18183 1712 1 3 . 1 1 84 84 GLU N N 742 116.747 116.747 119.779 -3.032 18183 1713 1 3 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.087 -0.220 18183 1714 1 3 . 1 1 84 84 GLU C C 742 178.282 178.282 178.940 -0.658 18183 1715 1 3 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.413 -0.274 18183 1716 1 3 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.565 0.868 18183 1717 1 3 . 1 1 84 84 GLU H H 742 7.541 7.541 7.579 -0.038 18183 1718 1 3 . 1 1 85 85 LEU N N 743 122.157 122.157 117.549 4.608 18183 1719 1 3 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.343 -0.380 18183 1720 1 3 . 1 1 85 85 LEU C C 743 177.315 177.315 178.605 -1.290 18183 1721 1 3 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.414 1.325 18183 1722 1 3 . 1 1 85 85 LEU CB C 743 41.715 41.715 40.522 1.193 18183 1723 1 3 . 1 1 85 85 LEU H H 743 7.076 7.076 7.206 -0.130 18183 1724 1 3 . 1 1 86 86 VAL N N 744 119.754 119.754 119.407 0.347 18183 1725 1 3 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.785 -0.995 18183 1726 1 3 . 1 1 86 86 VAL C C 744 177.621 177.621 178.575 -0.954 18183 1727 1 3 . 1 1 86 86 VAL CA C 744 66.844 66.844 65.505 1.339 18183 1728 1 3 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.453 0.512 18183 1729 1 3 . 1 1 86 86 VAL H H 744 8.116 8.116 7.540 0.576 18183 1730 1 3 . 1 1 87 87 GLU N N 745 116.169 116.169 119.227 -3.058 18183 1731 1 3 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.878 -0.163 18183 1732 1 3 . 1 1 87 87 GLU C C 745 179.560 179.560 179.008 0.552 18183 1733 1 3 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.151 0.171 18183 1734 1 3 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.538 -0.452 18183 1735 1 3 . 1 1 87 87 GLU H H 745 8.168 8.168 7.837 0.331 18183 1736 1 3 . 1 1 88 88 TYR N N 746 120.022 120.022 120.943 -0.921 18183 1737 1 3 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.228 -0.135 18183 1738 1 3 . 1 1 88 88 TYR C C 746 180.010 180.010 177.517 2.493 18183 1739 1 3 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.648 0.946 18183 1740 1 3 . 1 1 88 88 TYR CB C 746 38.828 38.828 39.272 -0.444 18183 1741 1 3 . 1 1 88 88 TYR H H 746 7.774 7.774 7.632 0.142 18183 1742 1 3 . 1 1 89 89 TYR N N 747 118.480 118.480 117.492 0.988 18183 1743 1 3 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.819 0.236 18183 1744 1 3 . 1 1 89 89 TYR C C 747 175.796 175.796 176.576 -0.780 18183 1745 1 3 . 1 1 89 89 TYR CA C 747 61.137 61.137 56.545 4.592 18183 1746 1 3 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.593 -0.663 18183 1747 1 3 . 1 1 89 89 TYR H H 747 7.782 7.782 7.945 -0.163 18183 1748 1 3 . 1 1 90 90 GLN N N 748 118.696 118.696 118.154 0.542 18183 1749 1 3 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.370 1.019 18183 1750 1 3 . 1 1 90 90 GLN C C 748 177.777 177.777 177.020 0.757 18183 1751 1 3 . 1 1 90 90 GLN CA C 748 57.717 57.717 57.967 -0.250 18183 1752 1 3 . 1 1 90 90 GLN CB C 748 28.520 28.520 27.660 0.860 18183 1753 1 3 . 1 1 90 90 GLN H H 748 7.838 7.838 7.725 0.113 18183 1754 1 3 . 1 1 91 91 CYS N N 749 111.118 111.118 117.563 -6.445 18183 1755 1 3 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.345 0.257 18183 1756 1 3 . 1 1 91 91 CYS C C 749 172.887 172.887 174.695 -1.808 18183 1757 1 3 . 1 1 91 91 CYS CA C 749 57.434 57.434 58.799 -1.365 18183 1758 1 3 . 1 1 91 91 CYS CB C 749 29.266 29.266 28.674 0.592 18183 1759 1 3 . 1 1 91 91 CYS H H 749 7.145 7.145 7.551 -0.406 18183 1760 1 3 . 1 1 92 92 HIS N N 750 120.227 120.227 118.928 1.299 18183 1761 1 3 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.618 -0.286 18183 1762 1 3 . 1 1 92 92 HIS C C 750 171.842 171.842 174.386 -2.544 18183 1763 1 3 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.222 0.855 18183 1764 1 3 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.957 -2.582 18183 1765 1 3 . 1 1 92 92 HIS H H 750 7.470 7.470 7.381 0.089 18183 1766 1 3 . 1 1 93 93 SER N N 751 113.120 113.120 117.999 -4.879 18183 1767 1 3 . 1 1 93 93 SER HA H 751 3.782 3.782 4.305 -0.523 18183 1768 1 3 . 1 1 93 93 SER C C 751 176.653 176.653 175.550 1.103 18183 1769 1 3 . 1 1 93 93 SER CA C 751 57.812 57.812 59.325 -1.512 18183 1770 1 3 . 1 1 93 93 SER CB C 751 62.783 62.783 63.904 -1.121 18183 1771 1 3 . 1 1 93 93 SER H H 751 8.404 8.404 8.853 -0.449 18183 1772 1 3 . 1 1 94 94 LEU N N 752 127.293 127.293 123.465 3.828 18183 1773 1 3 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.505 -0.436 18183 1774 1 3 . 1 1 94 94 LEU C C 752 177.524 177.524 177.525 -0.001 18183 1775 1 3 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.276 2.120 18183 1776 1 3 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.113 1.374 18183 1777 1 3 . 1 1 94 94 LEU H H 752 8.553 8.553 8.392 0.161 18183 1778 1 3 . 1 1 95 95 LYS N N 753 122.249 122.249 119.652 2.597 18183 1779 1 3 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.478 -0.150 18183 1780 1 3 . 1 1 95 95 LYS C C 753 176.426 176.426 178.521 -2.095 18183 1781 1 3 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.653 -1.099 18183 1782 1 3 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.570 0.604 18183 1783 1 3 . 1 1 95 95 LYS H H 753 8.303 8.303 8.344 -0.041 18183 1784 1 3 . 1 1 96 96 GLU N N 754 115.401 115.401 119.761 -4.360 18183 1785 1 3 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.109 -0.024 18183 1786 1 3 . 1 1 96 96 GLU C C 754 176.838 176.838 178.176 -1.338 18183 1787 1 3 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.921 -0.824 18183 1788 1 3 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.423 0.077 18183 1789 1 3 . 1 1 96 96 GLU H H 754 7.188 7.188 8.077 -0.889 18183 1790 1 3 . 1 1 97 97 SER N N 755 113.852 113.852 113.440 0.412 18183 1791 1 3 . 1 1 97 97 SER HA H 755 4.402 4.402 4.254 0.148 18183 1792 1 3 . 1 1 97 97 SER C C 755 172.067 172.067 174.006 -1.939 18183 1793 1 3 . 1 1 97 97 SER CA C 755 59.448 59.448 60.487 -1.039 18183 1794 1 3 . 1 1 97 97 SER CB C 755 65.680 65.680 64.607 1.073 18183 1795 1 3 . 1 1 97 97 SER H H 755 7.838 7.838 7.652 0.186 18183 1796 1 3 . 1 1 98 98 PHE N N 756 121.742 121.742 121.119 0.623 18183 1797 1 3 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.788 -0.218 18183 1798 1 3 . 1 1 98 98 PHE C C 756 174.941 174.941 176.062 -1.121 18183 1799 1 3 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.808 -0.060 18183 1800 1 3 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.422 0.859 18183 1801 1 3 . 1 1 98 98 PHE H H 756 8.223 8.223 8.745 -0.522 18183 1802 1 3 . 1 1 99 99 LYS N N 757 122.713 122.713 125.127 -2.414 18183 1803 1 3 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.185 -0.114 18183 1804 1 3 . 1 1 99 99 LYS C C 757 176.793 176.793 177.198 -0.405 18183 1805 1 3 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.225 -0.068 18183 1806 1 3 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.222 0.111 18183 1807 1 3 . 1 1 99 99 LYS H H 757 8.388 8.388 8.740 -0.352 18183 1808 1 3 . 1 1 100 100 GLN N N 758 114.972 114.972 117.861 -2.889 18183 1809 1 3 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.412 -0.251 18183 1810 1 3 . 1 1 100 100 GLN C C 758 175.591 175.591 175.056 0.535 18183 1811 1 3 . 1 1 100 100 GLN CA C 758 56.469 56.469 55.710 0.759 18183 1812 1 3 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.341 -0.354 18183 1813 1 3 . 1 1 100 100 GLN H H 758 8.662 8.662 8.237 0.425 18183 1814 1 3 . 1 1 101 101 LEU N N 759 124.472 124.472 121.640 2.832 18183 1815 1 3 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.629 -0.950 18183 1816 1 3 . 1 1 101 101 LEU C C 759 173.228 173.228 174.102 -0.874 18183 1817 1 3 . 1 1 101 101 LEU CA C 759 52.325 52.325 55.050 -2.725 18183 1818 1 3 . 1 1 101 101 LEU CB C 759 41.512 41.512 44.664 -3.152 18183 1819 1 3 . 1 1 101 101 LEU H H 759 7.884 7.884 7.870 0.014 18183 1820 1 3 . 1 1 102 102 ASP N N 760 119.321 119.321 124.359 -5.038 18183 1821 1 3 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.865 -0.380 18183 1822 1 3 . 1 1 102 102 ASP C C 760 173.467 173.467 174.303 -0.836 18183 1823 1 3 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.862 -1.737 18183 1824 1 3 . 1 1 102 102 ASP CB C 760 39.028 39.028 42.240 -3.212 18183 1825 1 3 . 1 1 102 102 ASP H H 760 6.594 6.594 8.664 -2.070 18183 1826 1 3 . 1 1 103 103 THR N N 761 117.213 117.213 114.794 2.419 18183 1827 1 3 . 1 1 103 103 THR HA H 761 4.643 4.643 4.043 0.600 18183 1828 1 3 . 1 1 103 103 THR C C 761 172.158 172.158 172.363 -0.205 18183 1829 1 3 . 1 1 103 103 THR CA C 761 60.197 60.197 60.106 0.091 18183 1830 1 3 . 1 1 103 103 THR CB C 761 69.046 69.046 69.455 -0.409 18183 1831 1 3 . 1 1 103 103 THR H H 761 7.637 7.637 7.590 0.047 18183 1832 1 3 . 1 1 104 104 THR N N 762 114.193 114.193 115.121 -0.928 18183 1833 1 3 . 1 1 104 104 THR HA H 762 4.569 4.569 4.274 0.295 18183 1834 1 3 . 1 1 104 104 THR C C 762 175.698 175.698 173.653 2.045 18183 1835 1 3 . 1 1 104 104 THR CA C 762 60.808 60.808 59.714 1.094 18183 1836 1 3 . 1 1 104 104 THR CB C 762 70.636 70.636 71.911 -1.275 18183 1837 1 3 . 1 1 104 104 THR H H 762 7.284 7.284 7.837 -0.553 18183 1838 1 3 . 1 1 105 105 LEU N N 763 117.473 117.473 122.383 -4.910 18183 1839 1 3 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.619 -0.156 18183 1840 1 3 . 1 1 105 105 LEU C C 763 174.348 174.348 176.456 -2.108 18183 1841 1 3 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.123 -1.141 18183 1842 1 3 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.328 -3.644 18183 1843 1 3 . 1 1 105 105 LEU H H 763 8.093 8.093 7.955 0.138 18183 1844 1 3 . 1 1 106 106 LYS N N 764 127.491 127.491 124.291 3.200 18183 1845 1 3 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.170 -0.212 18183 1846 1 3 . 1 1 106 106 LYS C C 764 176.734 176.734 176.793 -0.059 18183 1847 1 3 . 1 1 106 106 LYS CA C 764 59.696 59.696 56.919 2.777 18183 1848 1 3 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.567 1.600 18183 1849 1 3 . 1 1 106 106 LYS H H 764 7.118 7.118 7.917 -0.799 18183 1850 1 3 . 1 1 107 107 TYR N N 765 115.804 115.804 118.503 -2.699 18183 1851 1 3 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.894 0.570 18183 1852 1 3 . 1 1 107 107 TYR C C 765 172.048 172.048 173.012 -0.964 18183 1853 1 3 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.181 -2.662 18183 1854 1 3 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.028 2.348 18183 1855 1 3 . 1 1 107 107 TYR H H 765 7.848 7.848 8.142 -0.294 18183 1856 1 3 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.104 -0.478 18183 1857 1 3 . 1 1 108 108 PRO C C 766 180.469 180.469 176.288 4.181 18183 1858 1 3 . 1 1 109 109 TYR N N 767 122.791 122.791 114.584 8.207 18183 1859 1 3 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.394 -0.610 18183 1860 1 3 . 1 1 109 109 TYR C C 767 174.575 174.575 176.115 -1.540 18183 1861 1 3 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.447 3.539 18183 1862 1 3 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.761 -0.136 18183 1863 1 3 . 1 1 109 109 TYR H H 767 8.306 8.306 8.610 -0.304 18183 1864 1 3 . 1 1 110 110 LYS N N 768 118.817 118.817 120.829 -2.012 18183 1865 1 3 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.099 -0.196 18183 1866 1 3 . 1 1 110 110 LYS C C 768 176.259 176.259 176.696 -0.437 18183 1867 1 3 . 1 1 110 110 LYS CA C 768 56.595 56.595 57.627 -1.032 18183 1868 1 3 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.665 -0.060 18183 1869 1 3 . 1 1 110 110 LYS H H 768 6.785 6.785 7.989 -1.204 18183 1870 1 3 . 1 1 111 111 SER N N 769 114.539 114.539 111.442 3.097 18183 1871 1 3 . 1 1 111 111 SER HA H 769 4.317 4.317 4.506 -0.189 18183 1872 1 3 . 1 1 111 111 SER C C 769 174.092 174.092 173.368 0.724 18183 1873 1 3 . 1 1 111 111 SER CA C 769 58.647 58.647 58.706 -0.059 18183 1874 1 3 . 1 1 111 111 SER CB C 769 63.883 63.883 63.306 0.577 18183 1875 1 3 . 1 1 111 111 SER H H 769 7.765 7.765 7.908 -0.143 18183 1876 1 3 . 1 1 112 112 ARG N N 770 122.458 122.458 120.959 1.499 18183 1877 1 3 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.616 -0.294 18183 1878 1 3 . 1 1 112 112 ARG C C 770 175.130 175.130 175.353 -0.223 18183 1879 1 3 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.829 -0.165 18183 1880 1 3 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.216 -0.336 18183 1881 1 3 . 1 1 112 112 ARG H H 770 8.082 8.082 8.314 -0.232 18183 1882 1 4 . 1 1 2 2 ARG N N 660 123.546 123.546 123.381 0.165 18183 1883 1 4 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.644 -0.068 18183 1884 1 4 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.938 -1.088 18183 1885 1 4 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.196 0.151 18183 1886 1 4 . 1 1 2 2 ARG H H 660 8.258 8.258 8.258 -0.000 18183 1887 1 4 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.574 -0.218 18183 1888 1 4 . 1 1 4 4 PRO C C 662 177.047 177.047 177.184 -0.137 18183 1889 1 4 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.521 0.700 18183 1890 1 4 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.673 -0.698 18183 1891 1 4 . 1 1 5 5 SER N N 663 116.108 116.108 117.201 -1.093 18183 1892 1 4 . 1 1 5 5 SER HA H 663 4.335 4.335 4.521 -0.186 18183 1893 1 4 . 1 1 5 5 SER C C 663 174.708 174.708 175.406 -0.698 18183 1894 1 4 . 1 1 5 5 SER CA C 663 58.639 58.639 59.816 -1.177 18183 1895 1 4 . 1 1 5 5 SER CB C 663 63.849 63.849 63.488 0.361 18183 1896 1 4 . 1 1 5 5 SER H H 663 8.385 8.385 8.561 -0.176 18183 1897 1 4 . 1 1 6 6 ARG N N 664 122.132 122.132 120.616 1.516 18183 1898 1 4 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.244 0.075 18183 1899 1 4 . 1 1 6 6 ARG C C 664 175.951 175.951 175.731 0.220 18183 1900 1 4 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.798 -0.867 18183 1901 1 4 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.800 0.032 18183 1902 1 4 . 1 1 6 6 ARG H H 664 8.347 8.347 8.104 0.243 18183 1903 1 4 . 1 1 7 7 GLU N N 665 122.268 122.268 118.602 3.666 18183 1904 1 4 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.429 -0.167 18183 1905 1 4 . 1 1 7 7 GLU C C 665 175.809 175.809 174.862 0.947 18183 1906 1 4 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.587 0.583 18183 1907 1 4 . 1 1 7 7 GLU CB C 665 29.908 29.908 31.142 -1.234 18183 1908 1 4 . 1 1 7 7 GLU H H 665 8.336 8.336 7.917 0.419 18183 1909 1 4 . 1 1 8 8 ILE N N 666 123.984 123.984 123.094 0.890 18183 1910 1 4 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.093 -0.313 18183 1911 1 4 . 1 1 8 8 ILE C C 666 174.325 174.325 175.737 -1.412 18183 1912 1 4 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.355 0.454 18183 1913 1 4 . 1 1 8 8 ILE CB C 666 39.233 39.233 39.038 0.195 18183 1914 1 4 . 1 1 8 8 ILE H H 666 7.920 7.920 8.024 -0.104 18183 1915 1 4 . 1 1 9 9 ASP N N 667 124.228 124.228 124.958 -0.730 18183 1916 1 4 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.466 0.102 18183 1917 1 4 . 1 1 9 9 ASP C C 667 177.001 177.001 175.815 1.186 18183 1918 1 4 . 1 1 9 9 ASP CA C 667 51.991 51.991 52.259 -0.268 18183 1919 1 4 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.739 0.571 18183 1920 1 4 . 1 1 9 9 ASP H H 667 8.072 8.072 8.422 -0.350 18183 1921 1 4 . 1 1 10 10 TYR N N 668 125.329 125.329 120.837 4.492 18183 1922 1 4 . 1 1 10 10 TYR HA H 668 4.128 4.128 3.779 0.349 18183 1923 1 4 . 1 1 10 10 TYR C C 668 175.901 175.901 176.843 -0.942 18183 1924 1 4 . 1 1 10 10 TYR CA C 668 60.557 60.557 58.592 1.965 18183 1925 1 4 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.331 -1.165 18183 1926 1 4 . 1 1 10 10 TYR H H 668 8.493 8.493 7.239 1.254 18183 1927 1 4 . 1 1 11 11 THR N N 669 108.533 108.533 110.633 -2.100 18183 1928 1 4 . 1 1 11 11 THR HA H 669 4.082 4.082 4.184 -0.102 18183 1929 1 4 . 1 1 11 11 THR C C 669 175.170 175.170 175.286 -0.116 18183 1930 1 4 . 1 1 11 11 THR CA C 669 64.701 64.701 64.775 -0.075 18183 1931 1 4 . 1 1 11 11 THR CB C 669 68.924 68.924 68.145 0.779 18183 1932 1 4 . 1 1 11 11 THR H H 669 7.948 7.948 7.709 0.239 18183 1933 1 4 . 1 1 12 12 ALA N N 670 121.252 121.252 122.919 -1.667 18183 1934 1 4 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.186 -0.163 18183 1935 1 4 . 1 1 12 12 ALA C C 670 177.747 177.747 177.880 -0.133 18183 1936 1 4 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.218 -0.719 18183 1937 1 4 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.913 0.314 18183 1938 1 4 . 1 1 12 12 ALA H H 670 7.366 7.366 7.383 -0.017 18183 1939 1 4 . 1 1 13 13 TYR N N 671 117.895 117.895 117.690 0.205 18183 1940 1 4 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.703 -0.451 18183 1941 1 4 . 1 1 13 13 TYR C C 671 176.545 176.545 176.068 0.477 18183 1942 1 4 . 1 1 13 13 TYR CA C 671 56.472 56.472 54.583 1.889 18183 1943 1 4 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.388 -0.829 18183 1944 1 4 . 1 1 13 13 TYR H H 671 7.490 7.490 7.121 0.369 18183 1945 1 4 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.420 -0.120 18183 1946 1 4 . 1 1 14 14 PRO C C 672 173.638 173.638 177.206 -3.568 18183 1947 1 4 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.305 -0.554 18183 1948 1 4 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.205 -0.961 18183 1949 1 4 . 1 1 15 15 TRP N N 673 109.940 109.940 117.604 -7.664 18183 1950 1 4 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.812 -0.106 18183 1951 1 4 . 1 1 15 15 TRP C C 673 175.471 175.471 176.676 -1.205 18183 1952 1 4 . 1 1 15 15 TRP CA C 673 52.850 52.850 59.056 -6.206 18183 1953 1 4 . 1 1 15 15 TRP CB C 673 32.436 32.436 29.175 3.261 18183 1954 1 4 . 1 1 15 15 TRP H H 673 6.184 6.184 8.374 -2.190 18183 1955 1 4 . 1 1 16 16 PHE N N 674 123.228 123.228 118.237 4.991 18183 1956 1 4 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.809 0.292 18183 1957 1 4 . 1 1 16 16 PHE C C 674 174.684 174.684 175.798 -1.114 18183 1958 1 4 . 1 1 16 16 PHE CA C 674 59.566 59.566 58.889 0.677 18183 1959 1 4 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.834 -0.866 18183 1960 1 4 . 1 1 16 16 PHE H H 674 7.585 7.585 7.991 -0.406 18183 1961 1 4 . 1 1 17 17 ALA N N 675 130.573 130.573 126.655 3.918 18183 1962 1 4 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.913 -0.071 18183 1963 1 4 . 1 1 17 17 ALA C C 675 177.161 177.161 176.999 0.162 18183 1964 1 4 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.426 -0.258 18183 1965 1 4 . 1 1 17 17 ALA CB C 675 21.968 21.968 20.757 1.211 18183 1966 1 4 . 1 1 17 17 ALA H H 675 9.004 9.004 7.980 1.024 18183 1967 1 4 . 1 1 18 18 GLY C C 676 174.000 174.000 173.297 0.703 18183 1968 1 4 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.514 1.976 18183 1969 1 4 . 1 1 19 19 ASN N N 677 124.182 124.182 120.910 3.272 18183 1970 1 4 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.827 0.179 18183 1971 1 4 . 1 1 19 19 ASN C C 677 174.916 174.916 174.841 0.075 18183 1972 1 4 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.043 -0.438 18183 1973 1 4 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.532 -0.467 18183 1974 1 4 . 1 1 19 19 ASN H H 677 8.657 8.657 8.529 0.128 18183 1975 1 4 . 1 1 20 20 MET N N 678 122.806 122.806 122.356 0.450 18183 1976 1 4 . 1 1 20 20 MET HA H 678 4.173 4.173 4.528 -0.355 18183 1977 1 4 . 1 1 20 20 MET C C 678 175.317 175.317 175.616 -0.299 18183 1978 1 4 . 1 1 20 20 MET CA C 678 56.274 56.274 54.873 1.401 18183 1979 1 4 . 1 1 20 20 MET CB C 678 35.581 35.581 34.733 0.848 18183 1980 1 4 . 1 1 20 20 MET H H 678 7.158 7.158 7.722 -0.564 18183 1981 1 4 . 1 1 21 21 GLU N N 679 124.655 124.655 122.849 1.806 18183 1982 1 4 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.162 0.039 18183 1983 1 4 . 1 1 21 21 GLU C C 679 178.105 178.105 177.455 0.650 18183 1984 1 4 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.696 -0.680 18183 1985 1 4 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.725 0.165 18183 1986 1 4 . 1 1 21 21 GLU H H 679 8.687 8.687 8.755 -0.068 18183 1987 1 4 . 1 1 22 22 ARG N N 680 125.764 125.764 123.325 2.439 18183 1988 1 4 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.837 -0.557 18183 1989 1 4 . 1 1 22 22 ARG C C 680 177.559 177.559 178.695 -1.136 18183 1990 1 4 . 1 1 22 22 ARG CA C 680 61.054 61.054 59.536 1.518 18183 1991 1 4 . 1 1 22 22 ARG CB C 680 29.868 29.868 29.869 -0.001 18183 1992 1 4 . 1 1 22 22 ARG H H 680 9.191 9.191 8.753 0.438 18183 1993 1 4 . 1 1 23 23 GLN N N 681 118.109 118.109 117.914 0.195 18183 1994 1 4 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.033 -0.040 18183 1995 1 4 . 1 1 23 23 GLN C C 681 178.252 178.252 178.370 -0.118 18183 1996 1 4 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.583 0.016 18183 1997 1 4 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.832 -0.067 18183 1998 1 4 . 1 1 23 23 GLN H H 681 9.085 9.085 8.647 0.438 18183 1999 1 4 . 1 1 24 24 GLN N N 682 118.128 118.128 117.938 0.190 18183 2000 1 4 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.017 0.034 18183 2001 1 4 . 1 1 24 24 GLN C C 682 178.328 178.328 178.720 -0.392 18183 2002 1 4 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.219 -0.454 18183 2003 1 4 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.463 -0.231 18183 2004 1 4 . 1 1 24 24 GLN H H 682 7.287 7.287 7.833 -0.546 18183 2005 1 4 . 1 1 25 25 THR N N 683 116.436 116.436 116.456 -0.020 18183 2006 1 4 . 1 1 25 25 THR HA H 683 3.641 3.641 3.869 -0.229 18183 2007 1 4 . 1 1 25 25 THR CA C 683 67.504 67.504 67.614 -0.110 18183 2008 1 4 . 1 1 25 25 THR CB C 683 67.667 67.667 68.436 -0.769 18183 2009 1 4 . 1 1 25 25 THR H H 683 7.813 7.813 7.894 -0.081 18183 2010 1 4 . 1 1 26 26 ASP N N 684 123.084 123.084 121.126 1.958 18183 2011 1 4 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.517 -0.289 18183 2012 1 4 . 1 1 26 26 ASP C C 684 178.426 178.426 177.414 1.012 18183 2013 1 4 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.011 1.009 18183 2014 1 4 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.035 -1.209 18183 2015 1 4 . 1 1 26 26 ASP H H 684 8.384 8.384 7.934 0.450 18183 2016 1 4 . 1 1 27 27 ASN N N 685 116.068 116.068 116.790 -0.722 18183 2017 1 4 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.583 -0.264 18183 2018 1 4 . 1 1 27 27 ASN C C 685 177.207 177.207 177.325 -0.118 18183 2019 1 4 . 1 1 27 27 ASN CA C 685 55.747 55.747 54.882 0.865 18183 2020 1 4 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.645 -0.448 18183 2021 1 4 . 1 1 27 27 ASN H H 685 7.667 7.667 8.146 -0.479 18183 2022 1 4 . 1 1 28 28 LEU N N 686 120.906 120.906 120.267 0.639 18183 2023 1 4 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.177 -0.008 18183 2024 1 4 . 1 1 28 28 LEU C C 686 179.394 179.394 177.757 1.637 18183 2025 1 4 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.337 0.484 18183 2026 1 4 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.963 0.729 18183 2027 1 4 . 1 1 28 28 LEU H H 686 7.993 7.993 7.817 0.176 18183 2028 1 4 . 1 1 29 29 LEU N N 687 114.941 114.941 112.806 2.135 18183 2029 1 4 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.658 -0.607 18183 2030 1 4 . 1 1 29 29 LEU C C 687 178.742 178.742 176.525 2.217 18183 2031 1 4 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.022 2.415 18183 2032 1 4 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.864 1.978 18183 2033 1 4 . 1 1 29 29 LEU H H 687 8.166 8.166 7.444 0.722 18183 2034 1 4 . 1 1 30 30 LYS N N 688 118.446 118.446 118.163 0.283 18183 2035 1 4 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.140 -0.427 18183 2036 1 4 . 1 1 30 30 LYS C C 688 177.260 177.260 177.749 -0.489 18183 2037 1 4 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.328 2.150 18183 2038 1 4 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.637 -0.553 18183 2039 1 4 . 1 1 30 30 LYS H H 688 7.635 7.635 7.448 0.187 18183 2040 1 4 . 1 1 31 31 SER N N 689 111.039 111.039 112.408 -1.369 18183 2041 1 4 . 1 1 31 31 SER HA H 689 4.417 4.417 4.409 0.008 18183 2042 1 4 . 1 1 31 31 SER C C 689 174.495 174.495 174.884 -0.389 18183 2043 1 4 . 1 1 31 31 SER CA C 689 58.387 58.387 57.928 0.459 18183 2044 1 4 . 1 1 31 31 SER CB C 689 63.281 63.281 64.092 -0.811 18183 2045 1 4 . 1 1 31 31 SER H H 689 7.709 7.709 7.987 -0.278 18183 2046 1 4 . 1 1 32 32 HIS N N 690 120.253 120.253 122.514 -2.261 18183 2047 1 4 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.515 0.061 18183 2048 1 4 . 1 1 32 32 HIS C C 690 173.913 173.913 174.980 -1.067 18183 2049 1 4 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.474 -1.397 18183 2050 1 4 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.871 0.982 18183 2051 1 4 . 1 1 32 32 HIS H H 690 7.647 7.647 7.870 -0.223 18183 2052 1 4 . 1 1 33 33 ALA N N 691 120.403 120.403 123.962 -3.559 18183 2053 1 4 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.487 -0.209 18183 2054 1 4 . 1 1 33 33 ALA C C 691 179.503 179.503 177.296 2.207 18183 2055 1 4 . 1 1 33 33 ALA CA C 691 51.718 51.718 52.022 -0.304 18183 2056 1 4 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.077 0.192 18183 2057 1 4 . 1 1 33 33 ALA H H 691 8.452 8.452 8.767 -0.315 18183 2058 1 4 . 1 1 34 34 SER N N 692 117.464 117.464 116.253 1.211 18183 2059 1 4 . 1 1 34 34 SER HA H 692 4.047 4.047 4.426 -0.379 18183 2060 1 4 . 1 1 34 34 SER C C 692 175.307 175.307 174.414 0.893 18183 2061 1 4 . 1 1 34 34 SER CA C 692 60.434 60.434 59.692 0.742 18183 2062 1 4 . 1 1 34 34 SER CB C 692 63.132 63.132 61.917 1.214 18183 2063 1 4 . 1 1 34 34 SER H H 692 9.002 9.002 8.812 0.190 18183 2064 1 4 . 1 1 35 35 GLY N N 693 113.364 113.364 109.767 3.597 18183 2065 1 4 . 1 1 35 35 GLY C C 693 174.739 174.739 172.428 2.311 18183 2066 1 4 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.861 -1.011 18183 2067 1 4 . 1 1 35 35 GLY H H 693 9.873 9.873 8.290 1.583 18183 2068 1 4 . 1 1 36 36 THR N N 694 120.932 120.932 119.213 1.719 18183 2069 1 4 . 1 1 36 36 THR HA H 694 5.923 5.923 5.296 0.627 18183 2070 1 4 . 1 1 36 36 THR C C 694 173.253 173.253 173.370 -0.117 18183 2071 1 4 . 1 1 36 36 THR CA C 694 63.429 63.429 61.302 2.127 18183 2072 1 4 . 1 1 36 36 THR CB C 694 68.091 68.091 70.123 -2.032 18183 2073 1 4 . 1 1 36 36 THR H H 694 8.240 8.240 7.506 0.734 18183 2074 1 4 . 1 1 37 37 TYR N N 695 123.567 123.567 125.321 -1.754 18183 2075 1 4 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.391 0.585 18183 2076 1 4 . 1 1 37 37 TYR C C 695 171.737 171.737 173.198 -1.461 18183 2077 1 4 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.688 0.548 18183 2078 1 4 . 1 1 37 37 TYR CB C 695 44.289 44.289 40.766 3.523 18183 2079 1 4 . 1 1 37 37 TYR H H 695 8.765 8.765 8.576 0.189 18183 2080 1 4 . 1 1 38 38 LEU N N 696 115.294 115.294 116.278 -0.984 18183 2081 1 4 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.292 -0.189 18183 2082 1 4 . 1 1 38 38 LEU C C 696 174.368 174.368 174.698 -0.330 18183 2083 1 4 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.564 -0.732 18183 2084 1 4 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.718 -0.424 18183 2085 1 4 . 1 1 38 38 LEU H H 696 9.008 9.008 8.943 0.065 18183 2086 1 4 . 1 1 39 39 ILE N N 697 122.087 122.087 119.528 2.559 18183 2087 1 4 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.823 0.470 18183 2088 1 4 . 1 1 39 39 ILE C C 697 173.625 173.625 174.355 -0.730 18183 2089 1 4 . 1 1 39 39 ILE CA C 697 59.806 59.806 59.222 0.584 18183 2090 1 4 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.079 -1.313 18183 2091 1 4 . 1 1 39 39 ILE H H 697 9.276 9.276 8.994 0.282 18183 2092 1 4 . 1 1 40 40 ARG N N 698 123.307 123.307 124.636 -1.329 18183 2093 1 4 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.664 0.480 18183 2094 1 4 . 1 1 40 40 ARG C C 698 173.789 173.789 174.154 -0.365 18183 2095 1 4 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.513 -1.342 18183 2096 1 4 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.961 -0.535 18183 2097 1 4 . 1 1 40 40 ARG H H 698 9.032 9.032 8.172 0.860 18183 2098 1 4 . 1 1 41 41 GLU N N 699 122.502 122.502 120.712 1.790 18183 2099 1 4 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.699 0.292 18183 2100 1 4 . 1 1 41 41 GLU C C 699 175.788 175.788 175.182 0.606 18183 2101 1 4 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.200 -0.361 18183 2102 1 4 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.112 -0.189 18183 2103 1 4 . 1 1 41 41 GLU H H 699 8.453 8.453 7.924 0.529 18183 2104 1 4 . 1 1 42 42 ARG N N 700 125.039 125.039 124.503 0.536 18183 2105 1 4 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.847 -0.193 18183 2106 1 4 . 1 1 42 42 ARG H H 700 8.844 8.844 7.843 1.001 18183 2107 1 4 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.275 -0.060 18183 2108 1 4 . 1 1 43 43 PRO C C 701 176.485 176.485 176.218 0.267 18183 2109 1 4 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.508 0.522 18183 2110 1 4 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.871 -0.421 18183 2111 1 4 . 1 1 44 44 ALA N N 702 120.718 120.718 127.588 -6.870 18183 2112 1 4 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.478 -0.235 18183 2113 1 4 . 1 1 44 44 ALA C C 702 176.924 176.924 177.318 -0.394 18183 2114 1 4 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.713 0.355 18183 2115 1 4 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.692 -1.265 18183 2116 1 4 . 1 1 44 44 ALA H H 702 8.217 8.217 8.081 0.136 18183 2117 1 4 . 1 1 45 45 GLU N N 703 118.107 118.107 119.315 -1.208 18183 2118 1 4 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.167 0.138 18183 2119 1 4 . 1 1 45 45 GLU C C 703 176.308 176.308 177.085 -0.777 18183 2120 1 4 . 1 1 45 45 GLU H H 703 7.638 7.638 8.662 -1.024 18183 2121 1 4 . 1 1 46 46 ALA N N 704 122.161 122.161 122.529 -0.368 18183 2122 1 4 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.391 -0.256 18183 2123 1 4 . 1 1 46 46 ALA C C 704 178.439 178.439 177.048 1.391 18183 2124 1 4 . 1 1 46 46 ALA H H 704 8.596 8.596 7.632 0.964 18183 2125 1 4 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.342 0.304 18183 2126 1 4 . 1 1 47 47 GLU C C 705 175.340 175.340 175.691 -0.351 18183 2127 1 4 . 1 1 47 47 GLU H H 705 7.642 7.642 8.274 -0.632 18183 2128 1 4 . 1 1 48 48 ARG N N 706 122.871 122.871 122.809 0.062 18183 2129 1 4 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.461 0.179 18183 2130 1 4 . 1 1 48 48 ARG C C 706 175.645 175.645 175.243 0.402 18183 2131 1 4 . 1 1 48 48 ARG H H 706 8.163 8.163 8.627 -0.464 18183 2132 1 4 . 1 1 49 49 PHE N N 707 113.719 113.719 116.592 -2.873 18183 2133 1 4 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.831 0.953 18183 2134 1 4 . 1 1 49 49 PHE C C 707 174.536 174.536 174.092 0.444 18183 2135 1 4 . 1 1 49 49 PHE H H 707 8.370 8.370 7.894 0.476 18183 2136 1 4 . 1 1 50 50 ALA N N 708 119.650 119.650 121.815 -2.165 18183 2137 1 4 . 1 1 50 50 ALA HA H 708 5.120 5.120 4.948 0.172 18183 2138 1 4 . 1 1 50 50 ALA C C 708 175.964 175.964 175.362 0.602 18183 2139 1 4 . 1 1 50 50 ALA CA C 708 51.013 51.013 51.050 -0.037 18183 2140 1 4 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.777 -0.897 18183 2141 1 4 . 1 1 50 50 ALA H H 708 8.868 8.868 8.537 0.331 18183 2142 1 4 . 1 1 51 51 ILE N N 709 121.077 121.077 120.407 0.670 18183 2143 1 4 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.674 -0.027 18183 2144 1 4 . 1 1 51 51 ILE C C 709 175.049 175.049 174.900 0.149 18183 2145 1 4 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.792 -0.293 18183 2146 1 4 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.544 -0.548 18183 2147 1 4 . 1 1 51 51 ILE H H 709 9.130 9.130 8.949 0.181 18183 2148 1 4 . 1 1 52 52 SER N N 710 125.122 125.122 122.663 2.459 18183 2149 1 4 . 1 1 52 52 SER HA H 710 5.454 5.454 5.122 0.332 18183 2150 1 4 . 1 1 52 52 SER C C 710 172.024 172.024 173.059 -1.035 18183 2151 1 4 . 1 1 52 52 SER CA C 710 57.614 57.614 57.129 0.485 18183 2152 1 4 . 1 1 52 52 SER CB C 710 64.989 64.989 65.347 -0.358 18183 2153 1 4 . 1 1 52 52 SER H H 710 9.204 9.204 8.705 0.499 18183 2154 1 4 . 1 1 53 53 ILE N N 711 121.512 121.512 121.383 0.129 18183 2155 1 4 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.760 0.379 18183 2156 1 4 . 1 1 53 53 ILE C C 711 173.093 173.093 173.733 -0.640 18183 2157 1 4 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.100 -1.467 18183 2158 1 4 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.383 -0.559 18183 2159 1 4 . 1 1 53 53 ILE H H 711 8.825 8.825 8.492 0.333 18183 2160 1 4 . 1 1 54 54 LYS N N 712 128.814 128.814 125.735 3.079 18183 2161 1 4 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.074 -0.319 18183 2162 1 4 . 1 1 54 54 LYS C C 712 174.850 174.850 175.119 -0.269 18183 2163 1 4 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.583 -0.338 18183 2164 1 4 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.936 -0.602 18183 2165 1 4 . 1 1 54 54 LYS H H 712 8.863 8.863 8.623 0.240 18183 2166 1 4 . 1 1 55 55 PHE N N 713 130.119 130.119 124.965 5.154 18183 2167 1 4 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.658 0.210 18183 2168 1 4 . 1 1 55 55 PHE C C 713 174.223 174.223 174.241 -0.018 18183 2169 1 4 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.272 0.877 18183 2170 1 4 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.387 -1.785 18183 2171 1 4 . 1 1 55 55 PHE H H 713 9.373 9.373 8.511 0.862 18183 2172 1 4 . 1 1 56 56 ASN N N 714 125.766 125.766 123.704 2.062 18183 2173 1 4 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.089 -0.191 18183 2174 1 4 . 1 1 56 56 ASN C C 714 173.945 173.945 174.067 -0.122 18183 2175 1 4 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.109 0.897 18183 2176 1 4 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.522 -1.560 18183 2177 1 4 . 1 1 56 56 ASN H H 714 8.364 8.364 8.227 0.137 18183 2178 1 4 . 1 1 57 57 ASP N N 715 117.708 117.708 112.969 4.739 18183 2179 1 4 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.204 0.347 18183 2180 1 4 . 1 1 57 57 ASP C C 715 174.766 174.766 174.800 -0.034 18183 2181 1 4 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.858 -0.813 18183 2182 1 4 . 1 1 57 57 ASP CB C 715 40.577 40.577 39.683 0.894 18183 2183 1 4 . 1 1 57 57 ASP H H 715 8.536 8.536 8.200 0.336 18183 2184 1 4 . 1 1 58 58 GLU N N 716 118.715 118.715 116.669 2.046 18183 2185 1 4 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.601 0.063 18183 2186 1 4 . 1 1 58 58 GLU C C 716 173.786 173.786 174.375 -0.589 18183 2187 1 4 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.168 -0.226 18183 2188 1 4 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.390 -0.227 18183 2189 1 4 . 1 1 58 58 GLU H H 716 7.873 7.873 7.885 -0.012 18183 2190 1 4 . 1 1 59 59 VAL N N 717 120.798 120.798 120.090 0.708 18183 2191 1 4 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.431 -0.058 18183 2192 1 4 . 1 1 59 59 VAL C C 717 175.325 175.325 175.288 0.037 18183 2193 1 4 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.323 0.616 18183 2194 1 4 . 1 1 59 59 VAL CB C 717 32.017 32.017 32.082 -0.065 18183 2195 1 4 . 1 1 59 59 VAL H H 717 8.473 8.473 8.438 0.035 18183 2196 1 4 . 1 1 60 60 LYS N N 718 127.136 127.136 127.259 -0.123 18183 2197 1 4 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.549 -0.118 18183 2198 1 4 . 1 1 60 60 LYS C C 718 174.439 174.439 174.530 -0.091 18183 2199 1 4 . 1 1 60 60 LYS CA C 718 52.809 52.809 53.796 -0.987 18183 2200 1 4 . 1 1 60 60 LYS CB C 718 33.105 33.105 35.370 -2.265 18183 2201 1 4 . 1 1 60 60 LYS H H 718 8.903 8.903 8.716 0.187 18183 2202 1 4 . 1 1 61 61 HIS N N 719 119.956 119.956 120.053 -0.097 18183 2203 1 4 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.708 0.515 18183 2204 1 4 . 1 1 61 61 HIS C C 719 175.173 175.173 174.203 0.970 18183 2205 1 4 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.265 -0.105 18183 2206 1 4 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.703 2.179 18183 2207 1 4 . 1 1 61 61 HIS H H 719 8.422 8.422 8.391 0.031 18183 2208 1 4 . 1 1 62 62 ILE N N 720 126.629 126.629 124.511 2.118 18183 2209 1 4 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.376 -0.240 18183 2210 1 4 . 1 1 62 62 ILE C C 720 175.372 175.372 175.014 0.358 18183 2211 1 4 . 1 1 62 62 ILE CA C 720 59.976 59.976 60.428 -0.452 18183 2212 1 4 . 1 1 62 62 ILE CB C 720 41.028 41.028 40.244 0.784 18183 2213 1 4 . 1 1 62 62 ILE H H 720 9.646 9.646 8.780 0.866 18183 2214 1 4 . 1 1 63 63 LYS N N 721 127.276 127.276 124.144 3.132 18183 2215 1 4 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.618 -0.391 18183 2216 1 4 . 1 1 63 63 LYS C C 721 174.877 174.877 175.317 -0.440 18183 2217 1 4 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.310 2.230 18183 2218 1 4 . 1 1 63 63 LYS CB C 721 33.049 33.049 34.358 -1.308 18183 2219 1 4 . 1 1 63 63 LYS H H 721 8.741 8.741 8.343 0.398 18183 2220 1 4 . 1 1 64 64 VAL N N 722 123.343 123.343 123.067 0.276 18183 2221 1 4 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.511 -0.338 18183 2222 1 4 . 1 1 64 64 VAL C C 722 174.522 174.522 174.639 -0.117 18183 2223 1 4 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.085 0.410 18183 2224 1 4 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.591 -3.199 18183 2225 1 4 . 1 1 64 64 VAL H H 722 8.166 8.166 8.221 -0.055 18183 2226 1 4 . 1 1 65 65 VAL N N 723 127.934 127.934 123.538 4.396 18183 2227 1 4 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.426 -0.280 18183 2228 1 4 . 1 1 65 65 VAL C C 723 174.212 174.212 174.593 -0.381 18183 2229 1 4 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.947 0.804 18183 2230 1 4 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.215 -0.936 18183 2231 1 4 . 1 1 65 65 VAL H H 723 8.469 8.469 7.968 0.501 18183 2232 1 4 . 1 1 66 66 GLU N N 724 125.632 125.632 129.038 -3.406 18183 2233 1 4 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.193 -0.037 18183 2234 1 4 . 1 1 66 66 GLU C C 724 175.573 175.573 175.622 -0.049 18183 2235 1 4 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.176 -0.619 18183 2236 1 4 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.324 1.117 18183 2237 1 4 . 1 1 66 66 GLU H H 724 8.518 8.518 8.775 -0.257 18183 2238 1 4 . 1 1 67 67 LYS N N 725 125.857 125.857 125.573 0.284 18183 2239 1 4 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.634 -0.182 18183 2240 1 4 . 1 1 67 67 LYS C C 725 175.624 175.624 175.092 0.532 18183 2241 1 4 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.642 -0.388 18183 2242 1 4 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.497 -0.456 18183 2243 1 4 . 1 1 67 67 LYS H H 725 8.671 8.671 9.199 -0.528 18183 2244 1 4 . 1 1 68 68 ASP N N 726 127.302 127.302 121.226 6.076 18183 2245 1 4 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.443 -0.252 18183 2246 1 4 . 1 1 68 68 ASP C C 726 174.291 174.291 175.386 -1.095 18183 2247 1 4 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.517 0.504 18183 2248 1 4 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.648 -0.257 18183 2249 1 4 . 1 1 68 68 ASP H H 726 9.485 9.485 8.959 0.526 18183 2250 1 4 . 1 1 69 69 ASN N N 727 110.250 110.250 110.242 0.008 18183 2251 1 4 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.241 -0.018 18183 2252 1 4 . 1 1 69 69 ASN C C 727 173.825 173.825 173.699 0.126 18183 2253 1 4 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.768 -0.096 18183 2254 1 4 . 1 1 69 69 ASN CB C 727 37.344 37.344 37.566 -0.222 18183 2255 1 4 . 1 1 69 69 ASN H H 727 8.344 8.344 8.684 -0.340 18183 2256 1 4 . 1 1 70 70 TRP N N 728 119.098 119.098 116.095 3.003 18183 2257 1 4 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.084 0.232 18183 2258 1 4 . 1 1 70 70 TRP C C 728 174.989 174.989 174.649 0.340 18183 2259 1 4 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.687 0.025 18183 2260 1 4 . 1 1 70 70 TRP CB C 728 33.343 33.343 33.378 -0.035 18183 2261 1 4 . 1 1 70 70 TRP H H 728 8.050 8.050 7.776 0.274 18183 2262 1 4 . 1 1 71 71 ILE N N 729 121.706 121.706 119.176 2.530 18183 2263 1 4 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.289 0.223 18183 2264 1 4 . 1 1 71 71 ILE C C 729 175.265 175.265 173.769 1.496 18183 2265 1 4 . 1 1 71 71 ILE CA C 729 58.794 58.794 60.421 -1.627 18183 2266 1 4 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.751 -0.660 18183 2267 1 4 . 1 1 71 71 ILE H H 729 9.298 9.298 9.266 0.032 18183 2268 1 4 . 1 1 72 72 HIS N N 730 121.063 121.063 126.154 -5.091 18183 2269 1 4 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.061 0.090 18183 2270 1 4 . 1 1 72 72 HIS C C 730 173.774 173.774 174.579 -0.805 18183 2271 1 4 . 1 1 72 72 HIS CA C 730 56.519 56.519 56.349 0.170 18183 2272 1 4 . 1 1 72 72 HIS CB C 730 32.509 32.509 33.532 -1.023 18183 2273 1 4 . 1 1 72 72 HIS H H 730 9.024 9.024 8.826 0.198 18183 2274 1 4 . 1 1 73 73 ILE N N 731 112.363 112.363 121.155 -8.792 18183 2275 1 4 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.261 0.635 18183 2276 1 4 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.749 -0.447 18183 2277 1 4 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.633 0.754 18183 2278 1 4 . 1 1 73 73 ILE H H 731 9.425 9.425 8.257 1.168 18183 2279 1 4 . 1 1 74 74 THR N N 732 117.292 117.292 113.213 4.079 18183 2280 1 4 . 1 1 74 74 THR HA H 732 4.679 4.679 4.415 0.264 18183 2281 1 4 . 1 1 74 74 THR C C 732 173.467 173.467 173.470 -0.003 18183 2282 1 4 . 1 1 74 74 THR CA C 732 59.795 59.795 59.906 -0.111 18183 2283 1 4 . 1 1 74 74 THR CB C 732 69.896 69.896 70.745 -0.849 18183 2284 1 4 . 1 1 74 74 THR H H 732 8.421 8.421 6.852 1.569 18183 2285 1 4 . 1 1 75 75 GLU N N 733 123.689 123.689 120.701 2.988 18183 2286 1 4 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.679 -1.705 18183 2287 1 4 . 1 1 75 75 GLU C C 733 175.819 175.819 175.409 0.410 18183 2288 1 4 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.671 2.227 18183 2289 1 4 . 1 1 75 75 GLU CB C 733 28.991 28.991 28.905 0.086 18183 2290 1 4 . 1 1 75 75 GLU H H 733 8.615 8.615 8.620 -0.005 18183 2291 1 4 . 1 1 76 76 ALA N N 734 117.705 117.705 122.421 -4.716 18183 2292 1 4 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.412 -0.500 18183 2293 1 4 . 1 1 76 76 ALA C C 734 177.024 177.024 177.023 0.001 18183 2294 1 4 . 1 1 76 76 ALA CA C 734 53.262 53.262 53.079 0.183 18183 2295 1 4 . 1 1 76 76 ALA CB C 734 19.797 19.797 21.015 -1.218 18183 2296 1 4 . 1 1 76 76 ALA H H 734 7.654 7.654 8.257 -0.603 18183 2297 1 4 . 1 1 77 77 LYS N N 735 119.239 119.239 118.291 0.948 18183 2298 1 4 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.064 0.027 18183 2299 1 4 . 1 1 77 77 LYS C C 735 172.048 172.048 173.431 -1.383 18183 2300 1 4 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.587 -1.214 18183 2301 1 4 . 1 1 77 77 LYS CB C 735 33.343 33.343 35.151 -1.808 18183 2302 1 4 . 1 1 77 77 LYS H H 735 7.214 7.214 7.369 -0.155 18183 2303 1 4 . 1 1 78 78 LYS N N 736 123.194 123.194 122.643 0.551 18183 2304 1 4 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.173 0.564 18183 2305 1 4 . 1 1 78 78 LYS C C 736 174.901 174.901 175.883 -0.982 18183 2306 1 4 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.851 -1.148 18183 2307 1 4 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.026 2.067 18183 2308 1 4 . 1 1 78 78 LYS H H 736 7.850 7.850 7.709 0.141 18183 2309 1 4 . 1 1 79 79 PHE N N 737 117.645 117.645 122.577 -4.932 18183 2310 1 4 . 1 1 79 79 PHE HA H 737 4.926 4.926 5.010 -0.084 18183 2311 1 4 . 1 1 79 79 PHE C C 737 175.500 175.500 175.710 -0.210 18183 2312 1 4 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.676 -0.763 18183 2313 1 4 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.129 1.339 18183 2314 1 4 . 1 1 79 79 PHE H H 737 9.079 9.079 9.043 0.036 18183 2315 1 4 . 1 1 80 80 ASP N N 738 119.264 119.264 121.266 -2.002 18183 2316 1 4 . 1 1 80 80 ASP HA H 738 4.717 4.717 4.196 0.521 18183 2317 1 4 . 1 1 80 80 ASP C C 738 176.014 176.014 176.914 -0.900 18183 2318 1 4 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.505 -0.860 18183 2319 1 4 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.546 0.174 18183 2320 1 4 . 1 1 80 80 ASP H H 738 9.332 9.332 8.710 0.622 18183 2321 1 4 . 1 1 81 81 SER N N 739 108.541 108.541 111.166 -2.625 18183 2322 1 4 . 1 1 81 81 SER HA H 739 4.649 4.649 4.688 -0.039 18183 2323 1 4 . 1 1 81 81 SER C C 739 173.719 173.719 174.305 -0.586 18183 2324 1 4 . 1 1 81 81 SER CA C 739 57.148 57.148 56.444 0.704 18183 2325 1 4 . 1 1 81 81 SER CB C 739 66.475 66.475 66.997 -0.522 18183 2326 1 4 . 1 1 81 81 SER H H 739 7.379 7.379 7.505 -0.126 18183 2327 1 4 . 1 1 82 82 LEU N N 740 122.926 122.926 122.441 0.485 18183 2328 1 4 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.946 -0.190 18183 2329 1 4 . 1 1 82 82 LEU C C 740 177.267 177.267 177.792 -0.525 18183 2330 1 4 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.998 -0.164 18183 2331 1 4 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.624 -1.041 18183 2332 1 4 . 1 1 82 82 LEU H H 740 8.939 8.939 8.865 0.074 18183 2333 1 4 . 1 1 83 83 LEU N N 741 116.722 116.722 117.457 -0.735 18183 2334 1 4 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.722 0.053 18183 2335 1 4 . 1 1 83 83 LEU C C 741 177.528 177.528 178.076 -0.548 18183 2336 1 4 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.053 0.086 18183 2337 1 4 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.280 0.397 18183 2338 1 4 . 1 1 83 83 LEU H H 741 7.814 7.814 7.483 0.331 18183 2339 1 4 . 1 1 84 84 GLU N N 742 116.747 116.747 119.417 -2.670 18183 2340 1 4 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.974 -0.107 18183 2341 1 4 . 1 1 84 84 GLU C C 742 178.282 178.282 178.727 -0.445 18183 2342 1 4 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.115 0.023 18183 2343 1 4 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.459 0.974 18183 2344 1 4 . 1 1 84 84 GLU H H 742 7.541 7.541 7.706 -0.165 18183 2345 1 4 . 1 1 85 85 LEU N N 743 122.157 122.157 120.800 1.357 18183 2346 1 4 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.014 -0.051 18183 2347 1 4 . 1 1 85 85 LEU C C 743 177.315 177.315 178.131 -0.816 18183 2348 1 4 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.239 1.500 18183 2349 1 4 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.757 -0.042 18183 2350 1 4 . 1 1 85 85 LEU H H 743 7.076 7.076 7.346 -0.270 18183 2351 1 4 . 1 1 86 86 VAL N N 744 119.754 119.754 117.534 2.220 18183 2352 1 4 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.418 -0.628 18183 2353 1 4 . 1 1 86 86 VAL C C 744 177.621 177.621 178.261 -0.640 18183 2354 1 4 . 1 1 86 86 VAL CA C 744 66.844 66.844 65.387 1.457 18183 2355 1 4 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.127 0.838 18183 2356 1 4 . 1 1 86 86 VAL H H 744 8.116 8.116 7.419 0.697 18183 2357 1 4 . 1 1 87 87 GLU N N 745 116.169 116.169 119.848 -3.679 18183 2358 1 4 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.825 -0.110 18183 2359 1 4 . 1 1 87 87 GLU C C 745 179.560 179.560 179.068 0.492 18183 2360 1 4 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.790 -0.468 18183 2361 1 4 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.321 -0.235 18183 2362 1 4 . 1 1 87 87 GLU H H 745 8.168 8.168 7.491 0.677 18183 2363 1 4 . 1 1 88 88 TYR N N 746 120.022 120.022 120.548 -0.526 18183 2364 1 4 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.213 -0.120 18183 2365 1 4 . 1 1 88 88 TYR C C 746 180.010 180.010 177.972 2.038 18183 2366 1 4 . 1 1 88 88 TYR CA C 746 62.594 62.594 62.224 0.370 18183 2367 1 4 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.809 0.019 18183 2368 1 4 . 1 1 88 88 TYR H H 746 7.774 7.774 7.600 0.174 18183 2369 1 4 . 1 1 89 89 TYR N N 747 118.480 118.480 118.049 0.431 18183 2370 1 4 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.690 0.365 18183 2371 1 4 . 1 1 89 89 TYR C C 747 175.796 175.796 178.717 -2.921 18183 2372 1 4 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.466 -0.329 18183 2373 1 4 . 1 1 89 89 TYR CB C 747 36.930 36.930 38.116 -1.186 18183 2374 1 4 . 1 1 89 89 TYR H H 747 7.782 7.782 7.894 -0.112 18183 2375 1 4 . 1 1 90 90 GLN N N 748 118.696 118.696 117.083 1.613 18183 2376 1 4 . 1 1 90 90 GLN HA H 748 4.389 4.389 4.063 0.326 18183 2377 1 4 . 1 1 90 90 GLN C C 748 177.777 177.777 176.763 1.014 18183 2378 1 4 . 1 1 90 90 GLN CA C 748 57.717 57.717 58.818 -1.101 18183 2379 1 4 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.776 -0.256 18183 2380 1 4 . 1 1 90 90 GLN H H 748 7.838 7.838 8.248 -0.410 18183 2381 1 4 . 1 1 91 91 CYS N N 749 111.118 111.118 115.398 -4.280 18183 2382 1 4 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.467 0.135 18183 2383 1 4 . 1 1 91 91 CYS C C 749 172.887 172.887 174.787 -1.900 18183 2384 1 4 . 1 1 91 91 CYS CA C 749 57.434 57.434 58.295 -0.861 18183 2385 1 4 . 1 1 91 91 CYS CB C 749 29.266 29.266 29.803 -0.537 18183 2386 1 4 . 1 1 91 91 CYS H H 749 7.145 7.145 7.416 -0.271 18183 2387 1 4 . 1 1 92 92 HIS N N 750 120.227 120.227 120.208 0.019 18183 2388 1 4 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.540 -0.208 18183 2389 1 4 . 1 1 92 92 HIS C C 750 171.842 171.842 174.376 -2.534 18183 2390 1 4 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.454 -0.377 18183 2391 1 4 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.627 -2.251 18183 2392 1 4 . 1 1 92 92 HIS H H 750 7.470 7.470 8.211 -0.741 18183 2393 1 4 . 1 1 93 93 SER N N 751 113.120 113.120 118.687 -5.567 18183 2394 1 4 . 1 1 93 93 SER HA H 751 3.782 3.782 4.457 -0.675 18183 2395 1 4 . 1 1 93 93 SER C C 751 176.653 176.653 175.359 1.294 18183 2396 1 4 . 1 1 93 93 SER CA C 751 57.812 57.812 58.912 -1.100 18183 2397 1 4 . 1 1 93 93 SER CB C 751 62.783 62.783 63.884 -1.101 18183 2398 1 4 . 1 1 93 93 SER H H 751 8.404 8.404 8.861 -0.457 18183 2399 1 4 . 1 1 94 94 LEU N N 752 127.293 127.293 122.316 4.977 18183 2400 1 4 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.687 -0.618 18183 2401 1 4 . 1 1 94 94 LEU C C 752 177.524 177.524 177.729 -0.205 18183 2402 1 4 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.736 1.660 18183 2403 1 4 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.447 1.040 18183 2404 1 4 . 1 1 94 94 LEU H H 752 8.553 8.553 8.611 -0.058 18183 2405 1 4 . 1 1 95 95 LYS N N 753 122.249 122.249 119.231 3.018 18183 2406 1 4 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.403 -0.075 18183 2407 1 4 . 1 1 95 95 LYS C C 753 176.426 176.426 178.097 -1.671 18183 2408 1 4 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.476 -0.922 18183 2409 1 4 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.529 0.645 18183 2410 1 4 . 1 1 95 95 LYS H H 753 8.303 8.303 8.345 -0.042 18183 2411 1 4 . 1 1 96 96 GLU N N 754 115.401 115.401 119.704 -4.303 18183 2412 1 4 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.099 -0.014 18183 2413 1 4 . 1 1 96 96 GLU C C 754 176.838 176.838 178.022 -1.184 18183 2414 1 4 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.785 -0.688 18183 2415 1 4 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.526 -0.025 18183 2416 1 4 . 1 1 96 96 GLU H H 754 7.188 7.188 7.998 -0.810 18183 2417 1 4 . 1 1 97 97 SER N N 755 113.852 113.852 113.447 0.405 18183 2418 1 4 . 1 1 97 97 SER HA H 755 4.402 4.402 4.449 -0.047 18183 2419 1 4 . 1 1 97 97 SER C C 755 172.067 172.067 174.382 -2.315 18183 2420 1 4 . 1 1 97 97 SER CA C 755 59.448 59.448 59.633 -0.185 18183 2421 1 4 . 1 1 97 97 SER CB C 755 65.680 65.680 64.733 0.947 18183 2422 1 4 . 1 1 97 97 SER H H 755 7.838 7.838 7.751 0.087 18183 2423 1 4 . 1 1 98 98 PHE N N 756 121.742 121.742 122.349 -0.607 18183 2424 1 4 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.785 -0.215 18183 2425 1 4 . 1 1 98 98 PHE C C 756 174.941 174.941 175.734 -0.793 18183 2426 1 4 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.792 -0.044 18183 2427 1 4 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.086 0.195 18183 2428 1 4 . 1 1 98 98 PHE H H 756 8.223 8.223 8.845 -0.622 18183 2429 1 4 . 1 1 99 99 LYS N N 757 122.713 122.713 127.016 -4.303 18183 2430 1 4 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.003 0.068 18183 2431 1 4 . 1 1 99 99 LYS C C 757 176.793 176.793 177.369 -0.576 18183 2432 1 4 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.340 -0.183 18183 2433 1 4 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.489 -0.156 18183 2434 1 4 . 1 1 99 99 LYS H H 757 8.388 8.388 8.766 -0.378 18183 2435 1 4 . 1 1 100 100 GLN N N 758 114.972 114.972 115.760 -0.788 18183 2436 1 4 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.292 -0.131 18183 2437 1 4 . 1 1 100 100 GLN C C 758 175.591 175.591 176.175 -0.584 18183 2438 1 4 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.795 -0.326 18183 2439 1 4 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.600 -0.613 18183 2440 1 4 . 1 1 100 100 GLN H H 758 8.662 8.662 8.439 0.223 18183 2441 1 4 . 1 1 101 101 LEU N N 759 124.472 124.472 123.012 1.460 18183 2442 1 4 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.610 -0.931 18183 2443 1 4 . 1 1 101 101 LEU C C 759 173.228 173.228 174.918 -1.690 18183 2444 1 4 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.148 -1.823 18183 2445 1 4 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.133 -0.621 18183 2446 1 4 . 1 1 101 101 LEU H H 759 7.884 7.884 7.629 0.255 18183 2447 1 4 . 1 1 102 102 ASP N N 760 119.321 119.321 127.048 -7.727 18183 2448 1 4 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.853 -0.368 18183 2449 1 4 . 1 1 102 102 ASP C C 760 173.467 173.467 175.253 -1.786 18183 2450 1 4 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.455 -1.330 18183 2451 1 4 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.053 -1.025 18183 2452 1 4 . 1 1 102 102 ASP H H 760 6.594 6.594 8.288 -1.694 18183 2453 1 4 . 1 1 103 103 THR N N 761 117.213 117.213 115.448 1.765 18183 2454 1 4 . 1 1 103 103 THR HA H 761 4.643 4.643 4.376 0.267 18183 2455 1 4 . 1 1 103 103 THR C C 761 172.158 172.158 172.239 -0.081 18183 2456 1 4 . 1 1 103 103 THR CA C 761 60.197 60.197 59.928 0.269 18183 2457 1 4 . 1 1 103 103 THR CB C 761 69.046 69.046 70.240 -1.194 18183 2458 1 4 . 1 1 103 103 THR H H 761 7.637 7.637 7.415 0.222 18183 2459 1 4 . 1 1 104 104 THR N N 762 114.193 114.193 114.115 0.078 18183 2460 1 4 . 1 1 104 104 THR HA H 762 4.569 4.569 4.556 0.013 18183 2461 1 4 . 1 1 104 104 THR C C 762 175.698 175.698 173.720 1.978 18183 2462 1 4 . 1 1 104 104 THR CA C 762 60.808 60.808 59.743 1.065 18183 2463 1 4 . 1 1 104 104 THR CB C 762 70.636 70.636 71.351 -0.715 18183 2464 1 4 . 1 1 104 104 THR H H 762 7.284 7.284 8.112 -0.828 18183 2465 1 4 . 1 1 105 105 LEU N N 763 117.473 117.473 121.970 -4.497 18183 2466 1 4 . 1 1 105 105 LEU HA H 763 3.463 3.463 4.539 -1.076 18183 2467 1 4 . 1 1 105 105 LEU C C 763 174.348 174.348 177.076 -2.728 18183 2468 1 4 . 1 1 105 105 LEU CA C 763 53.982 53.982 53.778 0.204 18183 2469 1 4 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.472 -3.789 18183 2470 1 4 . 1 1 105 105 LEU H H 763 8.093 8.093 8.624 -0.531 18183 2471 1 4 . 1 1 106 106 LYS N N 764 127.491 127.491 124.106 3.385 18183 2472 1 4 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.087 -0.129 18183 2473 1 4 . 1 1 106 106 LYS C C 764 176.734 176.734 176.164 0.570 18183 2474 1 4 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.881 1.815 18183 2475 1 4 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.648 1.519 18183 2476 1 4 . 1 1 106 106 LYS H H 764 7.118 7.118 8.334 -1.216 18183 2477 1 4 . 1 1 107 107 TYR N N 765 115.804 115.804 114.718 1.086 18183 2478 1 4 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.627 0.837 18183 2479 1 4 . 1 1 107 107 TYR C C 765 172.048 172.048 171.981 0.067 18183 2480 1 4 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.717 -2.198 18183 2481 1 4 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.929 1.447 18183 2482 1 4 . 1 1 107 107 TYR H H 765 7.848 7.848 7.700 0.148 18183 2483 1 4 . 1 1 108 108 PRO HA H 766 3.626 3.626 3.942 -0.316 18183 2484 1 4 . 1 1 108 108 PRO C C 766 180.469 180.469 176.300 4.169 18183 2485 1 4 . 1 1 109 109 TYR N N 767 122.791 122.791 115.073 7.718 18183 2486 1 4 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.116 -0.332 18183 2487 1 4 . 1 1 109 109 TYR C C 767 174.575 174.575 177.795 -3.220 18183 2488 1 4 . 1 1 109 109 TYR CA C 767 60.986 60.986 59.202 1.784 18183 2489 1 4 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.579 0.047 18183 2490 1 4 . 1 1 109 109 TYR H H 767 8.306 8.306 7.844 0.462 18183 2491 1 4 . 1 1 110 110 LYS N N 768 118.817 118.817 121.197 -2.380 18183 2492 1 4 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.832 0.071 18183 2493 1 4 . 1 1 110 110 LYS C C 768 176.259 176.259 176.447 -0.188 18183 2494 1 4 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.555 -1.960 18183 2495 1 4 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.110 0.495 18183 2496 1 4 . 1 1 110 110 LYS H H 768 6.785 6.785 7.978 -1.193 18183 2497 1 4 . 1 1 111 111 SER N N 769 114.539 114.539 112.763 1.776 18183 2498 1 4 . 1 1 111 111 SER HA H 769 4.317 4.317 4.536 -0.219 18183 2499 1 4 . 1 1 111 111 SER C C 769 174.092 174.092 172.794 1.298 18183 2500 1 4 . 1 1 111 111 SER CA C 769 58.647 58.647 58.820 -0.173 18183 2501 1 4 . 1 1 111 111 SER CB C 769 63.883 63.883 63.892 -0.009 18183 2502 1 4 . 1 1 111 111 SER H H 769 7.765 7.765 7.968 -0.203 18183 2503 1 4 . 1 1 112 112 ARG N N 770 122.458 122.458 125.376 -2.918 18183 2504 1 4 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.485 -0.163 18183 2505 1 4 . 1 1 112 112 ARG C C 770 175.130 175.130 175.652 -0.522 18183 2506 1 4 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.575 0.089 18183 2507 1 4 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.106 -0.226 18183 2508 1 4 . 1 1 112 112 ARG H H 770 8.082 8.082 8.599 -0.517 18183 2509 1 5 . 1 1 2 2 ARG N N 660 123.546 123.546 122.054 1.492 18183 2510 1 5 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.463 0.113 18183 2511 1 5 . 1 1 2 2 ARG CA C 660 53.850 53.850 55.329 -1.479 18183 2512 1 5 . 1 1 2 2 ARG CB C 660 30.347 30.347 29.545 0.802 18183 2513 1 5 . 1 1 2 2 ARG H H 660 8.258 8.258 8.341 -0.083 18183 2514 1 5 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.485 -0.129 18183 2515 1 5 . 1 1 4 4 PRO C C 662 177.047 177.047 176.811 0.236 18183 2516 1 5 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.680 0.541 18183 2517 1 5 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.436 -0.461 18183 2518 1 5 . 1 1 5 5 SER N N 663 116.108 116.108 113.461 2.647 18183 2519 1 5 . 1 1 5 5 SER HA H 663 4.335 4.335 4.557 -0.222 18183 2520 1 5 . 1 1 5 5 SER C C 663 174.708 174.708 175.501 -0.793 18183 2521 1 5 . 1 1 5 5 SER CA C 663 58.639 58.639 59.051 -0.412 18183 2522 1 5 . 1 1 5 5 SER CB C 663 63.849 63.849 63.650 0.199 18183 2523 1 5 . 1 1 5 5 SER H H 663 8.385 8.385 8.253 0.132 18183 2524 1 5 . 1 1 6 6 ARG N N 664 122.132 122.132 120.329 1.803 18183 2525 1 5 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.166 0.153 18183 2526 1 5 . 1 1 6 6 ARG C C 664 175.951 175.951 176.094 -0.143 18183 2527 1 5 . 1 1 6 6 ARG CA C 664 55.931 55.931 57.153 -1.222 18183 2528 1 5 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.221 0.611 18183 2529 1 5 . 1 1 6 6 ARG H H 664 8.347 8.347 8.195 0.152 18183 2530 1 5 . 1 1 7 7 GLU N N 665 122.268 122.268 119.075 3.193 18183 2531 1 5 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.397 -0.135 18183 2532 1 5 . 1 1 7 7 GLU C C 665 175.809 175.809 174.771 1.038 18183 2533 1 5 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.524 0.646 18183 2534 1 5 . 1 1 7 7 GLU CB C 665 29.908 29.908 31.183 -1.275 18183 2535 1 5 . 1 1 7 7 GLU H H 665 8.336 8.336 7.860 0.476 18183 2536 1 5 . 1 1 8 8 ILE N N 666 123.984 123.984 123.374 0.610 18183 2537 1 5 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.062 -0.282 18183 2538 1 5 . 1 1 8 8 ILE C C 666 174.325 174.325 175.941 -1.616 18183 2539 1 5 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.839 -0.030 18183 2540 1 5 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.594 0.639 18183 2541 1 5 . 1 1 8 8 ILE H H 666 7.920 7.920 8.082 -0.162 18183 2542 1 5 . 1 1 9 9 ASP N N 667 124.228 124.228 126.093 -1.865 18183 2543 1 5 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.658 -0.090 18183 2544 1 5 . 1 1 9 9 ASP C C 667 177.001 177.001 176.152 0.849 18183 2545 1 5 . 1 1 9 9 ASP CA C 667 51.991 51.991 52.806 -0.815 18183 2546 1 5 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.897 0.413 18183 2547 1 5 . 1 1 9 9 ASP H H 667 8.072 8.072 8.477 -0.405 18183 2548 1 5 . 1 1 10 10 TYR N N 668 125.329 125.329 120.384 4.945 18183 2549 1 5 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.267 -0.139 18183 2550 1 5 . 1 1 10 10 TYR C C 668 175.901 175.901 177.340 -1.439 18183 2551 1 5 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.736 0.821 18183 2552 1 5 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.293 -1.127 18183 2553 1 5 . 1 1 10 10 TYR H H 668 8.493 8.493 7.751 0.742 18183 2554 1 5 . 1 1 11 11 THR N N 669 108.533 108.533 109.482 -0.949 18183 2555 1 5 . 1 1 11 11 THR HA H 669 4.082 4.082 3.521 0.561 18183 2556 1 5 . 1 1 11 11 THR C C 669 175.170 175.170 175.098 0.072 18183 2557 1 5 . 1 1 11 11 THR CA C 669 64.701 64.701 63.936 0.765 18183 2558 1 5 . 1 1 11 11 THR CB C 669 68.924 68.924 68.456 0.468 18183 2559 1 5 . 1 1 11 11 THR H H 669 7.948 7.948 7.687 0.261 18183 2560 1 5 . 1 1 12 12 ALA N N 670 121.252 121.252 123.180 -1.928 18183 2561 1 5 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.074 -0.051 18183 2562 1 5 . 1 1 12 12 ALA C C 670 177.747 177.747 177.954 -0.207 18183 2563 1 5 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.968 -0.469 18183 2564 1 5 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.782 0.445 18183 2565 1 5 . 1 1 12 12 ALA H H 670 7.366 7.366 7.266 0.100 18183 2566 1 5 . 1 1 13 13 TYR N N 671 117.895 117.895 118.297 -0.402 18183 2567 1 5 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.212 0.040 18183 2568 1 5 . 1 1 13 13 TYR C C 671 176.545 176.545 174.942 1.603 18183 2569 1 5 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.433 0.039 18183 2570 1 5 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.559 -1.000 18183 2571 1 5 . 1 1 13 13 TYR H H 671 7.490 7.490 7.398 0.092 18183 2572 1 5 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.184 0.116 18183 2573 1 5 . 1 1 14 14 PRO C C 672 173.638 173.638 176.700 -3.062 18183 2574 1 5 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.831 -1.079 18183 2575 1 5 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.972 -0.728 18183 2576 1 5 . 1 1 15 15 TRP N N 673 109.940 109.940 115.071 -5.131 18183 2577 1 5 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.639 0.066 18183 2578 1 5 . 1 1 15 15 TRP C C 673 175.471 175.471 177.157 -1.686 18183 2579 1 5 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.490 -2.640 18183 2580 1 5 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.523 3.913 18183 2581 1 5 . 1 1 15 15 TRP H H 673 6.184 6.184 7.411 -1.227 18183 2582 1 5 . 1 1 16 16 PHE N N 674 123.228 123.228 121.326 1.902 18183 2583 1 5 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.883 0.218 18183 2584 1 5 . 1 1 16 16 PHE C C 674 174.684 174.684 174.561 0.123 18183 2585 1 5 . 1 1 16 16 PHE CA C 674 59.566 59.566 58.985 0.581 18183 2586 1 5 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.557 -0.589 18183 2587 1 5 . 1 1 16 16 PHE H H 674 7.585 7.585 7.878 -0.293 18183 2588 1 5 . 1 1 17 17 ALA N N 675 130.573 130.573 128.809 1.764 18183 2589 1 5 . 1 1 17 17 ALA HA H 675 4.842 4.842 5.000 -0.158 18183 2590 1 5 . 1 1 17 17 ALA C C 675 177.161 177.161 176.334 0.827 18183 2591 1 5 . 1 1 17 17 ALA CA C 675 51.168 51.168 50.224 0.944 18183 2592 1 5 . 1 1 17 17 ALA CB C 675 21.968 21.968 22.315 -0.347 18183 2593 1 5 . 1 1 17 17 ALA H H 675 9.004 9.004 8.215 0.789 18183 2594 1 5 . 1 1 18 18 GLY C C 676 174.000 174.000 174.105 -0.105 18183 2595 1 5 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.389 2.102 18183 2596 1 5 . 1 1 19 19 ASN N N 677 124.182 124.182 118.924 5.258 18183 2597 1 5 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.546 0.460 18183 2598 1 5 . 1 1 19 19 ASN C C 677 174.916 174.916 175.140 -0.224 18183 2599 1 5 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.836 -1.231 18183 2600 1 5 . 1 1 19 19 ASN CB C 677 37.065 37.065 38.159 -1.094 18183 2601 1 5 . 1 1 19 19 ASN H H 677 8.657 8.657 8.658 -0.001 18183 2602 1 5 . 1 1 20 20 MET N N 678 122.806 122.806 121.970 0.836 18183 2603 1 5 . 1 1 20 20 MET HA H 678 4.173 4.173 4.453 -0.280 18183 2604 1 5 . 1 1 20 20 MET C C 678 175.317 175.317 175.801 -0.484 18183 2605 1 5 . 1 1 20 20 MET CA C 678 56.274 56.274 54.838 1.436 18183 2606 1 5 . 1 1 20 20 MET CB C 678 35.581 35.581 33.910 1.671 18183 2607 1 5 . 1 1 20 20 MET H H 678 7.158 7.158 8.241 -1.083 18183 2608 1 5 . 1 1 21 21 GLU N N 679 124.655 124.655 119.450 5.205 18183 2609 1 5 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.463 -0.262 18183 2610 1 5 . 1 1 21 21 GLU C C 679 178.105 178.105 177.764 0.341 18183 2611 1 5 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.435 0.581 18183 2612 1 5 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.889 0.001 18183 2613 1 5 . 1 1 21 21 GLU H H 679 8.687 8.687 8.632 0.055 18183 2614 1 5 . 1 1 22 22 ARG N N 680 125.764 125.764 123.133 2.631 18183 2615 1 5 . 1 1 22 22 ARG HA H 680 3.280 3.280 4.017 -0.737 18183 2616 1 5 . 1 1 22 22 ARG C C 680 177.559 177.559 178.922 -1.363 18183 2617 1 5 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.652 0.402 18183 2618 1 5 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.428 -0.560 18183 2619 1 5 . 1 1 22 22 ARG H H 680 9.191 9.191 8.732 0.459 18183 2620 1 5 . 1 1 23 23 GLN N N 681 118.109 118.109 118.980 -0.871 18183 2621 1 5 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.041 -0.048 18183 2622 1 5 . 1 1 23 23 GLN C C 681 178.252 178.252 178.172 0.080 18183 2623 1 5 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.468 0.131 18183 2624 1 5 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.842 -0.077 18183 2625 1 5 . 1 1 23 23 GLN H H 681 9.085 9.085 8.622 0.463 18183 2626 1 5 . 1 1 24 24 GLN N N 682 118.128 118.128 117.526 0.602 18183 2627 1 5 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.050 0.001 18183 2628 1 5 . 1 1 24 24 GLN C C 682 178.328 178.328 178.654 -0.326 18183 2629 1 5 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.354 -0.589 18183 2630 1 5 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.396 -0.164 18183 2631 1 5 . 1 1 24 24 GLN H H 682 7.287 7.287 8.629 -1.342 18183 2632 1 5 . 1 1 25 25 THR N N 683 116.436 116.436 116.293 0.143 18183 2633 1 5 . 1 1 25 25 THR HA H 683 3.641 3.641 3.889 -0.248 18183 2634 1 5 . 1 1 25 25 THR CA C 683 67.504 67.504 66.890 0.614 18183 2635 1 5 . 1 1 25 25 THR CB C 683 67.667 67.667 68.428 -0.761 18183 2636 1 5 . 1 1 25 25 THR H H 683 7.813 7.813 8.184 -0.371 18183 2637 1 5 . 1 1 26 26 ASP N N 684 123.084 123.084 121.215 1.869 18183 2638 1 5 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.406 -0.178 18183 2639 1 5 . 1 1 26 26 ASP C C 684 178.426 178.426 178.264 0.162 18183 2640 1 5 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.583 0.437 18183 2641 1 5 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.114 -1.288 18183 2642 1 5 . 1 1 26 26 ASP H H 684 8.384 8.384 7.678 0.706 18183 2643 1 5 . 1 1 27 27 ASN N N 685 116.068 116.068 118.080 -2.012 18183 2644 1 5 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.452 -0.133 18183 2645 1 5 . 1 1 27 27 ASN C C 685 177.207 177.207 177.909 -0.702 18183 2646 1 5 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.356 0.391 18183 2647 1 5 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.194 0.003 18183 2648 1 5 . 1 1 27 27 ASN H H 685 7.667 7.667 8.243 -0.576 18183 2649 1 5 . 1 1 28 28 LEU N N 686 120.906 120.906 119.718 1.188 18183 2650 1 5 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.203 -0.034 18183 2651 1 5 . 1 1 28 28 LEU C C 686 179.394 179.394 178.625 0.769 18183 2652 1 5 . 1 1 28 28 LEU CA C 686 57.821 57.821 58.289 -0.468 18183 2653 1 5 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.712 -0.020 18183 2654 1 5 . 1 1 28 28 LEU H H 686 7.993 7.993 7.736 0.257 18183 2655 1 5 . 1 1 29 29 LEU N N 687 114.941 114.941 115.581 -0.640 18183 2656 1 5 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.674 -0.623 18183 2657 1 5 . 1 1 29 29 LEU C C 687 178.742 178.742 178.634 0.108 18183 2658 1 5 . 1 1 29 29 LEU CA C 687 56.437 56.437 55.518 0.919 18183 2659 1 5 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.264 1.578 18183 2660 1 5 . 1 1 29 29 LEU H H 687 8.166 8.166 7.768 0.398 18183 2661 1 5 . 1 1 30 30 LYS N N 688 118.446 118.446 119.388 -0.942 18183 2662 1 5 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.148 -0.435 18183 2663 1 5 . 1 1 30 30 LYS C C 688 177.260 177.260 177.086 0.174 18183 2664 1 5 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.611 1.867 18183 2665 1 5 . 1 1 30 30 LYS CB C 688 32.084 32.084 31.825 0.259 18183 2666 1 5 . 1 1 30 30 LYS H H 688 7.635 7.635 7.787 -0.152 18183 2667 1 5 . 1 1 31 31 SER N N 689 111.039 111.039 114.597 -3.558 18183 2668 1 5 . 1 1 31 31 SER HA H 689 4.417 4.417 4.660 -0.243 18183 2669 1 5 . 1 1 31 31 SER C C 689 174.495 174.495 173.934 0.561 18183 2670 1 5 . 1 1 31 31 SER CA C 689 58.387 58.387 57.428 0.959 18183 2671 1 5 . 1 1 31 31 SER CB C 689 63.281 63.281 63.673 -0.393 18183 2672 1 5 . 1 1 31 31 SER H H 689 7.709 7.709 7.955 -0.246 18183 2673 1 5 . 1 1 32 32 HIS N N 690 120.253 120.253 120.298 -0.045 18183 2674 1 5 . 1 1 32 32 HIS HA H 690 4.576 4.576 5.048 -0.472 18183 2675 1 5 . 1 1 32 32 HIS C C 690 173.913 173.913 174.365 -0.452 18183 2676 1 5 . 1 1 32 32 HIS CA C 690 56.076 56.076 55.642 0.433 18183 2677 1 5 . 1 1 32 32 HIS CB C 690 31.853 31.853 32.005 -0.152 18183 2678 1 5 . 1 1 32 32 HIS H H 690 7.647 7.647 7.624 0.023 18183 2679 1 5 . 1 1 33 33 ALA N N 691 120.403 120.403 122.310 -1.907 18183 2680 1 5 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.682 -0.404 18183 2681 1 5 . 1 1 33 33 ALA C C 691 179.503 179.503 176.686 2.817 18183 2682 1 5 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.026 0.692 18183 2683 1 5 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.884 -0.615 18183 2684 1 5 . 1 1 33 33 ALA H H 691 8.452 8.452 8.706 -0.254 18183 2685 1 5 . 1 1 34 34 SER N N 692 117.464 117.464 115.965 1.499 18183 2686 1 5 . 1 1 34 34 SER HA H 692 4.047 4.047 4.665 -0.618 18183 2687 1 5 . 1 1 34 34 SER C C 692 175.307 175.307 175.862 -0.555 18183 2688 1 5 . 1 1 34 34 SER CA C 692 60.434 60.434 59.432 1.002 18183 2689 1 5 . 1 1 34 34 SER CB C 692 63.132 63.132 63.154 -0.022 18183 2690 1 5 . 1 1 34 34 SER H H 692 9.002 9.002 8.368 0.634 18183 2691 1 5 . 1 1 35 35 GLY N N 693 113.364 113.364 114.645 -1.281 18183 2692 1 5 . 1 1 35 35 GLY C C 693 174.739 174.739 174.103 0.636 18183 2693 1 5 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.023 -0.173 18183 2694 1 5 . 1 1 35 35 GLY H H 693 9.873 9.873 8.822 1.051 18183 2695 1 5 . 1 1 36 36 THR N N 694 120.932 120.932 120.601 0.331 18183 2696 1 5 . 1 1 36 36 THR HA H 694 5.923 5.923 5.287 0.636 18183 2697 1 5 . 1 1 36 36 THR C C 694 173.253 173.253 173.661 -0.408 18183 2698 1 5 . 1 1 36 36 THR CA C 694 63.429 63.429 63.670 -0.241 18183 2699 1 5 . 1 1 36 36 THR CB C 694 68.091 68.091 68.650 -0.559 18183 2700 1 5 . 1 1 36 36 THR H H 694 8.240 8.240 7.555 0.685 18183 2701 1 5 . 1 1 37 37 TYR N N 695 123.567 123.567 124.409 -0.842 18183 2702 1 5 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.558 0.418 18183 2703 1 5 . 1 1 37 37 TYR C C 695 171.737 171.737 173.098 -1.361 18183 2704 1 5 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.665 0.570 18183 2705 1 5 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.521 2.768 18183 2706 1 5 . 1 1 37 37 TYR H H 695 8.765 8.765 8.860 -0.095 18183 2707 1 5 . 1 1 38 38 LEU N N 696 115.294 115.294 115.910 -0.616 18183 2708 1 5 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.151 -0.048 18183 2709 1 5 . 1 1 38 38 LEU C C 696 174.368 174.368 174.600 -0.232 18183 2710 1 5 . 1 1 38 38 LEU CA C 696 53.832 53.832 53.843 -0.011 18183 2711 1 5 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.075 0.218 18183 2712 1 5 . 1 1 38 38 LEU H H 696 9.008 9.008 9.016 -0.008 18183 2713 1 5 . 1 1 39 39 ILE N N 697 122.087 122.087 120.967 1.120 18183 2714 1 5 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.671 0.622 18183 2715 1 5 . 1 1 39 39 ILE C C 697 173.625 173.625 175.059 -1.434 18183 2716 1 5 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.441 -0.635 18183 2717 1 5 . 1 1 39 39 ILE CB C 697 38.766 38.766 38.904 -0.138 18183 2718 1 5 . 1 1 39 39 ILE H H 697 9.276 9.276 8.696 0.580 18183 2719 1 5 . 1 1 40 40 ARG N N 698 123.307 123.307 126.342 -3.035 18183 2720 1 5 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.679 0.465 18183 2721 1 5 . 1 1 40 40 ARG C C 698 173.789 173.789 175.141 -1.352 18183 2722 1 5 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.441 -1.270 18183 2723 1 5 . 1 1 40 40 ARG CB C 698 33.426 33.426 32.875 0.551 18183 2724 1 5 . 1 1 40 40 ARG H H 698 9.032 9.032 8.187 0.845 18183 2725 1 5 . 1 1 41 41 GLU N N 699 122.502 122.502 121.191 1.311 18183 2726 1 5 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.309 0.682 18183 2727 1 5 . 1 1 41 41 GLU C C 699 175.788 175.788 175.699 0.089 18183 2728 1 5 . 1 1 41 41 GLU CA C 699 54.839 54.839 57.356 -2.518 18183 2729 1 5 . 1 1 41 41 GLU CB C 699 32.923 32.923 30.937 1.986 18183 2730 1 5 . 1 1 41 41 GLU H H 699 8.453 8.453 8.165 0.288 18183 2731 1 5 . 1 1 42 42 ARG N N 700 125.039 125.039 124.879 0.160 18183 2732 1 5 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.761 -0.107 18183 2733 1 5 . 1 1 42 42 ARG H H 700 8.844 8.844 8.006 0.838 18183 2734 1 5 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.156 0.059 18183 2735 1 5 . 1 1 43 43 PRO C C 701 176.485 176.485 176.196 0.289 18183 2736 1 5 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.216 0.814 18183 2737 1 5 . 1 1 43 43 PRO CB C 701 31.450 31.450 32.280 -0.830 18183 2738 1 5 . 1 1 44 44 ALA N N 702 120.718 120.718 126.746 -6.028 18183 2739 1 5 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.437 -0.194 18183 2740 1 5 . 1 1 44 44 ALA C C 702 176.924 176.924 176.834 0.090 18183 2741 1 5 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.664 0.404 18183 2742 1 5 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.524 -1.097 18183 2743 1 5 . 1 1 44 44 ALA H H 702 8.217 8.217 7.808 0.409 18183 2744 1 5 . 1 1 45 45 GLU N N 703 118.107 118.107 118.685 -0.578 18183 2745 1 5 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.096 0.209 18183 2746 1 5 . 1 1 45 45 GLU C C 703 176.308 176.308 177.666 -1.358 18183 2747 1 5 . 1 1 45 45 GLU H H 703 7.638 7.638 8.785 -1.147 18183 2748 1 5 . 1 1 46 46 ALA N N 704 122.161 122.161 121.484 0.677 18183 2749 1 5 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.404 -0.269 18183 2750 1 5 . 1 1 46 46 ALA C C 704 178.439 178.439 177.445 0.994 18183 2751 1 5 . 1 1 46 46 ALA H H 704 8.596 8.596 7.733 0.863 18183 2752 1 5 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.418 0.228 18183 2753 1 5 . 1 1 47 47 GLU C C 705 175.340 175.340 176.231 -0.891 18183 2754 1 5 . 1 1 47 47 GLU H H 705 7.642 7.642 8.228 -0.586 18183 2755 1 5 . 1 1 48 48 ARG N N 706 122.871 122.871 119.423 3.448 18183 2756 1 5 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.382 0.258 18183 2757 1 5 . 1 1 48 48 ARG C C 706 175.645 175.645 175.185 0.460 18183 2758 1 5 . 1 1 48 48 ARG H H 706 8.163 8.163 8.088 0.075 18183 2759 1 5 . 1 1 49 49 PHE N N 707 113.719 113.719 115.910 -2.191 18183 2760 1 5 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.829 0.955 18183 2761 1 5 . 1 1 49 49 PHE C C 707 174.536 174.536 173.724 0.812 18183 2762 1 5 . 1 1 49 49 PHE H H 707 8.370 8.370 7.675 0.695 18183 2763 1 5 . 1 1 50 50 ALA N N 708 119.650 119.650 121.375 -1.725 18183 2764 1 5 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.170 -0.050 18183 2765 1 5 . 1 1 50 50 ALA C C 708 175.964 175.964 175.029 0.935 18183 2766 1 5 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.550 0.463 18183 2767 1 5 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.564 -0.684 18183 2768 1 5 . 1 1 50 50 ALA H H 708 8.868 8.868 8.792 0.076 18183 2769 1 5 . 1 1 51 51 ILE N N 709 121.077 121.077 122.588 -1.511 18183 2770 1 5 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.487 0.160 18183 2771 1 5 . 1 1 51 51 ILE C C 709 175.049 175.049 175.097 -0.048 18183 2772 1 5 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.470 0.029 18183 2773 1 5 . 1 1 51 51 ILE CB C 709 39.996 39.996 38.806 1.190 18183 2774 1 5 . 1 1 51 51 ILE H H 709 9.130 9.130 8.759 0.371 18183 2775 1 5 . 1 1 52 52 SER N N 710 125.122 125.122 123.399 1.723 18183 2776 1 5 . 1 1 52 52 SER HA H 710 5.454 5.454 5.406 0.048 18183 2777 1 5 . 1 1 52 52 SER C C 710 172.024 172.024 173.254 -1.230 18183 2778 1 5 . 1 1 52 52 SER CA C 710 57.614 57.614 57.601 0.013 18183 2779 1 5 . 1 1 52 52 SER CB C 710 64.989 64.989 64.373 0.616 18183 2780 1 5 . 1 1 52 52 SER H H 710 9.204 9.204 8.615 0.589 18183 2781 1 5 . 1 1 53 53 ILE N N 711 121.512 121.512 123.287 -1.775 18183 2782 1 5 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.034 0.105 18183 2783 1 5 . 1 1 53 53 ILE C C 711 173.093 173.093 173.274 -0.181 18183 2784 1 5 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.264 -1.631 18183 2785 1 5 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.346 -0.523 18183 2786 1 5 . 1 1 53 53 ILE H H 711 8.825 8.825 8.480 0.345 18183 2787 1 5 . 1 1 54 54 LYS N N 712 128.814 128.814 125.291 3.523 18183 2788 1 5 . 1 1 54 54 LYS HA H 712 4.755 4.755 4.885 -0.130 18183 2789 1 5 . 1 1 54 54 LYS C C 712 174.850 174.850 174.461 0.389 18183 2790 1 5 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.663 -0.418 18183 2791 1 5 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.318 0.016 18183 2792 1 5 . 1 1 54 54 LYS H H 712 8.863 8.863 8.737 0.126 18183 2793 1 5 . 1 1 55 55 PHE N N 713 130.119 130.119 125.531 4.588 18183 2794 1 5 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.714 0.154 18183 2795 1 5 . 1 1 55 55 PHE C C 713 174.223 174.223 174.168 0.055 18183 2796 1 5 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.844 0.305 18183 2797 1 5 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.351 -1.749 18183 2798 1 5 . 1 1 55 55 PHE H H 713 9.373 9.373 8.070 1.303 18183 2799 1 5 . 1 1 56 56 ASN N N 714 125.766 125.766 121.128 4.638 18183 2800 1 5 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.117 -0.219 18183 2801 1 5 . 1 1 56 56 ASN C C 714 173.945 173.945 173.792 0.153 18183 2802 1 5 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.892 1.113 18183 2803 1 5 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.660 -1.698 18183 2804 1 5 . 1 1 56 56 ASN H H 714 8.364 8.364 7.936 0.428 18183 2805 1 5 . 1 1 57 57 ASP N N 715 117.708 117.708 112.993 4.715 18183 2806 1 5 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.206 0.345 18183 2807 1 5 . 1 1 57 57 ASP C C 715 174.766 174.766 174.942 -0.176 18183 2808 1 5 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.444 -0.399 18183 2809 1 5 . 1 1 57 57 ASP CB C 715 40.577 40.577 39.715 0.862 18183 2810 1 5 . 1 1 57 57 ASP H H 715 8.536 8.536 8.470 0.066 18183 2811 1 5 . 1 1 58 58 GLU N N 716 118.715 118.715 116.358 2.357 18183 2812 1 5 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.625 0.040 18183 2813 1 5 . 1 1 58 58 GLU C C 716 173.786 173.786 174.290 -0.504 18183 2814 1 5 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.136 -0.194 18183 2815 1 5 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.551 -0.388 18183 2816 1 5 . 1 1 58 58 GLU H H 716 7.873 7.873 7.673 0.200 18183 2817 1 5 . 1 1 59 59 VAL N N 717 120.798 120.798 123.786 -2.988 18183 2818 1 5 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.385 -0.012 18183 2819 1 5 . 1 1 59 59 VAL C C 717 175.325 175.325 176.107 -0.782 18183 2820 1 5 . 1 1 59 59 VAL CA C 717 61.939 61.939 62.663 -0.725 18183 2821 1 5 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.877 0.140 18183 2822 1 5 . 1 1 59 59 VAL H H 717 8.473 8.473 8.492 -0.019 18183 2823 1 5 . 1 1 60 60 LYS N N 718 127.136 127.136 127.710 -0.574 18183 2824 1 5 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.506 -0.075 18183 2825 1 5 . 1 1 60 60 LYS C C 718 174.439 174.439 175.363 -0.924 18183 2826 1 5 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.608 -1.799 18183 2827 1 5 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.309 -1.204 18183 2828 1 5 . 1 1 60 60 LYS H H 718 8.903 8.903 8.097 0.806 18183 2829 1 5 . 1 1 61 61 HIS N N 719 119.956 119.956 121.967 -2.011 18183 2830 1 5 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.692 0.531 18183 2831 1 5 . 1 1 61 61 HIS C C 719 175.173 175.173 174.673 0.500 18183 2832 1 5 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.792 0.368 18183 2833 1 5 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.985 2.897 18183 2834 1 5 . 1 1 61 61 HIS H H 719 8.422 8.422 8.614 -0.192 18183 2835 1 5 . 1 1 62 62 ILE N N 720 126.629 126.629 124.807 1.822 18183 2836 1 5 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.034 0.102 18183 2837 1 5 . 1 1 62 62 ILE C C 720 175.372 175.372 175.394 -0.022 18183 2838 1 5 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.881 -1.905 18183 2839 1 5 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.753 2.275 18183 2840 1 5 . 1 1 62 62 ILE H H 720 9.646 9.646 8.631 1.015 18183 2841 1 5 . 1 1 63 63 LYS N N 721 127.276 127.276 126.236 1.040 18183 2842 1 5 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.486 -0.259 18183 2843 1 5 . 1 1 63 63 LYS C C 721 174.877 174.877 175.652 -0.775 18183 2844 1 5 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.869 1.671 18183 2845 1 5 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.649 -0.600 18183 2846 1 5 . 1 1 63 63 LYS H H 721 8.741 8.741 8.297 0.444 18183 2847 1 5 . 1 1 64 64 VAL N N 722 123.343 123.343 122.368 0.975 18183 2848 1 5 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.504 -0.331 18183 2849 1 5 . 1 1 64 64 VAL C C 722 174.522 174.522 174.555 -0.033 18183 2850 1 5 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.350 0.145 18183 2851 1 5 . 1 1 64 64 VAL CB C 722 30.392 30.392 34.117 -3.725 18183 2852 1 5 . 1 1 64 64 VAL H H 722 8.166 8.166 7.965 0.201 18183 2853 1 5 . 1 1 65 65 VAL N N 723 127.934 127.934 125.664 2.270 18183 2854 1 5 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.397 -0.251 18183 2855 1 5 . 1 1 65 65 VAL C C 723 174.212 174.212 174.427 -0.215 18183 2856 1 5 . 1 1 65 65 VAL CA C 723 61.751 61.751 61.075 0.676 18183 2857 1 5 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.661 -1.382 18183 2858 1 5 . 1 1 65 65 VAL H H 723 8.469 8.469 7.868 0.601 18183 2859 1 5 . 1 1 66 66 GLU N N 724 125.632 125.632 127.546 -1.914 18183 2860 1 5 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.337 -0.181 18183 2861 1 5 . 1 1 66 66 GLU C C 724 175.573 175.573 175.537 0.036 18183 2862 1 5 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.038 -0.481 18183 2863 1 5 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.830 0.611 18183 2864 1 5 . 1 1 66 66 GLU H H 724 8.518 8.518 8.776 -0.258 18183 2865 1 5 . 1 1 67 67 LYS N N 725 125.857 125.857 124.581 1.276 18183 2866 1 5 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.622 -0.170 18183 2867 1 5 . 1 1 67 67 LYS C C 725 175.624 175.624 175.384 0.240 18183 2868 1 5 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.023 0.231 18183 2869 1 5 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.601 -0.560 18183 2870 1 5 . 1 1 67 67 LYS H H 725 8.671 8.671 9.051 -0.380 18183 2871 1 5 . 1 1 68 68 ASP N N 726 127.302 127.302 122.068 5.234 18183 2872 1 5 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.453 -0.262 18183 2873 1 5 . 1 1 68 68 ASP C C 726 174.291 174.291 175.555 -1.264 18183 2874 1 5 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.578 0.444 18183 2875 1 5 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.673 -0.282 18183 2876 1 5 . 1 1 68 68 ASP H H 726 9.485 9.485 9.082 0.403 18183 2877 1 5 . 1 1 69 69 ASN N N 727 110.250 110.250 114.978 -4.728 18183 2878 1 5 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.457 -0.234 18183 2879 1 5 . 1 1 69 69 ASN C C 727 173.825 173.825 173.873 -0.048 18183 2880 1 5 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.487 0.185 18183 2881 1 5 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.117 -0.773 18183 2882 1 5 . 1 1 69 69 ASN H H 727 8.344 8.344 8.709 -0.365 18183 2883 1 5 . 1 1 70 70 TRP N N 728 119.098 119.098 115.580 3.518 18183 2884 1 5 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.921 0.395 18183 2885 1 5 . 1 1 70 70 TRP C C 728 174.989 174.989 174.596 0.393 18183 2886 1 5 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.623 0.089 18183 2887 1 5 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.747 0.596 18183 2888 1 5 . 1 1 70 70 TRP H H 728 8.050 8.050 7.799 0.251 18183 2889 1 5 . 1 1 71 71 ILE N N 729 121.706 121.706 121.735 -0.029 18183 2890 1 5 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.450 0.062 18183 2891 1 5 . 1 1 71 71 ILE C C 729 175.265 175.265 173.972 1.293 18183 2892 1 5 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.593 -0.799 18183 2893 1 5 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.337 -0.247 18183 2894 1 5 . 1 1 71 71 ILE H H 729 9.298 9.298 8.995 0.303 18183 2895 1 5 . 1 1 72 72 HIS N N 730 121.063 121.063 124.597 -3.534 18183 2896 1 5 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.211 -0.060 18183 2897 1 5 . 1 1 72 72 HIS C C 730 173.774 173.774 174.669 -0.895 18183 2898 1 5 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.321 1.198 18183 2899 1 5 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.532 0.977 18183 2900 1 5 . 1 1 72 72 HIS H H 730 9.024 9.024 9.019 0.005 18183 2901 1 5 . 1 1 73 73 ILE N N 731 112.363 112.363 117.435 -5.072 18183 2902 1 5 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.263 0.633 18183 2903 1 5 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.615 -0.313 18183 2904 1 5 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.678 0.709 18183 2905 1 5 . 1 1 73 73 ILE H H 731 9.425 9.425 8.741 0.684 18183 2906 1 5 . 1 1 74 74 THR N N 732 117.292 117.292 112.683 4.609 18183 2907 1 5 . 1 1 74 74 THR HA H 732 4.679 4.679 4.505 0.174 18183 2908 1 5 . 1 1 74 74 THR C C 732 173.467 173.467 173.818 -0.351 18183 2909 1 5 . 1 1 74 74 THR CA C 732 59.795 59.795 60.385 -0.590 18183 2910 1 5 . 1 1 74 74 THR CB C 732 69.896 69.896 71.433 -1.537 18183 2911 1 5 . 1 1 74 74 THR H H 732 8.421 8.421 7.578 0.843 18183 2912 1 5 . 1 1 75 75 GLU N N 733 123.689 123.689 120.514 3.175 18183 2913 1 5 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.467 -1.493 18183 2914 1 5 . 1 1 75 75 GLU C C 733 175.819 175.819 176.765 -0.946 18183 2915 1 5 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.369 2.529 18183 2916 1 5 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.570 -0.579 18183 2917 1 5 . 1 1 75 75 GLU H H 733 8.615 8.615 8.776 -0.161 18183 2918 1 5 . 1 1 76 76 ALA N N 734 117.705 117.705 122.024 -4.319 18183 2919 1 5 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.253 -0.341 18183 2920 1 5 . 1 1 76 76 ALA C C 734 177.024 177.024 177.127 -0.103 18183 2921 1 5 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.930 0.332 18183 2922 1 5 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.410 0.388 18183 2923 1 5 . 1 1 76 76 ALA H H 734 7.654 7.654 8.271 -0.617 18183 2924 1 5 . 1 1 77 77 LYS N N 735 119.239 119.239 117.501 1.738 18183 2925 1 5 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.217 -0.126 18183 2926 1 5 . 1 1 77 77 LYS C C 735 172.048 172.048 174.114 -2.066 18183 2927 1 5 . 1 1 77 77 LYS CA C 735 54.373 54.373 56.126 -1.752 18183 2928 1 5 . 1 1 77 77 LYS CB C 735 33.343 33.343 34.897 -1.554 18183 2929 1 5 . 1 1 77 77 LYS H H 735 7.214 7.214 7.882 -0.668 18183 2930 1 5 . 1 1 78 78 LYS N N 736 123.194 123.194 124.047 -0.853 18183 2931 1 5 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.445 0.292 18183 2932 1 5 . 1 1 78 78 LYS C C 736 174.901 174.901 175.706 -0.805 18183 2933 1 5 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.613 -0.910 18183 2934 1 5 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.114 1.979 18183 2935 1 5 . 1 1 78 78 LYS H H 736 7.850 7.850 7.908 -0.058 18183 2936 1 5 . 1 1 79 79 PHE N N 737 117.645 117.645 121.030 -3.385 18183 2937 1 5 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.967 -0.041 18183 2938 1 5 . 1 1 79 79 PHE C C 737 175.500 175.500 175.192 0.308 18183 2939 1 5 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.660 -0.747 18183 2940 1 5 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.570 0.898 18183 2941 1 5 . 1 1 79 79 PHE H H 737 9.079 9.079 8.790 0.289 18183 2942 1 5 . 1 1 80 80 ASP N N 738 119.264 119.264 121.457 -2.193 18183 2943 1 5 . 1 1 80 80 ASP HA H 738 4.717 4.717 4.075 0.642 18183 2944 1 5 . 1 1 80 80 ASP C C 738 176.014 176.014 176.201 -0.187 18183 2945 1 5 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.426 -0.781 18183 2946 1 5 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.509 0.211 18183 2947 1 5 . 1 1 80 80 ASP H H 738 9.332 9.332 8.977 0.355 18183 2948 1 5 . 1 1 81 81 SER N N 739 108.541 108.541 113.334 -4.793 18183 2949 1 5 . 1 1 81 81 SER HA H 739 4.649 4.649 4.800 -0.151 18183 2950 1 5 . 1 1 81 81 SER C C 739 173.719 173.719 174.749 -1.030 18183 2951 1 5 . 1 1 81 81 SER CA C 739 57.148 57.148 57.076 0.072 18183 2952 1 5 . 1 1 81 81 SER CB C 739 66.475 66.475 65.590 0.885 18183 2953 1 5 . 1 1 81 81 SER H H 739 7.379 7.379 7.887 -0.508 18183 2954 1 5 . 1 1 82 82 LEU N N 740 122.926 122.926 125.281 -2.355 18183 2955 1 5 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.844 -0.088 18183 2956 1 5 . 1 1 82 82 LEU C C 740 177.267 177.267 177.920 -0.653 18183 2957 1 5 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.828 0.006 18183 2958 1 5 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.323 -0.740 18183 2959 1 5 . 1 1 82 82 LEU H H 740 8.939 8.939 8.631 0.308 18183 2960 1 5 . 1 1 83 83 LEU N N 741 116.722 116.722 116.682 0.040 18183 2961 1 5 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.970 -0.195 18183 2962 1 5 . 1 1 83 83 LEU C C 741 177.528 177.528 178.024 -0.496 18183 2963 1 5 . 1 1 83 83 LEU CA C 741 58.139 58.139 57.813 0.326 18183 2964 1 5 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.063 0.614 18183 2965 1 5 . 1 1 83 83 LEU H H 741 7.814 7.814 7.798 0.016 18183 2966 1 5 . 1 1 84 84 GLU N N 742 116.747 116.747 120.169 -3.422 18183 2967 1 5 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.066 -0.199 18183 2968 1 5 . 1 1 84 84 GLU C C 742 178.282 178.282 178.941 -0.659 18183 2969 1 5 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.792 -0.653 18183 2970 1 5 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.491 0.942 18183 2971 1 5 . 1 1 84 84 GLU H H 742 7.541 7.541 7.645 -0.104 18183 2972 1 5 . 1 1 85 85 LEU N N 743 122.157 122.157 120.223 1.934 18183 2973 1 5 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.319 -0.356 18183 2974 1 5 . 1 1 85 85 LEU C C 743 177.315 177.315 178.237 -0.922 18183 2975 1 5 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.443 1.296 18183 2976 1 5 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.580 0.135 18183 2977 1 5 . 1 1 85 85 LEU H H 743 7.076 7.076 7.382 -0.306 18183 2978 1 5 . 1 1 86 86 VAL N N 744 119.754 119.754 118.484 1.270 18183 2979 1 5 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.410 -0.620 18183 2980 1 5 . 1 1 86 86 VAL C C 744 177.621 177.621 178.018 -0.397 18183 2981 1 5 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.617 0.227 18183 2982 1 5 . 1 1 86 86 VAL CB C 744 30.965 30.965 31.354 -0.389 18183 2983 1 5 . 1 1 86 86 VAL H H 744 8.116 8.116 7.167 0.949 18183 2984 1 5 . 1 1 87 87 GLU N N 745 116.169 116.169 119.694 -3.525 18183 2985 1 5 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.921 -0.206 18183 2986 1 5 . 1 1 87 87 GLU C C 745 179.560 179.560 179.160 0.400 18183 2987 1 5 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.794 -0.472 18183 2988 1 5 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.506 -0.420 18183 2989 1 5 . 1 1 87 87 GLU H H 745 8.168 8.168 7.806 0.362 18183 2990 1 5 . 1 1 88 88 TYR N N 746 120.022 120.022 120.643 -0.621 18183 2991 1 5 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.184 -0.091 18183 2992 1 5 . 1 1 88 88 TYR C C 746 180.010 180.010 178.036 1.974 18183 2993 1 5 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.738 0.856 18183 2994 1 5 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.703 0.125 18183 2995 1 5 . 1 1 88 88 TYR H H 746 7.774 7.774 7.893 -0.119 18183 2996 1 5 . 1 1 89 89 TYR N N 747 118.480 118.480 117.592 0.888 18183 2997 1 5 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.733 0.322 18183 2998 1 5 . 1 1 89 89 TYR C C 747 175.796 175.796 178.714 -2.918 18183 2999 1 5 . 1 1 89 89 TYR CA C 747 61.137 61.137 60.953 0.185 18183 3000 1 5 . 1 1 89 89 TYR CB C 747 36.930 36.930 38.010 -1.080 18183 3001 1 5 . 1 1 89 89 TYR H H 747 7.782 7.782 7.832 -0.050 18183 3002 1 5 . 1 1 90 90 GLN N N 748 118.696 118.696 117.936 0.760 18183 3003 1 5 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.796 0.593 18183 3004 1 5 . 1 1 90 90 GLN C C 748 177.777 177.777 176.650 1.127 18183 3005 1 5 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.036 -1.319 18183 3006 1 5 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.778 -0.258 18183 3007 1 5 . 1 1 90 90 GLN H H 748 7.838 7.838 8.180 -0.342 18183 3008 1 5 . 1 1 91 91 CYS N N 749 111.118 111.118 111.099 0.019 18183 3009 1 5 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.418 0.184 18183 3010 1 5 . 1 1 91 91 CYS C C 749 172.887 172.887 174.946 -2.059 18183 3011 1 5 . 1 1 91 91 CYS CA C 749 57.434 57.434 57.521 -0.087 18183 3012 1 5 . 1 1 91 91 CYS CB C 749 29.266 29.266 30.032 -0.766 18183 3013 1 5 . 1 1 91 91 CYS H H 749 7.145 7.145 7.320 -0.175 18183 3014 1 5 . 1 1 92 92 HIS N N 750 120.227 120.227 121.489 -1.262 18183 3015 1 5 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.614 -0.282 18183 3016 1 5 . 1 1 92 92 HIS C C 750 171.842 171.842 174.555 -2.713 18183 3017 1 5 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.277 -0.200 18183 3018 1 5 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.149 -1.773 18183 3019 1 5 . 1 1 92 92 HIS H H 750 7.470 7.470 8.051 -0.581 18183 3020 1 5 . 1 1 93 93 SER N N 751 113.120 113.120 119.715 -6.595 18183 3021 1 5 . 1 1 93 93 SER HA H 751 3.782 3.782 4.439 -0.657 18183 3022 1 5 . 1 1 93 93 SER C C 751 176.653 176.653 175.521 1.132 18183 3023 1 5 . 1 1 93 93 SER CA C 751 57.812 57.812 58.902 -1.090 18183 3024 1 5 . 1 1 93 93 SER CB C 751 62.783 62.783 64.100 -1.317 18183 3025 1 5 . 1 1 93 93 SER H H 751 8.404 8.404 8.954 -0.550 18183 3026 1 5 . 1 1 94 94 LEU N N 752 127.293 127.293 124.267 3.026 18183 3027 1 5 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.809 -0.741 18183 3028 1 5 . 1 1 94 94 LEU C C 752 177.524 177.524 177.401 0.123 18183 3029 1 5 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.904 2.492 18183 3030 1 5 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.031 1.456 18183 3031 1 5 . 1 1 94 94 LEU H H 752 8.553 8.553 8.420 0.133 18183 3032 1 5 . 1 1 95 95 LYS N N 753 122.249 122.249 118.813 3.436 18183 3033 1 5 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.415 -0.087 18183 3034 1 5 . 1 1 95 95 LYS C C 753 176.426 176.426 177.587 -1.161 18183 3035 1 5 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.187 -0.633 18183 3036 1 5 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.860 0.314 18183 3037 1 5 . 1 1 95 95 LYS H H 753 8.303 8.303 7.522 0.781 18183 3038 1 5 . 1 1 96 96 GLU N N 754 115.401 115.401 118.395 -2.994 18183 3039 1 5 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.135 -0.050 18183 3040 1 5 . 1 1 96 96 GLU C C 754 176.838 176.838 177.223 -0.385 18183 3041 1 5 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.652 -0.555 18183 3042 1 5 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.698 -0.198 18183 3043 1 5 . 1 1 96 96 GLU H H 754 7.188 7.188 8.533 -1.345 18183 3044 1 5 . 1 1 97 97 SER N N 755 113.852 113.852 112.383 1.469 18183 3045 1 5 . 1 1 97 97 SER HA H 755 4.402 4.402 4.405 -0.003 18183 3046 1 5 . 1 1 97 97 SER C C 755 172.067 172.067 174.137 -2.070 18183 3047 1 5 . 1 1 97 97 SER CA C 755 59.448 59.448 59.978 -0.530 18183 3048 1 5 . 1 1 97 97 SER CB C 755 65.680 65.680 65.087 0.593 18183 3049 1 5 . 1 1 97 97 SER H H 755 7.838 7.838 7.654 0.184 18183 3050 1 5 . 1 1 98 98 PHE N N 756 121.742 121.742 121.544 0.198 18183 3051 1 5 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.728 -0.158 18183 3052 1 5 . 1 1 98 98 PHE C C 756 174.941 174.941 175.625 -0.684 18183 3053 1 5 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.902 -0.154 18183 3054 1 5 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.136 0.145 18183 3055 1 5 . 1 1 98 98 PHE H H 756 8.223 8.223 8.659 -0.436 18183 3056 1 5 . 1 1 99 99 LYS N N 757 122.713 122.713 124.442 -1.729 18183 3057 1 5 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.062 0.009 18183 3058 1 5 . 1 1 99 99 LYS C C 757 176.793 176.793 177.496 -0.703 18183 3059 1 5 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.868 -0.711 18183 3060 1 5 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.194 0.139 18183 3061 1 5 . 1 1 99 99 LYS H H 757 8.388 8.388 8.636 -0.248 18183 3062 1 5 . 1 1 100 100 GLN N N 758 114.972 114.972 115.491 -0.519 18183 3063 1 5 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.233 -0.072 18183 3064 1 5 . 1 1 100 100 GLN C C 758 175.591 175.591 176.639 -1.048 18183 3065 1 5 . 1 1 100 100 GLN CA C 758 56.469 56.469 57.170 -0.701 18183 3066 1 5 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.531 -0.544 18183 3067 1 5 . 1 1 100 100 GLN H H 758 8.662 8.662 8.371 0.291 18183 3068 1 5 . 1 1 101 101 LEU N N 759 124.472 124.472 122.756 1.716 18183 3069 1 5 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.779 -1.100 18183 3070 1 5 . 1 1 101 101 LEU C C 759 173.228 173.228 174.944 -1.716 18183 3071 1 5 . 1 1 101 101 LEU CA C 759 52.325 52.325 53.371 -1.046 18183 3072 1 5 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.532 -1.020 18183 3073 1 5 . 1 1 101 101 LEU H H 759 7.884 7.884 7.605 0.279 18183 3074 1 5 . 1 1 102 102 ASP N N 760 119.321 119.321 122.725 -3.404 18183 3075 1 5 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.788 -0.303 18183 3076 1 5 . 1 1 102 102 ASP C C 760 173.467 173.467 175.690 -2.223 18183 3077 1 5 . 1 1 102 102 ASP CA C 760 52.125 52.125 52.733 -0.607 18183 3078 1 5 . 1 1 102 102 ASP CB C 760 39.028 39.028 39.796 -0.768 18183 3079 1 5 . 1 1 102 102 ASP H H 760 6.594 6.594 8.122 -1.528 18183 3080 1 5 . 1 1 103 103 THR N N 761 117.213 117.213 115.185 2.028 18183 3081 1 5 . 1 1 103 103 THR HA H 761 4.643 4.643 4.176 0.467 18183 3082 1 5 . 1 1 103 103 THR C C 761 172.158 172.158 172.814 -0.656 18183 3083 1 5 . 1 1 103 103 THR CA C 761 60.197 60.197 60.014 0.183 18183 3084 1 5 . 1 1 103 103 THR CB C 761 69.046 69.046 70.333 -1.287 18183 3085 1 5 . 1 1 103 103 THR H H 761 7.637 7.637 7.503 0.134 18183 3086 1 5 . 1 1 104 104 THR N N 762 114.193 114.193 115.088 -0.895 18183 3087 1 5 . 1 1 104 104 THR HA H 762 4.569 4.569 4.502 0.067 18183 3088 1 5 . 1 1 104 104 THR C C 762 175.698 175.698 173.659 2.039 18183 3089 1 5 . 1 1 104 104 THR CA C 762 60.808 60.808 59.657 1.151 18183 3090 1 5 . 1 1 104 104 THR CB C 762 70.636 70.636 72.107 -1.471 18183 3091 1 5 . 1 1 104 104 THR H H 762 7.284 7.284 7.849 -0.565 18183 3092 1 5 . 1 1 105 105 LEU N N 763 117.473 117.473 121.525 -4.052 18183 3093 1 5 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.788 -0.325 18183 3094 1 5 . 1 1 105 105 LEU C C 763 174.348 174.348 176.421 -2.073 18183 3095 1 5 . 1 1 105 105 LEU CA C 763 53.982 53.982 54.675 -0.693 18183 3096 1 5 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.675 -3.992 18183 3097 1 5 . 1 1 105 105 LEU H H 763 8.093 8.093 8.077 0.016 18183 3098 1 5 . 1 1 106 106 LYS N N 764 127.491 127.491 123.727 3.764 18183 3099 1 5 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.115 -0.157 18183 3100 1 5 . 1 1 106 106 LYS C C 764 176.734 176.734 176.652 0.082 18183 3101 1 5 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.068 2.628 18183 3102 1 5 . 1 1 106 106 LYS CB C 764 35.167 35.167 34.070 1.097 18183 3103 1 5 . 1 1 106 106 LYS H H 764 7.118 7.118 7.823 -0.705 18183 3104 1 5 . 1 1 107 107 TYR N N 765 115.804 115.804 117.373 -1.569 18183 3105 1 5 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.835 0.629 18183 3106 1 5 . 1 1 107 107 TYR C C 765 172.048 172.048 172.642 -0.594 18183 3107 1 5 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.032 -2.513 18183 3108 1 5 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.857 1.519 18183 3109 1 5 . 1 1 107 107 TYR H H 765 7.848 7.848 7.700 0.148 18183 3110 1 5 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.511 -0.885 18183 3111 1 5 . 1 1 108 108 PRO C C 766 180.469 180.469 176.724 3.745 18183 3112 1 5 . 1 1 109 109 TYR N N 767 122.791 122.791 115.955 6.836 18183 3113 1 5 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.422 -0.638 18183 3114 1 5 . 1 1 109 109 TYR C C 767 174.575 174.575 177.267 -2.692 18183 3115 1 5 . 1 1 109 109 TYR CA C 767 60.986 60.986 58.324 2.662 18183 3116 1 5 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.734 -0.109 18183 3117 1 5 . 1 1 109 109 TYR H H 767 8.306 8.306 8.392 -0.086 18183 3118 1 5 . 1 1 110 110 LYS N N 768 118.817 118.817 121.631 -2.814 18183 3119 1 5 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.753 0.150 18183 3120 1 5 . 1 1 110 110 LYS C C 768 176.259 176.259 176.524 -0.265 18183 3121 1 5 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.267 -1.672 18183 3122 1 5 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.352 0.253 18183 3123 1 5 . 1 1 110 110 LYS H H 768 6.785 6.785 8.141 -1.356 18183 3124 1 5 . 1 1 111 111 SER N N 769 114.539 114.539 113.652 0.887 18183 3125 1 5 . 1 1 111 111 SER HA H 769 4.317 4.317 4.614 -0.297 18183 3126 1 5 . 1 1 111 111 SER C C 769 174.092 174.092 173.301 0.791 18183 3127 1 5 . 1 1 111 111 SER CA C 769 58.647 58.647 58.378 0.269 18183 3128 1 5 . 1 1 111 111 SER CB C 769 63.883 63.883 63.606 0.277 18183 3129 1 5 . 1 1 111 111 SER H H 769 7.765 7.765 8.086 -0.321 18183 3130 1 5 . 1 1 112 112 ARG N N 770 122.458 122.458 124.594 -2.136 18183 3131 1 5 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.576 -0.254 18183 3132 1 5 . 1 1 112 112 ARG C C 770 175.130 175.130 175.611 -0.481 18183 3133 1 5 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.912 -0.248 18183 3134 1 5 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.573 -0.693 18183 3135 1 5 . 1 1 112 112 ARG H H 770 8.082 8.082 8.556 -0.474 18183 3136 1 6 . 1 1 2 2 ARG N N 660 123.546 123.546 122.465 1.081 18183 3137 1 6 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.620 -0.044 18183 3138 1 6 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.454 -0.604 18183 3139 1 6 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.433 -0.086 18183 3140 1 6 . 1 1 2 2 ARG H H 660 8.258 8.258 8.427 -0.169 18183 3141 1 6 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.529 -0.173 18183 3142 1 6 . 1 1 4 4 PRO C C 662 177.047 177.047 176.628 0.419 18183 3143 1 6 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.774 0.447 18183 3144 1 6 . 1 1 4 4 PRO CB C 662 31.975 31.975 31.103 0.872 18183 3145 1 6 . 1 1 5 5 SER N N 663 116.108 116.108 119.893 -3.785 18183 3146 1 6 . 1 1 5 5 SER HA H 663 4.335 4.335 4.561 -0.226 18183 3147 1 6 . 1 1 5 5 SER C C 663 174.708 174.708 174.192 0.516 18183 3148 1 6 . 1 1 5 5 SER CA C 663 58.639 58.639 58.524 0.115 18183 3149 1 6 . 1 1 5 5 SER CB C 663 63.849 63.849 64.632 -0.783 18183 3150 1 6 . 1 1 5 5 SER H H 663 8.385 8.385 8.322 0.063 18183 3151 1 6 . 1 1 6 6 ARG N N 664 122.132 122.132 122.297 -0.165 18183 3152 1 6 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.586 -0.267 18183 3153 1 6 . 1 1 6 6 ARG C C 664 175.951 175.951 174.939 1.012 18183 3154 1 6 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.702 -0.770 18183 3155 1 6 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.558 0.274 18183 3156 1 6 . 1 1 6 6 ARG H H 664 8.347 8.347 8.006 0.341 18183 3157 1 6 . 1 1 7 7 GLU N N 665 122.268 122.268 121.835 0.433 18183 3158 1 6 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.482 -0.220 18183 3159 1 6 . 1 1 7 7 GLU C C 665 175.809 175.809 174.833 0.976 18183 3160 1 6 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.222 -0.052 18183 3161 1 6 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.692 -0.784 18183 3162 1 6 . 1 1 7 7 GLU H H 665 8.336 8.336 8.550 -0.214 18183 3163 1 6 . 1 1 8 8 ILE N N 666 123.984 123.984 119.479 4.505 18183 3164 1 6 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.379 -0.599 18183 3165 1 6 . 1 1 8 8 ILE C C 666 174.325 174.325 175.366 -1.041 18183 3166 1 6 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.528 0.281 18183 3167 1 6 . 1 1 8 8 ILE CB C 666 39.233 39.233 39.538 -0.305 18183 3168 1 6 . 1 1 8 8 ILE H H 666 7.920 7.920 7.819 0.101 18183 3169 1 6 . 1 1 9 9 ASP N N 667 124.228 124.228 125.010 -0.782 18183 3170 1 6 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.852 -0.284 18183 3171 1 6 . 1 1 9 9 ASP C C 667 177.001 177.001 175.856 1.145 18183 3172 1 6 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.247 -1.256 18183 3173 1 6 . 1 1 9 9 ASP CB C 667 40.310 40.310 40.021 0.289 18183 3174 1 6 . 1 1 9 9 ASP H H 667 8.072 8.072 8.612 -0.540 18183 3175 1 6 . 1 1 10 10 TYR N N 668 125.329 125.329 119.752 5.577 18183 3176 1 6 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.302 -0.174 18183 3177 1 6 . 1 1 10 10 TYR C C 668 175.901 175.901 175.491 0.410 18183 3178 1 6 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.434 0.123 18183 3179 1 6 . 1 1 10 10 TYR CB C 668 36.166 36.166 38.135 -1.969 18183 3180 1 6 . 1 1 10 10 TYR H H 668 8.493 8.493 8.073 0.420 18183 3181 1 6 . 1 1 11 11 THR N N 669 108.533 108.533 107.733 0.800 18183 3182 1 6 . 1 1 11 11 THR HA H 669 4.082 4.082 3.991 0.091 18183 3183 1 6 . 1 1 11 11 THR C C 669 175.170 175.170 174.807 0.363 18183 3184 1 6 . 1 1 11 11 THR CA C 669 64.701 64.701 61.844 2.857 18183 3185 1 6 . 1 1 11 11 THR CB C 669 68.924 68.924 67.974 0.950 18183 3186 1 6 . 1 1 11 11 THR H H 669 7.948 7.948 7.713 0.235 18183 3187 1 6 . 1 1 12 12 ALA N N 670 121.252 121.252 123.643 -2.391 18183 3188 1 6 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.259 -0.236 18183 3189 1 6 . 1 1 12 12 ALA C C 670 177.747 177.747 177.026 0.721 18183 3190 1 6 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.249 0.250 18183 3191 1 6 . 1 1 12 12 ALA CB C 670 19.227 19.227 19.578 -0.351 18183 3192 1 6 . 1 1 12 12 ALA H H 670 7.366 7.366 7.278 0.088 18183 3193 1 6 . 1 1 13 13 TYR N N 671 117.895 117.895 118.332 -0.437 18183 3194 1 6 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.097 0.155 18183 3195 1 6 . 1 1 13 13 TYR C C 671 176.545 176.545 175.340 1.205 18183 3196 1 6 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.927 0.545 18183 3197 1 6 . 1 1 13 13 TYR CB C 671 36.559 36.559 36.912 -0.353 18183 3198 1 6 . 1 1 13 13 TYR H H 671 7.490 7.490 7.162 0.328 18183 3199 1 6 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.309 -0.009 18183 3200 1 6 . 1 1 14 14 PRO C C 672 173.638 173.638 176.432 -2.794 18183 3201 1 6 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.423 -0.672 18183 3202 1 6 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.056 -0.812 18183 3203 1 6 . 1 1 15 15 TRP N N 673 109.940 109.940 114.416 -4.476 18183 3204 1 6 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.790 -0.084 18183 3205 1 6 . 1 1 15 15 TRP C C 673 175.471 175.471 176.891 -1.420 18183 3206 1 6 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.627 -2.777 18183 3207 1 6 . 1 1 15 15 TRP CB C 673 32.436 32.436 29.049 3.387 18183 3208 1 6 . 1 1 15 15 TRP H H 673 6.184 6.184 7.350 -1.166 18183 3209 1 6 . 1 1 16 16 PHE N N 674 123.228 123.228 120.308 2.920 18183 3210 1 6 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.925 0.176 18183 3211 1 6 . 1 1 16 16 PHE C C 674 174.684 174.684 175.409 -0.725 18183 3212 1 6 . 1 1 16 16 PHE CA C 674 59.566 59.566 59.115 0.451 18183 3213 1 6 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.494 -0.526 18183 3214 1 6 . 1 1 16 16 PHE H H 674 7.585 7.585 7.814 -0.229 18183 3215 1 6 . 1 1 17 17 ALA N N 675 130.573 130.573 125.224 5.349 18183 3216 1 6 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.873 -0.031 18183 3217 1 6 . 1 1 17 17 ALA C C 675 177.161 177.161 176.948 0.213 18183 3218 1 6 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.705 -0.537 18183 3219 1 6 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.136 0.832 18183 3220 1 6 . 1 1 17 17 ALA H H 675 9.004 9.004 7.863 1.141 18183 3221 1 6 . 1 1 18 18 GLY C C 676 174.000 174.000 172.964 1.036 18183 3222 1 6 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.482 2.008 18183 3223 1 6 . 1 1 19 19 ASN N N 677 124.182 124.182 120.165 4.017 18183 3224 1 6 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.066 -0.060 18183 3225 1 6 . 1 1 19 19 ASN C C 677 174.916 174.916 175.208 -0.292 18183 3226 1 6 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.984 -0.379 18183 3227 1 6 . 1 1 19 19 ASN CB C 677 37.065 37.065 38.034 -0.969 18183 3228 1 6 . 1 1 19 19 ASN H H 677 8.657 8.657 8.551 0.106 18183 3229 1 6 . 1 1 20 20 MET N N 678 122.806 122.806 121.725 1.081 18183 3230 1 6 . 1 1 20 20 MET HA H 678 4.173 4.173 4.455 -0.282 18183 3231 1 6 . 1 1 20 20 MET C C 678 175.317 175.317 175.651 -0.334 18183 3232 1 6 . 1 1 20 20 MET CA C 678 56.274 56.274 55.187 1.087 18183 3233 1 6 . 1 1 20 20 MET CB C 678 35.581 35.581 34.686 0.895 18183 3234 1 6 . 1 1 20 20 MET H H 678 7.158 7.158 7.732 -0.574 18183 3235 1 6 . 1 1 21 21 GLU N N 679 124.655 124.655 119.280 5.375 18183 3236 1 6 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.558 -0.357 18183 3237 1 6 . 1 1 21 21 GLU C C 679 178.105 178.105 177.282 0.823 18183 3238 1 6 . 1 1 21 21 GLU CA C 679 56.016 56.016 54.796 1.220 18183 3239 1 6 . 1 1 21 21 GLU CB C 679 30.890 30.890 31.582 -0.692 18183 3240 1 6 . 1 1 21 21 GLU H H 679 8.687 8.687 8.392 0.295 18183 3241 1 6 . 1 1 22 22 ARG N N 680 125.764 125.764 122.644 3.120 18183 3242 1 6 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.860 -0.580 18183 3243 1 6 . 1 1 22 22 ARG C C 680 177.559 177.559 179.068 -1.509 18183 3244 1 6 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.546 0.508 18183 3245 1 6 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.255 -0.387 18183 3246 1 6 . 1 1 22 22 ARG H H 680 9.191 9.191 8.684 0.507 18183 3247 1 6 . 1 1 23 23 GLN N N 681 118.109 118.109 119.020 -0.911 18183 3248 1 6 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.021 -0.028 18183 3249 1 6 . 1 1 23 23 GLN C C 681 178.252 178.252 178.178 0.074 18183 3250 1 6 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.380 0.219 18183 3251 1 6 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.877 -0.112 18183 3252 1 6 . 1 1 23 23 GLN H H 681 9.085 9.085 8.587 0.498 18183 3253 1 6 . 1 1 24 24 GLN N N 682 118.128 118.128 117.055 1.073 18183 3254 1 6 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.046 0.005 18183 3255 1 6 . 1 1 24 24 GLN C C 682 178.328 178.328 178.544 -0.216 18183 3256 1 6 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.185 -0.420 18183 3257 1 6 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.404 -0.172 18183 3258 1 6 . 1 1 24 24 GLN H H 682 7.287 7.287 8.489 -1.202 18183 3259 1 6 . 1 1 25 25 THR N N 683 116.436 116.436 116.091 0.345 18183 3260 1 6 . 1 1 25 25 THR HA H 683 3.641 3.641 3.940 -0.299 18183 3261 1 6 . 1 1 25 25 THR CA C 683 67.504 67.504 67.515 -0.011 18183 3262 1 6 . 1 1 25 25 THR CB C 683 67.667 67.667 68.326 -0.659 18183 3263 1 6 . 1 1 25 25 THR H H 683 7.813 7.813 7.808 0.005 18183 3264 1 6 . 1 1 26 26 ASP N N 684 123.084 123.084 121.175 1.909 18183 3265 1 6 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.498 -0.271 18183 3266 1 6 . 1 1 26 26 ASP C C 684 178.426 178.426 177.389 1.037 18183 3267 1 6 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.317 0.703 18183 3268 1 6 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.102 -1.276 18183 3269 1 6 . 1 1 26 26 ASP H H 684 8.384 8.384 7.620 0.764 18183 3270 1 6 . 1 1 27 27 ASN N N 685 116.068 116.068 116.744 -0.676 18183 3271 1 6 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.609 -0.290 18183 3272 1 6 . 1 1 27 27 ASN C C 685 177.207 177.207 177.382 -0.175 18183 3273 1 6 . 1 1 27 27 ASN CA C 685 55.747 55.747 54.774 0.973 18183 3274 1 6 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.636 -0.439 18183 3275 1 6 . 1 1 27 27 ASN H H 685 7.667 7.667 7.899 -0.232 18183 3276 1 6 . 1 1 28 28 LEU N N 686 120.906 120.906 120.892 0.014 18183 3277 1 6 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.212 -0.043 18183 3278 1 6 . 1 1 28 28 LEU C C 686 179.394 179.394 177.886 1.508 18183 3279 1 6 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.688 0.133 18183 3280 1 6 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.873 0.820 18183 3281 1 6 . 1 1 28 28 LEU H H 686 7.993 7.993 7.809 0.184 18183 3282 1 6 . 1 1 29 29 LEU N N 687 114.941 114.941 113.301 1.640 18183 3283 1 6 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.762 -0.711 18183 3284 1 6 . 1 1 29 29 LEU C C 687 178.742 178.742 177.751 0.991 18183 3285 1 6 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.410 2.027 18183 3286 1 6 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.359 2.483 18183 3287 1 6 . 1 1 29 29 LEU H H 687 8.166 8.166 7.623 0.543 18183 3288 1 6 . 1 1 30 30 LYS N N 688 118.446 118.446 120.085 -1.639 18183 3289 1 6 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.165 -0.452 18183 3290 1 6 . 1 1 30 30 LYS C C 688 177.260 177.260 177.390 -0.130 18183 3291 1 6 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.701 1.777 18183 3292 1 6 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.264 -0.180 18183 3293 1 6 . 1 1 30 30 LYS H H 688 7.635 7.635 7.597 0.038 18183 3294 1 6 . 1 1 31 31 SER N N 689 111.039 111.039 113.722 -2.683 18183 3295 1 6 . 1 1 31 31 SER HA H 689 4.417 4.417 4.648 -0.231 18183 3296 1 6 . 1 1 31 31 SER C C 689 174.495 174.495 173.240 1.255 18183 3297 1 6 . 1 1 31 31 SER CA C 689 58.387 58.387 57.760 0.627 18183 3298 1 6 . 1 1 31 31 SER CB C 689 63.281 63.281 63.341 -0.060 18183 3299 1 6 . 1 1 31 31 SER H H 689 7.709 7.709 8.204 -0.495 18183 3300 1 6 . 1 1 32 32 HIS N N 690 120.253 120.253 121.426 -1.173 18183 3301 1 6 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.777 -0.201 18183 3302 1 6 . 1 1 32 32 HIS C C 690 173.913 173.913 174.021 -0.108 18183 3303 1 6 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.432 -0.356 18183 3304 1 6 . 1 1 32 32 HIS CB C 690 31.853 31.853 31.986 -0.133 18183 3305 1 6 . 1 1 32 32 HIS H H 690 7.647 7.647 7.581 0.066 18183 3306 1 6 . 1 1 33 33 ALA N N 691 120.403 120.403 121.832 -1.429 18183 3307 1 6 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.649 -0.371 18183 3308 1 6 . 1 1 33 33 ALA C C 691 179.503 179.503 175.923 3.580 18183 3309 1 6 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.130 0.588 18183 3310 1 6 . 1 1 33 33 ALA CB C 691 20.269 20.269 21.353 -1.084 18183 3311 1 6 . 1 1 33 33 ALA H H 691 8.452 8.452 8.541 -0.089 18183 3312 1 6 . 1 1 34 34 SER N N 692 117.464 117.464 116.471 0.993 18183 3313 1 6 . 1 1 34 34 SER HA H 692 4.047 4.047 4.320 -0.273 18183 3314 1 6 . 1 1 34 34 SER C C 692 175.307 175.307 175.656 -0.349 18183 3315 1 6 . 1 1 34 34 SER CA C 692 60.434 60.434 60.178 0.255 18183 3316 1 6 . 1 1 34 34 SER CB C 692 63.132 63.132 62.768 0.364 18183 3317 1 6 . 1 1 34 34 SER H H 692 9.002 9.002 8.747 0.255 18183 3318 1 6 . 1 1 35 35 GLY N N 693 113.364 113.364 114.322 -0.958 18183 3319 1 6 . 1 1 35 35 GLY C C 693 174.739 174.739 173.655 1.084 18183 3320 1 6 . 1 1 35 35 GLY CA C 693 44.850 44.850 44.893 -0.043 18183 3321 1 6 . 1 1 35 35 GLY H H 693 9.873 9.873 8.901 0.972 18183 3322 1 6 . 1 1 36 36 THR N N 694 120.932 120.932 118.827 2.105 18183 3323 1 6 . 1 1 36 36 THR HA H 694 5.923 5.923 5.422 0.501 18183 3324 1 6 . 1 1 36 36 THR C C 694 173.253 173.253 173.601 -0.348 18183 3325 1 6 . 1 1 36 36 THR CA C 694 63.429 63.429 62.799 0.630 18183 3326 1 6 . 1 1 36 36 THR CB C 694 68.091 68.091 69.335 -1.244 18183 3327 1 6 . 1 1 36 36 THR H H 694 8.240 8.240 7.522 0.718 18183 3328 1 6 . 1 1 37 37 TYR N N 695 123.567 123.567 124.582 -1.015 18183 3329 1 6 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.518 0.458 18183 3330 1 6 . 1 1 37 37 TYR C C 695 171.737 171.737 173.263 -1.526 18183 3331 1 6 . 1 1 37 37 TYR CA C 695 55.235 55.235 55.038 0.197 18183 3332 1 6 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.236 3.053 18183 3333 1 6 . 1 1 37 37 TYR H H 695 8.765 8.765 8.484 0.281 18183 3334 1 6 . 1 1 38 38 LEU N N 696 115.294 115.294 116.691 -1.397 18183 3335 1 6 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.298 -0.195 18183 3336 1 6 . 1 1 38 38 LEU C C 696 174.368 174.368 174.639 -0.271 18183 3337 1 6 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.407 -0.575 18183 3338 1 6 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.171 0.123 18183 3339 1 6 . 1 1 38 38 LEU H H 696 9.008 9.008 9.043 -0.035 18183 3340 1 6 . 1 1 39 39 ILE N N 697 122.087 122.087 119.903 2.184 18183 3341 1 6 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.869 0.424 18183 3342 1 6 . 1 1 39 39 ILE C C 697 173.625 173.625 174.804 -1.179 18183 3343 1 6 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.433 -0.627 18183 3344 1 6 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.722 -1.956 18183 3345 1 6 . 1 1 39 39 ILE H H 697 9.276 9.276 8.681 0.595 18183 3346 1 6 . 1 1 40 40 ARG N N 698 123.307 123.307 125.066 -1.759 18183 3347 1 6 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.294 0.850 18183 3348 1 6 . 1 1 40 40 ARG C C 698 173.789 173.789 174.339 -0.550 18183 3349 1 6 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.697 -1.526 18183 3350 1 6 . 1 1 40 40 ARG CB C 698 33.426 33.426 32.960 0.466 18183 3351 1 6 . 1 1 40 40 ARG H H 698 9.032 9.032 8.656 0.376 18183 3352 1 6 . 1 1 41 41 GLU N N 699 122.502 122.502 119.528 2.974 18183 3353 1 6 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.710 0.281 18183 3354 1 6 . 1 1 41 41 GLU C C 699 175.788 175.788 174.440 1.348 18183 3355 1 6 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.146 -0.307 18183 3356 1 6 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.865 -0.942 18183 3357 1 6 . 1 1 41 41 GLU H H 699 8.453 8.453 7.987 0.466 18183 3358 1 6 . 1 1 42 42 ARG N N 700 125.039 125.039 122.502 2.537 18183 3359 1 6 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.750 -0.096 18183 3360 1 6 . 1 1 42 42 ARG H H 700 8.844 8.844 8.476 0.368 18183 3361 1 6 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.403 -0.188 18183 3362 1 6 . 1 1 43 43 PRO C C 701 176.485 176.485 175.679 0.806 18183 3363 1 6 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.502 0.528 18183 3364 1 6 . 1 1 43 43 PRO CB C 701 31.450 31.450 32.300 -0.850 18183 3365 1 6 . 1 1 44 44 ALA N N 702 120.718 120.718 126.392 -5.674 18183 3366 1 6 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.490 -0.247 18183 3367 1 6 . 1 1 44 44 ALA C C 702 176.924 176.924 176.491 0.433 18183 3368 1 6 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.784 0.284 18183 3369 1 6 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.422 -0.995 18183 3370 1 6 . 1 1 44 44 ALA H H 702 8.217 8.217 8.262 -0.045 18183 3371 1 6 . 1 1 45 45 GLU N N 703 118.107 118.107 120.655 -2.548 18183 3372 1 6 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.278 0.027 18183 3373 1 6 . 1 1 45 45 GLU C C 703 176.308 176.308 177.278 -0.970 18183 3374 1 6 . 1 1 45 45 GLU H H 703 7.638 7.638 8.927 -1.289 18183 3375 1 6 . 1 1 46 46 ALA N N 704 122.161 122.161 121.539 0.622 18183 3376 1 6 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.539 -0.404 18183 3377 1 6 . 1 1 46 46 ALA C C 704 178.439 178.439 175.484 2.955 18183 3378 1 6 . 1 1 46 46 ALA H H 704 8.596 8.596 8.005 0.591 18183 3379 1 6 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.949 -0.303 18183 3380 1 6 . 1 1 47 47 GLU C C 705 175.340 175.340 176.276 -0.936 18183 3381 1 6 . 1 1 47 47 GLU H H 705 7.642 7.642 8.300 -0.658 18183 3382 1 6 . 1 1 48 48 ARG N N 706 122.871 122.871 121.405 1.466 18183 3383 1 6 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.614 0.026 18183 3384 1 6 . 1 1 48 48 ARG C C 706 175.645 175.645 175.543 0.102 18183 3385 1 6 . 1 1 48 48 ARG H H 706 8.163 8.163 8.417 -0.254 18183 3386 1 6 . 1 1 49 49 PHE N N 707 113.719 113.719 116.028 -2.309 18183 3387 1 6 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.871 0.913 18183 3388 1 6 . 1 1 49 49 PHE C C 707 174.536 174.536 174.118 0.418 18183 3389 1 6 . 1 1 49 49 PHE H H 707 8.370 8.370 7.925 0.445 18183 3390 1 6 . 1 1 50 50 ALA N N 708 119.650 119.650 124.328 -4.678 18183 3391 1 6 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.090 0.030 18183 3392 1 6 . 1 1 50 50 ALA C C 708 175.964 175.964 175.170 0.794 18183 3393 1 6 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.843 0.170 18183 3394 1 6 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.589 -0.709 18183 3395 1 6 . 1 1 50 50 ALA H H 708 8.868 8.868 8.154 0.714 18183 3396 1 6 . 1 1 51 51 ILE N N 709 121.077 121.077 123.533 -2.456 18183 3397 1 6 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.746 -0.099 18183 3398 1 6 . 1 1 51 51 ILE C C 709 175.049 175.049 174.980 0.069 18183 3399 1 6 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.399 0.100 18183 3400 1 6 . 1 1 51 51 ILE CB C 709 39.996 39.996 39.855 0.141 18183 3401 1 6 . 1 1 51 51 ILE H H 709 9.130 9.130 8.321 0.809 18183 3402 1 6 . 1 1 52 52 SER N N 710 125.122 125.122 122.658 2.464 18183 3403 1 6 . 1 1 52 52 SER HA H 710 5.454 5.454 5.329 0.125 18183 3404 1 6 . 1 1 52 52 SER C C 710 172.024 172.024 172.955 -0.931 18183 3405 1 6 . 1 1 52 52 SER CA C 710 57.614 57.614 56.448 1.166 18183 3406 1 6 . 1 1 52 52 SER CB C 710 64.989 64.989 64.691 0.298 18183 3407 1 6 . 1 1 52 52 SER H H 710 9.204 9.204 8.785 0.419 18183 3408 1 6 . 1 1 53 53 ILE N N 711 121.512 121.512 124.358 -2.846 18183 3409 1 6 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.128 0.011 18183 3410 1 6 . 1 1 53 53 ILE C C 711 173.093 173.093 173.346 -0.253 18183 3411 1 6 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.108 -1.475 18183 3412 1 6 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.267 -0.444 18183 3413 1 6 . 1 1 53 53 ILE H H 711 8.825 8.825 8.583 0.242 18183 3414 1 6 . 1 1 54 54 LYS N N 712 128.814 128.814 125.427 3.387 18183 3415 1 6 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.066 -0.311 18183 3416 1 6 . 1 1 54 54 LYS C C 712 174.850 174.850 174.678 0.172 18183 3417 1 6 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.633 -0.388 18183 3418 1 6 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.456 -0.122 18183 3419 1 6 . 1 1 54 54 LYS H H 712 8.863 8.863 8.589 0.274 18183 3420 1 6 . 1 1 55 55 PHE N N 713 130.119 130.119 124.670 5.449 18183 3421 1 6 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.684 0.184 18183 3422 1 6 . 1 1 55 55 PHE C C 713 174.223 174.223 174.214 0.009 18183 3423 1 6 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.444 0.705 18183 3424 1 6 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.429 -1.827 18183 3425 1 6 . 1 1 55 55 PHE H H 713 9.373 9.373 8.194 1.179 18183 3426 1 6 . 1 1 56 56 ASN N N 714 125.766 125.766 122.135 3.631 18183 3427 1 6 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.101 -0.203 18183 3428 1 6 . 1 1 56 56 ASN C C 714 173.945 173.945 174.244 -0.299 18183 3429 1 6 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.069 0.937 18183 3430 1 6 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.668 -1.706 18183 3431 1 6 . 1 1 56 56 ASN H H 714 8.364 8.364 8.420 -0.056 18183 3432 1 6 . 1 1 57 57 ASP N N 715 117.708 117.708 113.541 4.167 18183 3433 1 6 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.350 0.201 18183 3434 1 6 . 1 1 57 57 ASP C C 715 174.766 174.766 175.312 -0.546 18183 3435 1 6 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.605 -0.560 18183 3436 1 6 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.206 0.371 18183 3437 1 6 . 1 1 57 57 ASP H H 715 8.536 8.536 8.778 -0.242 18183 3438 1 6 . 1 1 58 58 GLU N N 716 118.715 118.715 115.362 3.353 18183 3439 1 6 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.514 0.151 18183 3440 1 6 . 1 1 58 58 GLU C C 716 173.786 173.786 174.479 -0.693 18183 3441 1 6 . 1 1 58 58 GLU CA C 716 54.942 54.942 54.688 0.254 18183 3442 1 6 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.013 0.150 18183 3443 1 6 . 1 1 58 58 GLU H H 716 7.873 7.873 7.515 0.358 18183 3444 1 6 . 1 1 59 59 VAL N N 717 120.798 120.798 119.893 0.905 18183 3445 1 6 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.560 -0.187 18183 3446 1 6 . 1 1 59 59 VAL C C 717 175.325 175.325 175.597 -0.272 18183 3447 1 6 . 1 1 59 59 VAL CA C 717 61.939 61.939 60.828 1.111 18183 3448 1 6 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.762 0.255 18183 3449 1 6 . 1 1 59 59 VAL H H 717 8.473 8.473 8.450 0.023 18183 3450 1 6 . 1 1 60 60 LYS N N 718 127.136 127.136 126.780 0.356 18183 3451 1 6 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.486 -0.055 18183 3452 1 6 . 1 1 60 60 LYS C C 718 174.439 174.439 174.802 -0.363 18183 3453 1 6 . 1 1 60 60 LYS CA C 718 52.809 52.809 53.863 -1.054 18183 3454 1 6 . 1 1 60 60 LYS CB C 718 33.105 33.105 35.117 -2.012 18183 3455 1 6 . 1 1 60 60 LYS H H 718 8.903 8.903 8.483 0.420 18183 3456 1 6 . 1 1 61 61 HIS N N 719 119.956 119.956 120.564 -0.608 18183 3457 1 6 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.866 0.357 18183 3458 1 6 . 1 1 61 61 HIS C C 719 175.173 175.173 174.651 0.522 18183 3459 1 6 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.190 -0.030 18183 3460 1 6 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.919 2.963 18183 3461 1 6 . 1 1 61 61 HIS H H 719 8.422 8.422 8.551 -0.129 18183 3462 1 6 . 1 1 62 62 ILE N N 720 126.629 126.629 123.935 2.694 18183 3463 1 6 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.064 0.072 18183 3464 1 6 . 1 1 62 62 ILE C C 720 175.372 175.372 175.432 -0.060 18183 3465 1 6 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.838 -1.862 18183 3466 1 6 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.721 2.307 18183 3467 1 6 . 1 1 62 62 ILE H H 720 9.646 9.646 8.868 0.778 18183 3468 1 6 . 1 1 63 63 LYS N N 721 127.276 127.276 126.011 1.265 18183 3469 1 6 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.578 -0.351 18183 3470 1 6 . 1 1 63 63 LYS C C 721 174.877 174.877 175.705 -0.828 18183 3471 1 6 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.824 1.716 18183 3472 1 6 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.735 -0.686 18183 3473 1 6 . 1 1 63 63 LYS H H 721 8.741 8.741 8.665 0.076 18183 3474 1 6 . 1 1 64 64 VAL N N 722 123.343 123.343 125.831 -2.488 18183 3475 1 6 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.216 -0.043 18183 3476 1 6 . 1 1 64 64 VAL C C 722 174.522 174.522 174.495 0.027 18183 3477 1 6 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.530 0.965 18183 3478 1 6 . 1 1 64 64 VAL CB C 722 30.392 30.392 32.649 -2.257 18183 3479 1 6 . 1 1 64 64 VAL H H 722 8.166 8.166 8.084 0.082 18183 3480 1 6 . 1 1 65 65 VAL N N 723 127.934 127.934 126.716 1.218 18183 3481 1 6 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.644 -0.498 18183 3482 1 6 . 1 1 65 65 VAL C C 723 174.212 174.212 174.512 -0.300 18183 3483 1 6 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.775 0.976 18183 3484 1 6 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.174 -0.895 18183 3485 1 6 . 1 1 65 65 VAL H H 723 8.469 8.469 8.190 0.279 18183 3486 1 6 . 1 1 66 66 GLU N N 724 125.632 125.632 128.795 -3.163 18183 3487 1 6 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.232 -0.076 18183 3488 1 6 . 1 1 66 66 GLU C C 724 175.573 175.573 175.427 0.146 18183 3489 1 6 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.122 -0.565 18183 3490 1 6 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.418 1.023 18183 3491 1 6 . 1 1 66 66 GLU H H 724 8.518 8.518 8.679 -0.161 18183 3492 1 6 . 1 1 67 67 LYS N N 725 125.857 125.857 125.252 0.605 18183 3493 1 6 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.642 -0.190 18183 3494 1 6 . 1 1 67 67 LYS C C 725 175.624 175.624 175.797 -0.173 18183 3495 1 6 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.693 0.561 18183 3496 1 6 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.790 -0.749 18183 3497 1 6 . 1 1 67 67 LYS H H 725 8.671 8.671 8.758 -0.087 18183 3498 1 6 . 1 1 68 68 ASP N N 726 127.302 127.302 121.916 5.386 18183 3499 1 6 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.344 -0.153 18183 3500 1 6 . 1 1 68 68 ASP C C 726 174.291 174.291 175.352 -1.061 18183 3501 1 6 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.758 0.264 18183 3502 1 6 . 1 1 68 68 ASP CB C 726 39.391 39.391 40.121 -0.730 18183 3503 1 6 . 1 1 68 68 ASP H H 726 9.485 9.485 8.866 0.619 18183 3504 1 6 . 1 1 69 69 ASN N N 727 110.250 110.250 113.272 -3.022 18183 3505 1 6 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.265 -0.042 18183 3506 1 6 . 1 1 69 69 ASN C C 727 173.825 173.825 173.181 0.644 18183 3507 1 6 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.836 -0.164 18183 3508 1 6 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.328 -0.984 18183 3509 1 6 . 1 1 69 69 ASN H H 727 8.344 8.344 8.554 -0.210 18183 3510 1 6 . 1 1 70 70 TRP N N 728 119.098 119.098 116.035 3.063 18183 3511 1 6 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.928 0.388 18183 3512 1 6 . 1 1 70 70 TRP C C 728 174.989 174.989 174.582 0.407 18183 3513 1 6 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.609 0.103 18183 3514 1 6 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.412 0.931 18183 3515 1 6 . 1 1 70 70 TRP H H 728 8.050 8.050 7.780 0.270 18183 3516 1 6 . 1 1 71 71 ILE N N 729 121.706 121.706 121.482 0.224 18183 3517 1 6 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.231 0.281 18183 3518 1 6 . 1 1 71 71 ILE C C 729 175.265 175.265 173.952 1.313 18183 3519 1 6 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.356 -0.562 18183 3520 1 6 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.243 -0.152 18183 3521 1 6 . 1 1 71 71 ILE H H 729 9.298 9.298 9.554 -0.256 18183 3522 1 6 . 1 1 72 72 HIS N N 730 121.063 121.063 124.707 -3.644 18183 3523 1 6 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.580 -0.429 18183 3524 1 6 . 1 1 72 72 HIS C C 730 173.774 173.774 175.283 -1.509 18183 3525 1 6 . 1 1 72 72 HIS CA C 730 56.519 56.519 54.653 1.866 18183 3526 1 6 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.818 0.691 18183 3527 1 6 . 1 1 72 72 HIS H H 730 9.024 9.024 9.068 -0.044 18183 3528 1 6 . 1 1 73 73 ILE N N 731 112.363 112.363 116.900 -4.537 18183 3529 1 6 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.353 0.543 18183 3530 1 6 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.811 -0.509 18183 3531 1 6 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.584 0.803 18183 3532 1 6 . 1 1 73 73 ILE H H 731 9.425 9.425 8.577 0.848 18183 3533 1 6 . 1 1 74 74 THR N N 732 117.292 117.292 113.029 4.263 18183 3534 1 6 . 1 1 74 74 THR HA H 732 4.679 4.679 4.554 0.125 18183 3535 1 6 . 1 1 74 74 THR C C 732 173.467 173.467 173.787 -0.320 18183 3536 1 6 . 1 1 74 74 THR CA C 732 59.795 59.795 60.235 -0.440 18183 3537 1 6 . 1 1 74 74 THR CB C 732 69.896 69.896 71.560 -1.664 18183 3538 1 6 . 1 1 74 74 THR H H 732 8.421 8.421 7.774 0.647 18183 3539 1 6 . 1 1 75 75 GLU N N 733 123.689 123.689 119.590 4.099 18183 3540 1 6 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.496 -1.522 18183 3541 1 6 . 1 1 75 75 GLU C C 733 175.819 175.819 175.911 -0.092 18183 3542 1 6 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.149 2.749 18183 3543 1 6 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.565 -0.574 18183 3544 1 6 . 1 1 75 75 GLU H H 733 8.615 8.615 8.516 0.099 18183 3545 1 6 . 1 1 76 76 ALA N N 734 117.705 117.705 121.300 -3.595 18183 3546 1 6 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.287 -0.375 18183 3547 1 6 . 1 1 76 76 ALA C C 734 177.024 177.024 176.924 0.100 18183 3548 1 6 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.706 0.556 18183 3549 1 6 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.107 -0.310 18183 3550 1 6 . 1 1 76 76 ALA H H 734 7.654 7.654 7.835 -0.181 18183 3551 1 6 . 1 1 77 77 LYS N N 735 119.239 119.239 122.310 -3.071 18183 3552 1 6 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.369 -0.278 18183 3553 1 6 . 1 1 77 77 LYS C C 735 172.048 172.048 175.485 -3.437 18183 3554 1 6 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.948 -1.575 18183 3555 1 6 . 1 1 77 77 LYS CB C 735 33.343 33.343 30.682 2.661 18183 3556 1 6 . 1 1 77 77 LYS H H 735 7.214 7.214 8.485 -1.271 18183 3557 1 6 . 1 1 78 78 LYS N N 736 123.194 123.194 122.673 0.521 18183 3558 1 6 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.819 -0.082 18183 3559 1 6 . 1 1 78 78 LYS C C 736 174.901 174.901 175.797 -0.896 18183 3560 1 6 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.942 -1.239 18183 3561 1 6 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.124 1.969 18183 3562 1 6 . 1 1 78 78 LYS H H 736 7.850 7.850 7.896 -0.046 18183 3563 1 6 . 1 1 79 79 PHE N N 737 117.645 117.645 123.885 -6.240 18183 3564 1 6 . 1 1 79 79 PHE HA H 737 4.926 4.926 5.037 -0.111 18183 3565 1 6 . 1 1 79 79 PHE C C 737 175.500 175.500 174.834 0.666 18183 3566 1 6 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.081 -0.169 18183 3567 1 6 . 1 1 79 79 PHE CB C 737 43.468 43.468 43.401 0.067 18183 3568 1 6 . 1 1 79 79 PHE H H 737 9.079 9.079 9.219 -0.140 18183 3569 1 6 . 1 1 80 80 ASP N N 738 119.264 119.264 120.315 -1.051 18183 3570 1 6 . 1 1 80 80 ASP HA H 738 4.717 4.717 4.240 0.477 18183 3571 1 6 . 1 1 80 80 ASP C C 738 176.014 176.014 176.233 -0.219 18183 3572 1 6 . 1 1 80 80 ASP CA C 738 55.645 55.645 54.994 0.651 18183 3573 1 6 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.403 0.318 18183 3574 1 6 . 1 1 80 80 ASP H H 738 9.332 9.332 8.808 0.524 18183 3575 1 6 . 1 1 81 81 SER N N 739 108.541 108.541 114.331 -5.790 18183 3576 1 6 . 1 1 81 81 SER HA H 739 4.649 4.649 4.706 -0.057 18183 3577 1 6 . 1 1 81 81 SER C C 739 173.719 173.719 174.944 -1.225 18183 3578 1 6 . 1 1 81 81 SER CA C 739 57.148 57.148 57.020 0.128 18183 3579 1 6 . 1 1 81 81 SER CB C 739 66.475 66.475 65.218 1.257 18183 3580 1 6 . 1 1 81 81 SER H H 739 7.379 7.379 8.035 -0.656 18183 3581 1 6 . 1 1 82 82 LEU N N 740 122.926 122.926 127.277 -4.351 18183 3582 1 6 . 1 1 82 82 LEU HA H 740 3.756 3.756 4.126 -0.370 18183 3583 1 6 . 1 1 82 82 LEU C C 740 177.267 177.267 178.368 -1.101 18183 3584 1 6 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.080 -0.246 18183 3585 1 6 . 1 1 82 82 LEU CB C 740 40.583 40.583 42.258 -1.675 18183 3586 1 6 . 1 1 82 82 LEU H H 740 8.939 8.939 9.097 -0.158 18183 3587 1 6 . 1 1 83 83 LEU N N 741 116.722 116.722 118.461 -1.739 18183 3588 1 6 . 1 1 83 83 LEU HA H 741 3.775 3.775 4.193 -0.418 18183 3589 1 6 . 1 1 83 83 LEU C C 741 177.528 177.528 178.399 -0.871 18183 3590 1 6 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.656 -0.517 18183 3591 1 6 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.186 0.491 18183 3592 1 6 . 1 1 83 83 LEU H H 741 7.814 7.814 8.769 -0.955 18183 3593 1 6 . 1 1 84 84 GLU N N 742 116.747 116.747 119.816 -3.069 18183 3594 1 6 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.038 -0.171 18183 3595 1 6 . 1 1 84 84 GLU C C 742 178.282 178.282 178.911 -0.629 18183 3596 1 6 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.467 -0.328 18183 3597 1 6 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.513 0.920 18183 3598 1 6 . 1 1 84 84 GLU H H 742 7.541 7.541 7.752 -0.211 18183 3599 1 6 . 1 1 85 85 LEU N N 743 122.157 122.157 120.774 1.383 18183 3600 1 6 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.680 -0.717 18183 3601 1 6 . 1 1 85 85 LEU C C 743 177.315 177.315 178.539 -1.224 18183 3602 1 6 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.740 0.999 18183 3603 1 6 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.848 -0.133 18183 3604 1 6 . 1 1 85 85 LEU H H 743 7.076 7.076 7.432 -0.356 18183 3605 1 6 . 1 1 86 86 VAL N N 744 119.754 119.754 118.820 0.934 18183 3606 1 6 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.462 -0.672 18183 3607 1 6 . 1 1 86 86 VAL C C 744 177.621 177.621 177.897 -0.276 18183 3608 1 6 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.856 -0.012 18183 3609 1 6 . 1 1 86 86 VAL CB C 744 30.965 30.965 31.406 -0.441 18183 3610 1 6 . 1 1 86 86 VAL H H 744 8.116 8.116 7.877 0.239 18183 3611 1 6 . 1 1 87 87 GLU N N 745 116.169 116.169 118.806 -2.637 18183 3612 1 6 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.705 0.010 18183 3613 1 6 . 1 1 87 87 GLU C C 745 179.560 179.560 178.999 0.561 18183 3614 1 6 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.144 0.178 18183 3615 1 6 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.461 -0.375 18183 3616 1 6 . 1 1 87 87 GLU H H 745 8.168 8.168 7.923 0.245 18183 3617 1 6 . 1 1 88 88 TYR N N 746 120.022 120.022 119.992 0.030 18183 3618 1 6 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.097 -0.004 18183 3619 1 6 . 1 1 88 88 TYR C C 746 180.010 180.010 177.986 2.024 18183 3620 1 6 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.562 1.032 18183 3621 1 6 . 1 1 88 88 TYR CB C 746 38.828 38.828 39.114 -0.286 18183 3622 1 6 . 1 1 88 88 TYR H H 746 7.774 7.774 7.923 -0.149 18183 3623 1 6 . 1 1 89 89 TYR N N 747 118.480 118.480 116.535 1.945 18183 3624 1 6 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.555 0.500 18183 3625 1 6 . 1 1 89 89 TYR C C 747 175.796 175.796 177.680 -1.884 18183 3626 1 6 . 1 1 89 89 TYR CA C 747 61.137 61.137 58.232 2.905 18183 3627 1 6 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.892 -0.962 18183 3628 1 6 . 1 1 89 89 TYR H H 747 7.782 7.782 8.477 -0.695 18183 3629 1 6 . 1 1 90 90 GLN N N 748 118.696 118.696 120.306 -1.610 18183 3630 1 6 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.361 1.028 18183 3631 1 6 . 1 1 90 90 GLN C C 748 177.777 177.777 176.771 1.006 18183 3632 1 6 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.478 -1.761 18183 3633 1 6 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.273 0.247 18183 3634 1 6 . 1 1 90 90 GLN H H 748 7.838 7.838 7.640 0.198 18183 3635 1 6 . 1 1 91 91 CYS N N 749 111.118 111.118 113.295 -2.177 18183 3636 1 6 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.359 0.243 18183 3637 1 6 . 1 1 91 91 CYS C C 749 172.887 172.887 173.708 -0.821 18183 3638 1 6 . 1 1 91 91 CYS CA C 749 57.434 57.434 58.008 -0.574 18183 3639 1 6 . 1 1 91 91 CYS CB C 749 29.266 29.266 27.794 1.472 18183 3640 1 6 . 1 1 91 91 CYS H H 749 7.145 7.145 7.824 -0.679 18183 3641 1 6 . 1 1 92 92 HIS N N 750 120.227 120.227 119.884 0.343 18183 3642 1 6 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.692 -0.360 18183 3643 1 6 . 1 1 92 92 HIS C C 750 171.842 171.842 174.062 -2.220 18183 3644 1 6 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.399 0.678 18183 3645 1 6 . 1 1 92 92 HIS CB C 750 29.376 29.376 32.712 -3.336 18183 3646 1 6 . 1 1 92 92 HIS H H 750 7.470 7.470 7.446 0.024 18183 3647 1 6 . 1 1 93 93 SER N N 751 113.120 113.120 117.749 -4.629 18183 3648 1 6 . 1 1 93 93 SER HA H 751 3.782 3.782 4.318 -0.536 18183 3649 1 6 . 1 1 93 93 SER C C 751 176.653 176.653 174.893 1.760 18183 3650 1 6 . 1 1 93 93 SER CA C 751 57.812 57.812 59.376 -1.564 18183 3651 1 6 . 1 1 93 93 SER CB C 751 62.783 62.783 63.773 -0.990 18183 3652 1 6 . 1 1 93 93 SER H H 751 8.404 8.404 8.639 -0.235 18183 3653 1 6 . 1 1 94 94 LEU N N 752 127.293 127.293 123.476 3.817 18183 3654 1 6 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.460 -0.391 18183 3655 1 6 . 1 1 94 94 LEU C C 752 177.524 177.524 177.367 0.157 18183 3656 1 6 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.070 2.326 18183 3657 1 6 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.584 1.903 18183 3658 1 6 . 1 1 94 94 LEU H H 752 8.553 8.553 8.385 0.168 18183 3659 1 6 . 1 1 95 95 LYS N N 753 122.249 122.249 119.451 2.798 18183 3660 1 6 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.437 -0.109 18183 3661 1 6 . 1 1 95 95 LYS C C 753 176.426 176.426 177.828 -1.402 18183 3662 1 6 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.067 -0.513 18183 3663 1 6 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.473 0.701 18183 3664 1 6 . 1 1 95 95 LYS H H 753 8.303 8.303 8.285 0.018 18183 3665 1 6 . 1 1 96 96 GLU N N 754 115.401 115.401 120.021 -4.620 18183 3666 1 6 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.137 -0.052 18183 3667 1 6 . 1 1 96 96 GLU C C 754 176.838 176.838 177.993 -1.155 18183 3668 1 6 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.774 -0.677 18183 3669 1 6 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.541 -0.041 18183 3670 1 6 . 1 1 96 96 GLU H H 754 7.188 7.188 8.274 -1.086 18183 3671 1 6 . 1 1 97 97 SER N N 755 113.852 113.852 112.859 0.993 18183 3672 1 6 . 1 1 97 97 SER HA H 755 4.402 4.402 4.533 -0.131 18183 3673 1 6 . 1 1 97 97 SER C C 755 172.067 172.067 174.335 -2.268 18183 3674 1 6 . 1 1 97 97 SER CA C 755 59.448 59.448 59.616 -0.168 18183 3675 1 6 . 1 1 97 97 SER CB C 755 65.680 65.680 65.093 0.588 18183 3676 1 6 . 1 1 97 97 SER H H 755 7.838 7.838 7.691 0.147 18183 3677 1 6 . 1 1 98 98 PHE N N 756 121.742 121.742 121.649 0.093 18183 3678 1 6 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.752 -0.182 18183 3679 1 6 . 1 1 98 98 PHE C C 756 174.941 174.941 175.015 -0.074 18183 3680 1 6 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.404 0.345 18183 3681 1 6 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.889 0.392 18183 3682 1 6 . 1 1 98 98 PHE H H 756 8.223 8.223 8.685 -0.462 18183 3683 1 6 . 1 1 99 99 LYS N N 757 122.713 122.713 125.026 -2.313 18183 3684 1 6 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.006 0.065 18183 3685 1 6 . 1 1 99 99 LYS C C 757 176.793 176.793 177.047 -0.254 18183 3686 1 6 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.267 -0.110 18183 3687 1 6 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.663 -0.330 18183 3688 1 6 . 1 1 99 99 LYS H H 757 8.388 8.388 8.630 -0.242 18183 3689 1 6 . 1 1 100 100 GLN N N 758 114.972 114.972 116.647 -1.675 18183 3690 1 6 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.399 -0.238 18183 3691 1 6 . 1 1 100 100 GLN C C 758 175.591 175.591 175.984 -0.393 18183 3692 1 6 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.093 0.376 18183 3693 1 6 . 1 1 100 100 GLN CB C 758 27.987 27.987 27.891 0.096 18183 3694 1 6 . 1 1 100 100 GLN H H 758 8.662 8.662 8.109 0.553 18183 3695 1 6 . 1 1 101 101 LEU N N 759 124.472 124.472 121.671 2.801 18183 3696 1 6 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.699 -1.020 18183 3697 1 6 . 1 1 101 101 LEU C C 759 173.228 173.228 174.926 -1.698 18183 3698 1 6 . 1 1 101 101 LEU CA C 759 52.325 52.325 55.031 -2.706 18183 3699 1 6 . 1 1 101 101 LEU CB C 759 41.512 41.512 43.680 -2.168 18183 3700 1 6 . 1 1 101 101 LEU H H 759 7.884 7.884 7.757 0.127 18183 3701 1 6 . 1 1 102 102 ASP N N 760 119.321 119.321 123.104 -3.783 18183 3702 1 6 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.652 -0.168 18183 3703 1 6 . 1 1 102 102 ASP C C 760 173.467 173.467 175.207 -1.740 18183 3704 1 6 . 1 1 102 102 ASP CA C 760 52.125 52.125 54.546 -2.421 18183 3705 1 6 . 1 1 102 102 ASP CB C 760 39.028 39.028 39.754 -0.726 18183 3706 1 6 . 1 1 102 102 ASP H H 760 6.594 6.594 8.617 -2.023 18183 3707 1 6 . 1 1 103 103 THR N N 761 117.213 117.213 116.354 0.859 18183 3708 1 6 . 1 1 103 103 THR HA H 761 4.643 4.643 4.251 0.392 18183 3709 1 6 . 1 1 103 103 THR C C 761 172.158 172.158 173.201 -1.043 18183 3710 1 6 . 1 1 103 103 THR CA C 761 60.197 60.197 60.283 -0.086 18183 3711 1 6 . 1 1 103 103 THR CB C 761 69.046 69.046 70.228 -1.182 18183 3712 1 6 . 1 1 103 103 THR H H 761 7.637 7.637 7.828 -0.191 18183 3713 1 6 . 1 1 104 104 THR N N 762 114.193 114.193 116.839 -2.646 18183 3714 1 6 . 1 1 104 104 THR HA H 762 4.569 4.569 4.406 0.163 18183 3715 1 6 . 1 1 104 104 THR C C 762 175.698 175.698 173.912 1.786 18183 3716 1 6 . 1 1 104 104 THR CA C 762 60.808 60.808 59.950 0.858 18183 3717 1 6 . 1 1 104 104 THR CB C 762 70.636 70.636 70.939 -0.303 18183 3718 1 6 . 1 1 104 104 THR H H 762 7.284 7.284 7.965 -0.681 18183 3719 1 6 . 1 1 105 105 LEU N N 763 117.473 117.473 122.264 -4.791 18183 3720 1 6 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.799 -0.336 18183 3721 1 6 . 1 1 105 105 LEU C C 763 174.348 174.348 176.584 -2.236 18183 3722 1 6 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.190 -1.208 18183 3723 1 6 . 1 1 105 105 LEU CB C 763 35.683 35.683 40.054 -4.371 18183 3724 1 6 . 1 1 105 105 LEU H H 763 8.093 8.093 8.108 -0.015 18183 3725 1 6 . 1 1 106 106 LYS N N 764 127.491 127.491 124.155 3.336 18183 3726 1 6 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.060 -0.102 18183 3727 1 6 . 1 1 106 106 LYS C C 764 176.734 176.734 176.373 0.361 18183 3728 1 6 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.537 2.159 18183 3729 1 6 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.381 1.786 18183 3730 1 6 . 1 1 106 106 LYS H H 764 7.118 7.118 8.127 -1.009 18183 3731 1 6 . 1 1 107 107 TYR N N 765 115.804 115.804 116.108 -0.304 18183 3732 1 6 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.845 0.619 18183 3733 1 6 . 1 1 107 107 TYR C C 765 172.048 172.048 172.229 -0.181 18183 3734 1 6 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.330 -2.811 18183 3735 1 6 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.784 1.592 18183 3736 1 6 . 1 1 107 107 TYR H H 765 7.848 7.848 8.393 -0.545 18183 3737 1 6 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.319 -0.693 18183 3738 1 6 . 1 1 108 108 PRO C C 766 180.469 180.469 176.073 4.396 18183 3739 1 6 . 1 1 109 109 TYR N N 767 122.791 122.791 114.571 8.220 18183 3740 1 6 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.068 -0.284 18183 3741 1 6 . 1 1 109 109 TYR C C 767 174.575 174.575 177.527 -2.952 18183 3742 1 6 . 1 1 109 109 TYR CA C 767 60.986 60.986 58.650 2.336 18183 3743 1 6 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.296 0.330 18183 3744 1 6 . 1 1 109 109 TYR H H 767 8.306 8.306 8.247 0.059 18183 3745 1 6 . 1 1 110 110 LYS N N 768 118.817 118.817 122.198 -3.381 18183 3746 1 6 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.809 0.094 18183 3747 1 6 . 1 1 110 110 LYS C C 768 176.259 176.259 176.344 -0.085 18183 3748 1 6 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.770 -2.175 18183 3749 1 6 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.337 0.268 18183 3750 1 6 . 1 1 110 110 LYS H H 768 6.785 6.785 8.145 -1.360 18183 3751 1 6 . 1 1 111 111 SER N N 769 114.539 114.539 112.180 2.359 18183 3752 1 6 . 1 1 111 111 SER HA H 769 4.317 4.317 4.606 -0.289 18183 3753 1 6 . 1 1 111 111 SER C C 769 174.092 174.092 173.167 0.925 18183 3754 1 6 . 1 1 111 111 SER CA C 769 58.647 58.647 58.736 -0.089 18183 3755 1 6 . 1 1 111 111 SER CB C 769 63.883 63.883 63.961 -0.078 18183 3756 1 6 . 1 1 111 111 SER H H 769 7.765 7.765 8.291 -0.526 18183 3757 1 6 . 1 1 112 112 ARG N N 770 122.458 122.458 125.029 -2.571 18183 3758 1 6 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.486 -0.164 18183 3759 1 6 . 1 1 112 112 ARG C C 770 175.130 175.130 175.169 -0.039 18183 3760 1 6 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.956 -0.292 18183 3761 1 6 . 1 1 112 112 ARG CB C 770 30.880 30.880 30.852 0.028 18183 3762 1 6 . 1 1 112 112 ARG H H 770 8.082 8.082 8.588 -0.506 18183 3763 1 7 . 1 1 2 2 ARG N N 660 123.546 123.546 122.474 1.072 18183 3764 1 7 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.652 -0.076 18183 3765 1 7 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.712 -0.862 18183 3766 1 7 . 1 1 2 2 ARG CB C 660 30.347 30.347 29.869 0.478 18183 3767 1 7 . 1 1 2 2 ARG H H 660 8.258 8.258 8.495 -0.237 18183 3768 1 7 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.477 -0.121 18183 3769 1 7 . 1 1 4 4 PRO C C 662 177.047 177.047 175.865 1.182 18183 3770 1 7 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.679 0.542 18183 3771 1 7 . 1 1 4 4 PRO CB C 662 31.975 31.975 30.387 1.588 18183 3772 1 7 . 1 1 5 5 SER N N 663 116.108 116.108 118.431 -2.323 18183 3773 1 7 . 1 1 5 5 SER HA H 663 4.335 4.335 4.668 -0.333 18183 3774 1 7 . 1 1 5 5 SER C C 663 174.708 174.708 173.391 1.317 18183 3775 1 7 . 1 1 5 5 SER CA C 663 58.639 58.639 58.426 0.213 18183 3776 1 7 . 1 1 5 5 SER CB C 663 63.849 63.849 63.491 0.358 18183 3777 1 7 . 1 1 5 5 SER H H 663 8.385 8.385 8.338 0.047 18183 3778 1 7 . 1 1 6 6 ARG N N 664 122.132 122.132 126.515 -4.383 18183 3779 1 7 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.684 -0.365 18183 3780 1 7 . 1 1 6 6 ARG C C 664 175.951 175.951 174.455 1.496 18183 3781 1 7 . 1 1 6 6 ARG CA C 664 55.931 55.931 54.994 0.937 18183 3782 1 7 . 1 1 6 6 ARG CB C 664 30.832 30.832 31.712 -0.880 18183 3783 1 7 . 1 1 6 6 ARG H H 664 8.347 8.347 8.259 0.088 18183 3784 1 7 . 1 1 7 7 GLU N N 665 122.268 122.268 119.961 2.307 18183 3785 1 7 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.619 -0.357 18183 3786 1 7 . 1 1 7 7 GLU C C 665 175.809 175.809 175.537 0.272 18183 3787 1 7 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.822 0.348 18183 3788 1 7 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.425 -0.517 18183 3789 1 7 . 1 1 7 7 GLU H H 665 8.336 8.336 8.529 -0.193 18183 3790 1 7 . 1 1 8 8 ILE N N 666 123.984 123.984 123.796 0.188 18183 3791 1 7 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.083 -0.303 18183 3792 1 7 . 1 1 8 8 ILE C C 666 174.325 174.325 175.498 -1.173 18183 3793 1 7 . 1 1 8 8 ILE CA C 666 60.809 60.809 61.602 -0.793 18183 3794 1 7 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.201 1.032 18183 3795 1 7 . 1 1 8 8 ILE H H 666 7.920 7.920 8.379 -0.459 18183 3796 1 7 . 1 1 9 9 ASP N N 667 124.228 124.228 128.180 -3.952 18183 3797 1 7 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.807 -0.239 18183 3798 1 7 . 1 1 9 9 ASP C C 667 177.001 177.001 175.841 1.160 18183 3799 1 7 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.240 -1.250 18183 3800 1 7 . 1 1 9 9 ASP CB C 667 40.310 40.310 41.185 -0.875 18183 3801 1 7 . 1 1 9 9 ASP H H 667 8.072 8.072 8.409 -0.337 18183 3802 1 7 . 1 1 10 10 TYR N N 668 125.329 125.329 120.021 5.308 18183 3803 1 7 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.154 -0.026 18183 3804 1 7 . 1 1 10 10 TYR C C 668 175.901 175.901 175.902 -0.001 18183 3805 1 7 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.465 0.092 18183 3806 1 7 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.914 -1.748 18183 3807 1 7 . 1 1 10 10 TYR H H 668 8.493 8.493 8.763 -0.270 18183 3808 1 7 . 1 1 11 11 THR N N 669 108.533 108.533 108.283 0.250 18183 3809 1 7 . 1 1 11 11 THR HA H 669 4.082 4.082 3.740 0.342 18183 3810 1 7 . 1 1 11 11 THR C C 669 175.170 175.170 175.106 0.064 18183 3811 1 7 . 1 1 11 11 THR CA C 669 64.701 64.701 63.114 1.587 18183 3812 1 7 . 1 1 11 11 THR CB C 669 68.924 68.924 69.324 -0.400 18183 3813 1 7 . 1 1 11 11 THR H H 669 7.948 7.948 7.682 0.266 18183 3814 1 7 . 1 1 12 12 ALA N N 670 121.252 121.252 123.557 -2.305 18183 3815 1 7 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.024 -0.001 18183 3816 1 7 . 1 1 12 12 ALA C C 670 177.747 177.747 178.039 -0.292 18183 3817 1 7 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.304 -0.805 18183 3818 1 7 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.554 0.673 18183 3819 1 7 . 1 1 12 12 ALA H H 670 7.366 7.366 7.423 -0.057 18183 3820 1 7 . 1 1 13 13 TYR N N 671 117.895 117.895 118.225 -0.330 18183 3821 1 7 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.143 0.109 18183 3822 1 7 . 1 1 13 13 TYR C C 671 176.545 176.545 174.875 1.670 18183 3823 1 7 . 1 1 13 13 TYR CA C 671 56.472 56.472 57.123 -0.651 18183 3824 1 7 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.324 -0.765 18183 3825 1 7 . 1 1 13 13 TYR H H 671 7.490 7.490 7.321 0.169 18183 3826 1 7 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.491 -0.191 18183 3827 1 7 . 1 1 14 14 PRO C C 672 173.638 173.638 175.172 -1.534 18183 3828 1 7 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.294 0.457 18183 3829 1 7 . 1 1 14 14 PRO CB C 672 31.244 31.244 30.355 0.889 18183 3830 1 7 . 1 1 15 15 TRP N N 673 109.940 109.940 114.219 -4.279 18183 3831 1 7 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.855 -0.149 18183 3832 1 7 . 1 1 15 15 TRP C C 673 175.471 175.471 173.852 1.619 18183 3833 1 7 . 1 1 15 15 TRP CA C 673 52.850 52.850 56.093 -3.243 18183 3834 1 7 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.778 3.658 18183 3835 1 7 . 1 1 15 15 TRP H H 673 6.184 6.184 7.535 -1.351 18183 3836 1 7 . 1 1 16 16 PHE N N 674 123.228 123.228 123.880 -0.652 18183 3837 1 7 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.883 0.218 18183 3838 1 7 . 1 1 16 16 PHE C C 674 174.684 174.684 172.974 1.710 18183 3839 1 7 . 1 1 16 16 PHE CA C 674 59.566 59.566 56.727 2.839 18183 3840 1 7 . 1 1 16 16 PHE CB C 674 39.968 39.968 42.206 -2.238 18183 3841 1 7 . 1 1 16 16 PHE H H 674 7.585 7.585 7.637 -0.052 18183 3842 1 7 . 1 1 17 17 ALA N N 675 130.573 130.573 127.558 3.015 18183 3843 1 7 . 1 1 17 17 ALA HA H 675 4.842 4.842 5.180 -0.338 18183 3844 1 7 . 1 1 17 17 ALA C C 675 177.161 177.161 176.179 0.982 18183 3845 1 7 . 1 1 17 17 ALA CA C 675 51.168 51.168 50.050 1.118 18183 3846 1 7 . 1 1 17 17 ALA CB C 675 21.968 21.968 22.357 -0.389 18183 3847 1 7 . 1 1 17 17 ALA H H 675 9.004 9.004 8.036 0.968 18183 3848 1 7 . 1 1 18 18 GLY C C 676 174.000 174.000 174.057 -0.057 18183 3849 1 7 . 1 1 18 18 GLY CA C 676 46.490 46.490 43.959 2.531 18183 3850 1 7 . 1 1 19 19 ASN N N 677 124.182 124.182 118.848 5.334 18183 3851 1 7 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.821 0.185 18183 3852 1 7 . 1 1 19 19 ASN C C 677 174.916 174.916 174.880 0.036 18183 3853 1 7 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.467 -0.862 18183 3854 1 7 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.124 -0.059 18183 3855 1 7 . 1 1 19 19 ASN H H 677 8.657 8.657 8.477 0.180 18183 3856 1 7 . 1 1 20 20 MET N N 678 122.806 122.806 121.922 0.884 18183 3857 1 7 . 1 1 20 20 MET HA H 678 4.173 4.173 4.444 -0.271 18183 3858 1 7 . 1 1 20 20 MET C C 678 175.317 175.317 176.155 -0.838 18183 3859 1 7 . 1 1 20 20 MET CA C 678 56.274 56.274 55.403 0.871 18183 3860 1 7 . 1 1 20 20 MET CB C 678 35.581 35.581 34.782 0.799 18183 3861 1 7 . 1 1 20 20 MET H H 678 7.158 7.158 7.946 -0.788 18183 3862 1 7 . 1 1 21 21 GLU N N 679 124.655 124.655 120.416 4.239 18183 3863 1 7 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.342 -0.141 18183 3864 1 7 . 1 1 21 21 GLU C C 679 178.105 178.105 177.117 0.988 18183 3865 1 7 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.026 -0.010 18183 3866 1 7 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.412 0.478 18183 3867 1 7 . 1 1 21 21 GLU H H 679 8.687 8.687 8.452 0.235 18183 3868 1 7 . 1 1 22 22 ARG N N 680 125.764 125.764 121.038 4.726 18183 3869 1 7 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.936 -0.656 18183 3870 1 7 . 1 1 22 22 ARG C C 680 177.559 177.559 178.283 -0.724 18183 3871 1 7 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.276 0.778 18183 3872 1 7 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.029 -0.161 18183 3873 1 7 . 1 1 22 22 ARG H H 680 9.191 9.191 8.704 0.487 18183 3874 1 7 . 1 1 23 23 GLN N N 681 118.109 118.109 118.131 -0.022 18183 3875 1 7 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.102 -0.109 18183 3876 1 7 . 1 1 23 23 GLN C C 681 178.252 178.252 178.249 0.003 18183 3877 1 7 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.431 0.168 18183 3878 1 7 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.945 -0.180 18183 3879 1 7 . 1 1 23 23 GLN H H 681 9.085 9.085 8.583 0.502 18183 3880 1 7 . 1 1 24 24 GLN N N 682 118.128 118.128 117.874 0.254 18183 3881 1 7 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.043 0.008 18183 3882 1 7 . 1 1 24 24 GLN C C 682 178.328 178.328 178.649 -0.321 18183 3883 1 7 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.427 -0.662 18183 3884 1 7 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.485 -0.253 18183 3885 1 7 . 1 1 24 24 GLN H H 682 7.287 7.287 8.582 -1.295 18183 3886 1 7 . 1 1 25 25 THR N N 683 116.436 116.436 115.584 0.852 18183 3887 1 7 . 1 1 25 25 THR HA H 683 3.641 3.641 3.980 -0.339 18183 3888 1 7 . 1 1 25 25 THR CA C 683 67.504 67.504 67.482 0.022 18183 3889 1 7 . 1 1 25 25 THR CB C 683 67.667 67.667 68.601 -0.934 18183 3890 1 7 . 1 1 25 25 THR H H 683 7.813 7.813 7.833 -0.020 18183 3891 1 7 . 1 1 26 26 ASP N N 684 123.084 123.084 121.012 2.072 18183 3892 1 7 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.499 -0.271 18183 3893 1 7 . 1 1 26 26 ASP C C 684 178.426 178.426 177.719 0.707 18183 3894 1 7 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.733 0.287 18183 3895 1 7 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.177 -1.351 18183 3896 1 7 . 1 1 26 26 ASP H H 684 8.384 8.384 7.618 0.766 18183 3897 1 7 . 1 1 27 27 ASN N N 685 116.068 116.068 117.045 -0.977 18183 3898 1 7 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.540 -0.221 18183 3899 1 7 . 1 1 27 27 ASN C C 685 177.207 177.207 177.639 -0.432 18183 3900 1 7 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.418 0.329 18183 3901 1 7 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.774 -0.577 18183 3902 1 7 . 1 1 27 27 ASN H H 685 7.667 7.667 8.195 -0.528 18183 3903 1 7 . 1 1 28 28 LEU N N 686 120.906 120.906 120.076 0.830 18183 3904 1 7 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.284 -0.115 18183 3905 1 7 . 1 1 28 28 LEU C C 686 179.394 179.394 178.297 1.097 18183 3906 1 7 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.799 0.022 18183 3907 1 7 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.115 0.577 18183 3908 1 7 . 1 1 28 28 LEU H H 686 7.993 7.993 7.716 0.277 18183 3909 1 7 . 1 1 29 29 LEU N N 687 114.941 114.941 116.156 -1.215 18183 3910 1 7 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.751 -0.700 18183 3911 1 7 . 1 1 29 29 LEU C C 687 178.742 178.742 177.385 1.357 18183 3912 1 7 . 1 1 29 29 LEU CA C 687 56.437 56.437 53.668 2.769 18183 3913 1 7 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.925 1.917 18183 3914 1 7 . 1 1 29 29 LEU H H 687 8.166 8.166 7.598 0.568 18183 3915 1 7 . 1 1 30 30 LYS N N 688 118.446 118.446 120.378 -1.932 18183 3916 1 7 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.127 -0.414 18183 3917 1 7 . 1 1 30 30 LYS C C 688 177.260 177.260 177.169 0.091 18183 3918 1 7 . 1 1 30 30 LYS CA C 688 60.478 60.478 59.023 1.455 18183 3919 1 7 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.161 -0.077 18183 3920 1 7 . 1 1 30 30 LYS H H 688 7.635 7.635 7.665 -0.030 18183 3921 1 7 . 1 1 31 31 SER N N 689 111.039 111.039 112.218 -1.179 18183 3922 1 7 . 1 1 31 31 SER HA H 689 4.417 4.417 4.626 -0.209 18183 3923 1 7 . 1 1 31 31 SER C C 689 174.495 174.495 174.303 0.192 18183 3924 1 7 . 1 1 31 31 SER CA C 689 58.387 58.387 57.225 1.162 18183 3925 1 7 . 1 1 31 31 SER CB C 689 63.281 63.281 63.121 0.160 18183 3926 1 7 . 1 1 31 31 SER H H 689 7.709 7.709 8.099 -0.390 18183 3927 1 7 . 1 1 32 32 HIS N N 690 120.253 120.253 121.707 -1.454 18183 3928 1 7 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.718 -0.142 18183 3929 1 7 . 1 1 32 32 HIS C C 690 173.913 173.913 173.932 -0.019 18183 3930 1 7 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.698 -0.622 18183 3931 1 7 . 1 1 32 32 HIS CB C 690 31.853 31.853 32.054 -0.201 18183 3932 1 7 . 1 1 32 32 HIS H H 690 7.647 7.647 7.414 0.233 18183 3933 1 7 . 1 1 33 33 ALA N N 691 120.403 120.403 123.135 -2.732 18183 3934 1 7 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.566 -0.288 18183 3935 1 7 . 1 1 33 33 ALA C C 691 179.503 179.503 176.891 2.612 18183 3936 1 7 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.258 0.460 18183 3937 1 7 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.372 -0.103 18183 3938 1 7 . 1 1 33 33 ALA H H 691 8.452 8.452 8.840 -0.388 18183 3939 1 7 . 1 1 34 34 SER N N 692 117.464 117.464 116.746 0.718 18183 3940 1 7 . 1 1 34 34 SER HA H 692 4.047 4.047 4.922 -0.875 18183 3941 1 7 . 1 1 34 34 SER C C 692 175.307 175.307 175.356 -0.049 18183 3942 1 7 . 1 1 34 34 SER CA C 692 60.434 60.434 59.929 0.505 18183 3943 1 7 . 1 1 34 34 SER CB C 692 63.132 63.132 62.948 0.184 18183 3944 1 7 . 1 1 34 34 SER H H 692 9.002 9.002 8.542 0.460 18183 3945 1 7 . 1 1 35 35 GLY N N 693 113.364 113.364 113.463 -0.099 18183 3946 1 7 . 1 1 35 35 GLY C C 693 174.739 174.739 174.792 -0.053 18183 3947 1 7 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.026 -0.176 18183 3948 1 7 . 1 1 35 35 GLY H H 693 9.873 9.873 8.995 0.878 18183 3949 1 7 . 1 1 36 36 THR N N 694 120.932 120.932 121.554 -0.622 18183 3950 1 7 . 1 1 36 36 THR HA H 694 5.923 5.923 5.128 0.795 18183 3951 1 7 . 1 1 36 36 THR C C 694 173.253 173.253 173.830 -0.577 18183 3952 1 7 . 1 1 36 36 THR CA C 694 63.429 63.429 64.471 -1.042 18183 3953 1 7 . 1 1 36 36 THR CB C 694 68.091 68.091 68.545 -0.454 18183 3954 1 7 . 1 1 36 36 THR H H 694 8.240 8.240 7.665 0.575 18183 3955 1 7 . 1 1 37 37 TYR N N 695 123.567 123.567 124.502 -0.935 18183 3956 1 7 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.584 0.392 18183 3957 1 7 . 1 1 37 37 TYR C C 695 171.737 171.737 173.233 -1.496 18183 3958 1 7 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.864 0.371 18183 3959 1 7 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.482 2.807 18183 3960 1 7 . 1 1 37 37 TYR H H 695 8.765 8.765 8.235 0.530 18183 3961 1 7 . 1 1 38 38 LEU N N 696 115.294 115.294 114.494 0.800 18183 3962 1 7 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.003 0.100 18183 3963 1 7 . 1 1 38 38 LEU C C 696 174.368 174.368 174.549 -0.181 18183 3964 1 7 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.020 -0.188 18183 3965 1 7 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.198 0.096 18183 3966 1 7 . 1 1 38 38 LEU H H 696 9.008 9.008 9.104 -0.096 18183 3967 1 7 . 1 1 39 39 ILE N N 697 122.087 122.087 120.458 1.629 18183 3968 1 7 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.858 0.435 18183 3969 1 7 . 1 1 39 39 ILE C C 697 173.625 173.625 174.935 -1.310 18183 3970 1 7 . 1 1 39 39 ILE CA C 697 59.806 59.806 59.224 0.582 18183 3971 1 7 . 1 1 39 39 ILE CB C 697 38.766 38.766 39.113 -0.347 18183 3972 1 7 . 1 1 39 39 ILE H H 697 9.276 9.276 8.190 1.086 18183 3973 1 7 . 1 1 40 40 ARG N N 698 123.307 123.307 124.411 -1.104 18183 3974 1 7 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.995 0.149 18183 3975 1 7 . 1 1 40 40 ARG C C 698 173.789 173.789 174.576 -0.787 18183 3976 1 7 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.028 -0.857 18183 3977 1 7 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.855 -0.429 18183 3978 1 7 . 1 1 40 40 ARG H H 698 9.032 9.032 9.168 -0.136 18183 3979 1 7 . 1 1 41 41 GLU N N 699 122.502 122.502 121.367 1.135 18183 3980 1 7 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.748 0.243 18183 3981 1 7 . 1 1 41 41 GLU C C 699 175.788 175.788 175.043 0.745 18183 3982 1 7 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.407 -0.568 18183 3983 1 7 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.251 0.672 18183 3984 1 7 . 1 1 41 41 GLU H H 699 8.453 8.453 8.139 0.314 18183 3985 1 7 . 1 1 42 42 ARG N N 700 125.039 125.039 126.403 -1.364 18183 3986 1 7 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.854 -0.200 18183 3987 1 7 . 1 1 42 42 ARG H H 700 8.844 8.844 8.470 0.374 18183 3988 1 7 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.233 -0.018 18183 3989 1 7 . 1 1 43 43 PRO C C 701 176.485 176.485 175.453 1.032 18183 3990 1 7 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.700 0.329 18183 3991 1 7 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.022 0.428 18183 3992 1 7 . 1 1 44 44 ALA N N 702 120.718 120.718 126.488 -5.770 18183 3993 1 7 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.519 -0.276 18183 3994 1 7 . 1 1 44 44 ALA C C 702 176.924 176.924 176.767 0.157 18183 3995 1 7 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.298 0.770 18183 3996 1 7 . 1 1 44 44 ALA CB C 702 19.427 19.427 21.073 -1.646 18183 3997 1 7 . 1 1 44 44 ALA H H 702 8.217 8.217 7.986 0.231 18183 3998 1 7 . 1 1 45 45 GLU N N 703 118.107 118.107 120.042 -1.935 18183 3999 1 7 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.306 -0.001 18183 4000 1 7 . 1 1 45 45 GLU C C 703 176.308 176.308 177.903 -1.595 18183 4001 1 7 . 1 1 45 45 GLU H H 703 7.638 7.638 8.852 -1.214 18183 4002 1 7 . 1 1 46 46 ALA N N 704 122.161 122.161 123.262 -1.101 18183 4003 1 7 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.213 -0.078 18183 4004 1 7 . 1 1 46 46 ALA C C 704 178.439 178.439 176.967 1.472 18183 4005 1 7 . 1 1 46 46 ALA H H 704 8.596 8.596 7.984 0.612 18183 4006 1 7 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.609 0.037 18183 4007 1 7 . 1 1 47 47 GLU C C 705 175.340 175.340 175.651 -0.311 18183 4008 1 7 . 1 1 47 47 GLU H H 705 7.642 7.642 8.063 -0.421 18183 4009 1 7 . 1 1 48 48 ARG N N 706 122.871 122.871 120.687 2.184 18183 4010 1 7 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.757 -0.117 18183 4011 1 7 . 1 1 48 48 ARG C C 706 175.645 175.645 175.633 0.012 18183 4012 1 7 . 1 1 48 48 ARG H H 706 8.163 8.163 8.597 -0.434 18183 4013 1 7 . 1 1 49 49 PHE N N 707 113.719 113.719 117.674 -3.955 18183 4014 1 7 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.622 1.162 18183 4015 1 7 . 1 1 49 49 PHE C C 707 174.536 174.536 174.868 -0.332 18183 4016 1 7 . 1 1 49 49 PHE H H 707 8.370 8.370 7.967 0.403 18183 4017 1 7 . 1 1 50 50 ALA N N 708 119.650 119.650 123.154 -3.504 18183 4018 1 7 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.003 0.117 18183 4019 1 7 . 1 1 50 50 ALA C C 708 175.964 175.964 175.156 0.808 18183 4020 1 7 . 1 1 50 50 ALA CA C 708 51.013 51.013 51.462 -0.448 18183 4021 1 7 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.541 -0.661 18183 4022 1 7 . 1 1 50 50 ALA H H 708 8.868 8.868 8.770 0.098 18183 4023 1 7 . 1 1 51 51 ILE N N 709 121.077 121.077 121.698 -0.621 18183 4024 1 7 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.743 -0.096 18183 4025 1 7 . 1 1 51 51 ILE C C 709 175.049 175.049 174.538 0.511 18183 4026 1 7 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.357 0.142 18183 4027 1 7 . 1 1 51 51 ILE CB C 709 39.996 39.996 41.082 -1.086 18183 4028 1 7 . 1 1 51 51 ILE H H 709 9.130 9.130 8.805 0.325 18183 4029 1 7 . 1 1 52 52 SER N N 710 125.122 125.122 118.894 6.228 18183 4030 1 7 . 1 1 52 52 SER HA H 710 5.454 5.454 5.317 0.137 18183 4031 1 7 . 1 1 52 52 SER C C 710 172.024 172.024 172.582 -0.558 18183 4032 1 7 . 1 1 52 52 SER CA C 710 57.614 57.614 56.318 1.296 18183 4033 1 7 . 1 1 52 52 SER CB C 710 64.989 64.989 65.439 -0.450 18183 4034 1 7 . 1 1 52 52 SER H H 710 9.204 9.204 8.976 0.228 18183 4035 1 7 . 1 1 53 53 ILE N N 711 121.512 121.512 124.377 -2.865 18183 4036 1 7 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.095 0.044 18183 4037 1 7 . 1 1 53 53 ILE C C 711 173.093 173.093 173.078 0.015 18183 4038 1 7 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.323 -1.690 18183 4039 1 7 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.249 -0.426 18183 4040 1 7 . 1 1 53 53 ILE H H 711 8.825 8.825 8.545 0.280 18183 4041 1 7 . 1 1 54 54 LYS N N 712 128.814 128.814 125.350 3.464 18183 4042 1 7 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.088 -0.333 18183 4043 1 7 . 1 1 54 54 LYS C C 712 174.850 174.850 174.495 0.355 18183 4044 1 7 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.667 -0.422 18183 4045 1 7 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.679 -0.345 18183 4046 1 7 . 1 1 54 54 LYS H H 712 8.863 8.863 8.531 0.332 18183 4047 1 7 . 1 1 55 55 PHE N N 713 130.119 130.119 125.486 4.633 18183 4048 1 7 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.752 0.116 18183 4049 1 7 . 1 1 55 55 PHE C C 713 174.223 174.223 174.267 -0.044 18183 4050 1 7 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.450 0.699 18183 4051 1 7 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.567 -1.965 18183 4052 1 7 . 1 1 55 55 PHE H H 713 9.373 9.373 8.637 0.736 18183 4053 1 7 . 1 1 56 56 ASN N N 714 125.766 125.766 123.599 2.167 18183 4054 1 7 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.224 -0.326 18183 4055 1 7 . 1 1 56 56 ASN C C 714 173.945 173.945 174.598 -0.653 18183 4056 1 7 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.892 1.114 18183 4057 1 7 . 1 1 56 56 ASN CB C 714 35.962 35.962 38.007 -2.045 18183 4058 1 7 . 1 1 56 56 ASN H H 714 8.364 8.364 8.648 -0.284 18183 4059 1 7 . 1 1 57 57 ASP N N 715 117.708 117.708 114.156 3.552 18183 4060 1 7 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.177 0.374 18183 4061 1 7 . 1 1 57 57 ASP C C 715 174.766 174.766 174.833 -0.067 18183 4062 1 7 . 1 1 57 57 ASP CA C 715 55.045 55.045 56.020 -0.975 18183 4063 1 7 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.627 -0.050 18183 4064 1 7 . 1 1 57 57 ASP H H 715 8.536 8.536 8.570 -0.034 18183 4065 1 7 . 1 1 58 58 GLU N N 716 118.715 118.715 115.733 2.982 18183 4066 1 7 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.624 0.041 18183 4067 1 7 . 1 1 58 58 GLU C C 716 173.786 173.786 174.283 -0.497 18183 4068 1 7 . 1 1 58 58 GLU CA C 716 54.942 54.942 54.930 0.012 18183 4069 1 7 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.519 -0.356 18183 4070 1 7 . 1 1 58 58 GLU H H 716 7.873 7.873 7.566 0.307 18183 4071 1 7 . 1 1 59 59 VAL N N 717 120.798 120.798 124.735 -3.937 18183 4072 1 7 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.395 -0.022 18183 4073 1 7 . 1 1 59 59 VAL C C 717 175.325 175.325 175.877 -0.552 18183 4074 1 7 . 1 1 59 59 VAL CA C 717 61.939 61.939 62.668 -0.729 18183 4075 1 7 . 1 1 59 59 VAL CB C 717 32.017 32.017 32.077 -0.060 18183 4076 1 7 . 1 1 59 59 VAL H H 717 8.473 8.473 8.592 -0.119 18183 4077 1 7 . 1 1 60 60 LYS N N 718 127.136 127.136 127.883 -0.747 18183 4078 1 7 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.499 -0.068 18183 4079 1 7 . 1 1 60 60 LYS C C 718 174.439 174.439 174.658 -0.219 18183 4080 1 7 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.729 -1.920 18183 4081 1 7 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.490 -1.385 18183 4082 1 7 . 1 1 60 60 LYS H H 718 8.903 8.903 8.891 0.012 18183 4083 1 7 . 1 1 61 61 HIS N N 719 119.956 119.956 120.389 -0.433 18183 4084 1 7 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.044 0.179 18183 4085 1 7 . 1 1 61 61 HIS C C 719 175.173 175.173 174.676 0.497 18183 4086 1 7 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.809 0.351 18183 4087 1 7 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.389 3.493 18183 4088 1 7 . 1 1 61 61 HIS H H 719 8.422 8.422 8.599 -0.177 18183 4089 1 7 . 1 1 62 62 ILE N N 720 126.629 126.629 124.017 2.612 18183 4090 1 7 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.154 -0.018 18183 4091 1 7 . 1 1 62 62 ILE C C 720 175.372 175.372 175.455 -0.083 18183 4092 1 7 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.648 -1.672 18183 4093 1 7 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.039 1.989 18183 4094 1 7 . 1 1 62 62 ILE H H 720 9.646 9.646 8.350 1.296 18183 4095 1 7 . 1 1 63 63 LYS N N 721 127.276 127.276 126.266 1.010 18183 4096 1 7 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.539 -0.312 18183 4097 1 7 . 1 1 63 63 LYS C C 721 174.877 174.877 175.880 -1.003 18183 4098 1 7 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.556 1.984 18183 4099 1 7 . 1 1 63 63 LYS CB C 721 33.049 33.049 32.682 0.367 18183 4100 1 7 . 1 1 63 63 LYS H H 721 8.741 8.741 8.414 0.327 18183 4101 1 7 . 1 1 64 64 VAL N N 722 123.343 123.343 125.349 -2.006 18183 4102 1 7 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.137 0.036 18183 4103 1 7 . 1 1 64 64 VAL C C 722 174.522 174.522 174.789 -0.267 18183 4104 1 7 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.779 -0.284 18183 4105 1 7 . 1 1 64 64 VAL CB C 722 30.392 30.392 32.630 -2.238 18183 4106 1 7 . 1 1 64 64 VAL H H 722 8.166 8.166 8.112 0.054 18183 4107 1 7 . 1 1 65 65 VAL N N 723 127.934 127.934 126.236 1.698 18183 4108 1 7 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.370 -0.224 18183 4109 1 7 . 1 1 65 65 VAL C C 723 174.212 174.212 174.562 -0.350 18183 4110 1 7 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.843 0.908 18183 4111 1 7 . 1 1 65 65 VAL CB C 723 33.279 33.279 32.967 0.312 18183 4112 1 7 . 1 1 65 65 VAL H H 723 8.469 8.469 7.969 0.500 18183 4113 1 7 . 1 1 66 66 GLU N N 724 125.632 125.632 126.196 -0.564 18183 4114 1 7 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.495 -0.339 18183 4115 1 7 . 1 1 66 66 GLU C C 724 175.573 175.573 175.446 0.127 18183 4116 1 7 . 1 1 66 66 GLU CA C 724 54.557 54.557 54.992 -0.435 18183 4117 1 7 . 1 1 66 66 GLU CB C 724 32.441 32.441 32.795 -0.354 18183 4118 1 7 . 1 1 66 66 GLU H H 724 8.518 8.518 8.887 -0.369 18183 4119 1 7 . 1 1 67 67 LYS N N 725 125.857 125.857 122.610 3.247 18183 4120 1 7 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.585 -0.133 18183 4121 1 7 . 1 1 67 67 LYS C C 725 175.624 175.624 175.085 0.539 18183 4122 1 7 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.156 0.098 18183 4123 1 7 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.001 0.040 18183 4124 1 7 . 1 1 67 67 LYS H H 725 8.671 8.671 9.107 -0.436 18183 4125 1 7 . 1 1 68 68 ASP N N 726 127.302 127.302 121.222 6.080 18183 4126 1 7 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.348 -0.158 18183 4127 1 7 . 1 1 68 68 ASP C C 726 174.291 174.291 175.849 -1.558 18183 4128 1 7 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.557 0.465 18183 4129 1 7 . 1 1 68 68 ASP CB C 726 39.391 39.391 38.773 0.618 18183 4130 1 7 . 1 1 68 68 ASP H H 726 9.485 9.485 9.010 0.475 18183 4131 1 7 . 1 1 69 69 ASN N N 727 110.250 110.250 112.995 -2.745 18183 4132 1 7 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.372 -0.149 18183 4133 1 7 . 1 1 69 69 ASN C C 727 173.825 173.825 173.479 0.346 18183 4134 1 7 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.669 0.003 18183 4135 1 7 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.356 -1.012 18183 4136 1 7 . 1 1 69 69 ASN H H 727 8.344 8.344 8.696 -0.352 18183 4137 1 7 . 1 1 70 70 TRP N N 728 119.098 119.098 116.045 3.053 18183 4138 1 7 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.218 0.098 18183 4139 1 7 . 1 1 70 70 TRP C C 728 174.989 174.989 174.621 0.368 18183 4140 1 7 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.461 0.252 18183 4141 1 7 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.494 0.849 18183 4142 1 7 . 1 1 70 70 TRP H H 728 8.050 8.050 7.808 0.242 18183 4143 1 7 . 1 1 71 71 ILE N N 729 121.706 121.706 120.944 0.762 18183 4144 1 7 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.347 0.165 18183 4145 1 7 . 1 1 71 71 ILE C C 729 175.265 175.265 173.640 1.625 18183 4146 1 7 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.575 -0.782 18183 4147 1 7 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.905 -0.814 18183 4148 1 7 . 1 1 71 71 ILE H H 729 9.298 9.298 9.395 -0.097 18183 4149 1 7 . 1 1 72 72 HIS N N 730 121.063 121.063 124.044 -2.981 18183 4150 1 7 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.122 0.029 18183 4151 1 7 . 1 1 72 72 HIS C C 730 173.774 173.774 174.256 -0.482 18183 4152 1 7 . 1 1 72 72 HIS CA C 730 56.519 56.519 54.844 1.675 18183 4153 1 7 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.217 1.292 18183 4154 1 7 . 1 1 72 72 HIS H H 730 9.024 9.024 9.004 0.020 18183 4155 1 7 . 1 1 73 73 ILE N N 731 112.363 112.363 115.191 -2.828 18183 4156 1 7 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.368 0.528 18183 4157 1 7 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.029 0.273 18183 4158 1 7 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.823 0.564 18183 4159 1 7 . 1 1 73 73 ILE H H 731 9.425 9.425 8.803 0.622 18183 4160 1 7 . 1 1 74 74 THR N N 732 117.292 117.292 113.145 4.147 18183 4161 1 7 . 1 1 74 74 THR HA H 732 4.679 4.679 4.333 0.346 18183 4162 1 7 . 1 1 74 74 THR C C 732 173.467 173.467 173.498 -0.031 18183 4163 1 7 . 1 1 74 74 THR CA C 732 59.795 59.795 60.297 -0.502 18183 4164 1 7 . 1 1 74 74 THR CB C 732 69.896 69.896 70.840 -0.944 18183 4165 1 7 . 1 1 74 74 THR H H 732 8.421 8.421 7.627 0.794 18183 4166 1 7 . 1 1 75 75 GLU N N 733 123.689 123.689 120.645 3.044 18183 4167 1 7 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.497 -1.523 18183 4168 1 7 . 1 1 75 75 GLU C C 733 175.819 175.819 176.012 -0.193 18183 4169 1 7 . 1 1 75 75 GLU CA C 733 58.898 58.898 57.136 1.762 18183 4170 1 7 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.379 -0.388 18183 4171 1 7 . 1 1 75 75 GLU H H 733 8.615 8.615 8.581 0.034 18183 4172 1 7 . 1 1 76 76 ALA N N 734 117.705 117.705 122.832 -5.127 18183 4173 1 7 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.381 -0.469 18183 4174 1 7 . 1 1 76 76 ALA C C 734 177.024 177.024 177.217 -0.193 18183 4175 1 7 . 1 1 76 76 ALA CA C 734 53.262 53.262 53.065 0.197 18183 4176 1 7 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.023 -0.226 18183 4177 1 7 . 1 1 76 76 ALA H H 734 7.654 7.654 7.837 -0.183 18183 4178 1 7 . 1 1 77 77 LYS N N 735 119.239 119.239 119.825 -0.586 18183 4179 1 7 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.486 -0.395 18183 4180 1 7 . 1 1 77 77 LYS C C 735 172.048 172.048 174.807 -2.759 18183 4181 1 7 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.636 -1.263 18183 4182 1 7 . 1 1 77 77 LYS CB C 735 33.343 33.343 34.031 -0.688 18183 4183 1 7 . 1 1 77 77 LYS H H 735 7.214 7.214 8.216 -1.002 18183 4184 1 7 . 1 1 78 78 LYS N N 736 123.194 123.194 123.473 -0.279 18183 4185 1 7 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.628 0.109 18183 4186 1 7 . 1 1 78 78 LYS C C 736 174.901 174.901 176.025 -1.124 18183 4187 1 7 . 1 1 78 78 LYS CA C 736 54.703 54.703 56.143 -1.440 18183 4188 1 7 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.704 1.389 18183 4189 1 7 . 1 1 78 78 LYS H H 736 7.850 7.850 8.251 -0.401 18183 4190 1 7 . 1 1 79 79 PHE N N 737 117.645 117.645 121.460 -3.815 18183 4191 1 7 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.743 0.183 18183 4192 1 7 . 1 1 79 79 PHE C C 737 175.500 175.500 175.868 -0.368 18183 4193 1 7 . 1 1 79 79 PHE CA C 737 56.913 56.913 56.809 0.104 18183 4194 1 7 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.794 0.674 18183 4195 1 7 . 1 1 79 79 PHE H H 737 9.079 9.079 8.920 0.159 18183 4196 1 7 . 1 1 80 80 ASP N N 738 119.264 119.264 120.195 -0.931 18183 4197 1 7 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.445 1.272 18183 4198 1 7 . 1 1 80 80 ASP C C 738 176.014 176.014 176.368 -0.354 18183 4199 1 7 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.007 -0.362 18183 4200 1 7 . 1 1 80 80 ASP CB C 738 41.720 41.720 40.654 1.066 18183 4201 1 7 . 1 1 80 80 ASP H H 738 9.332 9.332 8.622 0.710 18183 4202 1 7 . 1 1 81 81 SER N N 739 108.541 108.541 111.662 -3.121 18183 4203 1 7 . 1 1 81 81 SER HA H 739 4.649 4.649 4.670 -0.021 18183 4204 1 7 . 1 1 81 81 SER C C 739 173.719 173.719 174.546 -0.827 18183 4205 1 7 . 1 1 81 81 SER CA C 739 57.148 57.148 56.732 0.416 18183 4206 1 7 . 1 1 81 81 SER CB C 739 66.475 66.475 66.183 0.292 18183 4207 1 7 . 1 1 81 81 SER H H 739 7.379 7.379 7.639 -0.260 18183 4208 1 7 . 1 1 82 82 LEU N N 740 122.926 122.926 122.965 -0.039 18183 4209 1 7 . 1 1 82 82 LEU HA H 740 3.756 3.756 4.128 -0.372 18183 4210 1 7 . 1 1 82 82 LEU C C 740 177.267 177.267 177.865 -0.598 18183 4211 1 7 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.945 -0.111 18183 4212 1 7 . 1 1 82 82 LEU CB C 740 40.583 40.583 42.041 -1.458 18183 4213 1 7 . 1 1 82 82 LEU H H 740 8.939 8.939 8.980 -0.041 18183 4214 1 7 . 1 1 83 83 LEU N N 741 116.722 116.722 117.994 -1.272 18183 4215 1 7 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.847 -0.072 18183 4216 1 7 . 1 1 83 83 LEU C C 741 177.528 177.528 178.263 -0.735 18183 4217 1 7 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.458 -0.319 18183 4218 1 7 . 1 1 83 83 LEU CB C 741 41.677 41.677 40.961 0.716 18183 4219 1 7 . 1 1 83 83 LEU H H 741 7.814 7.814 7.879 -0.065 18183 4220 1 7 . 1 1 84 84 GLU N N 742 116.747 116.747 119.146 -2.399 18183 4221 1 7 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.047 -0.180 18183 4222 1 7 . 1 1 84 84 GLU C C 742 178.282 178.282 178.909 -0.627 18183 4223 1 7 . 1 1 84 84 GLU CA C 742 59.139 59.139 58.820 0.319 18183 4224 1 7 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.321 1.112 18183 4225 1 7 . 1 1 84 84 GLU H H 742 7.541 7.541 7.806 -0.265 18183 4226 1 7 . 1 1 85 85 LEU N N 743 122.157 122.157 120.920 1.237 18183 4227 1 7 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.417 -0.454 18183 4228 1 7 . 1 1 85 85 LEU C C 743 177.315 177.315 178.462 -1.147 18183 4229 1 7 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.353 1.386 18183 4230 1 7 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.698 0.017 18183 4231 1 7 . 1 1 85 85 LEU H H 743 7.076 7.076 7.395 -0.319 18183 4232 1 7 . 1 1 86 86 VAL N N 744 119.754 119.754 117.643 2.111 18183 4233 1 7 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.435 -0.645 18183 4234 1 7 . 1 1 86 86 VAL C C 744 177.621 177.621 178.488 -0.867 18183 4235 1 7 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.075 0.769 18183 4236 1 7 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.574 0.391 18183 4237 1 7 . 1 1 86 86 VAL H H 744 8.116 8.116 7.915 0.201 18183 4238 1 7 . 1 1 87 87 GLU N N 745 116.169 116.169 118.960 -2.791 18183 4239 1 7 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.813 -0.098 18183 4240 1 7 . 1 1 87 87 GLU C C 745 179.560 179.560 178.827 0.733 18183 4241 1 7 . 1 1 87 87 GLU CA C 745 59.322 59.322 58.982 0.340 18183 4242 1 7 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.467 -0.381 18183 4243 1 7 . 1 1 87 87 GLU H H 745 8.168 8.168 7.723 0.445 18183 4244 1 7 . 1 1 88 88 TYR N N 746 120.022 120.022 120.136 -0.114 18183 4245 1 7 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.143 -0.050 18183 4246 1 7 . 1 1 88 88 TYR C C 746 180.010 180.010 177.619 2.391 18183 4247 1 7 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.589 1.005 18183 4248 1 7 . 1 1 88 88 TYR CB C 746 38.828 38.828 39.474 -0.646 18183 4249 1 7 . 1 1 88 88 TYR H H 746 7.774 7.774 7.689 0.085 18183 4250 1 7 . 1 1 89 89 TYR N N 747 118.480 118.480 116.947 1.533 18183 4251 1 7 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.617 0.438 18183 4252 1 7 . 1 1 89 89 TYR C C 747 175.796 175.796 176.519 -0.723 18183 4253 1 7 . 1 1 89 89 TYR CA C 747 61.137 61.137 56.058 5.079 18183 4254 1 7 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.556 -0.626 18183 4255 1 7 . 1 1 89 89 TYR H H 747 7.782 7.782 7.919 -0.137 18183 4256 1 7 . 1 1 90 90 GLN N N 748 118.696 118.696 118.418 0.278 18183 4257 1 7 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.329 1.060 18183 4258 1 7 . 1 1 90 90 GLN C C 748 177.777 177.777 177.378 0.399 18183 4259 1 7 . 1 1 90 90 GLN CA C 748 57.717 57.717 58.214 -0.497 18183 4260 1 7 . 1 1 90 90 GLN CB C 748 28.520 28.520 27.506 1.014 18183 4261 1 7 . 1 1 90 90 GLN H H 748 7.838 7.838 7.699 0.139 18183 4262 1 7 . 1 1 91 91 CYS N N 749 111.118 111.118 116.721 -5.603 18183 4263 1 7 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.200 0.402 18183 4264 1 7 . 1 1 91 91 CYS C C 749 172.887 172.887 175.222 -2.335 18183 4265 1 7 . 1 1 91 91 CYS CA C 749 57.434 57.434 59.478 -2.045 18183 4266 1 7 . 1 1 91 91 CYS CB C 749 29.266 29.266 27.725 1.541 18183 4267 1 7 . 1 1 91 91 CYS H H 749 7.145 7.145 7.347 -0.202 18183 4268 1 7 . 1 1 92 92 HIS N N 750 120.227 120.227 117.003 3.224 18183 4269 1 7 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.656 -0.324 18183 4270 1 7 . 1 1 92 92 HIS C C 750 171.842 171.842 173.842 -2.000 18183 4271 1 7 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.466 0.611 18183 4272 1 7 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.858 -2.482 18183 4273 1 7 . 1 1 92 92 HIS H H 750 7.470 7.470 7.207 0.263 18183 4274 1 7 . 1 1 93 93 SER N N 751 113.120 113.120 112.947 0.173 18183 4275 1 7 . 1 1 93 93 SER HA H 751 3.782 3.782 4.593 -0.811 18183 4276 1 7 . 1 1 93 93 SER C C 751 176.653 176.653 175.333 1.320 18183 4277 1 7 . 1 1 93 93 SER CA C 751 57.812 57.812 57.618 0.194 18183 4278 1 7 . 1 1 93 93 SER CB C 751 62.783 62.783 65.191 -2.408 18183 4279 1 7 . 1 1 93 93 SER H H 751 8.404 8.404 8.348 0.056 18183 4280 1 7 . 1 1 94 94 LEU N N 752 127.293 127.293 122.399 4.894 18183 4281 1 7 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.597 -0.528 18183 4282 1 7 . 1 1 94 94 LEU C C 752 177.524 177.524 177.453 0.071 18183 4283 1 7 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.717 2.679 18183 4284 1 7 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.505 0.981 18183 4285 1 7 . 1 1 94 94 LEU H H 752 8.553 8.553 8.402 0.151 18183 4286 1 7 . 1 1 95 95 LYS N N 753 122.249 122.249 118.349 3.900 18183 4287 1 7 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.434 -0.106 18183 4288 1 7 . 1 1 95 95 LYS C C 753 176.426 176.426 177.809 -1.383 18183 4289 1 7 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.142 -0.589 18183 4290 1 7 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.477 0.697 18183 4291 1 7 . 1 1 95 95 LYS H H 753 8.303 8.303 8.291 0.012 18183 4292 1 7 . 1 1 96 96 GLU N N 754 115.401 115.401 119.575 -4.174 18183 4293 1 7 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.134 -0.049 18183 4294 1 7 . 1 1 96 96 GLU C C 754 176.838 176.838 177.863 -1.025 18183 4295 1 7 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.763 -0.666 18183 4296 1 7 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.458 0.042 18183 4297 1 7 . 1 1 96 96 GLU H H 754 7.188 7.188 8.237 -1.049 18183 4298 1 7 . 1 1 97 97 SER N N 755 113.852 113.852 112.928 0.924 18183 4299 1 7 . 1 1 97 97 SER HA H 755 4.402 4.402 4.525 -0.123 18183 4300 1 7 . 1 1 97 97 SER C C 755 172.067 172.067 174.325 -2.258 18183 4301 1 7 . 1 1 97 97 SER CA C 755 59.448 59.448 59.352 0.096 18183 4302 1 7 . 1 1 97 97 SER CB C 755 65.680 65.680 64.647 1.033 18183 4303 1 7 . 1 1 97 97 SER H H 755 7.838 7.838 7.651 0.187 18183 4304 1 7 . 1 1 98 98 PHE N N 756 121.742 121.742 121.614 0.128 18183 4305 1 7 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.805 -0.235 18183 4306 1 7 . 1 1 98 98 PHE C C 756 174.941 174.941 175.429 -0.488 18183 4307 1 7 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.066 0.682 18183 4308 1 7 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.866 0.415 18183 4309 1 7 . 1 1 98 98 PHE H H 756 8.223 8.223 8.678 -0.455 18183 4310 1 7 . 1 1 99 99 LYS N N 757 122.713 122.713 126.539 -3.826 18183 4311 1 7 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.007 0.064 18183 4312 1 7 . 1 1 99 99 LYS C C 757 176.793 176.793 177.157 -0.364 18183 4313 1 7 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.444 -0.287 18183 4314 1 7 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.509 -0.176 18183 4315 1 7 . 1 1 99 99 LYS H H 757 8.388 8.388 8.786 -0.398 18183 4316 1 7 . 1 1 100 100 GLN N N 758 114.972 114.972 114.967 0.005 18183 4317 1 7 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.332 -0.171 18183 4318 1 7 . 1 1 100 100 GLN C C 758 175.591 175.591 176.057 -0.466 18183 4319 1 7 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.426 0.043 18183 4320 1 7 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.555 -0.568 18183 4321 1 7 . 1 1 100 100 GLN H H 758 8.662 8.662 8.141 0.521 18183 4322 1 7 . 1 1 101 101 LEU N N 759 124.472 124.472 123.078 1.394 18183 4323 1 7 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.517 -0.838 18183 4324 1 7 . 1 1 101 101 LEU C C 759 173.228 173.228 174.654 -1.426 18183 4325 1 7 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.779 -2.454 18183 4326 1 7 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.486 -0.973 18183 4327 1 7 . 1 1 101 101 LEU H H 759 7.884 7.884 7.566 0.318 18183 4328 1 7 . 1 1 102 102 ASP N N 760 119.321 119.321 125.400 -6.079 18183 4329 1 7 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.852 -0.367 18183 4330 1 7 . 1 1 102 102 ASP C C 760 173.467 173.467 174.799 -1.332 18183 4331 1 7 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.652 -1.527 18183 4332 1 7 . 1 1 102 102 ASP CB C 760 39.028 39.028 41.452 -2.424 18183 4333 1 7 . 1 1 102 102 ASP H H 760 6.594 6.594 8.439 -1.845 18183 4334 1 7 . 1 1 103 103 THR N N 761 117.213 117.213 113.871 3.342 18183 4335 1 7 . 1 1 103 103 THR HA H 761 4.643 4.643 4.372 0.271 18183 4336 1 7 . 1 1 103 103 THR C C 761 172.158 172.158 172.676 -0.518 18183 4337 1 7 . 1 1 103 103 THR CA C 761 60.197 60.197 58.999 1.198 18183 4338 1 7 . 1 1 103 103 THR CB C 761 69.046 69.046 69.173 -0.127 18183 4339 1 7 . 1 1 103 103 THR H H 761 7.637 7.637 7.402 0.235 18183 4340 1 7 . 1 1 104 104 THR N N 762 114.193 114.193 114.289 -0.096 18183 4341 1 7 . 1 1 104 104 THR HA H 762 4.569 4.569 4.239 0.330 18183 4342 1 7 . 1 1 104 104 THR C C 762 175.698 175.698 173.623 2.075 18183 4343 1 7 . 1 1 104 104 THR CA C 762 60.808 60.808 59.334 1.474 18183 4344 1 7 . 1 1 104 104 THR CB C 762 70.636 70.636 71.765 -1.129 18183 4345 1 7 . 1 1 104 104 THR H H 762 7.284 7.284 7.810 -0.526 18183 4346 1 7 . 1 1 105 105 LEU N N 763 117.473 117.473 122.240 -4.767 18183 4347 1 7 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.563 -0.100 18183 4348 1 7 . 1 1 105 105 LEU C C 763 174.348 174.348 176.176 -1.828 18183 4349 1 7 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.586 -1.604 18183 4350 1 7 . 1 1 105 105 LEU CB C 763 35.683 35.683 40.035 -4.352 18183 4351 1 7 . 1 1 105 105 LEU H H 763 8.093 8.093 7.760 0.333 18183 4352 1 7 . 1 1 106 106 LYS N N 764 127.491 127.491 125.013 2.478 18183 4353 1 7 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.182 -0.224 18183 4354 1 7 . 1 1 106 106 LYS C C 764 176.734 176.734 176.513 0.221 18183 4355 1 7 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.343 2.353 18183 4356 1 7 . 1 1 106 106 LYS CB C 764 35.167 35.167 34.075 1.092 18183 4357 1 7 . 1 1 106 106 LYS H H 764 7.118 7.118 7.901 -0.783 18183 4358 1 7 . 1 1 107 107 TYR N N 765 115.804 115.804 117.716 -1.912 18183 4359 1 7 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.884 0.580 18183 4360 1 7 . 1 1 107 107 TYR C C 765 172.048 172.048 172.668 -0.620 18183 4361 1 7 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.401 -2.881 18183 4362 1 7 . 1 1 107 107 TYR CB C 765 40.376 40.376 37.918 2.458 18183 4363 1 7 . 1 1 107 107 TYR H H 765 7.848 7.848 7.491 0.357 18183 4364 1 7 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.175 -0.549 18183 4365 1 7 . 1 1 108 108 PRO C C 766 180.469 180.469 176.602 3.867 18183 4366 1 7 . 1 1 109 109 TYR N N 767 122.791 122.791 118.074 4.717 18183 4367 1 7 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.294 -0.510 18183 4368 1 7 . 1 1 109 109 TYR C C 767 174.575 174.575 176.634 -2.059 18183 4369 1 7 . 1 1 109 109 TYR CA C 767 60.986 60.986 59.897 1.089 18183 4370 1 7 . 1 1 109 109 TYR CB C 767 37.626 37.626 38.556 -0.930 18183 4371 1 7 . 1 1 109 109 TYR H H 767 8.306 8.306 8.497 -0.191 18183 4372 1 7 . 1 1 110 110 LYS N N 768 118.817 118.817 117.700 1.117 18183 4373 1 7 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.882 0.021 18183 4374 1 7 . 1 1 110 110 LYS C C 768 176.259 176.259 177.058 -0.799 18183 4375 1 7 . 1 1 110 110 LYS CA C 768 56.595 56.595 57.545 -0.950 18183 4376 1 7 . 1 1 110 110 LYS CB C 768 32.605 32.605 30.920 1.685 18183 4377 1 7 . 1 1 110 110 LYS H H 768 6.785 6.785 7.236 -0.451 18183 4378 1 7 . 1 1 111 111 SER N N 769 114.539 114.539 116.968 -2.429 18183 4379 1 7 . 1 1 111 111 SER HA H 769 4.317 4.317 4.232 0.085 18183 4380 1 7 . 1 1 111 111 SER C C 769 174.092 174.092 175.077 -0.985 18183 4381 1 7 . 1 1 111 111 SER CA C 769 58.647 58.647 59.908 -1.261 18183 4382 1 7 . 1 1 111 111 SER CB C 769 63.883 63.883 63.220 0.663 18183 4383 1 7 . 1 1 111 111 SER H H 769 7.765 7.765 8.020 -0.255 18183 4384 1 7 . 1 1 112 112 ARG N N 770 122.458 122.458 121.732 0.726 18183 4385 1 7 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.298 0.024 18183 4386 1 7 . 1 1 112 112 ARG C C 770 175.130 175.130 175.338 -0.208 18183 4387 1 7 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.839 -0.175 18183 4388 1 7 . 1 1 112 112 ARG CB C 770 30.880 30.880 29.331 1.549 18183 4389 1 7 . 1 1 112 112 ARG H H 770 8.082 8.082 8.025 0.057 18183 4390 1 8 . 1 1 2 2 ARG N N 660 123.546 123.546 122.841 0.705 18183 4391 1 8 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.580 -0.004 18183 4392 1 8 . 1 1 2 2 ARG CA C 660 53.850 53.850 55.226 -1.376 18183 4393 1 8 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.718 -0.371 18183 4394 1 8 . 1 1 2 2 ARG H H 660 8.258 8.258 7.863 0.395 18183 4395 1 8 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.551 -0.195 18183 4396 1 8 . 1 1 4 4 PRO C C 662 177.047 177.047 176.473 0.574 18183 4397 1 8 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.767 0.454 18183 4398 1 8 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.369 -0.394 18183 4399 1 8 . 1 1 5 5 SER N N 663 116.108 116.108 120.199 -4.091 18183 4400 1 8 . 1 1 5 5 SER HA H 663 4.335 4.335 4.669 -0.334 18183 4401 1 8 . 1 1 5 5 SER C C 663 174.708 174.708 174.111 0.597 18183 4402 1 8 . 1 1 5 5 SER CA C 663 58.639 58.639 58.072 0.567 18183 4403 1 8 . 1 1 5 5 SER CB C 663 63.849 63.849 63.063 0.786 18183 4404 1 8 . 1 1 5 5 SER H H 663 8.385 8.385 8.503 -0.118 18183 4405 1 8 . 1 1 6 6 ARG N N 664 122.132 122.132 124.936 -2.804 18183 4406 1 8 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.338 -0.019 18183 4407 1 8 . 1 1 6 6 ARG C C 664 175.951 175.951 175.101 0.850 18183 4408 1 8 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.449 -0.518 18183 4409 1 8 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.918 -0.085 18183 4410 1 8 . 1 1 6 6 ARG H H 664 8.347 8.347 8.535 -0.188 18183 4411 1 8 . 1 1 7 7 GLU N N 665 122.268 122.268 117.933 4.335 18183 4412 1 8 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.433 -0.171 18183 4413 1 8 . 1 1 7 7 GLU C C 665 175.809 175.809 175.054 0.755 18183 4414 1 8 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.172 -0.002 18183 4415 1 8 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.425 -0.517 18183 4416 1 8 . 1 1 7 7 GLU H H 665 8.336 8.336 8.431 -0.095 18183 4417 1 8 . 1 1 8 8 ILE N N 666 123.984 123.984 122.922 1.062 18183 4418 1 8 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.108 -0.328 18183 4419 1 8 . 1 1 8 8 ILE C C 666 174.325 174.325 175.920 -1.595 18183 4420 1 8 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.074 0.735 18183 4421 1 8 . 1 1 8 8 ILE CB C 666 39.233 39.233 39.291 -0.058 18183 4422 1 8 . 1 1 8 8 ILE H H 666 7.920 7.920 8.322 -0.402 18183 4423 1 8 . 1 1 9 9 ASP N N 667 124.228 124.228 127.764 -3.536 18183 4424 1 8 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.422 0.146 18183 4425 1 8 . 1 1 9 9 ASP C C 667 177.001 177.001 176.501 0.500 18183 4426 1 8 . 1 1 9 9 ASP CA C 667 51.991 51.991 54.234 -2.244 18183 4427 1 8 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.978 0.332 18183 4428 1 8 . 1 1 9 9 ASP H H 667 8.072 8.072 8.638 -0.566 18183 4429 1 8 . 1 1 10 10 TYR N N 668 125.329 125.329 122.169 3.160 18183 4430 1 8 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.024 0.104 18183 4431 1 8 . 1 1 10 10 TYR C C 668 175.901 175.901 177.301 -1.400 18183 4432 1 8 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.603 0.954 18183 4433 1 8 . 1 1 10 10 TYR CB C 668 36.166 36.166 36.995 -0.829 18183 4434 1 8 . 1 1 10 10 TYR H H 668 8.493 8.493 7.334 1.159 18183 4435 1 8 . 1 1 11 11 THR N N 669 108.533 108.533 110.237 -1.704 18183 4436 1 8 . 1 1 11 11 THR HA H 669 4.082 4.082 2.936 1.146 18183 4437 1 8 . 1 1 11 11 THR C C 669 175.170 175.170 175.040 0.130 18183 4438 1 8 . 1 1 11 11 THR CA C 669 64.701 64.701 63.911 0.790 18183 4439 1 8 . 1 1 11 11 THR CB C 669 68.924 68.924 68.052 0.872 18183 4440 1 8 . 1 1 11 11 THR H H 669 7.948 7.948 7.550 0.398 18183 4441 1 8 . 1 1 12 12 ALA N N 670 121.252 121.252 122.499 -1.247 18183 4442 1 8 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.084 -0.061 18183 4443 1 8 . 1 1 12 12 ALA C C 670 177.747 177.747 177.745 0.002 18183 4444 1 8 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.959 -0.460 18183 4445 1 8 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.793 0.434 18183 4446 1 8 . 1 1 12 12 ALA H H 670 7.366 7.366 7.342 0.024 18183 4447 1 8 . 1 1 13 13 TYR N N 671 117.895 117.895 118.156 -0.261 18183 4448 1 8 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.196 0.056 18183 4449 1 8 . 1 1 13 13 TYR C C 671 176.545 176.545 175.586 0.959 18183 4450 1 8 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.760 -0.288 18183 4451 1 8 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.197 -0.638 18183 4452 1 8 . 1 1 13 13 TYR H H 671 7.490 7.490 7.387 0.103 18183 4453 1 8 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.312 -0.012 18183 4454 1 8 . 1 1 14 14 PRO C C 672 173.638 173.638 175.996 -2.358 18183 4455 1 8 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.256 -0.505 18183 4456 1 8 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.285 -1.040 18183 4457 1 8 . 1 1 15 15 TRP N N 673 109.940 109.940 114.742 -4.802 18183 4458 1 8 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.917 -0.211 18183 4459 1 8 . 1 1 15 15 TRP C C 673 175.471 175.471 174.402 1.069 18183 4460 1 8 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.484 -1.635 18183 4461 1 8 . 1 1 15 15 TRP CB C 673 32.436 32.436 27.923 4.513 18183 4462 1 8 . 1 1 15 15 TRP H H 673 6.184 6.184 7.130 -0.946 18183 4463 1 8 . 1 1 16 16 PHE N N 674 123.228 123.228 122.532 0.696 18183 4464 1 8 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.745 0.356 18183 4465 1 8 . 1 1 16 16 PHE C C 674 174.684 174.684 173.006 1.678 18183 4466 1 8 . 1 1 16 16 PHE CA C 674 59.566 59.566 56.816 2.750 18183 4467 1 8 . 1 1 16 16 PHE CB C 674 39.968 39.968 42.285 -2.317 18183 4468 1 8 . 1 1 16 16 PHE H H 674 7.585 7.585 7.485 0.100 18183 4469 1 8 . 1 1 17 17 ALA N N 675 130.573 130.573 126.458 4.115 18183 4470 1 8 . 1 1 17 17 ALA HA H 675 4.842 4.842 5.269 -0.427 18183 4471 1 8 . 1 1 17 17 ALA C C 675 177.161 177.161 176.425 0.736 18183 4472 1 8 . 1 1 17 17 ALA CA C 675 51.168 51.168 50.079 1.089 18183 4473 1 8 . 1 1 17 17 ALA CB C 675 21.968 21.968 22.428 -0.460 18183 4474 1 8 . 1 1 17 17 ALA H H 675 9.004 9.004 8.353 0.651 18183 4475 1 8 . 1 1 18 18 GLY C C 676 174.000 174.000 174.270 -0.270 18183 4476 1 8 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.236 2.254 18183 4477 1 8 . 1 1 19 19 ASN N N 677 124.182 124.182 119.562 4.620 18183 4478 1 8 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.850 0.156 18183 4479 1 8 . 1 1 19 19 ASN C C 677 174.916 174.916 174.638 0.278 18183 4480 1 8 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.373 -0.768 18183 4481 1 8 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.744 -0.679 18183 4482 1 8 . 1 1 19 19 ASN H H 677 8.657 8.657 8.648 0.009 18183 4483 1 8 . 1 1 20 20 MET N N 678 122.806 122.806 122.041 0.765 18183 4484 1 8 . 1 1 20 20 MET HA H 678 4.173 4.173 4.559 -0.386 18183 4485 1 8 . 1 1 20 20 MET C C 678 175.317 175.317 176.543 -1.226 18183 4486 1 8 . 1 1 20 20 MET CA C 678 56.274 56.274 54.362 1.912 18183 4487 1 8 . 1 1 20 20 MET CB C 678 35.581 35.581 33.918 1.663 18183 4488 1 8 . 1 1 20 20 MET H H 678 7.158 7.158 7.825 -0.667 18183 4489 1 8 . 1 1 21 21 GLU N N 679 124.655 124.655 121.994 2.661 18183 4490 1 8 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.420 -0.219 18183 4491 1 8 . 1 1 21 21 GLU C C 679 178.105 178.105 177.799 0.306 18183 4492 1 8 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.593 -0.577 18183 4493 1 8 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.837 0.052 18183 4494 1 8 . 1 1 21 21 GLU H H 679 8.687 8.687 8.630 0.057 18183 4495 1 8 . 1 1 22 22 ARG N N 680 125.764 125.764 121.357 4.407 18183 4496 1 8 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.937 -0.657 18183 4497 1 8 . 1 1 22 22 ARG C C 680 177.559 177.559 178.682 -1.123 18183 4498 1 8 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.169 0.885 18183 4499 1 8 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.135 -0.267 18183 4500 1 8 . 1 1 22 22 ARG H H 680 9.191 9.191 8.604 0.587 18183 4501 1 8 . 1 1 23 23 GLN N N 681 118.109 118.109 119.370 -1.261 18183 4502 1 8 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.127 -0.134 18183 4503 1 8 . 1 1 23 23 GLN C C 681 178.252 178.252 178.276 -0.024 18183 4504 1 8 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.021 0.578 18183 4505 1 8 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.965 -0.200 18183 4506 1 8 . 1 1 23 23 GLN H H 681 9.085 9.085 8.506 0.579 18183 4507 1 8 . 1 1 24 24 GLN N N 682 118.128 118.128 117.641 0.487 18183 4508 1 8 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.069 -0.018 18183 4509 1 8 . 1 1 24 24 GLN C C 682 178.328 178.328 178.642 -0.314 18183 4510 1 8 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.645 -0.880 18183 4511 1 8 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.307 -0.075 18183 4512 1 8 . 1 1 24 24 GLN H H 682 7.287 7.287 8.614 -1.327 18183 4513 1 8 . 1 1 25 25 THR N N 683 116.436 116.436 115.828 0.608 18183 4514 1 8 . 1 1 25 25 THR HA H 683 3.641 3.641 3.882 -0.241 18183 4515 1 8 . 1 1 25 25 THR CA C 683 67.504 67.504 66.749 0.755 18183 4516 1 8 . 1 1 25 25 THR CB C 683 67.667 67.667 68.075 -0.408 18183 4517 1 8 . 1 1 25 25 THR H H 683 7.813 7.813 7.842 -0.029 18183 4518 1 8 . 1 1 26 26 ASP N N 684 123.084 123.084 120.863 2.221 18183 4519 1 8 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.479 -0.251 18183 4520 1 8 . 1 1 26 26 ASP C C 684 178.426 178.426 177.449 0.977 18183 4521 1 8 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.059 0.961 18183 4522 1 8 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.178 -1.352 18183 4523 1 8 . 1 1 26 26 ASP H H 684 8.384 8.384 7.806 0.578 18183 4524 1 8 . 1 1 27 27 ASN N N 685 116.068 116.068 116.999 -0.931 18183 4525 1 8 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.545 -0.226 18183 4526 1 8 . 1 1 27 27 ASN C C 685 177.207 177.207 177.740 -0.533 18183 4527 1 8 . 1 1 27 27 ASN CA C 685 55.747 55.747 54.980 0.767 18183 4528 1 8 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.578 -0.381 18183 4529 1 8 . 1 1 27 27 ASN H H 685 7.667 7.667 8.167 -0.500 18183 4530 1 8 . 1 1 28 28 LEU N N 686 120.906 120.906 119.328 1.578 18183 4531 1 8 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.252 -0.083 18183 4532 1 8 . 1 1 28 28 LEU C C 686 179.394 179.394 178.010 1.384 18183 4533 1 8 . 1 1 28 28 LEU CA C 686 57.821 57.821 58.192 -0.371 18183 4534 1 8 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.892 -0.201 18183 4535 1 8 . 1 1 28 28 LEU H H 686 7.993 7.993 7.886 0.107 18183 4536 1 8 . 1 1 29 29 LEU N N 687 114.941 114.941 114.673 0.268 18183 4537 1 8 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.745 -0.694 18183 4538 1 8 . 1 1 29 29 LEU C C 687 178.742 178.742 178.487 0.255 18183 4539 1 8 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.322 2.115 18183 4540 1 8 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.815 2.027 18183 4541 1 8 . 1 1 29 29 LEU H H 687 8.166 8.166 7.583 0.583 18183 4542 1 8 . 1 1 30 30 LYS N N 688 118.446 118.446 119.690 -1.244 18183 4543 1 8 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.127 -0.414 18183 4544 1 8 . 1 1 30 30 LYS C C 688 177.260 177.260 176.729 0.531 18183 4545 1 8 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.546 1.932 18183 4546 1 8 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.110 -0.026 18183 4547 1 8 . 1 1 30 30 LYS H H 688 7.635 7.635 7.557 0.078 18183 4548 1 8 . 1 1 31 31 SER N N 689 111.039 111.039 113.026 -1.987 18183 4549 1 8 . 1 1 31 31 SER HA H 689 4.417 4.417 4.607 -0.190 18183 4550 1 8 . 1 1 31 31 SER C C 689 174.495 174.495 173.785 0.710 18183 4551 1 8 . 1 1 31 31 SER CA C 689 58.387 58.387 57.352 1.034 18183 4552 1 8 . 1 1 31 31 SER CB C 689 63.281 63.281 63.120 0.161 18183 4553 1 8 . 1 1 31 31 SER H H 689 7.709 7.709 8.142 -0.433 18183 4554 1 8 . 1 1 32 32 HIS N N 690 120.253 120.253 121.909 -1.656 18183 4555 1 8 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.666 -0.090 18183 4556 1 8 . 1 1 32 32 HIS C C 690 173.913 173.913 173.586 0.327 18183 4557 1 8 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.143 -1.067 18183 4558 1 8 . 1 1 32 32 HIS CB C 690 31.853 31.853 32.976 -1.123 18183 4559 1 8 . 1 1 32 32 HIS H H 690 7.647 7.647 7.466 0.181 18183 4560 1 8 . 1 1 33 33 ALA N N 691 120.403 120.403 122.821 -2.418 18183 4561 1 8 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.366 -0.088 18183 4562 1 8 . 1 1 33 33 ALA C C 691 179.503 179.503 177.467 2.036 18183 4563 1 8 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.850 -0.132 18183 4564 1 8 . 1 1 33 33 ALA CB C 691 20.269 20.269 19.966 0.303 18183 4565 1 8 . 1 1 33 33 ALA H H 691 8.452 8.452 8.746 -0.294 18183 4566 1 8 . 1 1 34 34 SER N N 692 117.464 117.464 117.131 0.333 18183 4567 1 8 . 1 1 34 34 SER HA H 692 4.047 4.047 4.323 -0.276 18183 4568 1 8 . 1 1 34 34 SER C C 692 175.307 175.307 175.740 -0.433 18183 4569 1 8 . 1 1 34 34 SER CA C 692 60.434 60.434 60.905 -0.471 18183 4570 1 8 . 1 1 34 34 SER CB C 692 63.132 63.132 62.897 0.235 18183 4571 1 8 . 1 1 34 34 SER H H 692 9.002 9.002 8.637 0.365 18183 4572 1 8 . 1 1 35 35 GLY N N 693 113.364 113.364 113.965 -0.601 18183 4573 1 8 . 1 1 35 35 GLY C C 693 174.739 174.739 174.279 0.460 18183 4574 1 8 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.070 -0.220 18183 4575 1 8 . 1 1 35 35 GLY H H 693 9.873 9.873 9.482 0.391 18183 4576 1 8 . 1 1 36 36 THR N N 694 120.932 120.932 121.059 -0.127 18183 4577 1 8 . 1 1 36 36 THR HA H 694 5.923 5.923 5.210 0.713 18183 4578 1 8 . 1 1 36 36 THR C C 694 173.253 173.253 173.721 -0.468 18183 4579 1 8 . 1 1 36 36 THR CA C 694 63.429 63.429 64.141 -0.712 18183 4580 1 8 . 1 1 36 36 THR CB C 694 68.091 68.091 69.048 -0.957 18183 4581 1 8 . 1 1 36 36 THR H H 694 8.240 8.240 7.717 0.523 18183 4582 1 8 . 1 1 37 37 TYR N N 695 123.567 123.567 124.833 -1.266 18183 4583 1 8 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.371 0.605 18183 4584 1 8 . 1 1 37 37 TYR C C 695 171.737 171.737 173.069 -1.332 18183 4585 1 8 . 1 1 37 37 TYR CA C 695 55.235 55.235 55.011 0.224 18183 4586 1 8 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.251 3.038 18183 4587 1 8 . 1 1 37 37 TYR H H 695 8.765 8.765 8.916 -0.151 18183 4588 1 8 . 1 1 38 38 LEU N N 696 115.294 115.294 116.436 -1.142 18183 4589 1 8 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.121 -0.018 18183 4590 1 8 . 1 1 38 38 LEU C C 696 174.368 174.368 174.547 -0.179 18183 4591 1 8 . 1 1 38 38 LEU CA C 696 53.832 53.832 53.910 -0.078 18183 4592 1 8 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.285 0.009 18183 4593 1 8 . 1 1 38 38 LEU H H 696 9.008 9.008 8.422 0.586 18183 4594 1 8 . 1 1 39 39 ILE N N 697 122.087 122.087 119.254 2.833 18183 4595 1 8 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.809 0.484 18183 4596 1 8 . 1 1 39 39 ILE C C 697 173.625 173.625 174.840 -1.215 18183 4597 1 8 . 1 1 39 39 ILE CA C 697 59.806 59.806 58.797 1.010 18183 4598 1 8 . 1 1 39 39 ILE CB C 697 38.766 38.766 39.475 -0.709 18183 4599 1 8 . 1 1 39 39 ILE H H 697 9.276 9.276 7.945 1.331 18183 4600 1 8 . 1 1 40 40 ARG N N 698 123.307 123.307 123.316 -0.009 18183 4601 1 8 . 1 1 40 40 ARG HA H 698 5.144 5.144 5.151 -0.007 18183 4602 1 8 . 1 1 40 40 ARG C C 698 173.789 173.789 175.094 -1.305 18183 4603 1 8 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.541 -1.370 18183 4604 1 8 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.552 -0.126 18183 4605 1 8 . 1 1 40 40 ARG H H 698 9.032 9.032 8.927 0.105 18183 4606 1 8 . 1 1 41 41 GLU N N 699 122.502 122.502 122.476 0.026 18183 4607 1 8 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.983 0.008 18183 4608 1 8 . 1 1 41 41 GLU C C 699 175.788 175.788 176.200 -0.412 18183 4609 1 8 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.323 -0.484 18183 4610 1 8 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.392 0.531 18183 4611 1 8 . 1 1 41 41 GLU H H 699 8.453 8.453 8.194 0.259 18183 4612 1 8 . 1 1 42 42 ARG N N 700 125.039 125.039 118.910 6.129 18183 4613 1 8 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.658 -0.004 18183 4614 1 8 . 1 1 42 42 ARG H H 700 8.844 8.844 7.854 0.990 18183 4615 1 8 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.394 -0.179 18183 4616 1 8 . 1 1 43 43 PRO C C 701 176.485 176.485 175.527 0.958 18183 4617 1 8 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.488 0.542 18183 4618 1 8 . 1 1 43 43 PRO CB C 701 31.450 31.450 30.906 0.544 18183 4619 1 8 . 1 1 44 44 ALA N N 702 120.718 120.718 128.075 -7.357 18183 4620 1 8 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.552 -0.309 18183 4621 1 8 . 1 1 44 44 ALA C C 702 176.924 176.924 177.290 -0.366 18183 4622 1 8 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.440 0.628 18183 4623 1 8 . 1 1 44 44 ALA CB C 702 19.427 19.427 21.165 -1.738 18183 4624 1 8 . 1 1 44 44 ALA H H 702 8.217 8.217 7.960 0.257 18183 4625 1 8 . 1 1 45 45 GLU N N 703 118.107 118.107 120.392 -2.285 18183 4626 1 8 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.202 0.103 18183 4627 1 8 . 1 1 45 45 GLU C C 703 176.308 176.308 177.713 -1.405 18183 4628 1 8 . 1 1 45 45 GLU H H 703 7.638 7.638 8.925 -1.287 18183 4629 1 8 . 1 1 46 46 ALA N N 704 122.161 122.161 120.935 1.226 18183 4630 1 8 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.387 -0.252 18183 4631 1 8 . 1 1 46 46 ALA C C 704 178.439 178.439 177.655 0.784 18183 4632 1 8 . 1 1 46 46 ALA H H 704 8.596 8.596 7.931 0.665 18183 4633 1 8 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.637 0.009 18183 4634 1 8 . 1 1 47 47 GLU C C 705 175.340 175.340 176.148 -0.808 18183 4635 1 8 . 1 1 47 47 GLU H H 705 7.642 7.642 8.340 -0.698 18183 4636 1 8 . 1 1 48 48 ARG N N 706 122.871 122.871 120.578 2.293 18183 4637 1 8 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.485 0.155 18183 4638 1 8 . 1 1 48 48 ARG C C 706 175.645 175.645 174.632 1.013 18183 4639 1 8 . 1 1 48 48 ARG H H 706 8.163 8.163 7.607 0.556 18183 4640 1 8 . 1 1 49 49 PHE N N 707 113.719 113.719 120.492 -6.773 18183 4641 1 8 . 1 1 49 49 PHE HA H 707 5.784 5.784 5.070 0.714 18183 4642 1 8 . 1 1 49 49 PHE C C 707 174.536 174.536 173.173 1.363 18183 4643 1 8 . 1 1 49 49 PHE H H 707 8.370 8.370 7.364 1.006 18183 4644 1 8 . 1 1 50 50 ALA N N 708 119.650 119.650 124.911 -5.261 18183 4645 1 8 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.125 -0.005 18183 4646 1 8 . 1 1 50 50 ALA C C 708 175.964 175.964 175.509 0.455 18183 4647 1 8 . 1 1 50 50 ALA CA C 708 51.013 51.013 49.700 1.313 18183 4648 1 8 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.931 -1.051 18183 4649 1 8 . 1 1 50 50 ALA H H 708 8.868 8.868 9.438 -0.570 18183 4650 1 8 . 1 1 51 51 ILE N N 709 121.077 121.077 120.115 0.962 18183 4651 1 8 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.636 0.011 18183 4652 1 8 . 1 1 51 51 ILE C C 709 175.049 175.049 175.313 -0.264 18183 4653 1 8 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.325 0.174 18183 4654 1 8 . 1 1 51 51 ILE CB C 709 39.996 39.996 39.058 0.938 18183 4655 1 8 . 1 1 51 51 ILE H H 709 9.130 9.130 8.273 0.857 18183 4656 1 8 . 1 1 52 52 SER N N 710 125.122 125.122 123.226 1.896 18183 4657 1 8 . 1 1 52 52 SER HA H 710 5.454 5.454 4.820 0.634 18183 4658 1 8 . 1 1 52 52 SER C C 710 172.024 172.024 173.261 -1.237 18183 4659 1 8 . 1 1 52 52 SER CA C 710 57.614 57.614 58.385 -0.771 18183 4660 1 8 . 1 1 52 52 SER CB C 710 64.989 64.989 63.681 1.308 18183 4661 1 8 . 1 1 52 52 SER H H 710 9.204 9.204 8.383 0.821 18183 4662 1 8 . 1 1 53 53 ILE N N 711 121.512 121.512 124.942 -3.430 18183 4663 1 8 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.770 0.369 18183 4664 1 8 . 1 1 53 53 ILE C C 711 173.093 173.093 173.818 -0.725 18183 4665 1 8 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.065 -1.432 18183 4666 1 8 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.755 0.068 18183 4667 1 8 . 1 1 53 53 ILE H H 711 8.825 8.825 7.859 0.966 18183 4668 1 8 . 1 1 54 54 LYS N N 712 128.814 128.814 126.789 2.025 18183 4669 1 8 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.069 -0.314 18183 4670 1 8 . 1 1 54 54 LYS C C 712 174.850 174.850 174.798 0.052 18183 4671 1 8 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.364 -0.119 18183 4672 1 8 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.758 -0.424 18183 4673 1 8 . 1 1 54 54 LYS H H 712 8.863 8.863 8.951 -0.088 18183 4674 1 8 . 1 1 55 55 PHE N N 713 130.119 130.119 124.441 5.678 18183 4675 1 8 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.714 0.154 18183 4676 1 8 . 1 1 55 55 PHE C C 713 174.223 174.223 174.505 -0.282 18183 4677 1 8 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.143 1.006 18183 4678 1 8 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.285 -1.683 18183 4679 1 8 . 1 1 55 55 PHE H H 713 9.373 9.373 8.206 1.167 18183 4680 1 8 . 1 1 56 56 ASN N N 714 125.766 125.766 123.431 2.335 18183 4681 1 8 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.148 -0.250 18183 4682 1 8 . 1 1 56 56 ASN C C 714 173.945 173.945 174.471 -0.526 18183 4683 1 8 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.059 0.947 18183 4684 1 8 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.629 -1.667 18183 4685 1 8 . 1 1 56 56 ASN H H 714 8.364 8.364 8.692 -0.328 18183 4686 1 8 . 1 1 57 57 ASP N N 715 117.708 117.708 113.439 4.269 18183 4687 1 8 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.284 0.267 18183 4688 1 8 . 1 1 57 57 ASP C C 715 174.766 174.766 175.518 -0.752 18183 4689 1 8 . 1 1 57 57 ASP CA C 715 55.045 55.045 56.003 -0.958 18183 4690 1 8 . 1 1 57 57 ASP CB C 715 40.577 40.577 39.899 0.678 18183 4691 1 8 . 1 1 57 57 ASP H H 715 8.536 8.536 8.377 0.159 18183 4692 1 8 . 1 1 58 58 GLU N N 716 118.715 118.715 116.458 2.257 18183 4693 1 8 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.653 0.012 18183 4694 1 8 . 1 1 58 58 GLU C C 716 173.786 173.786 174.369 -0.583 18183 4695 1 8 . 1 1 58 58 GLU CA C 716 54.942 54.942 54.716 0.226 18183 4696 1 8 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.384 -0.221 18183 4697 1 8 . 1 1 58 58 GLU H H 716 7.873 7.873 7.841 0.032 18183 4698 1 8 . 1 1 59 59 VAL N N 717 120.798 120.798 120.279 0.519 18183 4699 1 8 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.500 -0.128 18183 4700 1 8 . 1 1 59 59 VAL C C 717 175.325 175.325 174.678 0.647 18183 4701 1 8 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.215 0.724 18183 4702 1 8 . 1 1 59 59 VAL CB C 717 32.017 32.017 33.010 -0.993 18183 4703 1 8 . 1 1 59 59 VAL H H 717 8.473 8.473 8.416 0.057 18183 4704 1 8 . 1 1 60 60 LYS N N 718 127.136 127.136 125.889 1.247 18183 4705 1 8 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.441 -0.010 18183 4706 1 8 . 1 1 60 60 LYS C C 718 174.439 174.439 174.686 -0.247 18183 4707 1 8 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.291 -1.482 18183 4708 1 8 . 1 1 60 60 LYS CB C 718 33.105 33.105 35.076 -1.971 18183 4709 1 8 . 1 1 60 60 LYS H H 718 8.903 8.903 8.390 0.513 18183 4710 1 8 . 1 1 61 61 HIS N N 719 119.956 119.956 119.560 0.396 18183 4711 1 8 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.733 0.490 18183 4712 1 8 . 1 1 61 61 HIS C C 719 175.173 175.173 173.766 1.407 18183 4713 1 8 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.016 0.144 18183 4714 1 8 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.823 3.059 18183 4715 1 8 . 1 1 61 61 HIS H H 719 8.422 8.422 8.355 0.067 18183 4716 1 8 . 1 1 62 62 ILE N N 720 126.629 126.629 124.577 2.052 18183 4717 1 8 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.240 -0.104 18183 4718 1 8 . 1 1 62 62 ILE C C 720 175.372 175.372 175.866 -0.494 18183 4719 1 8 . 1 1 62 62 ILE CA C 720 59.976 59.976 59.442 0.534 18183 4720 1 8 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.059 1.969 18183 4721 1 8 . 1 1 62 62 ILE H H 720 9.646 9.646 8.019 1.627 18183 4722 1 8 . 1 1 63 63 LYS N N 721 127.276 127.276 123.743 3.533 18183 4723 1 8 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.602 -0.375 18183 4724 1 8 . 1 1 63 63 LYS C C 721 174.877 174.877 174.856 0.021 18183 4725 1 8 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.194 2.346 18183 4726 1 8 . 1 1 63 63 LYS CB C 721 33.049 33.049 34.266 -1.217 18183 4727 1 8 . 1 1 63 63 LYS H H 721 8.741 8.741 8.316 0.425 18183 4728 1 8 . 1 1 64 64 VAL N N 722 123.343 123.343 124.736 -1.393 18183 4729 1 8 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.485 -0.312 18183 4730 1 8 . 1 1 64 64 VAL C C 722 174.522 174.522 174.817 -0.295 18183 4731 1 8 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.272 0.223 18183 4732 1 8 . 1 1 64 64 VAL CB C 722 30.392 30.392 32.894 -2.502 18183 4733 1 8 . 1 1 64 64 VAL H H 722 8.166 8.166 8.975 -0.809 18183 4734 1 8 . 1 1 65 65 VAL N N 723 127.934 127.934 126.934 1.000 18183 4735 1 8 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.495 -0.349 18183 4736 1 8 . 1 1 65 65 VAL C C 723 174.212 174.212 174.774 -0.562 18183 4737 1 8 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.053 1.698 18183 4738 1 8 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.865 -0.587 18183 4739 1 8 . 1 1 65 65 VAL H H 723 8.469 8.469 8.052 0.417 18183 4740 1 8 . 1 1 66 66 GLU N N 724 125.632 125.632 126.096 -0.464 18183 4741 1 8 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.287 -0.131 18183 4742 1 8 . 1 1 66 66 GLU C C 724 175.573 175.573 175.015 0.558 18183 4743 1 8 . 1 1 66 66 GLU CA C 724 54.557 54.557 54.532 0.025 18183 4744 1 8 . 1 1 66 66 GLU CB C 724 32.441 32.441 32.524 -0.083 18183 4745 1 8 . 1 1 66 66 GLU H H 724 8.518 8.518 8.168 0.350 18183 4746 1 8 . 1 1 67 67 LYS N N 725 125.857 125.857 124.582 1.275 18183 4747 1 8 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.614 -0.162 18183 4748 1 8 . 1 1 67 67 LYS C C 725 175.624 175.624 175.546 0.078 18183 4749 1 8 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.892 0.362 18183 4750 1 8 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.961 -0.920 18183 4751 1 8 . 1 1 67 67 LYS H H 725 8.671 8.671 8.925 -0.254 18183 4752 1 8 . 1 1 68 68 ASP N N 726 127.302 127.302 122.661 4.641 18183 4753 1 8 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.319 -0.128 18183 4754 1 8 . 1 1 68 68 ASP C C 726 174.291 174.291 175.950 -1.659 18183 4755 1 8 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.830 0.192 18183 4756 1 8 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.239 0.152 18183 4757 1 8 . 1 1 68 68 ASP H H 726 9.485 9.485 9.139 0.346 18183 4758 1 8 . 1 1 69 69 ASN N N 727 110.250 110.250 113.940 -3.690 18183 4759 1 8 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.458 -0.235 18183 4760 1 8 . 1 1 69 69 ASN C C 727 173.825 173.825 173.808 0.017 18183 4761 1 8 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.965 -0.293 18183 4762 1 8 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.464 -1.120 18183 4763 1 8 . 1 1 69 69 ASN H H 727 8.344 8.344 8.668 -0.324 18183 4764 1 8 . 1 1 70 70 TRP N N 728 119.098 119.098 115.911 3.187 18183 4765 1 8 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.101 0.215 18183 4766 1 8 . 1 1 70 70 TRP C C 728 174.989 174.989 174.893 0.096 18183 4767 1 8 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.519 0.193 18183 4768 1 8 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.451 0.892 18183 4769 1 8 . 1 1 70 70 TRP H H 728 8.050 8.050 7.901 0.149 18183 4770 1 8 . 1 1 71 71 ILE N N 729 121.706 121.706 120.652 1.054 18183 4771 1 8 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.211 0.301 18183 4772 1 8 . 1 1 71 71 ILE C C 729 175.265 175.265 173.770 1.495 18183 4773 1 8 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.187 -0.393 18183 4774 1 8 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.637 -0.546 18183 4775 1 8 . 1 1 71 71 ILE H H 729 9.298 9.298 9.256 0.042 18183 4776 1 8 . 1 1 72 72 HIS N N 730 121.063 121.063 123.282 -2.219 18183 4777 1 8 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.140 0.011 18183 4778 1 8 . 1 1 72 72 HIS C C 730 173.774 173.774 174.718 -0.944 18183 4779 1 8 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.535 0.984 18183 4780 1 8 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.739 0.770 18183 4781 1 8 . 1 1 72 72 HIS H H 730 9.024 9.024 8.592 0.432 18183 4782 1 8 . 1 1 73 73 ILE N N 731 112.363 112.363 116.593 -4.230 18183 4783 1 8 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.388 0.508 18183 4784 1 8 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.701 -0.399 18183 4785 1 8 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.584 0.803 18183 4786 1 8 . 1 1 73 73 ILE H H 731 9.425 9.425 8.728 0.697 18183 4787 1 8 . 1 1 74 74 THR N N 732 117.292 117.292 112.064 5.228 18183 4788 1 8 . 1 1 74 74 THR HA H 732 4.679 4.679 4.567 0.112 18183 4789 1 8 . 1 1 74 74 THR C C 732 173.467 173.467 173.687 -0.220 18183 4790 1 8 . 1 1 74 74 THR CA C 732 59.795 59.795 60.410 -0.615 18183 4791 1 8 . 1 1 74 74 THR CB C 732 69.896 69.896 71.567 -1.670 18183 4792 1 8 . 1 1 74 74 THR H H 732 8.421 8.421 7.640 0.781 18183 4793 1 8 . 1 1 75 75 GLU N N 733 123.689 123.689 120.762 2.927 18183 4794 1 8 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.398 -1.424 18183 4795 1 8 . 1 1 75 75 GLU C C 733 175.819 175.819 176.606 -0.787 18183 4796 1 8 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.155 2.743 18183 4797 1 8 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.339 -0.348 18183 4798 1 8 . 1 1 75 75 GLU H H 733 8.615 8.615 8.760 -0.145 18183 4799 1 8 . 1 1 76 76 ALA N N 734 117.705 117.705 120.798 -3.093 18183 4800 1 8 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.392 -0.480 18183 4801 1 8 . 1 1 76 76 ALA C C 734 177.024 177.024 177.407 -0.383 18183 4802 1 8 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.657 0.605 18183 4803 1 8 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.641 0.156 18183 4804 1 8 . 1 1 76 76 ALA H H 734 7.654 7.654 8.033 -0.379 18183 4805 1 8 . 1 1 77 77 LYS N N 735 119.239 119.239 118.016 1.223 18183 4806 1 8 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.391 -0.300 18183 4807 1 8 . 1 1 77 77 LYS C C 735 172.048 172.048 174.311 -2.263 18183 4808 1 8 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.917 -1.544 18183 4809 1 8 . 1 1 77 77 LYS CB C 735 33.343 33.343 35.806 -2.463 18183 4810 1 8 . 1 1 77 77 LYS H H 735 7.214 7.214 8.107 -0.893 18183 4811 1 8 . 1 1 78 78 LYS N N 736 123.194 123.194 123.014 0.180 18183 4812 1 8 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.764 -0.027 18183 4813 1 8 . 1 1 78 78 LYS C C 736 174.901 174.901 176.099 -1.198 18183 4814 1 8 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.551 -0.848 18183 4815 1 8 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.656 1.437 18183 4816 1 8 . 1 1 78 78 LYS H H 736 7.850 7.850 8.057 -0.207 18183 4817 1 8 . 1 1 79 79 PHE N N 737 117.645 117.645 120.826 -3.181 18183 4818 1 8 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.666 0.260 18183 4819 1 8 . 1 1 79 79 PHE C C 737 175.500 175.500 175.436 0.064 18183 4820 1 8 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.414 -0.501 18183 4821 1 8 . 1 1 79 79 PHE CB C 737 43.468 43.468 43.174 0.294 18183 4822 1 8 . 1 1 79 79 PHE H H 737 9.079 9.079 8.801 0.278 18183 4823 1 8 . 1 1 80 80 ASP N N 738 119.264 119.264 121.631 -2.367 18183 4824 1 8 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.542 1.175 18183 4825 1 8 . 1 1 80 80 ASP C C 738 176.014 176.014 176.429 -0.415 18183 4826 1 8 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.831 -1.186 18183 4827 1 8 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.335 0.385 18183 4828 1 8 . 1 1 80 80 ASP H H 738 9.332 9.332 8.597 0.735 18183 4829 1 8 . 1 1 81 81 SER N N 739 108.541 108.541 112.626 -4.085 18183 4830 1 8 . 1 1 81 81 SER HA H 739 4.649 4.649 4.734 -0.085 18183 4831 1 8 . 1 1 81 81 SER C C 739 173.719 173.719 174.193 -0.474 18183 4832 1 8 . 1 1 81 81 SER CA C 739 57.148 57.148 57.009 0.139 18183 4833 1 8 . 1 1 81 81 SER CB C 739 66.475 66.475 65.974 0.501 18183 4834 1 8 . 1 1 81 81 SER H H 739 7.379 7.379 7.827 -0.448 18183 4835 1 8 . 1 1 82 82 LEU N N 740 122.926 122.926 124.446 -1.520 18183 4836 1 8 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.919 -0.163 18183 4837 1 8 . 1 1 82 82 LEU C C 740 177.267 177.267 177.303 -0.036 18183 4838 1 8 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.602 0.232 18183 4839 1 8 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.672 -1.089 18183 4840 1 8 . 1 1 82 82 LEU H H 740 8.939 8.939 8.614 0.325 18183 4841 1 8 . 1 1 83 83 LEU N N 741 116.722 116.722 117.543 -0.821 18183 4842 1 8 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.966 -0.191 18183 4843 1 8 . 1 1 83 83 LEU C C 741 177.528 177.528 178.022 -0.494 18183 4844 1 8 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.200 -0.061 18183 4845 1 8 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.288 0.389 18183 4846 1 8 . 1 1 83 83 LEU H H 741 7.814 7.814 7.444 0.370 18183 4847 1 8 . 1 1 84 84 GLU N N 742 116.747 116.747 119.995 -3.248 18183 4848 1 8 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.014 -0.147 18183 4849 1 8 . 1 1 84 84 GLU C C 742 178.282 178.282 178.860 -0.578 18183 4850 1 8 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.875 -0.736 18183 4851 1 8 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.232 1.201 18183 4852 1 8 . 1 1 84 84 GLU H H 742 7.541 7.541 7.596 -0.055 18183 4853 1 8 . 1 1 85 85 LEU N N 743 122.157 122.157 120.363 1.794 18183 4854 1 8 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.522 -0.559 18183 4855 1 8 . 1 1 85 85 LEU C C 743 177.315 177.315 178.259 -0.944 18183 4856 1 8 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.503 1.236 18183 4857 1 8 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.432 0.283 18183 4858 1 8 . 1 1 85 85 LEU H H 743 7.076 7.076 7.228 -0.152 18183 4859 1 8 . 1 1 86 86 VAL N N 744 119.754 119.754 118.549 1.205 18183 4860 1 8 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.256 -0.466 18183 4861 1 8 . 1 1 86 86 VAL C C 744 177.621 177.621 178.387 -0.766 18183 4862 1 8 . 1 1 86 86 VAL CA C 744 66.844 66.844 65.705 1.139 18183 4863 1 8 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.268 0.697 18183 4864 1 8 . 1 1 86 86 VAL H H 744 8.116 8.116 7.325 0.791 18183 4865 1 8 . 1 1 87 87 GLU N N 745 116.169 116.169 119.443 -3.274 18183 4866 1 8 . 1 1 87 87 GLU HA H 745 3.715 3.715 4.116 -0.401 18183 4867 1 8 . 1 1 87 87 GLU C C 745 179.560 179.560 179.342 0.218 18183 4868 1 8 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.408 -0.086 18183 4869 1 8 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.614 -0.528 18183 4870 1 8 . 1 1 87 87 GLU H H 745 8.168 8.168 8.032 0.136 18183 4871 1 8 . 1 1 88 88 TYR N N 746 120.022 120.022 120.132 -0.110 18183 4872 1 8 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.231 -0.138 18183 4873 1 8 . 1 1 88 88 TYR C C 746 180.010 180.010 178.459 1.551 18183 4874 1 8 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.833 0.761 18183 4875 1 8 . 1 1 88 88 TYR CB C 746 38.828 38.828 39.045 -0.218 18183 4876 1 8 . 1 1 88 88 TYR H H 746 7.774 7.774 8.231 -0.457 18183 4877 1 8 . 1 1 89 89 TYR N N 747 118.480 118.480 117.151 1.329 18183 4878 1 8 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.496 0.559 18183 4879 1 8 . 1 1 89 89 TYR C C 747 175.796 175.796 178.458 -2.662 18183 4880 1 8 . 1 1 89 89 TYR CA C 747 61.137 61.137 60.725 0.412 18183 4881 1 8 . 1 1 89 89 TYR CB C 747 36.930 36.930 38.077 -1.147 18183 4882 1 8 . 1 1 89 89 TYR H H 747 7.782 7.782 8.517 -0.735 18183 4883 1 8 . 1 1 90 90 GLN N N 748 118.696 118.696 119.239 -0.543 18183 4884 1 8 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.825 0.564 18183 4885 1 8 . 1 1 90 90 GLN C C 748 177.777 177.777 176.453 1.324 18183 4886 1 8 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.143 -1.426 18183 4887 1 8 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.697 -0.177 18183 4888 1 8 . 1 1 90 90 GLN H H 748 7.838 7.838 8.053 -0.215 18183 4889 1 8 . 1 1 91 91 CYS N N 749 111.118 111.118 115.418 -4.300 18183 4890 1 8 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.460 0.142 18183 4891 1 8 . 1 1 91 91 CYS C C 749 172.887 172.887 173.397 -0.510 18183 4892 1 8 . 1 1 91 91 CYS CA C 749 57.434 57.434 57.850 -0.416 18183 4893 1 8 . 1 1 91 91 CYS CB C 749 29.266 29.266 28.067 1.200 18183 4894 1 8 . 1 1 91 91 CYS H H 749 7.145 7.145 7.758 -0.613 18183 4895 1 8 . 1 1 92 92 HIS N N 750 120.227 120.227 119.330 0.897 18183 4896 1 8 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.616 -0.284 18183 4897 1 8 . 1 1 92 92 HIS C C 750 171.842 171.842 173.719 -1.877 18183 4898 1 8 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.440 0.637 18183 4899 1 8 . 1 1 92 92 HIS CB C 750 29.376 29.376 32.041 -2.665 18183 4900 1 8 . 1 1 92 92 HIS H H 750 7.470 7.470 7.798 -0.328 18183 4901 1 8 . 1 1 93 93 SER N N 751 113.120 113.120 118.623 -5.503 18183 4902 1 8 . 1 1 93 93 SER HA H 751 3.782 3.782 4.387 -0.605 18183 4903 1 8 . 1 1 93 93 SER C C 751 176.653 176.653 175.451 1.202 18183 4904 1 8 . 1 1 93 93 SER CA C 751 57.812 57.812 59.278 -1.466 18183 4905 1 8 . 1 1 93 93 SER CB C 751 62.783 62.783 64.132 -1.349 18183 4906 1 8 . 1 1 93 93 SER H H 751 8.404 8.404 8.754 -0.350 18183 4907 1 8 . 1 1 94 94 LEU N N 752 127.293 127.293 124.196 3.097 18183 4908 1 8 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.544 -0.475 18183 4909 1 8 . 1 1 94 94 LEU C C 752 177.524 177.524 177.644 -0.120 18183 4910 1 8 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.939 2.457 18183 4911 1 8 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.212 1.275 18183 4912 1 8 . 1 1 94 94 LEU H H 752 8.553 8.553 8.421 0.132 18183 4913 1 8 . 1 1 95 95 LYS N N 753 122.249 122.249 119.903 2.346 18183 4914 1 8 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.547 -0.219 18183 4915 1 8 . 1 1 95 95 LYS C C 753 176.426 176.426 178.185 -1.759 18183 4916 1 8 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.691 -1.137 18183 4917 1 8 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.733 0.442 18183 4918 1 8 . 1 1 95 95 LYS H H 753 8.303 8.303 8.312 -0.009 18183 4919 1 8 . 1 1 96 96 GLU N N 754 115.401 115.401 119.533 -4.132 18183 4920 1 8 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.085 -0.000 18183 4921 1 8 . 1 1 96 96 GLU C C 754 176.838 176.838 177.631 -0.793 18183 4922 1 8 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.600 -0.503 18183 4923 1 8 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.268 0.232 18183 4924 1 8 . 1 1 96 96 GLU H H 754 7.188 7.188 8.291 -1.103 18183 4925 1 8 . 1 1 97 97 SER N N 755 113.852 113.852 113.159 0.693 18183 4926 1 8 . 1 1 97 97 SER HA H 755 4.402 4.402 4.330 0.072 18183 4927 1 8 . 1 1 97 97 SER C C 755 172.067 172.067 174.190 -2.123 18183 4928 1 8 . 1 1 97 97 SER CA C 755 59.448 59.448 60.300 -0.852 18183 4929 1 8 . 1 1 97 97 SER CB C 755 65.680 65.680 64.486 1.194 18183 4930 1 8 . 1 1 97 97 SER H H 755 7.838 7.838 8.217 -0.379 18183 4931 1 8 . 1 1 98 98 PHE N N 756 121.742 121.742 121.149 0.593 18183 4932 1 8 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.761 -0.191 18183 4933 1 8 . 1 1 98 98 PHE C C 756 174.941 174.941 175.309 -0.368 18183 4934 1 8 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.965 -0.217 18183 4935 1 8 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.681 -0.400 18183 4936 1 8 . 1 1 98 98 PHE H H 756 8.223 8.223 8.603 -0.380 18183 4937 1 8 . 1 1 99 99 LYS N N 757 122.713 122.713 125.507 -2.794 18183 4938 1 8 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.227 -0.156 18183 4939 1 8 . 1 1 99 99 LYS C C 757 176.793 176.793 177.152 -0.359 18183 4940 1 8 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.898 0.259 18183 4941 1 8 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.253 0.080 18183 4942 1 8 . 1 1 99 99 LYS H H 757 8.388 8.388 8.716 -0.328 18183 4943 1 8 . 1 1 100 100 GLN N N 758 114.972 114.972 117.362 -2.390 18183 4944 1 8 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.431 -0.270 18183 4945 1 8 . 1 1 100 100 GLN C C 758 175.591 175.591 175.122 0.469 18183 4946 1 8 . 1 1 100 100 GLN CA C 758 56.469 56.469 55.393 1.076 18183 4947 1 8 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.336 -0.349 18183 4948 1 8 . 1 1 100 100 GLN H H 758 8.662 8.662 8.247 0.415 18183 4949 1 8 . 1 1 101 101 LEU N N 759 124.472 124.472 120.688 3.784 18183 4950 1 8 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.708 -1.029 18183 4951 1 8 . 1 1 101 101 LEU C C 759 173.228 173.228 174.291 -1.063 18183 4952 1 8 . 1 1 101 101 LEU CA C 759 52.325 52.325 55.270 -2.945 18183 4953 1 8 . 1 1 101 101 LEU CB C 759 41.512 41.512 44.511 -2.999 18183 4954 1 8 . 1 1 101 101 LEU H H 759 7.884 7.884 7.905 -0.021 18183 4955 1 8 . 1 1 102 102 ASP N N 760 119.321 119.321 125.218 -5.897 18183 4956 1 8 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.850 -0.365 18183 4957 1 8 . 1 1 102 102 ASP C C 760 173.467 173.467 174.992 -1.525 18183 4958 1 8 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.088 -0.963 18183 4959 1 8 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.605 -1.577 18183 4960 1 8 . 1 1 102 102 ASP H H 760 6.594 6.594 8.624 -2.030 18183 4961 1 8 . 1 1 103 103 THR N N 761 117.213 117.213 115.273 1.940 18183 4962 1 8 . 1 1 103 103 THR HA H 761 4.643 4.643 4.216 0.427 18183 4963 1 8 . 1 1 103 103 THR C C 761 172.158 172.158 172.254 -0.096 18183 4964 1 8 . 1 1 103 103 THR CA C 761 60.197 60.197 59.977 0.220 18183 4965 1 8 . 1 1 103 103 THR CB C 761 69.046 69.046 69.605 -0.559 18183 4966 1 8 . 1 1 103 103 THR H H 761 7.637 7.637 7.318 0.319 18183 4967 1 8 . 1 1 104 104 THR N N 762 114.193 114.193 113.107 1.086 18183 4968 1 8 . 1 1 104 104 THR HA H 762 4.569 4.569 4.368 0.201 18183 4969 1 8 . 1 1 104 104 THR C C 762 175.698 175.698 173.224 2.474 18183 4970 1 8 . 1 1 104 104 THR CA C 762 60.808 60.808 59.852 0.956 18183 4971 1 8 . 1 1 104 104 THR CB C 762 70.636 70.636 71.310 -0.674 18183 4972 1 8 . 1 1 104 104 THR H H 762 7.284 7.284 7.850 -0.566 18183 4973 1 8 . 1 1 105 105 LEU N N 763 117.473 117.473 121.986 -4.513 18183 4974 1 8 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.897 -0.434 18183 4975 1 8 . 1 1 105 105 LEU C C 763 174.348 174.348 176.800 -2.452 18183 4976 1 8 . 1 1 105 105 LEU CA C 763 53.982 53.982 52.925 1.057 18183 4977 1 8 . 1 1 105 105 LEU CB C 763 35.683 35.683 38.061 -2.378 18183 4978 1 8 . 1 1 105 105 LEU H H 763 8.093 8.093 8.398 -0.305 18183 4979 1 8 . 1 1 106 106 LYS N N 764 127.491 127.491 121.985 5.506 18183 4980 1 8 . 1 1 106 106 LYS HA H 764 3.958 3.958 3.773 0.185 18183 4981 1 8 . 1 1 106 106 LYS C C 764 176.734 176.734 176.502 0.232 18183 4982 1 8 . 1 1 106 106 LYS CA C 764 59.696 59.696 58.782 0.914 18183 4983 1 8 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.209 1.958 18183 4984 1 8 . 1 1 106 106 LYS H H 764 7.118 7.118 7.735 -0.617 18183 4985 1 8 . 1 1 107 107 TYR N N 765 115.804 115.804 115.219 0.585 18183 4986 1 8 . 1 1 107 107 TYR HA H 765 5.464 5.464 5.002 0.462 18183 4987 1 8 . 1 1 107 107 TYR C C 765 172.048 172.048 172.770 -0.722 18183 4988 1 8 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.380 -2.861 18183 4989 1 8 . 1 1 107 107 TYR CB C 765 40.376 40.376 39.064 1.312 18183 4990 1 8 . 1 1 107 107 TYR H H 765 7.848 7.848 7.724 0.124 18183 4991 1 8 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.121 -0.495 18183 4992 1 8 . 1 1 108 108 PRO C C 766 180.469 180.469 176.418 4.051 18183 4993 1 8 . 1 1 109 109 TYR N N 767 122.791 122.791 114.625 8.166 18183 4994 1 8 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.673 -0.889 18183 4995 1 8 . 1 1 109 109 TYR C C 767 174.575 174.575 175.130 -0.555 18183 4996 1 8 . 1 1 109 109 TYR CA C 767 60.986 60.986 56.175 4.811 18183 4997 1 8 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.624 0.002 18183 4998 1 8 . 1 1 109 109 TYR H H 767 8.306 8.306 8.491 -0.185 18183 4999 1 8 . 1 1 110 110 LYS N N 768 118.817 118.817 121.796 -2.979 18183 5000 1 8 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.064 -0.161 18183 5001 1 8 . 1 1 110 110 LYS C C 768 176.259 176.259 177.393 -1.134 18183 5002 1 8 . 1 1 110 110 LYS CA C 768 56.595 56.595 57.057 -0.462 18183 5003 1 8 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.208 0.397 18183 5004 1 8 . 1 1 110 110 LYS H H 768 6.785 6.785 8.087 -1.302 18183 5005 1 8 . 1 1 111 111 SER N N 769 114.539 114.539 113.901 0.638 18183 5006 1 8 . 1 1 111 111 SER HA H 769 4.317 4.317 4.504 -0.187 18183 5007 1 8 . 1 1 111 111 SER C C 769 174.092 174.092 174.671 -0.579 18183 5008 1 8 . 1 1 111 111 SER CA C 769 58.647 58.647 58.613 0.034 18183 5009 1 8 . 1 1 111 111 SER CB C 769 63.883 63.883 63.920 -0.037 18183 5010 1 8 . 1 1 111 111 SER H H 769 7.765 7.765 8.113 -0.348 18183 5011 1 8 . 1 1 112 112 ARG N N 770 122.458 122.458 123.791 -1.333 18183 5012 1 8 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.181 0.141 18183 5013 1 8 . 1 1 112 112 ARG C C 770 175.130 175.130 175.635 -0.505 18183 5014 1 8 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.572 -0.908 18183 5015 1 8 . 1 1 112 112 ARG CB C 770 30.880 30.880 30.198 0.681 18183 5016 1 8 . 1 1 112 112 ARG H H 770 8.082 8.082 8.123 -0.041 18183 5017 1 9 . 1 1 2 2 ARG N N 660 123.546 123.546 121.779 1.767 18183 5018 1 9 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.534 0.042 18183 5019 1 9 . 1 1 2 2 ARG CA C 660 53.850 53.850 55.408 -1.558 18183 5020 1 9 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.459 -0.112 18183 5021 1 9 . 1 1 2 2 ARG H H 660 8.258 8.258 8.508 -0.250 18183 5022 1 9 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.455 -0.099 18183 5023 1 9 . 1 1 4 4 PRO C C 662 177.047 177.047 176.628 0.419 18183 5024 1 9 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.904 0.317 18183 5025 1 9 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.524 -0.549 18183 5026 1 9 . 1 1 5 5 SER N N 663 116.108 116.108 117.407 -1.299 18183 5027 1 9 . 1 1 5 5 SER HA H 663 4.335 4.335 4.350 -0.015 18183 5028 1 9 . 1 1 5 5 SER C C 663 174.708 174.708 174.776 -0.068 18183 5029 1 9 . 1 1 5 5 SER CA C 663 58.639 58.639 58.454 0.185 18183 5030 1 9 . 1 1 5 5 SER CB C 663 63.849 63.849 62.690 1.159 18183 5031 1 9 . 1 1 5 5 SER H H 663 8.385 8.385 8.356 0.029 18183 5032 1 9 . 1 1 6 6 ARG N N 664 122.132 122.132 125.387 -3.255 18183 5033 1 9 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.328 -0.009 18183 5034 1 9 . 1 1 6 6 ARG C C 664 175.951 175.951 175.414 0.537 18183 5035 1 9 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.035 -0.104 18183 5036 1 9 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.878 -0.045 18183 5037 1 9 . 1 1 6 6 ARG H H 664 8.347 8.347 8.068 0.279 18183 5038 1 9 . 1 1 7 7 GLU N N 665 122.268 122.268 120.572 1.696 18183 5039 1 9 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.350 -0.088 18183 5040 1 9 . 1 1 7 7 GLU C C 665 175.809 175.809 175.075 0.734 18183 5041 1 9 . 1 1 7 7 GLU CA C 665 56.170 56.170 54.899 1.271 18183 5042 1 9 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.879 -0.971 18183 5043 1 9 . 1 1 7 7 GLU H H 665 8.336 8.336 8.218 0.118 18183 5044 1 9 . 1 1 8 8 ILE N N 666 123.984 123.984 120.185 3.799 18183 5045 1 9 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.016 -0.236 18183 5046 1 9 . 1 1 8 8 ILE C C 666 174.325 174.325 176.061 -1.736 18183 5047 1 9 . 1 1 8 8 ILE CA C 666 60.809 60.809 61.339 -0.530 18183 5048 1 9 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.256 0.977 18183 5049 1 9 . 1 1 8 8 ILE H H 666 7.920 7.920 8.081 -0.161 18183 5050 1 9 . 1 1 9 9 ASP N N 667 124.228 124.228 125.920 -1.692 18183 5051 1 9 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.364 0.204 18183 5052 1 9 . 1 1 9 9 ASP C C 667 177.001 177.001 176.061 0.940 18183 5053 1 9 . 1 1 9 9 ASP CA C 667 51.991 51.991 54.446 -2.454 18183 5054 1 9 . 1 1 9 9 ASP CB C 667 40.310 40.310 38.630 1.680 18183 5055 1 9 . 1 1 9 9 ASP H H 667 8.072 8.072 8.366 -0.294 18183 5056 1 9 . 1 1 10 10 TYR N N 668 125.329 125.329 120.770 4.559 18183 5057 1 9 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.072 0.056 18183 5058 1 9 . 1 1 10 10 TYR C C 668 175.901 175.901 177.150 -1.249 18183 5059 1 9 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.218 0.339 18183 5060 1 9 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.054 -0.888 18183 5061 1 9 . 1 1 10 10 TYR H H 668 8.493 8.493 8.128 0.365 18183 5062 1 9 . 1 1 11 11 THR N N 669 108.533 108.533 113.163 -4.630 18183 5063 1 9 . 1 1 11 11 THR HA H 669 4.082 4.082 4.108 -0.026 18183 5064 1 9 . 1 1 11 11 THR C C 669 175.170 175.170 175.298 -0.128 18183 5065 1 9 . 1 1 11 11 THR CA C 669 64.701 64.701 65.316 -0.615 18183 5066 1 9 . 1 1 11 11 THR CB C 669 68.924 68.924 68.448 0.476 18183 5067 1 9 . 1 1 11 11 THR H H 669 7.948 7.948 7.968 -0.020 18183 5068 1 9 . 1 1 12 12 ALA N N 670 121.252 121.252 122.780 -1.528 18183 5069 1 9 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.032 -0.009 18183 5070 1 9 . 1 1 12 12 ALA C C 670 177.747 177.747 177.696 0.051 18183 5071 1 9 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.047 -0.548 18183 5072 1 9 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.537 0.690 18183 5073 1 9 . 1 1 12 12 ALA H H 670 7.366 7.366 7.258 0.108 18183 5074 1 9 . 1 1 13 13 TYR N N 671 117.895 117.895 117.714 0.181 18183 5075 1 9 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.246 0.006 18183 5076 1 9 . 1 1 13 13 TYR C C 671 176.545 176.545 175.225 1.320 18183 5077 1 9 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.865 0.606 18183 5078 1 9 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.175 -0.616 18183 5079 1 9 . 1 1 13 13 TYR H H 671 7.490 7.490 7.120 0.370 18183 5080 1 9 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.391 -0.091 18183 5081 1 9 . 1 1 14 14 PRO C C 672 173.638 173.638 175.720 -2.082 18183 5082 1 9 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.493 0.258 18183 5083 1 9 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.086 -0.842 18183 5084 1 9 . 1 1 15 15 TRP N N 673 109.940 109.940 114.219 -4.279 18183 5085 1 9 . 1 1 15 15 TRP HA H 673 4.706 4.706 5.063 -0.357 18183 5086 1 9 . 1 1 15 15 TRP C C 673 175.471 175.471 174.339 1.132 18183 5087 1 9 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.677 -1.827 18183 5088 1 9 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.553 3.883 18183 5089 1 9 . 1 1 15 15 TRP H H 673 6.184 6.184 7.186 -1.002 18183 5090 1 9 . 1 1 16 16 PHE N N 674 123.228 123.228 121.267 1.961 18183 5091 1 9 . 1 1 16 16 PHE HA H 674 5.101 5.101 5.355 -0.254 18183 5092 1 9 . 1 1 16 16 PHE C C 674 174.684 174.684 174.346 0.338 18183 5093 1 9 . 1 1 16 16 PHE CA C 674 59.566 59.566 57.005 2.561 18183 5094 1 9 . 1 1 16 16 PHE CB C 674 39.968 39.968 42.087 -2.119 18183 5095 1 9 . 1 1 16 16 PHE H H 674 7.585 7.585 7.361 0.224 18183 5096 1 9 . 1 1 17 17 ALA N N 675 130.573 130.573 127.669 2.904 18183 5097 1 9 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.433 0.409 18183 5098 1 9 . 1 1 17 17 ALA C C 675 177.161 177.161 176.068 1.093 18183 5099 1 9 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.740 -0.573 18183 5100 1 9 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.733 0.235 18183 5101 1 9 . 1 1 17 17 ALA H H 675 9.004 9.004 7.705 1.299 18183 5102 1 9 . 1 1 18 18 GLY C C 676 174.000 174.000 173.090 0.910 18183 5103 1 9 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.511 1.979 18183 5104 1 9 . 1 1 19 19 ASN N N 677 124.182 124.182 121.005 3.177 18183 5105 1 9 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.818 0.188 18183 5106 1 9 . 1 1 19 19 ASN C C 677 174.916 174.916 175.275 -0.359 18183 5107 1 9 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.153 0.452 18183 5108 1 9 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.956 -0.892 18183 5109 1 9 . 1 1 19 19 ASN H H 677 8.657 8.657 8.455 0.202 18183 5110 1 9 . 1 1 20 20 MET N N 678 122.806 122.806 119.374 3.432 18183 5111 1 9 . 1 1 20 20 MET HA H 678 4.173 4.173 4.479 -0.306 18183 5112 1 9 . 1 1 20 20 MET C C 678 175.317 175.317 176.032 -0.715 18183 5113 1 9 . 1 1 20 20 MET CA C 678 56.274 56.274 55.913 0.361 18183 5114 1 9 . 1 1 20 20 MET CB C 678 35.581 35.581 33.693 1.888 18183 5115 1 9 . 1 1 20 20 MET H H 678 7.158 7.158 7.401 -0.243 18183 5116 1 9 . 1 1 21 21 GLU N N 679 124.655 124.655 119.029 5.626 18183 5117 1 9 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.572 -0.371 18183 5118 1 9 . 1 1 21 21 GLU C C 679 178.105 178.105 177.010 1.095 18183 5119 1 9 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.047 0.969 18183 5120 1 9 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.811 0.080 18183 5121 1 9 . 1 1 21 21 GLU H H 679 8.687 8.687 8.710 -0.023 18183 5122 1 9 . 1 1 22 22 ARG N N 680 125.764 125.764 123.428 2.336 18183 5123 1 9 . 1 1 22 22 ARG HA H 680 3.280 3.280 4.006 -0.726 18183 5124 1 9 . 1 1 22 22 ARG C C 680 177.559 177.559 178.021 -0.462 18183 5125 1 9 . 1 1 22 22 ARG CA C 680 61.054 61.054 59.967 1.087 18183 5126 1 9 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.226 -0.358 18183 5127 1 9 . 1 1 22 22 ARG H H 680 9.191 9.191 8.804 0.387 18183 5128 1 9 . 1 1 23 23 GLN N N 681 118.109 118.109 118.520 -0.411 18183 5129 1 9 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.065 -0.072 18183 5130 1 9 . 1 1 23 23 GLN C C 681 178.252 178.252 178.457 -0.205 18183 5131 1 9 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.049 0.550 18183 5132 1 9 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.496 0.269 18183 5133 1 9 . 1 1 23 23 GLN H H 681 9.085 9.085 8.580 0.505 18183 5134 1 9 . 1 1 24 24 GLN N N 682 118.128 118.128 117.276 0.852 18183 5135 1 9 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.116 -0.065 18183 5136 1 9 . 1 1 24 24 GLN C C 682 178.328 178.328 178.656 -0.328 18183 5137 1 9 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.531 -0.766 18183 5138 1 9 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.345 -0.113 18183 5139 1 9 . 1 1 24 24 GLN H H 682 7.287 7.287 8.633 -1.346 18183 5140 1 9 . 1 1 25 25 THR N N 683 116.436 116.436 117.645 -1.209 18183 5141 1 9 . 1 1 25 25 THR HA H 683 3.641 3.641 3.999 -0.358 18183 5142 1 9 . 1 1 25 25 THR CA C 683 67.504 67.504 68.175 -0.672 18183 5143 1 9 . 1 1 25 25 THR CB C 683 67.667 67.667 68.403 -0.736 18183 5144 1 9 . 1 1 25 25 THR H H 683 7.813 7.813 7.898 -0.085 18183 5145 1 9 . 1 1 26 26 ASP N N 684 123.084 123.084 120.065 3.019 18183 5146 1 9 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.391 -0.163 18183 5147 1 9 . 1 1 26 26 ASP C C 684 178.426 178.426 177.155 1.271 18183 5148 1 9 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.628 0.392 18183 5149 1 9 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.277 -1.451 18183 5150 1 9 . 1 1 26 26 ASP H H 684 8.384 8.384 8.332 0.052 18183 5151 1 9 . 1 1 27 27 ASN N N 685 116.068 116.068 117.006 -0.938 18183 5152 1 9 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.651 -0.332 18183 5153 1 9 . 1 1 27 27 ASN C C 685 177.207 177.207 178.225 -1.018 18183 5154 1 9 . 1 1 27 27 ASN CA C 685 55.747 55.747 54.718 1.030 18183 5155 1 9 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.893 -0.696 18183 5156 1 9 . 1 1 27 27 ASN H H 685 7.667 7.667 7.896 -0.229 18183 5157 1 9 . 1 1 28 28 LEU N N 686 120.906 120.906 121.196 -0.290 18183 5158 1 9 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.295 -0.126 18183 5159 1 9 . 1 1 28 28 LEU C C 686 179.394 179.394 178.205 1.189 18183 5160 1 9 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.788 0.033 18183 5161 1 9 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.234 0.458 18183 5162 1 9 . 1 1 28 28 LEU H H 686 7.993 7.993 8.107 -0.114 18183 5163 1 9 . 1 1 29 29 LEU N N 687 114.941 114.941 114.718 0.223 18183 5164 1 9 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.632 -0.581 18183 5165 1 9 . 1 1 29 29 LEU C C 687 178.742 178.742 176.533 2.209 18183 5166 1 9 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.221 2.216 18183 5167 1 9 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.812 2.030 18183 5168 1 9 . 1 1 29 29 LEU H H 687 8.166 8.166 7.790 0.376 18183 5169 1 9 . 1 1 30 30 LYS N N 688 118.446 118.446 117.343 1.103 18183 5170 1 9 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.125 -0.412 18183 5171 1 9 . 1 1 30 30 LYS C C 688 177.260 177.260 177.161 0.099 18183 5172 1 9 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.167 2.311 18183 5173 1 9 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.189 -0.105 18183 5174 1 9 . 1 1 30 30 LYS H H 688 7.635 7.635 7.281 0.354 18183 5175 1 9 . 1 1 31 31 SER N N 689 111.039 111.039 111.982 -0.943 18183 5176 1 9 . 1 1 31 31 SER HA H 689 4.417 4.417 4.567 -0.150 18183 5177 1 9 . 1 1 31 31 SER C C 689 174.495 174.495 174.338 0.157 18183 5178 1 9 . 1 1 31 31 SER CA C 689 58.387 58.387 57.708 0.679 18183 5179 1 9 . 1 1 31 31 SER CB C 689 63.281 63.281 64.084 -0.803 18183 5180 1 9 . 1 1 31 31 SER H H 689 7.709 7.709 8.102 -0.393 18183 5181 1 9 . 1 1 32 32 HIS N N 690 120.253 120.253 121.050 -0.797 18183 5182 1 9 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.460 0.116 18183 5183 1 9 . 1 1 32 32 HIS C C 690 173.913 173.913 174.725 -0.812 18183 5184 1 9 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.245 -1.169 18183 5185 1 9 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.595 1.258 18183 5186 1 9 . 1 1 32 32 HIS H H 690 7.647 7.647 7.834 -0.187 18183 5187 1 9 . 1 1 33 33 ALA N N 691 120.403 120.403 122.377 -1.974 18183 5188 1 9 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.493 -0.215 18183 5189 1 9 . 1 1 33 33 ALA C C 691 179.503 179.503 177.434 2.069 18183 5190 1 9 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.767 -0.049 18183 5191 1 9 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.003 0.266 18183 5192 1 9 . 1 1 33 33 ALA H H 691 8.452 8.452 8.681 -0.229 18183 5193 1 9 . 1 1 34 34 SER N N 692 117.464 117.464 114.164 3.300 18183 5194 1 9 . 1 1 34 34 SER HA H 692 4.047 4.047 4.687 -0.640 18183 5195 1 9 . 1 1 34 34 SER C C 692 175.307 175.307 174.614 0.693 18183 5196 1 9 . 1 1 34 34 SER CA C 692 60.434 60.434 58.461 1.973 18183 5197 1 9 . 1 1 34 34 SER CB C 692 63.132 63.132 62.051 1.081 18183 5198 1 9 . 1 1 34 34 SER H H 692 9.002 9.002 8.592 0.410 18183 5199 1 9 . 1 1 35 35 GLY N N 693 113.364 113.364 109.095 4.269 18183 5200 1 9 . 1 1 35 35 GLY C C 693 174.739 174.739 172.632 2.107 18183 5201 1 9 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.952 -1.102 18183 5202 1 9 . 1 1 35 35 GLY H H 693 9.873 9.873 8.480 1.393 18183 5203 1 9 . 1 1 36 36 THR N N 694 120.932 120.932 118.361 2.571 18183 5204 1 9 . 1 1 36 36 THR HA H 694 5.923 5.923 5.655 0.268 18183 5205 1 9 . 1 1 36 36 THR C C 694 173.253 173.253 173.338 -0.085 18183 5206 1 9 . 1 1 36 36 THR CA C 694 63.429 63.429 60.712 2.717 18183 5207 1 9 . 1 1 36 36 THR CB C 694 68.091 68.091 70.814 -2.723 18183 5208 1 9 . 1 1 36 36 THR H H 694 8.240 8.240 7.712 0.528 18183 5209 1 9 . 1 1 37 37 TYR N N 695 123.567 123.567 124.119 -0.552 18183 5210 1 9 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.586 0.390 18183 5211 1 9 . 1 1 37 37 TYR C C 695 171.737 171.737 173.088 -1.351 18183 5212 1 9 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.809 0.426 18183 5213 1 9 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.251 3.038 18183 5214 1 9 . 1 1 37 37 TYR H H 695 8.765 8.765 8.006 0.759 18183 5215 1 9 . 1 1 38 38 LEU N N 696 115.294 115.294 114.849 0.445 18183 5216 1 9 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.062 0.041 18183 5217 1 9 . 1 1 38 38 LEU C C 696 174.368 174.368 174.592 -0.224 18183 5218 1 9 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.400 -0.568 18183 5219 1 9 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.834 0.460 18183 5220 1 9 . 1 1 38 38 LEU H H 696 9.008 9.008 8.707 0.301 18183 5221 1 9 . 1 1 39 39 ILE N N 697 122.087 122.087 118.875 3.212 18183 5222 1 9 . 1 1 39 39 ILE HA H 697 5.293 5.293 5.003 0.290 18183 5223 1 9 . 1 1 39 39 ILE C C 697 173.625 173.625 174.891 -1.266 18183 5224 1 9 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.808 -1.002 18183 5225 1 9 . 1 1 39 39 ILE CB C 697 38.766 38.766 41.629 -2.863 18183 5226 1 9 . 1 1 39 39 ILE H H 697 9.276 9.276 9.060 0.216 18183 5227 1 9 . 1 1 40 40 ARG N N 698 123.307 123.307 124.257 -0.950 18183 5228 1 9 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.482 0.662 18183 5229 1 9 . 1 1 40 40 ARG C C 698 173.789 173.789 174.544 -0.755 18183 5230 1 9 . 1 1 40 40 ARG CA C 698 52.171 52.171 54.043 -1.872 18183 5231 1 9 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.515 -0.089 18183 5232 1 9 . 1 1 40 40 ARG H H 698 9.032 9.032 8.292 0.740 18183 5233 1 9 . 1 1 41 41 GLU N N 699 122.502 122.502 118.581 3.921 18183 5234 1 9 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.100 0.891 18183 5235 1 9 . 1 1 41 41 GLU C C 699 175.788 175.788 175.748 0.040 18183 5236 1 9 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.211 -0.372 18183 5237 1 9 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.611 0.312 18183 5238 1 9 . 1 1 41 41 GLU H H 699 8.453 8.453 8.205 0.248 18183 5239 1 9 . 1 1 42 42 ARG N N 700 125.039 125.039 121.301 3.738 18183 5240 1 9 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.724 -0.070 18183 5241 1 9 . 1 1 42 42 ARG H H 700 8.844 8.844 8.229 0.615 18183 5242 1 9 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.526 -0.311 18183 5243 1 9 . 1 1 43 43 PRO C C 701 176.485 176.485 175.702 0.783 18183 5244 1 9 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.262 0.768 18183 5245 1 9 . 1 1 43 43 PRO CB C 701 31.450 31.450 30.592 0.858 18183 5246 1 9 . 1 1 44 44 ALA N N 702 120.718 120.718 127.151 -6.433 18183 5247 1 9 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.589 -0.346 18183 5248 1 9 . 1 1 44 44 ALA C C 702 176.924 176.924 177.383 -0.459 18183 5249 1 9 . 1 1 44 44 ALA CA C 702 52.068 52.068 50.941 1.127 18183 5250 1 9 . 1 1 44 44 ALA CB C 702 19.427 19.427 21.693 -2.266 18183 5251 1 9 . 1 1 44 44 ALA H H 702 8.217 8.217 7.923 0.294 18183 5252 1 9 . 1 1 45 45 GLU N N 703 118.107 118.107 119.579 -1.472 18183 5253 1 9 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.244 0.061 18183 5254 1 9 . 1 1 45 45 GLU C C 703 176.308 176.308 178.146 -1.838 18183 5255 1 9 . 1 1 45 45 GLU H H 703 7.638 7.638 8.970 -1.332 18183 5256 1 9 . 1 1 46 46 ALA N N 704 122.161 122.161 123.188 -1.027 18183 5257 1 9 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.264 -0.129 18183 5258 1 9 . 1 1 46 46 ALA C C 704 178.439 178.439 178.185 0.254 18183 5259 1 9 . 1 1 46 46 ALA H H 704 8.596 8.596 8.013 0.583 18183 5260 1 9 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.461 0.185 18183 5261 1 9 . 1 1 47 47 GLU C C 705 175.340 175.340 176.592 -1.252 18183 5262 1 9 . 1 1 47 47 GLU H H 705 7.642 7.642 8.011 -0.369 18183 5263 1 9 . 1 1 48 48 ARG N N 706 122.871 122.871 117.985 4.886 18183 5264 1 9 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.799 -0.159 18183 5265 1 9 . 1 1 48 48 ARG C C 706 175.645 175.645 176.226 -0.581 18183 5266 1 9 . 1 1 48 48 ARG H H 706 8.163 8.163 8.137 0.026 18183 5267 1 9 . 1 1 49 49 PHE N N 707 113.719 113.719 117.832 -4.113 18183 5268 1 9 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.952 0.832 18183 5269 1 9 . 1 1 49 49 PHE C C 707 174.536 174.536 173.762 0.774 18183 5270 1 9 . 1 1 49 49 PHE H H 707 8.370 8.370 7.540 0.830 18183 5271 1 9 . 1 1 50 50 ALA N N 708 119.650 119.650 121.401 -1.751 18183 5272 1 9 . 1 1 50 50 ALA HA H 708 5.120 5.120 4.834 0.286 18183 5273 1 9 . 1 1 50 50 ALA C C 708 175.964 175.964 174.838 1.126 18183 5274 1 9 . 1 1 50 50 ALA CA C 708 51.013 51.013 51.062 -0.049 18183 5275 1 9 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.681 -0.801 18183 5276 1 9 . 1 1 50 50 ALA H H 708 8.868 8.868 8.272 0.596 18183 5277 1 9 . 1 1 51 51 ILE N N 709 121.077 121.077 120.488 0.589 18183 5278 1 9 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.728 -0.081 18183 5279 1 9 . 1 1 51 51 ILE C C 709 175.049 175.049 174.751 0.298 18183 5280 1 9 . 1 1 51 51 ILE CA C 709 60.499 60.499 59.918 0.581 18183 5281 1 9 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.987 -0.992 18183 5282 1 9 . 1 1 51 51 ILE H H 709 9.130 9.130 8.177 0.953 18183 5283 1 9 . 1 1 52 52 SER N N 710 125.122 125.122 120.297 4.825 18183 5284 1 9 . 1 1 52 52 SER HA H 710 5.454 5.454 5.091 0.363 18183 5285 1 9 . 1 1 52 52 SER C C 710 172.024 172.024 172.608 -0.584 18183 5286 1 9 . 1 1 52 52 SER CA C 710 57.614 57.614 56.992 0.622 18183 5287 1 9 . 1 1 52 52 SER CB C 710 64.989 64.989 64.995 -0.006 18183 5288 1 9 . 1 1 52 52 SER H H 710 9.204 9.204 8.760 0.444 18183 5289 1 9 . 1 1 53 53 ILE N N 711 121.512 121.512 124.794 -3.282 18183 5290 1 9 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.050 0.089 18183 5291 1 9 . 1 1 53 53 ILE C C 711 173.093 173.093 173.633 -0.540 18183 5292 1 9 . 1 1 53 53 ILE CA C 711 57.633 57.633 58.693 -1.060 18183 5293 1 9 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.831 -0.008 18183 5294 1 9 . 1 1 53 53 ILE H H 711 8.825 8.825 8.011 0.814 18183 5295 1 9 . 1 1 54 54 LYS N N 712 128.814 128.814 124.442 4.372 18183 5296 1 9 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.071 -0.316 18183 5297 1 9 . 1 1 54 54 LYS C C 712 174.850 174.850 175.559 -0.709 18183 5298 1 9 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.720 -0.475 18183 5299 1 9 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.306 0.028 18183 5300 1 9 . 1 1 54 54 LYS H H 712 8.863 8.863 8.418 0.445 18183 5301 1 9 . 1 1 55 55 PHE N N 713 130.119 130.119 125.093 5.026 18183 5302 1 9 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.626 0.242 18183 5303 1 9 . 1 1 55 55 PHE C C 713 174.223 174.223 174.186 0.037 18183 5304 1 9 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.972 0.177 18183 5305 1 9 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.360 -1.758 18183 5306 1 9 . 1 1 55 55 PHE H H 713 9.373 9.373 8.943 0.430 18183 5307 1 9 . 1 1 56 56 ASN N N 714 125.766 125.766 121.737 4.029 18183 5308 1 9 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.282 -0.384 18183 5309 1 9 . 1 1 56 56 ASN C C 714 173.945 173.945 173.879 0.066 18183 5310 1 9 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.161 0.845 18183 5311 1 9 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.600 -1.638 18183 5312 1 9 . 1 1 56 56 ASN H H 714 8.364 8.364 8.287 0.077 18183 5313 1 9 . 1 1 57 57 ASP N N 715 117.708 117.708 112.800 4.908 18183 5314 1 9 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.207 0.344 18183 5315 1 9 . 1 1 57 57 ASP C C 715 174.766 174.766 175.120 -0.354 18183 5316 1 9 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.511 -0.466 18183 5317 1 9 . 1 1 57 57 ASP CB C 715 40.577 40.577 39.829 0.748 18183 5318 1 9 . 1 1 57 57 ASP H H 715 8.536 8.536 8.666 -0.130 18183 5319 1 9 . 1 1 58 58 GLU N N 716 118.715 118.715 114.763 3.952 18183 5320 1 9 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.614 0.051 18183 5321 1 9 . 1 1 58 58 GLU C C 716 173.786 173.786 174.175 -0.389 18183 5322 1 9 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.252 -0.310 18183 5323 1 9 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.300 -0.137 18183 5324 1 9 . 1 1 58 58 GLU H H 716 7.873 7.873 7.606 0.267 18183 5325 1 9 . 1 1 59 59 VAL N N 717 120.798 120.798 123.373 -2.575 18183 5326 1 9 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.482 -0.109 18183 5327 1 9 . 1 1 59 59 VAL C C 717 175.325 175.325 175.581 -0.256 18183 5328 1 9 . 1 1 59 59 VAL CA C 717 61.939 61.939 62.357 -0.418 18183 5329 1 9 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.281 0.736 18183 5330 1 9 . 1 1 59 59 VAL H H 717 8.473 8.473 8.876 -0.403 18183 5331 1 9 . 1 1 60 60 LYS N N 718 127.136 127.136 127.691 -0.555 18183 5332 1 9 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.454 -0.023 18183 5333 1 9 . 1 1 60 60 LYS C C 718 174.439 174.439 175.013 -0.574 18183 5334 1 9 . 1 1 60 60 LYS CA C 718 52.809 52.809 55.024 -2.215 18183 5335 1 9 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.379 -1.274 18183 5336 1 9 . 1 1 60 60 LYS H H 718 8.903 8.903 8.881 0.022 18183 5337 1 9 . 1 1 61 61 HIS N N 719 119.956 119.956 120.425 -0.469 18183 5338 1 9 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.921 0.302 18183 5339 1 9 . 1 1 61 61 HIS C C 719 175.173 175.173 174.738 0.435 18183 5340 1 9 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.272 -0.112 18183 5341 1 9 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.124 2.758 18183 5342 1 9 . 1 1 61 61 HIS H H 719 8.422 8.422 8.475 -0.053 18183 5343 1 9 . 1 1 62 62 ILE N N 720 126.629 126.629 124.963 1.666 18183 5344 1 9 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.220 -0.084 18183 5345 1 9 . 1 1 62 62 ILE C C 720 175.372 175.372 175.379 -0.007 18183 5346 1 9 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.174 -1.198 18183 5347 1 9 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.070 1.958 18183 5348 1 9 . 1 1 62 62 ILE H H 720 9.646 9.646 8.954 0.692 18183 5349 1 9 . 1 1 63 63 LYS N N 721 127.276 127.276 125.515 1.761 18183 5350 1 9 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.478 -0.251 18183 5351 1 9 . 1 1 63 63 LYS C C 721 174.877 174.877 175.315 -0.438 18183 5352 1 9 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.876 1.664 18183 5353 1 9 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.239 -0.190 18183 5354 1 9 . 1 1 63 63 LYS H H 721 8.741 8.741 8.431 0.310 18183 5355 1 9 . 1 1 64 64 VAL N N 722 123.343 123.343 121.954 1.389 18183 5356 1 9 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.341 -0.168 18183 5357 1 9 . 1 1 64 64 VAL C C 722 174.522 174.522 174.272 0.250 18183 5358 1 9 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.518 0.977 18183 5359 1 9 . 1 1 64 64 VAL CB C 722 30.392 30.392 34.902 -4.510 18183 5360 1 9 . 1 1 64 64 VAL H H 722 8.166 8.166 7.991 0.175 18183 5361 1 9 . 1 1 65 65 VAL N N 723 127.934 127.934 124.196 3.738 18183 5362 1 9 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.402 -0.256 18183 5363 1 9 . 1 1 65 65 VAL C C 723 174.212 174.212 174.744 -0.532 18183 5364 1 9 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.487 1.264 18183 5365 1 9 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.864 -0.585 18183 5366 1 9 . 1 1 65 65 VAL H H 723 8.469 8.469 7.970 0.499 18183 5367 1 9 . 1 1 66 66 GLU N N 724 125.632 125.632 126.280 -0.648 18183 5368 1 9 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.066 0.090 18183 5369 1 9 . 1 1 66 66 GLU C C 724 175.573 175.573 175.259 0.314 18183 5370 1 9 . 1 1 66 66 GLU CA C 724 54.557 54.557 54.968 -0.411 18183 5371 1 9 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.627 0.815 18183 5372 1 9 . 1 1 66 66 GLU H H 724 8.518 8.518 8.706 -0.188 18183 5373 1 9 . 1 1 67 67 LYS N N 725 125.857 125.857 124.793 1.064 18183 5374 1 9 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.591 -0.139 18183 5375 1 9 . 1 1 67 67 LYS C C 725 175.624 175.624 175.181 0.443 18183 5376 1 9 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.401 -0.147 18183 5377 1 9 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.565 -0.523 18183 5378 1 9 . 1 1 67 67 LYS H H 725 8.671 8.671 8.251 0.420 18183 5379 1 9 . 1 1 68 68 ASP N N 726 127.302 127.302 120.346 6.956 18183 5380 1 9 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.432 -0.241 18183 5381 1 9 . 1 1 68 68 ASP C C 726 174.291 174.291 175.972 -1.681 18183 5382 1 9 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.360 0.662 18183 5383 1 9 . 1 1 68 68 ASP CB C 726 39.391 39.391 40.194 -0.803 18183 5384 1 9 . 1 1 68 68 ASP H H 726 9.485 9.485 8.816 0.669 18183 5385 1 9 . 1 1 69 69 ASN N N 727 110.250 110.250 114.421 -4.171 18183 5386 1 9 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.453 -0.230 18183 5387 1 9 . 1 1 69 69 ASN C C 727 173.825 173.825 173.842 -0.017 18183 5388 1 9 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.710 -0.038 18183 5389 1 9 . 1 1 69 69 ASN CB C 727 37.344 37.344 37.996 -0.652 18183 5390 1 9 . 1 1 69 69 ASN H H 727 8.344 8.344 8.670 -0.326 18183 5391 1 9 . 1 1 70 70 TRP N N 728 119.098 119.098 116.360 2.738 18183 5392 1 9 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.162 0.154 18183 5393 1 9 . 1 1 70 70 TRP C C 728 174.989 174.989 175.113 -0.124 18183 5394 1 9 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.610 0.102 18183 5395 1 9 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.931 0.412 18183 5396 1 9 . 1 1 70 70 TRP H H 728 8.050 8.050 7.918 0.132 18183 5397 1 9 . 1 1 71 71 ILE N N 729 121.706 121.706 119.316 2.390 18183 5398 1 9 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.191 0.321 18183 5399 1 9 . 1 1 71 71 ILE C C 729 175.265 175.265 173.617 1.648 18183 5400 1 9 . 1 1 71 71 ILE CA C 729 58.794 58.794 60.594 -1.800 18183 5401 1 9 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.449 -0.358 18183 5402 1 9 . 1 1 71 71 ILE H H 729 9.298 9.298 9.330 -0.032 18183 5403 1 9 . 1 1 72 72 HIS N N 730 121.063 121.063 122.784 -1.721 18183 5404 1 9 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.191 -0.040 18183 5405 1 9 . 1 1 72 72 HIS C C 730 173.774 173.774 174.392 -0.618 18183 5406 1 9 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.741 0.778 18183 5407 1 9 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.975 0.534 18183 5408 1 9 . 1 1 72 72 HIS H H 730 9.024 9.024 8.340 0.684 18183 5409 1 9 . 1 1 73 73 ILE N N 731 112.363 112.363 115.053 -2.690 18183 5410 1 9 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.463 0.433 18183 5411 1 9 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.900 -0.598 18183 5412 1 9 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.605 0.782 18183 5413 1 9 . 1 1 73 73 ILE H H 731 9.425 9.425 8.931 0.494 18183 5414 1 9 . 1 1 74 74 THR N N 732 117.292 117.292 112.249 5.043 18183 5415 1 9 . 1 1 74 74 THR HA H 732 4.679 4.679 4.570 0.109 18183 5416 1 9 . 1 1 74 74 THR C C 732 173.467 173.467 173.620 -0.153 18183 5417 1 9 . 1 1 74 74 THR CA C 732 59.795 59.795 60.651 -0.856 18183 5418 1 9 . 1 1 74 74 THR CB C 732 69.896 69.896 70.941 -1.045 18183 5419 1 9 . 1 1 74 74 THR H H 732 8.421 8.421 7.703 0.718 18183 5420 1 9 . 1 1 75 75 GLU N N 733 123.689 123.689 120.989 2.700 18183 5421 1 9 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.095 -1.121 18183 5422 1 9 . 1 1 75 75 GLU C C 733 175.819 175.819 176.039 -0.220 18183 5423 1 9 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.755 2.143 18183 5424 1 9 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.587 -0.596 18183 5425 1 9 . 1 1 75 75 GLU H H 733 8.615 8.615 8.711 -0.096 18183 5426 1 9 . 1 1 76 76 ALA N N 734 117.705 117.705 122.974 -5.269 18183 5427 1 9 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.284 -0.372 18183 5428 1 9 . 1 1 76 76 ALA C C 734 177.024 177.024 177.581 -0.557 18183 5429 1 9 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.794 0.468 18183 5430 1 9 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.728 0.069 18183 5431 1 9 . 1 1 76 76 ALA H H 734 7.654 7.654 8.176 -0.522 18183 5432 1 9 . 1 1 77 77 LYS N N 735 119.239 119.239 119.502 -0.263 18183 5433 1 9 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.173 -0.082 18183 5434 1 9 . 1 1 77 77 LYS C C 735 172.048 172.048 174.279 -2.231 18183 5435 1 9 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.298 -0.925 18183 5436 1 9 . 1 1 77 77 LYS CB C 735 33.343 33.343 33.761 -0.418 18183 5437 1 9 . 1 1 77 77 LYS H H 735 7.214 7.214 8.039 -0.825 18183 5438 1 9 . 1 1 78 78 LYS N N 736 123.194 123.194 123.316 -0.122 18183 5439 1 9 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.375 0.361 18183 5440 1 9 . 1 1 78 78 LYS C C 736 174.901 174.901 175.976 -1.075 18183 5441 1 9 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.865 -1.162 18183 5442 1 9 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.202 1.891 18183 5443 1 9 . 1 1 78 78 LYS H H 736 7.850 7.850 7.938 -0.088 18183 5444 1 9 . 1 1 79 79 PHE N N 737 117.645 117.645 122.304 -4.659 18183 5445 1 9 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.850 0.076 18183 5446 1 9 . 1 1 79 79 PHE C C 737 175.500 175.500 175.520 -0.020 18183 5447 1 9 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.320 -0.407 18183 5448 1 9 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.431 1.038 18183 5449 1 9 . 1 1 79 79 PHE H H 737 9.079 9.079 8.688 0.391 18183 5450 1 9 . 1 1 80 80 ASP N N 738 119.264 119.264 121.805 -2.541 18183 5451 1 9 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.613 1.104 18183 5452 1 9 . 1 1 80 80 ASP C C 738 176.014 176.014 176.725 -0.711 18183 5453 1 9 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.796 -1.151 18183 5454 1 9 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.164 0.556 18183 5455 1 9 . 1 1 80 80 ASP H H 738 9.332 9.332 8.759 0.573 18183 5456 1 9 . 1 1 81 81 SER N N 739 108.541 108.541 111.647 -3.106 18183 5457 1 9 . 1 1 81 81 SER HA H 739 4.649 4.649 4.603 0.046 18183 5458 1 9 . 1 1 81 81 SER C C 739 173.719 173.719 175.088 -1.369 18183 5459 1 9 . 1 1 81 81 SER CA C 739 57.148 57.148 56.824 0.324 18183 5460 1 9 . 1 1 81 81 SER CB C 739 66.475 66.475 65.246 1.229 18183 5461 1 9 . 1 1 81 81 SER H H 739 7.379 7.379 7.702 -0.323 18183 5462 1 9 . 1 1 82 82 LEU N N 740 122.926 122.926 124.457 -1.531 18183 5463 1 9 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.953 -0.197 18183 5464 1 9 . 1 1 82 82 LEU C C 740 177.267 177.267 178.127 -0.860 18183 5465 1 9 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.846 -0.012 18183 5466 1 9 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.825 -1.242 18183 5467 1 9 . 1 1 82 82 LEU H H 740 8.939 8.939 8.603 0.336 18183 5468 1 9 . 1 1 83 83 LEU N N 741 116.722 116.722 117.412 -0.690 18183 5469 1 9 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.944 -0.169 18183 5470 1 9 . 1 1 83 83 LEU C C 741 177.528 177.528 177.906 -0.378 18183 5471 1 9 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.276 -0.137 18183 5472 1 9 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.189 0.488 18183 5473 1 9 . 1 1 83 83 LEU H H 741 7.814 7.814 7.592 0.222 18183 5474 1 9 . 1 1 84 84 GLU N N 742 116.747 116.747 119.386 -2.639 18183 5475 1 9 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.975 -0.108 18183 5476 1 9 . 1 1 84 84 GLU C C 742 178.282 178.282 178.948 -0.666 18183 5477 1 9 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.890 -0.751 18183 5478 1 9 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.186 1.247 18183 5479 1 9 . 1 1 84 84 GLU H H 742 7.541 7.541 7.562 -0.021 18183 5480 1 9 . 1 1 85 85 LEU N N 743 122.157 122.157 120.287 1.870 18183 5481 1 9 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.137 -0.174 18183 5482 1 9 . 1 1 85 85 LEU C C 743 177.315 177.315 178.311 -0.996 18183 5483 1 9 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.246 1.493 18183 5484 1 9 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.522 0.193 18183 5485 1 9 . 1 1 85 85 LEU H H 743 7.076 7.076 7.209 -0.133 18183 5486 1 9 . 1 1 86 86 VAL N N 744 119.754 119.754 119.013 0.741 18183 5487 1 9 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.299 -0.509 18183 5488 1 9 . 1 1 86 86 VAL C C 744 177.621 177.621 178.370 -0.749 18183 5489 1 9 . 1 1 86 86 VAL CA C 744 66.844 66.844 65.827 1.017 18183 5490 1 9 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.192 0.773 18183 5491 1 9 . 1 1 86 86 VAL H H 744 8.116 8.116 7.428 0.688 18183 5492 1 9 . 1 1 87 87 GLU N N 745 116.169 116.169 118.585 -2.416 18183 5493 1 9 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.843 -0.128 18183 5494 1 9 . 1 1 87 87 GLU C C 745 179.560 179.560 178.940 0.620 18183 5495 1 9 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.800 -0.478 18183 5496 1 9 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.625 -0.539 18183 5497 1 9 . 1 1 87 87 GLU H H 745 8.168 8.168 7.879 0.289 18183 5498 1 9 . 1 1 88 88 TYR N N 746 120.022 120.022 120.897 -0.875 18183 5499 1 9 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.097 -0.004 18183 5500 1 9 . 1 1 88 88 TYR C C 746 180.010 180.010 177.874 2.136 18183 5501 1 9 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.973 0.621 18183 5502 1 9 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.795 0.033 18183 5503 1 9 . 1 1 88 88 TYR H H 746 7.774 7.774 7.603 0.171 18183 5504 1 9 . 1 1 89 89 TYR N N 747 118.480 118.480 117.685 0.795 18183 5505 1 9 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.665 0.390 18183 5506 1 9 . 1 1 89 89 TYR C C 747 175.796 175.796 178.573 -2.777 18183 5507 1 9 . 1 1 89 89 TYR CA C 747 61.137 61.137 60.967 0.170 18183 5508 1 9 . 1 1 89 89 TYR CB C 747 36.930 36.930 38.082 -1.152 18183 5509 1 9 . 1 1 89 89 TYR H H 747 7.782 7.782 8.548 -0.766 18183 5510 1 9 . 1 1 90 90 GLN N N 748 118.696 118.696 117.963 0.733 18183 5511 1 9 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.793 0.596 18183 5512 1 9 . 1 1 90 90 GLN C C 748 177.777 177.777 176.703 1.074 18183 5513 1 9 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.019 -1.302 18183 5514 1 9 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.579 -0.059 18183 5515 1 9 . 1 1 90 90 GLN H H 748 7.838 7.838 8.209 -0.371 18183 5516 1 9 . 1 1 91 91 CYS N N 749 111.118 111.118 113.703 -2.585 18183 5517 1 9 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.365 0.237 18183 5518 1 9 . 1 1 91 91 CYS C C 749 172.887 172.887 174.660 -1.773 18183 5519 1 9 . 1 1 91 91 CYS CA C 749 57.434 57.434 58.558 -1.124 18183 5520 1 9 . 1 1 91 91 CYS CB C 749 29.266 29.266 30.034 -0.768 18183 5521 1 9 . 1 1 91 91 CYS H H 749 7.145 7.145 7.320 -0.175 18183 5522 1 9 . 1 1 92 92 HIS N N 750 120.227 120.227 119.382 0.845 18183 5523 1 9 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.458 -0.126 18183 5524 1 9 . 1 1 92 92 HIS C C 750 171.842 171.842 174.532 -2.690 18183 5525 1 9 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.285 -0.208 18183 5526 1 9 . 1 1 92 92 HIS CB C 750 29.376 29.376 30.817 -1.441 18183 5527 1 9 . 1 1 92 92 HIS H H 750 7.470 7.470 7.853 -0.383 18183 5528 1 9 . 1 1 93 93 SER N N 751 113.120 113.120 116.870 -3.750 18183 5529 1 9 . 1 1 93 93 SER HA H 751 3.782 3.782 4.411 -0.629 18183 5530 1 9 . 1 1 93 93 SER C C 751 176.653 176.653 175.476 1.177 18183 5531 1 9 . 1 1 93 93 SER CA C 751 57.812 57.812 58.795 -0.983 18183 5532 1 9 . 1 1 93 93 SER CB C 751 62.783 62.783 63.948 -1.165 18183 5533 1 9 . 1 1 93 93 SER H H 751 8.404 8.404 8.827 -0.423 18183 5534 1 9 . 1 1 94 94 LEU N N 752 127.293 127.293 121.788 5.505 18183 5535 1 9 . 1 1 94 94 LEU HA H 752 4.069 4.069 5.115 -1.046 18183 5536 1 9 . 1 1 94 94 LEU C C 752 177.524 177.524 177.016 0.508 18183 5537 1 9 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.183 2.213 18183 5538 1 9 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.804 1.683 18183 5539 1 9 . 1 1 94 94 LEU H H 752 8.553 8.553 8.386 0.167 18183 5540 1 9 . 1 1 95 95 LYS N N 753 122.249 122.249 119.364 2.885 18183 5541 1 9 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.309 0.019 18183 5542 1 9 . 1 1 95 95 LYS C C 753 176.426 176.426 178.244 -1.818 18183 5543 1 9 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.788 -1.234 18183 5544 1 9 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.767 0.407 18183 5545 1 9 . 1 1 95 95 LYS H H 753 8.303 8.303 8.271 0.032 18183 5546 1 9 . 1 1 96 96 GLU N N 754 115.401 115.401 118.907 -3.506 18183 5547 1 9 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.106 -0.021 18183 5548 1 9 . 1 1 96 96 GLU C C 754 176.838 176.838 178.003 -1.165 18183 5549 1 9 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.660 -0.563 18183 5550 1 9 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.308 0.192 18183 5551 1 9 . 1 1 96 96 GLU H H 754 7.188 7.188 8.859 -1.671 18183 5552 1 9 . 1 1 97 97 SER N N 755 113.852 113.852 114.198 -0.346 18183 5553 1 9 . 1 1 97 97 SER HA H 755 4.402 4.402 4.495 -0.093 18183 5554 1 9 . 1 1 97 97 SER C C 755 172.067 172.067 174.596 -2.529 18183 5555 1 9 . 1 1 97 97 SER CA C 755 59.448 59.448 60.729 -1.281 18183 5556 1 9 . 1 1 97 97 SER CB C 755 65.680 65.680 64.624 1.056 18183 5557 1 9 . 1 1 97 97 SER H H 755 7.838 7.838 7.740 0.098 18183 5558 1 9 . 1 1 98 98 PHE N N 756 121.742 121.742 122.213 -0.471 18183 5559 1 9 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.778 -0.208 18183 5560 1 9 . 1 1 98 98 PHE C C 756 174.941 174.941 175.329 -0.388 18183 5561 1 9 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.132 0.616 18183 5562 1 9 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.528 0.753 18183 5563 1 9 . 1 1 98 98 PHE H H 756 8.223 8.223 8.770 -0.547 18183 5564 1 9 . 1 1 99 99 LYS N N 757 122.713 122.713 124.058 -1.345 18183 5565 1 9 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.210 -0.139 18183 5566 1 9 . 1 1 99 99 LYS C C 757 176.793 176.793 177.289 -0.496 18183 5567 1 9 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.705 0.453 18183 5568 1 9 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.190 0.143 18183 5569 1 9 . 1 1 99 99 LYS H H 757 8.388 8.388 8.453 -0.065 18183 5570 1 9 . 1 1 100 100 GLN N N 758 114.972 114.972 118.208 -3.236 18183 5571 1 9 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.415 -0.254 18183 5572 1 9 . 1 1 100 100 GLN C C 758 175.591 175.591 175.296 0.295 18183 5573 1 9 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.238 0.231 18183 5574 1 9 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.586 -0.599 18183 5575 1 9 . 1 1 100 100 GLN H H 758 8.662 8.662 8.066 0.596 18183 5576 1 9 . 1 1 101 101 LEU N N 759 124.472 124.472 121.014 3.458 18183 5577 1 9 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.560 -0.881 18183 5578 1 9 . 1 1 101 101 LEU C C 759 173.228 173.228 174.877 -1.649 18183 5579 1 9 . 1 1 101 101 LEU CA C 759 52.325 52.325 55.243 -2.918 18183 5580 1 9 . 1 1 101 101 LEU CB C 759 41.512 41.512 43.338 -1.826 18183 5581 1 9 . 1 1 101 101 LEU H H 759 7.884 7.884 7.813 0.071 18183 5582 1 9 . 1 1 102 102 ASP N N 760 119.321 119.321 122.645 -3.324 18183 5583 1 9 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.585 -0.100 18183 5584 1 9 . 1 1 102 102 ASP C C 760 173.467 173.467 175.561 -2.094 18183 5585 1 9 . 1 1 102 102 ASP CA C 760 52.125 52.125 54.239 -2.114 18183 5586 1 9 . 1 1 102 102 ASP CB C 760 39.028 39.028 39.225 -0.197 18183 5587 1 9 . 1 1 102 102 ASP H H 760 6.594 6.594 8.656 -2.062 18183 5588 1 9 . 1 1 103 103 THR N N 761 117.213 117.213 114.850 2.363 18183 5589 1 9 . 1 1 103 103 THR HA H 761 4.643 4.643 4.472 0.171 18183 5590 1 9 . 1 1 103 103 THR C C 761 172.158 172.158 172.213 -0.055 18183 5591 1 9 . 1 1 103 103 THR CA C 761 60.197 60.197 60.268 -0.071 18183 5592 1 9 . 1 1 103 103 THR CB C 761 69.046 69.046 70.157 -1.111 18183 5593 1 9 . 1 1 103 103 THR H H 761 7.637 7.637 7.724 -0.087 18183 5594 1 9 . 1 1 104 104 THR N N 762 114.193 114.193 114.847 -0.654 18183 5595 1 9 . 1 1 104 104 THR HA H 762 4.569 4.569 4.475 0.094 18183 5596 1 9 . 1 1 104 104 THR C C 762 175.698 175.698 173.433 2.265 18183 5597 1 9 . 1 1 104 104 THR CA C 762 60.808 60.808 59.931 0.877 18183 5598 1 9 . 1 1 104 104 THR CB C 762 70.636 70.636 71.452 -0.816 18183 5599 1 9 . 1 1 104 104 THR H H 762 7.284 7.284 8.087 -0.803 18183 5600 1 9 . 1 1 105 105 LEU N N 763 117.473 117.473 121.674 -4.201 18183 5601 1 9 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.735 -0.272 18183 5602 1 9 . 1 1 105 105 LEU C C 763 174.348 174.348 176.084 -1.736 18183 5603 1 9 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.642 -1.660 18183 5604 1 9 . 1 1 105 105 LEU CB C 763 35.683 35.683 40.438 -4.755 18183 5605 1 9 . 1 1 105 105 LEU H H 763 8.093 8.093 7.982 0.111 18183 5606 1 9 . 1 1 106 106 LYS N N 764 127.491 127.491 119.855 7.636 18183 5607 1 9 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.332 -0.374 18183 5608 1 9 . 1 1 106 106 LYS C C 764 176.734 176.734 175.634 1.100 18183 5609 1 9 . 1 1 106 106 LYS CA C 764 59.696 59.696 56.575 3.121 18183 5610 1 9 . 1 1 106 106 LYS CB C 764 35.167 35.167 34.973 0.194 18183 5611 1 9 . 1 1 106 106 LYS H H 764 7.118 7.118 8.019 -0.901 18183 5612 1 9 . 1 1 107 107 TYR N N 765 115.804 115.804 119.015 -3.211 18183 5613 1 9 . 1 1 107 107 TYR HA H 765 5.464 5.464 5.489 -0.025 18183 5614 1 9 . 1 1 107 107 TYR C C 765 172.048 172.048 173.390 -1.342 18183 5615 1 9 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.013 -2.494 18183 5616 1 9 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.538 1.838 18183 5617 1 9 . 1 1 107 107 TYR H H 765 7.848 7.848 8.223 -0.375 18183 5618 1 9 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.234 -0.608 18183 5619 1 9 . 1 1 108 108 PRO C C 766 180.469 180.469 176.938 3.531 18183 5620 1 9 . 1 1 109 109 TYR N N 767 122.791 122.791 124.572 -1.781 18183 5621 1 9 . 1 1 109 109 TYR HA H 767 3.784 3.784 3.798 -0.014 18183 5622 1 9 . 1 1 109 109 TYR C C 767 174.575 174.575 176.642 -2.067 18183 5623 1 9 . 1 1 109 109 TYR CA C 767 60.986 60.986 61.741 -0.755 18183 5624 1 9 . 1 1 109 109 TYR CB C 767 37.626 37.626 36.892 0.734 18183 5625 1 9 . 1 1 109 109 TYR H H 767 8.306 8.306 7.864 0.442 18183 5626 1 9 . 1 1 110 110 LYS N N 768 118.817 118.817 119.004 -0.187 18183 5627 1 9 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.242 -0.339 18183 5628 1 9 . 1 1 110 110 LYS C C 768 176.259 176.259 176.810 -0.551 18183 5629 1 9 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.341 -1.746 18183 5630 1 9 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.875 -0.270 18183 5631 1 9 . 1 1 110 110 LYS H H 768 6.785 6.785 8.577 -1.792 18183 5632 1 9 . 1 1 111 111 SER N N 769 114.539 114.539 112.493 2.046 18183 5633 1 9 . 1 1 111 111 SER HA H 769 4.317 4.317 4.525 -0.208 18183 5634 1 9 . 1 1 111 111 SER C C 769 174.092 174.092 173.322 0.770 18183 5635 1 9 . 1 1 111 111 SER CA C 769 58.647 58.647 59.072 -0.425 18183 5636 1 9 . 1 1 111 111 SER CB C 769 63.883 63.883 64.844 -0.961 18183 5637 1 9 . 1 1 111 111 SER H H 769 7.765 7.765 8.064 -0.299 18183 5638 1 9 . 1 1 112 112 ARG N N 770 122.458 122.458 119.748 2.710 18183 5639 1 9 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.560 -0.238 18183 5640 1 9 . 1 1 112 112 ARG C C 770 175.130 175.130 174.294 0.836 18183 5641 1 9 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.439 -0.775 18183 5642 1 9 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.169 -0.289 18183 5643 1 9 . 1 1 112 112 ARG H H 770 8.082 8.082 8.155 -0.073 18183 5644 1 10 . 1 1 2 2 ARG N N 660 123.546 123.546 125.251 -1.705 18183 5645 1 10 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.872 -0.296 18183 5646 1 10 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.823 -0.973 18183 5647 1 10 . 1 1 2 2 ARG CB C 660 30.347 30.347 31.157 -0.810 18183 5648 1 10 . 1 1 2 2 ARG H H 660 8.258 8.258 8.494 -0.236 18183 5649 1 10 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.555 -0.199 18183 5650 1 10 . 1 1 4 4 PRO C C 662 177.047 177.047 175.734 1.313 18183 5651 1 10 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.759 0.462 18183 5652 1 10 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.927 -0.952 18183 5653 1 10 . 1 1 5 5 SER N N 663 116.108 116.108 114.833 1.275 18183 5654 1 10 . 1 1 5 5 SER HA H 663 4.335 4.335 4.638 -0.303 18183 5655 1 10 . 1 1 5 5 SER C C 663 174.708 174.708 173.676 1.032 18183 5656 1 10 . 1 1 5 5 SER CA C 663 58.639 58.639 58.155 0.484 18183 5657 1 10 . 1 1 5 5 SER CB C 663 63.849 63.849 64.368 -0.519 18183 5658 1 10 . 1 1 5 5 SER H H 663 8.385 8.385 8.240 0.145 18183 5659 1 10 . 1 1 6 6 ARG N N 664 122.132 122.132 121.082 1.050 18183 5660 1 10 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.474 -0.155 18183 5661 1 10 . 1 1 6 6 ARG C C 664 175.951 175.951 175.158 0.793 18183 5662 1 10 . 1 1 6 6 ARG CA C 664 55.931 55.931 55.791 0.140 18183 5663 1 10 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.517 0.315 18183 5664 1 10 . 1 1 6 6 ARG H H 664 8.347 8.347 8.267 0.080 18183 5665 1 10 . 1 1 7 7 GLU N N 665 122.268 122.268 119.783 2.485 18183 5666 1 10 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.559 -0.297 18183 5667 1 10 . 1 1 7 7 GLU C C 665 175.809 175.809 174.859 0.950 18183 5668 1 10 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.181 -0.011 18183 5669 1 10 . 1 1 7 7 GLU CB C 665 29.908 29.908 31.278 -1.370 18183 5670 1 10 . 1 1 7 7 GLU H H 665 8.336 8.336 7.966 0.370 18183 5671 1 10 . 1 1 8 8 ILE N N 666 123.984 123.984 122.718 1.266 18183 5672 1 10 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.390 -0.610 18183 5673 1 10 . 1 1 8 8 ILE C C 666 174.325 174.325 175.512 -1.187 18183 5674 1 10 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.699 0.110 18183 5675 1 10 . 1 1 8 8 ILE CB C 666 39.233 39.233 40.758 -1.525 18183 5676 1 10 . 1 1 8 8 ILE H H 666 7.920 7.920 8.194 -0.274 18183 5677 1 10 . 1 1 9 9 ASP N N 667 124.228 124.228 125.619 -1.391 18183 5678 1 10 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.825 -0.257 18183 5679 1 10 . 1 1 9 9 ASP C C 667 177.001 177.001 176.291 0.710 18183 5680 1 10 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.403 -1.412 18183 5681 1 10 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.140 1.170 18183 5682 1 10 . 1 1 9 9 ASP H H 667 8.072 8.072 8.816 -0.744 18183 5683 1 10 . 1 1 10 10 TYR N N 668 125.329 125.329 120.188 5.141 18183 5684 1 10 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.313 -0.185 18183 5685 1 10 . 1 1 10 10 TYR C C 668 175.901 175.901 176.832 -0.931 18183 5686 1 10 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.425 1.132 18183 5687 1 10 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.620 -1.454 18183 5688 1 10 . 1 1 10 10 TYR H H 668 8.493 8.493 7.846 0.647 18183 5689 1 10 . 1 1 11 11 THR N N 669 108.533 108.533 109.537 -1.004 18183 5690 1 10 . 1 1 11 11 THR HA H 669 4.082 4.082 3.630 0.452 18183 5691 1 10 . 1 1 11 11 THR C C 669 175.170 175.170 175.223 -0.053 18183 5692 1 10 . 1 1 11 11 THR CA C 669 64.701 64.701 63.784 0.917 18183 5693 1 10 . 1 1 11 11 THR CB C 669 68.924 68.924 68.628 0.296 18183 5694 1 10 . 1 1 11 11 THR H H 669 7.948 7.948 7.772 0.176 18183 5695 1 10 . 1 1 12 12 ALA N N 670 121.252 121.252 123.771 -2.519 18183 5696 1 10 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.014 0.009 18183 5697 1 10 . 1 1 12 12 ALA C C 670 177.747 177.747 177.888 -0.141 18183 5698 1 10 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.069 -0.570 18183 5699 1 10 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.582 0.645 18183 5700 1 10 . 1 1 12 12 ALA H H 670 7.366 7.366 7.283 0.083 18183 5701 1 10 . 1 1 13 13 TYR N N 671 117.895 117.895 117.270 0.625 18183 5702 1 10 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.143 0.109 18183 5703 1 10 . 1 1 13 13 TYR C C 671 176.545 176.545 175.301 1.244 18183 5704 1 10 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.300 0.172 18183 5705 1 10 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.364 -0.805 18183 5706 1 10 . 1 1 13 13 TYR H H 671 7.490 7.490 7.096 0.394 18183 5707 1 10 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.450 -0.150 18183 5708 1 10 . 1 1 14 14 PRO C C 672 173.638 173.638 175.283 -1.645 18183 5709 1 10 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.192 0.559 18183 5710 1 10 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.624 -0.380 18183 5711 1 10 . 1 1 15 15 TRP N N 673 109.940 109.940 113.856 -3.916 18183 5712 1 10 . 1 1 15 15 TRP HA H 673 4.706 4.706 5.057 -0.351 18183 5713 1 10 . 1 1 15 15 TRP C C 673 175.471 175.471 174.033 1.438 18183 5714 1 10 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.693 -1.843 18183 5715 1 10 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.967 3.469 18183 5716 1 10 . 1 1 15 15 TRP H H 673 6.184 6.184 7.301 -1.117 18183 5717 1 10 . 1 1 16 16 PHE N N 674 123.228 123.228 122.892 0.336 18183 5718 1 10 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.932 0.169 18183 5719 1 10 . 1 1 16 16 PHE C C 674 174.684 174.684 173.995 0.689 18183 5720 1 10 . 1 1 16 16 PHE CA C 674 59.566 59.566 57.044 2.522 18183 5721 1 10 . 1 1 16 16 PHE CB C 674 39.968 39.968 41.965 -1.997 18183 5722 1 10 . 1 1 16 16 PHE H H 674 7.585 7.585 7.654 -0.069 18183 5723 1 10 . 1 1 17 17 ALA N N 675 130.573 130.573 128.339 2.234 18183 5724 1 10 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.894 -0.052 18183 5725 1 10 . 1 1 17 17 ALA C C 675 177.161 177.161 177.108 0.053 18183 5726 1 10 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.371 -0.203 18183 5727 1 10 . 1 1 17 17 ALA CB C 675 21.968 21.968 20.564 1.404 18183 5728 1 10 . 1 1 17 17 ALA H H 675 9.004 9.004 8.332 0.672 18183 5729 1 10 . 1 1 18 18 GLY C C 676 174.000 174.000 173.520 0.480 18183 5730 1 10 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.399 2.091 18183 5731 1 10 . 1 1 19 19 ASN N N 677 124.182 124.182 122.689 1.493 18183 5732 1 10 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.045 -0.039 18183 5733 1 10 . 1 1 19 19 ASN C C 677 174.916 174.916 174.604 0.312 18183 5734 1 10 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.883 -0.278 18183 5735 1 10 . 1 1 19 19 ASN CB C 677 37.065 37.065 38.108 -1.043 18183 5736 1 10 . 1 1 19 19 ASN H H 677 8.657 8.657 8.501 0.156 18183 5737 1 10 . 1 1 20 20 MET N N 678 122.806 122.806 122.337 0.469 18183 5738 1 10 . 1 1 20 20 MET HA H 678 4.173 4.173 4.659 -0.486 18183 5739 1 10 . 1 1 20 20 MET C C 678 175.317 175.317 175.325 -0.008 18183 5740 1 10 . 1 1 20 20 MET CA C 678 56.274 56.274 54.565 1.709 18183 5741 1 10 . 1 1 20 20 MET CB C 678 35.581 35.581 35.876 -0.295 18183 5742 1 10 . 1 1 20 20 MET H H 678 7.158 7.158 7.691 -0.533 18183 5743 1 10 . 1 1 21 21 GLU N N 679 124.655 124.655 122.739 1.916 18183 5744 1 10 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.415 -0.214 18183 5745 1 10 . 1 1 21 21 GLU C C 679 178.105 178.105 176.877 1.228 18183 5746 1 10 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.054 -0.038 18183 5747 1 10 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.586 0.304 18183 5748 1 10 . 1 1 21 21 GLU H H 679 8.687 8.687 8.747 -0.060 18183 5749 1 10 . 1 1 22 22 ARG N N 680 125.764 125.764 121.569 4.195 18183 5750 1 10 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.893 -0.613 18183 5751 1 10 . 1 1 22 22 ARG C C 680 177.559 177.559 178.750 -1.191 18183 5752 1 10 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.042 1.012 18183 5753 1 10 . 1 1 22 22 ARG CB C 680 29.868 29.868 29.892 -0.024 18183 5754 1 10 . 1 1 22 22 ARG H H 680 9.191 9.191 8.850 0.341 18183 5755 1 10 . 1 1 23 23 GLN N N 681 118.109 118.109 118.387 -0.278 18183 5756 1 10 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.079 -0.086 18183 5757 1 10 . 1 1 23 23 GLN C C 681 178.252 178.252 178.367 -0.115 18183 5758 1 10 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.091 0.508 18183 5759 1 10 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.742 0.023 18183 5760 1 10 . 1 1 23 23 GLN H H 681 9.085 9.085 8.674 0.411 18183 5761 1 10 . 1 1 24 24 GLN N N 682 118.128 118.128 117.668 0.460 18183 5762 1 10 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.096 -0.045 18183 5763 1 10 . 1 1 24 24 GLN C C 682 178.328 178.328 178.287 0.041 18183 5764 1 10 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.213 -0.448 18183 5765 1 10 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.741 -0.509 18183 5766 1 10 . 1 1 24 24 GLN H H 682 7.287 7.287 7.554 -0.267 18183 5767 1 10 . 1 1 25 25 THR N N 683 116.436 116.436 115.953 0.483 18183 5768 1 10 . 1 1 25 25 THR HA H 683 3.641 3.641 4.002 -0.361 18183 5769 1 10 . 1 1 25 25 THR CA C 683 67.504 67.504 66.734 0.770 18183 5770 1 10 . 1 1 25 25 THR CB C 683 67.667 67.667 67.948 -0.281 18183 5771 1 10 . 1 1 25 25 THR H H 683 7.813 7.813 8.011 -0.198 18183 5772 1 10 . 1 1 26 26 ASP N N 684 123.084 123.084 121.320 1.764 18183 5773 1 10 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.543 -0.315 18183 5774 1 10 . 1 1 26 26 ASP C C 684 178.426 178.426 177.693 0.733 18183 5775 1 10 . 1 1 26 26 ASP CA C 684 58.020 58.020 56.841 1.179 18183 5776 1 10 . 1 1 26 26 ASP CB C 684 39.826 39.826 40.977 -1.151 18183 5777 1 10 . 1 1 26 26 ASP H H 684 8.384 8.384 8.128 0.256 18183 5778 1 10 . 1 1 27 27 ASN N N 685 116.068 116.068 116.912 -0.844 18183 5779 1 10 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.513 -0.194 18183 5780 1 10 . 1 1 27 27 ASN C C 685 177.207 177.207 177.217 -0.010 18183 5781 1 10 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.479 0.268 18183 5782 1 10 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.635 -0.438 18183 5783 1 10 . 1 1 27 27 ASN H H 685 7.667 7.667 7.730 -0.063 18183 5784 1 10 . 1 1 28 28 LEU N N 686 120.906 120.906 120.208 0.698 18183 5785 1 10 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.258 -0.089 18183 5786 1 10 . 1 1 28 28 LEU C C 686 179.394 179.394 178.318 1.076 18183 5787 1 10 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.834 -0.013 18183 5788 1 10 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.151 0.541 18183 5789 1 10 . 1 1 28 28 LEU H H 686 7.993 7.993 8.186 -0.193 18183 5790 1 10 . 1 1 29 29 LEU N N 687 114.941 114.941 115.720 -0.779 18183 5791 1 10 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.567 -0.516 18183 5792 1 10 . 1 1 29 29 LEU C C 687 178.742 178.742 177.564 1.178 18183 5793 1 10 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.922 1.515 18183 5794 1 10 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.069 1.772 18183 5795 1 10 . 1 1 29 29 LEU H H 687 8.166 8.166 7.615 0.551 18183 5796 1 10 . 1 1 30 30 LYS N N 688 118.446 118.446 117.593 0.853 18183 5797 1 10 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.211 -0.498 18183 5798 1 10 . 1 1 30 30 LYS C C 688 177.260 177.260 177.233 0.027 18183 5799 1 10 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.204 2.274 18183 5800 1 10 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.161 -0.077 18183 5801 1 10 . 1 1 30 30 LYS H H 688 7.635 7.635 7.585 0.050 18183 5802 1 10 . 1 1 31 31 SER N N 689 111.039 111.039 112.998 -1.959 18183 5803 1 10 . 1 1 31 31 SER HA H 689 4.417 4.417 4.576 -0.159 18183 5804 1 10 . 1 1 31 31 SER C C 689 174.495 174.495 174.789 -0.294 18183 5805 1 10 . 1 1 31 31 SER CA C 689 58.387 58.387 58.518 -0.131 18183 5806 1 10 . 1 1 31 31 SER CB C 689 63.281 63.281 64.445 -1.164 18183 5807 1 10 . 1 1 31 31 SER H H 689 7.709 7.709 7.933 -0.224 18183 5808 1 10 . 1 1 32 32 HIS N N 690 120.253 120.253 122.411 -2.158 18183 5809 1 10 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.408 0.168 18183 5810 1 10 . 1 1 32 32 HIS C C 690 173.913 173.913 175.039 -1.126 18183 5811 1 10 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.083 -1.007 18183 5812 1 10 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.448 1.405 18183 5813 1 10 . 1 1 32 32 HIS H H 690 7.647 7.647 7.905 -0.258 18183 5814 1 10 . 1 1 33 33 ALA N N 691 120.403 120.403 123.353 -2.950 18183 5815 1 10 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.536 -0.258 18183 5816 1 10 . 1 1 33 33 ALA C C 691 179.503 179.503 177.141 2.362 18183 5817 1 10 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.542 0.176 18183 5818 1 10 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.261 0.008 18183 5819 1 10 . 1 1 33 33 ALA H H 691 8.452 8.452 8.660 -0.208 18183 5820 1 10 . 1 1 34 34 SER N N 692 117.464 117.464 114.592 2.872 18183 5821 1 10 . 1 1 34 34 SER HA H 692 4.047 4.047 4.724 -0.677 18183 5822 1 10 . 1 1 34 34 SER C C 692 175.307 175.307 174.734 0.573 18183 5823 1 10 . 1 1 34 34 SER CA C 692 60.434 60.434 58.517 1.917 18183 5824 1 10 . 1 1 34 34 SER CB C 692 63.132 63.132 62.111 1.021 18183 5825 1 10 . 1 1 34 34 SER H H 692 9.002 9.002 8.547 0.455 18183 5826 1 10 . 1 1 35 35 GLY N N 693 113.364 113.364 110.525 2.839 18183 5827 1 10 . 1 1 35 35 GLY C C 693 174.739 174.739 172.548 2.191 18183 5828 1 10 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.948 -1.098 18183 5829 1 10 . 1 1 35 35 GLY H H 693 9.873 9.873 8.416 1.457 18183 5830 1 10 . 1 1 36 36 THR N N 694 120.932 120.932 118.546 2.386 18183 5831 1 10 . 1 1 36 36 THR HA H 694 5.923 5.923 5.731 0.192 18183 5832 1 10 . 1 1 36 36 THR C C 694 173.253 173.253 173.289 -0.036 18183 5833 1 10 . 1 1 36 36 THR CA C 694 63.429 63.429 61.207 2.222 18183 5834 1 10 . 1 1 36 36 THR CB C 694 68.091 68.091 70.969 -2.878 18183 5835 1 10 . 1 1 36 36 THR H H 694 8.240 8.240 7.522 0.718 18183 5836 1 10 . 1 1 37 37 TYR N N 695 123.567 123.567 124.478 -0.911 18183 5837 1 10 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.590 0.386 18183 5838 1 10 . 1 1 37 37 TYR C C 695 171.737 171.737 173.073 -1.336 18183 5839 1 10 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.714 0.521 18183 5840 1 10 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.581 2.708 18183 5841 1 10 . 1 1 37 37 TYR H H 695 8.765 8.765 8.680 0.085 18183 5842 1 10 . 1 1 38 38 LEU N N 696 115.294 115.294 116.625 -1.331 18183 5843 1 10 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.026 0.077 18183 5844 1 10 . 1 1 38 38 LEU C C 696 174.368 174.368 174.895 -0.527 18183 5845 1 10 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.436 -0.604 18183 5846 1 10 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.698 0.596 18183 5847 1 10 . 1 1 38 38 LEU H H 696 9.008 9.008 8.817 0.191 18183 5848 1 10 . 1 1 39 39 ILE N N 697 122.087 122.087 121.776 0.311 18183 5849 1 10 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.660 0.633 18183 5850 1 10 . 1 1 39 39 ILE C C 697 173.625 173.625 175.295 -1.670 18183 5851 1 10 . 1 1 39 39 ILE CA C 697 59.806 59.806 59.454 0.352 18183 5852 1 10 . 1 1 39 39 ILE CB C 697 38.766 38.766 38.819 -0.053 18183 5853 1 10 . 1 1 39 39 ILE H H 697 9.276 9.276 8.822 0.454 18183 5854 1 10 . 1 1 40 40 ARG N N 698 123.307 123.307 124.624 -1.317 18183 5855 1 10 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.940 0.204 18183 5856 1 10 . 1 1 40 40 ARG C C 698 173.789 173.789 174.535 -0.746 18183 5857 1 10 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.614 -1.443 18183 5858 1 10 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.630 -0.204 18183 5859 1 10 . 1 1 40 40 ARG H H 698 9.032 9.032 8.749 0.283 18183 5860 1 10 . 1 1 41 41 GLU N N 699 122.502 122.502 120.534 1.968 18183 5861 1 10 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.313 0.678 18183 5862 1 10 . 1 1 41 41 GLU C C 699 175.788 175.788 174.901 0.887 18183 5863 1 10 . 1 1 41 41 GLU CA C 699 54.839 54.839 54.261 0.578 18183 5864 1 10 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.706 -0.783 18183 5865 1 10 . 1 1 41 41 GLU H H 699 8.453 8.453 8.541 -0.088 18183 5866 1 10 . 1 1 42 42 ARG N N 700 125.039 125.039 119.829 5.210 18183 5867 1 10 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.856 -0.202 18183 5868 1 10 . 1 1 42 42 ARG H H 700 8.844 8.844 7.817 1.027 18183 5869 1 10 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.428 -0.213 18183 5870 1 10 . 1 1 43 43 PRO C C 701 176.485 176.485 175.568 0.917 18183 5871 1 10 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.212 0.818 18183 5872 1 10 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.221 0.229 18183 5873 1 10 . 1 1 44 44 ALA N N 702 120.718 120.718 127.714 -6.996 18183 5874 1 10 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.534 -0.291 18183 5875 1 10 . 1 1 44 44 ALA C C 702 176.924 176.924 177.080 -0.156 18183 5876 1 10 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.886 0.182 18183 5877 1 10 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.013 -0.586 18183 5878 1 10 . 1 1 44 44 ALA H H 702 8.217 8.217 7.784 0.433 18183 5879 1 10 . 1 1 45 45 GLU N N 703 118.107 118.107 119.768 -1.661 18183 5880 1 10 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.232 0.073 18183 5881 1 10 . 1 1 45 45 GLU C C 703 176.308 176.308 176.800 -0.492 18183 5882 1 10 . 1 1 45 45 GLU H H 703 7.638 7.638 8.823 -1.185 18183 5883 1 10 . 1 1 46 46 ALA N N 704 122.161 122.161 120.334 1.827 18183 5884 1 10 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.416 -0.281 18183 5885 1 10 . 1 1 46 46 ALA C C 704 178.439 178.439 177.221 1.218 18183 5886 1 10 . 1 1 46 46 ALA H H 704 8.596 8.596 7.767 0.829 18183 5887 1 10 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.293 0.353 18183 5888 1 10 . 1 1 47 47 GLU C C 705 175.340 175.340 175.222 0.118 18183 5889 1 10 . 1 1 47 47 GLU H H 705 7.642 7.642 8.546 -0.904 18183 5890 1 10 . 1 1 48 48 ARG N N 706 122.871 122.871 121.723 1.148 18183 5891 1 10 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.476 0.164 18183 5892 1 10 . 1 1 48 48 ARG C C 706 175.645 175.645 174.127 1.518 18183 5893 1 10 . 1 1 48 48 ARG H H 706 8.163 8.163 8.289 -0.126 18183 5894 1 10 . 1 1 49 49 PHE N N 707 113.719 113.719 120.028 -6.309 18183 5895 1 10 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.905 0.879 18183 5896 1 10 . 1 1 49 49 PHE C C 707 174.536 174.536 173.882 0.654 18183 5897 1 10 . 1 1 49 49 PHE H H 707 8.370 8.370 7.589 0.781 18183 5898 1 10 . 1 1 50 50 ALA N N 708 119.650 119.650 125.987 -6.337 18183 5899 1 10 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.570 -0.450 18183 5900 1 10 . 1 1 50 50 ALA C C 708 175.964 175.964 175.354 0.610 18183 5901 1 10 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.403 0.610 18183 5902 1 10 . 1 1 50 50 ALA CB C 708 21.880 21.880 23.189 -1.309 18183 5903 1 10 . 1 1 50 50 ALA H H 708 8.868 8.868 8.747 0.121 18183 5904 1 10 . 1 1 51 51 ILE N N 709 121.077 121.077 120.477 0.600 18183 5905 1 10 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.589 0.058 18183 5906 1 10 . 1 1 51 51 ILE C C 709 175.049 175.049 174.656 0.393 18183 5907 1 10 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.661 -0.162 18183 5908 1 10 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.916 -0.920 18183 5909 1 10 . 1 1 51 51 ILE H H 709 9.130 9.130 9.067 0.063 18183 5910 1 10 . 1 1 52 52 SER N N 710 125.122 125.122 122.594 2.528 18183 5911 1 10 . 1 1 52 52 SER HA H 710 5.454 5.454 5.442 0.012 18183 5912 1 10 . 1 1 52 52 SER C C 710 172.024 172.024 172.911 -0.887 18183 5913 1 10 . 1 1 52 52 SER CA C 710 57.614 57.614 56.655 0.959 18183 5914 1 10 . 1 1 52 52 SER CB C 710 64.989 64.989 64.767 0.222 18183 5915 1 10 . 1 1 52 52 SER H H 710 9.204 9.204 8.527 0.677 18183 5916 1 10 . 1 1 53 53 ILE N N 711 121.512 121.512 125.007 -3.495 18183 5917 1 10 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.068 0.071 18183 5918 1 10 . 1 1 53 53 ILE C C 711 173.093 173.093 173.437 -0.344 18183 5919 1 10 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.186 -1.553 18183 5920 1 10 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.029 -0.206 18183 5921 1 10 . 1 1 53 53 ILE H H 711 8.825 8.825 8.047 0.778 18183 5922 1 10 . 1 1 54 54 LYS N N 712 128.814 128.814 124.414 4.400 18183 5923 1 10 . 1 1 54 54 LYS HA H 712 4.755 4.755 4.778 -0.023 18183 5924 1 10 . 1 1 54 54 LYS C C 712 174.850 174.850 174.988 -0.138 18183 5925 1 10 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.829 -0.584 18183 5926 1 10 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.337 -0.003 18183 5927 1 10 . 1 1 54 54 LYS H H 712 8.863 8.863 8.496 0.367 18183 5928 1 10 . 1 1 55 55 PHE N N 713 130.119 130.119 125.041 5.078 18183 5929 1 10 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.687 0.181 18183 5930 1 10 . 1 1 55 55 PHE C C 713 174.223 174.223 174.185 0.038 18183 5931 1 10 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.535 0.614 18183 5932 1 10 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.418 -1.816 18183 5933 1 10 . 1 1 55 55 PHE H H 713 9.373 9.373 8.408 0.965 18183 5934 1 10 . 1 1 56 56 ASN N N 714 125.766 125.766 122.033 3.733 18183 5935 1 10 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.166 -0.268 18183 5936 1 10 . 1 1 56 56 ASN C C 714 173.945 173.945 173.992 -0.047 18183 5937 1 10 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.302 0.704 18183 5938 1 10 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.158 -1.196 18183 5939 1 10 . 1 1 56 56 ASN H H 714 8.364 8.364 8.159 0.205 18183 5940 1 10 . 1 1 57 57 ASP N N 715 117.708 117.708 113.535 4.173 18183 5941 1 10 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.193 0.358 18183 5942 1 10 . 1 1 57 57 ASP C C 715 174.766 174.766 175.047 -0.281 18183 5943 1 10 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.584 -0.539 18183 5944 1 10 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.262 0.315 18183 5945 1 10 . 1 1 57 57 ASP H H 715 8.536 8.536 8.468 0.068 18183 5946 1 10 . 1 1 58 58 GLU N N 716 118.715 118.715 116.920 1.795 18183 5947 1 10 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.597 0.068 18183 5948 1 10 . 1 1 58 58 GLU C C 716 173.786 173.786 174.394 -0.608 18183 5949 1 10 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.188 -0.246 18183 5950 1 10 . 1 1 58 58 GLU CB C 716 34.163 34.163 33.942 0.221 18183 5951 1 10 . 1 1 58 58 GLU H H 716 7.873 7.873 7.746 0.127 18183 5952 1 10 . 1 1 59 59 VAL N N 717 120.798 120.798 123.143 -2.345 18183 5953 1 10 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.577 -0.204 18183 5954 1 10 . 1 1 59 59 VAL C C 717 175.325 175.325 175.692 -0.367 18183 5955 1 10 . 1 1 59 59 VAL CA C 717 61.939 61.939 60.633 1.306 18183 5956 1 10 . 1 1 59 59 VAL CB C 717 32.017 32.017 30.423 1.594 18183 5957 1 10 . 1 1 59 59 VAL H H 717 8.473 8.473 8.525 -0.052 18183 5958 1 10 . 1 1 60 60 LYS N N 718 127.136 127.136 126.886 0.250 18183 5959 1 10 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.393 0.038 18183 5960 1 10 . 1 1 60 60 LYS C C 718 174.439 174.439 174.955 -0.516 18183 5961 1 10 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.376 -1.567 18183 5962 1 10 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.427 -1.322 18183 5963 1 10 . 1 1 60 60 LYS H H 718 8.903 8.903 7.735 1.168 18183 5964 1 10 . 1 1 61 61 HIS N N 719 119.956 119.956 119.666 0.290 18183 5965 1 10 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.960 0.263 18183 5966 1 10 . 1 1 61 61 HIS C C 719 175.173 175.173 174.876 0.297 18183 5967 1 10 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.875 0.285 18183 5968 1 10 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.103 3.779 18183 5969 1 10 . 1 1 61 61 HIS H H 719 8.422 8.422 8.466 -0.044 18183 5970 1 10 . 1 1 62 62 ILE N N 720 126.629 126.629 124.894 1.735 18183 5971 1 10 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.018 0.118 18183 5972 1 10 . 1 1 62 62 ILE C C 720 175.372 175.372 175.745 -0.373 18183 5973 1 10 . 1 1 62 62 ILE CA C 720 59.976 59.976 62.296 -2.320 18183 5974 1 10 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.770 2.258 18183 5975 1 10 . 1 1 62 62 ILE H H 720 9.646 9.646 8.657 0.989 18183 5976 1 10 . 1 1 63 63 LYS N N 721 127.276 127.276 127.562 -0.286 18183 5977 1 10 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.828 -0.601 18183 5978 1 10 . 1 1 63 63 LYS C C 721 174.877 174.877 175.905 -1.028 18183 5979 1 10 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.116 2.424 18183 5980 1 10 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.715 -0.666 18183 5981 1 10 . 1 1 63 63 LYS H H 721 8.741 8.741 8.429 0.312 18183 5982 1 10 . 1 1 64 64 VAL N N 722 123.343 123.343 125.071 -1.728 18183 5983 1 10 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.223 -0.050 18183 5984 1 10 . 1 1 64 64 VAL C C 722 174.522 174.522 174.665 -0.143 18183 5985 1 10 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.594 -0.099 18183 5986 1 10 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.186 -2.794 18183 5987 1 10 . 1 1 64 64 VAL H H 722 8.166 8.166 8.946 -0.780 18183 5988 1 10 . 1 1 65 65 VAL N N 723 127.934 127.934 124.668 3.266 18183 5989 1 10 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.463 -0.317 18183 5990 1 10 . 1 1 65 65 VAL C C 723 174.212 174.212 174.299 -0.087 18183 5991 1 10 . 1 1 65 65 VAL CA C 723 61.751 61.751 61.435 0.316 18183 5992 1 10 . 1 1 65 65 VAL CB C 723 33.279 33.279 35.326 -2.047 18183 5993 1 10 . 1 1 65 65 VAL H H 723 8.469 8.469 8.056 0.413 18183 5994 1 10 . 1 1 66 66 GLU N N 724 125.632 125.632 127.927 -2.295 18183 5995 1 10 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.240 -0.084 18183 5996 1 10 . 1 1 66 66 GLU C C 724 175.573 175.573 175.369 0.204 18183 5997 1 10 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.348 -0.791 18183 5998 1 10 . 1 1 66 66 GLU CB C 724 32.441 32.441 30.862 1.579 18183 5999 1 10 . 1 1 66 66 GLU H H 724 8.518 8.518 8.823 -0.305 18183 6000 1 10 . 1 1 67 67 LYS N N 725 125.857 125.857 123.880 1.977 18183 6001 1 10 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.568 -0.116 18183 6002 1 10 . 1 1 67 67 LYS C C 725 175.624 175.624 175.366 0.258 18183 6003 1 10 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.549 0.705 18183 6004 1 10 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.215 -0.174 18183 6005 1 10 . 1 1 67 67 LYS H H 725 8.671 8.671 8.362 0.309 18183 6006 1 10 . 1 1 68 68 ASP N N 726 127.302 127.302 122.964 4.338 18183 6007 1 10 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.408 -0.217 18183 6008 1 10 . 1 1 68 68 ASP C C 726 174.291 174.291 175.254 -0.963 18183 6009 1 10 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.407 0.615 18183 6010 1 10 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.419 -0.028 18183 6011 1 10 . 1 1 68 68 ASP H H 726 9.485 9.485 8.928 0.557 18183 6012 1 10 . 1 1 69 69 ASN N N 727 110.250 110.250 110.631 -0.381 18183 6013 1 10 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.275 -0.052 18183 6014 1 10 . 1 1 69 69 ASN C C 727 173.825 173.825 173.679 0.146 18183 6015 1 10 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.646 0.026 18183 6016 1 10 . 1 1 69 69 ASN CB C 727 37.344 37.344 37.509 -0.165 18183 6017 1 10 . 1 1 69 69 ASN H H 727 8.344 8.344 8.687 -0.343 18183 6018 1 10 . 1 1 70 70 TRP N N 728 119.098 119.098 116.449 2.649 18183 6019 1 10 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.827 0.489 18183 6020 1 10 . 1 1 70 70 TRP C C 728 174.989 174.989 174.372 0.617 18183 6021 1 10 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.528 0.184 18183 6022 1 10 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.810 0.533 18183 6023 1 10 . 1 1 70 70 TRP H H 728 8.050 8.050 7.728 0.322 18183 6024 1 10 . 1 1 71 71 ILE N N 729 121.706 121.706 121.140 0.566 18183 6025 1 10 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.323 0.189 18183 6026 1 10 . 1 1 71 71 ILE C C 729 175.265 175.265 173.743 1.522 18183 6027 1 10 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.304 -0.510 18183 6028 1 10 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.514 -0.423 18183 6029 1 10 . 1 1 71 71 ILE H H 729 9.298 9.298 9.297 0.001 18183 6030 1 10 . 1 1 72 72 HIS N N 730 121.063 121.063 124.015 -2.952 18183 6031 1 10 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.099 0.052 18183 6032 1 10 . 1 1 72 72 HIS C C 730 173.774 173.774 174.030 -0.256 18183 6033 1 10 . 1 1 72 72 HIS CA C 730 56.519 56.519 54.823 1.696 18183 6034 1 10 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.083 1.426 18183 6035 1 10 . 1 1 72 72 HIS H H 730 9.024 9.024 8.982 0.042 18183 6036 1 10 . 1 1 73 73 ILE N N 731 112.363 112.363 116.099 -3.736 18183 6037 1 10 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.604 0.292 18183 6038 1 10 . 1 1 73 73 ILE CA C 731 62.302 62.302 60.627 1.675 18183 6039 1 10 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.424 0.963 18183 6040 1 10 . 1 1 73 73 ILE H H 731 9.425 9.425 8.851 0.574 18183 6041 1 10 . 1 1 74 74 THR N N 732 117.292 117.292 114.330 2.962 18183 6042 1 10 . 1 1 74 74 THR HA H 732 4.679 4.679 4.308 0.371 18183 6043 1 10 . 1 1 74 74 THR C C 732 173.467 173.467 173.571 -0.104 18183 6044 1 10 . 1 1 74 74 THR CA C 732 59.795 59.795 61.482 -1.687 18183 6045 1 10 . 1 1 74 74 THR CB C 732 69.896 69.896 70.603 -0.707 18183 6046 1 10 . 1 1 74 74 THR H H 732 8.421 8.421 7.482 0.939 18183 6047 1 10 . 1 1 75 75 GLU N N 733 123.689 123.689 122.082 1.607 18183 6048 1 10 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.270 -1.296 18183 6049 1 10 . 1 1 75 75 GLU C C 733 175.819 175.819 175.520 0.299 18183 6050 1 10 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.589 2.309 18183 6051 1 10 . 1 1 75 75 GLU CB C 733 28.991 28.991 28.922 0.068 18183 6052 1 10 . 1 1 75 75 GLU H H 733 8.615 8.615 8.592 0.023 18183 6053 1 10 . 1 1 76 76 ALA N N 734 117.705 117.705 121.817 -4.112 18183 6054 1 10 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.281 -0.369 18183 6055 1 10 . 1 1 76 76 ALA C C 734 177.024 177.024 177.050 -0.026 18183 6056 1 10 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.718 0.544 18183 6057 1 10 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.254 -0.457 18183 6058 1 10 . 1 1 76 76 ALA H H 734 7.654 7.654 7.746 -0.092 18183 6059 1 10 . 1 1 77 77 LYS N N 735 119.239 119.239 119.619 -0.380 18183 6060 1 10 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.316 -0.225 18183 6061 1 10 . 1 1 77 77 LYS C C 735 172.048 172.048 174.476 -2.428 18183 6062 1 10 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.556 -1.183 18183 6063 1 10 . 1 1 77 77 LYS CB C 735 33.343 33.343 34.466 -1.123 18183 6064 1 10 . 1 1 77 77 LYS H H 735 7.214 7.214 7.967 -0.753 18183 6065 1 10 . 1 1 78 78 LYS N N 736 123.194 123.194 122.097 1.097 18183 6066 1 10 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.537 0.200 18183 6067 1 10 . 1 1 78 78 LYS C C 736 174.901 174.901 174.895 0.006 18183 6068 1 10 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.068 -0.365 18183 6069 1 10 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.982 1.111 18183 6070 1 10 . 1 1 78 78 LYS H H 736 7.850 7.850 7.820 0.030 18183 6071 1 10 . 1 1 79 79 PHE N N 737 117.645 117.645 120.522 -2.877 18183 6072 1 10 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.968 -0.042 18183 6073 1 10 . 1 1 79 79 PHE C C 737 175.500 175.500 175.754 -0.254 18183 6074 1 10 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.463 -0.550 18183 6075 1 10 . 1 1 79 79 PHE CB C 737 43.468 43.468 43.085 0.383 18183 6076 1 10 . 1 1 79 79 PHE H H 737 9.079 9.079 8.728 0.351 18183 6077 1 10 . 1 1 80 80 ASP N N 738 119.264 119.264 119.094 0.170 18183 6078 1 10 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.816 0.901 18183 6079 1 10 . 1 1 80 80 ASP C C 738 176.014 176.014 176.155 -0.141 18183 6080 1 10 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.418 0.227 18183 6081 1 10 . 1 1 80 80 ASP CB C 738 41.720 41.720 40.938 0.782 18183 6082 1 10 . 1 1 80 80 ASP H H 738 9.332 9.332 8.901 0.431 18183 6083 1 10 . 1 1 81 81 SER N N 739 108.541 108.541 113.485 -4.944 18183 6084 1 10 . 1 1 81 81 SER HA H 739 4.649 4.649 4.713 -0.064 18183 6085 1 10 . 1 1 81 81 SER C C 739 173.719 173.719 174.980 -1.261 18183 6086 1 10 . 1 1 81 81 SER CA C 739 57.148 57.148 55.843 1.305 18183 6087 1 10 . 1 1 81 81 SER CB C 739 66.475 66.475 66.114 0.361 18183 6088 1 10 . 1 1 81 81 SER H H 739 7.379 7.379 7.349 0.030 18183 6089 1 10 . 1 1 82 82 LEU N N 740 122.926 122.926 125.535 -2.609 18183 6090 1 10 . 1 1 82 82 LEU HA H 740 3.756 3.756 4.047 -0.291 18183 6091 1 10 . 1 1 82 82 LEU C C 740 177.267 177.267 178.142 -0.875 18183 6092 1 10 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.295 -0.461 18183 6093 1 10 . 1 1 82 82 LEU CB C 740 40.583 40.583 42.294 -1.711 18183 6094 1 10 . 1 1 82 82 LEU H H 740 8.939 8.939 9.090 -0.151 18183 6095 1 10 . 1 1 83 83 LEU N N 741 116.722 116.722 118.781 -2.059 18183 6096 1 10 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.823 -0.048 18183 6097 1 10 . 1 1 83 83 LEU C C 741 177.528 177.528 178.161 -0.633 18183 6098 1 10 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.764 -0.625 18183 6099 1 10 . 1 1 83 83 LEU CB C 741 41.677 41.677 40.968 0.709 18183 6100 1 10 . 1 1 83 83 LEU H H 741 7.814 7.814 8.515 -0.701 18183 6101 1 10 . 1 1 84 84 GLU N N 742 116.747 116.747 118.955 -2.208 18183 6102 1 10 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.969 -0.102 18183 6103 1 10 . 1 1 84 84 GLU C C 742 178.282 178.282 178.717 -0.435 18183 6104 1 10 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.588 -0.449 18183 6105 1 10 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.324 1.109 18183 6106 1 10 . 1 1 84 84 GLU H H 742 7.541 7.541 7.664 -0.123 18183 6107 1 10 . 1 1 85 85 LEU N N 743 122.157 122.157 120.763 1.394 18183 6108 1 10 . 1 1 85 85 LEU HA H 743 1.963 1.963 1.984 -0.021 18183 6109 1 10 . 1 1 85 85 LEU C C 743 177.315 177.315 178.091 -0.776 18183 6110 1 10 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.332 1.407 18183 6111 1 10 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.805 -0.090 18183 6112 1 10 . 1 1 85 85 LEU H H 743 7.076 7.076 7.234 -0.158 18183 6113 1 10 . 1 1 86 86 VAL N N 744 119.754 119.754 118.110 1.644 18183 6114 1 10 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.314 -0.524 18183 6115 1 10 . 1 1 86 86 VAL C C 744 177.621 177.621 178.228 -0.607 18183 6116 1 10 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.485 0.359 18183 6117 1 10 . 1 1 86 86 VAL CB C 744 30.965 30.965 31.145 -0.180 18183 6118 1 10 . 1 1 86 86 VAL H H 744 8.116 8.116 8.082 0.034 18183 6119 1 10 . 1 1 87 87 GLU N N 745 116.169 116.169 117.682 -1.513 18183 6120 1 10 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.844 -0.129 18183 6121 1 10 . 1 1 87 87 GLU C C 745 179.560 179.560 178.480 1.080 18183 6122 1 10 . 1 1 87 87 GLU CA C 745 59.322 59.322 58.860 0.462 18183 6123 1 10 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.588 -0.502 18183 6124 1 10 . 1 1 87 87 GLU H H 745 8.168 8.168 7.793 0.375 18183 6125 1 10 . 1 1 88 88 TYR N N 746 120.022 120.022 120.233 -0.211 18183 6126 1 10 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.169 -0.076 18183 6127 1 10 . 1 1 88 88 TYR C C 746 180.010 180.010 177.515 2.495 18183 6128 1 10 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.394 1.200 18183 6129 1 10 . 1 1 88 88 TYR CB C 746 38.828 38.828 39.237 -0.409 18183 6130 1 10 . 1 1 88 88 TYR H H 746 7.774 7.774 7.151 0.623 18183 6131 1 10 . 1 1 89 89 TYR N N 747 118.480 118.480 116.844 1.636 18183 6132 1 10 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.563 0.492 18183 6133 1 10 . 1 1 89 89 TYR C C 747 175.796 175.796 176.232 -0.436 18183 6134 1 10 . 1 1 89 89 TYR CA C 747 61.137 61.137 56.097 5.040 18183 6135 1 10 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.081 -0.151 18183 6136 1 10 . 1 1 89 89 TYR H H 747 7.782 7.782 8.039 -0.257 18183 6137 1 10 . 1 1 90 90 GLN N N 748 118.696 118.696 117.699 0.997 18183 6138 1 10 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.544 0.845 18183 6139 1 10 . 1 1 90 90 GLN C C 748 177.777 177.777 176.216 1.561 18183 6140 1 10 . 1 1 90 90 GLN CA C 748 57.717 57.717 57.828 -0.111 18183 6141 1 10 . 1 1 90 90 GLN CB C 748 28.520 28.520 27.825 0.695 18183 6142 1 10 . 1 1 90 90 GLN H H 748 7.838 7.838 7.515 0.323 18183 6143 1 10 . 1 1 91 91 CYS N N 749 111.118 111.118 117.049 -5.931 18183 6144 1 10 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.336 0.266 18183 6145 1 10 . 1 1 91 91 CYS C C 749 172.887 172.887 174.679 -1.792 18183 6146 1 10 . 1 1 91 91 CYS CA C 749 57.434 57.434 59.438 -2.004 18183 6147 1 10 . 1 1 91 91 CYS CB C 749 29.266 29.266 29.085 0.181 18183 6148 1 10 . 1 1 91 91 CYS H H 749 7.145 7.145 7.404 -0.259 18183 6149 1 10 . 1 1 92 92 HIS N N 750 120.227 120.227 118.071 2.156 18183 6150 1 10 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.612 -0.280 18183 6151 1 10 . 1 1 92 92 HIS C C 750 171.842 171.842 174.164 -2.322 18183 6152 1 10 . 1 1 92 92 HIS CA C 750 55.077 55.077 53.822 1.254 18183 6153 1 10 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.983 -2.607 18183 6154 1 10 . 1 1 92 92 HIS H H 750 7.470 7.470 7.203 0.267 18183 6155 1 10 . 1 1 93 93 SER N N 751 113.120 113.120 115.484 -2.364 18183 6156 1 10 . 1 1 93 93 SER HA H 751 3.782 3.782 4.269 -0.487 18183 6157 1 10 . 1 1 93 93 SER C C 751 176.653 176.653 175.656 0.997 18183 6158 1 10 . 1 1 93 93 SER CA C 751 57.812 57.812 58.815 -1.003 18183 6159 1 10 . 1 1 93 93 SER CB C 751 62.783 62.783 63.854 -1.071 18183 6160 1 10 . 1 1 93 93 SER H H 751 8.404 8.404 8.682 -0.278 18183 6161 1 10 . 1 1 94 94 LEU N N 752 127.293 127.293 122.794 4.499 18183 6162 1 10 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.913 -0.844 18183 6163 1 10 . 1 1 94 94 LEU C C 752 177.524 177.524 176.849 0.675 18183 6164 1 10 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.047 2.349 18183 6165 1 10 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.910 1.577 18183 6166 1 10 . 1 1 94 94 LEU H H 752 8.553 8.553 8.286 0.267 18183 6167 1 10 . 1 1 95 95 LYS N N 753 122.249 122.249 117.476 4.773 18183 6168 1 10 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.304 0.024 18183 6169 1 10 . 1 1 95 95 LYS C C 753 176.426 176.426 176.937 -0.511 18183 6170 1 10 . 1 1 95 95 LYS CA C 753 57.554 57.554 57.890 -0.336 18183 6171 1 10 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.621 0.553 18183 6172 1 10 . 1 1 95 95 LYS H H 753 8.303 8.303 8.095 0.208 18183 6173 1 10 . 1 1 96 96 GLU N N 754 115.401 115.401 117.806 -2.405 18183 6174 1 10 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.084 0.001 18183 6175 1 10 . 1 1 96 96 GLU C C 754 176.838 176.838 177.185 -0.347 18183 6176 1 10 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.400 -0.303 18183 6177 1 10 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.596 -0.096 18183 6178 1 10 . 1 1 96 96 GLU H H 754 7.188 7.188 8.569 -1.381 18183 6179 1 10 . 1 1 97 97 SER N N 755 113.852 113.852 112.228 1.624 18183 6180 1 10 . 1 1 97 97 SER HA H 755 4.402 4.402 4.388 0.014 18183 6181 1 10 . 1 1 97 97 SER C C 755 172.067 172.067 173.957 -1.890 18183 6182 1 10 . 1 1 97 97 SER CA C 755 59.448 59.448 59.466 -0.018 18183 6183 1 10 . 1 1 97 97 SER CB C 755 65.680 65.680 64.918 0.761 18183 6184 1 10 . 1 1 97 97 SER H H 755 7.838 7.838 7.602 0.236 18183 6185 1 10 . 1 1 98 98 PHE N N 756 121.742 121.742 121.485 0.257 18183 6186 1 10 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.792 -0.222 18183 6187 1 10 . 1 1 98 98 PHE C C 756 174.941 174.941 176.020 -1.079 18183 6188 1 10 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.957 -0.209 18183 6189 1 10 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.168 0.113 18183 6190 1 10 . 1 1 98 98 PHE H H 756 8.223 8.223 7.936 0.287 18183 6191 1 10 . 1 1 99 99 LYS N N 757 122.713 122.713 125.062 -2.349 18183 6192 1 10 . 1 1 99 99 LYS HA H 757 4.071 4.071 3.974 0.097 18183 6193 1 10 . 1 1 99 99 LYS C C 757 176.793 176.793 177.986 -1.193 18183 6194 1 10 . 1 1 99 99 LYS CA C 757 59.157 59.157 60.239 -1.082 18183 6195 1 10 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.376 -0.043 18183 6196 1 10 . 1 1 99 99 LYS H H 757 8.388 8.388 8.578 -0.190 18183 6197 1 10 . 1 1 100 100 GLN N N 758 114.972 114.972 117.300 -2.328 18183 6198 1 10 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.171 -0.010 18183 6199 1 10 . 1 1 100 100 GLN C C 758 175.591 175.591 177.747 -2.156 18183 6200 1 10 . 1 1 100 100 GLN CA C 758 56.469 56.469 58.420 -1.951 18183 6201 1 10 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.552 -0.565 18183 6202 1 10 . 1 1 100 100 GLN H H 758 8.662 8.662 8.463 0.199 18183 6203 1 10 . 1 1 101 101 LEU N N 759 124.472 124.472 121.565 2.907 18183 6204 1 10 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.645 -0.966 18183 6205 1 10 . 1 1 101 101 LEU C C 759 173.228 173.228 174.910 -1.682 18183 6206 1 10 . 1 1 101 101 LEU CA C 759 52.325 52.325 53.080 -0.755 18183 6207 1 10 . 1 1 101 101 LEU CB C 759 41.512 41.512 41.601 -0.089 18183 6208 1 10 . 1 1 101 101 LEU H H 759 7.884 7.884 7.374 0.510 18183 6209 1 10 . 1 1 102 102 ASP N N 760 119.321 119.321 119.899 -0.578 18183 6210 1 10 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.588 -0.103 18183 6211 1 10 . 1 1 102 102 ASP C C 760 173.467 173.467 175.675 -2.208 18183 6212 1 10 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.571 -1.446 18183 6213 1 10 . 1 1 102 102 ASP CB C 760 39.028 39.028 39.275 -0.247 18183 6214 1 10 . 1 1 102 102 ASP H H 760 6.594 6.594 7.799 -1.205 18183 6215 1 10 . 1 1 103 103 THR N N 761 117.213 117.213 114.745 2.468 18183 6216 1 10 . 1 1 103 103 THR HA H 761 4.643 4.643 4.224 0.419 18183 6217 1 10 . 1 1 103 103 THR C C 761 172.158 172.158 172.477 -0.319 18183 6218 1 10 . 1 1 103 103 THR CA C 761 60.197 60.197 60.440 -0.243 18183 6219 1 10 . 1 1 103 103 THR CB C 761 69.046 69.046 70.038 -0.992 18183 6220 1 10 . 1 1 103 103 THR H H 761 7.637 7.637 7.497 0.140 18183 6221 1 10 . 1 1 104 104 THR N N 762 114.193 114.193 115.121 -0.928 18183 6222 1 10 . 1 1 104 104 THR HA H 762 4.569 4.569 4.225 0.344 18183 6223 1 10 . 1 1 104 104 THR C C 762 175.698 175.698 173.718 1.980 18183 6224 1 10 . 1 1 104 104 THR CA C 762 60.808 60.808 59.289 1.519 18183 6225 1 10 . 1 1 104 104 THR CB C 762 70.636 70.636 71.281 -0.645 18183 6226 1 10 . 1 1 104 104 THR H H 762 7.284 7.284 7.789 -0.505 18183 6227 1 10 . 1 1 105 105 LEU N N 763 117.473 117.473 122.313 -4.840 18183 6228 1 10 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.565 -0.102 18183 6229 1 10 . 1 1 105 105 LEU C C 763 174.348 174.348 176.205 -1.857 18183 6230 1 10 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.288 -1.306 18183 6231 1 10 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.454 -3.771 18183 6232 1 10 . 1 1 105 105 LEU H H 763 8.093 8.093 8.139 -0.045 18183 6233 1 10 . 1 1 106 106 LYS N N 764 127.491 127.491 122.765 4.726 18183 6234 1 10 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.194 -0.236 18183 6235 1 10 . 1 1 106 106 LYS C C 764 176.734 176.734 176.268 0.466 18183 6236 1 10 . 1 1 106 106 LYS CA C 764 59.696 59.696 56.714 2.982 18183 6237 1 10 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.775 1.392 18183 6238 1 10 . 1 1 106 106 LYS H H 764 7.118 7.118 7.973 -0.855 18183 6239 1 10 . 1 1 107 107 TYR N N 765 115.804 115.804 117.465 -1.661 18183 6240 1 10 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.917 0.547 18183 6241 1 10 . 1 1 107 107 TYR C C 765 172.048 172.048 172.744 -0.696 18183 6242 1 10 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.881 -2.362 18183 6243 1 10 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.530 1.846 18183 6244 1 10 . 1 1 107 107 TYR H H 765 7.848 7.848 7.633 0.215 18183 6245 1 10 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.343 -0.717 18183 6246 1 10 . 1 1 108 108 PRO C C 766 180.469 180.469 176.068 4.401 18183 6247 1 10 . 1 1 109 109 TYR N N 767 122.791 122.791 114.326 8.465 18183 6248 1 10 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.471 -0.687 18183 6249 1 10 . 1 1 109 109 TYR C C 767 174.575 174.575 177.100 -2.525 18183 6250 1 10 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.435 3.551 18183 6251 1 10 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.546 0.080 18183 6252 1 10 . 1 1 109 109 TYR H H 767 8.306 8.306 8.450 -0.144 18183 6253 1 10 . 1 1 110 110 LYS N N 768 118.817 118.817 122.083 -3.266 18183 6254 1 10 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.917 -0.014 18183 6255 1 10 . 1 1 110 110 LYS C C 768 176.259 176.259 176.443 -0.184 18183 6256 1 10 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.866 -2.271 18183 6257 1 10 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.364 0.241 18183 6258 1 10 . 1 1 110 110 LYS H H 768 6.785 6.785 8.224 -1.439 18183 6259 1 10 . 1 1 111 111 SER N N 769 114.539 114.539 110.446 4.093 18183 6260 1 10 . 1 1 111 111 SER HA H 769 4.317 4.317 4.498 -0.181 18183 6261 1 10 . 1 1 111 111 SER C C 769 174.092 174.092 173.771 0.321 18183 6262 1 10 . 1 1 111 111 SER CA C 769 58.647 58.647 58.818 -0.171 18183 6263 1 10 . 1 1 111 111 SER CB C 769 63.883 63.883 64.587 -0.704 18183 6264 1 10 . 1 1 111 111 SER H H 769 7.765 7.765 8.157 -0.392 18183 6265 1 10 . 1 1 112 112 ARG N N 770 122.458 122.458 121.615 0.843 18183 6266 1 10 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.284 0.038 18183 6267 1 10 . 1 1 112 112 ARG C C 770 175.130 175.130 174.936 0.194 18183 6268 1 10 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.506 -0.842 18183 6269 1 10 . 1 1 112 112 ARG CB C 770 30.880 30.880 29.157 1.723 18183 6270 1 10 . 1 1 112 112 ARG H H 770 8.082 8.082 8.208 -0.126 18183 6271 1 11 . 1 1 2 2 ARG N N 660 123.546 123.546 122.152 1.394 18183 6272 1 11 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.784 -0.208 18183 6273 1 11 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.006 -0.156 18183 6274 1 11 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.932 -0.585 18183 6275 1 11 . 1 1 2 2 ARG H H 660 8.258 8.258 8.460 -0.202 18183 6276 1 11 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.426 -0.070 18183 6277 1 11 . 1 1 4 4 PRO C C 662 177.047 177.047 176.315 0.732 18183 6278 1 11 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.751 0.470 18183 6279 1 11 . 1 1 4 4 PRO CB C 662 31.975 31.975 30.715 1.260 18183 6280 1 11 . 1 1 5 5 SER N N 663 116.108 116.108 119.316 -3.208 18183 6281 1 11 . 1 1 5 5 SER HA H 663 4.335 4.335 4.710 -0.375 18183 6282 1 11 . 1 1 5 5 SER C C 663 174.708 174.708 173.926 0.782 18183 6283 1 11 . 1 1 5 5 SER CA C 663 58.639 58.639 57.464 1.175 18183 6284 1 11 . 1 1 5 5 SER CB C 663 63.849 63.849 65.099 -1.250 18183 6285 1 11 . 1 1 5 5 SER H H 663 8.385 8.385 7.890 0.495 18183 6286 1 11 . 1 1 6 6 ARG N N 664 122.132 122.132 120.407 1.725 18183 6287 1 11 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.570 -0.251 18183 6288 1 11 . 1 1 6 6 ARG C C 664 175.951 175.951 175.045 0.906 18183 6289 1 11 . 1 1 6 6 ARG CA C 664 55.931 55.931 55.578 0.353 18183 6290 1 11 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.946 -0.114 18183 6291 1 11 . 1 1 6 6 ARG H H 664 8.347 8.347 8.531 -0.184 18183 6292 1 11 . 1 1 7 7 GLU N N 665 122.268 122.268 120.172 2.096 18183 6293 1 11 . 1 1 7 7 GLU HA H 665 4.262 4.262 3.934 0.328 18183 6294 1 11 . 1 1 7 7 GLU C C 665 175.809 175.809 175.318 0.491 18183 6295 1 11 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.467 -0.297 18183 6296 1 11 . 1 1 7 7 GLU CB C 665 29.908 29.908 29.195 0.713 18183 6297 1 11 . 1 1 7 7 GLU H H 665 8.336 8.336 8.583 -0.247 18183 6298 1 11 . 1 1 8 8 ILE N N 666 123.984 123.984 122.902 1.082 18183 6299 1 11 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.061 -0.281 18183 6300 1 11 . 1 1 8 8 ILE C C 666 174.325 174.325 175.940 -1.615 18183 6301 1 11 . 1 1 8 8 ILE CA C 666 60.809 60.809 61.749 -0.940 18183 6302 1 11 . 1 1 8 8 ILE CB C 666 39.233 39.233 37.901 1.332 18183 6303 1 11 . 1 1 8 8 ILE H H 666 7.920 7.920 8.112 -0.192 18183 6304 1 11 . 1 1 9 9 ASP N N 667 124.228 124.228 127.143 -2.915 18183 6305 1 11 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.620 -0.052 18183 6306 1 11 . 1 1 9 9 ASP C C 667 177.001 177.001 176.138 0.863 18183 6307 1 11 . 1 1 9 9 ASP CA C 667 51.991 51.991 52.766 -0.775 18183 6308 1 11 . 1 1 9 9 ASP CB C 667 40.310 40.310 40.822 -0.512 18183 6309 1 11 . 1 1 9 9 ASP H H 667 8.072 8.072 8.520 -0.448 18183 6310 1 11 . 1 1 10 10 TYR N N 668 125.329 125.329 120.527 4.802 18183 6311 1 11 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.074 0.054 18183 6312 1 11 . 1 1 10 10 TYR C C 668 175.901 175.901 176.961 -1.060 18183 6313 1 11 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.750 0.807 18183 6314 1 11 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.260 -1.094 18183 6315 1 11 . 1 1 10 10 TYR H H 668 8.493 8.493 8.100 0.393 18183 6316 1 11 . 1 1 11 11 THR N N 669 108.533 108.533 110.815 -2.282 18183 6317 1 11 . 1 1 11 11 THR HA H 669 4.082 4.082 3.551 0.531 18183 6318 1 11 . 1 1 11 11 THR C C 669 175.170 175.170 175.161 0.009 18183 6319 1 11 . 1 1 11 11 THR CA C 669 64.701 64.701 64.099 0.602 18183 6320 1 11 . 1 1 11 11 THR CB C 669 68.924 68.924 68.079 0.845 18183 6321 1 11 . 1 1 11 11 THR H H 669 7.948 7.948 7.570 0.378 18183 6322 1 11 . 1 1 12 12 ALA N N 670 121.252 121.252 122.554 -1.302 18183 6323 1 11 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.024 -0.001 18183 6324 1 11 . 1 1 12 12 ALA C C 670 177.747 177.747 177.524 0.223 18183 6325 1 11 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.996 -0.497 18183 6326 1 11 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.495 0.732 18183 6327 1 11 . 1 1 12 12 ALA H H 670 7.366 7.366 7.413 -0.047 18183 6328 1 11 . 1 1 13 13 TYR N N 671 117.895 117.895 117.647 0.248 18183 6329 1 11 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.321 -0.069 18183 6330 1 11 . 1 1 13 13 TYR C C 671 176.545 176.545 174.598 1.947 18183 6331 1 11 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.881 0.591 18183 6332 1 11 . 1 1 13 13 TYR CB C 671 36.559 36.559 36.899 -0.340 18183 6333 1 11 . 1 1 13 13 TYR H H 671 7.490 7.490 7.140 0.350 18183 6334 1 11 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.235 0.065 18183 6335 1 11 . 1 1 14 14 PRO C C 672 173.638 173.638 176.300 -2.662 18183 6336 1 11 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.198 -0.447 18183 6337 1 11 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.039 -0.795 18183 6338 1 11 . 1 1 15 15 TRP N N 673 109.940 109.940 113.084 -3.144 18183 6339 1 11 . 1 1 15 15 TRP HA H 673 4.706 4.706 5.141 -0.435 18183 6340 1 11 . 1 1 15 15 TRP C C 673 175.471 175.471 174.671 0.800 18183 6341 1 11 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.806 -1.956 18183 6342 1 11 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.230 4.206 18183 6343 1 11 . 1 1 15 15 TRP H H 673 6.184 6.184 7.319 -1.135 18183 6344 1 11 . 1 1 16 16 PHE N N 674 123.228 123.228 120.763 2.465 18183 6345 1 11 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.965 0.136 18183 6346 1 11 . 1 1 16 16 PHE C C 674 174.684 174.684 174.190 0.494 18183 6347 1 11 . 1 1 16 16 PHE CA C 674 59.566 59.566 57.187 2.379 18183 6348 1 11 . 1 1 16 16 PHE CB C 674 39.968 39.968 42.129 -2.161 18183 6349 1 11 . 1 1 16 16 PHE H H 674 7.585 7.585 7.684 -0.099 18183 6350 1 11 . 1 1 17 17 ALA N N 675 130.573 130.573 127.015 3.558 18183 6351 1 11 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.914 -0.072 18183 6352 1 11 . 1 1 17 17 ALA C C 675 177.161 177.161 176.864 0.297 18183 6353 1 11 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.635 -0.467 18183 6354 1 11 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.497 0.471 18183 6355 1 11 . 1 1 17 17 ALA H H 675 9.004 9.004 8.619 0.385 18183 6356 1 11 . 1 1 18 18 GLY C C 676 174.000 174.000 174.397 -0.397 18183 6357 1 11 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.845 1.645 18183 6358 1 11 . 1 1 19 19 ASN N N 677 124.182 124.182 121.142 3.040 18183 6359 1 11 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.856 0.150 18183 6360 1 11 . 1 1 19 19 ASN C C 677 174.916 174.916 175.383 -0.467 18183 6361 1 11 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.646 -1.041 18183 6362 1 11 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.734 -0.669 18183 6363 1 11 . 1 1 19 19 ASN H H 677 8.657 8.657 8.630 0.027 18183 6364 1 11 . 1 1 20 20 MET N N 678 122.806 122.806 122.053 0.753 18183 6365 1 11 . 1 1 20 20 MET HA H 678 4.173 4.173 4.623 -0.450 18183 6366 1 11 . 1 1 20 20 MET C C 678 175.317 175.317 175.340 -0.023 18183 6367 1 11 . 1 1 20 20 MET CA C 678 56.274 56.274 54.563 1.711 18183 6368 1 11 . 1 1 20 20 MET CB C 678 35.581 35.581 34.529 1.052 18183 6369 1 11 . 1 1 20 20 MET H H 678 7.158 7.158 8.015 -0.857 18183 6370 1 11 . 1 1 21 21 GLU N N 679 124.655 124.655 119.130 5.525 18183 6371 1 11 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.646 -0.445 18183 6372 1 11 . 1 1 21 21 GLU C C 679 178.105 178.105 177.202 0.903 18183 6373 1 11 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.128 0.888 18183 6374 1 11 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.829 0.061 18183 6375 1 11 . 1 1 21 21 GLU H H 679 8.687 8.687 8.498 0.189 18183 6376 1 11 . 1 1 22 22 ARG N N 680 125.764 125.764 123.987 1.777 18183 6377 1 11 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.967 -0.687 18183 6378 1 11 . 1 1 22 22 ARG C C 680 177.559 177.559 178.552 -0.993 18183 6379 1 11 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.764 0.290 18183 6380 1 11 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.250 -0.382 18183 6381 1 11 . 1 1 22 22 ARG H H 680 9.191 9.191 8.930 0.261 18183 6382 1 11 . 1 1 23 23 GLN N N 681 118.109 118.109 119.229 -1.120 18183 6383 1 11 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.074 -0.081 18183 6384 1 11 . 1 1 23 23 GLN C C 681 178.252 178.252 178.176 0.076 18183 6385 1 11 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.485 0.114 18183 6386 1 11 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.814 -0.049 18183 6387 1 11 . 1 1 23 23 GLN H H 681 9.085 9.085 8.670 0.415 18183 6388 1 11 . 1 1 24 24 GLN N N 682 118.128 118.128 117.533 0.595 18183 6389 1 11 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.028 0.023 18183 6390 1 11 . 1 1 24 24 GLN C C 682 178.328 178.328 178.748 -0.420 18183 6391 1 11 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.385 -0.620 18183 6392 1 11 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.263 -0.031 18183 6393 1 11 . 1 1 24 24 GLN H H 682 7.287 7.287 8.529 -1.242 18183 6394 1 11 . 1 1 25 25 THR N N 683 116.436 116.436 115.239 1.197 18183 6395 1 11 . 1 1 25 25 THR HA H 683 3.641 3.641 3.956 -0.315 18183 6396 1 11 . 1 1 25 25 THR CA C 683 67.504 67.504 67.108 0.396 18183 6397 1 11 . 1 1 25 25 THR CB C 683 67.667 67.667 68.089 -0.422 18183 6398 1 11 . 1 1 25 25 THR H H 683 7.813 7.813 8.080 -0.267 18183 6399 1 11 . 1 1 26 26 ASP N N 684 123.084 123.084 122.139 0.945 18183 6400 1 11 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.412 -0.184 18183 6401 1 11 . 1 1 26 26 ASP C C 684 178.426 178.426 177.431 0.995 18183 6402 1 11 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.368 0.652 18183 6403 1 11 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.119 -1.293 18183 6404 1 11 . 1 1 26 26 ASP H H 684 8.384 8.384 8.119 0.265 18183 6405 1 11 . 1 1 27 27 ASN N N 685 116.068 116.068 116.366 -0.298 18183 6406 1 11 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.547 -0.228 18183 6407 1 11 . 1 1 27 27 ASN C C 685 177.207 177.207 177.069 0.138 18183 6408 1 11 . 1 1 27 27 ASN CA C 685 55.747 55.747 54.668 1.079 18183 6409 1 11 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.373 -0.176 18183 6410 1 11 . 1 1 27 27 ASN H H 685 7.667 7.667 8.333 -0.666 18183 6411 1 11 . 1 1 28 28 LEU N N 686 120.906 120.906 119.549 1.357 18183 6412 1 11 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.188 -0.019 18183 6413 1 11 . 1 1 28 28 LEU C C 686 179.394 179.394 177.954 1.440 18183 6414 1 11 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.168 0.653 18183 6415 1 11 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.051 0.641 18183 6416 1 11 . 1 1 28 28 LEU H H 686 7.993 7.993 7.769 0.224 18183 6417 1 11 . 1 1 29 29 LEU N N 687 114.941 114.941 114.321 0.620 18183 6418 1 11 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.599 -0.548 18183 6419 1 11 . 1 1 29 29 LEU C C 687 178.742 178.742 176.511 2.231 18183 6420 1 11 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.297 2.140 18183 6421 1 11 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.186 1.656 18183 6422 1 11 . 1 1 29 29 LEU H H 687 8.166 8.166 7.639 0.527 18183 6423 1 11 . 1 1 30 30 LYS N N 688 118.446 118.446 117.976 0.470 18183 6424 1 11 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.178 -0.465 18183 6425 1 11 . 1 1 30 30 LYS C C 688 177.260 177.260 177.274 -0.014 18183 6426 1 11 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.081 2.397 18183 6427 1 11 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.794 -0.710 18183 6428 1 11 . 1 1 30 30 LYS H H 688 7.635 7.635 7.413 0.222 18183 6429 1 11 . 1 1 31 31 SER N N 689 111.039 111.039 112.953 -1.914 18183 6430 1 11 . 1 1 31 31 SER HA H 689 4.417 4.417 4.671 -0.254 18183 6431 1 11 . 1 1 31 31 SER C C 689 174.495 174.495 173.668 0.827 18183 6432 1 11 . 1 1 31 31 SER CA C 689 58.387 58.387 57.872 0.515 18183 6433 1 11 . 1 1 31 31 SER CB C 689 63.281 63.281 63.588 -0.307 18183 6434 1 11 . 1 1 31 31 SER H H 689 7.709 7.709 7.947 -0.238 18183 6435 1 11 . 1 1 32 32 HIS N N 690 120.253 120.253 121.295 -1.042 18183 6436 1 11 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.753 -0.177 18183 6437 1 11 . 1 1 32 32 HIS C C 690 173.913 173.913 174.657 -0.744 18183 6438 1 11 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.403 -0.327 18183 6439 1 11 . 1 1 32 32 HIS CB C 690 31.853 31.853 31.267 0.586 18183 6440 1 11 . 1 1 32 32 HIS H H 690 7.647 7.647 7.806 -0.159 18183 6441 1 11 . 1 1 33 33 ALA N N 691 120.403 120.403 122.239 -1.836 18183 6442 1 11 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.575 -0.297 18183 6443 1 11 . 1 1 33 33 ALA C C 691 179.503 179.503 176.659 2.844 18183 6444 1 11 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.653 0.065 18183 6445 1 11 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.546 -0.277 18183 6446 1 11 . 1 1 33 33 ALA H H 691 8.452 8.452 8.689 -0.237 18183 6447 1 11 . 1 1 34 34 SER N N 692 117.464 117.464 117.937 -0.473 18183 6448 1 11 . 1 1 34 34 SER HA H 692 4.047 4.047 4.467 -0.420 18183 6449 1 11 . 1 1 34 34 SER C C 692 175.307 175.307 175.682 -0.375 18183 6450 1 11 . 1 1 34 34 SER CA C 692 60.434 60.434 60.218 0.216 18183 6451 1 11 . 1 1 34 34 SER CB C 692 63.132 63.132 62.465 0.667 18183 6452 1 11 . 1 1 34 34 SER H H 692 9.002 9.002 8.625 0.377 18183 6453 1 11 . 1 1 35 35 GLY N N 693 113.364 113.364 114.938 -1.574 18183 6454 1 11 . 1 1 35 35 GLY C C 693 174.739 174.739 174.429 0.310 18183 6455 1 11 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.240 -0.390 18183 6456 1 11 . 1 1 35 35 GLY H H 693 9.873 9.873 9.429 0.444 18183 6457 1 11 . 1 1 36 36 THR N N 694 120.932 120.932 121.199 -0.267 18183 6458 1 11 . 1 1 36 36 THR HA H 694 5.923 5.923 4.733 1.190 18183 6459 1 11 . 1 1 36 36 THR C C 694 173.253 173.253 174.158 -0.905 18183 6460 1 11 . 1 1 36 36 THR CA C 694 63.429 63.429 63.657 -0.228 18183 6461 1 11 . 1 1 36 36 THR CB C 694 68.091 68.091 68.122 -0.031 18183 6462 1 11 . 1 1 36 36 THR H H 694 8.240 8.240 7.649 0.591 18183 6463 1 11 . 1 1 37 37 TYR N N 695 123.567 123.567 123.965 -0.398 18183 6464 1 11 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.043 0.933 18183 6465 1 11 . 1 1 37 37 TYR C C 695 171.737 171.737 173.657 -1.920 18183 6466 1 11 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.833 0.402 18183 6467 1 11 . 1 1 37 37 TYR CB C 695 44.289 44.289 40.768 3.521 18183 6468 1 11 . 1 1 37 37 TYR H H 695 8.765 8.765 8.593 0.172 18183 6469 1 11 . 1 1 38 38 LEU N N 696 115.294 115.294 117.456 -2.162 18183 6470 1 11 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.075 0.028 18183 6471 1 11 . 1 1 38 38 LEU C C 696 174.368 174.368 174.410 -0.042 18183 6472 1 11 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.902 -1.070 18183 6473 1 11 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.277 0.017 18183 6474 1 11 . 1 1 38 38 LEU H H 696 9.008 9.008 8.293 0.715 18183 6475 1 11 . 1 1 39 39 ILE N N 697 122.087 122.087 121.413 0.674 18183 6476 1 11 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.563 0.730 18183 6477 1 11 . 1 1 39 39 ILE C C 697 173.625 173.625 175.168 -1.543 18183 6478 1 11 . 1 1 39 39 ILE CA C 697 59.806 59.806 58.896 0.910 18183 6479 1 11 . 1 1 39 39 ILE CB C 697 38.766 38.766 39.741 -0.975 18183 6480 1 11 . 1 1 39 39 ILE H H 697 9.276 9.276 8.646 0.630 18183 6481 1 11 . 1 1 40 40 ARG N N 698 123.307 123.307 123.891 -0.584 18183 6482 1 11 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.658 0.486 18183 6483 1 11 . 1 1 40 40 ARG C C 698 173.789 173.789 174.379 -0.590 18183 6484 1 11 . 1 1 40 40 ARG CA C 698 52.171 52.171 54.109 -1.938 18183 6485 1 11 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.672 -0.246 18183 6486 1 11 . 1 1 40 40 ARG H H 698 9.032 9.032 8.132 0.900 18183 6487 1 11 . 1 1 41 41 GLU N N 699 122.502 122.502 119.465 3.037 18183 6488 1 11 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.635 0.356 18183 6489 1 11 . 1 1 41 41 GLU C C 699 175.788 175.788 174.891 0.897 18183 6490 1 11 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.692 -0.853 18183 6491 1 11 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.149 -0.226 18183 6492 1 11 . 1 1 41 41 GLU H H 699 8.453 8.453 8.461 -0.008 18183 6493 1 11 . 1 1 42 42 ARG N N 700 125.039 125.039 125.048 -0.009 18183 6494 1 11 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.713 -0.059 18183 6495 1 11 . 1 1 42 42 ARG H H 700 8.844 8.844 7.975 0.869 18183 6496 1 11 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.354 -0.139 18183 6497 1 11 . 1 1 43 43 PRO C C 701 176.485 176.485 175.890 0.595 18183 6498 1 11 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.036 0.994 18183 6499 1 11 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.823 -0.373 18183 6500 1 11 . 1 1 44 44 ALA N N 702 120.718 120.718 128.738 -8.020 18183 6501 1 11 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.477 -0.234 18183 6502 1 11 . 1 1 44 44 ALA C C 702 176.924 176.924 176.798 0.126 18183 6503 1 11 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.453 0.615 18183 6504 1 11 . 1 1 44 44 ALA CB C 702 19.427 19.427 21.073 -1.646 18183 6505 1 11 . 1 1 44 44 ALA H H 702 8.217 8.217 7.764 0.453 18183 6506 1 11 . 1 1 45 45 GLU N N 703 118.107 118.107 118.747 -0.640 18183 6507 1 11 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.276 0.029 18183 6508 1 11 . 1 1 45 45 GLU C C 703 176.308 176.308 178.189 -1.881 18183 6509 1 11 . 1 1 45 45 GLU H H 703 7.638 7.638 8.788 -1.150 18183 6510 1 11 . 1 1 46 46 ALA N N 704 122.161 122.161 121.551 0.610 18183 6511 1 11 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.394 -0.259 18183 6512 1 11 . 1 1 46 46 ALA C C 704 178.439 178.439 177.781 0.658 18183 6513 1 11 . 1 1 46 46 ALA H H 704 8.596 8.596 7.954 0.642 18183 6514 1 11 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.432 0.214 18183 6515 1 11 . 1 1 47 47 GLU C C 705 175.340 175.340 175.785 -0.445 18183 6516 1 11 . 1 1 47 47 GLU H H 705 7.642 7.642 8.053 -0.411 18183 6517 1 11 . 1 1 48 48 ARG N N 706 122.871 122.871 120.610 2.261 18183 6518 1 11 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.433 0.207 18183 6519 1 11 . 1 1 48 48 ARG C C 706 175.645 175.645 175.864 -0.219 18183 6520 1 11 . 1 1 48 48 ARG H H 706 8.163 8.163 8.022 0.141 18183 6521 1 11 . 1 1 49 49 PHE N N 707 113.719 113.719 115.548 -1.829 18183 6522 1 11 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.581 1.203 18183 6523 1 11 . 1 1 49 49 PHE C C 707 174.536 174.536 173.083 1.453 18183 6524 1 11 . 1 1 49 49 PHE H H 707 8.370 8.370 7.969 0.401 18183 6525 1 11 . 1 1 50 50 ALA N N 708 119.650 119.650 120.422 -0.772 18183 6526 1 11 . 1 1 50 50 ALA HA H 708 5.120 5.120 4.989 0.131 18183 6527 1 11 . 1 1 50 50 ALA C C 708 175.964 175.964 175.169 0.795 18183 6528 1 11 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.327 0.686 18183 6529 1 11 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.880 -1.000 18183 6530 1 11 . 1 1 50 50 ALA H H 708 8.868 8.868 8.167 0.701 18183 6531 1 11 . 1 1 51 51 ILE N N 709 121.077 121.077 117.767 3.310 18183 6532 1 11 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.454 0.193 18183 6533 1 11 . 1 1 51 51 ILE C C 709 175.049 175.049 174.311 0.738 18183 6534 1 11 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.178 0.321 18183 6535 1 11 . 1 1 51 51 ILE CB C 709 39.996 39.996 42.509 -2.513 18183 6536 1 11 . 1 1 51 51 ILE H H 709 9.130 9.130 8.560 0.570 18183 6537 1 11 . 1 1 52 52 SER N N 710 125.122 125.122 119.574 5.548 18183 6538 1 11 . 1 1 52 52 SER HA H 710 5.454 5.454 5.465 -0.011 18183 6539 1 11 . 1 1 52 52 SER C C 710 172.024 172.024 173.222 -1.198 18183 6540 1 11 . 1 1 52 52 SER CA C 710 57.614 57.614 57.417 0.197 18183 6541 1 11 . 1 1 52 52 SER CB C 710 64.989 64.989 64.845 0.144 18183 6542 1 11 . 1 1 52 52 SER H H 710 9.204 9.204 8.995 0.209 18183 6543 1 11 . 1 1 53 53 ILE N N 711 121.512 121.512 124.665 -3.153 18183 6544 1 11 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.083 0.056 18183 6545 1 11 . 1 1 53 53 ILE C C 711 173.093 173.093 173.822 -0.729 18183 6546 1 11 . 1 1 53 53 ILE CA C 711 57.633 57.633 58.663 -1.030 18183 6547 1 11 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.456 0.367 18183 6548 1 11 . 1 1 53 53 ILE H H 711 8.825 8.825 8.565 0.260 18183 6549 1 11 . 1 1 54 54 LYS N N 712 128.814 128.814 125.179 3.635 18183 6550 1 11 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.106 -0.351 18183 6551 1 11 . 1 1 54 54 LYS C C 712 174.850 174.850 174.853 -0.003 18183 6552 1 11 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.681 -0.436 18183 6553 1 11 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.778 -0.444 18183 6554 1 11 . 1 1 54 54 LYS H H 712 8.863 8.863 8.514 0.349 18183 6555 1 11 . 1 1 55 55 PHE N N 713 130.119 130.119 124.793 5.326 18183 6556 1 11 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.711 0.157 18183 6557 1 11 . 1 1 55 55 PHE C C 713 174.223 174.223 174.291 -0.068 18183 6558 1 11 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.751 0.398 18183 6559 1 11 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.362 -1.760 18183 6560 1 11 . 1 1 55 55 PHE H H 713 9.373 9.373 8.709 0.664 18183 6561 1 11 . 1 1 56 56 ASN N N 714 125.766 125.766 124.309 1.457 18183 6562 1 11 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.239 -0.341 18183 6563 1 11 . 1 1 56 56 ASN C C 714 173.945 173.945 174.635 -0.690 18183 6564 1 11 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.909 1.097 18183 6565 1 11 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.974 -2.012 18183 6566 1 11 . 1 1 56 56 ASN H H 714 8.364 8.364 8.754 -0.390 18183 6567 1 11 . 1 1 57 57 ASP N N 715 117.708 117.708 114.163 3.545 18183 6568 1 11 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.264 0.287 18183 6569 1 11 . 1 1 57 57 ASP C C 715 174.766 174.766 174.902 -0.136 18183 6570 1 11 . 1 1 57 57 ASP CA C 715 55.045 55.045 56.011 -0.966 18183 6571 1 11 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.202 0.376 18183 6572 1 11 . 1 1 57 57 ASP H H 715 8.536 8.536 8.593 -0.057 18183 6573 1 11 . 1 1 58 58 GLU N N 716 118.715 118.715 116.346 2.369 18183 6574 1 11 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.571 0.094 18183 6575 1 11 . 1 1 58 58 GLU C C 716 173.786 173.786 174.396 -0.610 18183 6576 1 11 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.172 -0.230 18183 6577 1 11 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.208 -0.045 18183 6578 1 11 . 1 1 58 58 GLU H H 716 7.873 7.873 7.865 0.008 18183 6579 1 11 . 1 1 59 59 VAL N N 717 120.798 120.798 121.720 -0.922 18183 6580 1 11 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.606 -0.233 18183 6581 1 11 . 1 1 59 59 VAL C C 717 175.325 175.325 176.039 -0.714 18183 6582 1 11 . 1 1 59 59 VAL CA C 717 61.939 61.939 60.897 1.042 18183 6583 1 11 . 1 1 59 59 VAL CB C 717 32.017 32.017 30.680 1.337 18183 6584 1 11 . 1 1 59 59 VAL H H 717 8.473 8.473 8.513 -0.040 18183 6585 1 11 . 1 1 60 60 LYS N N 718 127.136 127.136 127.367 -0.231 18183 6586 1 11 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.488 -0.057 18183 6587 1 11 . 1 1 60 60 LYS C C 718 174.439 174.439 175.697 -1.258 18183 6588 1 11 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.571 -1.762 18183 6589 1 11 . 1 1 60 60 LYS CB C 718 33.105 33.105 33.353 -0.248 18183 6590 1 11 . 1 1 60 60 LYS H H 718 8.903 8.903 8.329 0.574 18183 6591 1 11 . 1 1 61 61 HIS N N 719 119.956 119.956 122.552 -2.596 18183 6592 1 11 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.162 0.061 18183 6593 1 11 . 1 1 61 61 HIS C C 719 175.173 175.173 174.758 0.415 18183 6594 1 11 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.546 0.614 18183 6595 1 11 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.610 2.272 18183 6596 1 11 . 1 1 61 61 HIS H H 719 8.422 8.422 8.529 -0.107 18183 6597 1 11 . 1 1 62 62 ILE N N 720 126.629 126.629 125.965 0.664 18183 6598 1 11 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.213 -0.077 18183 6599 1 11 . 1 1 62 62 ILE C C 720 175.372 175.372 175.652 -0.280 18183 6600 1 11 . 1 1 62 62 ILE CA C 720 59.976 59.976 59.505 0.471 18183 6601 1 11 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.658 2.370 18183 6602 1 11 . 1 1 62 62 ILE H H 720 9.646 9.646 8.655 0.991 18183 6603 1 11 . 1 1 63 63 LYS N N 721 127.276 127.276 124.163 3.113 18183 6604 1 11 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.940 -0.713 18183 6605 1 11 . 1 1 63 63 LYS C C 721 174.877 174.877 175.641 -0.764 18183 6606 1 11 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.741 1.799 18183 6607 1 11 . 1 1 63 63 LYS CB C 721 33.049 33.049 34.227 -1.178 18183 6608 1 11 . 1 1 63 63 LYS H H 721 8.741 8.741 8.462 0.279 18183 6609 1 11 . 1 1 64 64 VAL N N 722 123.343 123.343 122.904 0.439 18183 6610 1 11 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.308 -0.135 18183 6611 1 11 . 1 1 64 64 VAL C C 722 174.522 174.522 173.959 0.563 18183 6612 1 11 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.533 -0.038 18183 6613 1 11 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.255 -2.863 18183 6614 1 11 . 1 1 64 64 VAL H H 722 8.166 8.166 8.377 -0.211 18183 6615 1 11 . 1 1 65 65 VAL N N 723 127.934 127.934 127.426 0.508 18183 6616 1 11 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.406 -0.260 18183 6617 1 11 . 1 1 65 65 VAL C C 723 174.212 174.212 174.512 -0.300 18183 6618 1 11 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.614 1.137 18183 6619 1 11 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.440 -0.161 18183 6620 1 11 . 1 1 65 65 VAL H H 723 8.469 8.469 7.913 0.556 18183 6621 1 11 . 1 1 66 66 GLU N N 724 125.632 125.632 128.428 -2.796 18183 6622 1 11 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.047 0.109 18183 6623 1 11 . 1 1 66 66 GLU C C 724 175.573 175.573 175.326 0.247 18183 6624 1 11 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.182 -0.625 18183 6625 1 11 . 1 1 66 66 GLU CB C 724 32.441 32.441 30.905 1.536 18183 6626 1 11 . 1 1 66 66 GLU H H 724 8.518 8.518 8.761 -0.243 18183 6627 1 11 . 1 1 67 67 LYS N N 725 125.857 125.857 126.113 -0.256 18183 6628 1 11 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.588 -0.136 18183 6629 1 11 . 1 1 67 67 LYS C C 725 175.624 175.624 175.361 0.263 18183 6630 1 11 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.840 0.415 18183 6631 1 11 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.531 -0.490 18183 6632 1 11 . 1 1 67 67 LYS H H 725 8.671 8.671 8.603 0.068 18183 6633 1 11 . 1 1 68 68 ASP N N 726 127.302 127.302 121.816 5.486 18183 6634 1 11 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.426 -0.235 18183 6635 1 11 . 1 1 68 68 ASP C C 726 174.291 174.291 175.322 -1.031 18183 6636 1 11 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.928 0.094 18183 6637 1 11 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.484 -0.093 18183 6638 1 11 . 1 1 68 68 ASP H H 726 9.485 9.485 9.017 0.468 18183 6639 1 11 . 1 1 69 69 ASN N N 727 110.250 110.250 110.964 -0.714 18183 6640 1 11 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.241 -0.018 18183 6641 1 11 . 1 1 69 69 ASN C C 727 173.825 173.825 173.399 0.426 18183 6642 1 11 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.736 -0.064 18183 6643 1 11 . 1 1 69 69 ASN CB C 727 37.344 37.344 37.235 0.109 18183 6644 1 11 . 1 1 69 69 ASN H H 727 8.344 8.344 8.785 -0.441 18183 6645 1 11 . 1 1 70 70 TRP N N 728 119.098 119.098 115.339 3.759 18183 6646 1 11 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.966 0.350 18183 6647 1 11 . 1 1 70 70 TRP C C 728 174.989 174.989 174.351 0.638 18183 6648 1 11 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.617 0.095 18183 6649 1 11 . 1 1 70 70 TRP CB C 728 33.343 33.343 33.013 0.330 18183 6650 1 11 . 1 1 70 70 TRP H H 728 8.050 8.050 7.765 0.285 18183 6651 1 11 . 1 1 71 71 ILE N N 729 121.706 121.706 120.559 1.147 18183 6652 1 11 . 1 1 71 71 ILE HA H 729 5.512 5.512 4.933 0.579 18183 6653 1 11 . 1 1 71 71 ILE C C 729 175.265 175.265 173.864 1.401 18183 6654 1 11 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.277 -0.483 18183 6655 1 11 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.328 -0.237 18183 6656 1 11 . 1 1 71 71 ILE H H 729 9.298 9.298 9.502 -0.204 18183 6657 1 11 . 1 1 72 72 HIS N N 730 121.063 121.063 123.580 -2.517 18183 6658 1 11 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.257 -0.106 18183 6659 1 11 . 1 1 72 72 HIS C C 730 173.774 173.774 174.208 -0.434 18183 6660 1 11 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.664 0.855 18183 6661 1 11 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.904 0.605 18183 6662 1 11 . 1 1 72 72 HIS H H 730 9.024 9.024 8.109 0.915 18183 6663 1 11 . 1 1 73 73 ILE N N 731 112.363 112.363 117.003 -4.640 18183 6664 1 11 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.680 0.216 18183 6665 1 11 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.015 0.287 18183 6666 1 11 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.901 0.486 18183 6667 1 11 . 1 1 73 73 ILE H H 731 9.425 9.425 9.004 0.421 18183 6668 1 11 . 1 1 74 74 THR N N 732 117.292 117.292 112.562 4.730 18183 6669 1 11 . 1 1 74 74 THR HA H 732 4.679 4.679 4.593 0.086 18183 6670 1 11 . 1 1 74 74 THR C C 732 173.467 173.467 174.006 -0.539 18183 6671 1 11 . 1 1 74 74 THR CA C 732 59.795 59.795 60.183 -0.388 18183 6672 1 11 . 1 1 74 74 THR CB C 732 69.896 69.896 71.242 -1.346 18183 6673 1 11 . 1 1 74 74 THR H H 732 8.421 8.421 7.826 0.595 18183 6674 1 11 . 1 1 75 75 GLU N N 733 123.689 123.689 120.383 3.306 18183 6675 1 11 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.388 -1.414 18183 6676 1 11 . 1 1 75 75 GLU C C 733 175.819 175.819 176.190 -0.371 18183 6677 1 11 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.589 2.309 18183 6678 1 11 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.197 -0.206 18183 6679 1 11 . 1 1 75 75 GLU H H 733 8.615 8.615 8.748 -0.133 18183 6680 1 11 . 1 1 76 76 ALA N N 734 117.705 117.705 122.949 -5.244 18183 6681 1 11 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.339 -0.427 18183 6682 1 11 . 1 1 76 76 ALA C C 734 177.024 177.024 177.234 -0.210 18183 6683 1 11 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.463 0.799 18183 6684 1 11 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.991 -0.194 18183 6685 1 11 . 1 1 76 76 ALA H H 734 7.654 7.654 8.100 -0.446 18183 6686 1 11 . 1 1 77 77 LYS N N 735 119.239 119.239 120.051 -0.812 18183 6687 1 11 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.175 -0.084 18183 6688 1 11 . 1 1 77 77 LYS C C 735 172.048 172.048 174.566 -2.518 18183 6689 1 11 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.719 -1.347 18183 6690 1 11 . 1 1 77 77 LYS CB C 735 33.343 33.343 33.738 -0.395 18183 6691 1 11 . 1 1 77 77 LYS H H 735 7.214 7.214 7.877 -0.663 18183 6692 1 11 . 1 1 78 78 LYS N N 736 123.194 123.194 123.945 -0.751 18183 6693 1 11 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.318 0.419 18183 6694 1 11 . 1 1 78 78 LYS C C 736 174.901 174.901 175.665 -0.764 18183 6695 1 11 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.541 -0.839 18183 6696 1 11 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.116 1.977 18183 6697 1 11 . 1 1 78 78 LYS H H 736 7.850 7.850 7.886 -0.036 18183 6698 1 11 . 1 1 79 79 PHE N N 737 117.645 117.645 120.302 -2.657 18183 6699 1 11 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.886 0.040 18183 6700 1 11 . 1 1 79 79 PHE C C 737 175.500 175.500 176.008 -0.508 18183 6701 1 11 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.519 -0.606 18183 6702 1 11 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.278 1.190 18183 6703 1 11 . 1 1 79 79 PHE H H 737 9.079 9.079 9.136 -0.057 18183 6704 1 11 . 1 1 80 80 ASP N N 738 119.264 119.264 122.417 -3.153 18183 6705 1 11 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.643 1.074 18183 6706 1 11 . 1 1 80 80 ASP C C 738 176.014 176.014 176.775 -0.761 18183 6707 1 11 . 1 1 80 80 ASP CA C 738 55.645 55.645 57.300 -1.655 18183 6708 1 11 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.149 0.571 18183 6709 1 11 . 1 1 80 80 ASP H H 738 9.332 9.332 9.129 0.203 18183 6710 1 11 . 1 1 81 81 SER N N 739 108.541 108.541 110.375 -1.834 18183 6711 1 11 . 1 1 81 81 SER HA H 739 4.649 4.649 4.745 -0.096 18183 6712 1 11 . 1 1 81 81 SER C C 739 173.719 173.719 174.609 -0.890 18183 6713 1 11 . 1 1 81 81 SER CA C 739 57.148 57.148 56.665 0.483 18183 6714 1 11 . 1 1 81 81 SER CB C 739 66.475 66.475 66.166 0.309 18183 6715 1 11 . 1 1 81 81 SER H H 739 7.379 7.379 7.778 -0.399 18183 6716 1 11 . 1 1 82 82 LEU N N 740 122.926 122.926 123.325 -0.399 18183 6717 1 11 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.820 -0.064 18183 6718 1 11 . 1 1 82 82 LEU C C 740 177.267 177.267 177.951 -0.684 18183 6719 1 11 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.988 -0.154 18183 6720 1 11 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.313 -0.730 18183 6721 1 11 . 1 1 82 82 LEU H H 740 8.939 8.939 8.381 0.558 18183 6722 1 11 . 1 1 83 83 LEU N N 741 116.722 116.722 116.328 0.394 18183 6723 1 11 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.986 -0.211 18183 6724 1 11 . 1 1 83 83 LEU C C 741 177.528 177.528 178.302 -0.774 18183 6725 1 11 . 1 1 83 83 LEU CA C 741 58.139 58.139 57.938 0.201 18183 6726 1 11 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.349 0.328 18183 6727 1 11 . 1 1 83 83 LEU H H 741 7.814 7.814 7.819 -0.005 18183 6728 1 11 . 1 1 84 84 GLU N N 742 116.747 116.747 119.606 -2.859 18183 6729 1 11 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.082 -0.215 18183 6730 1 11 . 1 1 84 84 GLU C C 742 178.282 178.282 178.946 -0.664 18183 6731 1 11 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.693 -0.554 18183 6732 1 11 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.686 0.747 18183 6733 1 11 . 1 1 84 84 GLU H H 742 7.541 7.541 7.616 -0.075 18183 6734 1 11 . 1 1 85 85 LEU N N 743 122.157 122.157 121.337 0.820 18183 6735 1 11 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.344 -0.381 18183 6736 1 11 . 1 1 85 85 LEU C C 743 177.315 177.315 178.370 -1.055 18183 6737 1 11 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.717 1.022 18183 6738 1 11 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.546 0.169 18183 6739 1 11 . 1 1 85 85 LEU H H 743 7.076 7.076 7.553 -0.477 18183 6740 1 11 . 1 1 86 86 VAL N N 744 119.754 119.754 117.832 1.922 18183 6741 1 11 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.140 -0.350 18183 6742 1 11 . 1 1 86 86 VAL C C 744 177.621 177.621 177.905 -0.284 18183 6743 1 11 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.541 0.303 18183 6744 1 11 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.511 0.454 18183 6745 1 11 . 1 1 86 86 VAL H H 744 8.116 8.116 7.674 0.442 18183 6746 1 11 . 1 1 87 87 GLU N N 745 116.169 116.169 118.916 -2.747 18183 6747 1 11 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.814 -0.099 18183 6748 1 11 . 1 1 87 87 GLU C C 745 179.560 179.560 179.062 0.498 18183 6749 1 11 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.636 -0.315 18183 6750 1 11 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.564 -0.478 18183 6751 1 11 . 1 1 87 87 GLU H H 745 8.168 8.168 7.661 0.507 18183 6752 1 11 . 1 1 88 88 TYR N N 746 120.022 120.022 120.760 -0.738 18183 6753 1 11 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.047 0.046 18183 6754 1 11 . 1 1 88 88 TYR C C 746 180.010 180.010 177.939 2.071 18183 6755 1 11 . 1 1 88 88 TYR CA C 746 62.594 62.594 62.307 0.287 18183 6756 1 11 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.730 0.098 18183 6757 1 11 . 1 1 88 88 TYR H H 746 7.774 7.774 8.243 -0.469 18183 6758 1 11 . 1 1 89 89 TYR N N 747 118.480 118.480 118.096 0.384 18183 6759 1 11 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.491 0.564 18183 6760 1 11 . 1 1 89 89 TYR C C 747 175.796 175.796 178.736 -2.940 18183 6761 1 11 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.362 -0.225 18183 6762 1 11 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.855 -0.925 18183 6763 1 11 . 1 1 89 89 TYR H H 747 7.782 7.782 8.364 -0.582 18183 6764 1 11 . 1 1 90 90 GLN N N 748 118.696 118.696 117.416 1.280 18183 6765 1 11 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.991 0.398 18183 6766 1 11 . 1 1 90 90 GLN C C 748 177.777 177.777 176.840 0.937 18183 6767 1 11 . 1 1 90 90 GLN CA C 748 57.717 57.717 58.841 -1.124 18183 6768 1 11 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.647 -0.127 18183 6769 1 11 . 1 1 90 90 GLN H H 748 7.838 7.838 7.958 -0.120 18183 6770 1 11 . 1 1 91 91 CYS N N 749 111.118 111.118 113.385 -2.267 18183 6771 1 11 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.412 0.190 18183 6772 1 11 . 1 1 91 91 CYS C C 749 172.887 172.887 174.786 -1.899 18183 6773 1 11 . 1 1 91 91 CYS CA C 749 57.434 57.434 59.267 -1.833 18183 6774 1 11 . 1 1 91 91 CYS CB C 749 29.266 29.266 30.229 -0.963 18183 6775 1 11 . 1 1 91 91 CYS H H 749 7.145 7.145 7.341 -0.196 18183 6776 1 11 . 1 1 92 92 HIS N N 750 120.227 120.227 120.479 -0.252 18183 6777 1 11 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.568 -0.236 18183 6778 1 11 . 1 1 92 92 HIS C C 750 171.842 171.842 174.668 -2.826 18183 6779 1 11 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.167 -0.090 18183 6780 1 11 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.589 -2.213 18183 6781 1 11 . 1 1 92 92 HIS H H 750 7.470 7.470 8.406 -0.936 18183 6782 1 11 . 1 1 93 93 SER N N 751 113.120 113.120 117.129 -4.009 18183 6783 1 11 . 1 1 93 93 SER HA H 751 3.782 3.782 4.361 -0.579 18183 6784 1 11 . 1 1 93 93 SER C C 751 176.653 176.653 174.801 1.852 18183 6785 1 11 . 1 1 93 93 SER CA C 751 57.812 57.812 59.441 -1.629 18183 6786 1 11 . 1 1 93 93 SER CB C 751 62.783 62.783 64.092 -1.309 18183 6787 1 11 . 1 1 93 93 SER H H 751 8.404 8.404 8.595 -0.191 18183 6788 1 11 . 1 1 94 94 LEU N N 752 127.293 127.293 124.440 2.853 18183 6789 1 11 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.853 -0.784 18183 6790 1 11 . 1 1 94 94 LEU C C 752 177.524 177.524 177.149 0.375 18183 6791 1 11 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.188 2.208 18183 6792 1 11 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.946 0.541 18183 6793 1 11 . 1 1 94 94 LEU H H 752 8.553 8.553 8.995 -0.442 18183 6794 1 11 . 1 1 95 95 LYS N N 753 122.249 122.249 117.955 4.294 18183 6795 1 11 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.359 -0.031 18183 6796 1 11 . 1 1 95 95 LYS C C 753 176.426 176.426 177.277 -0.851 18183 6797 1 11 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.318 -0.764 18183 6798 1 11 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.575 0.599 18183 6799 1 11 . 1 1 95 95 LYS H H 753 8.303 8.303 7.744 0.559 18183 6800 1 11 . 1 1 96 96 GLU N N 754 115.401 115.401 118.298 -2.897 18183 6801 1 11 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.139 -0.054 18183 6802 1 11 . 1 1 96 96 GLU C C 754 176.838 176.838 177.457 -0.619 18183 6803 1 11 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.393 -0.296 18183 6804 1 11 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.623 -0.123 18183 6805 1 11 . 1 1 96 96 GLU H H 754 7.188 7.188 8.444 -1.256 18183 6806 1 11 . 1 1 97 97 SER N N 755 113.852 113.852 113.833 0.019 18183 6807 1 11 . 1 1 97 97 SER HA H 755 4.402 4.402 4.443 -0.041 18183 6808 1 11 . 1 1 97 97 SER C C 755 172.067 172.067 174.367 -2.300 18183 6809 1 11 . 1 1 97 97 SER CA C 755 59.448 59.448 60.682 -1.234 18183 6810 1 11 . 1 1 97 97 SER CB C 755 65.680 65.680 64.957 0.723 18183 6811 1 11 . 1 1 97 97 SER H H 755 7.838 7.838 7.743 0.095 18183 6812 1 11 . 1 1 98 98 PHE N N 756 121.742 121.742 120.551 1.191 18183 6813 1 11 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.685 -0.115 18183 6814 1 11 . 1 1 98 98 PHE C C 756 174.941 174.941 175.883 -0.942 18183 6815 1 11 . 1 1 98 98 PHE CA C 756 56.748 56.748 57.436 -0.688 18183 6816 1 11 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.829 -0.548 18183 6817 1 11 . 1 1 98 98 PHE H H 756 8.223 8.223 8.572 -0.349 18183 6818 1 11 . 1 1 99 99 LYS N N 757 122.713 122.713 125.884 -3.171 18183 6819 1 11 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.060 0.011 18183 6820 1 11 . 1 1 99 99 LYS C C 757 176.793 176.793 177.453 -0.660 18183 6821 1 11 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.601 -0.444 18183 6822 1 11 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.224 0.109 18183 6823 1 11 . 1 1 99 99 LYS H H 757 8.388 8.388 8.635 -0.247 18183 6824 1 11 . 1 1 100 100 GLN N N 758 114.972 114.972 116.524 -1.552 18183 6825 1 11 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.283 -0.122 18183 6826 1 11 . 1 1 100 100 GLN C C 758 175.591 175.591 175.964 -0.373 18183 6827 1 11 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.969 -0.500 18183 6828 1 11 . 1 1 100 100 GLN CB C 758 27.987 27.987 29.125 -1.138 18183 6829 1 11 . 1 1 100 100 GLN H H 758 8.662 8.662 8.206 0.456 18183 6830 1 11 . 1 1 101 101 LEU N N 759 124.472 124.472 119.741 4.731 18183 6831 1 11 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.615 -0.936 18183 6832 1 11 . 1 1 101 101 LEU C C 759 173.228 173.228 174.630 -1.402 18183 6833 1 11 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.039 -1.714 18183 6834 1 11 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.950 -1.438 18183 6835 1 11 . 1 1 101 101 LEU H H 759 7.884 7.884 7.577 0.307 18183 6836 1 11 . 1 1 102 102 ASP N N 760 119.321 119.321 127.942 -8.621 18183 6837 1 11 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.814 -0.329 18183 6838 1 11 . 1 1 102 102 ASP C C 760 173.467 173.467 174.956 -1.489 18183 6839 1 11 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.219 -1.095 18183 6840 1 11 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.668 -1.640 18183 6841 1 11 . 1 1 102 102 ASP H H 760 6.594 6.594 8.595 -2.001 18183 6842 1 11 . 1 1 103 103 THR N N 761 117.213 117.213 117.821 -0.608 18183 6843 1 11 . 1 1 103 103 THR HA H 761 4.643 4.643 4.293 0.350 18183 6844 1 11 . 1 1 103 103 THR C C 761 172.158 172.158 172.687 -0.529 18183 6845 1 11 . 1 1 103 103 THR CA C 761 60.197 60.197 61.032 -0.835 18183 6846 1 11 . 1 1 103 103 THR CB C 761 69.046 69.046 69.260 -0.214 18183 6847 1 11 . 1 1 103 103 THR H H 761 7.637 7.637 7.641 -0.004 18183 6848 1 11 . 1 1 104 104 THR N N 762 114.193 114.193 116.479 -2.286 18183 6849 1 11 . 1 1 104 104 THR HA H 762 4.569 4.569 4.345 0.224 18183 6850 1 11 . 1 1 104 104 THR C C 762 175.698 175.698 173.794 1.904 18183 6851 1 11 . 1 1 104 104 THR CA C 762 60.808 60.808 60.129 0.679 18183 6852 1 11 . 1 1 104 104 THR CB C 762 70.636 70.636 70.368 0.268 18183 6853 1 11 . 1 1 104 104 THR H H 762 7.284 7.284 8.019 -0.735 18183 6854 1 11 . 1 1 105 105 LEU N N 763 117.473 117.473 122.056 -4.583 18183 6855 1 11 . 1 1 105 105 LEU HA H 763 3.463 3.463 4.371 -0.908 18183 6856 1 11 . 1 1 105 105 LEU C C 763 174.348 174.348 177.053 -2.705 18183 6857 1 11 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.669 -1.687 18183 6858 1 11 . 1 1 105 105 LEU CB C 763 35.683 35.683 40.859 -5.176 18183 6859 1 11 . 1 1 105 105 LEU H H 763 8.093 8.093 8.376 -0.283 18183 6860 1 11 . 1 1 106 106 LYS N N 764 127.491 127.491 124.760 2.731 18183 6861 1 11 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.016 -0.058 18183 6862 1 11 . 1 1 106 106 LYS C C 764 176.734 176.734 176.340 0.394 18183 6863 1 11 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.877 1.819 18183 6864 1 11 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.441 1.726 18183 6865 1 11 . 1 1 106 106 LYS H H 764 7.118 7.118 8.173 -1.055 18183 6866 1 11 . 1 1 107 107 TYR N N 765 115.804 115.804 113.713 2.091 18183 6867 1 11 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.691 0.773 18183 6868 1 11 . 1 1 107 107 TYR C C 765 172.048 172.048 172.026 0.022 18183 6869 1 11 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.720 -2.201 18183 6870 1 11 . 1 1 107 107 TYR CB C 765 40.376 40.376 39.033 1.343 18183 6871 1 11 . 1 1 107 107 TYR H H 765 7.848 7.848 7.168 0.680 18183 6872 1 11 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.451 -0.825 18183 6873 1 11 . 1 1 108 108 PRO C C 766 180.469 180.469 176.508 3.961 18183 6874 1 11 . 1 1 109 109 TYR N N 767 122.791 122.791 114.477 8.314 18183 6875 1 11 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.655 -0.871 18183 6876 1 11 . 1 1 109 109 TYR C C 767 174.575 174.575 175.915 -1.340 18183 6877 1 11 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.390 3.596 18183 6878 1 11 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.461 0.165 18183 6879 1 11 . 1 1 109 109 TYR H H 767 8.306 8.306 8.347 -0.041 18183 6880 1 11 . 1 1 110 110 LYS N N 768 118.817 118.817 120.455 -1.638 18183 6881 1 11 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.212 -0.309 18183 6882 1 11 . 1 1 110 110 LYS C C 768 176.259 176.259 176.745 -0.486 18183 6883 1 11 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.055 -1.460 18183 6884 1 11 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.884 -0.279 18183 6885 1 11 . 1 1 110 110 LYS H H 768 6.785 6.785 8.100 -1.315 18183 6886 1 11 . 1 1 111 111 SER N N 769 114.539 114.539 111.832 2.707 18183 6887 1 11 . 1 1 111 111 SER HA H 769 4.317 4.317 4.595 -0.278 18183 6888 1 11 . 1 1 111 111 SER C C 769 174.092 174.092 173.268 0.824 18183 6889 1 11 . 1 1 111 111 SER CA C 769 58.647 58.647 58.380 0.267 18183 6890 1 11 . 1 1 111 111 SER CB C 769 63.883 63.883 64.253 -0.370 18183 6891 1 11 . 1 1 111 111 SER H H 769 7.765 7.765 7.813 -0.048 18183 6892 1 11 . 1 1 112 112 ARG N N 770 122.458 122.458 122.211 0.247 18183 6893 1 11 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.118 0.204 18183 6894 1 11 . 1 1 112 112 ARG C C 770 175.130 175.130 174.997 0.133 18183 6895 1 11 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.362 -0.698 18183 6896 1 11 . 1 1 112 112 ARG CB C 770 30.880 30.880 29.127 1.753 18183 6897 1 11 . 1 1 112 112 ARG H H 770 8.082 8.082 8.270 -0.188 18183 6898 1 12 . 1 1 2 2 ARG N N 660 123.546 123.546 123.003 0.543 18183 6899 1 12 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.608 -0.032 18183 6900 1 12 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.891 -1.041 18183 6901 1 12 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.760 -0.413 18183 6902 1 12 . 1 1 2 2 ARG H H 660 8.258 8.258 8.531 -0.273 18183 6903 1 12 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.417 -0.061 18183 6904 1 12 . 1 1 4 4 PRO C C 662 177.047 177.047 176.205 0.842 18183 6905 1 12 . 1 1 4 4 PRO CA C 662 63.221 63.221 63.301 -0.080 18183 6906 1 12 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.207 -0.232 18183 6907 1 12 . 1 1 5 5 SER N N 663 116.108 116.108 119.972 -3.864 18183 6908 1 12 . 1 1 5 5 SER HA H 663 4.335 4.335 4.507 -0.172 18183 6909 1 12 . 1 1 5 5 SER C C 663 174.708 174.708 173.622 1.086 18183 6910 1 12 . 1 1 5 5 SER CA C 663 58.639 58.639 58.232 0.407 18183 6911 1 12 . 1 1 5 5 SER CB C 663 63.849 63.849 63.546 0.303 18183 6912 1 12 . 1 1 5 5 SER H H 663 8.385 8.385 8.554 -0.169 18183 6913 1 12 . 1 1 6 6 ARG N N 664 122.132 122.132 122.465 -0.333 18183 6914 1 12 . 1 1 6 6 ARG HA H 664 4.319 4.319 3.983 0.336 18183 6915 1 12 . 1 1 6 6 ARG C C 664 175.951 175.951 175.764 0.187 18183 6916 1 12 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.950 -1.019 18183 6917 1 12 . 1 1 6 6 ARG CB C 664 30.832 30.832 28.398 2.434 18183 6918 1 12 . 1 1 6 6 ARG H H 664 8.347 8.347 8.712 -0.365 18183 6919 1 12 . 1 1 7 7 GLU N N 665 122.268 122.268 118.377 3.891 18183 6920 1 12 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.395 -0.133 18183 6921 1 12 . 1 1 7 7 GLU C C 665 175.809 175.809 176.120 -0.311 18183 6922 1 12 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.293 -0.123 18183 6923 1 12 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.108 -0.199 18183 6924 1 12 . 1 1 7 7 GLU H H 665 8.336 8.336 8.174 0.162 18183 6925 1 12 . 1 1 8 8 ILE N N 666 123.984 123.984 118.663 5.321 18183 6926 1 12 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.267 -0.487 18183 6927 1 12 . 1 1 8 8 ILE C C 666 174.325 174.325 174.151 0.174 18183 6928 1 12 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.251 0.558 18183 6929 1 12 . 1 1 8 8 ILE CB C 666 39.233 39.233 40.562 -1.329 18183 6930 1 12 . 1 1 8 8 ILE H H 666 7.920 7.920 7.229 0.691 18183 6931 1 12 . 1 1 9 9 ASP N N 667 124.228 124.228 126.037 -1.809 18183 6932 1 12 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.799 -0.231 18183 6933 1 12 . 1 1 9 9 ASP C C 667 177.001 177.001 175.577 1.424 18183 6934 1 12 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.131 -1.140 18183 6935 1 12 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.818 0.492 18183 6936 1 12 . 1 1 9 9 ASP H H 667 8.072 8.072 8.585 -0.513 18183 6937 1 12 . 1 1 10 10 TYR N N 668 125.329 125.329 120.964 4.365 18183 6938 1 12 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.219 -0.091 18183 6939 1 12 . 1 1 10 10 TYR C C 668 175.901 175.901 175.922 -0.021 18183 6940 1 12 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.217 1.340 18183 6941 1 12 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.569 -1.403 18183 6942 1 12 . 1 1 10 10 TYR H H 668 8.493 8.493 8.401 0.092 18183 6943 1 12 . 1 1 11 11 THR N N 669 108.533 108.533 107.826 0.707 18183 6944 1 12 . 1 1 11 11 THR HA H 669 4.082 4.082 3.787 0.295 18183 6945 1 12 . 1 1 11 11 THR C C 669 175.170 175.170 175.010 0.160 18183 6946 1 12 . 1 1 11 11 THR CA C 669 64.701 64.701 63.431 1.270 18183 6947 1 12 . 1 1 11 11 THR CB C 669 68.924 68.924 68.757 0.167 18183 6948 1 12 . 1 1 11 11 THR H H 669 7.948 7.948 7.825 0.123 18183 6949 1 12 . 1 1 12 12 ALA N N 670 121.252 121.252 123.905 -2.653 18183 6950 1 12 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.015 0.008 18183 6951 1 12 . 1 1 12 12 ALA C C 670 177.747 177.747 177.786 -0.039 18183 6952 1 12 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.334 -0.835 18183 6953 1 12 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.539 0.688 18183 6954 1 12 . 1 1 12 12 ALA H H 670 7.366 7.366 7.072 0.294 18183 6955 1 12 . 1 1 13 13 TYR N N 671 117.895 117.895 117.553 0.342 18183 6956 1 12 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.151 0.101 18183 6957 1 12 . 1 1 13 13 TYR C C 671 176.545 176.545 175.030 1.515 18183 6958 1 12 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.275 0.197 18183 6959 1 12 . 1 1 13 13 TYR CB C 671 36.559 36.559 36.816 -0.257 18183 6960 1 12 . 1 1 13 13 TYR H H 671 7.490 7.490 6.945 0.545 18183 6961 1 12 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.505 -0.205 18183 6962 1 12 . 1 1 14 14 PRO C C 672 173.638 173.638 175.492 -1.854 18183 6963 1 12 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.428 0.323 18183 6964 1 12 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.654 -0.410 18183 6965 1 12 . 1 1 15 15 TRP N N 673 109.940 109.940 114.219 -4.279 18183 6966 1 12 . 1 1 15 15 TRP HA H 673 4.706 4.706 5.156 -0.450 18183 6967 1 12 . 1 1 15 15 TRP C C 673 175.471 175.471 173.975 1.496 18183 6968 1 12 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.728 -1.878 18183 6969 1 12 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.957 3.478 18183 6970 1 12 . 1 1 15 15 TRP H H 673 6.184 6.184 7.324 -1.140 18183 6971 1 12 . 1 1 16 16 PHE N N 674 123.228 123.228 121.432 1.796 18183 6972 1 12 . 1 1 16 16 PHE HA H 674 5.101 5.101 5.144 -0.043 18183 6973 1 12 . 1 1 16 16 PHE C C 674 174.684 174.684 174.375 0.309 18183 6974 1 12 . 1 1 16 16 PHE CA C 674 59.566 59.566 57.117 2.449 18183 6975 1 12 . 1 1 16 16 PHE CB C 674 39.968 39.968 41.941 -1.972 18183 6976 1 12 . 1 1 16 16 PHE H H 674 7.585 7.585 7.416 0.169 18183 6977 1 12 . 1 1 17 17 ALA N N 675 130.573 130.573 127.552 3.021 18183 6978 1 12 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.556 0.286 18183 6979 1 12 . 1 1 17 17 ALA C C 675 177.161 177.161 176.844 0.317 18183 6980 1 12 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.882 -0.714 18183 6981 1 12 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.583 0.385 18183 6982 1 12 . 1 1 17 17 ALA H H 675 9.004 9.004 8.010 0.994 18183 6983 1 12 . 1 1 18 18 GLY C C 676 174.000 174.000 174.235 -0.235 18183 6984 1 12 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.731 1.759 18183 6985 1 12 . 1 1 19 19 ASN N N 677 124.182 124.182 120.599 3.583 18183 6986 1 12 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.851 0.155 18183 6987 1 12 . 1 1 19 19 ASN C C 677 174.916 174.916 175.112 -0.196 18183 6988 1 12 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.012 -0.407 18183 6989 1 12 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.149 -0.084 18183 6990 1 12 . 1 1 19 19 ASN H H 677 8.657 8.657 8.483 0.174 18183 6991 1 12 . 1 1 20 20 MET N N 678 122.806 122.806 121.572 1.234 18183 6992 1 12 . 1 1 20 20 MET HA H 678 4.173 4.173 4.590 -0.417 18183 6993 1 12 . 1 1 20 20 MET C C 678 175.317 175.317 175.279 0.038 18183 6994 1 12 . 1 1 20 20 MET CA C 678 56.274 56.274 53.923 2.351 18183 6995 1 12 . 1 1 20 20 MET CB C 678 35.581 35.581 34.433 1.148 18183 6996 1 12 . 1 1 20 20 MET H H 678 7.158 7.158 7.970 -0.812 18183 6997 1 12 . 1 1 21 21 GLU N N 679 124.655 124.655 119.191 5.464 18183 6998 1 12 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.541 -0.340 18183 6999 1 12 . 1 1 21 21 GLU C C 679 178.105 178.105 177.137 0.968 18183 7000 1 12 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.459 0.557 18183 7001 1 12 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.869 0.021 18183 7002 1 12 . 1 1 21 21 GLU H H 679 8.687 8.687 8.494 0.193 18183 7003 1 12 . 1 1 22 22 ARG N N 680 125.764 125.764 122.878 2.886 18183 7004 1 12 . 1 1 22 22 ARG HA H 680 3.280 3.280 4.001 -0.721 18183 7005 1 12 . 1 1 22 22 ARG C C 680 177.559 177.559 178.688 -1.129 18183 7006 1 12 . 1 1 22 22 ARG CA C 680 61.054 61.054 59.778 1.276 18183 7007 1 12 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.322 -0.454 18183 7008 1 12 . 1 1 22 22 ARG H H 680 9.191 9.191 8.783 0.408 18183 7009 1 12 . 1 1 23 23 GLN N N 681 118.109 118.109 119.568 -1.459 18183 7010 1 12 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.088 -0.095 18183 7011 1 12 . 1 1 23 23 GLN C C 681 178.252 178.252 178.205 0.047 18183 7012 1 12 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.206 0.392 18183 7013 1 12 . 1 1 23 23 GLN CB C 681 27.765 27.765 28.234 -0.469 18183 7014 1 12 . 1 1 23 23 GLN H H 681 9.085 9.085 8.568 0.517 18183 7015 1 12 . 1 1 24 24 GLN N N 682 118.128 118.128 117.750 0.378 18183 7016 1 12 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.071 -0.020 18183 7017 1 12 . 1 1 24 24 GLN C C 682 178.328 178.328 178.534 -0.206 18183 7018 1 12 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.550 -0.785 18183 7019 1 12 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.516 -0.284 18183 7020 1 12 . 1 1 24 24 GLN H H 682 7.287 7.287 8.566 -1.279 18183 7021 1 12 . 1 1 25 25 THR N N 683 116.436 116.436 117.156 -0.720 18183 7022 1 12 . 1 1 25 25 THR HA H 683 3.641 3.641 3.969 -0.328 18183 7023 1 12 . 1 1 25 25 THR CA C 683 67.504 67.504 68.085 -0.581 18183 7024 1 12 . 1 1 25 25 THR CB C 683 67.667 67.667 68.542 -0.875 18183 7025 1 12 . 1 1 25 25 THR H H 683 7.813 7.813 7.786 0.027 18183 7026 1 12 . 1 1 26 26 ASP N N 684 123.084 123.084 121.416 1.668 18183 7027 1 12 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.425 -0.197 18183 7028 1 12 . 1 1 26 26 ASP C C 684 178.426 178.426 178.414 0.012 18183 7029 1 12 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.644 0.376 18183 7030 1 12 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.023 -1.197 18183 7031 1 12 . 1 1 26 26 ASP H H 684 8.384 8.384 7.972 0.412 18183 7032 1 12 . 1 1 27 27 ASN N N 685 116.068 116.068 118.731 -2.663 18183 7033 1 12 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.534 -0.215 18183 7034 1 12 . 1 1 27 27 ASN C C 685 177.207 177.207 177.984 -0.777 18183 7035 1 12 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.854 -0.107 18183 7036 1 12 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.554 -0.357 18183 7037 1 12 . 1 1 27 27 ASN H H 685 7.667 7.667 7.784 -0.117 18183 7038 1 12 . 1 1 28 28 LEU N N 686 120.906 120.906 122.161 -1.255 18183 7039 1 12 . 1 1 28 28 LEU HA H 686 4.169 4.169 3.924 0.245 18183 7040 1 12 . 1 1 28 28 LEU C C 686 179.394 179.394 178.713 0.681 18183 7041 1 12 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.938 -0.117 18183 7042 1 12 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.390 1.302 18183 7043 1 12 . 1 1 28 28 LEU H H 686 7.993 7.993 8.610 -0.617 18183 7044 1 12 . 1 1 29 29 LEU N N 687 114.941 114.941 116.589 -1.648 18183 7045 1 12 . 1 1 29 29 LEU HA H 687 4.051 4.051 3.968 0.083 18183 7046 1 12 . 1 1 29 29 LEU C C 687 178.742 178.742 178.582 0.160 18183 7047 1 12 . 1 1 29 29 LEU CA C 687 56.437 56.437 57.010 -0.573 18183 7048 1 12 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.797 1.046 18183 7049 1 12 . 1 1 29 29 LEU H H 687 8.166 8.166 7.754 0.412 18183 7050 1 12 . 1 1 30 30 LYS N N 688 118.446 118.446 117.930 0.516 18183 7051 1 12 . 1 1 30 30 LYS HA H 688 3.713 3.713 3.997 -0.284 18183 7052 1 12 . 1 1 30 30 LYS C C 688 177.260 177.260 178.187 -0.927 18183 7053 1 12 . 1 1 30 30 LYS CA C 688 60.478 60.478 59.068 1.410 18183 7054 1 12 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.680 -0.596 18183 7055 1 12 . 1 1 30 30 LYS H H 688 7.635 7.635 7.779 -0.144 18183 7056 1 12 . 1 1 31 31 SER N N 689 111.039 111.039 112.897 -1.858 18183 7057 1 12 . 1 1 31 31 SER HA H 689 4.417 4.417 4.264 0.153 18183 7058 1 12 . 1 1 31 31 SER C C 689 174.495 174.495 175.644 -1.149 18183 7059 1 12 . 1 1 31 31 SER CA C 689 58.387 58.387 60.072 -1.685 18183 7060 1 12 . 1 1 31 31 SER CB C 689 63.281 63.281 63.717 -0.436 18183 7061 1 12 . 1 1 31 31 SER H H 689 7.709 7.709 7.725 -0.016 18183 7062 1 12 . 1 1 32 32 HIS N N 690 120.253 120.253 122.235 -1.982 18183 7063 1 12 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.439 0.137 18183 7064 1 12 . 1 1 32 32 HIS C C 690 173.913 173.913 175.176 -1.263 18183 7065 1 12 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.044 -0.967 18183 7066 1 12 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.232 1.621 18183 7067 1 12 . 1 1 32 32 HIS H H 690 7.647 7.647 7.365 0.282 18183 7068 1 12 . 1 1 33 33 ALA N N 691 120.403 120.403 123.325 -2.922 18183 7069 1 12 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.295 -0.017 18183 7070 1 12 . 1 1 33 33 ALA C C 691 179.503 179.503 177.348 2.155 18183 7071 1 12 . 1 1 33 33 ALA CA C 691 51.718 51.718 52.131 -0.413 18183 7072 1 12 . 1 1 33 33 ALA CB C 691 20.269 20.269 19.691 0.578 18183 7073 1 12 . 1 1 33 33 ALA H H 691 8.452 8.452 8.344 0.108 18183 7074 1 12 . 1 1 34 34 SER N N 692 117.464 117.464 114.866 2.598 18183 7075 1 12 . 1 1 34 34 SER HA H 692 4.047 4.047 4.369 -0.322 18183 7076 1 12 . 1 1 34 34 SER C C 692 175.307 175.307 174.379 0.928 18183 7077 1 12 . 1 1 34 34 SER CA C 692 60.434 60.434 58.812 1.622 18183 7078 1 12 . 1 1 34 34 SER CB C 692 63.132 63.132 61.861 1.270 18183 7079 1 12 . 1 1 34 34 SER H H 692 9.002 9.002 8.571 0.431 18183 7080 1 12 . 1 1 35 35 GLY N N 693 113.364 113.364 111.097 2.267 18183 7081 1 12 . 1 1 35 35 GLY C C 693 174.739 174.739 172.720 2.019 18183 7082 1 12 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.635 -0.785 18183 7083 1 12 . 1 1 35 35 GLY H H 693 9.873 9.873 8.494 1.379 18183 7084 1 12 . 1 1 36 36 THR N N 694 120.932 120.932 118.198 2.734 18183 7085 1 12 . 1 1 36 36 THR HA H 694 5.923 5.923 5.945 -0.022 18183 7086 1 12 . 1 1 36 36 THR C C 694 173.253 173.253 173.514 -0.261 18183 7087 1 12 . 1 1 36 36 THR CA C 694 63.429 63.429 60.782 2.647 18183 7088 1 12 . 1 1 36 36 THR CB C 694 68.091 68.091 71.852 -3.761 18183 7089 1 12 . 1 1 36 36 THR H H 694 8.240 8.240 7.556 0.684 18183 7090 1 12 . 1 1 37 37 TYR N N 695 123.567 123.567 123.150 0.417 18183 7091 1 12 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.523 0.453 18183 7092 1 12 . 1 1 37 37 TYR C C 695 171.737 171.737 173.234 -1.497 18183 7093 1 12 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.998 0.237 18183 7094 1 12 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.271 3.018 18183 7095 1 12 . 1 1 37 37 TYR H H 695 8.765 8.765 7.927 0.838 18183 7096 1 12 . 1 1 38 38 LEU N N 696 115.294 115.294 115.419 -0.125 18183 7097 1 12 . 1 1 38 38 LEU HA H 696 5.103 5.103 4.969 0.134 18183 7098 1 12 . 1 1 38 38 LEU C C 696 174.368 174.368 174.665 -0.297 18183 7099 1 12 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.429 -0.597 18183 7100 1 12 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.754 0.540 18183 7101 1 12 . 1 1 38 38 LEU H H 696 9.008 9.008 8.829 0.179 18183 7102 1 12 . 1 1 39 39 ILE N N 697 122.087 122.087 119.744 2.343 18183 7103 1 12 . 1 1 39 39 ILE HA H 697 5.293 5.293 5.046 0.247 18183 7104 1 12 . 1 1 39 39 ILE C C 697 173.625 173.625 175.397 -1.772 18183 7105 1 12 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.461 -0.655 18183 7106 1 12 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.523 -1.757 18183 7107 1 12 . 1 1 39 39 ILE H H 697 9.276 9.276 8.397 0.879 18183 7108 1 12 . 1 1 40 40 ARG N N 698 123.307 123.307 125.800 -2.493 18183 7109 1 12 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.505 0.638 18183 7110 1 12 . 1 1 40 40 ARG C C 698 173.789 173.789 174.896 -1.107 18183 7111 1 12 . 1 1 40 40 ARG CA C 698 52.171 52.171 54.509 -2.338 18183 7112 1 12 . 1 1 40 40 ARG CB C 698 33.426 33.426 32.590 0.836 18183 7113 1 12 . 1 1 40 40 ARG H H 698 9.032 9.032 8.916 0.116 18183 7114 1 12 . 1 1 41 41 GLU N N 699 122.502 122.502 120.067 2.435 18183 7115 1 12 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.522 0.469 18183 7116 1 12 . 1 1 41 41 GLU C C 699 175.788 175.788 174.844 0.944 18183 7117 1 12 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.678 -0.839 18183 7118 1 12 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.310 0.613 18183 7119 1 12 . 1 1 41 41 GLU H H 699 8.453 8.453 8.024 0.429 18183 7120 1 12 . 1 1 42 42 ARG N N 700 125.039 125.039 125.882 -0.843 18183 7121 1 12 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.689 -0.035 18183 7122 1 12 . 1 1 42 42 ARG H H 700 8.844 8.844 7.889 0.955 18183 7123 1 12 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.620 -0.405 18183 7124 1 12 . 1 1 43 43 PRO C C 701 176.485 176.485 176.435 0.050 18183 7125 1 12 . 1 1 43 43 PRO CA C 701 64.030 64.030 62.994 1.036 18183 7126 1 12 . 1 1 43 43 PRO CB C 701 31.450 31.450 32.427 -0.977 18183 7127 1 12 . 1 1 44 44 ALA N N 702 120.718 120.718 121.436 -0.718 18183 7128 1 12 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.015 0.228 18183 7129 1 12 . 1 1 44 44 ALA C C 702 176.924 176.924 177.355 -0.431 18183 7130 1 12 . 1 1 44 44 ALA CA C 702 52.068 52.068 52.757 -0.689 18183 7131 1 12 . 1 1 44 44 ALA CB C 702 19.427 19.427 18.005 1.422 18183 7132 1 12 . 1 1 44 44 ALA H H 702 8.217 8.217 8.573 -0.356 18183 7133 1 12 . 1 1 45 45 GLU N N 703 118.107 118.107 117.236 0.871 18183 7134 1 12 . 1 1 45 45 GLU HA H 703 4.305 4.305 3.973 0.332 18183 7135 1 12 . 1 1 45 45 GLU C C 703 176.308 176.308 175.611 0.697 18183 7136 1 12 . 1 1 45 45 GLU H H 703 7.638 7.638 8.702 -1.064 18183 7137 1 12 . 1 1 46 46 ALA N N 704 122.161 122.161 114.752 7.409 18183 7138 1 12 . 1 1 46 46 ALA HA H 704 4.135 4.135 3.844 0.291 18183 7139 1 12 . 1 1 46 46 ALA C C 704 178.439 178.439 175.977 2.462 18183 7140 1 12 . 1 1 46 46 ALA H H 704 8.596 8.596 8.119 0.477 18183 7141 1 12 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.766 -0.120 18183 7142 1 12 . 1 1 47 47 GLU C C 705 175.340 175.340 175.677 -0.337 18183 7143 1 12 . 1 1 47 47 GLU H H 705 7.642 7.642 7.771 -0.129 18183 7144 1 12 . 1 1 48 48 ARG N N 706 122.871 122.871 121.661 1.210 18183 7145 1 12 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.539 0.101 18183 7146 1 12 . 1 1 48 48 ARG C C 706 175.645 175.645 176.189 -0.544 18183 7147 1 12 . 1 1 48 48 ARG H H 706 8.163 8.163 8.496 -0.333 18183 7148 1 12 . 1 1 49 49 PHE N N 707 113.719 113.719 116.511 -2.792 18183 7149 1 12 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.854 0.930 18183 7150 1 12 . 1 1 49 49 PHE C C 707 174.536 174.536 173.604 0.932 18183 7151 1 12 . 1 1 49 49 PHE H H 707 8.370 8.370 7.571 0.799 18183 7152 1 12 . 1 1 50 50 ALA N N 708 119.650 119.650 122.010 -2.360 18183 7153 1 12 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.123 -0.003 18183 7154 1 12 . 1 1 50 50 ALA C C 708 175.964 175.964 175.128 0.836 18183 7155 1 12 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.893 0.120 18183 7156 1 12 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.667 -0.787 18183 7157 1 12 . 1 1 50 50 ALA H H 708 8.868 8.868 8.617 0.251 18183 7158 1 12 . 1 1 51 51 ILE N N 709 121.077 121.077 122.039 -0.962 18183 7159 1 12 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.796 -0.149 18183 7160 1 12 . 1 1 51 51 ILE C C 709 175.049 175.049 174.815 0.234 18183 7161 1 12 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.271 0.228 18183 7162 1 12 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.745 -0.749 18183 7163 1 12 . 1 1 51 51 ILE H H 709 9.130 9.130 8.416 0.714 18183 7164 1 12 . 1 1 52 52 SER N N 710 125.122 125.122 120.739 4.383 18183 7165 1 12 . 1 1 52 52 SER HA H 710 5.454 5.454 5.518 -0.064 18183 7166 1 12 . 1 1 52 52 SER C C 710 172.024 172.024 172.561 -0.537 18183 7167 1 12 . 1 1 52 52 SER CA C 710 57.614 57.614 56.117 1.497 18183 7168 1 12 . 1 1 52 52 SER CB C 710 64.989 64.989 65.666 -0.677 18183 7169 1 12 . 1 1 52 52 SER H H 710 9.204 9.204 9.028 0.176 18183 7170 1 12 . 1 1 53 53 ILE N N 711 121.512 121.512 124.150 -2.638 18183 7171 1 12 . 1 1 53 53 ILE HA H 711 5.139 5.139 5.024 0.115 18183 7172 1 12 . 1 1 53 53 ILE C C 711 173.093 173.093 173.018 0.075 18183 7173 1 12 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.060 -1.427 18183 7174 1 12 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.328 -0.505 18183 7175 1 12 . 1 1 53 53 ILE H H 711 8.825 8.825 8.088 0.737 18183 7176 1 12 . 1 1 54 54 LYS N N 712 128.814 128.814 125.513 3.301 18183 7177 1 12 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.199 -0.444 18183 7178 1 12 . 1 1 54 54 LYS C C 712 174.850 174.850 175.040 -0.190 18183 7179 1 12 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.614 -0.369 18183 7180 1 12 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.124 0.210 18183 7181 1 12 . 1 1 54 54 LYS H H 712 8.863 8.863 8.580 0.283 18183 7182 1 12 . 1 1 55 55 PHE N N 713 130.119 130.119 125.941 4.178 18183 7183 1 12 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.727 0.141 18183 7184 1 12 . 1 1 55 55 PHE C C 713 174.223 174.223 174.570 -0.347 18183 7185 1 12 . 1 1 55 55 PHE CA C 713 58.149 58.149 56.835 1.314 18183 7186 1 12 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.585 -1.983 18183 7187 1 12 . 1 1 55 55 PHE H H 713 9.373 9.373 8.499 0.874 18183 7188 1 12 . 1 1 56 56 ASN N N 714 125.766 125.766 123.580 2.186 18183 7189 1 12 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.114 -0.216 18183 7190 1 12 . 1 1 56 56 ASN C C 714 173.945 173.945 174.186 -0.241 18183 7191 1 12 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.218 0.788 18183 7192 1 12 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.977 -2.015 18183 7193 1 12 . 1 1 56 56 ASN H H 714 8.364 8.364 8.423 -0.059 18183 7194 1 12 . 1 1 57 57 ASP N N 715 117.708 117.708 114.004 3.704 18183 7195 1 12 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.219 0.332 18183 7196 1 12 . 1 1 57 57 ASP C C 715 174.766 174.766 175.051 -0.285 18183 7197 1 12 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.676 -0.631 18183 7198 1 12 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.536 0.041 18183 7199 1 12 . 1 1 57 57 ASP H H 715 8.536 8.536 8.662 -0.126 18183 7200 1 12 . 1 1 58 58 GLU N N 716 118.715 118.715 116.418 2.297 18183 7201 1 12 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.629 0.036 18183 7202 1 12 . 1 1 58 58 GLU C C 716 173.786 173.786 174.489 -0.703 18183 7203 1 12 . 1 1 58 58 GLU CA C 716 54.942 54.942 54.803 0.139 18183 7204 1 12 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.263 -0.100 18183 7205 1 12 . 1 1 58 58 GLU H H 716 7.873 7.873 7.672 0.201 18183 7206 1 12 . 1 1 59 59 VAL N N 717 120.798 120.798 122.393 -1.595 18183 7207 1 12 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.457 -0.084 18183 7208 1 12 . 1 1 59 59 VAL C C 717 175.325 175.325 175.192 0.133 18183 7209 1 12 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.307 0.632 18183 7210 1 12 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.421 0.596 18183 7211 1 12 . 1 1 59 59 VAL H H 717 8.473 8.473 8.502 -0.029 18183 7212 1 12 . 1 1 60 60 LYS N N 718 127.136 127.136 126.145 0.991 18183 7213 1 12 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.155 0.276 18183 7214 1 12 . 1 1 60 60 LYS C C 718 174.439 174.439 174.955 -0.516 18183 7215 1 12 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.595 -1.786 18183 7216 1 12 . 1 1 60 60 LYS CB C 718 33.105 33.105 33.319 -0.214 18183 7217 1 12 . 1 1 60 60 LYS H H 718 8.903 8.903 7.784 1.119 18183 7218 1 12 . 1 1 61 61 HIS N N 719 119.956 119.956 119.879 0.077 18183 7219 1 12 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.093 0.130 18183 7220 1 12 . 1 1 61 61 HIS C C 719 175.173 175.173 174.925 0.248 18183 7221 1 12 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.813 0.347 18183 7222 1 12 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.442 3.439 18183 7223 1 12 . 1 1 61 61 HIS H H 719 8.422 8.422 8.354 0.068 18183 7224 1 12 . 1 1 62 62 ILE N N 720 126.629 126.629 124.220 2.409 18183 7225 1 12 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.204 -0.068 18183 7226 1 12 . 1 1 62 62 ILE C C 720 175.372 175.372 175.650 -0.278 18183 7227 1 12 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.792 -1.816 18183 7228 1 12 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.931 2.097 18183 7229 1 12 . 1 1 62 62 ILE H H 720 9.646 9.646 8.482 1.164 18183 7230 1 12 . 1 1 63 63 LYS N N 721 127.276 127.276 126.395 0.881 18183 7231 1 12 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.547 -0.320 18183 7232 1 12 . 1 1 63 63 LYS C C 721 174.877 174.877 175.763 -0.886 18183 7233 1 12 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.683 1.857 18183 7234 1 12 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.217 -0.168 18183 7235 1 12 . 1 1 63 63 LYS H H 721 8.741 8.741 8.501 0.240 18183 7236 1 12 . 1 1 64 64 VAL N N 722 123.343 123.343 123.795 -0.452 18183 7237 1 12 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.311 -0.138 18183 7238 1 12 . 1 1 64 64 VAL C C 722 174.522 174.522 174.604 -0.082 18183 7239 1 12 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.943 0.552 18183 7240 1 12 . 1 1 64 64 VAL CB C 722 30.392 30.392 32.481 -2.090 18183 7241 1 12 . 1 1 64 64 VAL H H 722 8.166 8.166 8.019 0.147 18183 7242 1 12 . 1 1 65 65 VAL N N 723 127.934 127.934 125.965 1.969 18183 7243 1 12 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.549 -0.403 18183 7244 1 12 . 1 1 65 65 VAL C C 723 174.212 174.212 175.225 -1.013 18183 7245 1 12 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.538 1.214 18183 7246 1 12 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.056 -0.777 18183 7247 1 12 . 1 1 65 65 VAL H H 723 8.469 8.469 7.891 0.578 18183 7248 1 12 . 1 1 66 66 GLU N N 724 125.632 125.632 127.188 -1.556 18183 7249 1 12 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.312 -0.156 18183 7250 1 12 . 1 1 66 66 GLU C C 724 175.573 175.573 175.539 0.034 18183 7251 1 12 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.155 -0.598 18183 7252 1 12 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.802 0.639 18183 7253 1 12 . 1 1 66 66 GLU H H 724 8.518 8.518 8.827 -0.309 18183 7254 1 12 . 1 1 67 67 LYS N N 725 125.857 125.857 124.544 1.313 18183 7255 1 12 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.554 -0.102 18183 7256 1 12 . 1 1 67 67 LYS C C 725 175.624 175.624 175.383 0.241 18183 7257 1 12 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.051 0.203 18183 7258 1 12 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.537 -0.496 18183 7259 1 12 . 1 1 67 67 LYS H H 725 8.671 8.671 9.032 -0.361 18183 7260 1 12 . 1 1 68 68 ASP N N 726 127.302 127.302 123.091 4.211 18183 7261 1 12 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.387 -0.196 18183 7262 1 12 . 1 1 68 68 ASP C C 726 174.291 174.291 175.271 -0.980 18183 7263 1 12 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.801 0.221 18183 7264 1 12 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.489 -0.098 18183 7265 1 12 . 1 1 68 68 ASP H H 726 9.485 9.485 8.888 0.597 18183 7266 1 12 . 1 1 69 69 ASN N N 727 110.250 110.250 113.155 -2.905 18183 7267 1 12 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.366 -0.143 18183 7268 1 12 . 1 1 69 69 ASN C C 727 173.825 173.825 173.421 0.404 18183 7269 1 12 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.773 -0.101 18183 7270 1 12 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.574 -1.230 18183 7271 1 12 . 1 1 69 69 ASN H H 727 8.344 8.344 8.653 -0.309 18183 7272 1 12 . 1 1 70 70 TRP N N 728 119.098 119.098 115.563 3.535 18183 7273 1 12 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.901 0.415 18183 7274 1 12 . 1 1 70 70 TRP C C 728 174.989 174.989 174.531 0.458 18183 7275 1 12 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.489 0.223 18183 7276 1 12 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.368 0.975 18183 7277 1 12 . 1 1 70 70 TRP H H 728 8.050 8.050 7.802 0.248 18183 7278 1 12 . 1 1 71 71 ILE N N 729 121.706 121.706 120.616 1.090 18183 7279 1 12 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.088 0.424 18183 7280 1 12 . 1 1 71 71 ILE C C 729 175.265 175.265 173.757 1.508 18183 7281 1 12 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.525 -0.731 18183 7282 1 12 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.585 -0.494 18183 7283 1 12 . 1 1 71 71 ILE H H 729 9.298 9.298 8.736 0.562 18183 7284 1 12 . 1 1 72 72 HIS N N 730 121.063 121.063 124.468 -3.405 18183 7285 1 12 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.169 -0.018 18183 7286 1 12 . 1 1 72 72 HIS C C 730 173.774 173.774 174.387 -0.613 18183 7287 1 12 . 1 1 72 72 HIS CA C 730 56.519 56.519 54.763 1.756 18183 7288 1 12 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.082 1.427 18183 7289 1 12 . 1 1 72 72 HIS H H 730 9.024 9.024 8.940 0.084 18183 7290 1 12 . 1 1 73 73 ILE N N 731 112.363 112.363 116.175 -3.812 18183 7291 1 12 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.414 0.482 18183 7292 1 12 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.108 0.194 18183 7293 1 12 . 1 1 73 73 ILE CB C 731 39.387 39.387 39.000 0.387 18183 7294 1 12 . 1 1 73 73 ILE H H 731 9.425 9.425 8.851 0.574 18183 7295 1 12 . 1 1 74 74 THR N N 732 117.292 117.292 113.411 3.881 18183 7296 1 12 . 1 1 74 74 THR HA H 732 4.679 4.679 4.351 0.328 18183 7297 1 12 . 1 1 74 74 THR C C 732 173.467 173.467 173.528 -0.061 18183 7298 1 12 . 1 1 74 74 THR CA C 732 59.795 59.795 60.627 -0.833 18183 7299 1 12 . 1 1 74 74 THR CB C 732 69.896 69.896 71.041 -1.145 18183 7300 1 12 . 1 1 74 74 THR H H 732 8.421 8.421 7.600 0.821 18183 7301 1 12 . 1 1 75 75 GLU N N 733 123.689 123.689 120.257 3.432 18183 7302 1 12 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.331 -1.357 18183 7303 1 12 . 1 1 75 75 GLU C C 733 175.819 175.819 176.575 -0.756 18183 7304 1 12 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.921 1.977 18183 7305 1 12 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.506 -0.515 18183 7306 1 12 . 1 1 75 75 GLU H H 733 8.615 8.615 8.605 0.010 18183 7307 1 12 . 1 1 76 76 ALA N N 734 117.705 117.705 121.825 -4.120 18183 7308 1 12 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.252 -0.340 18183 7309 1 12 . 1 1 76 76 ALA C C 734 177.024 177.024 177.190 -0.166 18183 7310 1 12 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.990 0.272 18183 7311 1 12 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.405 0.392 18183 7312 1 12 . 1 1 76 76 ALA H H 734 7.654 7.654 8.177 -0.523 18183 7313 1 12 . 1 1 77 77 LYS N N 735 119.239 119.239 118.031 1.208 18183 7314 1 12 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.262 -0.171 18183 7315 1 12 . 1 1 77 77 LYS C C 735 172.048 172.048 174.169 -2.121 18183 7316 1 12 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.943 -1.570 18183 7317 1 12 . 1 1 77 77 LYS CB C 735 33.343 33.343 35.219 -1.876 18183 7318 1 12 . 1 1 77 77 LYS H H 735 7.214 7.214 7.906 -0.692 18183 7319 1 12 . 1 1 78 78 LYS N N 736 123.194 123.194 122.831 0.363 18183 7320 1 12 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.772 -0.035 18183 7321 1 12 . 1 1 78 78 LYS C C 736 174.901 174.901 175.270 -0.369 18183 7322 1 12 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.073 -0.370 18183 7323 1 12 . 1 1 78 78 LYS CB C 736 35.093 35.093 34.199 0.894 18183 7324 1 12 . 1 1 78 78 LYS H H 736 7.850 7.850 7.976 -0.126 18183 7325 1 12 . 1 1 79 79 PHE N N 737 117.645 117.645 119.786 -2.141 18183 7326 1 12 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.973 -0.047 18183 7327 1 12 . 1 1 79 79 PHE C C 737 175.500 175.500 175.053 0.447 18183 7328 1 12 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.400 -0.487 18183 7329 1 12 . 1 1 79 79 PHE CB C 737 43.468 43.468 43.296 0.172 18183 7330 1 12 . 1 1 79 79 PHE H H 737 9.079 9.079 8.487 0.592 18183 7331 1 12 . 1 1 80 80 ASP N N 738 119.264 119.264 121.160 -1.896 18183 7332 1 12 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.643 1.074 18183 7333 1 12 . 1 1 80 80 ASP C C 738 176.014 176.014 176.285 -0.271 18183 7334 1 12 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.576 -0.931 18183 7335 1 12 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.242 0.478 18183 7336 1 12 . 1 1 80 80 ASP H H 738 9.332 9.332 8.929 0.403 18183 7337 1 12 . 1 1 81 81 SER N N 739 108.541 108.541 111.999 -3.458 18183 7338 1 12 . 1 1 81 81 SER HA H 739 4.649 4.649 4.740 -0.091 18183 7339 1 12 . 1 1 81 81 SER C C 739 173.719 173.719 174.575 -0.856 18183 7340 1 12 . 1 1 81 81 SER CA C 739 57.148 57.148 56.325 0.823 18183 7341 1 12 . 1 1 81 81 SER CB C 739 66.475 66.475 66.336 0.139 18183 7342 1 12 . 1 1 81 81 SER H H 739 7.379 7.379 7.656 -0.277 18183 7343 1 12 . 1 1 82 82 LEU N N 740 122.926 122.926 124.041 -1.115 18183 7344 1 12 . 1 1 82 82 LEU HA H 740 3.756 3.756 4.073 -0.317 18183 7345 1 12 . 1 1 82 82 LEU C C 740 177.267 177.267 177.979 -0.712 18183 7346 1 12 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.181 -0.347 18183 7347 1 12 . 1 1 82 82 LEU CB C 740 40.583 40.583 42.085 -1.502 18183 7348 1 12 . 1 1 82 82 LEU H H 740 8.939 8.939 9.149 -0.210 18183 7349 1 12 . 1 1 83 83 LEU N N 741 116.722 116.722 118.364 -1.642 18183 7350 1 12 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.779 -0.004 18183 7351 1 12 . 1 1 83 83 LEU C C 741 177.528 177.528 178.198 -0.670 18183 7352 1 12 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.360 -0.221 18183 7353 1 12 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.344 0.333 18183 7354 1 12 . 1 1 83 83 LEU H H 741 7.814 7.814 7.995 -0.181 18183 7355 1 12 . 1 1 84 84 GLU N N 742 116.747 116.747 119.301 -2.554 18183 7356 1 12 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.914 -0.047 18183 7357 1 12 . 1 1 84 84 GLU C C 742 178.282 178.282 178.496 -0.214 18183 7358 1 12 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.033 0.106 18183 7359 1 12 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.389 1.044 18183 7360 1 12 . 1 1 84 84 GLU H H 742 7.541 7.541 7.401 0.140 18183 7361 1 12 . 1 1 85 85 LEU N N 743 122.157 122.157 120.457 1.700 18183 7362 1 12 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.714 -0.751 18183 7363 1 12 . 1 1 85 85 LEU C C 743 177.315 177.315 178.294 -0.979 18183 7364 1 12 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.550 1.189 18183 7365 1 12 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.810 -0.095 18183 7366 1 12 . 1 1 85 85 LEU H H 743 7.076 7.076 7.174 -0.098 18183 7367 1 12 . 1 1 86 86 VAL N N 744 119.754 119.754 117.792 1.962 18183 7368 1 12 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.391 -0.601 18183 7369 1 12 . 1 1 86 86 VAL C C 744 177.621 177.621 178.267 -0.646 18183 7370 1 12 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.104 0.740 18183 7371 1 12 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.105 0.860 18183 7372 1 12 . 1 1 86 86 VAL H H 744 8.116 8.116 7.421 0.695 18183 7373 1 12 . 1 1 87 87 GLU N N 745 116.169 116.169 119.643 -3.474 18183 7374 1 12 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.877 -0.162 18183 7375 1 12 . 1 1 87 87 GLU C C 745 179.560 179.560 178.910 0.650 18183 7376 1 12 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.805 -0.483 18183 7377 1 12 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.218 -0.132 18183 7378 1 12 . 1 1 87 87 GLU H H 745 8.168 8.168 7.297 0.871 18183 7379 1 12 . 1 1 88 88 TYR N N 746 120.022 120.022 120.340 -0.318 18183 7380 1 12 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.122 -0.029 18183 7381 1 12 . 1 1 88 88 TYR C C 746 180.010 180.010 178.588 1.422 18183 7382 1 12 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.707 0.887 18183 7383 1 12 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.736 0.092 18183 7384 1 12 . 1 1 88 88 TYR H H 746 7.774 7.774 7.653 0.121 18183 7385 1 12 . 1 1 89 89 TYR N N 747 118.480 118.480 117.897 0.583 18183 7386 1 12 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.545 0.510 18183 7387 1 12 . 1 1 89 89 TYR C C 747 175.796 175.796 178.656 -2.860 18183 7388 1 12 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.254 -0.117 18183 7389 1 12 . 1 1 89 89 TYR CB C 747 36.930 36.930 38.269 -1.339 18183 7390 1 12 . 1 1 89 89 TYR H H 747 7.782 7.782 8.474 -0.692 18183 7391 1 12 . 1 1 90 90 GLN N N 748 118.696 118.696 119.217 -0.521 18183 7392 1 12 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.772 0.617 18183 7393 1 12 . 1 1 90 90 GLN C C 748 177.777 177.777 176.635 1.142 18183 7394 1 12 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.243 -1.526 18183 7395 1 12 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.714 -0.194 18183 7396 1 12 . 1 1 90 90 GLN H H 748 7.838 7.838 8.142 -0.304 18183 7397 1 12 . 1 1 91 91 CYS N N 749 111.118 111.118 113.328 -2.210 18183 7398 1 12 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.437 0.165 18183 7399 1 12 . 1 1 91 91 CYS C C 749 172.887 172.887 173.439 -0.552 18183 7400 1 12 . 1 1 91 91 CYS CA C 749 57.434 57.434 57.971 -0.537 18183 7401 1 12 . 1 1 91 91 CYS CB C 749 29.266 29.266 27.050 2.216 18183 7402 1 12 . 1 1 91 91 CYS H H 749 7.145 7.145 7.468 -0.323 18183 7403 1 12 . 1 1 92 92 HIS N N 750 120.227 120.227 119.505 0.722 18183 7404 1 12 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.605 -0.273 18183 7405 1 12 . 1 1 92 92 HIS C C 750 171.842 171.842 173.455 -1.613 18183 7406 1 12 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.012 0.065 18183 7407 1 12 . 1 1 92 92 HIS CB C 750 29.376 29.376 32.650 -3.274 18183 7408 1 12 . 1 1 92 92 HIS H H 750 7.470 7.470 7.720 -0.250 18183 7409 1 12 . 1 1 93 93 SER N N 751 113.120 113.120 120.560 -7.440 18183 7410 1 12 . 1 1 93 93 SER HA H 751 3.782 3.782 4.432 -0.650 18183 7411 1 12 . 1 1 93 93 SER C C 751 176.653 176.653 175.422 1.231 18183 7412 1 12 . 1 1 93 93 SER CA C 751 57.812 57.812 59.681 -1.869 18183 7413 1 12 . 1 1 93 93 SER CB C 751 62.783 62.783 63.966 -1.183 18183 7414 1 12 . 1 1 93 93 SER H H 751 8.404 8.404 8.835 -0.431 18183 7415 1 12 . 1 1 94 94 LEU N N 752 127.293 127.293 123.451 3.842 18183 7416 1 12 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.698 -0.629 18183 7417 1 12 . 1 1 94 94 LEU C C 752 177.524 177.524 177.859 -0.335 18183 7418 1 12 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.097 2.299 18183 7419 1 12 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.751 1.736 18183 7420 1 12 . 1 1 94 94 LEU H H 752 8.553 8.553 8.374 0.179 18183 7421 1 12 . 1 1 95 95 LYS N N 753 122.249 122.249 119.056 3.193 18183 7422 1 12 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.485 -0.157 18183 7423 1 12 . 1 1 95 95 LYS C C 753 176.426 176.426 178.136 -1.710 18183 7424 1 12 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.507 -0.952 18183 7425 1 12 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.208 0.966 18183 7426 1 12 . 1 1 95 95 LYS H H 753 8.303 8.303 8.356 -0.053 18183 7427 1 12 . 1 1 96 96 GLU N N 754 115.401 115.401 117.948 -2.547 18183 7428 1 12 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.065 0.020 18183 7429 1 12 . 1 1 96 96 GLU C C 754 176.838 176.838 177.308 -0.470 18183 7430 1 12 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.540 -0.443 18183 7431 1 12 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.324 0.176 18183 7432 1 12 . 1 1 96 96 GLU H H 754 7.188 7.188 8.377 -1.189 18183 7433 1 12 . 1 1 97 97 SER N N 755 113.852 113.852 113.122 0.730 18183 7434 1 12 . 1 1 97 97 SER HA H 755 4.402 4.402 4.393 0.009 18183 7435 1 12 . 1 1 97 97 SER C C 755 172.067 172.067 174.170 -2.103 18183 7436 1 12 . 1 1 97 97 SER CA C 755 59.448 59.448 59.451 -0.003 18183 7437 1 12 . 1 1 97 97 SER CB C 755 65.680 65.680 64.877 0.803 18183 7438 1 12 . 1 1 97 97 SER H H 755 7.838 7.838 7.751 0.087 18183 7439 1 12 . 1 1 98 98 PHE N N 756 121.742 121.742 122.497 -0.755 18183 7440 1 12 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.763 -0.193 18183 7441 1 12 . 1 1 98 98 PHE C C 756 174.941 174.941 175.853 -0.912 18183 7442 1 12 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.712 0.036 18183 7443 1 12 . 1 1 98 98 PHE CB C 756 40.281 40.281 38.949 1.332 18183 7444 1 12 . 1 1 98 98 PHE H H 756 8.223 8.223 8.745 -0.522 18183 7445 1 12 . 1 1 99 99 LYS N N 757 122.713 122.713 124.310 -1.597 18183 7446 1 12 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.095 -0.024 18183 7447 1 12 . 1 1 99 99 LYS C C 757 176.793 176.793 177.563 -0.770 18183 7448 1 12 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.221 -0.064 18183 7449 1 12 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.133 0.200 18183 7450 1 12 . 1 1 99 99 LYS H H 757 8.388 8.388 8.647 -0.259 18183 7451 1 12 . 1 1 100 100 GLN N N 758 114.972 114.972 116.744 -1.772 18183 7452 1 12 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.408 -0.247 18183 7453 1 12 . 1 1 100 100 GLN C C 758 175.591 175.591 175.833 -0.242 18183 7454 1 12 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.556 -0.087 18183 7455 1 12 . 1 1 100 100 GLN CB C 758 27.987 27.987 29.456 -1.469 18183 7456 1 12 . 1 1 100 100 GLN H H 758 8.662 8.662 8.297 0.365 18183 7457 1 12 . 1 1 101 101 LEU N N 759 124.472 124.472 122.036 2.436 18183 7458 1 12 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.454 -0.775 18183 7459 1 12 . 1 1 101 101 LEU C C 759 173.228 173.228 174.782 -1.554 18183 7460 1 12 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.597 -2.272 18183 7461 1 12 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.520 -1.008 18183 7462 1 12 . 1 1 101 101 LEU H H 759 7.884 7.884 7.276 0.608 18183 7463 1 12 . 1 1 102 102 ASP N N 760 119.321 119.321 125.448 -6.127 18183 7464 1 12 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.842 -0.357 18183 7465 1 12 . 1 1 102 102 ASP C C 760 173.467 173.467 174.401 -0.934 18183 7466 1 12 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.163 -1.038 18183 7467 1 12 . 1 1 102 102 ASP CB C 760 39.028 39.028 41.551 -2.523 18183 7468 1 12 . 1 1 102 102 ASP H H 760 6.594 6.594 8.517 -1.923 18183 7469 1 12 . 1 1 103 103 THR N N 761 117.213 117.213 115.801 1.412 18183 7470 1 12 . 1 1 103 103 THR HA H 761 4.643 4.643 4.297 0.346 18183 7471 1 12 . 1 1 103 103 THR C C 761 172.158 172.158 173.551 -1.393 18183 7472 1 12 . 1 1 103 103 THR CA C 761 60.197 60.197 61.081 -0.884 18183 7473 1 12 . 1 1 103 103 THR CB C 761 69.046 69.046 69.654 -0.609 18183 7474 1 12 . 1 1 103 103 THR H H 761 7.637 7.637 7.523 0.114 18183 7475 1 12 . 1 1 104 104 THR N N 762 114.193 114.193 116.104 -1.911 18183 7476 1 12 . 1 1 104 104 THR HA H 762 4.569 4.569 4.379 0.190 18183 7477 1 12 . 1 1 104 104 THR C C 762 175.698 175.698 174.422 1.276 18183 7478 1 12 . 1 1 104 104 THR CA C 762 60.808 60.808 59.495 1.313 18183 7479 1 12 . 1 1 104 104 THR CB C 762 70.636 70.636 70.405 0.231 18183 7480 1 12 . 1 1 104 104 THR H H 762 7.284 7.284 8.206 -0.922 18183 7481 1 12 . 1 1 105 105 LEU N N 763 117.473 117.473 122.011 -4.538 18183 7482 1 12 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.681 -0.218 18183 7483 1 12 . 1 1 105 105 LEU C C 763 174.348 174.348 176.597 -2.249 18183 7484 1 12 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.148 -1.166 18183 7485 1 12 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.086 -3.403 18183 7486 1 12 . 1 1 105 105 LEU H H 763 8.093 8.093 8.185 -0.092 18183 7487 1 12 . 1 1 106 106 LYS N N 764 127.491 127.491 122.757 4.734 18183 7488 1 12 . 1 1 106 106 LYS HA H 764 3.958 3.958 3.788 0.170 18183 7489 1 12 . 1 1 106 106 LYS C C 764 176.734 176.734 176.395 0.339 18183 7490 1 12 . 1 1 106 106 LYS CA C 764 59.696 59.696 58.676 1.020 18183 7491 1 12 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.277 1.890 18183 7492 1 12 . 1 1 106 106 LYS H H 764 7.118 7.118 7.984 -0.866 18183 7493 1 12 . 1 1 107 107 TYR N N 765 115.804 115.804 115.562 0.242 18183 7494 1 12 . 1 1 107 107 TYR HA H 765 5.464 5.464 5.135 0.329 18183 7495 1 12 . 1 1 107 107 TYR C C 765 172.048 172.048 173.073 -1.025 18183 7496 1 12 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.819 -2.300 18183 7497 1 12 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.821 1.555 18183 7498 1 12 . 1 1 107 107 TYR H H 765 7.848 7.848 7.754 0.094 18183 7499 1 12 . 1 1 108 108 PRO HA H 766 3.626 3.626 3.684 -0.059 18183 7500 1 12 . 1 1 108 108 PRO C C 766 180.469 180.469 177.634 2.835 18183 7501 1 12 . 1 1 109 109 TYR N N 767 122.791 122.791 119.469 3.322 18183 7502 1 12 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.206 -0.422 18183 7503 1 12 . 1 1 109 109 TYR C C 767 174.575 174.575 177.743 -3.168 18183 7504 1 12 . 1 1 109 109 TYR CA C 767 60.986 60.986 61.188 -0.202 18183 7505 1 12 . 1 1 109 109 TYR CB C 767 37.626 37.626 38.233 -0.607 18183 7506 1 12 . 1 1 109 109 TYR H H 767 8.306 8.306 8.269 0.037 18183 7507 1 12 . 1 1 110 110 LYS N N 768 118.817 118.817 117.180 1.637 18183 7508 1 12 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.236 -0.333 18183 7509 1 12 . 1 1 110 110 LYS C C 768 176.259 176.259 176.695 -0.436 18183 7510 1 12 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.196 -1.601 18183 7511 1 12 . 1 1 110 110 LYS CB C 768 32.605 32.605 33.539 -0.934 18183 7512 1 12 . 1 1 110 110 LYS H H 768 6.785 6.785 8.407 -1.622 18183 7513 1 12 . 1 1 111 111 SER N N 769 114.539 114.539 109.504 5.035 18183 7514 1 12 . 1 1 111 111 SER HA H 769 4.317 4.317 4.494 -0.177 18183 7515 1 12 . 1 1 111 111 SER C C 769 174.092 174.092 172.761 1.331 18183 7516 1 12 . 1 1 111 111 SER CA C 769 58.647 58.647 58.784 -0.137 18183 7517 1 12 . 1 1 111 111 SER CB C 769 63.883 63.883 64.548 -0.665 18183 7518 1 12 . 1 1 111 111 SER H H 769 7.765 7.765 8.029 -0.264 18183 7519 1 12 . 1 1 112 112 ARG N N 770 122.458 122.458 120.133 2.325 18183 7520 1 12 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.708 -0.386 18183 7521 1 12 . 1 1 112 112 ARG C C 770 175.130 175.130 174.920 0.210 18183 7522 1 12 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.700 -0.036 18183 7523 1 12 . 1 1 112 112 ARG CB C 770 30.880 30.880 30.830 0.050 18183 7524 1 12 . 1 1 112 112 ARG H H 770 8.082 8.082 8.133 -0.051 18183 7525 1 13 . 1 1 2 2 ARG N N 660 123.546 123.546 122.912 0.634 18183 7526 1 13 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.552 0.024 18183 7527 1 13 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.843 -0.993 18183 7528 1 13 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.067 0.280 18183 7529 1 13 . 1 1 2 2 ARG H H 660 8.258 8.258 8.233 0.025 18183 7530 1 13 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.521 -0.165 18183 7531 1 13 . 1 1 4 4 PRO C C 662 177.047 177.047 176.917 0.130 18183 7532 1 13 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.831 0.390 18183 7533 1 13 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.395 -0.420 18183 7534 1 13 . 1 1 5 5 SER N N 663 116.108 116.108 118.586 -2.478 18183 7535 1 13 . 1 1 5 5 SER HA H 663 4.335 4.335 4.444 -0.109 18183 7536 1 13 . 1 1 5 5 SER C C 663 174.708 174.708 175.243 -0.535 18183 7537 1 13 . 1 1 5 5 SER CA C 663 58.639 58.639 59.467 -0.828 18183 7538 1 13 . 1 1 5 5 SER CB C 663 63.849 63.849 63.551 0.298 18183 7539 1 13 . 1 1 5 5 SER H H 663 8.385 8.385 8.556 -0.171 18183 7540 1 13 . 1 1 6 6 ARG N N 664 122.132 122.132 121.510 0.622 18183 7541 1 13 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.564 -0.245 18183 7542 1 13 . 1 1 6 6 ARG C C 664 175.951 175.951 174.621 1.330 18183 7543 1 13 . 1 1 6 6 ARG CA C 664 55.931 55.931 55.752 0.179 18183 7544 1 13 . 1 1 6 6 ARG CB C 664 30.832 30.832 29.887 0.945 18183 7545 1 13 . 1 1 6 6 ARG H H 664 8.347 8.347 8.052 0.295 18183 7546 1 13 . 1 1 7 7 GLU N N 665 122.268 122.268 121.130 1.138 18183 7547 1 13 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.559 -0.297 18183 7548 1 13 . 1 1 7 7 GLU C C 665 175.809 175.809 175.255 0.554 18183 7549 1 13 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.523 0.647 18183 7550 1 13 . 1 1 7 7 GLU CB C 665 29.908 29.908 31.898 -1.990 18183 7551 1 13 . 1 1 7 7 GLU H H 665 8.336 8.336 8.160 0.176 18183 7552 1 13 . 1 1 8 8 ILE N N 666 123.984 123.984 123.587 0.397 18183 7553 1 13 . 1 1 8 8 ILE HA H 666 3.780 3.780 3.903 -0.123 18183 7554 1 13 . 1 1 8 8 ILE C C 666 174.325 174.325 175.726 -1.401 18183 7555 1 13 . 1 1 8 8 ILE CA C 666 60.809 60.809 61.315 -0.506 18183 7556 1 13 . 1 1 8 8 ILE CB C 666 39.233 39.233 37.878 1.355 18183 7557 1 13 . 1 1 8 8 ILE H H 666 7.920 7.920 8.238 -0.318 18183 7558 1 13 . 1 1 9 9 ASP N N 667 124.228 124.228 127.682 -3.454 18183 7559 1 13 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.770 -0.202 18183 7560 1 13 . 1 1 9 9 ASP C C 667 177.001 177.001 176.167 0.834 18183 7561 1 13 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.243 -1.252 18183 7562 1 13 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.908 0.402 18183 7563 1 13 . 1 1 9 9 ASP H H 667 8.072 8.072 8.451 -0.379 18183 7564 1 13 . 1 1 10 10 TYR N N 668 125.329 125.329 120.255 5.074 18183 7565 1 13 . 1 1 10 10 TYR HA H 668 4.128 4.128 3.790 0.338 18183 7566 1 13 . 1 1 10 10 TYR C C 668 175.901 175.901 177.274 -1.373 18183 7567 1 13 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.764 -0.207 18183 7568 1 13 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.666 -1.500 18183 7569 1 13 . 1 1 10 10 TYR H H 668 8.493 8.493 7.677 0.816 18183 7570 1 13 . 1 1 11 11 THR N N 669 108.533 108.533 111.360 -2.827 18183 7571 1 13 . 1 1 11 11 THR HA H 669 4.082 4.082 3.241 0.841 18183 7572 1 13 . 1 1 11 11 THR C C 669 175.170 175.170 175.075 0.095 18183 7573 1 13 . 1 1 11 11 THR CA C 669 64.701 64.701 63.882 0.819 18183 7574 1 13 . 1 1 11 11 THR CB C 669 68.924 68.924 67.646 1.278 18183 7575 1 13 . 1 1 11 11 THR H H 669 7.948 7.948 7.884 0.064 18183 7576 1 13 . 1 1 12 12 ALA N N 670 121.252 121.252 121.683 -0.431 18183 7577 1 13 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.268 -0.245 18183 7578 1 13 . 1 1 12 12 ALA C C 670 177.747 177.747 177.659 0.088 18183 7579 1 13 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.494 0.005 18183 7580 1 13 . 1 1 12 12 ALA CB C 670 19.227 19.227 19.126 0.101 18183 7581 1 13 . 1 1 12 12 ALA H H 670 7.366 7.366 7.405 -0.039 18183 7582 1 13 . 1 1 13 13 TYR N N 671 117.895 117.895 118.975 -1.080 18183 7583 1 13 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.217 0.035 18183 7584 1 13 . 1 1 13 13 TYR C C 671 176.545 176.545 175.153 1.392 18183 7585 1 13 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.792 -0.320 18183 7586 1 13 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.364 -0.805 18183 7587 1 13 . 1 1 13 13 TYR H H 671 7.490 7.490 7.552 -0.062 18183 7588 1 13 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.178 0.122 18183 7589 1 13 . 1 1 14 14 PRO C C 672 173.638 173.638 177.053 -3.415 18183 7590 1 13 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.838 -1.087 18183 7591 1 13 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.034 -0.790 18183 7592 1 13 . 1 1 15 15 TRP N N 673 109.940 109.940 115.282 -5.342 18183 7593 1 13 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.719 -0.013 18183 7594 1 13 . 1 1 15 15 TRP C C 673 175.471 175.471 177.252 -1.781 18183 7595 1 13 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.991 -3.141 18183 7596 1 13 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.952 3.484 18183 7597 1 13 . 1 1 15 15 TRP H H 673 6.184 6.184 7.493 -1.309 18183 7598 1 13 . 1 1 16 16 PHE N N 674 123.228 123.228 120.296 2.932 18183 7599 1 13 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.588 0.513 18183 7600 1 13 . 1 1 16 16 PHE C C 674 174.684 174.684 175.253 -0.569 18183 7601 1 13 . 1 1 16 16 PHE CA C 674 59.566 59.566 59.322 0.244 18183 7602 1 13 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.200 -0.232 18183 7603 1 13 . 1 1 16 16 PHE H H 674 7.585 7.585 7.752 -0.167 18183 7604 1 13 . 1 1 17 17 ALA N N 675 130.573 130.573 126.390 4.183 18183 7605 1 13 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.737 0.105 18183 7606 1 13 . 1 1 17 17 ALA C C 675 177.161 177.161 177.023 0.138 18183 7607 1 13 . 1 1 17 17 ALA CA C 675 51.168 51.168 52.022 -0.854 18183 7608 1 13 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.069 0.899 18183 7609 1 13 . 1 1 17 17 ALA H H 675 9.004 9.004 8.740 0.264 18183 7610 1 13 . 1 1 18 18 GLY C C 676 174.000 174.000 173.325 0.675 18183 7611 1 13 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.714 1.776 18183 7612 1 13 . 1 1 19 19 ASN N N 677 124.182 124.182 120.815 3.367 18183 7613 1 13 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.883 0.123 18183 7614 1 13 . 1 1 19 19 ASN C C 677 174.916 174.916 174.664 0.252 18183 7615 1 13 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.117 -0.512 18183 7616 1 13 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.764 -0.699 18183 7617 1 13 . 1 1 19 19 ASN H H 677 8.657 8.657 8.624 0.033 18183 7618 1 13 . 1 1 20 20 MET N N 678 122.806 122.806 121.362 1.444 18183 7619 1 13 . 1 1 20 20 MET HA H 678 4.173 4.173 4.569 -0.396 18183 7620 1 13 . 1 1 20 20 MET C C 678 175.317 175.317 175.807 -0.490 18183 7621 1 13 . 1 1 20 20 MET CA C 678 56.274 56.274 54.694 1.580 18183 7622 1 13 . 1 1 20 20 MET CB C 678 35.581 35.581 34.739 0.842 18183 7623 1 13 . 1 1 20 20 MET H H 678 7.158 7.158 7.568 -0.410 18183 7624 1 13 . 1 1 21 21 GLU N N 679 124.655 124.655 121.629 3.026 18183 7625 1 13 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.215 -0.014 18183 7626 1 13 . 1 1 21 21 GLU C C 679 178.105 178.105 177.951 0.154 18183 7627 1 13 . 1 1 21 21 GLU CA C 679 56.016 56.016 57.185 -1.169 18183 7628 1 13 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.626 0.264 18183 7629 1 13 . 1 1 21 21 GLU H H 679 8.687 8.687 8.603 0.084 18183 7630 1 13 . 1 1 22 22 ARG N N 680 125.764 125.764 122.675 3.089 18183 7631 1 13 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.980 -0.700 18183 7632 1 13 . 1 1 22 22 ARG C C 680 177.559 177.559 178.230 -0.671 18183 7633 1 13 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.137 0.917 18183 7634 1 13 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.055 -0.187 18183 7635 1 13 . 1 1 22 22 ARG H H 680 9.191 9.191 8.856 0.335 18183 7636 1 13 . 1 1 23 23 GLN N N 681 118.109 118.109 118.683 -0.574 18183 7637 1 13 . 1 1 23 23 GLN HA H 681 3.993 3.993 3.972 0.021 18183 7638 1 13 . 1 1 23 23 GLN C C 681 178.252 178.252 178.263 -0.011 18183 7639 1 13 . 1 1 23 23 GLN CA C 681 59.599 59.599 60.016 -0.417 18183 7640 1 13 . 1 1 23 23 GLN CB C 681 27.765 27.765 28.048 -0.283 18183 7641 1 13 . 1 1 23 23 GLN H H 681 9.085 9.085 8.694 0.391 18183 7642 1 13 . 1 1 24 24 GLN N N 682 118.128 118.128 117.920 0.208 18183 7643 1 13 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.115 -0.064 18183 7644 1 13 . 1 1 24 24 GLN C C 682 178.328 178.328 178.709 -0.381 18183 7645 1 13 . 1 1 24 24 GLN CA C 682 58.765 58.765 58.845 -0.080 18183 7646 1 13 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.580 -0.348 18183 7647 1 13 . 1 1 24 24 GLN H H 682 7.287 7.287 7.974 -0.687 18183 7648 1 13 . 1 1 25 25 THR N N 683 116.436 116.436 116.742 -0.306 18183 7649 1 13 . 1 1 25 25 THR HA H 683 3.641 3.641 3.917 -0.276 18183 7650 1 13 . 1 1 25 25 THR CA C 683 67.504 67.504 66.901 0.603 18183 7651 1 13 . 1 1 25 25 THR CB C 683 67.667 67.667 68.321 -0.654 18183 7652 1 13 . 1 1 25 25 THR H H 683 7.813 7.813 8.132 -0.319 18183 7653 1 13 . 1 1 26 26 ASP N N 684 123.084 123.084 121.635 1.449 18183 7654 1 13 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.402 -0.174 18183 7655 1 13 . 1 1 26 26 ASP C C 684 178.426 178.426 178.416 0.010 18183 7656 1 13 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.766 0.254 18183 7657 1 13 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.102 -1.276 18183 7658 1 13 . 1 1 26 26 ASP H H 684 8.384 8.384 8.536 -0.152 18183 7659 1 13 . 1 1 27 27 ASN N N 685 116.068 116.068 117.716 -1.648 18183 7660 1 13 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.523 -0.204 18183 7661 1 13 . 1 1 27 27 ASN C C 685 177.207 177.207 177.798 -0.591 18183 7662 1 13 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.256 0.491 18183 7663 1 13 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.191 0.007 18183 7664 1 13 . 1 1 27 27 ASN H H 685 7.667 7.667 7.923 -0.256 18183 7665 1 13 . 1 1 28 28 LEU N N 686 120.906 120.906 120.118 0.788 18183 7666 1 13 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.242 -0.073 18183 7667 1 13 . 1 1 28 28 LEU C C 686 179.394 179.394 178.429 0.965 18183 7668 1 13 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.954 -0.133 18183 7669 1 13 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.914 0.778 18183 7670 1 13 . 1 1 28 28 LEU H H 686 7.993 7.993 7.785 0.208 18183 7671 1 13 . 1 1 29 29 LEU N N 687 114.941 114.941 116.041 -1.100 18183 7672 1 13 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.809 -0.758 18183 7673 1 13 . 1 1 29 29 LEU C C 687 178.742 178.742 177.456 1.286 18183 7674 1 13 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.087 2.350 18183 7675 1 13 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.086 1.756 18183 7676 1 13 . 1 1 29 29 LEU H H 687 8.166 8.166 7.710 0.456 18183 7677 1 13 . 1 1 30 30 LYS N N 688 118.446 118.446 120.709 -2.263 18183 7678 1 13 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.126 -0.413 18183 7679 1 13 . 1 1 30 30 LYS C C 688 177.260 177.260 177.400 -0.140 18183 7680 1 13 . 1 1 30 30 LYS CA C 688 60.478 60.478 59.241 1.237 18183 7681 1 13 . 1 1 30 30 LYS CB C 688 32.084 32.084 31.934 0.150 18183 7682 1 13 . 1 1 30 30 LYS H H 688 7.635 7.635 7.648 -0.013 18183 7683 1 13 . 1 1 31 31 SER N N 689 111.039 111.039 113.398 -2.359 18183 7684 1 13 . 1 1 31 31 SER HA H 689 4.417 4.417 4.684 -0.267 18183 7685 1 13 . 1 1 31 31 SER C C 689 174.495 174.495 173.473 1.022 18183 7686 1 13 . 1 1 31 31 SER CA C 689 58.387 58.387 57.272 1.115 18183 7687 1 13 . 1 1 31 31 SER CB C 689 63.281 63.281 63.423 -0.142 18183 7688 1 13 . 1 1 31 31 SER H H 689 7.709 7.709 8.157 -0.448 18183 7689 1 13 . 1 1 32 32 HIS N N 690 120.253 120.253 120.890 -0.637 18183 7690 1 13 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.819 -0.243 18183 7691 1 13 . 1 1 32 32 HIS C C 690 173.913 173.913 173.913 0.000 18183 7692 1 13 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.215 -0.139 18183 7693 1 13 . 1 1 32 32 HIS CB C 690 31.853 31.853 32.455 -0.601 18183 7694 1 13 . 1 1 32 32 HIS H H 690 7.647 7.647 7.444 0.203 18183 7695 1 13 . 1 1 33 33 ALA N N 691 120.403 120.403 123.143 -2.740 18183 7696 1 13 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.653 -0.375 18183 7697 1 13 . 1 1 33 33 ALA C C 691 179.503 179.503 176.972 2.531 18183 7698 1 13 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.287 0.431 18183 7699 1 13 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.693 -0.424 18183 7700 1 13 . 1 1 33 33 ALA H H 691 8.452 8.452 8.880 -0.428 18183 7701 1 13 . 1 1 34 34 SER N N 692 117.464 117.464 116.671 0.793 18183 7702 1 13 . 1 1 34 34 SER HA H 692 4.047 4.047 4.413 -0.366 18183 7703 1 13 . 1 1 34 34 SER C C 692 175.307 175.307 175.479 -0.172 18183 7704 1 13 . 1 1 34 34 SER CA C 692 60.434 60.434 60.018 0.416 18183 7705 1 13 . 1 1 34 34 SER CB C 692 63.132 63.132 62.828 0.304 18183 7706 1 13 . 1 1 34 34 SER H H 692 9.002 9.002 8.680 0.322 18183 7707 1 13 . 1 1 35 35 GLY N N 693 113.364 113.364 113.865 -0.501 18183 7708 1 13 . 1 1 35 35 GLY C C 693 174.739 174.739 174.470 0.269 18183 7709 1 13 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.013 -0.163 18183 7710 1 13 . 1 1 35 35 GLY H H 693 9.873 9.873 8.848 1.025 18183 7711 1 13 . 1 1 36 36 THR N N 694 120.932 120.932 121.161 -0.229 18183 7712 1 13 . 1 1 36 36 THR HA H 694 5.923 5.923 5.212 0.711 18183 7713 1 13 . 1 1 36 36 THR C C 694 173.253 173.253 173.759 -0.506 18183 7714 1 13 . 1 1 36 36 THR CA C 694 63.429 63.429 63.390 0.039 18183 7715 1 13 . 1 1 36 36 THR CB C 694 68.091 68.091 68.559 -0.468 18183 7716 1 13 . 1 1 36 36 THR H H 694 8.240 8.240 7.593 0.647 18183 7717 1 13 . 1 1 37 37 TYR N N 695 123.567 123.567 124.460 -0.893 18183 7718 1 13 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.325 0.651 18183 7719 1 13 . 1 1 37 37 TYR C C 695 171.737 171.737 173.101 -1.364 18183 7720 1 13 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.897 0.338 18183 7721 1 13 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.468 2.821 18183 7722 1 13 . 1 1 37 37 TYR H H 695 8.765 8.765 8.326 0.439 18183 7723 1 13 . 1 1 38 38 LEU N N 696 115.294 115.294 116.642 -1.348 18183 7724 1 13 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.290 -0.187 18183 7725 1 13 . 1 1 38 38 LEU C C 696 174.368 174.368 174.591 -0.223 18183 7726 1 13 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.165 -0.333 18183 7727 1 13 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.939 0.355 18183 7728 1 13 . 1 1 38 38 LEU H H 696 9.008 9.008 8.996 0.012 18183 7729 1 13 . 1 1 39 39 ILE N N 697 122.087 122.087 120.075 2.012 18183 7730 1 13 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.508 0.785 18183 7731 1 13 . 1 1 39 39 ILE C C 697 173.625 173.625 174.693 -1.068 18183 7732 1 13 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.271 -0.465 18183 7733 1 13 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.858 -2.091 18183 7734 1 13 . 1 1 39 39 ILE H H 697 9.276 9.276 8.220 1.056 18183 7735 1 13 . 1 1 40 40 ARG N N 698 123.307 123.307 121.796 1.511 18183 7736 1 13 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.518 0.626 18183 7737 1 13 . 1 1 40 40 ARG C C 698 173.789 173.789 174.445 -0.656 18183 7738 1 13 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.644 -1.472 18183 7739 1 13 . 1 1 40 40 ARG CB C 698 33.426 33.426 34.317 -0.891 18183 7740 1 13 . 1 1 40 40 ARG H H 698 9.032 9.032 8.801 0.231 18183 7741 1 13 . 1 1 41 41 GLU N N 699 122.502 122.502 119.774 2.728 18183 7742 1 13 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.800 0.191 18183 7743 1 13 . 1 1 41 41 GLU C C 699 175.788 175.788 174.950 0.838 18183 7744 1 13 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.704 -0.865 18183 7745 1 13 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.310 -0.387 18183 7746 1 13 . 1 1 41 41 GLU H H 699 8.453 8.453 8.161 0.292 18183 7747 1 13 . 1 1 42 42 ARG N N 700 125.039 125.039 123.109 1.930 18183 7748 1 13 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.843 -0.189 18183 7749 1 13 . 1 1 42 42 ARG H H 700 8.844 8.844 7.934 0.910 18183 7750 1 13 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.457 -0.242 18183 7751 1 13 . 1 1 43 43 PRO C C 701 176.485 176.485 175.931 0.554 18183 7752 1 13 . 1 1 43 43 PRO CA C 701 64.030 64.030 62.312 1.718 18183 7753 1 13 . 1 1 43 43 PRO CB C 701 31.450 31.450 32.347 -0.897 18183 7754 1 13 . 1 1 44 44 ALA N N 702 120.718 120.718 121.123 -0.405 18183 7755 1 13 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.212 0.031 18183 7756 1 13 . 1 1 44 44 ALA C C 702 176.924 176.924 177.426 -0.502 18183 7757 1 13 . 1 1 44 44 ALA CA C 702 52.068 52.068 53.190 -1.122 18183 7758 1 13 . 1 1 44 44 ALA CB C 702 19.427 19.427 18.730 0.697 18183 7759 1 13 . 1 1 44 44 ALA H H 702 8.217 8.217 8.163 0.054 18183 7760 1 13 . 1 1 45 45 GLU N N 703 118.107 118.107 122.305 -4.198 18183 7761 1 13 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.278 0.027 18183 7762 1 13 . 1 1 45 45 GLU C C 703 176.308 176.308 175.909 0.399 18183 7763 1 13 . 1 1 45 45 GLU H H 703 7.638 7.638 8.674 -1.036 18183 7764 1 13 . 1 1 46 46 ALA N N 704 122.161 122.161 122.615 -0.454 18183 7765 1 13 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.400 -0.265 18183 7766 1 13 . 1 1 46 46 ALA C C 704 178.439 178.439 176.754 1.685 18183 7767 1 13 . 1 1 46 46 ALA H H 704 8.596 8.596 8.388 0.208 18183 7768 1 13 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.502 0.144 18183 7769 1 13 . 1 1 47 47 GLU C C 705 175.340 175.340 176.137 -0.797 18183 7770 1 13 . 1 1 47 47 GLU H H 705 7.642 7.642 8.127 -0.485 18183 7771 1 13 . 1 1 48 48 ARG N N 706 122.871 122.871 123.871 -1.000 18183 7772 1 13 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.222 0.418 18183 7773 1 13 . 1 1 48 48 ARG C C 706 175.645 175.645 175.631 0.014 18183 7774 1 13 . 1 1 48 48 ARG H H 706 8.163 8.163 8.507 -0.344 18183 7775 1 13 . 1 1 49 49 PHE N N 707 113.719 113.719 113.698 0.021 18183 7776 1 13 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.782 1.002 18183 7777 1 13 . 1 1 49 49 PHE C C 707 174.536 174.536 174.020 0.516 18183 7778 1 13 . 1 1 49 49 PHE H H 707 8.370 8.370 7.482 0.888 18183 7779 1 13 . 1 1 50 50 ALA N N 708 119.650 119.650 121.563 -1.913 18183 7780 1 13 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.046 0.074 18183 7781 1 13 . 1 1 50 50 ALA C C 708 175.964 175.964 175.175 0.789 18183 7782 1 13 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.542 0.471 18183 7783 1 13 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.740 -0.860 18183 7784 1 13 . 1 1 50 50 ALA H H 708 8.868 8.868 8.413 0.455 18183 7785 1 13 . 1 1 51 51 ILE N N 709 121.077 121.077 120.015 1.062 18183 7786 1 13 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.513 0.134 18183 7787 1 13 . 1 1 51 51 ILE C C 709 175.049 175.049 174.743 0.306 18183 7788 1 13 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.143 0.356 18183 7789 1 13 . 1 1 51 51 ILE CB C 709 39.996 39.996 41.998 -2.002 18183 7790 1 13 . 1 1 51 51 ILE H H 709 9.130 9.130 8.656 0.474 18183 7791 1 13 . 1 1 52 52 SER N N 710 125.122 125.122 119.086 6.036 18183 7792 1 13 . 1 1 52 52 SER HA H 710 5.454 5.454 5.161 0.293 18183 7793 1 13 . 1 1 52 52 SER C C 710 172.024 172.024 172.353 -0.329 18183 7794 1 13 . 1 1 52 52 SER CA C 710 57.614 57.614 57.039 0.575 18183 7795 1 13 . 1 1 52 52 SER CB C 710 64.989 64.989 65.314 -0.325 18183 7796 1 13 . 1 1 52 52 SER H H 710 9.204 9.204 8.898 0.306 18183 7797 1 13 . 1 1 53 53 ILE N N 711 121.512 121.512 124.625 -3.113 18183 7798 1 13 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.818 0.321 18183 7799 1 13 . 1 1 53 53 ILE C C 711 173.093 173.093 172.937 0.156 18183 7800 1 13 . 1 1 53 53 ILE CA C 711 57.633 57.633 58.992 -1.359 18183 7801 1 13 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.302 -0.479 18183 7802 1 13 . 1 1 53 53 ILE H H 711 8.825 8.825 8.785 0.040 18183 7803 1 13 . 1 1 54 54 LYS N N 712 128.814 128.814 124.597 4.217 18183 7804 1 13 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.062 -0.307 18183 7805 1 13 . 1 1 54 54 LYS C C 712 174.850 174.850 174.732 0.118 18183 7806 1 13 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.551 -0.306 18183 7807 1 13 . 1 1 54 54 LYS CB C 712 33.334 33.334 34.063 -0.729 18183 7808 1 13 . 1 1 54 54 LYS H H 712 8.863 8.863 8.636 0.227 18183 7809 1 13 . 1 1 55 55 PHE N N 713 130.119 130.119 126.046 4.073 18183 7810 1 13 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.798 0.070 18183 7811 1 13 . 1 1 55 55 PHE C C 713 174.223 174.223 174.047 0.176 18183 7812 1 13 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.143 1.006 18183 7813 1 13 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.619 -2.017 18183 7814 1 13 . 1 1 55 55 PHE H H 713 9.373 9.373 9.100 0.273 18183 7815 1 13 . 1 1 56 56 ASN N N 714 125.766 125.766 124.960 0.806 18183 7816 1 13 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.259 -0.361 18183 7817 1 13 . 1 1 56 56 ASN C C 714 173.945 173.945 174.488 -0.543 18183 7818 1 13 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.441 0.565 18183 7819 1 13 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.727 -1.765 18183 7820 1 13 . 1 1 56 56 ASN H H 714 8.364 8.364 8.594 -0.230 18183 7821 1 13 . 1 1 57 57 ASP N N 715 117.708 117.708 113.925 3.783 18183 7822 1 13 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.300 0.251 18183 7823 1 13 . 1 1 57 57 ASP C C 715 174.766 174.766 174.551 0.215 18183 7824 1 13 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.948 -0.903 18183 7825 1 13 . 1 1 57 57 ASP CB C 715 40.577 40.577 39.776 0.801 18183 7826 1 13 . 1 1 57 57 ASP H H 715 8.536 8.536 8.629 -0.093 18183 7827 1 13 . 1 1 58 58 GLU N N 716 118.715 118.715 116.911 1.804 18183 7828 1 13 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.622 0.043 18183 7829 1 13 . 1 1 58 58 GLU C C 716 173.786 173.786 174.890 -1.104 18183 7830 1 13 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.169 -0.227 18183 7831 1 13 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.146 0.017 18183 7832 1 13 . 1 1 58 58 GLU H H 716 7.873 7.873 7.648 0.225 18183 7833 1 13 . 1 1 59 59 VAL N N 717 120.798 120.798 125.065 -4.267 18183 7834 1 13 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.368 0.005 18183 7835 1 13 . 1 1 59 59 VAL C C 717 175.325 175.325 176.016 -0.691 18183 7836 1 13 . 1 1 59 59 VAL CA C 717 61.939 61.939 62.206 -0.267 18183 7837 1 13 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.745 0.271 18183 7838 1 13 . 1 1 59 59 VAL H H 717 8.473 8.473 8.622 -0.149 18183 7839 1 13 . 1 1 60 60 LYS N N 718 127.136 127.136 127.645 -0.509 18183 7840 1 13 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.515 -0.084 18183 7841 1 13 . 1 1 60 60 LYS C C 718 174.439 174.439 174.855 -0.416 18183 7842 1 13 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.542 -1.733 18183 7843 1 13 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.067 -0.962 18183 7844 1 13 . 1 1 60 60 LYS H H 718 8.903 8.903 8.681 0.222 18183 7845 1 13 . 1 1 61 61 HIS N N 719 119.956 119.956 120.708 -0.752 18183 7846 1 13 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.107 0.116 18183 7847 1 13 . 1 1 61 61 HIS C C 719 175.173 175.173 174.715 0.458 18183 7848 1 13 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.090 0.070 18183 7849 1 13 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.550 2.332 18183 7850 1 13 . 1 1 61 61 HIS H H 719 8.422 8.422 8.471 -0.049 18183 7851 1 13 . 1 1 62 62 ILE N N 720 126.629 126.629 124.976 1.653 18183 7852 1 13 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.207 -0.071 18183 7853 1 13 . 1 1 62 62 ILE C C 720 175.372 175.372 175.235 0.137 18183 7854 1 13 . 1 1 62 62 ILE CA C 720 59.976 59.976 60.986 -1.010 18183 7855 1 13 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.373 1.655 18183 7856 1 13 . 1 1 62 62 ILE H H 720 9.646 9.646 8.540 1.106 18183 7857 1 13 . 1 1 63 63 LYS N N 721 127.276 127.276 124.960 2.316 18183 7858 1 13 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.571 -0.344 18183 7859 1 13 . 1 1 63 63 LYS C C 721 174.877 174.877 175.465 -0.588 18183 7860 1 13 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.755 1.785 18183 7861 1 13 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.417 -0.368 18183 7862 1 13 . 1 1 63 63 LYS H H 721 8.741 8.741 8.391 0.350 18183 7863 1 13 . 1 1 64 64 VAL N N 722 123.343 123.343 122.987 0.356 18183 7864 1 13 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.341 -0.168 18183 7865 1 13 . 1 1 64 64 VAL C C 722 174.522 174.522 174.719 -0.197 18183 7866 1 13 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.398 0.097 18183 7867 1 13 . 1 1 64 64 VAL CB C 722 30.392 30.392 34.051 -3.659 18183 7868 1 13 . 1 1 64 64 VAL H H 722 8.166 8.166 7.946 0.220 18183 7869 1 13 . 1 1 65 65 VAL N N 723 127.934 127.934 126.685 1.249 18183 7870 1 13 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.433 -0.287 18183 7871 1 13 . 1 1 65 65 VAL C C 723 174.212 174.212 174.569 -0.357 18183 7872 1 13 . 1 1 65 65 VAL CA C 723 61.751 61.751 61.092 0.659 18183 7873 1 13 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.197 0.082 18183 7874 1 13 . 1 1 65 65 VAL H H 723 8.469 8.469 8.174 0.295 18183 7875 1 13 . 1 1 66 66 GLU N N 724 125.632 125.632 130.129 -4.497 18183 7876 1 13 . 1 1 66 66 GLU HA H 724 5.156 5.156 4.874 0.282 18183 7877 1 13 . 1 1 66 66 GLU C C 724 175.573 175.573 175.194 0.379 18183 7878 1 13 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.498 -0.942 18183 7879 1 13 . 1 1 66 66 GLU CB C 724 32.441 32.441 30.640 1.801 18183 7880 1 13 . 1 1 66 66 GLU H H 724 8.518 8.518 8.799 -0.281 18183 7881 1 13 . 1 1 67 67 LYS N N 725 125.857 125.857 124.762 1.095 18183 7882 1 13 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.482 -0.030 18183 7883 1 13 . 1 1 67 67 LYS C C 725 175.624 175.624 175.002 0.622 18183 7884 1 13 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.163 0.091 18183 7885 1 13 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.275 -0.234 18183 7886 1 13 . 1 1 67 67 LYS H H 725 8.671 8.671 8.537 0.134 18183 7887 1 13 . 1 1 68 68 ASP N N 726 127.302 127.302 120.065 7.237 18183 7888 1 13 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.404 -0.213 18183 7889 1 13 . 1 1 68 68 ASP C C 726 174.291 174.291 175.416 -1.125 18183 7890 1 13 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.532 0.490 18183 7891 1 13 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.619 -0.228 18183 7892 1 13 . 1 1 68 68 ASP H H 726 9.485 9.485 9.076 0.409 18183 7893 1 13 . 1 1 69 69 ASN N N 727 110.250 110.250 112.691 -2.441 18183 7894 1 13 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.395 -0.172 18183 7895 1 13 . 1 1 69 69 ASN C C 727 173.825 173.825 173.473 0.352 18183 7896 1 13 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.963 -0.291 18183 7897 1 13 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.291 -0.947 18183 7898 1 13 . 1 1 69 69 ASN H H 727 8.344 8.344 8.743 -0.399 18183 7899 1 13 . 1 1 70 70 TRP N N 728 119.098 119.098 115.433 3.665 18183 7900 1 13 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.061 0.255 18183 7901 1 13 . 1 1 70 70 TRP C C 728 174.989 174.989 174.257 0.732 18183 7902 1 13 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.449 0.263 18183 7903 1 13 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.742 0.600 18183 7904 1 13 . 1 1 70 70 TRP H H 728 8.050 8.050 7.709 0.341 18183 7905 1 13 . 1 1 71 71 ILE N N 729 121.706 121.706 120.893 0.813 18183 7906 1 13 . 1 1 71 71 ILE HA H 729 5.512 5.512 4.583 0.929 18183 7907 1 13 . 1 1 71 71 ILE C C 729 175.265 175.265 173.753 1.512 18183 7908 1 13 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.461 -0.667 18183 7909 1 13 . 1 1 71 71 ILE CB C 729 41.091 41.091 40.845 0.246 18183 7910 1 13 . 1 1 71 71 ILE H H 729 9.298 9.298 9.373 -0.075 18183 7911 1 13 . 1 1 72 72 HIS N N 730 121.063 121.063 123.093 -2.030 18183 7912 1 13 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.179 -0.028 18183 7913 1 13 . 1 1 72 72 HIS C C 730 173.774 173.774 174.404 -0.630 18183 7914 1 13 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.528 0.992 18183 7915 1 13 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.947 0.562 18183 7916 1 13 . 1 1 72 72 HIS H H 730 9.024 9.024 7.846 1.178 18183 7917 1 13 . 1 1 73 73 ILE N N 731 112.363 112.363 114.838 -2.475 18183 7918 1 13 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.605 0.291 18183 7919 1 13 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.556 -0.255 18183 7920 1 13 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.681 0.706 18183 7921 1 13 . 1 1 73 73 ILE H H 731 9.425 9.425 8.976 0.449 18183 7922 1 13 . 1 1 74 74 THR N N 732 117.292 117.292 113.121 4.171 18183 7923 1 13 . 1 1 74 74 THR HA H 732 4.679 4.679 4.508 0.171 18183 7924 1 13 . 1 1 74 74 THR C C 732 173.467 173.467 173.080 0.387 18183 7925 1 13 . 1 1 74 74 THR CA C 732 59.795 59.795 60.260 -0.465 18183 7926 1 13 . 1 1 74 74 THR CB C 732 69.896 69.896 71.193 -1.297 18183 7927 1 13 . 1 1 74 74 THR H H 732 8.421 8.421 7.768 0.653 18183 7928 1 13 . 1 1 75 75 GLU N N 733 123.689 123.689 120.851 2.838 18183 7929 1 13 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.200 -1.226 18183 7930 1 13 . 1 1 75 75 GLU C C 733 175.819 175.819 175.787 0.032 18183 7931 1 13 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.690 2.208 18183 7932 1 13 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.566 -0.575 18183 7933 1 13 . 1 1 75 75 GLU H H 733 8.615 8.615 8.694 -0.079 18183 7934 1 13 . 1 1 76 76 ALA N N 734 117.705 117.705 122.371 -4.666 18183 7935 1 13 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.268 -0.356 18183 7936 1 13 . 1 1 76 76 ALA C C 734 177.024 177.024 177.090 -0.066 18183 7937 1 13 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.517 0.745 18183 7938 1 13 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.774 0.023 18183 7939 1 13 . 1 1 76 76 ALA H H 734 7.654 7.654 7.960 -0.306 18183 7940 1 13 . 1 1 77 77 LYS N N 735 119.239 119.239 120.193 -0.954 18183 7941 1 13 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.158 -0.067 18183 7942 1 13 . 1 1 77 77 LYS C C 735 172.048 172.048 174.239 -2.191 18183 7943 1 13 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.296 -0.923 18183 7944 1 13 . 1 1 77 77 LYS CB C 735 33.343 33.343 33.835 -0.492 18183 7945 1 13 . 1 1 77 77 LYS H H 735 7.214 7.214 7.727 -0.513 18183 7946 1 13 . 1 1 78 78 LYS N N 736 123.194 123.194 122.784 0.410 18183 7947 1 13 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.515 0.222 18183 7948 1 13 . 1 1 78 78 LYS C C 736 174.901 174.901 175.385 -0.484 18183 7949 1 13 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.338 -0.635 18183 7950 1 13 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.208 1.885 18183 7951 1 13 . 1 1 78 78 LYS H H 736 7.850 7.850 7.810 0.040 18183 7952 1 13 . 1 1 79 79 PHE N N 737 117.645 117.645 122.874 -5.229 18183 7953 1 13 . 1 1 79 79 PHE HA H 737 4.926 4.926 5.074 -0.148 18183 7954 1 13 . 1 1 79 79 PHE C C 737 175.500 175.500 175.619 -0.119 18183 7955 1 13 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.392 -0.479 18183 7956 1 13 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.490 0.978 18183 7957 1 13 . 1 1 79 79 PHE H H 737 9.079 9.079 8.803 0.276 18183 7958 1 13 . 1 1 80 80 ASP N N 738 119.264 119.264 122.805 -3.541 18183 7959 1 13 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.992 0.725 18183 7960 1 13 . 1 1 80 80 ASP C C 738 176.014 176.014 176.469 -0.455 18183 7961 1 13 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.224 -0.579 18183 7962 1 13 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.383 0.337 18183 7963 1 13 . 1 1 80 80 ASP H H 738 9.332 9.332 8.914 0.418 18183 7964 1 13 . 1 1 81 81 SER N N 739 108.541 108.541 113.343 -4.802 18183 7965 1 13 . 1 1 81 81 SER HA H 739 4.649 4.649 4.682 -0.033 18183 7966 1 13 . 1 1 81 81 SER C C 739 173.719 173.719 174.386 -0.667 18183 7967 1 13 . 1 1 81 81 SER CA C 739 57.148 57.148 56.847 0.301 18183 7968 1 13 . 1 1 81 81 SER CB C 739 66.475 66.475 65.552 0.923 18183 7969 1 13 . 1 1 81 81 SER H H 739 7.379 7.379 8.068 -0.689 18183 7970 1 13 . 1 1 82 82 LEU N N 740 122.926 122.926 125.199 -2.273 18183 7971 1 13 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.863 -0.107 18183 7972 1 13 . 1 1 82 82 LEU C C 740 177.267 177.267 177.692 -0.425 18183 7973 1 13 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.877 -0.043 18183 7974 1 13 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.416 -0.833 18183 7975 1 13 . 1 1 82 82 LEU H H 740 8.939 8.939 8.610 0.329 18183 7976 1 13 . 1 1 83 83 LEU N N 741 116.722 116.722 118.782 -2.060 18183 7977 1 13 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.942 -0.167 18183 7978 1 13 . 1 1 83 83 LEU C C 741 177.528 177.528 178.758 -1.230 18183 7979 1 13 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.303 -0.164 18183 7980 1 13 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.201 0.476 18183 7981 1 13 . 1 1 83 83 LEU H H 741 7.814 7.814 7.599 0.215 18183 7982 1 13 . 1 1 84 84 GLU N N 742 116.747 116.747 118.965 -2.218 18183 7983 1 13 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.893 -0.026 18183 7984 1 13 . 1 1 84 84 GLU C C 742 178.282 178.282 178.794 -0.512 18183 7985 1 13 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.712 -0.573 18183 7986 1 13 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.223 1.210 18183 7987 1 13 . 1 1 84 84 GLU H H 742 7.541 7.541 7.991 -0.450 18183 7988 1 13 . 1 1 85 85 LEU N N 743 122.157 122.157 120.544 1.613 18183 7989 1 13 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.629 -0.666 18183 7990 1 13 . 1 1 85 85 LEU C C 743 177.315 177.315 178.055 -0.740 18183 7991 1 13 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.874 0.864 18183 7992 1 13 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.983 -0.269 18183 7993 1 13 . 1 1 85 85 LEU H H 743 7.076 7.076 7.042 0.034 18183 7994 1 13 . 1 1 86 86 VAL N N 744 119.754 119.754 118.770 0.984 18183 7995 1 13 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.496 -0.706 18183 7996 1 13 . 1 1 86 86 VAL C C 744 177.621 177.621 178.097 -0.476 18183 7997 1 13 . 1 1 86 86 VAL CA C 744 66.844 66.844 67.036 -0.192 18183 7998 1 13 . 1 1 86 86 VAL CB C 744 30.965 30.965 31.550 -0.585 18183 7999 1 13 . 1 1 86 86 VAL H H 744 8.116 8.116 7.674 0.442 18183 8000 1 13 . 1 1 87 87 GLU N N 745 116.169 116.169 119.808 -3.639 18183 8001 1 13 . 1 1 87 87 GLU HA H 745 3.715 3.715 4.148 -0.433 18183 8002 1 13 . 1 1 87 87 GLU C C 745 179.560 179.560 179.216 0.344 18183 8003 1 13 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.579 -0.257 18183 8004 1 13 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.430 -0.344 18183 8005 1 13 . 1 1 87 87 GLU H H 745 8.168 8.168 8.826 -0.658 18183 8006 1 13 . 1 1 88 88 TYR N N 746 120.022 120.022 120.274 -0.252 18183 8007 1 13 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.085 0.008 18183 8008 1 13 . 1 1 88 88 TYR C C 746 180.010 180.010 177.910 2.100 18183 8009 1 13 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.836 0.758 18183 8010 1 13 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.507 0.321 18183 8011 1 13 . 1 1 88 88 TYR H H 746 7.774 7.774 7.681 0.093 18183 8012 1 13 . 1 1 89 89 TYR N N 747 118.480 118.480 118.076 0.404 18183 8013 1 13 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.635 0.420 18183 8014 1 13 . 1 1 89 89 TYR C C 747 175.796 175.796 178.702 -2.906 18183 8015 1 13 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.045 0.092 18183 8016 1 13 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.657 -0.727 18183 8017 1 13 . 1 1 89 89 TYR H H 747 7.782 7.782 7.760 0.022 18183 8018 1 13 . 1 1 90 90 GLN N N 748 118.696 118.696 118.788 -0.092 18183 8019 1 13 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.798 0.591 18183 8020 1 13 . 1 1 90 90 GLN C C 748 177.777 177.777 177.453 0.324 18183 8021 1 13 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.176 -1.459 18183 8022 1 13 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.593 -0.073 18183 8023 1 13 . 1 1 90 90 GLN H H 748 7.838 7.838 8.130 -0.292 18183 8024 1 13 . 1 1 91 91 CYS N N 749 111.118 111.118 113.342 -2.224 18183 8025 1 13 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.338 0.264 18183 8026 1 13 . 1 1 91 91 CYS C C 749 172.887 172.887 174.619 -1.732 18183 8027 1 13 . 1 1 91 91 CYS CA C 749 57.434 57.434 59.619 -2.185 18183 8028 1 13 . 1 1 91 91 CYS CB C 749 29.266 29.266 29.819 -0.553 18183 8029 1 13 . 1 1 91 91 CYS H H 749 7.145 7.145 7.430 -0.285 18183 8030 1 13 . 1 1 92 92 HIS N N 750 120.227 120.227 120.582 -0.355 18183 8031 1 13 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.747 -0.415 18183 8032 1 13 . 1 1 92 92 HIS C C 750 171.842 171.842 174.536 -2.694 18183 8033 1 13 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.774 0.303 18183 8034 1 13 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.765 -2.389 18183 8035 1 13 . 1 1 92 92 HIS H H 750 7.470 7.470 8.380 -0.910 18183 8036 1 13 . 1 1 93 93 SER N N 751 113.120 113.120 120.093 -6.973 18183 8037 1 13 . 1 1 93 93 SER HA H 751 3.782 3.782 4.343 -0.561 18183 8038 1 13 . 1 1 93 93 SER C C 751 176.653 176.653 175.224 1.429 18183 8039 1 13 . 1 1 93 93 SER CA C 751 57.812 57.812 58.743 -0.931 18183 8040 1 13 . 1 1 93 93 SER CB C 751 62.783 62.783 64.039 -1.256 18183 8041 1 13 . 1 1 93 93 SER H H 751 8.404 8.404 8.705 -0.301 18183 8042 1 13 . 1 1 94 94 LEU N N 752 127.293 127.293 121.428 5.865 18183 8043 1 13 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.531 -0.462 18183 8044 1 13 . 1 1 94 94 LEU C C 752 177.524 177.524 177.276 0.248 18183 8045 1 13 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.792 1.604 18183 8046 1 13 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.371 1.116 18183 8047 1 13 . 1 1 94 94 LEU H H 752 8.553 8.553 8.704 -0.151 18183 8048 1 13 . 1 1 95 95 LYS N N 753 122.249 122.249 118.281 3.968 18183 8049 1 13 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.353 -0.025 18183 8050 1 13 . 1 1 95 95 LYS C C 753 176.426 176.426 177.810 -1.384 18183 8051 1 13 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.121 -0.567 18183 8052 1 13 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.644 0.530 18183 8053 1 13 . 1 1 95 95 LYS H H 753 8.303 8.303 8.197 0.106 18183 8054 1 13 . 1 1 96 96 GLU N N 754 115.401 115.401 118.924 -3.523 18183 8055 1 13 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.049 0.036 18183 8056 1 13 . 1 1 96 96 GLU C C 754 176.838 176.838 177.729 -0.891 18183 8057 1 13 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.678 -0.581 18183 8058 1 13 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.457 0.043 18183 8059 1 13 . 1 1 96 96 GLU H H 754 7.188 7.188 8.138 -0.950 18183 8060 1 13 . 1 1 97 97 SER N N 755 113.852 113.852 112.708 1.144 18183 8061 1 13 . 1 1 97 97 SER HA H 755 4.402 4.402 4.370 0.032 18183 8062 1 13 . 1 1 97 97 SER C C 755 172.067 172.067 174.131 -2.064 18183 8063 1 13 . 1 1 97 97 SER CA C 755 59.448 59.448 59.633 -0.184 18183 8064 1 13 . 1 1 97 97 SER CB C 755 65.680 65.680 64.689 0.991 18183 8065 1 13 . 1 1 97 97 SER H H 755 7.838 7.838 7.753 0.085 18183 8066 1 13 . 1 1 98 98 PHE N N 756 121.742 121.742 121.580 0.162 18183 8067 1 13 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.734 -0.164 18183 8068 1 13 . 1 1 98 98 PHE C C 756 174.941 174.941 175.656 -0.715 18183 8069 1 13 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.791 -0.043 18183 8070 1 13 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.379 -0.098 18183 8071 1 13 . 1 1 98 98 PHE H H 756 8.223 8.223 8.446 -0.223 18183 8072 1 13 . 1 1 99 99 LYS N N 757 122.713 122.713 125.155 -2.442 18183 8073 1 13 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.014 0.057 18183 8074 1 13 . 1 1 99 99 LYS C C 757 176.793 176.793 176.949 -0.156 18183 8075 1 13 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.823 0.334 18183 8076 1 13 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.050 0.283 18183 8077 1 13 . 1 1 99 99 LYS H H 757 8.388 8.388 8.655 -0.267 18183 8078 1 13 . 1 1 100 100 GLN N N 758 114.972 114.972 117.681 -2.709 18183 8079 1 13 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.315 -0.154 18183 8080 1 13 . 1 1 100 100 GLN C C 758 175.591 175.591 176.083 -0.492 18183 8081 1 13 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.678 -0.209 18183 8082 1 13 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.812 -0.825 18183 8083 1 13 . 1 1 100 100 GLN H H 758 8.662 8.662 8.157 0.505 18183 8084 1 13 . 1 1 101 101 LEU N N 759 124.472 124.472 121.728 2.744 18183 8085 1 13 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.412 -0.733 18183 8086 1 13 . 1 1 101 101 LEU C C 759 173.228 173.228 174.888 -1.660 18183 8087 1 13 . 1 1 101 101 LEU CA C 759 52.325 52.325 53.653 -1.328 18183 8088 1 13 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.054 -0.542 18183 8089 1 13 . 1 1 101 101 LEU H H 759 7.884 7.884 7.516 0.368 18183 8090 1 13 . 1 1 102 102 ASP N N 760 119.321 119.321 122.893 -3.572 18183 8091 1 13 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.671 -0.186 18183 8092 1 13 . 1 1 102 102 ASP C C 760 173.467 173.467 175.145 -1.678 18183 8093 1 13 . 1 1 102 102 ASP CA C 760 52.125 52.125 52.581 -0.456 18183 8094 1 13 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.069 -1.041 18183 8095 1 13 . 1 1 102 102 ASP H H 760 6.594 6.594 8.006 -1.412 18183 8096 1 13 . 1 1 103 103 THR N N 761 117.213 117.213 115.184 2.029 18183 8097 1 13 . 1 1 103 103 THR HA H 761 4.643 4.643 4.313 0.330 18183 8098 1 13 . 1 1 103 103 THR C C 761 172.158 172.158 173.073 -0.915 18183 8099 1 13 . 1 1 103 103 THR CA C 761 60.197 60.197 60.768 -0.571 18183 8100 1 13 . 1 1 103 103 THR CB C 761 69.046 69.046 70.016 -0.970 18183 8101 1 13 . 1 1 103 103 THR H H 761 7.637 7.637 7.371 0.266 18183 8102 1 13 . 1 1 104 104 THR N N 762 114.193 114.193 116.474 -2.281 18183 8103 1 13 . 1 1 104 104 THR HA H 762 4.569 4.569 4.271 0.298 18183 8104 1 13 . 1 1 104 104 THR C C 762 175.698 175.698 173.551 2.147 18183 8105 1 13 . 1 1 104 104 THR CA C 762 60.808 60.808 59.869 0.939 18183 8106 1 13 . 1 1 104 104 THR CB C 762 70.636 70.636 71.140 -0.504 18183 8107 1 13 . 1 1 104 104 THR H H 762 7.284 7.284 8.108 -0.824 18183 8108 1 13 . 1 1 105 105 LEU N N 763 117.473 117.473 122.315 -4.842 18183 8109 1 13 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.693 -0.230 18183 8110 1 13 . 1 1 105 105 LEU C C 763 174.348 174.348 176.774 -2.426 18183 8111 1 13 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.400 -1.418 18183 8112 1 13 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.640 -3.957 18183 8113 1 13 . 1 1 105 105 LEU H H 763 8.093 8.093 8.322 -0.229 18183 8114 1 13 . 1 1 106 106 LYS N N 764 127.491 127.491 124.830 2.661 18183 8115 1 13 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.029 -0.071 18183 8116 1 13 . 1 1 106 106 LYS C C 764 176.734 176.734 176.260 0.474 18183 8117 1 13 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.898 1.798 18183 8118 1 13 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.260 1.907 18183 8119 1 13 . 1 1 106 106 LYS H H 764 7.118 7.118 8.237 -1.119 18183 8120 1 13 . 1 1 107 107 TYR N N 765 115.804 115.804 115.235 0.569 18183 8121 1 13 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.933 0.531 18183 8122 1 13 . 1 1 107 107 TYR C C 765 172.048 172.048 172.702 -0.654 18183 8123 1 13 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.793 -2.274 18183 8124 1 13 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.889 1.486 18183 8125 1 13 . 1 1 107 107 TYR H H 765 7.848 7.848 7.575 0.273 18183 8126 1 13 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.174 -0.548 18183 8127 1 13 . 1 1 108 108 PRO C C 766 180.469 180.469 176.349 4.120 18183 8128 1 13 . 1 1 109 109 TYR N N 767 122.791 122.791 114.483 8.308 18183 8129 1 13 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.418 -0.634 18183 8130 1 13 . 1 1 109 109 TYR C C 767 174.575 174.575 176.104 -1.529 18183 8131 1 13 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.588 3.398 18183 8132 1 13 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.439 0.187 18183 8133 1 13 . 1 1 109 109 TYR H H 767 8.306 8.306 8.552 -0.246 18183 8134 1 13 . 1 1 110 110 LYS N N 768 118.817 118.817 120.911 -2.094 18183 8135 1 13 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.212 -0.309 18183 8136 1 13 . 1 1 110 110 LYS C C 768 176.259 176.259 176.556 -0.297 18183 8137 1 13 . 1 1 110 110 LYS CA C 768 56.595 56.595 57.681 -1.086 18183 8138 1 13 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.786 -0.181 18183 8139 1 13 . 1 1 110 110 LYS H H 768 6.785 6.785 7.992 -1.207 18183 8140 1 13 . 1 1 111 111 SER N N 769 114.539 114.539 113.478 1.061 18183 8141 1 13 . 1 1 111 111 SER HA H 769 4.317 4.317 4.611 -0.294 18183 8142 1 13 . 1 1 111 111 SER C C 769 174.092 174.092 173.251 0.841 18183 8143 1 13 . 1 1 111 111 SER CA C 769 58.647 58.647 58.530 0.117 18183 8144 1 13 . 1 1 111 111 SER CB C 769 63.883 63.883 64.699 -0.816 18183 8145 1 13 . 1 1 111 111 SER H H 769 7.765 7.765 7.898 -0.133 18183 8146 1 13 . 1 1 112 112 ARG N N 770 122.458 122.458 120.836 1.622 18183 8147 1 13 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.436 -0.114 18183 8148 1 13 . 1 1 112 112 ARG C C 770 175.130 175.130 175.085 0.045 18183 8149 1 13 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.180 -0.516 18183 8150 1 13 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.052 -0.172 18183 8151 1 13 . 1 1 112 112 ARG H H 770 8.082 8.082 8.041 0.041 18183 8152 1 14 . 1 1 2 2 ARG N N 660 123.546 123.546 126.445 -2.899 18183 8153 1 14 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.635 -0.059 18183 8154 1 14 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.802 -0.952 18183 8155 1 14 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.502 -0.154 18183 8156 1 14 . 1 1 2 2 ARG H H 660 8.258 8.258 8.286 -0.028 18183 8157 1 14 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.586 -0.230 18183 8158 1 14 . 1 1 4 4 PRO C C 662 177.047 177.047 176.612 0.435 18183 8159 1 14 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.581 0.640 18183 8160 1 14 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.498 -0.523 18183 8161 1 14 . 1 1 5 5 SER N N 663 116.108 116.108 115.348 0.760 18183 8162 1 14 . 1 1 5 5 SER HA H 663 4.335 4.335 4.552 -0.217 18183 8163 1 14 . 1 1 5 5 SER C C 663 174.708 174.708 173.566 1.142 18183 8164 1 14 . 1 1 5 5 SER CA C 663 58.639 58.639 58.471 0.168 18183 8165 1 14 . 1 1 5 5 SER CB C 663 63.849 63.849 63.414 0.435 18183 8166 1 14 . 1 1 5 5 SER H H 663 8.385 8.385 8.373 0.012 18183 8167 1 14 . 1 1 6 6 ARG N N 664 122.132 122.132 123.237 -1.105 18183 8168 1 14 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.002 0.317 18183 8169 1 14 . 1 1 6 6 ARG C C 664 175.951 175.951 174.738 1.213 18183 8170 1 14 . 1 1 6 6 ARG CA C 664 55.931 55.931 57.031 -1.099 18183 8171 1 14 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.127 0.705 18183 8172 1 14 . 1 1 6 6 ARG H H 664 8.347 8.347 8.424 -0.077 18183 8173 1 14 . 1 1 7 7 GLU N N 665 122.268 122.268 116.883 5.385 18183 8174 1 14 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.036 0.226 18183 8175 1 14 . 1 1 7 7 GLU C C 665 175.809 175.809 174.904 0.905 18183 8176 1 14 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.779 -0.609 18183 8177 1 14 . 1 1 7 7 GLU CB C 665 29.908 29.908 29.685 0.223 18183 8178 1 14 . 1 1 7 7 GLU H H 665 8.336 8.336 8.443 -0.107 18183 8179 1 14 . 1 1 8 8 ILE N N 666 123.984 123.984 122.885 1.099 18183 8180 1 14 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.094 -0.314 18183 8181 1 14 . 1 1 8 8 ILE C C 666 174.325 174.325 175.635 -1.310 18183 8182 1 14 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.123 0.686 18183 8183 1 14 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.956 0.277 18183 8184 1 14 . 1 1 8 8 ILE H H 666 7.920 7.920 8.274 -0.354 18183 8185 1 14 . 1 1 9 9 ASP N N 667 124.228 124.228 128.487 -4.259 18183 8186 1 14 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.562 0.006 18183 8187 1 14 . 1 1 9 9 ASP C C 667 177.001 177.001 176.234 0.767 18183 8188 1 14 . 1 1 9 9 ASP CA C 667 51.991 51.991 54.246 -2.255 18183 8189 1 14 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.022 1.288 18183 8190 1 14 . 1 1 9 9 ASP H H 667 8.072 8.072 8.706 -0.634 18183 8191 1 14 . 1 1 10 10 TYR N N 668 125.329 125.329 120.639 4.690 18183 8192 1 14 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.216 -0.088 18183 8193 1 14 . 1 1 10 10 TYR C C 668 175.901 175.901 176.999 -1.098 18183 8194 1 14 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.133 0.424 18183 8195 1 14 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.441 -1.275 18183 8196 1 14 . 1 1 10 10 TYR H H 668 8.493 8.493 7.864 0.629 18183 8197 1 14 . 1 1 11 11 THR N N 669 108.533 108.533 111.206 -2.673 18183 8198 1 14 . 1 1 11 11 THR HA H 669 4.082 4.082 3.988 0.094 18183 8199 1 14 . 1 1 11 11 THR C C 669 175.170 175.170 175.214 -0.044 18183 8200 1 14 . 1 1 11 11 THR CA C 669 64.701 64.701 64.237 0.464 18183 8201 1 14 . 1 1 11 11 THR CB C 669 68.924 68.924 68.125 0.799 18183 8202 1 14 . 1 1 11 11 THR H H 669 7.948 7.948 7.874 0.074 18183 8203 1 14 . 1 1 12 12 ALA N N 670 121.252 121.252 124.279 -3.027 18183 8204 1 14 . 1 1 12 12 ALA HA H 670 4.023 4.023 3.964 0.059 18183 8205 1 14 . 1 1 12 12 ALA C C 670 177.747 177.747 177.517 0.230 18183 8206 1 14 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.201 -0.702 18183 8207 1 14 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.462 0.764 18183 8208 1 14 . 1 1 12 12 ALA H H 670 7.366 7.366 7.165 0.201 18183 8209 1 14 . 1 1 13 13 TYR N N 671 117.895 117.895 117.438 0.457 18183 8210 1 14 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.341 -0.089 18183 8211 1 14 . 1 1 13 13 TYR C C 671 176.545 176.545 175.754 0.791 18183 8212 1 14 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.704 0.768 18183 8213 1 14 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.239 -0.680 18183 8214 1 14 . 1 1 13 13 TYR H H 671 7.490 7.490 7.041 0.449 18183 8215 1 14 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.335 -0.035 18183 8216 1 14 . 1 1 14 14 PRO C C 672 173.638 173.638 176.653 -3.015 18183 8217 1 14 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.269 -0.518 18183 8218 1 14 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.344 -1.100 18183 8219 1 14 . 1 1 15 15 TRP N N 673 109.940 109.940 113.540 -3.600 18183 8220 1 14 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.633 0.073 18183 8221 1 14 . 1 1 15 15 TRP C C 673 175.471 175.471 175.398 0.073 18183 8222 1 14 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.697 -1.847 18183 8223 1 14 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.620 3.816 18183 8224 1 14 . 1 1 15 15 TRP H H 673 6.184 6.184 7.270 -1.086 18183 8225 1 14 . 1 1 16 16 PHE N N 674 123.228 123.228 121.989 1.239 18183 8226 1 14 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.914 0.187 18183 8227 1 14 . 1 1 16 16 PHE C C 674 174.684 174.684 174.531 0.153 18183 8228 1 14 . 1 1 16 16 PHE CA C 674 59.566 59.566 57.707 1.859 18183 8229 1 14 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.782 -0.814 18183 8230 1 14 . 1 1 16 16 PHE H H 674 7.585 7.585 7.361 0.224 18183 8231 1 14 . 1 1 17 17 ALA N N 675 130.573 130.573 125.998 4.575 18183 8232 1 14 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.169 0.673 18183 8233 1 14 . 1 1 17 17 ALA C C 675 177.161 177.161 176.933 0.228 18183 8234 1 14 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.808 -0.640 18183 8235 1 14 . 1 1 17 17 ALA CB C 675 21.968 21.968 20.306 1.662 18183 8236 1 14 . 1 1 17 17 ALA H H 675 9.004 9.004 8.351 0.653 18183 8237 1 14 . 1 1 18 18 GLY C C 676 174.000 174.000 173.356 0.644 18183 8238 1 14 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.541 1.949 18183 8239 1 14 . 1 1 19 19 ASN N N 677 124.182 124.182 121.241 2.941 18183 8240 1 14 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.064 -0.058 18183 8241 1 14 . 1 1 19 19 ASN C C 677 174.916 174.916 175.361 -0.445 18183 8242 1 14 . 1 1 19 19 ASN CA C 677 52.605 52.605 51.593 1.012 18183 8243 1 14 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.412 -0.347 18183 8244 1 14 . 1 1 19 19 ASN H H 677 8.657 8.657 8.462 0.195 18183 8245 1 14 . 1 1 20 20 MET N N 678 122.806 122.806 120.139 2.667 18183 8246 1 14 . 1 1 20 20 MET HA H 678 4.173 4.173 4.410 -0.237 18183 8247 1 14 . 1 1 20 20 MET C C 678 175.317 175.317 175.432 -0.115 18183 8248 1 14 . 1 1 20 20 MET CA C 678 56.274 56.274 56.094 0.180 18183 8249 1 14 . 1 1 20 20 MET CB C 678 35.581 35.581 33.612 1.969 18183 8250 1 14 . 1 1 20 20 MET H H 678 7.158 7.158 7.385 -0.227 18183 8251 1 14 . 1 1 21 21 GLU N N 679 124.655 124.655 122.227 2.428 18183 8252 1 14 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.285 -0.084 18183 8253 1 14 . 1 1 21 21 GLU C C 679 178.105 178.105 177.404 0.701 18183 8254 1 14 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.526 -0.510 18183 8255 1 14 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.795 0.095 18183 8256 1 14 . 1 1 21 21 GLU H H 679 8.687 8.687 8.655 0.032 18183 8257 1 14 . 1 1 22 22 ARG N N 680 125.764 125.764 121.994 3.770 18183 8258 1 14 . 1 1 22 22 ARG HA H 680 3.280 3.280 4.082 -0.802 18183 8259 1 14 . 1 1 22 22 ARG C C 680 177.559 177.559 178.854 -1.295 18183 8260 1 14 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.229 0.825 18183 8261 1 14 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.266 -0.398 18183 8262 1 14 . 1 1 22 22 ARG H H 680 9.191 9.191 8.816 0.375 18183 8263 1 14 . 1 1 23 23 GLN N N 681 118.109 118.109 119.375 -1.266 18183 8264 1 14 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.050 -0.057 18183 8265 1 14 . 1 1 23 23 GLN C C 681 178.252 178.252 178.005 0.247 18183 8266 1 14 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.483 0.116 18183 8267 1 14 . 1 1 23 23 GLN CB C 681 27.765 27.765 28.107 -0.342 18183 8268 1 14 . 1 1 23 23 GLN H H 681 9.085 9.085 8.604 0.481 18183 8269 1 14 . 1 1 24 24 GLN N N 682 118.128 118.128 117.129 0.999 18183 8270 1 14 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.061 -0.010 18183 8271 1 14 . 1 1 24 24 GLN C C 682 178.328 178.328 178.622 -0.294 18183 8272 1 14 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.123 -0.358 18183 8273 1 14 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.433 -0.201 18183 8274 1 14 . 1 1 24 24 GLN H H 682 7.287 7.287 8.601 -1.314 18183 8275 1 14 . 1 1 25 25 THR N N 683 116.436 116.436 114.836 1.600 18183 8276 1 14 . 1 1 25 25 THR HA H 683 3.641 3.641 3.957 -0.316 18183 8277 1 14 . 1 1 25 25 THR CA C 683 67.504 67.504 67.752 -0.248 18183 8278 1 14 . 1 1 25 25 THR CB C 683 67.667 67.667 68.489 -0.822 18183 8279 1 14 . 1 1 25 25 THR H H 683 7.813 7.813 7.647 0.166 18183 8280 1 14 . 1 1 26 26 ASP N N 684 123.084 123.084 120.625 2.459 18183 8281 1 14 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.453 -0.225 18183 8282 1 14 . 1 1 26 26 ASP C C 684 178.426 178.426 177.202 1.224 18183 8283 1 14 . 1 1 26 26 ASP CA C 684 58.020 58.020 56.938 1.082 18183 8284 1 14 . 1 1 26 26 ASP CB C 684 39.826 39.826 40.850 -1.024 18183 8285 1 14 . 1 1 26 26 ASP H H 684 8.384 8.384 7.600 0.784 18183 8286 1 14 . 1 1 27 27 ASN N N 685 116.068 116.068 117.218 -1.150 18183 8287 1 14 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.573 -0.254 18183 8288 1 14 . 1 1 27 27 ASN C C 685 177.207 177.207 177.962 -0.755 18183 8289 1 14 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.209 0.538 18183 8290 1 14 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.744 -0.547 18183 8291 1 14 . 1 1 27 27 ASN H H 685 7.667 7.667 7.874 -0.207 18183 8292 1 14 . 1 1 28 28 LEU N N 686 120.906 120.906 121.272 -0.366 18183 8293 1 14 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.210 -0.041 18183 8294 1 14 . 1 1 28 28 LEU C C 686 179.394 179.394 177.779 1.615 18183 8295 1 14 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.491 0.330 18183 8296 1 14 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.156 0.536 18183 8297 1 14 . 1 1 28 28 LEU H H 686 7.993 7.993 7.579 0.414 18183 8298 1 14 . 1 1 29 29 LEU N N 687 114.941 114.941 113.973 0.968 18183 8299 1 14 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.740 -0.689 18183 8300 1 14 . 1 1 29 29 LEU C C 687 178.742 178.742 177.540 1.202 18183 8301 1 14 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.222 2.215 18183 8302 1 14 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.533 2.309 18183 8303 1 14 . 1 1 29 29 LEU H H 687 8.166 8.166 7.649 0.517 18183 8304 1 14 . 1 1 30 30 LYS N N 688 118.446 118.446 119.187 -0.741 18183 8305 1 14 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.188 -0.475 18183 8306 1 14 . 1 1 30 30 LYS C C 688 177.260 177.260 177.215 0.045 18183 8307 1 14 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.083 2.395 18183 8308 1 14 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.762 -0.678 18183 8309 1 14 . 1 1 30 30 LYS H H 688 7.635 7.635 7.302 0.333 18183 8310 1 14 . 1 1 31 31 SER N N 689 111.039 111.039 113.013 -1.974 18183 8311 1 14 . 1 1 31 31 SER HA H 689 4.417 4.417 4.641 -0.224 18183 8312 1 14 . 1 1 31 31 SER C C 689 174.495 174.495 173.358 1.137 18183 8313 1 14 . 1 1 31 31 SER CA C 689 58.387 58.387 57.332 1.055 18183 8314 1 14 . 1 1 31 31 SER CB C 689 63.281 63.281 63.334 -0.053 18183 8315 1 14 . 1 1 31 31 SER H H 689 7.709 7.709 8.315 -0.606 18183 8316 1 14 . 1 1 32 32 HIS N N 690 120.253 120.253 121.002 -0.749 18183 8317 1 14 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.650 -0.074 18183 8318 1 14 . 1 1 32 32 HIS C C 690 173.913 173.913 174.947 -1.034 18183 8319 1 14 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.806 -0.730 18183 8320 1 14 . 1 1 32 32 HIS CB C 690 31.853 31.853 31.472 0.381 18183 8321 1 14 . 1 1 32 32 HIS H H 690 7.647 7.647 7.561 0.086 18183 8322 1 14 . 1 1 33 33 ALA N N 691 120.403 120.403 123.735 -3.332 18183 8323 1 14 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.303 -0.025 18183 8324 1 14 . 1 1 33 33 ALA C C 691 179.503 179.503 176.843 2.660 18183 8325 1 14 . 1 1 33 33 ALA CA C 691 51.718 51.718 52.330 -0.612 18183 8326 1 14 . 1 1 33 33 ALA CB C 691 20.269 20.269 19.710 0.559 18183 8327 1 14 . 1 1 33 33 ALA H H 691 8.452 8.452 8.663 -0.211 18183 8328 1 14 . 1 1 34 34 SER N N 692 117.464 117.464 114.472 2.992 18183 8329 1 14 . 1 1 34 34 SER HA H 692 4.047 4.047 4.427 -0.380 18183 8330 1 14 . 1 1 34 34 SER C C 692 175.307 175.307 174.573 0.734 18183 8331 1 14 . 1 1 34 34 SER CA C 692 60.434 60.434 58.808 1.626 18183 8332 1 14 . 1 1 34 34 SER CB C 692 63.132 63.132 62.202 0.930 18183 8333 1 14 . 1 1 34 34 SER H H 692 9.002 9.002 8.529 0.473 18183 8334 1 14 . 1 1 35 35 GLY N N 693 113.364 113.364 112.704 0.660 18183 8335 1 14 . 1 1 35 35 GLY C C 693 174.739 174.739 172.780 1.959 18183 8336 1 14 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.531 -0.680 18183 8337 1 14 . 1 1 35 35 GLY H H 693 9.873 9.873 8.303 1.570 18183 8338 1 14 . 1 1 36 36 THR N N 694 120.932 120.932 118.220 2.712 18183 8339 1 14 . 1 1 36 36 THR HA H 694 5.923 5.923 5.852 0.071 18183 8340 1 14 . 1 1 36 36 THR C C 694 173.253 173.253 173.306 -0.053 18183 8341 1 14 . 1 1 36 36 THR CA C 694 63.429 63.429 61.237 2.192 18183 8342 1 14 . 1 1 36 36 THR CB C 694 68.091 68.091 71.450 -3.359 18183 8343 1 14 . 1 1 36 36 THR H H 694 8.240 8.240 7.532 0.708 18183 8344 1 14 . 1 1 37 37 TYR N N 695 123.567 123.567 122.707 0.860 18183 8345 1 14 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.515 0.461 18183 8346 1 14 . 1 1 37 37 TYR C C 695 171.737 171.737 173.047 -1.310 18183 8347 1 14 . 1 1 37 37 TYR CA C 695 55.235 55.235 55.028 0.207 18183 8348 1 14 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.600 2.689 18183 8349 1 14 . 1 1 37 37 TYR H H 695 8.765 8.765 8.074 0.691 18183 8350 1 14 . 1 1 38 38 LEU N N 696 115.294 115.294 116.517 -1.223 18183 8351 1 14 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.309 -0.206 18183 8352 1 14 . 1 1 38 38 LEU C C 696 174.368 174.368 174.692 -0.324 18183 8353 1 14 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.397 -0.565 18183 8354 1 14 . 1 1 38 38 LEU CB C 696 46.294 46.294 45.946 0.348 18183 8355 1 14 . 1 1 38 38 LEU H H 696 9.008 9.008 8.906 0.102 18183 8356 1 14 . 1 1 39 39 ILE N N 697 122.087 122.087 119.596 2.491 18183 8357 1 14 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.973 0.320 18183 8358 1 14 . 1 1 39 39 ILE C C 697 173.625 173.625 175.169 -1.544 18183 8359 1 14 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.217 -0.411 18183 8360 1 14 . 1 1 39 39 ILE CB C 697 38.766 38.766 41.458 -2.692 18183 8361 1 14 . 1 1 39 39 ILE H H 697 9.276 9.276 8.902 0.374 18183 8362 1 14 . 1 1 40 40 ARG N N 698 123.307 123.307 125.349 -2.042 18183 8363 1 14 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.531 0.613 18183 8364 1 14 . 1 1 40 40 ARG C C 698 173.789 173.789 174.836 -1.047 18183 8365 1 14 . 1 1 40 40 ARG CA C 698 52.171 52.171 54.181 -2.010 18183 8366 1 14 . 1 1 40 40 ARG CB C 698 33.426 33.426 32.726 0.700 18183 8367 1 14 . 1 1 40 40 ARG H H 698 9.032 9.032 8.918 0.114 18183 8368 1 14 . 1 1 41 41 GLU N N 699 122.502 122.502 119.984 2.518 18183 8369 1 14 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.269 0.722 18183 8370 1 14 . 1 1 41 41 GLU C C 699 175.788 175.788 173.815 1.973 18183 8371 1 14 . 1 1 41 41 GLU CA C 699 54.839 54.839 54.380 0.459 18183 8372 1 14 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.836 -0.913 18183 8373 1 14 . 1 1 41 41 GLU H H 699 8.453 8.453 8.642 -0.189 18183 8374 1 14 . 1 1 42 42 ARG N N 700 125.039 125.039 122.605 2.434 18183 8375 1 14 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.855 -0.201 18183 8376 1 14 . 1 1 42 42 ARG H H 700 8.844 8.844 8.335 0.509 18183 8377 1 14 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.395 -0.180 18183 8378 1 14 . 1 1 43 43 PRO C C 701 176.485 176.485 175.868 0.617 18183 8379 1 14 . 1 1 43 43 PRO CA C 701 64.030 64.030 62.958 1.073 18183 8380 1 14 . 1 1 43 43 PRO CB C 701 31.450 31.450 30.224 1.226 18183 8381 1 14 . 1 1 44 44 ALA N N 702 120.718 120.718 123.647 -2.929 18183 8382 1 14 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.290 -0.047 18183 8383 1 14 . 1 1 44 44 ALA C C 702 176.924 176.924 175.593 1.331 18183 8384 1 14 . 1 1 44 44 ALA CA C 702 52.068 52.068 52.091 -0.023 18183 8385 1 14 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.599 -1.171 18183 8386 1 14 . 1 1 44 44 ALA H H 702 8.217 8.217 8.069 0.148 18183 8387 1 14 . 1 1 45 45 GLU N N 703 118.107 118.107 118.781 -0.674 18183 8388 1 14 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.065 0.240 18183 8389 1 14 . 1 1 45 45 GLU C C 703 176.308 176.308 176.035 0.273 18183 8390 1 14 . 1 1 45 45 GLU H H 703 7.638 7.638 8.638 -1.000 18183 8391 1 14 . 1 1 46 46 ALA N N 704 122.161 122.161 126.956 -4.795 18183 8392 1 14 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.296 -0.161 18183 8393 1 14 . 1 1 46 46 ALA C C 704 178.439 178.439 178.408 0.031 18183 8394 1 14 . 1 1 46 46 ALA H H 704 8.596 8.596 8.687 -0.091 18183 8395 1 14 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.596 0.050 18183 8396 1 14 . 1 1 47 47 GLU C C 705 175.340 175.340 175.569 -0.229 18183 8397 1 14 . 1 1 47 47 GLU H H 705 7.642 7.642 8.627 -0.985 18183 8398 1 14 . 1 1 48 48 ARG N N 706 122.871 122.871 120.263 2.608 18183 8399 1 14 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.538 0.102 18183 8400 1 14 . 1 1 48 48 ARG C C 706 175.645 175.645 174.860 0.785 18183 8401 1 14 . 1 1 48 48 ARG H H 706 8.163 8.163 7.721 0.442 18183 8402 1 14 . 1 1 49 49 PHE N N 707 113.719 113.719 119.174 -5.455 18183 8403 1 14 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.569 1.215 18183 8404 1 14 . 1 1 49 49 PHE C C 707 174.536 174.536 174.418 0.118 18183 8405 1 14 . 1 1 49 49 PHE H H 707 8.370 8.370 7.733 0.637 18183 8406 1 14 . 1 1 50 50 ALA N N 708 119.650 119.650 123.451 -3.801 18183 8407 1 14 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.323 -0.203 18183 8408 1 14 . 1 1 50 50 ALA C C 708 175.964 175.964 175.416 0.548 18183 8409 1 14 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.798 0.215 18183 8410 1 14 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.521 -0.641 18183 8411 1 14 . 1 1 50 50 ALA H H 708 8.868 8.868 8.353 0.515 18183 8412 1 14 . 1 1 51 51 ILE N N 709 121.077 121.077 123.080 -2.003 18183 8413 1 14 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.682 -0.035 18183 8414 1 14 . 1 1 51 51 ILE C C 709 175.049 175.049 175.331 -0.282 18183 8415 1 14 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.393 0.106 18183 8416 1 14 . 1 1 51 51 ILE CB C 709 39.996 39.996 39.267 0.729 18183 8417 1 14 . 1 1 51 51 ILE H H 709 9.130 9.130 9.017 0.113 18183 8418 1 14 . 1 1 52 52 SER N N 710 125.122 125.122 122.692 2.430 18183 8419 1 14 . 1 1 52 52 SER HA H 710 5.454 5.454 5.190 0.264 18183 8420 1 14 . 1 1 52 52 SER C C 710 172.024 172.024 172.960 -0.936 18183 8421 1 14 . 1 1 52 52 SER CA C 710 57.614 57.614 57.762 -0.148 18183 8422 1 14 . 1 1 52 52 SER CB C 710 64.989 64.989 64.550 0.438 18183 8423 1 14 . 1 1 52 52 SER H H 710 9.204 9.204 8.437 0.767 18183 8424 1 14 . 1 1 53 53 ILE N N 711 121.512 121.512 123.237 -1.725 18183 8425 1 14 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.882 0.257 18183 8426 1 14 . 1 1 53 53 ILE C C 711 173.093 173.093 173.301 -0.208 18183 8427 1 14 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.069 -1.436 18183 8428 1 14 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.246 -0.423 18183 8429 1 14 . 1 1 53 53 ILE H H 711 8.825 8.825 8.288 0.537 18183 8430 1 14 . 1 1 54 54 LYS N N 712 128.814 128.814 124.845 3.969 18183 8431 1 14 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.139 -0.384 18183 8432 1 14 . 1 1 54 54 LYS C C 712 174.850 174.850 175.138 -0.288 18183 8433 1 14 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.683 -0.438 18183 8434 1 14 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.587 -0.253 18183 8435 1 14 . 1 1 54 54 LYS H H 712 8.863 8.863 8.825 0.038 18183 8436 1 14 . 1 1 55 55 PHE N N 713 130.119 130.119 126.757 3.362 18183 8437 1 14 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.681 0.187 18183 8438 1 14 . 1 1 55 55 PHE C C 713 174.223 174.223 174.054 0.169 18183 8439 1 14 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.984 0.165 18183 8440 1 14 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.391 -1.789 18183 8441 1 14 . 1 1 55 55 PHE H H 713 9.373 9.373 8.599 0.774 18183 8442 1 14 . 1 1 56 56 ASN N N 714 125.766 125.766 122.157 3.609 18183 8443 1 14 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.214 -0.316 18183 8444 1 14 . 1 1 56 56 ASN C C 714 173.945 173.945 174.001 -0.056 18183 8445 1 14 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.160 0.846 18183 8446 1 14 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.517 -1.556 18183 8447 1 14 . 1 1 56 56 ASN H H 714 8.364 8.364 8.278 0.086 18183 8448 1 14 . 1 1 57 57 ASP N N 715 117.708 117.708 113.787 3.921 18183 8449 1 14 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.181 0.370 18183 8450 1 14 . 1 1 57 57 ASP C C 715 174.766 174.766 175.050 -0.284 18183 8451 1 14 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.703 -0.658 18183 8452 1 14 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.379 0.198 18183 8453 1 14 . 1 1 57 57 ASP H H 715 8.536 8.536 8.633 -0.097 18183 8454 1 14 . 1 1 58 58 GLU N N 716 118.715 118.715 116.125 2.590 18183 8455 1 14 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.594 0.071 18183 8456 1 14 . 1 1 58 58 GLU C C 716 173.786 173.786 173.970 -0.184 18183 8457 1 14 . 1 1 58 58 GLU CA C 716 54.942 54.942 54.860 0.082 18183 8458 1 14 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.378 -0.215 18183 8459 1 14 . 1 1 58 58 GLU H H 716 7.873 7.873 7.609 0.264 18183 8460 1 14 . 1 1 59 59 VAL N N 717 120.798 120.798 122.301 -1.503 18183 8461 1 14 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.555 -0.182 18183 8462 1 14 . 1 1 59 59 VAL C C 717 175.325 175.325 176.258 -0.933 18183 8463 1 14 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.096 0.843 18183 8464 1 14 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.132 0.885 18183 8465 1 14 . 1 1 59 59 VAL H H 717 8.473 8.473 8.559 -0.086 18183 8466 1 14 . 1 1 60 60 LYS N N 718 127.136 127.136 126.388 0.748 18183 8467 1 14 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.610 -0.179 18183 8468 1 14 . 1 1 60 60 LYS C C 718 174.439 174.439 175.714 -1.275 18183 8469 1 14 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.175 -1.366 18183 8470 1 14 . 1 1 60 60 LYS CB C 718 33.105 33.105 33.748 -0.643 18183 8471 1 14 . 1 1 60 60 LYS H H 718 8.903 8.903 8.102 0.801 18183 8472 1 14 . 1 1 61 61 HIS N N 719 119.956 119.956 121.968 -2.012 18183 8473 1 14 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.843 0.380 18183 8474 1 14 . 1 1 61 61 HIS C C 719 175.173 175.173 174.804 0.369 18183 8475 1 14 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.937 0.223 18183 8476 1 14 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.873 3.009 18183 8477 1 14 . 1 1 61 61 HIS H H 719 8.422 8.422 8.652 -0.230 18183 8478 1 14 . 1 1 62 62 ILE N N 720 126.629 126.629 125.559 1.070 18183 8479 1 14 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.303 -0.167 18183 8480 1 14 . 1 1 62 62 ILE C C 720 175.372 175.372 175.350 0.022 18183 8481 1 14 . 1 1 62 62 ILE CA C 720 59.976 59.976 60.882 -0.906 18183 8482 1 14 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.304 1.724 18183 8483 1 14 . 1 1 62 62 ILE H H 720 9.646 9.646 8.146 1.500 18183 8484 1 14 . 1 1 63 63 LYS N N 721 127.276 127.276 126.230 1.046 18183 8485 1 14 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.867 -0.639 18183 8486 1 14 . 1 1 63 63 LYS C C 721 174.877 174.877 175.709 -0.832 18183 8487 1 14 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.639 1.901 18183 8488 1 14 . 1 1 63 63 LYS CB C 721 33.049 33.049 34.495 -1.446 18183 8489 1 14 . 1 1 63 63 LYS H H 721 8.741 8.741 8.517 0.224 18183 8490 1 14 . 1 1 64 64 VAL N N 722 123.343 123.343 121.116 2.227 18183 8491 1 14 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.647 -0.474 18183 8492 1 14 . 1 1 64 64 VAL C C 722 174.522 174.522 174.785 -0.263 18183 8493 1 14 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.718 0.777 18183 8494 1 14 . 1 1 64 64 VAL CB C 722 30.392 30.392 34.928 -4.536 18183 8495 1 14 . 1 1 64 64 VAL H H 722 8.166 8.166 8.518 -0.352 18183 8496 1 14 . 1 1 65 65 VAL N N 723 127.934 127.934 124.031 3.903 18183 8497 1 14 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.436 -0.290 18183 8498 1 14 . 1 1 65 65 VAL C C 723 174.212 174.212 174.198 0.014 18183 8499 1 14 . 1 1 65 65 VAL CA C 723 61.751 61.751 61.149 0.602 18183 8500 1 14 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.922 -1.643 18183 8501 1 14 . 1 1 65 65 VAL H H 723 8.469 8.469 8.106 0.363 18183 8502 1 14 . 1 1 66 66 GLU N N 724 125.632 125.632 127.929 -2.297 18183 8503 1 14 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.162 -0.006 18183 8504 1 14 . 1 1 66 66 GLU C C 724 175.573 175.573 175.555 0.018 18183 8505 1 14 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.148 -0.591 18183 8506 1 14 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.524 0.917 18183 8507 1 14 . 1 1 66 66 GLU H H 724 8.518 8.518 8.772 -0.254 18183 8508 1 14 . 1 1 67 67 LYS N N 725 125.857 125.857 125.484 0.373 18183 8509 1 14 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.621 -0.169 18183 8510 1 14 . 1 1 67 67 LYS C C 725 175.624 175.624 175.791 -0.167 18183 8511 1 14 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.727 0.527 18183 8512 1 14 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.752 -0.711 18183 8513 1 14 . 1 1 67 67 LYS H H 725 8.671 8.671 8.670 0.001 18183 8514 1 14 . 1 1 68 68 ASP N N 726 127.302 127.302 122.880 4.422 18183 8515 1 14 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.422 -0.231 18183 8516 1 14 . 1 1 68 68 ASP C C 726 174.291 174.291 175.572 -1.281 18183 8517 1 14 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.189 0.833 18183 8518 1 14 . 1 1 68 68 ASP CB C 726 39.391 39.391 40.126 -0.735 18183 8519 1 14 . 1 1 68 68 ASP H H 726 9.485 9.485 9.053 0.432 18183 8520 1 14 . 1 1 69 69 ASN N N 727 110.250 110.250 112.219 -1.969 18183 8521 1 14 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.436 -0.212 18183 8522 1 14 . 1 1 69 69 ASN C C 727 173.825 173.825 174.406 -0.581 18183 8523 1 14 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.517 0.154 18183 8524 1 14 . 1 1 69 69 ASN CB C 727 37.344 37.344 37.848 -0.504 18183 8525 1 14 . 1 1 69 69 ASN H H 727 8.344 8.344 8.737 -0.393 18183 8526 1 14 . 1 1 70 70 TRP N N 728 119.098 119.098 116.737 2.361 18183 8527 1 14 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.215 0.101 18183 8528 1 14 . 1 1 70 70 TRP C C 728 174.989 174.989 175.157 -0.168 18183 8529 1 14 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.599 0.113 18183 8530 1 14 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.557 0.786 18183 8531 1 14 . 1 1 70 70 TRP H H 728 8.050 8.050 7.856 0.194 18183 8532 1 14 . 1 1 71 71 ILE N N 729 121.706 121.706 119.045 2.661 18183 8533 1 14 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.070 0.442 18183 8534 1 14 . 1 1 71 71 ILE C C 729 175.265 175.265 173.716 1.549 18183 8535 1 14 . 1 1 71 71 ILE CA C 729 58.794 58.794 60.037 -1.243 18183 8536 1 14 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.943 -0.852 18183 8537 1 14 . 1 1 71 71 ILE H H 729 9.298 9.298 9.423 -0.125 18183 8538 1 14 . 1 1 72 72 HIS N N 730 121.063 121.063 125.514 -4.451 18183 8539 1 14 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.112 0.039 18183 8540 1 14 . 1 1 72 72 HIS C C 730 173.774 173.774 174.581 -0.807 18183 8541 1 14 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.525 0.994 18183 8542 1 14 . 1 1 72 72 HIS CB C 730 32.509 32.509 33.536 -1.027 18183 8543 1 14 . 1 1 72 72 HIS H H 730 9.024 9.024 8.765 0.259 18183 8544 1 14 . 1 1 73 73 ILE N N 731 112.363 112.363 121.657 -9.294 18183 8545 1 14 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.437 0.459 18183 8546 1 14 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.444 -0.142 18183 8547 1 14 . 1 1 73 73 ILE CB C 731 39.387 39.387 39.212 0.175 18183 8548 1 14 . 1 1 73 73 ILE H H 731 9.425 9.425 9.092 0.333 18183 8549 1 14 . 1 1 74 74 THR N N 732 117.292 117.292 114.574 2.718 18183 8550 1 14 . 1 1 74 74 THR HA H 732 4.679 4.679 4.317 0.362 18183 8551 1 14 . 1 1 74 74 THR C C 732 173.467 173.467 172.680 0.787 18183 8552 1 14 . 1 1 74 74 THR CA C 732 59.795 59.795 60.148 -0.353 18183 8553 1 14 . 1 1 74 74 THR CB C 732 69.896 69.896 69.844 0.052 18183 8554 1 14 . 1 1 74 74 THR H H 732 8.421 8.421 7.160 1.261 18183 8555 1 14 . 1 1 75 75 GLU N N 733 123.689 123.689 119.901 3.788 18183 8556 1 14 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.424 -1.450 18183 8557 1 14 . 1 1 75 75 GLU C C 733 175.819 175.819 175.350 0.469 18183 8558 1 14 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.365 2.533 18183 8559 1 14 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.461 -0.470 18183 8560 1 14 . 1 1 75 75 GLU H H 733 8.615 8.615 8.502 0.113 18183 8561 1 14 . 1 1 76 76 ALA N N 734 117.705 117.705 122.796 -5.091 18183 8562 1 14 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.377 -0.465 18183 8563 1 14 . 1 1 76 76 ALA C C 734 177.024 177.024 177.152 -0.128 18183 8564 1 14 . 1 1 76 76 ALA CA C 734 53.262 53.262 53.199 0.063 18183 8565 1 14 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.213 -0.416 18183 8566 1 14 . 1 1 76 76 ALA H H 734 7.654 7.654 7.830 -0.176 18183 8567 1 14 . 1 1 77 77 LYS N N 735 119.239 119.239 120.273 -1.034 18183 8568 1 14 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.265 -0.174 18183 8569 1 14 . 1 1 77 77 LYS C C 735 172.048 172.048 174.273 -2.225 18183 8570 1 14 . 1 1 77 77 LYS CA C 735 54.373 54.373 54.934 -0.561 18183 8571 1 14 . 1 1 77 77 LYS CB C 735 33.343 33.343 33.923 -0.580 18183 8572 1 14 . 1 1 77 77 LYS H H 735 7.214 7.214 7.877 -0.663 18183 8573 1 14 . 1 1 78 78 LYS N N 736 123.194 123.194 123.552 -0.358 18183 8574 1 14 . 1 1 78 78 LYS HA H 736 4.737 4.737 3.770 0.967 18183 8575 1 14 . 1 1 78 78 LYS C C 736 174.901 174.901 175.858 -0.957 18183 8576 1 14 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.747 -1.044 18183 8577 1 14 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.234 1.859 18183 8578 1 14 . 1 1 78 78 LYS H H 736 7.850 7.850 8.069 -0.219 18183 8579 1 14 . 1 1 79 79 PHE N N 737 117.645 117.645 119.814 -2.169 18183 8580 1 14 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.556 0.370 18183 8581 1 14 . 1 1 79 79 PHE C C 737 175.500 175.500 175.222 0.278 18183 8582 1 14 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.200 -0.287 18183 8583 1 14 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.645 0.823 18183 8584 1 14 . 1 1 79 79 PHE H H 737 9.079 9.079 8.914 0.165 18183 8585 1 14 . 1 1 80 80 ASP N N 738 119.264 119.264 120.827 -1.563 18183 8586 1 14 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.412 1.305 18183 8587 1 14 . 1 1 80 80 ASP C C 738 176.014 176.014 176.372 -0.358 18183 8588 1 14 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.627 -0.982 18183 8589 1 14 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.028 0.692 18183 8590 1 14 . 1 1 80 80 ASP H H 738 9.332 9.332 8.450 0.882 18183 8591 1 14 . 1 1 81 81 SER N N 739 108.541 108.541 110.713 -2.172 18183 8592 1 14 . 1 1 81 81 SER HA H 739 4.649 4.649 4.665 -0.016 18183 8593 1 14 . 1 1 81 81 SER C C 739 173.719 173.719 174.838 -1.119 18183 8594 1 14 . 1 1 81 81 SER CA C 739 57.148 57.148 57.134 0.014 18183 8595 1 14 . 1 1 81 81 SER CB C 739 66.475 66.475 65.565 0.910 18183 8596 1 14 . 1 1 81 81 SER H H 739 7.379 7.379 7.654 -0.275 18183 8597 1 14 . 1 1 82 82 LEU N N 740 122.926 122.926 123.202 -0.276 18183 8598 1 14 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.946 -0.190 18183 8599 1 14 . 1 1 82 82 LEU C C 740 177.267 177.267 178.062 -0.795 18183 8600 1 14 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.023 -0.189 18183 8601 1 14 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.739 -1.156 18183 8602 1 14 . 1 1 82 82 LEU H H 740 8.939 8.939 8.389 0.550 18183 8603 1 14 . 1 1 83 83 LEU N N 741 116.722 116.722 117.281 -0.559 18183 8604 1 14 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.939 -0.164 18183 8605 1 14 . 1 1 83 83 LEU C C 741 177.528 177.528 178.101 -0.573 18183 8606 1 14 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.274 -0.135 18183 8607 1 14 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.421 0.256 18183 8608 1 14 . 1 1 83 83 LEU H H 741 7.814 7.814 8.165 -0.351 18183 8609 1 14 . 1 1 84 84 GLU N N 742 116.747 116.747 119.327 -2.580 18183 8610 1 14 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.012 -0.145 18183 8611 1 14 . 1 1 84 84 GLU C C 742 178.282 178.282 178.415 -0.133 18183 8612 1 14 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.216 -0.077 18183 8613 1 14 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.033 1.400 18183 8614 1 14 . 1 1 84 84 GLU H H 742 7.541 7.541 7.944 -0.403 18183 8615 1 14 . 1 1 85 85 LEU N N 743 122.157 122.157 121.321 0.836 18183 8616 1 14 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.274 -0.311 18183 8617 1 14 . 1 1 85 85 LEU C C 743 177.315 177.315 178.226 -0.911 18183 8618 1 14 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.562 1.177 18183 8619 1 14 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.584 0.131 18183 8620 1 14 . 1 1 85 85 LEU H H 743 7.076 7.076 7.217 -0.141 18183 8621 1 14 . 1 1 86 86 VAL N N 744 119.754 119.754 118.167 1.587 18183 8622 1 14 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.320 -0.530 18183 8623 1 14 . 1 1 86 86 VAL C C 744 177.621 177.621 177.961 -0.340 18183 8624 1 14 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.910 -0.066 18183 8625 1 14 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.885 0.080 18183 8626 1 14 . 1 1 86 86 VAL H H 744 8.116 8.116 7.715 0.401 18183 8627 1 14 . 1 1 87 87 GLU N N 745 116.169 116.169 119.228 -3.059 18183 8628 1 14 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.862 -0.147 18183 8629 1 14 . 1 1 87 87 GLU C C 745 179.560 179.560 178.922 0.638 18183 8630 1 14 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.398 -0.076 18183 8631 1 14 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.464 -0.378 18183 8632 1 14 . 1 1 87 87 GLU H H 745 8.168 8.168 7.625 0.543 18183 8633 1 14 . 1 1 88 88 TYR N N 746 120.022 120.022 120.733 -0.711 18183 8634 1 14 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.098 -0.005 18183 8635 1 14 . 1 1 88 88 TYR C C 746 180.010 180.010 178.274 1.736 18183 8636 1 14 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.603 0.991 18183 8637 1 14 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.420 0.408 18183 8638 1 14 . 1 1 88 88 TYR H H 746 7.774 7.774 7.518 0.256 18183 8639 1 14 . 1 1 89 89 TYR N N 747 118.480 118.480 116.824 1.656 18183 8640 1 14 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.509 0.546 18183 8641 1 14 . 1 1 89 89 TYR C C 747 175.796 175.796 178.654 -2.858 18183 8642 1 14 . 1 1 89 89 TYR CA C 747 61.137 61.137 60.317 0.820 18183 8643 1 14 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.709 -0.779 18183 8644 1 14 . 1 1 89 89 TYR H H 747 7.782 7.782 7.523 0.259 18183 8645 1 14 . 1 1 90 90 GLN N N 748 118.696 118.696 117.927 0.769 18183 8646 1 14 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.828 0.561 18183 8647 1 14 . 1 1 90 90 GLN C C 748 177.777 177.777 176.320 1.457 18183 8648 1 14 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.192 -1.475 18183 8649 1 14 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.788 -0.268 18183 8650 1 14 . 1 1 90 90 GLN H H 748 7.838 7.838 7.757 0.081 18183 8651 1 14 . 1 1 91 91 CYS N N 749 111.118 111.118 116.158 -5.040 18183 8652 1 14 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.479 0.123 18183 8653 1 14 . 1 1 91 91 CYS C C 749 172.887 172.887 173.403 -0.516 18183 8654 1 14 . 1 1 91 91 CYS CA C 749 57.434 57.434 57.717 -0.283 18183 8655 1 14 . 1 1 91 91 CYS CB C 749 29.266 29.266 27.087 2.179 18183 8656 1 14 . 1 1 91 91 CYS H H 749 7.145 7.145 7.417 -0.272 18183 8657 1 14 . 1 1 92 92 HIS N N 750 120.227 120.227 119.308 0.919 18183 8658 1 14 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.490 -0.158 18183 8659 1 14 . 1 1 92 92 HIS C C 750 171.842 171.842 173.625 -1.783 18183 8660 1 14 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.078 -0.001 18183 8661 1 14 . 1 1 92 92 HIS CB C 750 29.376 29.376 32.840 -3.463 18183 8662 1 14 . 1 1 92 92 HIS H H 750 7.470 7.470 7.724 -0.254 18183 8663 1 14 . 1 1 93 93 SER N N 751 113.120 113.120 118.034 -4.914 18183 8664 1 14 . 1 1 93 93 SER HA H 751 3.782 3.782 4.537 -0.755 18183 8665 1 14 . 1 1 93 93 SER C C 751 176.653 176.653 175.952 0.701 18183 8666 1 14 . 1 1 93 93 SER CA C 751 57.812 57.812 58.627 -0.815 18183 8667 1 14 . 1 1 93 93 SER CB C 751 62.783 62.783 63.742 -0.959 18183 8668 1 14 . 1 1 93 93 SER H H 751 8.404 8.404 8.713 -0.309 18183 8669 1 14 . 1 1 94 94 LEU N N 752 127.293 127.293 118.847 8.446 18183 8670 1 14 . 1 1 94 94 LEU HA H 752 4.069 4.069 5.065 -0.996 18183 8671 1 14 . 1 1 94 94 LEU C C 752 177.524 177.524 177.589 -0.065 18183 8672 1 14 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.792 2.604 18183 8673 1 14 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.529 1.958 18183 8674 1 14 . 1 1 94 94 LEU H H 752 8.553 8.553 7.881 0.672 18183 8675 1 14 . 1 1 95 95 LYS N N 753 122.249 122.249 119.092 3.157 18183 8676 1 14 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.420 -0.092 18183 8677 1 14 . 1 1 95 95 LYS C C 753 176.426 176.426 178.034 -1.608 18183 8678 1 14 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.708 -1.154 18183 8679 1 14 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.323 0.851 18183 8680 1 14 . 1 1 95 95 LYS H H 753 8.303 8.303 8.216 0.087 18183 8681 1 14 . 1 1 96 96 GLU N N 754 115.401 115.401 118.924 -3.523 18183 8682 1 14 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.136 -0.051 18183 8683 1 14 . 1 1 96 96 GLU C C 754 176.838 176.838 177.989 -1.151 18183 8684 1 14 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.665 -0.568 18183 8685 1 14 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.355 0.145 18183 8686 1 14 . 1 1 96 96 GLU H H 754 7.188 7.188 8.669 -1.481 18183 8687 1 14 . 1 1 97 97 SER N N 755 113.852 113.852 114.008 -0.156 18183 8688 1 14 . 1 1 97 97 SER HA H 755 4.402 4.402 4.501 -0.099 18183 8689 1 14 . 1 1 97 97 SER C C 755 172.067 172.067 174.619 -2.552 18183 8690 1 14 . 1 1 97 97 SER CA C 755 59.448 59.448 60.266 -0.818 18183 8691 1 14 . 1 1 97 97 SER CB C 755 65.680 65.680 64.727 0.953 18183 8692 1 14 . 1 1 97 97 SER H H 755 7.838 7.838 7.725 0.113 18183 8693 1 14 . 1 1 98 98 PHE N N 756 121.742 121.742 121.664 0.078 18183 8694 1 14 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.778 -0.208 18183 8695 1 14 . 1 1 98 98 PHE C C 756 174.941 174.941 175.330 -0.389 18183 8696 1 14 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.369 0.379 18183 8697 1 14 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.928 0.353 18183 8698 1 14 . 1 1 98 98 PHE H H 756 8.223 8.223 8.554 -0.331 18183 8699 1 14 . 1 1 99 99 LYS N N 757 122.713 122.713 124.070 -1.357 18183 8700 1 14 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.201 -0.130 18183 8701 1 14 . 1 1 99 99 LYS C C 757 176.793 176.793 177.174 -0.381 18183 8702 1 14 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.638 0.519 18183 8703 1 14 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.081 0.252 18183 8704 1 14 . 1 1 99 99 LYS H H 757 8.388 8.388 8.755 -0.367 18183 8705 1 14 . 1 1 100 100 GLN N N 758 114.972 114.972 116.864 -1.892 18183 8706 1 14 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.356 -0.195 18183 8707 1 14 . 1 1 100 100 GLN C C 758 175.591 175.591 175.423 0.168 18183 8708 1 14 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.410 0.059 18183 8709 1 14 . 1 1 100 100 GLN CB C 758 27.987 27.987 29.259 -1.272 18183 8710 1 14 . 1 1 100 100 GLN H H 758 8.662 8.662 8.319 0.343 18183 8711 1 14 . 1 1 101 101 LEU N N 759 124.472 124.472 121.641 2.831 18183 8712 1 14 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.578 -0.899 18183 8713 1 14 . 1 1 101 101 LEU C C 759 173.228 173.228 174.887 -1.659 18183 8714 1 14 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.318 -1.993 18183 8715 1 14 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.467 -0.955 18183 8716 1 14 . 1 1 101 101 LEU H H 759 7.884 7.884 7.563 0.321 18183 8717 1 14 . 1 1 102 102 ASP N N 760 119.321 119.321 125.388 -6.067 18183 8718 1 14 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.868 -0.383 18183 8719 1 14 . 1 1 102 102 ASP C C 760 173.467 173.467 175.255 -1.788 18183 8720 1 14 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.847 -1.722 18183 8721 1 14 . 1 1 102 102 ASP CB C 760 39.028 39.028 41.312 -2.284 18183 8722 1 14 . 1 1 102 102 ASP H H 760 6.594 6.594 8.419 -1.825 18183 8723 1 14 . 1 1 103 103 THR N N 761 117.213 117.213 112.690 4.523 18183 8724 1 14 . 1 1 103 103 THR HA H 761 4.643 4.643 4.365 0.278 18183 8725 1 14 . 1 1 103 103 THR C C 761 172.158 172.158 172.898 -0.740 18183 8726 1 14 . 1 1 103 103 THR CA C 761 60.197 60.197 59.711 0.486 18183 8727 1 14 . 1 1 103 103 THR CB C 761 69.046 69.046 70.210 -1.164 18183 8728 1 14 . 1 1 103 103 THR H H 761 7.637 7.637 7.385 0.252 18183 8729 1 14 . 1 1 104 104 THR N N 762 114.193 114.193 113.468 0.725 18183 8730 1 14 . 1 1 104 104 THR HA H 762 4.569 4.569 4.368 0.201 18183 8731 1 14 . 1 1 104 104 THR C C 762 175.698 175.698 173.294 2.404 18183 8732 1 14 . 1 1 104 104 THR CA C 762 60.808 60.808 60.128 0.680 18183 8733 1 14 . 1 1 104 104 THR CB C 762 70.636 70.636 71.911 -1.275 18183 8734 1 14 . 1 1 104 104 THR H H 762 7.284 7.284 7.931 -0.647 18183 8735 1 14 . 1 1 105 105 LEU N N 763 117.473 117.473 121.394 -3.921 18183 8736 1 14 . 1 1 105 105 LEU HA H 763 3.463 3.463 4.060 -0.597 18183 8737 1 14 . 1 1 105 105 LEU C C 763 174.348 174.348 176.644 -2.296 18183 8738 1 14 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.186 -1.204 18183 8739 1 14 . 1 1 105 105 LEU CB C 763 35.683 35.683 40.231 -4.548 18183 8740 1 14 . 1 1 105 105 LEU H H 763 8.093 8.093 8.107 -0.014 18183 8741 1 14 . 1 1 106 106 LYS N N 764 127.491 127.491 123.901 3.590 18183 8742 1 14 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.295 -0.337 18183 8743 1 14 . 1 1 106 106 LYS C C 764 176.734 176.734 176.128 0.606 18183 8744 1 14 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.079 2.617 18183 8745 1 14 . 1 1 106 106 LYS CB C 764 35.167 35.167 34.744 0.423 18183 8746 1 14 . 1 1 106 106 LYS H H 764 7.118 7.118 7.997 -0.879 18183 8747 1 14 . 1 1 107 107 TYR N N 765 115.804 115.804 118.542 -2.738 18183 8748 1 14 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.975 0.489 18183 8749 1 14 . 1 1 107 107 TYR C C 765 172.048 172.048 172.735 -0.687 18183 8750 1 14 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.559 -3.041 18183 8751 1 14 . 1 1 107 107 TYR CB C 765 40.376 40.376 37.687 2.689 18183 8752 1 14 . 1 1 107 107 TYR H H 765 7.848 7.848 8.205 -0.357 18183 8753 1 14 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.085 -0.459 18183 8754 1 14 . 1 1 108 108 PRO C C 766 180.469 180.469 177.317 3.152 18183 8755 1 14 . 1 1 109 109 TYR N N 767 122.791 122.791 118.098 4.693 18183 8756 1 14 . 1 1 109 109 TYR HA H 767 3.784 3.784 3.861 -0.077 18183 8757 1 14 . 1 1 109 109 TYR C C 767 174.575 174.575 177.329 -2.754 18183 8758 1 14 . 1 1 109 109 TYR CA C 767 60.986 60.986 60.299 0.687 18183 8759 1 14 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.361 0.265 18183 8760 1 14 . 1 1 109 109 TYR H H 767 8.306 8.306 7.986 0.320 18183 8761 1 14 . 1 1 110 110 LYS N N 768 118.817 118.817 119.448 -0.631 18183 8762 1 14 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.781 0.122 18183 8763 1 14 . 1 1 110 110 LYS C C 768 176.259 176.259 176.090 0.169 18183 8764 1 14 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.009 -1.414 18183 8765 1 14 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.302 0.303 18183 8766 1 14 . 1 1 110 110 LYS H H 768 6.785 6.785 7.871 -1.086 18183 8767 1 14 . 1 1 111 111 SER N N 769 114.539 114.539 112.767 1.772 18183 8768 1 14 . 1 1 111 111 SER HA H 769 4.317 4.317 4.544 -0.227 18183 8769 1 14 . 1 1 111 111 SER C C 769 174.092 174.092 173.051 1.041 18183 8770 1 14 . 1 1 111 111 SER CA C 769 58.647 58.647 58.666 -0.019 18183 8771 1 14 . 1 1 111 111 SER CB C 769 63.883 63.883 64.076 -0.194 18183 8772 1 14 . 1 1 111 111 SER H H 769 7.765 7.765 7.902 -0.137 18183 8773 1 14 . 1 1 112 112 ARG N N 770 122.458 122.458 125.355 -2.897 18183 8774 1 14 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.575 -0.253 18183 8775 1 14 . 1 1 112 112 ARG C C 770 175.130 175.130 175.760 -0.630 18183 8776 1 14 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.215 -0.551 18183 8777 1 14 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.182 -0.302 18183 8778 1 14 . 1 1 112 112 ARG H H 770 8.082 8.082 8.796 -0.714 18183 8779 1 15 . 1 1 2 2 ARG N N 660 123.546 123.546 122.545 1.001 18183 8780 1 15 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.765 -0.189 18183 8781 1 15 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.796 -0.946 18183 8782 1 15 . 1 1 2 2 ARG CB C 660 30.347 30.347 31.439 -1.092 18183 8783 1 15 . 1 1 2 2 ARG H H 660 8.258 8.258 8.494 -0.236 18183 8784 1 15 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.496 -0.140 18183 8785 1 15 . 1 1 4 4 PRO C C 662 177.047 177.047 176.701 0.346 18183 8786 1 15 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.591 0.630 18183 8787 1 15 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.523 -0.548 18183 8788 1 15 . 1 1 5 5 SER N N 663 116.108 116.108 118.038 -1.930 18183 8789 1 15 . 1 1 5 5 SER HA H 663 4.335 4.335 4.593 -0.258 18183 8790 1 15 . 1 1 5 5 SER C C 663 174.708 174.708 174.314 0.394 18183 8791 1 15 . 1 1 5 5 SER CA C 663 58.639 58.639 58.314 0.325 18183 8792 1 15 . 1 1 5 5 SER CB C 663 63.849 63.849 63.914 -0.065 18183 8793 1 15 . 1 1 5 5 SER H H 663 8.385 8.385 8.487 -0.102 18183 8794 1 15 . 1 1 6 6 ARG N N 664 122.132 122.132 125.971 -3.839 18183 8795 1 15 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.522 -0.203 18183 8796 1 15 . 1 1 6 6 ARG C C 664 175.951 175.951 175.213 0.738 18183 8797 1 15 . 1 1 6 6 ARG CA C 664 55.931 55.931 55.962 -0.031 18183 8798 1 15 . 1 1 6 6 ARG CB C 664 30.832 30.832 31.372 -0.539 18183 8799 1 15 . 1 1 6 6 ARG H H 664 8.347 8.347 8.668 -0.321 18183 8800 1 15 . 1 1 7 7 GLU N N 665 122.268 122.268 123.725 -1.457 18183 8801 1 15 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.574 -0.312 18183 8802 1 15 . 1 1 7 7 GLU C C 665 175.809 175.809 175.636 0.173 18183 8803 1 15 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.870 0.300 18183 8804 1 15 . 1 1 7 7 GLU CB C 665 29.908 29.908 31.163 -1.255 18183 8805 1 15 . 1 1 7 7 GLU H H 665 8.336 8.336 8.597 -0.261 18183 8806 1 15 . 1 1 8 8 ILE N N 666 123.984 123.984 123.331 0.653 18183 8807 1 15 . 1 1 8 8 ILE HA H 666 3.780 3.780 3.928 -0.148 18183 8808 1 15 . 1 1 8 8 ILE C C 666 174.325 174.325 176.615 -2.290 18183 8809 1 15 . 1 1 8 8 ILE CA C 666 60.809 60.809 61.532 -0.723 18183 8810 1 15 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.263 0.970 18183 8811 1 15 . 1 1 8 8 ILE H H 666 7.920 7.920 8.300 -0.380 18183 8812 1 15 . 1 1 9 9 ASP N N 667 124.228 124.228 128.501 -4.273 18183 8813 1 15 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.529 0.039 18183 8814 1 15 . 1 1 9 9 ASP C C 667 177.001 177.001 176.048 0.953 18183 8815 1 15 . 1 1 9 9 ASP CA C 667 51.991 51.991 54.332 -2.341 18183 8816 1 15 . 1 1 9 9 ASP CB C 667 40.310 40.310 38.859 1.451 18183 8817 1 15 . 1 1 9 9 ASP H H 667 8.072 8.072 8.614 -0.542 18183 8818 1 15 . 1 1 10 10 TYR N N 668 125.329 125.329 120.292 5.037 18183 8819 1 15 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.115 0.013 18183 8820 1 15 . 1 1 10 10 TYR C C 668 175.901 175.901 177.025 -1.124 18183 8821 1 15 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.613 -0.056 18183 8822 1 15 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.627 -1.460 18183 8823 1 15 . 1 1 10 10 TYR H H 668 8.493 8.493 7.787 0.706 18183 8824 1 15 . 1 1 11 11 THR N N 669 108.533 108.533 112.174 -3.641 18183 8825 1 15 . 1 1 11 11 THR HA H 669 4.082 4.082 3.479 0.603 18183 8826 1 15 . 1 1 11 11 THR C C 669 175.170 175.170 175.093 0.077 18183 8827 1 15 . 1 1 11 11 THR CA C 669 64.701 64.701 64.425 0.275 18183 8828 1 15 . 1 1 11 11 THR CB C 669 68.924 68.924 68.382 0.543 18183 8829 1 15 . 1 1 11 11 THR H H 669 7.948 7.948 7.759 0.189 18183 8830 1 15 . 1 1 12 12 ALA N N 670 121.252 121.252 123.155 -1.903 18183 8831 1 15 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.023 0.000 18183 8832 1 15 . 1 1 12 12 ALA C C 670 177.747 177.747 177.847 -0.100 18183 8833 1 15 . 1 1 12 12 ALA CA C 670 52.499 52.499 52.772 -0.272 18183 8834 1 15 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.571 0.656 18183 8835 1 15 . 1 1 12 12 ALA H H 670 7.366 7.366 7.170 0.196 18183 8836 1 15 . 1 1 13 13 TYR N N 671 117.895 117.895 117.492 0.403 18183 8837 1 15 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.270 -0.018 18183 8838 1 15 . 1 1 13 13 TYR C C 671 176.545 176.545 175.426 1.119 18183 8839 1 15 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.903 0.569 18183 8840 1 15 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.221 -0.662 18183 8841 1 15 . 1 1 13 13 TYR H H 671 7.490 7.490 7.108 0.382 18183 8842 1 15 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.335 -0.035 18183 8843 1 15 . 1 1 14 14 PRO C C 672 173.638 173.638 176.222 -2.584 18183 8844 1 15 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.027 -0.276 18183 8845 1 15 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.084 -0.840 18183 8846 1 15 . 1 1 15 15 TRP N N 673 109.940 109.940 114.180 -4.240 18183 8847 1 15 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.948 -0.242 18183 8848 1 15 . 1 1 15 15 TRP C C 673 175.471 175.471 174.278 1.193 18183 8849 1 15 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.458 -1.608 18183 8850 1 15 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.193 4.243 18183 8851 1 15 . 1 1 15 15 TRP H H 673 6.184 6.184 7.307 -1.123 18183 8852 1 15 . 1 1 16 16 PHE N N 674 123.228 123.228 121.072 2.156 18183 8853 1 15 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.639 0.462 18183 8854 1 15 . 1 1 16 16 PHE C C 674 174.684 174.684 173.637 1.047 18183 8855 1 15 . 1 1 16 16 PHE CA C 674 59.566 59.566 56.876 2.690 18183 8856 1 15 . 1 1 16 16 PHE CB C 674 39.968 39.968 41.959 -1.991 18183 8857 1 15 . 1 1 16 16 PHE H H 674 7.585 7.585 7.531 0.054 18183 8858 1 15 . 1 1 17 17 ALA N N 675 130.573 130.573 127.334 3.239 18183 8859 1 15 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.542 0.300 18183 8860 1 15 . 1 1 17 17 ALA C C 675 177.161 177.161 176.989 0.172 18183 8861 1 15 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.640 -0.472 18183 8862 1 15 . 1 1 17 17 ALA CB C 675 21.968 21.968 20.673 1.295 18183 8863 1 15 . 1 1 17 17 ALA H H 675 9.004 9.004 8.495 0.509 18183 8864 1 15 . 1 1 18 18 GLY C C 676 174.000 174.000 172.940 1.060 18183 8865 1 15 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.572 1.918 18183 8866 1 15 . 1 1 19 19 ASN N N 677 124.182 124.182 120.619 3.563 18183 8867 1 15 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.732 0.274 18183 8868 1 15 . 1 1 19 19 ASN C C 677 174.916 174.916 175.069 -0.153 18183 8869 1 15 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.500 -0.895 18183 8870 1 15 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.436 -0.371 18183 8871 1 15 . 1 1 19 19 ASN H H 677 8.657 8.657 8.615 0.042 18183 8872 1 15 . 1 1 20 20 MET N N 678 122.806 122.806 122.780 0.026 18183 8873 1 15 . 1 1 20 20 MET HA H 678 4.173 4.173 4.537 -0.364 18183 8874 1 15 . 1 1 20 20 MET C C 678 175.317 175.317 174.841 0.476 18183 8875 1 15 . 1 1 20 20 MET CA C 678 56.274 56.274 54.871 1.403 18183 8876 1 15 . 1 1 20 20 MET CB C 678 35.581 35.581 34.773 0.808 18183 8877 1 15 . 1 1 20 20 MET H H 678 7.158 7.158 7.992 -0.834 18183 8878 1 15 . 1 1 21 21 GLU N N 679 124.655 124.655 119.682 4.973 18183 8879 1 15 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.679 -0.478 18183 8880 1 15 . 1 1 21 21 GLU C C 679 178.105 178.105 177.531 0.574 18183 8881 1 15 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.089 0.927 18183 8882 1 15 . 1 1 21 21 GLU CB C 679 30.890 30.890 31.638 -0.748 18183 8883 1 15 . 1 1 21 21 GLU H H 679 8.687 8.687 8.475 0.212 18183 8884 1 15 . 1 1 22 22 ARG N N 680 125.764 125.764 121.839 3.925 18183 8885 1 15 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.960 -0.680 18183 8886 1 15 . 1 1 22 22 ARG C C 680 177.559 177.559 178.431 -0.872 18183 8887 1 15 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.641 0.413 18183 8888 1 15 . 1 1 22 22 ARG CB C 680 29.868 29.868 29.995 -0.127 18183 8889 1 15 . 1 1 22 22 ARG H H 680 9.191 9.191 8.763 0.428 18183 8890 1 15 . 1 1 23 23 GLN N N 681 118.109 118.109 118.691 -0.582 18183 8891 1 15 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.124 -0.131 18183 8892 1 15 . 1 1 23 23 GLN C C 681 178.252 178.252 178.458 -0.206 18183 8893 1 15 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.381 0.218 18183 8894 1 15 . 1 1 23 23 GLN CB C 681 27.765 27.765 28.003 -0.238 18183 8895 1 15 . 1 1 23 23 GLN H H 681 9.085 9.085 8.554 0.531 18183 8896 1 15 . 1 1 24 24 GLN N N 682 118.128 118.128 117.949 0.179 18183 8897 1 15 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.060 -0.009 18183 8898 1 15 . 1 1 24 24 GLN C C 682 178.328 178.328 178.743 -0.415 18183 8899 1 15 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.332 -0.567 18183 8900 1 15 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.474 -0.242 18183 8901 1 15 . 1 1 24 24 GLN H H 682 7.287 7.287 8.627 -1.340 18183 8902 1 15 . 1 1 25 25 THR N N 683 116.436 116.436 116.560 -0.124 18183 8903 1 15 . 1 1 25 25 THR HA H 683 3.641 3.641 3.916 -0.275 18183 8904 1 15 . 1 1 25 25 THR CA C 683 67.504 67.504 67.115 0.389 18183 8905 1 15 . 1 1 25 25 THR CB C 683 67.667 67.667 68.682 -1.015 18183 8906 1 15 . 1 1 25 25 THR H H 683 7.813 7.813 8.326 -0.513 18183 8907 1 15 . 1 1 26 26 ASP N N 684 123.084 123.084 121.246 1.838 18183 8908 1 15 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.457 -0.229 18183 8909 1 15 . 1 1 26 26 ASP C C 684 178.426 178.426 178.149 0.277 18183 8910 1 15 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.503 0.517 18183 8911 1 15 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.283 -1.457 18183 8912 1 15 . 1 1 26 26 ASP H H 684 8.384 8.384 8.082 0.302 18183 8913 1 15 . 1 1 27 27 ASN N N 685 116.068 116.068 118.393 -2.325 18183 8914 1 15 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.482 -0.163 18183 8915 1 15 . 1 1 27 27 ASN C C 685 177.207 177.207 177.629 -0.422 18183 8916 1 15 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.133 0.614 18183 8917 1 15 . 1 1 27 27 ASN CB C 685 38.197 38.197 37.985 0.212 18183 8918 1 15 . 1 1 27 27 ASN H H 685 7.667 7.667 8.410 -0.743 18183 8919 1 15 . 1 1 28 28 LEU N N 686 120.906 120.906 120.898 0.008 18183 8920 1 15 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.128 0.041 18183 8921 1 15 . 1 1 28 28 LEU C C 686 179.394 179.394 177.838 1.556 18183 8922 1 15 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.716 0.105 18183 8923 1 15 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.761 0.931 18183 8924 1 15 . 1 1 28 28 LEU H H 686 7.993 7.993 7.572 0.421 18183 8925 1 15 . 1 1 29 29 LEU N N 687 114.941 114.941 113.147 1.794 18183 8926 1 15 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.627 -0.576 18183 8927 1 15 . 1 1 29 29 LEU C C 687 178.742 178.742 177.278 1.464 18183 8928 1 15 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.419 2.018 18183 8929 1 15 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.645 1.197 18183 8930 1 15 . 1 1 29 29 LEU H H 687 8.166 8.166 7.494 0.672 18183 8931 1 15 . 1 1 30 30 LYS N N 688 118.446 118.446 118.217 0.229 18183 8932 1 15 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.116 -0.403 18183 8933 1 15 . 1 1 30 30 LYS C C 688 177.260 177.260 177.356 -0.096 18183 8934 1 15 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.297 2.181 18183 8935 1 15 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.164 -0.080 18183 8936 1 15 . 1 1 30 30 LYS H H 688 7.635 7.635 7.570 0.065 18183 8937 1 15 . 1 1 31 31 SER N N 689 111.039 111.039 112.127 -1.088 18183 8938 1 15 . 1 1 31 31 SER HA H 689 4.417 4.417 4.504 -0.087 18183 8939 1 15 . 1 1 31 31 SER C C 689 174.495 174.495 174.103 0.392 18183 8940 1 15 . 1 1 31 31 SER CA C 689 58.387 58.387 58.594 -0.207 18183 8941 1 15 . 1 1 31 31 SER CB C 689 63.281 63.281 64.119 -0.838 18183 8942 1 15 . 1 1 31 31 SER H H 689 7.709 7.709 8.211 -0.502 18183 8943 1 15 . 1 1 32 32 HIS N N 690 120.253 120.253 121.007 -0.754 18183 8944 1 15 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.496 0.080 18183 8945 1 15 . 1 1 32 32 HIS C C 690 173.913 173.913 174.967 -1.054 18183 8946 1 15 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.690 -0.614 18183 8947 1 15 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.665 1.188 18183 8948 1 15 . 1 1 32 32 HIS H H 690 7.647 7.647 7.721 -0.074 18183 8949 1 15 . 1 1 33 33 ALA N N 691 120.403 120.403 123.719 -3.316 18183 8950 1 15 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.390 -0.112 18183 8951 1 15 . 1 1 33 33 ALA C C 691 179.503 179.503 177.232 2.271 18183 8952 1 15 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.737 -0.019 18183 8953 1 15 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.181 0.088 18183 8954 1 15 . 1 1 33 33 ALA H H 691 8.452 8.452 8.530 -0.078 18183 8955 1 15 . 1 1 34 34 SER N N 692 117.464 117.464 115.429 2.035 18183 8956 1 15 . 1 1 34 34 SER HA H 692 4.047 4.047 4.577 -0.530 18183 8957 1 15 . 1 1 34 34 SER C C 692 175.307 175.307 175.712 -0.405 18183 8958 1 15 . 1 1 34 34 SER CA C 692 60.434 60.434 60.399 0.035 18183 8959 1 15 . 1 1 34 34 SER CB C 692 63.132 63.132 63.303 -0.171 18183 8960 1 15 . 1 1 34 34 SER H H 692 9.002 9.002 8.456 0.546 18183 8961 1 15 . 1 1 35 35 GLY N N 693 113.364 113.364 115.979 -2.615 18183 8962 1 15 . 1 1 35 35 GLY C C 693 174.739 174.739 173.724 1.015 18183 8963 1 15 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.141 -0.291 18183 8964 1 15 . 1 1 35 35 GLY H H 693 9.873 9.873 9.640 0.233 18183 8965 1 15 . 1 1 36 36 THR N N 694 120.932 120.932 118.779 2.153 18183 8966 1 15 . 1 1 36 36 THR HA H 694 5.923 5.923 5.731 0.192 18183 8967 1 15 . 1 1 36 36 THR C C 694 173.253 173.253 173.548 -0.295 18183 8968 1 15 . 1 1 36 36 THR CA C 694 63.429 63.429 61.619 1.810 18183 8969 1 15 . 1 1 36 36 THR CB C 694 68.091 68.091 69.998 -1.907 18183 8970 1 15 . 1 1 36 36 THR H H 694 8.240 8.240 7.619 0.621 18183 8971 1 15 . 1 1 37 37 TYR N N 695 123.567 123.567 122.537 1.030 18183 8972 1 15 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.483 0.493 18183 8973 1 15 . 1 1 37 37 TYR C C 695 171.737 171.737 172.962 -1.225 18183 8974 1 15 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.951 0.284 18183 8975 1 15 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.658 2.631 18183 8976 1 15 . 1 1 37 37 TYR H H 695 8.765 8.765 8.531 0.234 18183 8977 1 15 . 1 1 38 38 LEU N N 696 115.294 115.294 116.482 -1.188 18183 8978 1 15 . 1 1 38 38 LEU HA H 696 5.103 5.103 4.934 0.169 18183 8979 1 15 . 1 1 38 38 LEU C C 696 174.368 174.368 174.508 -0.140 18183 8980 1 15 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.329 -0.497 18183 8981 1 15 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.293 0.001 18183 8982 1 15 . 1 1 38 38 LEU H H 696 9.008 9.008 8.877 0.131 18183 8983 1 15 . 1 1 39 39 ILE N N 697 122.087 122.087 121.263 0.824 18183 8984 1 15 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.678 0.615 18183 8985 1 15 . 1 1 39 39 ILE C C 697 173.625 173.625 174.997 -1.372 18183 8986 1 15 . 1 1 39 39 ILE CA C 697 59.806 59.806 59.037 0.769 18183 8987 1 15 . 1 1 39 39 ILE CB C 697 38.766 38.766 38.365 0.401 18183 8988 1 15 . 1 1 39 39 ILE H H 697 9.276 9.276 8.226 1.050 18183 8989 1 15 . 1 1 40 40 ARG N N 698 123.307 123.307 125.521 -2.214 18183 8990 1 15 . 1 1 40 40 ARG HA H 698 5.144 5.144 5.015 0.129 18183 8991 1 15 . 1 1 40 40 ARG C C 698 173.789 173.789 174.453 -0.664 18183 8992 1 15 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.462 -1.291 18183 8993 1 15 . 1 1 40 40 ARG CB C 698 33.426 33.426 34.068 -0.642 18183 8994 1 15 . 1 1 40 40 ARG H H 698 9.032 9.032 8.650 0.382 18183 8995 1 15 . 1 1 41 41 GLU N N 699 122.502 122.502 119.731 2.771 18183 8996 1 15 . 1 1 41 41 GLU HA H 699 4.991 4.991 5.162 -0.171 18183 8997 1 15 . 1 1 41 41 GLU C C 699 175.788 175.788 175.194 0.594 18183 8998 1 15 . 1 1 41 41 GLU CA C 699 54.839 54.839 54.606 0.233 18183 8999 1 15 . 1 1 41 41 GLU CB C 699 32.923 32.923 34.045 -1.122 18183 9000 1 15 . 1 1 41 41 GLU H H 699 8.453 8.453 8.730 -0.277 18183 9001 1 15 . 1 1 42 42 ARG N N 700 125.039 125.039 119.658 5.381 18183 9002 1 15 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.715 -0.061 18183 9003 1 15 . 1 1 42 42 ARG H H 700 8.844 8.844 8.291 0.553 18183 9004 1 15 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.328 -0.113 18183 9005 1 15 . 1 1 43 43 PRO C C 701 176.485 176.485 176.008 0.477 18183 9006 1 15 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.715 0.314 18183 9007 1 15 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.452 -0.002 18183 9008 1 15 . 1 1 44 44 ALA N N 702 120.718 120.718 127.547 -6.829 18183 9009 1 15 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.333 -0.090 18183 9010 1 15 . 1 1 44 44 ALA C C 702 176.924 176.924 176.891 0.033 18183 9011 1 15 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.771 0.297 18183 9012 1 15 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.751 -1.324 18183 9013 1 15 . 1 1 44 44 ALA H H 702 8.217 8.217 7.551 0.666 18183 9014 1 15 . 1 1 45 45 GLU N N 703 118.107 118.107 120.082 -1.975 18183 9015 1 15 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.232 0.073 18183 9016 1 15 . 1 1 45 45 GLU C C 703 176.308 176.308 177.821 -1.513 18183 9017 1 15 . 1 1 45 45 GLU H H 703 7.638 7.638 8.841 -1.203 18183 9018 1 15 . 1 1 46 46 ALA N N 704 122.161 122.161 121.991 0.170 18183 9019 1 15 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.389 -0.254 18183 9020 1 15 . 1 1 46 46 ALA C C 704 178.439 178.439 177.966 0.473 18183 9021 1 15 . 1 1 46 46 ALA H H 704 8.596 8.596 7.814 0.782 18183 9022 1 15 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.685 -0.039 18183 9023 1 15 . 1 1 47 47 GLU C C 705 175.340 175.340 175.957 -0.617 18183 9024 1 15 . 1 1 47 47 GLU H H 705 7.642 7.642 8.484 -0.842 18183 9025 1 15 . 1 1 48 48 ARG N N 706 122.871 122.871 121.305 1.566 18183 9026 1 15 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.336 0.304 18183 9027 1 15 . 1 1 48 48 ARG C C 706 175.645 175.645 175.336 0.309 18183 9028 1 15 . 1 1 48 48 ARG H H 706 8.163 8.163 7.530 0.633 18183 9029 1 15 . 1 1 49 49 PHE N N 707 113.719 113.719 114.824 -1.105 18183 9030 1 15 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.872 0.912 18183 9031 1 15 . 1 1 49 49 PHE C C 707 174.536 174.536 174.205 0.331 18183 9032 1 15 . 1 1 49 49 PHE H H 707 8.370 8.370 7.663 0.707 18183 9033 1 15 . 1 1 50 50 ALA N N 708 119.650 119.650 121.144 -1.494 18183 9034 1 15 . 1 1 50 50 ALA HA H 708 5.120 5.120 4.771 0.349 18183 9035 1 15 . 1 1 50 50 ALA C C 708 175.964 175.964 175.200 0.764 18183 9036 1 15 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.923 0.090 18183 9037 1 15 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.829 -0.949 18183 9038 1 15 . 1 1 50 50 ALA H H 708 8.868 8.868 9.031 -0.163 18183 9039 1 15 . 1 1 51 51 ILE N N 709 121.077 121.077 120.985 0.092 18183 9040 1 15 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.374 0.273 18183 9041 1 15 . 1 1 51 51 ILE C C 709 175.049 175.049 174.658 0.391 18183 9042 1 15 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.670 -0.171 18183 9043 1 15 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.322 -0.326 18183 9044 1 15 . 1 1 51 51 ILE H H 709 9.130 9.130 8.489 0.641 18183 9045 1 15 . 1 1 52 52 SER N N 710 125.122 125.122 122.878 2.244 18183 9046 1 15 . 1 1 52 52 SER HA H 710 5.454 5.454 4.952 0.502 18183 9047 1 15 . 1 1 52 52 SER C C 710 172.024 172.024 172.759 -0.735 18183 9048 1 15 . 1 1 52 52 SER CA C 710 57.614 57.614 56.735 0.879 18183 9049 1 15 . 1 1 52 52 SER CB C 710 64.989 64.989 64.378 0.611 18183 9050 1 15 . 1 1 52 52 SER H H 710 9.204 9.204 8.677 0.527 18183 9051 1 15 . 1 1 53 53 ILE N N 711 121.512 121.512 124.813 -3.301 18183 9052 1 15 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.932 0.207 18183 9053 1 15 . 1 1 53 53 ILE C C 711 173.093 173.093 173.345 -0.252 18183 9054 1 15 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.220 -1.587 18183 9055 1 15 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.037 -0.214 18183 9056 1 15 . 1 1 53 53 ILE H H 711 8.825 8.825 8.247 0.578 18183 9057 1 15 . 1 1 54 54 LYS N N 712 128.814 128.814 125.119 3.695 18183 9058 1 15 . 1 1 54 54 LYS HA H 712 4.755 4.755 4.789 -0.034 18183 9059 1 15 . 1 1 54 54 LYS C C 712 174.850 174.850 174.275 0.575 18183 9060 1 15 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.767 -0.521 18183 9061 1 15 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.766 -0.432 18183 9062 1 15 . 1 1 54 54 LYS H H 712 8.863 8.863 8.940 -0.077 18183 9063 1 15 . 1 1 55 55 PHE N N 713 130.119 130.119 125.843 4.276 18183 9064 1 15 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.979 -0.111 18183 9065 1 15 . 1 1 55 55 PHE C C 713 174.223 174.223 174.376 -0.153 18183 9066 1 15 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.234 0.915 18183 9067 1 15 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.164 -1.562 18183 9068 1 15 . 1 1 55 55 PHE H H 713 9.373 9.373 8.281 1.092 18183 9069 1 15 . 1 1 56 56 ASN N N 714 125.766 125.766 124.365 1.401 18183 9070 1 15 . 1 1 56 56 ASN HA H 714 3.898 3.898 3.973 -0.075 18183 9071 1 15 . 1 1 56 56 ASN C C 714 173.945 173.945 174.581 -0.636 18183 9072 1 15 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.147 0.859 18183 9073 1 15 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.840 -1.878 18183 9074 1 15 . 1 1 56 56 ASN H H 714 8.364 8.364 7.884 0.480 18183 9075 1 15 . 1 1 57 57 ASP N N 715 117.708 117.708 114.786 2.922 18183 9076 1 15 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.178 0.373 18183 9077 1 15 . 1 1 57 57 ASP C C 715 174.766 174.766 174.271 0.495 18183 9078 1 15 . 1 1 57 57 ASP CA C 715 55.045 55.045 56.276 -1.231 18183 9079 1 15 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.556 0.021 18183 9080 1 15 . 1 1 57 57 ASP H H 715 8.536 8.536 8.341 0.195 18183 9081 1 15 . 1 1 58 58 GLU N N 716 118.715 118.715 116.573 2.142 18183 9082 1 15 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.579 0.086 18183 9083 1 15 . 1 1 58 58 GLU C C 716 173.786 173.786 174.728 -0.942 18183 9084 1 15 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.614 -0.672 18183 9085 1 15 . 1 1 58 58 GLU CB C 716 34.163 34.163 33.583 0.580 18183 9086 1 15 . 1 1 58 58 GLU H H 716 7.873 7.873 7.571 0.302 18183 9087 1 15 . 1 1 59 59 VAL N N 717 120.798 120.798 125.308 -4.510 18183 9088 1 15 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.211 0.162 18183 9089 1 15 . 1 1 59 59 VAL C C 717 175.325 175.325 175.438 -0.113 18183 9090 1 15 . 1 1 59 59 VAL CA C 717 61.939 61.939 62.349 -0.410 18183 9091 1 15 . 1 1 59 59 VAL CB C 717 32.017 32.017 32.293 -0.276 18183 9092 1 15 . 1 1 59 59 VAL H H 717 8.473 8.473 8.524 -0.051 18183 9093 1 15 . 1 1 60 60 LYS N N 718 127.136 127.136 129.435 -2.299 18183 9094 1 15 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.639 -0.208 18183 9095 1 15 . 1 1 60 60 LYS C C 718 174.439 174.439 174.899 -0.460 18183 9096 1 15 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.094 -1.285 18183 9097 1 15 . 1 1 60 60 LYS CB C 718 33.105 33.105 35.069 -1.964 18183 9098 1 15 . 1 1 60 60 LYS H H 718 8.903 8.903 8.963 -0.060 18183 9099 1 15 . 1 1 61 61 HIS N N 719 119.956 119.956 119.139 0.817 18183 9100 1 15 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.795 0.428 18183 9101 1 15 . 1 1 61 61 HIS C C 719 175.173 175.173 174.391 0.782 18183 9102 1 15 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.035 0.126 18183 9103 1 15 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.043 2.839 18183 9104 1 15 . 1 1 61 61 HIS H H 719 8.422 8.422 8.792 -0.370 18183 9105 1 15 . 1 1 62 62 ILE N N 720 126.629 126.629 122.953 3.676 18183 9106 1 15 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.220 -0.084 18183 9107 1 15 . 1 1 62 62 ILE C C 720 175.372 175.372 175.562 -0.190 18183 9108 1 15 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.439 -1.463 18183 9109 1 15 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.008 2.020 18183 9110 1 15 . 1 1 62 62 ILE H H 720 9.646 9.646 8.545 1.101 18183 9111 1 15 . 1 1 63 63 LYS N N 721 127.276 127.276 124.082 3.194 18183 9112 1 15 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.532 -0.305 18183 9113 1 15 . 1 1 63 63 LYS C C 721 174.877 174.877 175.384 -0.507 18183 9114 1 15 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.825 1.715 18183 9115 1 15 . 1 1 63 63 LYS CB C 721 33.049 33.049 34.716 -1.667 18183 9116 1 15 . 1 1 63 63 LYS H H 721 8.741 8.741 8.468 0.273 18183 9117 1 15 . 1 1 64 64 VAL N N 722 123.343 123.343 120.074 3.269 18183 9118 1 15 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.290 -0.117 18183 9119 1 15 . 1 1 64 64 VAL C C 722 174.522 174.522 174.229 0.293 18183 9120 1 15 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.489 0.006 18183 9121 1 15 . 1 1 64 64 VAL CB C 722 30.392 30.392 34.886 -4.494 18183 9122 1 15 . 1 1 64 64 VAL H H 722 8.166 8.166 8.036 0.130 18183 9123 1 15 . 1 1 65 65 VAL N N 723 127.934 127.934 125.411 2.523 18183 9124 1 15 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.344 -0.198 18183 9125 1 15 . 1 1 65 65 VAL C C 723 174.212 174.212 174.605 -0.393 18183 9126 1 15 . 1 1 65 65 VAL CA C 723 61.751 61.751 61.217 0.534 18183 9127 1 15 . 1 1 65 65 VAL CB C 723 33.279 33.279 32.386 0.893 18183 9128 1 15 . 1 1 65 65 VAL H H 723 8.469 8.469 8.260 0.209 18183 9129 1 15 . 1 1 66 66 GLU N N 724 125.632 125.632 130.111 -4.479 18183 9130 1 15 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.274 -0.118 18183 9131 1 15 . 1 1 66 66 GLU C C 724 175.573 175.573 175.145 0.428 18183 9132 1 15 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.392 -0.835 18183 9133 1 15 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.446 0.995 18183 9134 1 15 . 1 1 66 66 GLU H H 724 8.518 8.518 8.348 0.170 18183 9135 1 15 . 1 1 67 67 LYS N N 725 125.857 125.857 124.696 1.161 18183 9136 1 15 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.645 -0.193 18183 9137 1 15 . 1 1 67 67 LYS C C 725 175.624 175.624 175.146 0.478 18183 9138 1 15 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.085 0.169 18183 9139 1 15 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.655 -0.614 18183 9140 1 15 . 1 1 67 67 LYS H H 725 8.671 8.671 8.726 -0.055 18183 9141 1 15 . 1 1 68 68 ASP N N 726 127.302 127.302 122.291 5.011 18183 9142 1 15 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.442 -0.251 18183 9143 1 15 . 1 1 68 68 ASP C C 726 174.291 174.291 175.467 -1.176 18183 9144 1 15 . 1 1 68 68 ASP CA C 726 56.022 56.022 54.904 1.117 18183 9145 1 15 . 1 1 68 68 ASP CB C 726 39.391 39.391 40.023 -0.632 18183 9146 1 15 . 1 1 68 68 ASP H H 726 9.485 9.485 8.970 0.515 18183 9147 1 15 . 1 1 69 69 ASN N N 727 110.250 110.250 110.284 -0.034 18183 9148 1 15 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.411 -0.188 18183 9149 1 15 . 1 1 69 69 ASN C C 727 173.825 173.825 173.667 0.158 18183 9150 1 15 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.536 0.136 18183 9151 1 15 . 1 1 69 69 ASN CB C 727 37.344 37.344 36.700 0.644 18183 9152 1 15 . 1 1 69 69 ASN H H 727 8.344 8.344 8.819 -0.475 18183 9153 1 15 . 1 1 70 70 TRP N N 728 119.098 119.098 116.298 2.800 18183 9154 1 15 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.155 0.161 18183 9155 1 15 . 1 1 70 70 TRP C C 728 174.989 174.989 174.806 0.183 18183 9156 1 15 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.281 0.431 18183 9157 1 15 . 1 1 70 70 TRP CB C 728 33.343 33.343 33.219 0.124 18183 9158 1 15 . 1 1 70 70 TRP H H 728 8.050 8.050 7.545 0.505 18183 9159 1 15 . 1 1 71 71 ILE N N 729 121.706 121.706 120.968 0.738 18183 9160 1 15 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.290 0.222 18183 9161 1 15 . 1 1 71 71 ILE C C 729 175.265 175.265 173.906 1.359 18183 9162 1 15 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.839 -1.045 18183 9163 1 15 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.812 -0.721 18183 9164 1 15 . 1 1 71 71 ILE H H 729 9.298 9.298 9.589 -0.291 18183 9165 1 15 . 1 1 72 72 HIS N N 730 121.063 121.063 123.619 -2.556 18183 9166 1 15 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.315 -0.164 18183 9167 1 15 . 1 1 72 72 HIS C C 730 173.774 173.774 174.502 -0.728 18183 9168 1 15 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.519 1.000 18183 9169 1 15 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.427 1.082 18183 9170 1 15 . 1 1 72 72 HIS H H 730 9.024 9.024 8.494 0.530 18183 9171 1 15 . 1 1 73 73 ILE N N 731 112.363 112.363 117.508 -5.145 18183 9172 1 15 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.418 0.478 18183 9173 1 15 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.561 -0.259 18183 9174 1 15 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.730 0.657 18183 9175 1 15 . 1 1 73 73 ILE H H 731 9.425 9.425 8.951 0.474 18183 9176 1 15 . 1 1 74 74 THR N N 732 117.292 117.292 112.778 4.514 18183 9177 1 15 . 1 1 74 74 THR HA H 732 4.679 4.679 4.483 0.196 18183 9178 1 15 . 1 1 74 74 THR C C 732 173.467 173.467 173.896 -0.429 18183 9179 1 15 . 1 1 74 74 THR CA C 732 59.795 59.795 60.335 -0.540 18183 9180 1 15 . 1 1 74 74 THR CB C 732 69.896 69.896 70.867 -0.970 18183 9181 1 15 . 1 1 74 74 THR H H 732 8.421 8.421 7.724 0.697 18183 9182 1 15 . 1 1 75 75 GLU N N 733 123.689 123.689 121.729 1.960 18183 9183 1 15 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.424 -1.450 18183 9184 1 15 . 1 1 75 75 GLU C C 733 175.819 175.819 176.109 -0.290 18183 9185 1 15 . 1 1 75 75 GLU CA C 733 58.898 58.898 57.247 1.651 18183 9186 1 15 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.261 -0.270 18183 9187 1 15 . 1 1 75 75 GLU H H 733 8.615 8.615 8.788 -0.173 18183 9188 1 15 . 1 1 76 76 ALA N N 734 117.705 117.705 121.732 -4.027 18183 9189 1 15 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.282 -0.370 18183 9190 1 15 . 1 1 76 76 ALA C C 734 177.024 177.024 177.267 -0.243 18183 9191 1 15 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.956 0.306 18183 9192 1 15 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.875 -0.078 18183 9193 1 15 . 1 1 76 76 ALA H H 734 7.654 7.654 8.241 -0.587 18183 9194 1 15 . 1 1 77 77 LYS N N 735 119.239 119.239 117.885 1.354 18183 9195 1 15 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.148 -0.057 18183 9196 1 15 . 1 1 77 77 LYS C C 735 172.048 172.048 173.624 -1.576 18183 9197 1 15 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.615 -1.242 18183 9198 1 15 . 1 1 77 77 LYS CB C 735 33.343 33.343 34.504 -1.161 18183 9199 1 15 . 1 1 77 77 LYS H H 735 7.214 7.214 7.819 -0.605 18183 9200 1 15 . 1 1 78 78 LYS N N 736 123.194 123.194 123.035 0.159 18183 9201 1 15 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.102 0.635 18183 9202 1 15 . 1 1 78 78 LYS C C 736 174.901 174.901 175.673 -0.772 18183 9203 1 15 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.133 -0.430 18183 9204 1 15 . 1 1 78 78 LYS CB C 736 35.093 35.093 32.979 2.114 18183 9205 1 15 . 1 1 78 78 LYS H H 736 7.850 7.850 7.750 0.100 18183 9206 1 15 . 1 1 79 79 PHE N N 737 117.645 117.645 120.507 -2.862 18183 9207 1 15 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.948 -0.022 18183 9208 1 15 . 1 1 79 79 PHE C C 737 175.500 175.500 175.602 -0.102 18183 9209 1 15 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.402 -0.489 18183 9210 1 15 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.374 1.094 18183 9211 1 15 . 1 1 79 79 PHE H H 737 9.079 9.079 8.781 0.298 18183 9212 1 15 . 1 1 80 80 ASP N N 738 119.264 119.264 122.747 -3.483 18183 9213 1 15 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.754 0.963 18183 9214 1 15 . 1 1 80 80 ASP C C 738 176.014 176.014 176.650 -0.636 18183 9215 1 15 . 1 1 80 80 ASP CA C 738 55.645 55.645 57.830 -2.185 18183 9216 1 15 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.513 0.207 18183 9217 1 15 . 1 1 80 80 ASP H H 738 9.332 9.332 8.565 0.767 18183 9218 1 15 . 1 1 81 81 SER N N 739 108.541 108.541 111.803 -3.262 18183 9219 1 15 . 1 1 81 81 SER HA H 739 4.649 4.649 4.773 -0.124 18183 9220 1 15 . 1 1 81 81 SER C C 739 173.719 173.719 174.417 -0.698 18183 9221 1 15 . 1 1 81 81 SER CA C 739 57.148 57.148 56.811 0.337 18183 9222 1 15 . 1 1 81 81 SER CB C 739 66.475 66.475 66.517 -0.042 18183 9223 1 15 . 1 1 81 81 SER H H 739 7.379 7.379 7.763 -0.384 18183 9224 1 15 . 1 1 82 82 LEU N N 740 122.926 122.926 124.642 -1.716 18183 9225 1 15 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.982 -0.227 18183 9226 1 15 . 1 1 82 82 LEU C C 740 177.267 177.267 177.764 -0.497 18183 9227 1 15 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.183 -0.349 18183 9228 1 15 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.723 -1.140 18183 9229 1 15 . 1 1 82 82 LEU H H 740 8.939 8.939 8.768 0.171 18183 9230 1 15 . 1 1 83 83 LEU N N 741 116.722 116.722 118.920 -2.198 18183 9231 1 15 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.874 -0.099 18183 9232 1 15 . 1 1 83 83 LEU C C 741 177.528 177.528 178.742 -1.214 18183 9233 1 15 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.479 -0.340 18183 9234 1 15 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.071 0.606 18183 9235 1 15 . 1 1 83 83 LEU H H 741 7.814 7.814 7.686 0.128 18183 9236 1 15 . 1 1 84 84 GLU N N 742 116.747 116.747 119.183 -2.436 18183 9237 1 15 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.909 -0.042 18183 9238 1 15 . 1 1 84 84 GLU C C 742 178.282 178.282 179.038 -0.756 18183 9239 1 15 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.661 -0.522 18183 9240 1 15 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.319 1.114 18183 9241 1 15 . 1 1 84 84 GLU H H 742 7.541 7.541 7.765 -0.224 18183 9242 1 15 . 1 1 85 85 LEU N N 743 122.157 122.157 120.638 1.519 18183 9243 1 15 . 1 1 85 85 LEU HA H 743 1.963 1.963 1.939 0.024 18183 9244 1 15 . 1 1 85 85 LEU C C 743 177.315 177.315 178.335 -1.020 18183 9245 1 15 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.591 1.148 18183 9246 1 15 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.737 -0.022 18183 9247 1 15 . 1 1 85 85 LEU H H 743 7.076 7.076 7.139 -0.063 18183 9248 1 15 . 1 1 86 86 VAL N N 744 119.754 119.754 118.257 1.497 18183 9249 1 15 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.307 -0.517 18183 9250 1 15 . 1 1 86 86 VAL C C 744 177.621 177.621 178.198 -0.577 18183 9251 1 15 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.597 0.247 18183 9252 1 15 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.914 0.051 18183 9253 1 15 . 1 1 86 86 VAL H H 744 8.116 8.116 7.733 0.383 18183 9254 1 15 . 1 1 87 87 GLU N N 745 116.169 116.169 119.070 -2.901 18183 9255 1 15 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.804 -0.089 18183 9256 1 15 . 1 1 87 87 GLU C C 745 179.560 179.560 178.975 0.585 18183 9257 1 15 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.633 -0.311 18183 9258 1 15 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.539 -0.453 18183 9259 1 15 . 1 1 87 87 GLU H H 745 8.168 8.168 8.679 -0.511 18183 9260 1 15 . 1 1 88 88 TYR N N 746 120.022 120.022 120.724 -0.702 18183 9261 1 15 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.002 0.091 18183 9262 1 15 . 1 1 88 88 TYR C C 746 180.010 180.010 177.660 2.350 18183 9263 1 15 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.395 1.199 18183 9264 1 15 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.548 0.280 18183 9265 1 15 . 1 1 88 88 TYR H H 746 7.774 7.774 8.287 -0.513 18183 9266 1 15 . 1 1 89 89 TYR N N 747 118.480 118.480 117.605 0.875 18183 9267 1 15 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.502 0.553 18183 9268 1 15 . 1 1 89 89 TYR C C 747 175.796 175.796 178.547 -2.751 18183 9269 1 15 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.437 -0.300 18183 9270 1 15 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.805 -0.875 18183 9271 1 15 . 1 1 89 89 TYR H H 747 7.782 7.782 8.274 -0.492 18183 9272 1 15 . 1 1 90 90 GLN N N 748 118.696 118.696 117.890 0.806 18183 9273 1 15 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.877 0.512 18183 9274 1 15 . 1 1 90 90 GLN C C 748 177.777 177.777 176.716 1.061 18183 9275 1 15 . 1 1 90 90 GLN CA C 748 57.717 57.717 58.528 -0.811 18183 9276 1 15 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.703 -0.183 18183 9277 1 15 . 1 1 90 90 GLN H H 748 7.838 7.838 7.902 -0.064 18183 9278 1 15 . 1 1 91 91 CYS N N 749 111.118 111.118 113.317 -2.199 18183 9279 1 15 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.436 0.166 18183 9280 1 15 . 1 1 91 91 CYS C C 749 172.887 172.887 174.620 -1.733 18183 9281 1 15 . 1 1 91 91 CYS CA C 749 57.434 57.434 58.851 -1.417 18183 9282 1 15 . 1 1 91 91 CYS CB C 749 29.266 29.266 29.698 -0.432 18183 9283 1 15 . 1 1 91 91 CYS H H 749 7.145 7.145 7.483 -0.338 18183 9284 1 15 . 1 1 92 92 HIS N N 750 120.227 120.227 119.495 0.732 18183 9285 1 15 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.715 -0.383 18183 9286 1 15 . 1 1 92 92 HIS C C 750 171.842 171.842 174.421 -2.579 18183 9287 1 15 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.194 -0.117 18183 9288 1 15 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.957 -2.581 18183 9289 1 15 . 1 1 92 92 HIS H H 750 7.470 7.470 8.055 -0.585 18183 9290 1 15 . 1 1 93 93 SER N N 751 113.120 113.120 116.807 -3.687 18183 9291 1 15 . 1 1 93 93 SER HA H 751 3.782 3.782 4.309 -0.527 18183 9292 1 15 . 1 1 93 93 SER C C 751 176.653 176.653 175.247 1.406 18183 9293 1 15 . 1 1 93 93 SER CA C 751 57.812 57.812 58.794 -0.982 18183 9294 1 15 . 1 1 93 93 SER CB C 751 62.783 62.783 63.872 -1.089 18183 9295 1 15 . 1 1 93 93 SER H H 751 8.404 8.404 8.719 -0.315 18183 9296 1 15 . 1 1 94 94 LEU N N 752 127.293 127.293 124.164 3.129 18183 9297 1 15 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.691 -0.622 18183 9298 1 15 . 1 1 94 94 LEU C C 752 177.524 177.524 177.180 0.344 18183 9299 1 15 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.815 2.581 18183 9300 1 15 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.606 0.881 18183 9301 1 15 . 1 1 94 94 LEU H H 752 8.553 8.553 8.632 -0.079 18183 9302 1 15 . 1 1 95 95 LYS N N 753 122.249 122.249 119.299 2.950 18183 9303 1 15 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.382 -0.054 18183 9304 1 15 . 1 1 95 95 LYS C C 753 176.426 176.426 178.286 -1.860 18183 9305 1 15 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.415 -0.861 18183 9306 1 15 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.672 0.502 18183 9307 1 15 . 1 1 95 95 LYS H H 753 8.303 8.303 8.318 -0.015 18183 9308 1 15 . 1 1 96 96 GLU N N 754 115.401 115.401 118.338 -2.937 18183 9309 1 15 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.117 -0.032 18183 9310 1 15 . 1 1 96 96 GLU C C 754 176.838 176.838 177.436 -0.598 18183 9311 1 15 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.688 -0.591 18183 9312 1 15 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.433 0.067 18183 9313 1 15 . 1 1 96 96 GLU H H 754 7.188 7.188 8.637 -1.449 18183 9314 1 15 . 1 1 97 97 SER N N 755 113.852 113.852 112.947 0.905 18183 9315 1 15 . 1 1 97 97 SER HA H 755 4.402 4.402 4.544 -0.142 18183 9316 1 15 . 1 1 97 97 SER C C 755 172.067 172.067 174.619 -2.552 18183 9317 1 15 . 1 1 97 97 SER CA C 755 59.448 59.448 60.244 -0.796 18183 9318 1 15 . 1 1 97 97 SER CB C 755 65.680 65.680 64.689 0.991 18183 9319 1 15 . 1 1 97 97 SER H H 755 7.838 7.838 7.732 0.106 18183 9320 1 15 . 1 1 98 98 PHE N N 756 121.742 121.742 121.984 -0.242 18183 9321 1 15 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.804 -0.234 18183 9322 1 15 . 1 1 98 98 PHE C C 756 174.941 174.941 175.739 -0.798 18183 9323 1 15 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.153 0.595 18183 9324 1 15 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.666 0.615 18183 9325 1 15 . 1 1 98 98 PHE H H 756 8.223 8.223 8.822 -0.599 18183 9326 1 15 . 1 1 99 99 LYS N N 757 122.713 122.713 124.005 -1.292 18183 9327 1 15 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.205 -0.134 18183 9328 1 15 . 1 1 99 99 LYS C C 757 176.793 176.793 176.907 -0.114 18183 9329 1 15 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.188 -0.031 18183 9330 1 15 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.398 -0.065 18183 9331 1 15 . 1 1 99 99 LYS H H 757 8.388 8.388 8.592 -0.204 18183 9332 1 15 . 1 1 100 100 GLN N N 758 114.972 114.972 115.363 -0.391 18183 9333 1 15 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.456 -0.295 18183 9334 1 15 . 1 1 100 100 GLN C C 758 175.591 175.591 175.871 -0.280 18183 9335 1 15 . 1 1 100 100 GLN CA C 758 56.469 56.469 55.519 0.950 18183 9336 1 15 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.712 -0.725 18183 9337 1 15 . 1 1 100 100 GLN H H 758 8.662 8.662 8.063 0.599 18183 9338 1 15 . 1 1 101 101 LEU N N 759 124.472 124.472 122.188 2.284 18183 9339 1 15 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.666 -0.987 18183 9340 1 15 . 1 1 101 101 LEU C C 759 173.228 173.228 174.880 -1.652 18183 9341 1 15 . 1 1 101 101 LEU CA C 759 52.325 52.325 55.195 -2.870 18183 9342 1 15 . 1 1 101 101 LEU CB C 759 41.512 41.512 43.597 -2.085 18183 9343 1 15 . 1 1 101 101 LEU H H 759 7.884 7.884 7.831 0.053 18183 9344 1 15 . 1 1 102 102 ASP N N 760 119.321 119.321 124.636 -5.315 18183 9345 1 15 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.710 -0.225 18183 9346 1 15 . 1 1 102 102 ASP C C 760 173.467 173.467 175.229 -1.762 18183 9347 1 15 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.485 -1.360 18183 9348 1 15 . 1 1 102 102 ASP CB C 760 39.028 39.028 39.453 -0.425 18183 9349 1 15 . 1 1 102 102 ASP H H 760 6.594 6.594 8.379 -1.785 18183 9350 1 15 . 1 1 103 103 THR N N 761 117.213 117.213 116.348 0.865 18183 9351 1 15 . 1 1 103 103 THR HA H 761 4.643 4.643 4.266 0.377 18183 9352 1 15 . 1 1 103 103 THR C C 761 172.158 172.158 173.110 -0.952 18183 9353 1 15 . 1 1 103 103 THR CA C 761 60.197 60.197 60.550 -0.353 18183 9354 1 15 . 1 1 103 103 THR CB C 761 69.046 69.046 69.851 -0.805 18183 9355 1 15 . 1 1 103 103 THR H H 761 7.637 7.637 7.382 0.255 18183 9356 1 15 . 1 1 104 104 THR N N 762 114.193 114.193 116.014 -1.821 18183 9357 1 15 . 1 1 104 104 THR HA H 762 4.569 4.569 4.484 0.085 18183 9358 1 15 . 1 1 104 104 THR C C 762 175.698 175.698 174.079 1.619 18183 9359 1 15 . 1 1 104 104 THR CA C 762 60.808 60.808 59.970 0.838 18183 9360 1 15 . 1 1 104 104 THR CB C 762 70.636 70.636 71.141 -0.505 18183 9361 1 15 . 1 1 104 104 THR H H 762 7.284 7.284 8.004 -0.720 18183 9362 1 15 . 1 1 105 105 LEU N N 763 117.473 117.473 121.205 -3.732 18183 9363 1 15 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.836 -0.373 18183 9364 1 15 . 1 1 105 105 LEU C C 763 174.348 174.348 176.550 -2.202 18183 9365 1 15 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.039 -1.057 18183 9366 1 15 . 1 1 105 105 LEU CB C 763 35.683 35.683 40.095 -4.412 18183 9367 1 15 . 1 1 105 105 LEU H H 763 8.093 8.093 8.383 -0.290 18183 9368 1 15 . 1 1 106 106 LYS N N 764 127.491 127.491 124.506 2.985 18183 9369 1 15 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.264 -0.306 18183 9370 1 15 . 1 1 106 106 LYS C C 764 176.734 176.734 176.692 0.042 18183 9371 1 15 . 1 1 106 106 LYS CA C 764 59.696 59.696 56.766 2.930 18183 9372 1 15 . 1 1 106 106 LYS CB C 764 35.167 35.167 34.368 0.799 18183 9373 1 15 . 1 1 106 106 LYS H H 764 7.118 7.118 8.031 -0.913 18183 9374 1 15 . 1 1 107 107 TYR N N 765 115.804 115.804 118.451 -2.647 18183 9375 1 15 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.907 0.557 18183 9376 1 15 . 1 1 107 107 TYR C C 765 172.048 172.048 172.930 -0.882 18183 9377 1 15 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.762 -3.243 18183 9378 1 15 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.244 2.132 18183 9379 1 15 . 1 1 107 107 TYR H H 765 7.848 7.848 7.762 0.086 18183 9380 1 15 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.255 -0.629 18183 9381 1 15 . 1 1 108 108 PRO C C 766 180.469 180.469 175.905 4.564 18183 9382 1 15 . 1 1 109 109 TYR N N 767 122.791 122.791 114.522 8.269 18183 9383 1 15 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.407 -0.623 18183 9384 1 15 . 1 1 109 109 TYR C C 767 174.575 174.575 176.634 -2.059 18183 9385 1 15 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.666 3.320 18183 9386 1 15 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.486 0.140 18183 9387 1 15 . 1 1 109 109 TYR H H 767 8.306 8.306 8.558 -0.252 18183 9388 1 15 . 1 1 110 110 LYS N N 768 118.817 118.817 120.675 -1.858 18183 9389 1 15 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.054 -0.151 18183 9390 1 15 . 1 1 110 110 LYS C C 768 176.259 176.259 176.750 -0.491 18183 9391 1 15 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.103 -1.508 18183 9392 1 15 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.541 0.064 18183 9393 1 15 . 1 1 110 110 LYS H H 768 6.785 6.785 7.968 -1.183 18183 9394 1 15 . 1 1 111 111 SER N N 769 114.539 114.539 110.772 3.767 18183 9395 1 15 . 1 1 111 111 SER HA H 769 4.317 4.317 4.509 -0.192 18183 9396 1 15 . 1 1 111 111 SER C C 769 174.092 174.092 173.535 0.557 18183 9397 1 15 . 1 1 111 111 SER CA C 769 58.647 58.647 58.645 0.002 18183 9398 1 15 . 1 1 111 111 SER CB C 769 63.883 63.883 64.134 -0.251 18183 9399 1 15 . 1 1 111 111 SER H H 769 7.765 7.765 7.790 -0.025 18183 9400 1 15 . 1 1 112 112 ARG N N 770 122.458 122.458 121.787 0.671 18183 9401 1 15 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.260 0.062 18183 9402 1 15 . 1 1 112 112 ARG C C 770 175.130 175.130 175.092 0.038 18183 9403 1 15 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.837 -1.173 18183 9404 1 15 . 1 1 112 112 ARG CB C 770 30.880 30.880 28.994 1.886 18183 9405 1 15 . 1 1 112 112 ARG H H 770 8.082 8.082 8.302 -0.220 18183 9406 1 16 . 1 1 2 2 ARG N N 660 123.546 123.546 124.502 -0.956 18183 9407 1 16 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.655 -0.079 18183 9408 1 16 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.254 -0.404 18183 9409 1 16 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.342 0.005 18183 9410 1 16 . 1 1 2 2 ARG H H 660 8.258 8.258 8.365 -0.107 18183 9411 1 16 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.511 -0.155 18183 9412 1 16 . 1 1 4 4 PRO C C 662 177.047 177.047 177.001 0.046 18183 9413 1 16 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.861 0.360 18183 9414 1 16 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.274 -0.299 18183 9415 1 16 . 1 1 5 5 SER N N 663 116.108 116.108 117.676 -1.568 18183 9416 1 16 . 1 1 5 5 SER HA H 663 4.335 4.335 4.502 -0.167 18183 9417 1 16 . 1 1 5 5 SER C C 663 174.708 174.708 174.095 0.613 18183 9418 1 16 . 1 1 5 5 SER CA C 663 58.639 58.639 57.756 0.883 18183 9419 1 16 . 1 1 5 5 SER CB C 663 63.849 63.849 64.100 -0.251 18183 9420 1 16 . 1 1 5 5 SER H H 663 8.385 8.385 8.371 0.014 18183 9421 1 16 . 1 1 6 6 ARG N N 664 122.132 122.132 123.081 -0.949 18183 9422 1 16 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.424 -0.105 18183 9423 1 16 . 1 1 6 6 ARG C C 664 175.951 175.951 175.625 0.326 18183 9424 1 16 . 1 1 6 6 ARG CA C 664 55.931 55.931 55.869 0.062 18183 9425 1 16 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.041 0.791 18183 9426 1 16 . 1 1 6 6 ARG H H 664 8.347 8.347 8.506 -0.159 18183 9427 1 16 . 1 1 7 7 GLU N N 665 122.268 122.268 120.402 1.866 18183 9428 1 16 . 1 1 7 7 GLU HA H 665 4.262 4.262 3.988 0.274 18183 9429 1 16 . 1 1 7 7 GLU C C 665 175.809 175.809 175.092 0.717 18183 9430 1 16 . 1 1 7 7 GLU CA C 665 56.170 56.170 56.774 -0.604 18183 9431 1 16 . 1 1 7 7 GLU CB C 665 29.908 29.908 29.817 0.091 18183 9432 1 16 . 1 1 7 7 GLU H H 665 8.336 8.336 8.567 -0.231 18183 9433 1 16 . 1 1 8 8 ILE N N 666 123.984 123.984 121.576 2.408 18183 9434 1 16 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.100 -0.320 18183 9435 1 16 . 1 1 8 8 ILE C C 666 174.325 174.325 175.103 -0.778 18183 9436 1 16 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.102 0.707 18183 9437 1 16 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.861 0.372 18183 9438 1 16 . 1 1 8 8 ILE H H 666 7.920 7.920 8.010 -0.090 18183 9439 1 16 . 1 1 9 9 ASP N N 667 124.228 124.228 126.358 -2.130 18183 9440 1 16 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.457 0.111 18183 9441 1 16 . 1 1 9 9 ASP C C 667 177.001 177.001 175.757 1.244 18183 9442 1 16 . 1 1 9 9 ASP CA C 667 51.991 51.991 52.699 -0.708 18183 9443 1 16 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.456 0.854 18183 9444 1 16 . 1 1 9 9 ASP H H 667 8.072 8.072 8.369 -0.297 18183 9445 1 16 . 1 1 10 10 TYR N N 668 125.329 125.329 120.155 5.174 18183 9446 1 16 . 1 1 10 10 TYR HA H 668 4.128 4.128 3.425 0.703 18183 9447 1 16 . 1 1 10 10 TYR C C 668 175.901 175.901 175.974 -0.073 18183 9448 1 16 . 1 1 10 10 TYR CA C 668 60.557 60.557 58.379 2.178 18183 9449 1 16 . 1 1 10 10 TYR CB C 668 36.166 36.166 36.588 -0.422 18183 9450 1 16 . 1 1 10 10 TYR H H 668 8.493 8.493 6.899 1.594 18183 9451 1 16 . 1 1 11 11 THR N N 669 108.533 108.533 108.939 -0.406 18183 9452 1 16 . 1 1 11 11 THR HA H 669 4.082 4.082 3.937 0.145 18183 9453 1 16 . 1 1 11 11 THR C C 669 175.170 175.170 175.196 -0.026 18183 9454 1 16 . 1 1 11 11 THR CA C 669 64.701 64.701 64.430 0.271 18183 9455 1 16 . 1 1 11 11 THR CB C 669 68.924 68.924 68.720 0.204 18183 9456 1 16 . 1 1 11 11 THR H H 669 7.948 7.948 7.448 0.500 18183 9457 1 16 . 1 1 12 12 ALA N N 670 121.252 121.252 124.124 -2.872 18183 9458 1 16 . 1 1 12 12 ALA HA H 670 4.023 4.023 3.976 0.047 18183 9459 1 16 . 1 1 12 12 ALA C C 670 177.747 177.747 177.723 0.024 18183 9460 1 16 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.289 -0.790 18183 9461 1 16 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.582 0.645 18183 9462 1 16 . 1 1 12 12 ALA H H 670 7.366 7.366 6.984 0.382 18183 9463 1 16 . 1 1 13 13 TYR N N 671 117.895 117.895 116.415 1.480 18183 9464 1 16 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.253 -0.001 18183 9465 1 16 . 1 1 13 13 TYR C C 671 176.545 176.545 175.852 0.693 18183 9466 1 16 . 1 1 13 13 TYR CA C 671 56.472 56.472 54.371 2.101 18183 9467 1 16 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.044 -0.485 18183 9468 1 16 . 1 1 13 13 TYR H H 671 7.490 7.490 6.563 0.927 18183 9469 1 16 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.473 -0.173 18183 9470 1 16 . 1 1 14 14 PRO C C 672 173.638 173.638 175.022 -1.384 18183 9471 1 16 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.047 0.704 18183 9472 1 16 . 1 1 14 14 PRO CB C 672 31.244 31.244 30.283 0.961 18183 9473 1 16 . 1 1 15 15 TRP N N 673 109.940 109.940 115.065 -5.125 18183 9474 1 16 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.451 0.255 18183 9475 1 16 . 1 1 15 15 TRP C C 673 175.471 175.471 173.263 2.208 18183 9476 1 16 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.468 -2.618 18183 9477 1 16 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.825 3.611 18183 9478 1 16 . 1 1 15 15 TRP H H 673 6.184 6.184 7.127 -0.943 18183 9479 1 16 . 1 1 16 16 PHE N N 674 123.228 123.228 122.594 0.634 18183 9480 1 16 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.826 0.275 18183 9481 1 16 . 1 1 16 16 PHE C C 674 174.684 174.684 174.354 0.330 18183 9482 1 16 . 1 1 16 16 PHE CA C 674 59.566 59.566 56.319 3.247 18183 9483 1 16 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.785 -0.817 18183 9484 1 16 . 1 1 16 16 PHE H H 674 7.585 7.585 7.485 0.100 18183 9485 1 16 . 1 1 17 17 ALA N N 675 130.573 130.573 129.918 0.655 18183 9486 1 16 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.510 0.332 18183 9487 1 16 . 1 1 17 17 ALA C C 675 177.161 177.161 176.735 0.426 18183 9488 1 16 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.996 -0.828 18183 9489 1 16 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.321 0.647 18183 9490 1 16 . 1 1 17 17 ALA H H 675 9.004 9.004 8.638 0.366 18183 9491 1 16 . 1 1 18 18 GLY C C 676 174.000 174.000 174.433 -0.433 18183 9492 1 16 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.742 1.748 18183 9493 1 16 . 1 1 19 19 ASN N N 677 124.182 124.182 122.009 2.173 18183 9494 1 16 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.933 0.073 18183 9495 1 16 . 1 1 19 19 ASN C C 677 174.916 174.916 174.762 0.154 18183 9496 1 16 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.046 -0.441 18183 9497 1 16 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.129 -0.064 18183 9498 1 16 . 1 1 19 19 ASN H H 677 8.657 8.657 8.452 0.205 18183 9499 1 16 . 1 1 20 20 MET N N 678 122.806 122.806 121.937 0.869 18183 9500 1 16 . 1 1 20 20 MET HA H 678 4.173 4.173 4.659 -0.486 18183 9501 1 16 . 1 1 20 20 MET C C 678 175.317 175.317 174.913 0.404 18183 9502 1 16 . 1 1 20 20 MET CA C 678 56.274 56.274 54.855 1.419 18183 9503 1 16 . 1 1 20 20 MET CB C 678 35.581 35.581 34.993 0.588 18183 9504 1 16 . 1 1 20 20 MET H H 678 7.158 7.158 8.209 -1.051 18183 9505 1 16 . 1 1 21 21 GLU N N 679 124.655 124.655 125.271 -0.616 18183 9506 1 16 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.225 -0.024 18183 9507 1 16 . 1 1 21 21 GLU C C 679 178.105 178.105 176.803 1.302 18183 9508 1 16 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.891 -0.875 18183 9509 1 16 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.294 0.596 18183 9510 1 16 . 1 1 21 21 GLU H H 679 8.687 8.687 9.046 -0.359 18183 9511 1 16 . 1 1 22 22 ARG N N 680 125.764 125.764 122.750 3.014 18183 9512 1 16 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.924 -0.644 18183 9513 1 16 . 1 1 22 22 ARG C C 680 177.559 177.559 178.655 -1.096 18183 9514 1 16 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.575 0.478 18183 9515 1 16 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.017 -0.149 18183 9516 1 16 . 1 1 22 22 ARG H H 680 9.191 9.191 8.814 0.377 18183 9517 1 16 . 1 1 23 23 GLN N N 681 118.109 118.109 119.190 -1.081 18183 9518 1 16 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.010 -0.017 18183 9519 1 16 . 1 1 23 23 GLN C C 681 178.252 178.252 178.080 0.172 18183 9520 1 16 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.677 -0.078 18183 9521 1 16 . 1 1 23 23 GLN CB C 681 27.765 27.765 28.126 -0.361 18183 9522 1 16 . 1 1 23 23 GLN H H 681 9.085 9.085 8.657 0.428 18183 9523 1 16 . 1 1 24 24 GLN N N 682 118.128 118.128 117.531 0.597 18183 9524 1 16 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.070 -0.019 18183 9525 1 16 . 1 1 24 24 GLN C C 682 178.328 178.328 178.613 -0.285 18183 9526 1 16 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.051 -0.286 18183 9527 1 16 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.507 -0.275 18183 9528 1 16 . 1 1 24 24 GLN H H 682 7.287 7.287 8.582 -1.295 18183 9529 1 16 . 1 1 25 25 THR N N 683 116.436 116.436 115.802 0.634 18183 9530 1 16 . 1 1 25 25 THR HA H 683 3.641 3.641 4.051 -0.410 18183 9531 1 16 . 1 1 25 25 THR CA C 683 67.504 67.504 66.792 0.712 18183 9532 1 16 . 1 1 25 25 THR CB C 683 67.667 67.667 68.425 -0.758 18183 9533 1 16 . 1 1 25 25 THR H H 683 7.813 7.813 8.269 -0.456 18183 9534 1 16 . 1 1 26 26 ASP N N 684 123.084 123.084 121.778 1.306 18183 9535 1 16 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.409 -0.181 18183 9536 1 16 . 1 1 26 26 ASP C C 684 178.426 178.426 177.878 0.548 18183 9537 1 16 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.267 0.753 18183 9538 1 16 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.159 -1.333 18183 9539 1 16 . 1 1 26 26 ASP H H 684 8.384 8.384 7.855 0.529 18183 9540 1 16 . 1 1 27 27 ASN N N 685 116.068 116.068 117.404 -1.336 18183 9541 1 16 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.492 -0.173 18183 9542 1 16 . 1 1 27 27 ASN C C 685 177.207 177.207 177.865 -0.658 18183 9543 1 16 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.196 0.551 18183 9544 1 16 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.217 -0.020 18183 9545 1 16 . 1 1 27 27 ASN H H 685 7.667 7.667 7.868 -0.201 18183 9546 1 16 . 1 1 28 28 LEU N N 686 120.906 120.906 120.479 0.427 18183 9547 1 16 . 1 1 28 28 LEU HA H 686 4.169 4.169 3.995 0.174 18183 9548 1 16 . 1 1 28 28 LEU C C 686 179.394 179.394 177.618 1.776 18183 9549 1 16 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.360 0.461 18183 9550 1 16 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.722 0.970 18183 9551 1 16 . 1 1 28 28 LEU H H 686 7.993 7.993 7.450 0.543 18183 9552 1 16 . 1 1 29 29 LEU N N 687 114.941 114.941 114.314 0.627 18183 9553 1 16 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.453 -0.402 18183 9554 1 16 . 1 1 29 29 LEU C C 687 178.742 178.742 177.358 1.384 18183 9555 1 16 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.891 1.546 18183 9556 1 16 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.483 1.359 18183 9557 1 16 . 1 1 29 29 LEU H H 687 8.166 8.166 7.443 0.723 18183 9558 1 16 . 1 1 30 30 LYS N N 688 118.446 118.446 118.197 0.249 18183 9559 1 16 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.136 -0.423 18183 9560 1 16 . 1 1 30 30 LYS C C 688 177.260 177.260 177.394 -0.134 18183 9561 1 16 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.122 2.356 18183 9562 1 16 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.355 -0.271 18183 9563 1 16 . 1 1 30 30 LYS H H 688 7.635 7.635 7.467 0.168 18183 9564 1 16 . 1 1 31 31 SER N N 689 111.039 111.039 112.939 -1.900 18183 9565 1 16 . 1 1 31 31 SER HA H 689 4.417 4.417 4.400 0.017 18183 9566 1 16 . 1 1 31 31 SER C C 689 174.495 174.495 175.080 -0.585 18183 9567 1 16 . 1 1 31 31 SER CA C 689 58.387 58.387 58.251 0.136 18183 9568 1 16 . 1 1 31 31 SER CB C 689 63.281 63.281 64.410 -1.129 18183 9569 1 16 . 1 1 31 31 SER H H 689 7.709 7.709 7.946 -0.237 18183 9570 1 16 . 1 1 32 32 HIS N N 690 120.253 120.253 123.190 -2.937 18183 9571 1 16 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.434 0.142 18183 9572 1 16 . 1 1 32 32 HIS C C 690 173.913 173.913 174.962 -1.049 18183 9573 1 16 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.907 -0.832 18183 9574 1 16 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.261 1.592 18183 9575 1 16 . 1 1 32 32 HIS H H 690 7.647 7.647 7.789 -0.142 18183 9576 1 16 . 1 1 33 33 ALA N N 691 120.403 120.403 123.466 -3.063 18183 9577 1 16 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.513 -0.235 18183 9578 1 16 . 1 1 33 33 ALA C C 691 179.503 179.503 176.652 2.851 18183 9579 1 16 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.398 0.320 18183 9580 1 16 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.582 -0.313 18183 9581 1 16 . 1 1 33 33 ALA H H 691 8.452 8.452 8.621 -0.169 18183 9582 1 16 . 1 1 34 34 SER N N 692 117.464 117.464 116.094 1.370 18183 9583 1 16 . 1 1 34 34 SER HA H 692 4.047 4.047 4.410 -0.363 18183 9584 1 16 . 1 1 34 34 SER C C 692 175.307 175.307 175.411 -0.104 18183 9585 1 16 . 1 1 34 34 SER CA C 692 60.434 60.434 60.434 -0.000 18183 9586 1 16 . 1 1 34 34 SER CB C 692 63.132 63.132 63.047 0.085 18183 9587 1 16 . 1 1 34 34 SER H H 692 9.002 9.002 8.597 0.405 18183 9588 1 16 . 1 1 35 35 GLY N N 693 113.364 113.364 114.193 -0.829 18183 9589 1 16 . 1 1 35 35 GLY C C 693 174.739 174.739 174.048 0.691 18183 9590 1 16 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.090 -0.240 18183 9591 1 16 . 1 1 35 35 GLY H H 693 9.873 9.873 9.234 0.639 18183 9592 1 16 . 1 1 36 36 THR N N 694 120.932 120.932 120.775 0.157 18183 9593 1 16 . 1 1 36 36 THR HA H 694 5.923 5.923 5.349 0.574 18183 9594 1 16 . 1 1 36 36 THR C C 694 173.253 173.253 173.762 -0.509 18183 9595 1 16 . 1 1 36 36 THR CA C 694 63.429 63.429 63.006 0.423 18183 9596 1 16 . 1 1 36 36 THR CB C 694 68.091 68.091 68.963 -0.871 18183 9597 1 16 . 1 1 36 36 THR H H 694 8.240 8.240 7.602 0.638 18183 9598 1 16 . 1 1 37 37 TYR N N 695 123.567 123.567 123.250 0.317 18183 9599 1 16 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.181 0.795 18183 9600 1 16 . 1 1 37 37 TYR C C 695 171.737 171.737 173.227 -1.490 18183 9601 1 16 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.960 0.275 18183 9602 1 16 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.281 3.008 18183 9603 1 16 . 1 1 37 37 TYR H H 695 8.765 8.765 7.943 0.822 18183 9604 1 16 . 1 1 38 38 LEU N N 696 115.294 115.294 117.191 -1.897 18183 9605 1 16 . 1 1 38 38 LEU HA H 696 5.103 5.103 4.990 0.113 18183 9606 1 16 . 1 1 38 38 LEU C C 696 174.368 174.368 174.605 -0.237 18183 9607 1 16 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.645 -0.813 18183 9608 1 16 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.319 -0.025 18183 9609 1 16 . 1 1 38 38 LEU H H 696 9.008 9.008 8.816 0.192 18183 9610 1 16 . 1 1 39 39 ILE N N 697 122.087 122.087 119.513 2.574 18183 9611 1 16 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.846 0.447 18183 9612 1 16 . 1 1 39 39 ILE C C 697 173.625 173.625 174.504 -0.879 18183 9613 1 16 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.458 -0.652 18183 9614 1 16 . 1 1 39 39 ILE CB C 697 38.766 38.766 41.909 -3.143 18183 9615 1 16 . 1 1 39 39 ILE H H 697 9.276 9.276 8.399 0.877 18183 9616 1 16 . 1 1 40 40 ARG N N 698 123.307 123.307 123.636 -0.329 18183 9617 1 16 . 1 1 40 40 ARG HA H 698 5.144 5.144 5.134 0.010 18183 9618 1 16 . 1 1 40 40 ARG C C 698 173.789 173.789 174.403 -0.614 18183 9619 1 16 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.770 -1.599 18183 9620 1 16 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.397 0.029 18183 9621 1 16 . 1 1 40 40 ARG H H 698 9.032 9.032 9.332 -0.300 18183 9622 1 16 . 1 1 41 41 GLU N N 699 122.502 122.502 121.304 1.198 18183 9623 1 16 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.429 0.562 18183 9624 1 16 . 1 1 41 41 GLU C C 699 175.788 175.788 175.298 0.490 18183 9625 1 16 . 1 1 41 41 GLU CA C 699 54.839 54.839 54.899 -0.060 18183 9626 1 16 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.148 0.775 18183 9627 1 16 . 1 1 41 41 GLU H H 699 8.453 8.453 8.413 0.040 18183 9628 1 16 . 1 1 42 42 ARG N N 700 125.039 125.039 121.871 3.168 18183 9629 1 16 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.640 0.014 18183 9630 1 16 . 1 1 42 42 ARG H H 700 8.844 8.844 8.279 0.565 18183 9631 1 16 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.352 -0.137 18183 9632 1 16 . 1 1 43 43 PRO C C 701 176.485 176.485 175.459 1.026 18183 9633 1 16 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.216 0.814 18183 9634 1 16 . 1 1 43 43 PRO CB C 701 31.450 31.450 32.023 -0.573 18183 9635 1 16 . 1 1 44 44 ALA N N 702 120.718 120.718 126.508 -5.790 18183 9636 1 16 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.534 -0.291 18183 9637 1 16 . 1 1 44 44 ALA C C 702 176.924 176.924 176.648 0.276 18183 9638 1 16 . 1 1 44 44 ALA CA C 702 52.068 52.068 52.042 0.026 18183 9639 1 16 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.450 -1.023 18183 9640 1 16 . 1 1 44 44 ALA H H 702 8.217 8.217 8.045 0.172 18183 9641 1 16 . 1 1 45 45 GLU N N 703 118.107 118.107 119.632 -1.525 18183 9642 1 16 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.459 -0.154 18183 9643 1 16 . 1 1 45 45 GLU C C 703 176.308 176.308 177.108 -0.800 18183 9644 1 16 . 1 1 45 45 GLU H H 703 7.638 7.638 8.862 -1.224 18183 9645 1 16 . 1 1 46 46 ALA N N 704 122.161 122.161 123.006 -0.845 18183 9646 1 16 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.422 -0.287 18183 9647 1 16 . 1 1 46 46 ALA C C 704 178.439 178.439 176.453 1.986 18183 9648 1 16 . 1 1 46 46 ALA H H 704 8.596 8.596 7.673 0.923 18183 9649 1 16 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.558 0.088 18183 9650 1 16 . 1 1 47 47 GLU C C 705 175.340 175.340 175.477 -0.137 18183 9651 1 16 . 1 1 47 47 GLU H H 705 7.642 7.642 8.349 -0.707 18183 9652 1 16 . 1 1 48 48 ARG N N 706 122.871 122.871 122.757 0.114 18183 9653 1 16 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.514 0.126 18183 9654 1 16 . 1 1 48 48 ARG C C 706 175.645 175.645 174.525 1.120 18183 9655 1 16 . 1 1 48 48 ARG H H 706 8.163 8.163 8.677 -0.514 18183 9656 1 16 . 1 1 49 49 PHE N N 707 113.719 113.719 121.066 -7.347 18183 9657 1 16 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.590 1.194 18183 9658 1 16 . 1 1 49 49 PHE C C 707 174.536 174.536 174.685 -0.149 18183 9659 1 16 . 1 1 49 49 PHE H H 707 8.370 8.370 7.823 0.547 18183 9660 1 16 . 1 1 50 50 ALA N N 708 119.650 119.650 121.720 -2.070 18183 9661 1 16 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.472 -0.352 18183 9662 1 16 . 1 1 50 50 ALA C C 708 175.964 175.964 175.370 0.594 18183 9663 1 16 . 1 1 50 50 ALA CA C 708 51.013 51.013 51.511 -0.499 18183 9664 1 16 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.738 -0.858 18183 9665 1 16 . 1 1 50 50 ALA H H 708 8.868 8.868 8.681 0.187 18183 9666 1 16 . 1 1 51 51 ILE N N 709 121.077 121.077 121.921 -0.844 18183 9667 1 16 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.668 -0.021 18183 9668 1 16 . 1 1 51 51 ILE C C 709 175.049 175.049 174.692 0.357 18183 9669 1 16 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.333 0.166 18183 9670 1 16 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.615 -0.620 18183 9671 1 16 . 1 1 51 51 ILE H H 709 9.130 9.130 9.139 -0.009 18183 9672 1 16 . 1 1 52 52 SER N N 710 125.122 125.122 122.716 2.406 18183 9673 1 16 . 1 1 52 52 SER HA H 710 5.454 5.454 5.107 0.347 18183 9674 1 16 . 1 1 52 52 SER C C 710 172.024 172.024 172.924 -0.900 18183 9675 1 16 . 1 1 52 52 SER CA C 710 57.614 57.614 56.450 1.164 18183 9676 1 16 . 1 1 52 52 SER CB C 710 64.989 64.989 64.390 0.599 18183 9677 1 16 . 1 1 52 52 SER H H 710 9.204 9.204 8.590 0.614 18183 9678 1 16 . 1 1 53 53 ILE N N 711 121.512 121.512 125.174 -3.662 18183 9679 1 16 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.879 0.260 18183 9680 1 16 . 1 1 53 53 ILE C C 711 173.093 173.093 173.282 -0.189 18183 9681 1 16 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.110 -1.477 18183 9682 1 16 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.929 -0.106 18183 9683 1 16 . 1 1 53 53 ILE H H 711 8.825 8.825 7.979 0.846 18183 9684 1 16 . 1 1 54 54 LYS N N 712 128.814 128.814 124.473 4.341 18183 9685 1 16 . 1 1 54 54 LYS HA H 712 4.755 4.755 4.827 -0.072 18183 9686 1 16 . 1 1 54 54 LYS C C 712 174.850 174.850 174.793 0.057 18183 9687 1 16 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.492 -0.247 18183 9688 1 16 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.632 -0.298 18183 9689 1 16 . 1 1 54 54 LYS H H 712 8.863 8.863 8.870 -0.007 18183 9690 1 16 . 1 1 55 55 PHE N N 713 130.119 130.119 125.553 4.566 18183 9691 1 16 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.705 0.163 18183 9692 1 16 . 1 1 55 55 PHE C C 713 174.223 174.223 174.146 0.077 18183 9693 1 16 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.891 0.258 18183 9694 1 16 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.328 -1.726 18183 9695 1 16 . 1 1 55 55 PHE H H 713 9.373 9.373 8.468 0.905 18183 9696 1 16 . 1 1 56 56 ASN N N 714 125.766 125.766 124.575 1.191 18183 9697 1 16 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.144 -0.246 18183 9698 1 16 . 1 1 56 56 ASN C C 714 173.945 173.945 174.804 -0.859 18183 9699 1 16 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.458 0.548 18183 9700 1 16 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.799 -1.837 18183 9701 1 16 . 1 1 56 56 ASN H H 714 8.364 8.364 8.671 -0.307 18183 9702 1 16 . 1 1 57 57 ASP N N 715 117.708 117.708 114.647 3.061 18183 9703 1 16 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.268 0.283 18183 9704 1 16 . 1 1 57 57 ASP C C 715 174.766 174.766 174.774 -0.008 18183 9705 1 16 . 1 1 57 57 ASP CA C 715 55.045 55.045 56.078 -1.033 18183 9706 1 16 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.515 0.062 18183 9707 1 16 . 1 1 57 57 ASP H H 715 8.536 8.536 8.487 0.049 18183 9708 1 16 . 1 1 58 58 GLU N N 716 118.715 118.715 116.486 2.229 18183 9709 1 16 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.624 0.041 18183 9710 1 16 . 1 1 58 58 GLU C C 716 173.786 173.786 174.470 -0.684 18183 9711 1 16 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.129 -0.187 18183 9712 1 16 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.243 -0.080 18183 9713 1 16 . 1 1 58 58 GLU H H 716 7.873 7.873 7.750 0.123 18183 9714 1 16 . 1 1 59 59 VAL N N 717 120.798 120.798 123.359 -2.561 18183 9715 1 16 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.526 -0.153 18183 9716 1 16 . 1 1 59 59 VAL C C 717 175.325 175.325 176.449 -1.124 18183 9717 1 16 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.812 0.127 18183 9718 1 16 . 1 1 59 59 VAL CB C 717 32.017 32.017 30.491 1.526 18183 9719 1 16 . 1 1 59 59 VAL H H 717 8.473 8.473 8.860 -0.387 18183 9720 1 16 . 1 1 60 60 LYS N N 718 127.136 127.136 127.759 -0.623 18183 9721 1 16 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.460 -0.029 18183 9722 1 16 . 1 1 60 60 LYS C C 718 174.439 174.439 175.042 -0.603 18183 9723 1 16 . 1 1 60 60 LYS CA C 718 52.809 52.809 55.636 -2.827 18183 9724 1 16 . 1 1 60 60 LYS CB C 718 33.105 33.105 33.810 -0.705 18183 9725 1 16 . 1 1 60 60 LYS H H 718 8.903 8.903 8.187 0.716 18183 9726 1 16 . 1 1 61 61 HIS N N 719 119.956 119.956 117.465 2.491 18183 9727 1 16 . 1 1 61 61 HIS HA H 719 5.223 5.223 5.154 0.069 18183 9728 1 16 . 1 1 61 61 HIS C C 719 175.173 175.173 174.783 0.390 18183 9729 1 16 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.501 -0.341 18183 9730 1 16 . 1 1 61 61 HIS CB C 719 32.882 32.882 31.766 1.116 18183 9731 1 16 . 1 1 61 61 HIS H H 719 8.422 8.422 8.365 0.057 18183 9732 1 16 . 1 1 62 62 ILE N N 720 126.629 126.629 125.342 1.287 18183 9733 1 16 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.366 -0.230 18183 9734 1 16 . 1 1 62 62 ILE C C 720 175.372 175.372 175.283 0.089 18183 9735 1 16 . 1 1 62 62 ILE CA C 720 59.976 59.976 60.307 -0.331 18183 9736 1 16 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.847 1.181 18183 9737 1 16 . 1 1 62 62 ILE H H 720 9.646 9.646 9.110 0.536 18183 9738 1 16 . 1 1 63 63 LYS N N 721 127.276 127.276 127.643 -0.367 18183 9739 1 16 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.703 -0.476 18183 9740 1 16 . 1 1 63 63 LYS C C 721 174.877 174.877 175.727 -0.850 18183 9741 1 16 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.374 2.166 18183 9742 1 16 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.230 -0.181 18183 9743 1 16 . 1 1 63 63 LYS H H 721 8.741 8.741 8.742 -0.001 18183 9744 1 16 . 1 1 64 64 VAL N N 722 123.343 123.343 123.774 -0.431 18183 9745 1 16 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.463 -0.290 18183 9746 1 16 . 1 1 64 64 VAL C C 722 174.522 174.522 175.128 -0.606 18183 9747 1 16 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.652 0.843 18183 9748 1 16 . 1 1 64 64 VAL CB C 722 30.392 30.392 34.545 -4.153 18183 9749 1 16 . 1 1 64 64 VAL H H 722 8.166 8.166 8.014 0.152 18183 9750 1 16 . 1 1 65 65 VAL N N 723 127.934 127.934 123.216 4.718 18183 9751 1 16 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.389 -0.243 18183 9752 1 16 . 1 1 65 65 VAL C C 723 174.212 174.212 174.362 -0.150 18183 9753 1 16 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.713 1.038 18183 9754 1 16 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.329 -0.050 18183 9755 1 16 . 1 1 65 65 VAL H H 723 8.469 8.469 8.580 -0.111 18183 9756 1 16 . 1 1 66 66 GLU N N 724 125.632 125.632 129.178 -3.546 18183 9757 1 16 . 1 1 66 66 GLU HA H 724 5.156 5.156 4.575 0.581 18183 9758 1 16 . 1 1 66 66 GLU C C 724 175.573 175.573 176.042 -0.469 18183 9759 1 16 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.918 -1.361 18183 9760 1 16 . 1 1 66 66 GLU CB C 724 32.441 32.441 29.789 2.652 18183 9761 1 16 . 1 1 66 66 GLU H H 724 8.518 8.518 8.820 -0.303 18183 9762 1 16 . 1 1 67 67 LYS N N 725 125.857 125.857 125.773 0.084 18183 9763 1 16 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.399 0.053 18183 9764 1 16 . 1 1 67 67 LYS C C 725 175.624 175.624 177.418 -1.794 18183 9765 1 16 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.858 0.396 18183 9766 1 16 . 1 1 67 67 LYS CB C 725 35.041 35.041 33.266 1.775 18183 9767 1 16 . 1 1 67 67 LYS H H 725 8.671 8.671 8.244 0.427 18183 9768 1 16 . 1 1 68 68 ASP N N 726 127.302 127.302 119.426 7.876 18183 9769 1 16 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.488 -0.297 18183 9770 1 16 . 1 1 68 68 ASP C C 726 174.291 174.291 176.903 -2.612 18183 9771 1 16 . 1 1 68 68 ASP CA C 726 56.022 56.022 56.742 -0.720 18183 9772 1 16 . 1 1 68 68 ASP CB C 726 39.391 39.391 41.378 -1.987 18183 9773 1 16 . 1 1 68 68 ASP H H 726 9.485 9.485 8.688 0.797 18183 9774 1 16 . 1 1 69 69 ASN N N 727 110.250 110.250 114.204 -3.954 18183 9775 1 16 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.783 -0.560 18183 9776 1 16 . 1 1 69 69 ASN C C 727 173.825 173.825 173.132 0.693 18183 9777 1 16 . 1 1 69 69 ASN CA C 727 54.672 54.672 52.780 1.892 18183 9778 1 16 . 1 1 69 69 ASN CB C 727 37.344 37.344 39.209 -1.865 18183 9779 1 16 . 1 1 69 69 ASN H H 727 8.344 8.344 8.594 -0.250 18183 9780 1 16 . 1 1 70 70 TRP N N 728 119.098 119.098 118.094 1.004 18183 9781 1 16 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.180 0.136 18183 9782 1 16 . 1 1 70 70 TRP C C 728 174.989 174.989 174.798 0.191 18183 9783 1 16 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.178 0.534 18183 9784 1 16 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.422 0.921 18183 9785 1 16 . 1 1 70 70 TRP H H 728 8.050 8.050 7.626 0.424 18183 9786 1 16 . 1 1 71 71 ILE N N 729 121.706 121.706 120.150 1.556 18183 9787 1 16 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.235 0.277 18183 9788 1 16 . 1 1 71 71 ILE C C 729 175.265 175.265 173.804 1.461 18183 9789 1 16 . 1 1 71 71 ILE CA C 729 58.794 58.794 60.698 -1.904 18183 9790 1 16 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.456 -0.365 18183 9791 1 16 . 1 1 71 71 ILE H H 729 9.298 9.298 9.385 -0.087 18183 9792 1 16 . 1 1 72 72 HIS N N 730 121.063 121.063 123.079 -2.016 18183 9793 1 16 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.270 -0.119 18183 9794 1 16 . 1 1 72 72 HIS C C 730 173.774 173.774 173.976 -0.202 18183 9795 1 16 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.524 0.995 18183 9796 1 16 . 1 1 72 72 HIS CB C 730 32.509 32.509 32.579 -0.070 18183 9797 1 16 . 1 1 72 72 HIS H H 730 9.024 9.024 8.237 0.787 18183 9798 1 16 . 1 1 73 73 ILE N N 731 112.363 112.363 115.208 -2.845 18183 9799 1 16 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.789 0.107 18183 9800 1 16 . 1 1 73 73 ILE CA C 731 62.302 62.302 61.676 0.626 18183 9801 1 16 . 1 1 73 73 ILE CB C 731 39.387 39.387 39.125 0.262 18183 9802 1 16 . 1 1 73 73 ILE H H 731 9.425 9.425 9.121 0.304 18183 9803 1 16 . 1 1 74 74 THR N N 732 117.292 117.292 113.251 4.041 18183 9804 1 16 . 1 1 74 74 THR HA H 732 4.679 4.679 4.633 0.046 18183 9805 1 16 . 1 1 74 74 THR C C 732 173.467 173.467 173.665 -0.198 18183 9806 1 16 . 1 1 74 74 THR CA C 732 59.795 59.795 60.754 -0.959 18183 9807 1 16 . 1 1 74 74 THR CB C 732 69.896 69.896 70.953 -1.057 18183 9808 1 16 . 1 1 74 74 THR H H 732 8.421 8.421 7.821 0.600 18183 9809 1 16 . 1 1 75 75 GLU N N 733 123.689 123.689 120.789 2.900 18183 9810 1 16 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.313 -1.339 18183 9811 1 16 . 1 1 75 75 GLU C C 733 175.819 175.819 175.674 0.145 18183 9812 1 16 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.967 1.931 18183 9813 1 16 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.518 -0.527 18183 9814 1 16 . 1 1 75 75 GLU H H 733 8.615 8.615 8.825 -0.210 18183 9815 1 16 . 1 1 76 76 ALA N N 734 117.705 117.705 121.630 -3.925 18183 9816 1 16 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.445 -0.533 18183 9817 1 16 . 1 1 76 76 ALA C C 734 177.024 177.024 177.422 -0.398 18183 9818 1 16 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.762 0.500 18183 9819 1 16 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.063 -0.266 18183 9820 1 16 . 1 1 76 76 ALA H H 734 7.654 7.654 8.278 -0.624 18183 9821 1 16 . 1 1 77 77 LYS N N 735 119.239 119.239 118.642 0.597 18183 9822 1 16 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.442 -0.351 18183 9823 1 16 . 1 1 77 77 LYS C C 735 172.048 172.048 174.113 -2.065 18183 9824 1 16 . 1 1 77 77 LYS CA C 735 54.373 54.373 56.196 -1.823 18183 9825 1 16 . 1 1 77 77 LYS CB C 735 33.343 33.343 36.346 -3.003 18183 9826 1 16 . 1 1 77 77 LYS H H 735 7.214 7.214 8.317 -1.103 18183 9827 1 16 . 1 1 78 78 LYS N N 736 123.194 123.194 122.227 0.967 18183 9828 1 16 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.932 -0.195 18183 9829 1 16 . 1 1 78 78 LYS C C 736 174.901 174.901 175.004 -0.103 18183 9830 1 16 . 1 1 78 78 LYS CA C 736 54.703 54.703 54.890 -0.187 18183 9831 1 16 . 1 1 78 78 LYS CB C 736 35.093 35.093 34.464 0.629 18183 9832 1 16 . 1 1 78 78 LYS H H 736 7.850 7.850 8.079 -0.229 18183 9833 1 16 . 1 1 79 79 PHE N N 737 117.645 117.645 121.119 -3.474 18183 9834 1 16 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.875 0.051 18183 9835 1 16 . 1 1 79 79 PHE C C 737 175.500 175.500 175.139 0.361 18183 9836 1 16 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.093 -0.180 18183 9837 1 16 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.942 0.526 18183 9838 1 16 . 1 1 79 79 PHE H H 737 9.079 9.079 8.970 0.109 18183 9839 1 16 . 1 1 80 80 ASP N N 738 119.264 119.264 119.146 0.118 18183 9840 1 16 . 1 1 80 80 ASP HA H 738 4.717 4.717 4.664 0.053 18183 9841 1 16 . 1 1 80 80 ASP C C 738 176.014 176.014 176.330 -0.316 18183 9842 1 16 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.634 0.011 18183 9843 1 16 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.964 -0.244 18183 9844 1 16 . 1 1 80 80 ASP H H 738 9.332 9.332 8.720 0.612 18183 9845 1 16 . 1 1 81 81 SER N N 739 108.541 108.541 112.364 -3.823 18183 9846 1 16 . 1 1 81 81 SER HA H 739 4.649 4.649 4.745 -0.096 18183 9847 1 16 . 1 1 81 81 SER C C 739 173.719 173.719 174.571 -0.852 18183 9848 1 16 . 1 1 81 81 SER CA C 739 57.148 57.148 56.868 0.280 18183 9849 1 16 . 1 1 81 81 SER CB C 739 66.475 66.475 66.625 -0.150 18183 9850 1 16 . 1 1 81 81 SER H H 739 7.379 7.379 7.811 -0.432 18183 9851 1 16 . 1 1 82 82 LEU N N 740 122.926 122.926 123.787 -0.861 18183 9852 1 16 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.971 -0.215 18183 9853 1 16 . 1 1 82 82 LEU C C 740 177.267 177.267 177.964 -0.697 18183 9854 1 16 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.265 -0.431 18183 9855 1 16 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.749 -1.167 18183 9856 1 16 . 1 1 82 82 LEU H H 740 8.939 8.939 8.660 0.279 18183 9857 1 16 . 1 1 83 83 LEU N N 741 116.722 116.722 117.532 -0.810 18183 9858 1 16 . 1 1 83 83 LEU HA H 741 3.775 3.775 4.171 -0.396 18183 9859 1 16 . 1 1 83 83 LEU C C 741 177.528 177.528 178.418 -0.890 18183 9860 1 16 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.173 -0.034 18183 9861 1 16 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.477 0.200 18183 9862 1 16 . 1 1 83 83 LEU H H 741 7.814 7.814 8.059 -0.245 18183 9863 1 16 . 1 1 84 84 GLU N N 742 116.747 116.747 119.683 -2.936 18183 9864 1 16 . 1 1 84 84 GLU HA H 742 3.867 3.867 4.025 -0.158 18183 9865 1 16 . 1 1 84 84 GLU C C 742 178.282 178.282 178.762 -0.480 18183 9866 1 16 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.197 -0.058 18183 9867 1 16 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.629 0.804 18183 9868 1 16 . 1 1 84 84 GLU H H 742 7.541 7.541 7.618 -0.077 18183 9869 1 16 . 1 1 85 85 LEU N N 743 122.157 122.157 120.824 1.333 18183 9870 1 16 . 1 1 85 85 LEU HA H 743 1.963 1.963 1.899 0.064 18183 9871 1 16 . 1 1 85 85 LEU C C 743 177.315 177.315 178.274 -0.959 18183 9872 1 16 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.504 1.235 18183 9873 1 16 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.688 0.027 18183 9874 1 16 . 1 1 85 85 LEU H H 743 7.076 7.076 7.753 -0.677 18183 9875 1 16 . 1 1 86 86 VAL N N 744 119.754 119.754 117.942 1.812 18183 9876 1 16 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.449 -0.659 18183 9877 1 16 . 1 1 86 86 VAL C C 744 177.621 177.621 178.339 -0.718 18183 9878 1 16 . 1 1 86 86 VAL CA C 744 66.844 66.844 65.703 1.141 18183 9879 1 16 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.253 0.712 18183 9880 1 16 . 1 1 86 86 VAL H H 744 8.116 8.116 7.712 0.404 18183 9881 1 16 . 1 1 87 87 GLU N N 745 116.169 116.169 120.009 -3.840 18183 9882 1 16 . 1 1 87 87 GLU HA H 745 3.715 3.715 4.014 -0.299 18183 9883 1 16 . 1 1 87 87 GLU C C 745 179.560 179.560 179.107 0.453 18183 9884 1 16 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.810 -0.488 18183 9885 1 16 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.326 -0.240 18183 9886 1 16 . 1 1 87 87 GLU H H 745 8.168 8.168 7.574 0.594 18183 9887 1 16 . 1 1 88 88 TYR N N 746 120.022 120.022 120.315 -0.293 18183 9888 1 16 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.058 0.035 18183 9889 1 16 . 1 1 88 88 TYR C C 746 180.010 180.010 178.081 1.929 18183 9890 1 16 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.957 0.637 18183 9891 1 16 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.722 0.106 18183 9892 1 16 . 1 1 88 88 TYR H H 746 7.774 7.774 7.678 0.096 18183 9893 1 16 . 1 1 89 89 TYR N N 747 118.480 118.480 117.225 1.255 18183 9894 1 16 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.252 0.803 18183 9895 1 16 . 1 1 89 89 TYR C C 747 175.796 175.796 178.255 -2.459 18183 9896 1 16 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.377 -0.240 18183 9897 1 16 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.677 -0.747 18183 9898 1 16 . 1 1 89 89 TYR H H 747 7.782 7.782 7.978 -0.196 18183 9899 1 16 . 1 1 90 90 GLN N N 748 118.696 118.696 118.240 0.456 18183 9900 1 16 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.621 0.768 18183 9901 1 16 . 1 1 90 90 GLN C C 748 177.777 177.777 177.123 0.654 18183 9902 1 16 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.218 -1.501 18183 9903 1 16 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.570 -0.050 18183 9904 1 16 . 1 1 90 90 GLN H H 748 7.838 7.838 8.226 -0.388 18183 9905 1 16 . 1 1 91 91 CYS N N 749 111.118 111.118 113.688 -2.570 18183 9906 1 16 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.330 0.272 18183 9907 1 16 . 1 1 91 91 CYS C C 749 172.887 172.887 175.446 -2.559 18183 9908 1 16 . 1 1 91 91 CYS CA C 749 57.434 57.434 59.197 -1.763 18183 9909 1 16 . 1 1 91 91 CYS CB C 749 29.266 29.266 27.980 1.286 18183 9910 1 16 . 1 1 91 91 CYS H H 749 7.145 7.145 7.494 -0.349 18183 9911 1 16 . 1 1 92 92 HIS N N 750 120.227 120.227 119.049 1.178 18183 9912 1 16 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.485 -0.153 18183 9913 1 16 . 1 1 92 92 HIS C C 750 171.842 171.842 173.853 -2.011 18183 9914 1 16 . 1 1 92 92 HIS CA C 750 55.077 55.077 56.059 -0.982 18183 9915 1 16 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.459 -2.083 18183 9916 1 16 . 1 1 92 92 HIS H H 750 7.470 7.470 7.822 -0.352 18183 9917 1 16 . 1 1 93 93 SER N N 751 113.120 113.120 113.315 -0.195 18183 9918 1 16 . 1 1 93 93 SER HA H 751 3.782 3.782 4.469 -0.687 18183 9919 1 16 . 1 1 93 93 SER C C 751 176.653 176.653 175.540 1.113 18183 9920 1 16 . 1 1 93 93 SER CA C 751 57.812 57.812 57.029 0.783 18183 9921 1 16 . 1 1 93 93 SER CB C 751 62.783 62.783 64.386 -1.603 18183 9922 1 16 . 1 1 93 93 SER H H 751 8.404 8.404 8.060 0.344 18183 9923 1 16 . 1 1 94 94 LEU N N 752 127.293 127.293 123.035 4.258 18183 9924 1 16 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.657 -0.588 18183 9925 1 16 . 1 1 94 94 LEU C C 752 177.524 177.524 176.869 0.655 18183 9926 1 16 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.674 2.722 18183 9927 1 16 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.757 1.730 18183 9928 1 16 . 1 1 94 94 LEU H H 752 8.553 8.553 8.408 0.145 18183 9929 1 16 . 1 1 95 95 LYS N N 753 122.249 122.249 119.031 3.218 18183 9930 1 16 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.656 -0.328 18183 9931 1 16 . 1 1 95 95 LYS C C 753 176.426 176.426 178.332 -1.906 18183 9932 1 16 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.237 -0.683 18183 9933 1 16 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.785 0.389 18183 9934 1 16 . 1 1 95 95 LYS H H 753 8.303 8.303 8.124 0.179 18183 9935 1 16 . 1 1 96 96 GLU N N 754 115.401 115.401 119.116 -3.715 18183 9936 1 16 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.106 -0.021 18183 9937 1 16 . 1 1 96 96 GLU C C 754 176.838 176.838 177.700 -0.862 18183 9938 1 16 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.947 -0.849 18183 9939 1 16 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.401 0.099 18183 9940 1 16 . 1 1 96 96 GLU H H 754 7.188 7.188 8.592 -1.404 18183 9941 1 16 . 1 1 97 97 SER N N 755 113.852 113.852 113.179 0.673 18183 9942 1 16 . 1 1 97 97 SER HA H 755 4.402 4.402 4.463 -0.061 18183 9943 1 16 . 1 1 97 97 SER C C 755 172.067 172.067 174.639 -2.572 18183 9944 1 16 . 1 1 97 97 SER CA C 755 59.448 59.448 60.433 -0.985 18183 9945 1 16 . 1 1 97 97 SER CB C 755 65.680 65.680 64.373 1.307 18183 9946 1 16 . 1 1 97 97 SER H H 755 7.838 7.838 8.354 -0.516 18183 9947 1 16 . 1 1 98 98 PHE N N 756 121.742 121.742 121.594 0.148 18183 9948 1 16 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.807 -0.237 18183 9949 1 16 . 1 1 98 98 PHE C C 756 174.941 174.941 175.607 -0.666 18183 9950 1 16 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.189 0.559 18183 9951 1 16 . 1 1 98 98 PHE CB C 756 40.281 40.281 38.803 1.478 18183 9952 1 16 . 1 1 98 98 PHE H H 756 8.223 8.223 8.560 -0.337 18183 9953 1 16 . 1 1 99 99 LYS N N 757 122.713 122.713 125.893 -3.180 18183 9954 1 16 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.181 -0.110 18183 9955 1 16 . 1 1 99 99 LYS C C 757 176.793 176.793 177.166 -0.373 18183 9956 1 16 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.834 0.323 18183 9957 1 16 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.133 0.200 18183 9958 1 16 . 1 1 99 99 LYS H H 757 8.388 8.388 8.672 -0.284 18183 9959 1 16 . 1 1 100 100 GLN N N 758 114.972 114.972 117.382 -2.410 18183 9960 1 16 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.207 -0.046 18183 9961 1 16 . 1 1 100 100 GLN C C 758 175.591 175.591 176.064 -0.473 18183 9962 1 16 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.037 0.432 18183 9963 1 16 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.388 -0.401 18183 9964 1 16 . 1 1 100 100 GLN H H 758 8.662 8.662 8.302 0.360 18183 9965 1 16 . 1 1 101 101 LEU N N 759 124.472 124.472 121.949 2.523 18183 9966 1 16 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.595 -0.916 18183 9967 1 16 . 1 1 101 101 LEU C C 759 173.228 173.228 175.257 -2.029 18183 9968 1 16 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.929 -2.604 18183 9969 1 16 . 1 1 101 101 LEU CB C 759 41.512 41.512 44.147 -2.635 18183 9970 1 16 . 1 1 101 101 LEU H H 759 7.884 7.884 7.818 0.066 18183 9971 1 16 . 1 1 102 102 ASP N N 760 119.321 119.321 115.203 4.118 18183 9972 1 16 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.680 -0.195 18183 9973 1 16 . 1 1 102 102 ASP C C 760 173.467 173.467 174.520 -1.053 18183 9974 1 16 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.358 -1.233 18183 9975 1 16 . 1 1 102 102 ASP CB C 760 39.028 39.028 41.814 -2.786 18183 9976 1 16 . 1 1 102 102 ASP H H 760 6.594 6.594 8.359 -1.765 18183 9977 1 16 . 1 1 103 103 THR N N 761 117.213 117.213 113.822 3.391 18183 9978 1 16 . 1 1 103 103 THR HA H 761 4.643 4.643 4.336 0.307 18183 9979 1 16 . 1 1 103 103 THR C C 761 172.158 172.158 173.257 -1.099 18183 9980 1 16 . 1 1 103 103 THR CA C 761 60.197 60.197 60.392 -0.195 18183 9981 1 16 . 1 1 103 103 THR CB C 761 69.046 69.046 69.843 -0.797 18183 9982 1 16 . 1 1 103 103 THR H H 761 7.637 7.637 7.315 0.322 18183 9983 1 16 . 1 1 104 104 THR N N 762 114.193 114.193 113.548 0.645 18183 9984 1 16 . 1 1 104 104 THR HA H 762 4.569 4.569 4.378 0.191 18183 9985 1 16 . 1 1 104 104 THR C C 762 175.698 175.698 174.058 1.640 18183 9986 1 16 . 1 1 104 104 THR CA C 762 60.808 60.808 59.497 1.311 18183 9987 1 16 . 1 1 104 104 THR CB C 762 70.636 70.636 71.470 -0.834 18183 9988 1 16 . 1 1 104 104 THR H H 762 7.284 7.284 7.916 -0.632 18183 9989 1 16 . 1 1 105 105 LEU N N 763 117.473 117.473 122.591 -5.118 18183 9990 1 16 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.649 -0.186 18183 9991 1 16 . 1 1 105 105 LEU C C 763 174.348 174.348 176.364 -2.016 18183 9992 1 16 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.199 -1.216 18183 9993 1 16 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.886 -4.203 18183 9994 1 16 . 1 1 105 105 LEU H H 763 8.093 8.093 8.087 0.006 18183 9995 1 16 . 1 1 106 106 LYS N N 764 127.491 127.491 122.912 4.579 18183 9996 1 16 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.297 -0.339 18183 9997 1 16 . 1 1 106 106 LYS C C 764 176.734 176.734 176.164 0.570 18183 9998 1 16 . 1 1 106 106 LYS CA C 764 59.696 59.696 56.735 2.961 18183 9999 1 16 . 1 1 106 106 LYS CB C 764 35.167 35.167 34.322 0.845 18183 10000 1 16 . 1 1 106 106 LYS H H 764 7.118 7.118 7.821 -0.703 18183 10001 1 16 . 1 1 107 107 TYR N N 765 115.804 115.804 118.823 -3.019 18183 10002 1 16 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.946 0.518 18183 10003 1 16 . 1 1 107 107 TYR C C 765 172.048 172.048 173.251 -1.203 18183 10004 1 16 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.927 -2.408 18183 10005 1 16 . 1 1 107 107 TYR CB C 765 40.376 40.376 37.977 2.399 18183 10006 1 16 . 1 1 107 107 TYR H H 765 7.848 7.848 7.383 0.465 18183 10007 1 16 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.121 -0.495 18183 10008 1 16 . 1 1 108 108 PRO C C 766 180.469 180.469 177.058 3.411 18183 10009 1 16 . 1 1 109 109 TYR N N 767 122.791 122.791 124.724 -1.933 18183 10010 1 16 . 1 1 109 109 TYR HA H 767 3.784 3.784 3.919 -0.135 18183 10011 1 16 . 1 1 109 109 TYR C C 767 174.575 174.575 175.300 -0.725 18183 10012 1 16 . 1 1 109 109 TYR CA C 767 60.986 60.986 61.861 -0.875 18183 10013 1 16 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.195 0.431 18183 10014 1 16 . 1 1 109 109 TYR H H 767 8.306 8.306 8.297 0.009 18183 10015 1 16 . 1 1 110 110 LYS N N 768 118.817 118.817 118.697 0.120 18183 10016 1 16 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.341 -0.438 18183 10017 1 16 . 1 1 110 110 LYS C C 768 176.259 176.259 176.703 -0.444 18183 10018 1 16 . 1 1 110 110 LYS CA C 768 56.595 56.595 57.149 -0.554 18183 10019 1 16 . 1 1 110 110 LYS CB C 768 32.605 32.605 33.767 -1.163 18183 10020 1 16 . 1 1 110 110 LYS H H 768 6.785 6.785 8.636 -1.851 18183 10021 1 16 . 1 1 111 111 SER N N 769 114.539 114.539 114.983 -0.444 18183 10022 1 16 . 1 1 111 111 SER HA H 769 4.317 4.317 4.645 -0.328 18183 10023 1 16 . 1 1 111 111 SER C C 769 174.092 174.092 173.202 0.890 18183 10024 1 16 . 1 1 111 111 SER CA C 769 58.647 58.647 59.089 -0.442 18183 10025 1 16 . 1 1 111 111 SER CB C 769 63.883 63.883 64.609 -0.726 18183 10026 1 16 . 1 1 111 111 SER H H 769 7.765 7.765 8.161 -0.396 18183 10027 1 16 . 1 1 112 112 ARG N N 770 122.458 122.458 121.947 0.511 18183 10028 1 16 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.697 -0.375 18183 10029 1 16 . 1 1 112 112 ARG C C 770 175.130 175.130 174.887 0.243 18183 10030 1 16 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.523 0.141 18183 10031 1 16 . 1 1 112 112 ARG CB C 770 30.880 30.880 31.078 -0.198 18183 10032 1 16 . 1 1 112 112 ARG H H 770 8.082 8.082 8.453 -0.371 18183 10033 1 17 . 1 1 2 2 ARG N N 660 123.546 123.546 122.651 0.895 18183 10034 1 17 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.523 0.053 18183 10035 1 17 . 1 1 2 2 ARG CA C 660 53.850 53.850 55.165 -1.315 18183 10036 1 17 . 1 1 2 2 ARG CB C 660 30.347 30.347 31.646 -1.299 18183 10037 1 17 . 1 1 2 2 ARG H H 660 8.258 8.258 8.529 -0.271 18183 10038 1 17 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.605 -0.249 18183 10039 1 17 . 1 1 4 4 PRO C C 662 177.047 177.047 176.218 0.829 18183 10040 1 17 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.629 0.592 18183 10041 1 17 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.675 -0.699 18183 10042 1 17 . 1 1 5 5 SER N N 663 116.108 116.108 114.013 2.095 18183 10043 1 17 . 1 1 5 5 SER HA H 663 4.335 4.335 4.456 -0.121 18183 10044 1 17 . 1 1 5 5 SER C C 663 174.708 174.708 174.532 0.176 18183 10045 1 17 . 1 1 5 5 SER CA C 663 58.639 58.639 59.769 -1.130 18183 10046 1 17 . 1 1 5 5 SER CB C 663 63.849 63.849 63.326 0.523 18183 10047 1 17 . 1 1 5 5 SER H H 663 8.385 8.385 8.441 -0.056 18183 10048 1 17 . 1 1 6 6 ARG N N 664 122.132 122.132 120.194 1.938 18183 10049 1 17 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.585 -0.266 18183 10050 1 17 . 1 1 6 6 ARG C C 664 175.951 175.951 175.330 0.621 18183 10051 1 17 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.509 -0.578 18183 10052 1 17 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.358 0.474 18183 10053 1 17 . 1 1 6 6 ARG H H 664 8.347 8.347 8.357 -0.010 18183 10054 1 17 . 1 1 7 7 GLU N N 665 122.268 122.268 120.462 1.806 18183 10055 1 17 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.426 -0.164 18183 10056 1 17 . 1 1 7 7 GLU C C 665 175.809 175.809 175.771 0.038 18183 10057 1 17 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.724 0.446 18183 10058 1 17 . 1 1 7 7 GLU CB C 665 29.908 29.908 29.829 0.079 18183 10059 1 17 . 1 1 7 7 GLU H H 665 8.336 8.336 8.258 0.078 18183 10060 1 17 . 1 1 8 8 ILE N N 666 123.984 123.984 120.081 3.903 18183 10061 1 17 . 1 1 8 8 ILE HA H 666 3.780 3.780 3.853 -0.073 18183 10062 1 17 . 1 1 8 8 ILE C C 666 174.325 174.325 175.271 -0.946 18183 10063 1 17 . 1 1 8 8 ILE CA C 666 60.809 60.809 62.008 -1.199 18183 10064 1 17 . 1 1 8 8 ILE CB C 666 39.233 39.233 37.835 1.398 18183 10065 1 17 . 1 1 8 8 ILE H H 666 7.920 7.920 7.402 0.518 18183 10066 1 17 . 1 1 9 9 ASP N N 667 124.228 124.228 125.854 -1.626 18183 10067 1 17 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.542 0.026 18183 10068 1 17 . 1 1 9 9 ASP C C 667 177.001 177.001 176.249 0.752 18183 10069 1 17 . 1 1 9 9 ASP CA C 667 51.991 51.991 52.790 -0.799 18183 10070 1 17 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.158 1.152 18183 10071 1 17 . 1 1 9 9 ASP H H 667 8.072 8.072 8.572 -0.500 18183 10072 1 17 . 1 1 10 10 TYR N N 668 125.329 125.329 120.746 4.583 18183 10073 1 17 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.031 0.097 18183 10074 1 17 . 1 1 10 10 TYR C C 668 175.901 175.901 177.359 -1.458 18183 10075 1 17 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.697 -0.140 18183 10076 1 17 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.167 -1.001 18183 10077 1 17 . 1 1 10 10 TYR H H 668 8.493 8.493 7.205 1.288 18183 10078 1 17 . 1 1 11 11 THR N N 669 108.533 108.533 112.020 -3.487 18183 10079 1 17 . 1 1 11 11 THR HA H 669 4.082 4.082 3.854 0.228 18183 10080 1 17 . 1 1 11 11 THR C C 669 175.170 175.170 175.457 -0.287 18183 10081 1 17 . 1 1 11 11 THR CA C 669 64.701 64.701 64.610 0.091 18183 10082 1 17 . 1 1 11 11 THR CB C 669 68.924 68.924 67.885 1.039 18183 10083 1 17 . 1 1 11 11 THR H H 669 7.948 7.948 7.841 0.107 18183 10084 1 17 . 1 1 12 12 ALA N N 670 121.252 121.252 122.643 -1.391 18183 10085 1 17 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.101 -0.078 18183 10086 1 17 . 1 1 12 12 ALA C C 670 177.747 177.747 177.628 0.119 18183 10087 1 17 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.039 -0.540 18183 10088 1 17 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.617 0.610 18183 10089 1 17 . 1 1 12 12 ALA H H 670 7.366 7.366 7.394 -0.028 18183 10090 1 17 . 1 1 13 13 TYR N N 671 117.895 117.895 117.838 0.057 18183 10091 1 17 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.245 0.007 18183 10092 1 17 . 1 1 13 13 TYR C C 671 176.545 176.545 175.359 1.186 18183 10093 1 17 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.959 0.513 18183 10094 1 17 . 1 1 13 13 TYR CB C 671 36.559 36.559 36.991 -0.432 18183 10095 1 17 . 1 1 13 13 TYR H H 671 7.490 7.490 7.353 0.137 18183 10096 1 17 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.354 -0.054 18183 10097 1 17 . 1 1 14 14 PRO C C 672 173.638 173.638 175.679 -2.041 18183 10098 1 17 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.675 0.076 18183 10099 1 17 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.911 -0.667 18183 10100 1 17 . 1 1 15 15 TRP N N 673 109.940 109.940 113.415 -3.475 18183 10101 1 17 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.932 -0.226 18183 10102 1 17 . 1 1 15 15 TRP C C 673 175.471 175.471 174.380 1.091 18183 10103 1 17 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.714 -1.864 18183 10104 1 17 . 1 1 15 15 TRP CB C 673 32.436 32.436 29.348 3.088 18183 10105 1 17 . 1 1 15 15 TRP H H 673 6.184 6.184 7.192 -1.008 18183 10106 1 17 . 1 1 16 16 PHE N N 674 123.228 123.228 121.668 1.560 18183 10107 1 17 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.829 0.272 18183 10108 1 17 . 1 1 16 16 PHE C C 674 174.684 174.684 174.000 0.684 18183 10109 1 17 . 1 1 16 16 PHE CA C 674 59.566 59.566 57.132 2.434 18183 10110 1 17 . 1 1 16 16 PHE CB C 674 39.968 39.968 41.724 -1.756 18183 10111 1 17 . 1 1 16 16 PHE H H 674 7.585 7.585 7.478 0.107 18183 10112 1 17 . 1 1 17 17 ALA N N 675 130.573 130.573 128.326 2.247 18183 10113 1 17 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.878 -0.036 18183 10114 1 17 . 1 1 17 17 ALA C C 675 177.161 177.161 177.141 0.020 18183 10115 1 17 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.324 -0.156 18183 10116 1 17 . 1 1 17 17 ALA CB C 675 21.968 21.968 20.355 1.613 18183 10117 1 17 . 1 1 17 17 ALA H H 675 9.004 9.004 8.405 0.599 18183 10118 1 17 . 1 1 18 18 GLY C C 676 174.000 174.000 172.659 1.341 18183 10119 1 17 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.516 1.974 18183 10120 1 17 . 1 1 19 19 ASN N N 677 124.182 124.182 122.139 2.043 18183 10121 1 17 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.887 0.119 18183 10122 1 17 . 1 1 19 19 ASN C C 677 174.916 174.916 174.694 0.222 18183 10123 1 17 . 1 1 19 19 ASN CA C 677 52.605 52.605 53.046 -0.441 18183 10124 1 17 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.868 -0.803 18183 10125 1 17 . 1 1 19 19 ASN H H 677 8.657 8.657 8.508 0.149 18183 10126 1 17 . 1 1 20 20 MET N N 678 122.806 122.806 121.567 1.239 18183 10127 1 17 . 1 1 20 20 MET HA H 678 4.173 4.173 4.647 -0.474 18183 10128 1 17 . 1 1 20 20 MET C C 678 175.317 175.317 174.762 0.555 18183 10129 1 17 . 1 1 20 20 MET CA C 678 56.274 56.274 54.426 1.848 18183 10130 1 17 . 1 1 20 20 MET CB C 678 35.581 35.581 35.787 -0.206 18183 10131 1 17 . 1 1 20 20 MET H H 678 7.158 7.158 7.779 -0.621 18183 10132 1 17 . 1 1 21 21 GLU N N 679 124.655 124.655 121.847 2.808 18183 10133 1 17 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.214 -0.013 18183 10134 1 17 . 1 1 21 21 GLU C C 679 178.105 178.105 177.399 0.706 18183 10135 1 17 . 1 1 21 21 GLU CA C 679 56.016 56.016 57.116 -1.100 18183 10136 1 17 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.759 0.132 18183 10137 1 17 . 1 1 21 21 GLU H H 679 8.687 8.687 8.647 0.040 18183 10138 1 17 . 1 1 22 22 ARG N N 680 125.764 125.764 123.618 2.146 18183 10139 1 17 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.951 -0.671 18183 10140 1 17 . 1 1 22 22 ARG C C 680 177.559 177.559 178.521 -0.962 18183 10141 1 17 . 1 1 22 22 ARG CA C 680 61.054 61.054 59.950 1.104 18183 10142 1 17 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.230 -0.362 18183 10143 1 17 . 1 1 22 22 ARG H H 680 9.191 9.191 8.783 0.408 18183 10144 1 17 . 1 1 23 23 GLN N N 681 118.109 118.109 117.776 0.333 18183 10145 1 17 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.026 -0.033 18183 10146 1 17 . 1 1 23 23 GLN C C 681 178.252 178.252 178.324 -0.072 18183 10147 1 17 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.370 0.229 18183 10148 1 17 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.858 -0.093 18183 10149 1 17 . 1 1 23 23 GLN H H 681 9.085 9.085 8.686 0.399 18183 10150 1 17 . 1 1 24 24 GLN N N 682 118.128 118.128 117.927 0.201 18183 10151 1 17 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.098 -0.047 18183 10152 1 17 . 1 1 24 24 GLN C C 682 178.328 178.328 178.654 -0.326 18183 10153 1 17 . 1 1 24 24 GLN CA C 682 58.765 58.765 58.981 -0.216 18183 10154 1 17 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.600 -0.368 18183 10155 1 17 . 1 1 24 24 GLN H H 682 7.287 7.287 7.801 -0.514 18183 10156 1 17 . 1 1 25 25 THR N N 683 116.436 116.436 117.216 -0.780 18183 10157 1 17 . 1 1 25 25 THR HA H 683 3.641 3.641 3.874 -0.233 18183 10158 1 17 . 1 1 25 25 THR CA C 683 67.504 67.504 67.528 -0.025 18183 10159 1 17 . 1 1 25 25 THR CB C 683 67.667 67.667 68.638 -0.971 18183 10160 1 17 . 1 1 25 25 THR H H 683 7.813 7.813 8.068 -0.255 18183 10161 1 17 . 1 1 26 26 ASP N N 684 123.084 123.084 120.659 2.425 18183 10162 1 17 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.464 -0.236 18183 10163 1 17 . 1 1 26 26 ASP C C 684 178.426 178.426 177.713 0.713 18183 10164 1 17 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.334 0.686 18183 10165 1 17 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.288 -1.462 18183 10166 1 17 . 1 1 26 26 ASP H H 684 8.384 8.384 8.070 0.314 18183 10167 1 17 . 1 1 27 27 ASN N N 685 116.068 116.068 116.955 -0.887 18183 10168 1 17 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.559 -0.240 18183 10169 1 17 . 1 1 27 27 ASN C C 685 177.207 177.207 177.737 -0.530 18183 10170 1 17 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.090 0.657 18183 10171 1 17 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.383 -0.186 18183 10172 1 17 . 1 1 27 27 ASN H H 685 7.667 7.667 7.790 -0.123 18183 10173 1 17 . 1 1 28 28 LEU N N 686 120.906 120.906 119.693 1.213 18183 10174 1 17 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.246 -0.077 18183 10175 1 17 . 1 1 28 28 LEU C C 686 179.394 179.394 178.155 1.239 18183 10176 1 17 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.794 0.027 18183 10177 1 17 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.903 0.789 18183 10178 1 17 . 1 1 28 28 LEU H H 686 7.993 7.993 7.759 0.234 18183 10179 1 17 . 1 1 29 29 LEU N N 687 114.941 114.941 115.910 -0.969 18183 10180 1 17 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.775 -0.724 18183 10181 1 17 . 1 1 29 29 LEU C C 687 178.742 178.742 177.245 1.497 18183 10182 1 17 . 1 1 29 29 LEU CA C 687 56.437 56.437 53.641 2.796 18183 10183 1 17 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.167 1.675 18183 10184 1 17 . 1 1 29 29 LEU H H 687 8.166 8.166 7.567 0.599 18183 10185 1 17 . 1 1 30 30 LYS N N 688 118.446 118.446 119.527 -1.081 18183 10186 1 17 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.176 -0.463 18183 10187 1 17 . 1 1 30 30 LYS C C 688 177.260 177.260 176.895 0.365 18183 10188 1 17 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.795 1.683 18183 10189 1 17 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.255 -0.171 18183 10190 1 17 . 1 1 30 30 LYS H H 688 7.635 7.635 7.460 0.175 18183 10191 1 17 . 1 1 31 31 SER N N 689 111.039 111.039 112.842 -1.803 18183 10192 1 17 . 1 1 31 31 SER HA H 689 4.417 4.417 4.741 -0.324 18183 10193 1 17 . 1 1 31 31 SER C C 689 174.495 174.495 173.411 1.084 18183 10194 1 17 . 1 1 31 31 SER CA C 689 58.387 58.387 57.346 1.041 18183 10195 1 17 . 1 1 31 31 SER CB C 689 63.281 63.281 63.418 -0.137 18183 10196 1 17 . 1 1 31 31 SER H H 689 7.709 7.709 8.137 -0.428 18183 10197 1 17 . 1 1 32 32 HIS N N 690 120.253 120.253 120.873 -0.620 18183 10198 1 17 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.753 -0.177 18183 10199 1 17 . 1 1 32 32 HIS C C 690 173.913 173.913 174.314 -0.401 18183 10200 1 17 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.244 -0.168 18183 10201 1 17 . 1 1 32 32 HIS CB C 690 31.853 31.853 32.182 -0.329 18183 10202 1 17 . 1 1 32 32 HIS H H 690 7.647 7.647 7.457 0.190 18183 10203 1 17 . 1 1 33 33 ALA N N 691 120.403 120.403 123.618 -3.215 18183 10204 1 17 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.522 -0.244 18183 10205 1 17 . 1 1 33 33 ALA C C 691 179.503 179.503 177.178 2.325 18183 10206 1 17 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.337 0.381 18183 10207 1 17 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.360 -0.091 18183 10208 1 17 . 1 1 33 33 ALA H H 691 8.452 8.452 8.717 -0.265 18183 10209 1 17 . 1 1 34 34 SER N N 692 117.464 117.464 116.344 1.120 18183 10210 1 17 . 1 1 34 34 SER HA H 692 4.047 4.047 4.511 -0.464 18183 10211 1 17 . 1 1 34 34 SER C C 692 175.307 175.307 175.781 -0.474 18183 10212 1 17 . 1 1 34 34 SER CA C 692 60.434 60.434 59.709 0.725 18183 10213 1 17 . 1 1 34 34 SER CB C 692 63.132 63.132 62.653 0.479 18183 10214 1 17 . 1 1 34 34 SER H H 692 9.002 9.002 8.545 0.457 18183 10215 1 17 . 1 1 35 35 GLY N N 693 113.364 113.364 113.846 -0.482 18183 10216 1 17 . 1 1 35 35 GLY C C 693 174.739 174.739 174.230 0.509 18183 10217 1 17 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.179 -0.329 18183 10218 1 17 . 1 1 35 35 GLY H H 693 9.873 9.873 9.309 0.564 18183 10219 1 17 . 1 1 36 36 THR N N 694 120.932 120.932 121.327 -0.395 18183 10220 1 17 . 1 1 36 36 THR HA H 694 5.923 5.923 5.271 0.652 18183 10221 1 17 . 1 1 36 36 THR C C 694 173.253 173.253 173.912 -0.659 18183 10222 1 17 . 1 1 36 36 THR CA C 694 63.429 63.429 64.511 -1.082 18183 10223 1 17 . 1 1 36 36 THR CB C 694 68.091 68.091 68.779 -0.688 18183 10224 1 17 . 1 1 36 36 THR H H 694 8.240 8.240 7.743 0.497 18183 10225 1 17 . 1 1 37 37 TYR N N 695 123.567 123.567 122.991 0.576 18183 10226 1 17 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.519 0.457 18183 10227 1 17 . 1 1 37 37 TYR C C 695 171.737 171.737 173.214 -1.477 18183 10228 1 17 . 1 1 37 37 TYR CA C 695 55.235 55.235 55.022 0.213 18183 10229 1 17 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.823 2.466 18183 10230 1 17 . 1 1 37 37 TYR H H 695 8.765 8.765 8.376 0.389 18183 10231 1 17 . 1 1 38 38 LEU N N 696 115.294 115.294 115.135 0.159 18183 10232 1 17 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.188 -0.085 18183 10233 1 17 . 1 1 38 38 LEU C C 696 174.368 174.368 174.673 -0.305 18183 10234 1 17 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.173 -0.341 18183 10235 1 17 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.420 -0.126 18183 10236 1 17 . 1 1 38 38 LEU H H 696 9.008 9.008 8.378 0.630 18183 10237 1 17 . 1 1 39 39 ILE N N 697 122.087 122.087 119.492 2.595 18183 10238 1 17 . 1 1 39 39 ILE HA H 697 5.293 5.293 5.057 0.236 18183 10239 1 17 . 1 1 39 39 ILE C C 697 173.625 173.625 174.760 -1.135 18183 10240 1 17 . 1 1 39 39 ILE CA C 697 59.806 59.806 59.186 0.620 18183 10241 1 17 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.242 -1.476 18183 10242 1 17 . 1 1 39 39 ILE H H 697 9.276 9.276 8.151 1.125 18183 10243 1 17 . 1 1 40 40 ARG N N 698 123.307 123.307 124.520 -1.213 18183 10244 1 17 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.958 0.185 18183 10245 1 17 . 1 1 40 40 ARG C C 698 173.789 173.789 174.247 -0.458 18183 10246 1 17 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.295 -1.125 18183 10247 1 17 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.863 -0.437 18183 10248 1 17 . 1 1 40 40 ARG H H 698 9.032 9.032 8.896 0.136 18183 10249 1 17 . 1 1 41 41 GLU N N 699 122.502 122.502 119.429 3.073 18183 10250 1 17 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.543 0.448 18183 10251 1 17 . 1 1 41 41 GLU C C 699 175.788 175.788 175.187 0.601 18183 10252 1 17 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.229 -0.390 18183 10253 1 17 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.972 -0.049 18183 10254 1 17 . 1 1 41 41 GLU H H 699 8.453 8.453 8.437 0.016 18183 10255 1 17 . 1 1 42 42 ARG N N 700 125.039 125.039 124.268 0.771 18183 10256 1 17 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.777 -0.123 18183 10257 1 17 . 1 1 42 42 ARG H H 700 8.844 8.844 8.493 0.351 18183 10258 1 17 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.320 -0.105 18183 10259 1 17 . 1 1 43 43 PRO C C 701 176.485 176.485 175.463 1.022 18183 10260 1 17 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.630 0.400 18183 10261 1 17 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.028 0.422 18183 10262 1 17 . 1 1 44 44 ALA N N 702 120.718 120.718 127.357 -6.639 18183 10263 1 17 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.373 -0.130 18183 10264 1 17 . 1 1 44 44 ALA C C 702 176.924 176.924 175.855 1.069 18183 10265 1 17 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.778 0.290 18183 10266 1 17 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.696 -1.269 18183 10267 1 17 . 1 1 44 44 ALA H H 702 8.217 8.217 7.649 0.568 18183 10268 1 17 . 1 1 45 45 GLU N N 703 118.107 118.107 120.459 -2.352 18183 10269 1 17 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.344 -0.039 18183 10270 1 17 . 1 1 45 45 GLU C C 703 176.308 176.308 175.833 0.475 18183 10271 1 17 . 1 1 45 45 GLU H H 703 7.638 7.638 8.531 -0.893 18183 10272 1 17 . 1 1 46 46 ALA N N 704 122.161 122.161 122.523 -0.362 18183 10273 1 17 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.466 -0.331 18183 10274 1 17 . 1 1 46 46 ALA C C 704 178.439 178.439 175.448 2.991 18183 10275 1 17 . 1 1 46 46 ALA H H 704 8.596 8.596 7.953 0.643 18183 10276 1 17 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.840 -0.194 18183 10277 1 17 . 1 1 47 47 GLU C C 705 175.340 175.340 175.459 -0.119 18183 10278 1 17 . 1 1 47 47 GLU H H 705 7.642 7.642 8.474 -0.832 18183 10279 1 17 . 1 1 48 48 ARG N N 706 122.871 122.871 121.901 0.970 18183 10280 1 17 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.540 0.100 18183 10281 1 17 . 1 1 48 48 ARG C C 706 175.645 175.645 174.900 0.745 18183 10282 1 17 . 1 1 48 48 ARG H H 706 8.163 8.163 8.353 -0.190 18183 10283 1 17 . 1 1 49 49 PHE N N 707 113.719 113.719 117.047 -3.328 18183 10284 1 17 . 1 1 49 49 PHE HA H 707 5.784 5.784 5.033 0.751 18183 10285 1 17 . 1 1 49 49 PHE C C 707 174.536 174.536 173.594 0.942 18183 10286 1 17 . 1 1 49 49 PHE H H 707 8.370 8.370 7.408 0.962 18183 10287 1 17 . 1 1 50 50 ALA N N 708 119.650 119.650 123.516 -3.866 18183 10288 1 17 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.172 -0.052 18183 10289 1 17 . 1 1 50 50 ALA C C 708 175.964 175.964 175.163 0.801 18183 10290 1 17 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.747 0.266 18183 10291 1 17 . 1 1 50 50 ALA CB C 708 21.880 21.880 23.054 -1.174 18183 10292 1 17 . 1 1 50 50 ALA H H 708 8.868 8.868 9.137 -0.269 18183 10293 1 17 . 1 1 51 51 ILE N N 709 121.077 121.077 121.701 -0.624 18183 10294 1 17 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.701 -0.054 18183 10295 1 17 . 1 1 51 51 ILE C C 709 175.049 175.049 175.285 -0.236 18183 10296 1 17 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.318 0.181 18183 10297 1 17 . 1 1 51 51 ILE CB C 709 39.996 39.996 39.798 0.198 18183 10298 1 17 . 1 1 51 51 ILE H H 709 9.130 9.130 8.841 0.289 18183 10299 1 17 . 1 1 52 52 SER N N 710 125.122 125.122 122.944 2.178 18183 10300 1 17 . 1 1 52 52 SER HA H 710 5.454 5.454 4.929 0.525 18183 10301 1 17 . 1 1 52 52 SER C C 710 172.024 172.024 173.127 -1.103 18183 10302 1 17 . 1 1 52 52 SER CA C 710 57.614 57.614 57.224 0.390 18183 10303 1 17 . 1 1 52 52 SER CB C 710 64.989 64.989 63.594 1.395 18183 10304 1 17 . 1 1 52 52 SER H H 710 9.204 9.204 8.213 0.991 18183 10305 1 17 . 1 1 53 53 ILE N N 711 121.512 121.512 126.218 -4.706 18183 10306 1 17 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.920 0.219 18183 10307 1 17 . 1 1 53 53 ILE C C 711 173.093 173.093 173.452 -0.359 18183 10308 1 17 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.018 -1.385 18183 10309 1 17 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.890 -0.067 18183 10310 1 17 . 1 1 53 53 ILE H H 711 8.825 8.825 8.061 0.764 18183 10311 1 17 . 1 1 54 54 LYS N N 712 128.814 128.814 124.907 3.907 18183 10312 1 17 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.126 -0.371 18183 10313 1 17 . 1 1 54 54 LYS C C 712 174.850 174.850 174.704 0.146 18183 10314 1 17 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.504 -0.259 18183 10315 1 17 . 1 1 54 54 LYS CB C 712 33.334 33.334 34.280 -0.946 18183 10316 1 17 . 1 1 54 54 LYS H H 712 8.863 8.863 8.674 0.189 18183 10317 1 17 . 1 1 55 55 PHE N N 713 130.119 130.119 125.752 4.367 18183 10318 1 17 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.686 0.182 18183 10319 1 17 . 1 1 55 55 PHE C C 713 174.223 174.223 174.173 0.050 18183 10320 1 17 . 1 1 55 55 PHE CA C 713 58.149 58.149 58.111 0.038 18183 10321 1 17 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.406 -1.804 18183 10322 1 17 . 1 1 55 55 PHE H H 713 9.373 9.373 8.852 0.521 18183 10323 1 17 . 1 1 56 56 ASN N N 714 125.766 125.766 121.538 4.228 18183 10324 1 17 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.229 -0.331 18183 10325 1 17 . 1 1 56 56 ASN C C 714 173.945 173.945 174.061 -0.116 18183 10326 1 17 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.095 0.911 18183 10327 1 17 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.599 -1.637 18183 10328 1 17 . 1 1 56 56 ASN H H 714 8.364 8.364 8.254 0.110 18183 10329 1 17 . 1 1 57 57 ASP N N 715 117.708 117.708 113.921 3.787 18183 10330 1 17 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.135 0.416 18183 10331 1 17 . 1 1 57 57 ASP C C 715 174.766 174.766 174.731 0.035 18183 10332 1 17 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.699 -0.654 18183 10333 1 17 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.575 0.002 18183 10334 1 17 . 1 1 57 57 ASP H H 715 8.536 8.536 8.437 0.099 18183 10335 1 17 . 1 1 58 58 GLU N N 716 118.715 118.715 116.278 2.437 18183 10336 1 17 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.694 -0.029 18183 10337 1 17 . 1 1 58 58 GLU C C 716 173.786 173.786 174.362 -0.576 18183 10338 1 17 . 1 1 58 58 GLU CA C 716 54.942 54.942 54.788 0.155 18183 10339 1 17 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.228 -0.066 18183 10340 1 17 . 1 1 58 58 GLU H H 716 7.873 7.873 7.638 0.235 18183 10341 1 17 . 1 1 59 59 VAL N N 717 120.798 120.798 124.377 -3.579 18183 10342 1 17 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.418 -0.045 18183 10343 1 17 . 1 1 59 59 VAL C C 717 175.325 175.325 175.979 -0.654 18183 10344 1 17 . 1 1 59 59 VAL CA C 717 61.939 61.939 62.382 -0.443 18183 10345 1 17 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.896 0.121 18183 10346 1 17 . 1 1 59 59 VAL H H 717 8.473 8.473 8.621 -0.148 18183 10347 1 17 . 1 1 60 60 LYS N N 718 127.136 127.136 127.514 -0.378 18183 10348 1 17 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.564 -0.133 18183 10349 1 17 . 1 1 60 60 LYS C C 718 174.439 174.439 175.026 -0.587 18183 10350 1 17 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.789 -1.980 18183 10351 1 17 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.472 -1.367 18183 10352 1 17 . 1 1 60 60 LYS H H 718 8.903 8.903 8.792 0.111 18183 10353 1 17 . 1 1 61 61 HIS N N 719 119.956 119.956 121.196 -1.240 18183 10354 1 17 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.761 0.462 18183 10355 1 17 . 1 1 61 61 HIS C C 719 175.173 175.173 174.202 0.971 18183 10356 1 17 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.200 -0.040 18183 10357 1 17 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.466 2.416 18183 10358 1 17 . 1 1 61 61 HIS H H 719 8.422 8.422 8.705 -0.283 18183 10359 1 17 . 1 1 62 62 ILE N N 720 126.629 126.629 125.207 1.422 18183 10360 1 17 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.319 -0.183 18183 10361 1 17 . 1 1 62 62 ILE C C 720 175.372 175.372 174.979 0.393 18183 10362 1 17 . 1 1 62 62 ILE CA C 720 59.976 59.976 60.861 -0.885 18183 10363 1 17 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.292 1.736 18183 10364 1 17 . 1 1 62 62 ILE H H 720 9.646 9.646 7.947 1.699 18183 10365 1 17 . 1 1 63 63 LYS N N 721 127.276 127.276 127.417 -0.141 18183 10366 1 17 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.600 -0.373 18183 10367 1 17 . 1 1 63 63 LYS C C 721 174.877 174.877 176.198 -1.321 18183 10368 1 17 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.442 2.098 18183 10369 1 17 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.021 0.028 18183 10370 1 17 . 1 1 63 63 LYS H H 721 8.741 8.741 8.619 0.122 18183 10371 1 17 . 1 1 64 64 VAL N N 722 123.343 123.343 126.374 -3.031 18183 10372 1 17 . 1 1 64 64 VAL HA H 722 4.173 4.173 3.993 0.180 18183 10373 1 17 . 1 1 64 64 VAL C C 722 174.522 174.522 175.206 -0.684 18183 10374 1 17 . 1 1 64 64 VAL CA C 722 61.495 61.495 62.890 -1.395 18183 10375 1 17 . 1 1 64 64 VAL CB C 722 30.392 30.392 32.636 -2.244 18183 10376 1 17 . 1 1 64 64 VAL H H 722 8.166 8.166 8.569 -0.403 18183 10377 1 17 . 1 1 65 65 VAL N N 723 127.934 127.934 124.590 3.344 18183 10378 1 17 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.270 -0.124 18183 10379 1 17 . 1 1 65 65 VAL C C 723 174.212 174.212 175.063 -0.851 18183 10380 1 17 . 1 1 65 65 VAL CA C 723 61.751 61.751 61.204 0.547 18183 10381 1 17 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.257 0.022 18183 10382 1 17 . 1 1 65 65 VAL H H 723 8.469 8.469 7.938 0.531 18183 10383 1 17 . 1 1 66 66 GLU N N 724 125.632 125.632 128.230 -2.598 18183 10384 1 17 . 1 1 66 66 GLU HA H 724 5.156 5.156 4.824 0.332 18183 10385 1 17 . 1 1 66 66 GLU C C 724 175.573 175.573 175.822 -0.249 18183 10386 1 17 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.423 -0.867 18183 10387 1 17 . 1 1 66 66 GLU CB C 724 32.441 32.441 30.549 1.892 18183 10388 1 17 . 1 1 66 66 GLU H H 724 8.518 8.518 8.226 0.292 18183 10389 1 17 . 1 1 67 67 LYS N N 725 125.857 125.857 124.951 0.906 18183 10390 1 17 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.274 0.178 18183 10391 1 17 . 1 1 67 67 LYS C C 725 175.624 175.624 177.683 -2.059 18183 10392 1 17 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.765 -0.511 18183 10393 1 17 . 1 1 67 67 LYS CB C 725 35.041 35.041 33.348 1.693 18183 10394 1 17 . 1 1 67 67 LYS H H 725 8.671 8.671 8.423 0.248 18183 10395 1 17 . 1 1 68 68 ASP N N 726 127.302 127.302 118.860 8.442 18183 10396 1 17 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.377 -0.186 18183 10397 1 17 . 1 1 68 68 ASP C C 726 174.291 174.291 176.573 -2.282 18183 10398 1 17 . 1 1 68 68 ASP CA C 726 56.022 56.022 57.668 -1.646 18183 10399 1 17 . 1 1 68 68 ASP CB C 726 39.391 39.391 41.147 -1.756 18183 10400 1 17 . 1 1 68 68 ASP H H 726 9.485 9.485 8.698 0.787 18183 10401 1 17 . 1 1 69 69 ASN N N 727 110.250 110.250 113.581 -3.331 18183 10402 1 17 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.760 -0.537 18183 10403 1 17 . 1 1 69 69 ASN C C 727 173.825 173.825 173.407 0.418 18183 10404 1 17 . 1 1 69 69 ASN CA C 727 54.672 54.672 52.686 1.986 18183 10405 1 17 . 1 1 69 69 ASN CB C 727 37.344 37.344 39.136 -1.792 18183 10406 1 17 . 1 1 69 69 ASN H H 727 8.344 8.344 8.561 -0.217 18183 10407 1 17 . 1 1 70 70 TRP N N 728 119.098 119.098 117.860 1.238 18183 10408 1 17 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.294 0.022 18183 10409 1 17 . 1 1 70 70 TRP C C 728 174.989 174.989 174.832 0.157 18183 10410 1 17 . 1 1 70 70 TRP CA C 728 56.712 56.712 55.966 0.746 18183 10411 1 17 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.351 0.992 18183 10412 1 17 . 1 1 70 70 TRP H H 728 8.050 8.050 7.662 0.388 18183 10413 1 17 . 1 1 71 71 ILE N N 729 121.706 121.706 119.639 2.067 18183 10414 1 17 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.365 0.147 18183 10415 1 17 . 1 1 71 71 ILE C C 729 175.265 175.265 174.096 1.169 18183 10416 1 17 . 1 1 71 71 ILE CA C 729 58.794 58.794 60.455 -1.661 18183 10417 1 17 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.469 -0.378 18183 10418 1 17 . 1 1 71 71 ILE H H 729 9.298 9.298 9.216 0.082 18183 10419 1 17 . 1 1 72 72 HIS N N 730 121.063 121.063 126.831 -5.768 18183 10420 1 17 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.022 0.129 18183 10421 1 17 . 1 1 72 72 HIS C C 730 173.774 173.774 174.649 -0.875 18183 10422 1 17 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.837 0.682 18183 10423 1 17 . 1 1 72 72 HIS CB C 730 32.509 32.509 33.882 -1.373 18183 10424 1 17 . 1 1 72 72 HIS H H 730 9.024 9.024 8.551 0.473 18183 10425 1 17 . 1 1 73 73 ILE N N 731 112.363 112.363 119.954 -7.591 18183 10426 1 17 . 1 1 73 73 ILE HA H 731 4.896 4.896 3.972 0.924 18183 10427 1 17 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.859 -0.557 18183 10428 1 17 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.175 1.212 18183 10429 1 17 . 1 1 73 73 ILE H H 731 9.425 9.425 8.212 1.213 18183 10430 1 17 . 1 1 74 74 THR N N 732 117.292 117.292 113.113 4.179 18183 10431 1 17 . 1 1 74 74 THR HA H 732 4.679 4.679 4.448 0.231 18183 10432 1 17 . 1 1 74 74 THR C C 732 173.467 173.467 173.748 -0.281 18183 10433 1 17 . 1 1 74 74 THR CA C 732 59.795 59.795 60.660 -0.865 18183 10434 1 17 . 1 1 74 74 THR CB C 732 69.896 69.896 71.277 -1.381 18183 10435 1 17 . 1 1 74 74 THR H H 732 8.421 8.421 6.785 1.636 18183 10436 1 17 . 1 1 75 75 GLU N N 733 123.689 123.689 121.437 2.252 18183 10437 1 17 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.605 -1.631 18183 10438 1 17 . 1 1 75 75 GLU C C 733 175.819 175.819 175.402 0.417 18183 10439 1 17 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.614 2.284 18183 10440 1 17 . 1 1 75 75 GLU CB C 733 28.991 28.991 28.488 0.503 18183 10441 1 17 . 1 1 75 75 GLU H H 733 8.615 8.615 8.793 -0.178 18183 10442 1 17 . 1 1 76 76 ALA N N 734 117.705 117.705 121.579 -3.874 18183 10443 1 17 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.379 -0.467 18183 10444 1 17 . 1 1 76 76 ALA C C 734 177.024 177.024 177.468 -0.444 18183 10445 1 17 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.966 0.296 18183 10446 1 17 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.089 -0.292 18183 10447 1 17 . 1 1 76 76 ALA H H 734 7.654 7.654 7.930 -0.276 18183 10448 1 17 . 1 1 77 77 LYS N N 735 119.239 119.239 118.746 0.493 18183 10449 1 17 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.168 -0.077 18183 10450 1 17 . 1 1 77 77 LYS C C 735 172.048 172.048 173.480 -1.432 18183 10451 1 17 . 1 1 77 77 LYS CA C 735 54.373 54.373 54.969 -0.597 18183 10452 1 17 . 1 1 77 77 LYS CB C 735 33.343 33.343 33.880 -0.537 18183 10453 1 17 . 1 1 77 77 LYS H H 735 7.214 7.214 7.230 -0.016 18183 10454 1 17 . 1 1 78 78 LYS N N 736 123.194 123.194 120.845 2.349 18183 10455 1 17 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.128 0.609 18183 10456 1 17 . 1 1 78 78 LYS C C 736 174.901 174.901 175.421 -0.520 18183 10457 1 17 . 1 1 78 78 LYS CA C 736 54.703 54.703 56.748 -2.045 18183 10458 1 17 . 1 1 78 78 LYS CB C 736 35.093 35.093 31.343 3.750 18183 10459 1 17 . 1 1 78 78 LYS H H 736 7.850 7.850 7.661 0.189 18183 10460 1 17 . 1 1 79 79 PHE N N 737 117.645 117.645 125.846 -8.201 18183 10461 1 17 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.753 0.173 18183 10462 1 17 . 1 1 79 79 PHE C C 737 175.500 175.500 176.451 -0.951 18183 10463 1 17 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.661 -0.748 18183 10464 1 17 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.070 1.398 18183 10465 1 17 . 1 1 79 79 PHE H H 737 9.079 9.079 8.317 0.762 18183 10466 1 17 . 1 1 80 80 ASP N N 738 119.264 119.264 119.117 0.147 18183 10467 1 17 . 1 1 80 80 ASP HA H 738 4.717 4.717 4.666 0.051 18183 10468 1 17 . 1 1 80 80 ASP C C 738 176.014 176.014 175.810 0.204 18183 10469 1 17 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.475 0.170 18183 10470 1 17 . 1 1 80 80 ASP CB C 738 41.720 41.720 42.749 -1.029 18183 10471 1 17 . 1 1 80 80 ASP H H 738 9.332 9.332 9.127 0.205 18183 10472 1 17 . 1 1 81 81 SER N N 739 108.541 108.541 111.929 -3.388 18183 10473 1 17 . 1 1 81 81 SER HA H 739 4.649 4.649 4.750 -0.101 18183 10474 1 17 . 1 1 81 81 SER C C 739 173.719 173.719 174.122 -0.403 18183 10475 1 17 . 1 1 81 81 SER CA C 739 57.148 57.148 56.993 0.155 18183 10476 1 17 . 1 1 81 81 SER CB C 739 66.475 66.475 66.756 -0.281 18183 10477 1 17 . 1 1 81 81 SER H H 739 7.379 7.379 7.647 -0.268 18183 10478 1 17 . 1 1 82 82 LEU N N 740 122.926 122.926 124.383 -1.457 18183 10479 1 17 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.853 -0.097 18183 10480 1 17 . 1 1 82 82 LEU C C 740 177.267 177.267 177.553 -0.286 18183 10481 1 17 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.082 -0.248 18183 10482 1 17 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.586 -1.002 18183 10483 1 17 . 1 1 82 82 LEU H H 740 8.939 8.939 8.461 0.477 18183 10484 1 17 . 1 1 83 83 LEU N N 741 116.722 116.722 117.156 -0.434 18183 10485 1 17 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.799 -0.024 18183 10486 1 17 . 1 1 83 83 LEU C C 741 177.528 177.528 178.331 -0.803 18183 10487 1 17 . 1 1 83 83 LEU CA C 741 58.139 58.139 57.953 0.186 18183 10488 1 17 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.296 0.381 18183 10489 1 17 . 1 1 83 83 LEU H H 741 7.814 7.814 7.814 -0.000 18183 10490 1 17 . 1 1 84 84 GLU N N 742 116.747 116.747 119.318 -2.571 18183 10491 1 17 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.933 -0.066 18183 10492 1 17 . 1 1 84 84 GLU C C 742 178.282 178.282 178.531 -0.249 18183 10493 1 17 . 1 1 84 84 GLU CA C 742 59.139 59.139 58.936 0.203 18183 10494 1 17 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.486 0.947 18183 10495 1 17 . 1 1 84 84 GLU H H 742 7.541 7.541 7.488 0.053 18183 10496 1 17 . 1 1 85 85 LEU N N 743 122.157 122.157 121.084 1.073 18183 10497 1 17 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.713 -0.750 18183 10498 1 17 . 1 1 85 85 LEU C C 743 177.315 177.315 178.122 -0.807 18183 10499 1 17 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.751 0.988 18183 10500 1 17 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.762 -0.047 18183 10501 1 17 . 1 1 85 85 LEU H H 743 7.076 7.076 7.110 -0.034 18183 10502 1 17 . 1 1 86 86 VAL N N 744 119.754 119.754 118.001 1.753 18183 10503 1 17 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.411 -0.621 18183 10504 1 17 . 1 1 86 86 VAL C C 744 177.621 177.621 178.323 -0.702 18183 10505 1 17 . 1 1 86 86 VAL CA C 744 66.844 66.844 65.545 1.299 18183 10506 1 17 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.099 0.866 18183 10507 1 17 . 1 1 86 86 VAL H H 744 8.116 8.116 7.705 0.411 18183 10508 1 17 . 1 1 87 87 GLU N N 745 116.169 116.169 119.759 -3.590 18183 10509 1 17 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.861 -0.146 18183 10510 1 17 . 1 1 87 87 GLU C C 745 179.560 179.560 179.074 0.486 18183 10511 1 17 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.795 -0.473 18183 10512 1 17 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.378 -0.292 18183 10513 1 17 . 1 1 87 87 GLU H H 745 8.168 8.168 7.605 0.563 18183 10514 1 17 . 1 1 88 88 TYR N N 746 120.022 120.022 120.204 -0.182 18183 10515 1 17 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.072 0.021 18183 10516 1 17 . 1 1 88 88 TYR C C 746 180.010 180.010 178.015 1.995 18183 10517 1 17 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.798 0.796 18183 10518 1 17 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.508 0.320 18183 10519 1 17 . 1 1 88 88 TYR H H 746 7.774 7.774 7.662 0.112 18183 10520 1 17 . 1 1 89 89 TYR N N 747 118.480 118.480 117.439 1.041 18183 10521 1 17 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.866 0.189 18183 10522 1 17 . 1 1 89 89 TYR C C 747 175.796 175.796 178.680 -2.884 18183 10523 1 17 . 1 1 89 89 TYR CA C 747 61.137 61.137 60.319 0.818 18183 10524 1 17 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.827 -0.897 18183 10525 1 17 . 1 1 89 89 TYR H H 747 7.782 7.782 7.697 0.085 18183 10526 1 17 . 1 1 90 90 GLN N N 748 118.696 118.696 117.935 0.761 18183 10527 1 17 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.859 0.530 18183 10528 1 17 . 1 1 90 90 GLN C C 748 177.777 177.777 176.579 1.198 18183 10529 1 17 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.133 -1.416 18183 10530 1 17 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.699 -0.179 18183 10531 1 17 . 1 1 90 90 GLN H H 748 7.838 7.838 8.259 -0.421 18183 10532 1 17 . 1 1 91 91 CYS N N 749 111.118 111.118 113.279 -2.161 18183 10533 1 17 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.419 0.183 18183 10534 1 17 . 1 1 91 91 CYS C C 749 172.887 172.887 174.730 -1.843 18183 10535 1 17 . 1 1 91 91 CYS CA C 749 57.434 57.434 59.133 -1.698 18183 10536 1 17 . 1 1 91 91 CYS CB C 749 29.266 29.266 29.629 -0.363 18183 10537 1 17 . 1 1 91 91 CYS H H 749 7.145 7.145 7.761 -0.616 18183 10538 1 17 . 1 1 92 92 HIS N N 750 120.227 120.227 120.561 -0.334 18183 10539 1 17 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.655 -0.323 18183 10540 1 17 . 1 1 92 92 HIS C C 750 171.842 171.842 174.191 -2.349 18183 10541 1 17 . 1 1 92 92 HIS CA C 750 55.077 55.077 55.140 -0.063 18183 10542 1 17 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.695 -2.319 18183 10543 1 17 . 1 1 92 92 HIS H H 750 7.470 7.470 7.921 -0.451 18183 10544 1 17 . 1 1 93 93 SER N N 751 113.120 113.120 120.761 -7.641 18183 10545 1 17 . 1 1 93 93 SER HA H 751 3.782 3.782 4.343 -0.561 18183 10546 1 17 . 1 1 93 93 SER C C 751 176.653 176.653 175.305 1.348 18183 10547 1 17 . 1 1 93 93 SER CA C 751 57.812 57.812 59.231 -1.419 18183 10548 1 17 . 1 1 93 93 SER CB C 751 62.783 62.783 63.779 -0.996 18183 10549 1 17 . 1 1 93 93 SER H H 751 8.404 8.404 9.012 -0.608 18183 10550 1 17 . 1 1 94 94 LEU N N 752 127.293 127.293 121.899 5.394 18183 10551 1 17 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.531 -0.462 18183 10552 1 17 . 1 1 94 94 LEU C C 752 177.524 177.524 177.830 -0.306 18183 10553 1 17 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.097 2.299 18183 10554 1 17 . 1 1 94 94 LEU CB C 752 42.487 42.487 40.542 1.945 18183 10555 1 17 . 1 1 94 94 LEU H H 752 8.553 8.553 8.296 0.257 18183 10556 1 17 . 1 1 95 95 LYS N N 753 122.249 122.249 119.064 3.185 18183 10557 1 17 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.299 0.029 18183 10558 1 17 . 1 1 95 95 LYS C C 753 176.426 176.426 178.202 -1.776 18183 10559 1 17 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.524 -0.970 18183 10560 1 17 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.475 0.699 18183 10561 1 17 . 1 1 95 95 LYS H H 753 8.303 8.303 8.358 -0.055 18183 10562 1 17 . 1 1 96 96 GLU N N 754 115.401 115.401 119.413 -4.012 18183 10563 1 17 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.109 -0.024 18183 10564 1 17 . 1 1 96 96 GLU C C 754 176.838 176.838 178.079 -1.241 18183 10565 1 17 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.963 -0.866 18183 10566 1 17 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.543 -0.043 18183 10567 1 17 . 1 1 96 96 GLU H H 754 7.188 7.188 8.222 -1.034 18183 10568 1 17 . 1 1 97 97 SER N N 755 113.852 113.852 113.217 0.635 18183 10569 1 17 . 1 1 97 97 SER HA H 755 4.402 4.402 4.506 -0.104 18183 10570 1 17 . 1 1 97 97 SER C C 755 172.067 172.067 174.675 -2.608 18183 10571 1 17 . 1 1 97 97 SER CA C 755 59.448 59.448 59.543 -0.095 18183 10572 1 17 . 1 1 97 97 SER CB C 755 65.680 65.680 64.729 0.951 18183 10573 1 17 . 1 1 97 97 SER H H 755 7.838 7.838 7.817 0.021 18183 10574 1 17 . 1 1 98 98 PHE N N 756 121.742 121.742 122.519 -0.777 18183 10575 1 17 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.790 -0.220 18183 10576 1 17 . 1 1 98 98 PHE C C 756 174.941 174.941 175.537 -0.596 18183 10577 1 17 . 1 1 98 98 PHE CA C 756 56.748 56.748 55.705 1.043 18183 10578 1 17 . 1 1 98 98 PHE CB C 756 40.281 40.281 38.947 1.334 18183 10579 1 17 . 1 1 98 98 PHE H H 756 8.223 8.223 8.941 -0.718 18183 10580 1 17 . 1 1 99 99 LYS N N 757 122.713 122.713 124.533 -1.820 18183 10581 1 17 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.056 0.015 18183 10582 1 17 . 1 1 99 99 LYS C C 757 176.793 176.793 176.664 0.129 18183 10583 1 17 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.911 0.246 18183 10584 1 17 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.513 -0.180 18183 10585 1 17 . 1 1 99 99 LYS H H 757 8.388 8.388 8.502 -0.114 18183 10586 1 17 . 1 1 100 100 GLN N N 758 114.972 114.972 115.449 -0.477 18183 10587 1 17 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.382 -0.221 18183 10588 1 17 . 1 1 100 100 GLN C C 758 175.591 175.591 175.635 -0.044 18183 10589 1 17 . 1 1 100 100 GLN CA C 758 56.469 56.469 55.644 0.825 18183 10590 1 17 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.497 -0.510 18183 10591 1 17 . 1 1 100 100 GLN H H 758 8.662 8.662 8.174 0.488 18183 10592 1 17 . 1 1 101 101 LEU N N 759 124.472 124.472 121.518 2.954 18183 10593 1 17 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.758 -1.079 18183 10594 1 17 . 1 1 101 101 LEU C C 759 173.228 173.228 174.759 -1.531 18183 10595 1 17 . 1 1 101 101 LEU CA C 759 52.325 52.325 55.360 -3.035 18183 10596 1 17 . 1 1 101 101 LEU CB C 759 41.512 41.512 44.285 -2.773 18183 10597 1 17 . 1 1 101 101 LEU H H 759 7.884 7.884 7.716 0.168 18183 10598 1 17 . 1 1 102 102 ASP N N 760 119.321 119.321 125.174 -5.853 18183 10599 1 17 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.815 -0.330 18183 10600 1 17 . 1 1 102 102 ASP C C 760 173.467 173.467 175.028 -1.561 18183 10601 1 17 . 1 1 102 102 ASP CA C 760 52.125 52.125 54.308 -2.183 18183 10602 1 17 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.373 -1.345 18183 10603 1 17 . 1 1 102 102 ASP H H 760 6.594 6.594 8.429 -1.835 18183 10604 1 17 . 1 1 103 103 THR N N 761 117.213 117.213 116.009 1.204 18183 10605 1 17 . 1 1 103 103 THR HA H 761 4.643 4.643 4.309 0.334 18183 10606 1 17 . 1 1 103 103 THR C C 761 172.158 172.158 173.231 -1.073 18183 10607 1 17 . 1 1 103 103 THR CA C 761 60.197 60.197 60.097 0.100 18183 10608 1 17 . 1 1 103 103 THR CB C 761 69.046 69.046 69.350 -0.304 18183 10609 1 17 . 1 1 103 103 THR H H 761 7.637 7.637 7.459 0.178 18183 10610 1 17 . 1 1 104 104 THR N N 762 114.193 114.193 116.358 -2.165 18183 10611 1 17 . 1 1 104 104 THR HA H 762 4.569 4.569 4.381 0.188 18183 10612 1 17 . 1 1 104 104 THR C C 762 175.698 175.698 174.190 1.508 18183 10613 1 17 . 1 1 104 104 THR CA C 762 60.808 60.808 59.756 1.052 18183 10614 1 17 . 1 1 104 104 THR CB C 762 70.636 70.636 70.900 -0.264 18183 10615 1 17 . 1 1 104 104 THR H H 762 7.284 7.284 8.202 -0.918 18183 10616 1 17 . 1 1 105 105 LEU N N 763 117.473 117.473 122.725 -5.252 18183 10617 1 17 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.788 -0.325 18183 10618 1 17 . 1 1 105 105 LEU C C 763 174.348 174.348 176.738 -2.390 18183 10619 1 17 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.403 -1.421 18183 10620 1 17 . 1 1 105 105 LEU CB C 763 35.683 35.683 38.959 -3.276 18183 10621 1 17 . 1 1 105 105 LEU H H 763 8.093 8.093 8.304 -0.211 18183 10622 1 17 . 1 1 106 106 LYS N N 764 127.491 127.491 122.233 5.258 18183 10623 1 17 . 1 1 106 106 LYS HA H 764 3.958 3.958 3.875 0.083 18183 10624 1 17 . 1 1 106 106 LYS C C 764 176.734 176.734 175.921 0.813 18183 10625 1 17 . 1 1 106 106 LYS CA C 764 59.696 59.696 58.525 1.171 18183 10626 1 17 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.209 1.958 18183 10627 1 17 . 1 1 106 106 LYS H H 764 7.118 7.118 8.038 -0.920 18183 10628 1 17 . 1 1 107 107 TYR N N 765 115.804 115.804 114.840 0.964 18183 10629 1 17 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.998 0.466 18183 10630 1 17 . 1 1 107 107 TYR C C 765 172.048 172.048 172.797 -0.749 18183 10631 1 17 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.450 -2.931 18183 10632 1 17 . 1 1 107 107 TYR CB C 765 40.376 40.376 39.204 1.172 18183 10633 1 17 . 1 1 107 107 TYR H H 765 7.848 7.848 7.508 0.340 18183 10634 1 17 . 1 1 108 108 PRO HA H 766 3.626 3.626 3.992 -0.366 18183 10635 1 17 . 1 1 108 108 PRO C C 766 180.469 180.469 176.639 3.830 18183 10636 1 17 . 1 1 109 109 TYR N N 767 122.791 122.791 115.857 6.934 18183 10637 1 17 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.337 -0.553 18183 10638 1 17 . 1 1 109 109 TYR C C 767 174.575 174.575 175.132 -0.557 18183 10639 1 17 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.962 3.024 18183 10640 1 17 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.253 0.373 18183 10641 1 17 . 1 1 109 109 TYR H H 767 8.306 8.306 8.179 0.127 18183 10642 1 17 . 1 1 110 110 LYS N N 768 118.817 118.817 120.115 -1.298 18183 10643 1 17 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.167 -0.264 18183 10644 1 17 . 1 1 110 110 LYS C C 768 176.259 176.259 176.597 -0.338 18183 10645 1 17 . 1 1 110 110 LYS CA C 768 56.595 56.595 56.496 0.099 18183 10646 1 17 . 1 1 110 110 LYS CB C 768 32.605 32.605 33.248 -0.643 18183 10647 1 17 . 1 1 110 110 LYS H H 768 6.785 6.785 7.951 -1.166 18183 10648 1 17 . 1 1 111 111 SER N N 769 114.539 114.539 112.390 2.149 18183 10649 1 17 . 1 1 111 111 SER HA H 769 4.317 4.317 4.512 -0.195 18183 10650 1 17 . 1 1 111 111 SER C C 769 174.092 174.092 173.488 0.604 18183 10651 1 17 . 1 1 111 111 SER CA C 769 58.647 58.647 58.025 0.622 18183 10652 1 17 . 1 1 111 111 SER CB C 769 63.883 63.883 64.876 -0.993 18183 10653 1 17 . 1 1 111 111 SER H H 769 7.765 7.765 8.197 -0.432 18183 10654 1 17 . 1 1 112 112 ARG N N 770 122.458 122.458 122.322 0.136 18183 10655 1 17 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.291 0.031 18183 10656 1 17 . 1 1 112 112 ARG C C 770 175.130 175.130 174.530 0.600 18183 10657 1 17 . 1 1 112 112 ARG CA C 770 55.664 55.664 57.095 -1.431 18183 10658 1 17 . 1 1 112 112 ARG CB C 770 30.880 30.880 30.224 0.656 18183 10659 1 17 . 1 1 112 112 ARG H H 770 8.082 8.082 8.368 -0.286 18183 10660 1 18 . 1 1 2 2 ARG N N 660 123.546 123.546 122.108 1.438 18183 10661 1 18 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.201 0.375 18183 10662 1 18 . 1 1 2 2 ARG CA C 660 53.850 53.850 55.855 -2.005 18183 10663 1 18 . 1 1 2 2 ARG CB C 660 30.347 30.347 29.458 0.889 18183 10664 1 18 . 1 1 2 2 ARG H H 660 8.258 8.258 8.413 -0.155 18183 10665 1 18 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.373 -0.017 18183 10666 1 18 . 1 1 4 4 PRO C C 662 177.047 177.047 176.552 0.495 18183 10667 1 18 . 1 1 4 4 PRO CA C 662 63.221 63.221 63.634 -0.413 18183 10668 1 18 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.067 -0.092 18183 10669 1 18 . 1 1 5 5 SER N N 663 116.108 116.108 119.414 -3.306 18183 10670 1 18 . 1 1 5 5 SER HA H 663 4.335 4.335 4.618 -0.283 18183 10671 1 18 . 1 1 5 5 SER C C 663 174.708 174.708 174.311 0.397 18183 10672 1 18 . 1 1 5 5 SER CA C 663 58.639 58.639 57.973 0.666 18183 10673 1 18 . 1 1 5 5 SER CB C 663 63.849 63.849 63.815 0.034 18183 10674 1 18 . 1 1 5 5 SER H H 663 8.385 8.385 8.512 -0.127 18183 10675 1 18 . 1 1 6 6 ARG N N 664 122.132 122.132 123.348 -1.216 18183 10676 1 18 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.018 0.301 18183 10677 1 18 . 1 1 6 6 ARG C C 664 175.951 175.951 174.324 1.627 18183 10678 1 18 . 1 1 6 6 ARG CA C 664 55.931 55.931 57.053 -1.122 18183 10679 1 18 . 1 1 6 6 ARG CB C 664 30.832 30.832 28.356 2.476 18183 10680 1 18 . 1 1 6 6 ARG H H 664 8.347 8.347 8.951 -0.604 18183 10681 1 18 . 1 1 7 7 GLU N N 665 122.268 122.268 115.168 7.100 18183 10682 1 18 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.437 -0.175 18183 10683 1 18 . 1 1 7 7 GLU C C 665 175.809 175.809 174.338 1.471 18183 10684 1 18 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.551 0.619 18183 10685 1 18 . 1 1 7 7 GLU CB C 665 29.908 29.908 31.697 -1.789 18183 10686 1 18 . 1 1 7 7 GLU H H 665 8.336 8.336 7.700 0.636 18183 10687 1 18 . 1 1 8 8 ILE N N 666 123.984 123.984 121.720 2.264 18183 10688 1 18 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.056 -0.276 18183 10689 1 18 . 1 1 8 8 ILE C C 666 174.325 174.325 176.094 -1.769 18183 10690 1 18 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.250 0.559 18183 10691 1 18 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.726 0.507 18183 10692 1 18 . 1 1 8 8 ILE H H 666 7.920 7.920 8.177 -0.257 18183 10693 1 18 . 1 1 9 9 ASP N N 667 124.228 124.228 127.234 -3.006 18183 10694 1 18 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.441 0.127 18183 10695 1 18 . 1 1 9 9 ASP C C 667 177.001 177.001 176.339 0.662 18183 10696 1 18 . 1 1 9 9 ASP CA C 667 51.991 51.991 54.189 -2.198 18183 10697 1 18 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.443 0.867 18183 10698 1 18 . 1 1 9 9 ASP H H 667 8.072 8.072 8.655 -0.583 18183 10699 1 18 . 1 1 10 10 TYR N N 668 125.329 125.329 121.712 3.617 18183 10700 1 18 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.306 -0.178 18183 10701 1 18 . 1 1 10 10 TYR C C 668 175.901 175.901 177.156 -1.255 18183 10702 1 18 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.320 1.237 18183 10703 1 18 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.325 -1.159 18183 10704 1 18 . 1 1 10 10 TYR H H 668 8.493 8.493 8.170 0.323 18183 10705 1 18 . 1 1 11 11 THR N N 669 108.533 108.533 113.521 -4.988 18183 10706 1 18 . 1 1 11 11 THR HA H 669 4.082 4.082 4.333 -0.251 18183 10707 1 18 . 1 1 11 11 THR C C 669 175.170 175.170 175.608 -0.438 18183 10708 1 18 . 1 1 11 11 THR CA C 669 64.701 64.701 64.650 0.051 18183 10709 1 18 . 1 1 11 11 THR CB C 669 68.924 68.924 68.226 0.698 18183 10710 1 18 . 1 1 11 11 THR H H 669 7.948 7.948 7.912 0.036 18183 10711 1 18 . 1 1 12 12 ALA N N 670 121.252 121.252 123.684 -2.432 18183 10712 1 18 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.043 -0.020 18183 10713 1 18 . 1 1 12 12 ALA C C 670 177.747 177.747 177.412 0.335 18183 10714 1 18 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.301 -0.802 18183 10715 1 18 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.652 0.575 18183 10716 1 18 . 1 1 12 12 ALA H H 670 7.366 7.366 7.834 -0.468 18183 10717 1 18 . 1 1 13 13 TYR N N 671 117.895 117.895 117.479 0.416 18183 10718 1 18 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.287 -0.035 18183 10719 1 18 . 1 1 13 13 TYR C C 671 176.545 176.545 174.749 1.796 18183 10720 1 18 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.150 1.322 18183 10721 1 18 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.042 -0.483 18183 10722 1 18 . 1 1 13 13 TYR H H 671 7.490 7.490 7.365 0.125 18183 10723 1 18 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.413 -0.113 18183 10724 1 18 . 1 1 14 14 PRO C C 672 173.638 173.638 175.925 -2.287 18183 10725 1 18 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.678 0.073 18183 10726 1 18 . 1 1 14 14 PRO CB C 672 31.244 31.244 32.085 -0.841 18183 10727 1 18 . 1 1 15 15 TRP N N 673 109.940 109.940 113.491 -3.551 18183 10728 1 18 . 1 1 15 15 TRP HA H 673 4.706 4.706 5.140 -0.434 18183 10729 1 18 . 1 1 15 15 TRP C C 673 175.471 175.471 174.405 1.066 18183 10730 1 18 . 1 1 15 15 TRP CA C 673 52.850 52.850 54.669 -1.819 18183 10731 1 18 . 1 1 15 15 TRP CB C 673 32.436 32.436 29.056 3.380 18183 10732 1 18 . 1 1 15 15 TRP H H 673 6.184 6.184 7.238 -1.054 18183 10733 1 18 . 1 1 16 16 PHE N N 674 123.228 123.228 122.434 0.794 18183 10734 1 18 . 1 1 16 16 PHE HA H 674 5.101 5.101 5.158 -0.057 18183 10735 1 18 . 1 1 16 16 PHE C C 674 174.684 174.684 173.853 0.831 18183 10736 1 18 . 1 1 16 16 PHE CA C 674 59.566 59.566 56.602 2.964 18183 10737 1 18 . 1 1 16 16 PHE CB C 674 39.968 39.968 42.036 -2.068 18183 10738 1 18 . 1 1 16 16 PHE H H 674 7.585 7.585 7.604 -0.019 18183 10739 1 18 . 1 1 17 17 ALA N N 675 130.573 130.573 125.111 5.462 18183 10740 1 18 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.622 0.220 18183 10741 1 18 . 1 1 17 17 ALA C C 675 177.161 177.161 177.014 0.147 18183 10742 1 18 . 1 1 17 17 ALA CA C 675 51.168 51.168 50.645 0.523 18183 10743 1 18 . 1 1 17 17 ALA CB C 675 21.968 21.968 19.247 2.721 18183 10744 1 18 . 1 1 17 17 ALA H H 675 9.004 9.004 7.805 1.199 18183 10745 1 18 . 1 1 18 18 GLY C C 676 174.000 174.000 173.137 0.863 18183 10746 1 18 . 1 1 18 18 GLY CA C 676 46.490 46.490 45.254 1.236 18183 10747 1 18 . 1 1 19 19 ASN N N 677 124.182 124.182 120.643 3.539 18183 10748 1 18 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.143 -0.137 18183 10749 1 18 . 1 1 19 19 ASN C C 677 174.916 174.916 174.883 0.033 18183 10750 1 18 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.376 0.229 18183 10751 1 18 . 1 1 19 19 ASN CB C 677 37.065 37.065 38.010 -0.945 18183 10752 1 18 . 1 1 19 19 ASN H H 677 8.657 8.657 8.475 0.182 18183 10753 1 18 . 1 1 20 20 MET N N 678 122.806 122.806 121.244 1.562 18183 10754 1 18 . 1 1 20 20 MET HA H 678 4.173 4.173 4.646 -0.473 18183 10755 1 18 . 1 1 20 20 MET C C 678 175.317 175.317 175.599 -0.282 18183 10756 1 18 . 1 1 20 20 MET CA C 678 56.274 56.274 54.527 1.747 18183 10757 1 18 . 1 1 20 20 MET CB C 678 35.581 35.581 35.230 0.351 18183 10758 1 18 . 1 1 20 20 MET H H 678 7.158 7.158 8.085 -0.927 18183 10759 1 18 . 1 1 21 21 GLU N N 679 124.655 124.655 120.602 4.053 18183 10760 1 18 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.509 -0.308 18183 10761 1 18 . 1 1 21 21 GLU C C 679 178.105 178.105 177.404 0.701 18183 10762 1 18 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.660 0.356 18183 10763 1 18 . 1 1 21 21 GLU CB C 679 30.890 30.890 31.098 -0.207 18183 10764 1 18 . 1 1 21 21 GLU H H 679 8.687 8.687 8.513 0.174 18183 10765 1 18 . 1 1 22 22 ARG N N 680 125.764 125.764 122.434 3.330 18183 10766 1 18 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.919 -0.639 18183 10767 1 18 . 1 1 22 22 ARG C C 680 177.559 177.559 178.374 -0.815 18183 10768 1 18 . 1 1 22 22 ARG CA C 680 61.054 61.054 59.971 1.083 18183 10769 1 18 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.097 -0.229 18183 10770 1 18 . 1 1 22 22 ARG H H 680 9.191 9.191 8.783 0.408 18183 10771 1 18 . 1 1 23 23 GLN N N 681 118.109 118.109 119.353 -1.244 18183 10772 1 18 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.069 -0.076 18183 10773 1 18 . 1 1 23 23 GLN C C 681 178.252 178.252 178.402 -0.150 18183 10774 1 18 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.447 0.152 18183 10775 1 18 . 1 1 23 23 GLN CB C 681 27.765 27.765 28.097 -0.332 18183 10776 1 18 . 1 1 23 23 GLN H H 681 9.085 9.085 8.565 0.520 18183 10777 1 18 . 1 1 24 24 GLN N N 682 118.128 118.128 117.389 0.739 18183 10778 1 18 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.074 -0.023 18183 10779 1 18 . 1 1 24 24 GLN C C 682 178.328 178.328 178.695 -0.367 18183 10780 1 18 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.180 -0.415 18183 10781 1 18 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.478 -0.246 18183 10782 1 18 . 1 1 24 24 GLN H H 682 7.287 7.287 8.548 -1.261 18183 10783 1 18 . 1 1 25 25 THR N N 683 116.436 116.436 116.746 -0.310 18183 10784 1 18 . 1 1 25 25 THR HA H 683 3.641 3.641 3.878 -0.237 18183 10785 1 18 . 1 1 25 25 THR CA C 683 67.504 67.504 67.642 -0.138 18183 10786 1 18 . 1 1 25 25 THR CB C 683 67.667 67.667 68.464 -0.797 18183 10787 1 18 . 1 1 25 25 THR H H 683 7.813 7.813 7.867 -0.054 18183 10788 1 18 . 1 1 26 26 ASP N N 684 123.084 123.084 121.439 1.645 18183 10789 1 18 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.441 -0.213 18183 10790 1 18 . 1 1 26 26 ASP C C 684 178.426 178.426 177.709 0.717 18183 10791 1 18 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.288 0.732 18183 10792 1 18 . 1 1 26 26 ASP CB C 684 39.826 39.826 40.930 -1.104 18183 10793 1 18 . 1 1 26 26 ASP H H 684 8.384 8.384 8.144 0.240 18183 10794 1 18 . 1 1 27 27 ASN N N 685 116.068 116.068 117.088 -1.020 18183 10795 1 18 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.540 -0.221 18183 10796 1 18 . 1 1 27 27 ASN C C 685 177.207 177.207 177.559 -0.352 18183 10797 1 18 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.139 0.608 18183 10798 1 18 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.431 -0.235 18183 10799 1 18 . 1 1 27 27 ASN H H 685 7.667 7.667 7.779 -0.112 18183 10800 1 18 . 1 1 28 28 LEU N N 686 120.906 120.906 120.594 0.312 18183 10801 1 18 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.332 -0.163 18183 10802 1 18 . 1 1 28 28 LEU C C 686 179.394 179.394 178.298 1.096 18183 10803 1 18 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.610 0.211 18183 10804 1 18 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.294 0.398 18183 10805 1 18 . 1 1 28 28 LEU H H 686 7.993 7.993 7.902 0.091 18183 10806 1 18 . 1 1 29 29 LEU N N 687 114.941 114.941 117.447 -2.506 18183 10807 1 18 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.653 -0.602 18183 10808 1 18 . 1 1 29 29 LEU C C 687 178.742 178.742 177.705 1.037 18183 10809 1 18 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.347 2.090 18183 10810 1 18 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.454 2.388 18183 10811 1 18 . 1 1 29 29 LEU H H 687 8.166 8.166 8.156 0.010 18183 10812 1 18 . 1 1 30 30 LYS N N 688 118.446 118.446 118.192 0.254 18183 10813 1 18 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.185 -0.472 18183 10814 1 18 . 1 1 30 30 LYS C C 688 177.260 177.260 177.572 -0.312 18183 10815 1 18 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.562 1.916 18183 10816 1 18 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.047 0.037 18183 10817 1 18 . 1 1 30 30 LYS H H 688 7.635 7.635 7.452 0.183 18183 10818 1 18 . 1 1 31 31 SER N N 689 111.039 111.039 112.605 -1.566 18183 10819 1 18 . 1 1 31 31 SER HA H 689 4.417 4.417 4.565 -0.148 18183 10820 1 18 . 1 1 31 31 SER C C 689 174.495 174.495 174.670 -0.175 18183 10821 1 18 . 1 1 31 31 SER CA C 689 58.387 58.387 58.494 -0.107 18183 10822 1 18 . 1 1 31 31 SER CB C 689 63.281 63.281 64.036 -0.755 18183 10823 1 18 . 1 1 31 31 SER H H 689 7.709 7.709 8.034 -0.325 18183 10824 1 18 . 1 1 32 32 HIS N N 690 120.253 120.253 121.491 -1.238 18183 10825 1 18 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.406 0.170 18183 10826 1 18 . 1 1 32 32 HIS C C 690 173.913 173.913 174.426 -0.513 18183 10827 1 18 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.522 -1.446 18183 10828 1 18 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.605 1.248 18183 10829 1 18 . 1 1 32 32 HIS H H 690 7.647 7.647 8.005 -0.358 18183 10830 1 18 . 1 1 33 33 ALA N N 691 120.403 120.403 123.639 -3.236 18183 10831 1 18 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.692 -0.414 18183 10832 1 18 . 1 1 33 33 ALA C C 691 179.503 179.503 176.475 3.028 18183 10833 1 18 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.069 0.648 18183 10834 1 18 . 1 1 33 33 ALA CB C 691 20.269 20.269 21.073 -0.804 18183 10835 1 18 . 1 1 33 33 ALA H H 691 8.452 8.452 8.729 -0.277 18183 10836 1 18 . 1 1 34 34 SER N N 692 117.464 117.464 115.244 2.220 18183 10837 1 18 . 1 1 34 34 SER HA H 692 4.047 4.047 4.764 -0.717 18183 10838 1 18 . 1 1 34 34 SER C C 692 175.307 175.307 176.171 -0.864 18183 10839 1 18 . 1 1 34 34 SER CA C 692 60.434 60.434 58.675 1.759 18183 10840 1 18 . 1 1 34 34 SER CB C 692 63.132 63.132 62.472 0.660 18183 10841 1 18 . 1 1 34 34 SER H H 692 9.002 9.002 8.502 0.500 18183 10842 1 18 . 1 1 35 35 GLY N N 693 113.364 113.364 114.637 -1.273 18183 10843 1 18 . 1 1 35 35 GLY C C 693 174.739 174.739 174.318 0.421 18183 10844 1 18 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.320 -0.470 18183 10845 1 18 . 1 1 35 35 GLY H H 693 9.873 9.873 9.552 0.321 18183 10846 1 18 . 1 1 36 36 THR N N 694 120.932 120.932 121.331 -0.399 18183 10847 1 18 . 1 1 36 36 THR HA H 694 5.923 5.923 5.172 0.751 18183 10848 1 18 . 1 1 36 36 THR C C 694 173.253 173.253 173.907 -0.654 18183 10849 1 18 . 1 1 36 36 THR CA C 694 63.429 63.429 64.275 -0.846 18183 10850 1 18 . 1 1 36 36 THR CB C 694 68.091 68.091 68.746 -0.655 18183 10851 1 18 . 1 1 36 36 THR H H 694 8.240 8.240 7.580 0.660 18183 10852 1 18 . 1 1 37 37 TYR N N 695 123.567 123.567 124.084 -0.517 18183 10853 1 18 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.125 0.851 18183 10854 1 18 . 1 1 37 37 TYR C C 695 171.737 171.737 173.366 -1.629 18183 10855 1 18 . 1 1 37 37 TYR CA C 695 55.235 55.235 55.182 0.053 18183 10856 1 18 . 1 1 37 37 TYR CB C 695 44.289 44.289 40.882 3.407 18183 10857 1 18 . 1 1 37 37 TYR H H 695 8.765 8.765 8.039 0.726 18183 10858 1 18 . 1 1 38 38 LEU N N 696 115.294 115.294 116.243 -0.949 18183 10859 1 18 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.424 -0.321 18183 10860 1 18 . 1 1 38 38 LEU C C 696 174.368 174.368 174.729 -0.361 18183 10861 1 18 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.075 -0.242 18183 10862 1 18 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.231 0.063 18183 10863 1 18 . 1 1 38 38 LEU H H 696 9.008 9.008 8.810 0.198 18183 10864 1 18 . 1 1 39 39 ILE N N 697 122.087 122.087 118.565 3.522 18183 10865 1 18 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.789 0.504 18183 10866 1 18 . 1 1 39 39 ILE C C 697 173.625 173.625 174.518 -0.893 18183 10867 1 18 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.722 -0.916 18183 10868 1 18 . 1 1 39 39 ILE CB C 697 38.766 38.766 42.288 -3.522 18183 10869 1 18 . 1 1 39 39 ILE H H 697 9.276 9.276 8.456 0.820 18183 10870 1 18 . 1 1 40 40 ARG N N 698 123.307 123.307 123.413 -0.106 18183 10871 1 18 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.940 0.204 18183 10872 1 18 . 1 1 40 40 ARG C C 698 173.789 173.789 174.399 -0.610 18183 10873 1 18 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.770 -1.599 18183 10874 1 18 . 1 1 40 40 ARG CB C 698 33.426 33.426 34.095 -0.669 18183 10875 1 18 . 1 1 40 40 ARG H H 698 9.032 9.032 8.865 0.167 18183 10876 1 18 . 1 1 41 41 GLU N N 699 122.502 122.502 120.675 1.827 18183 10877 1 18 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.716 0.275 18183 10878 1 18 . 1 1 41 41 GLU C C 699 175.788 175.788 174.464 1.324 18183 10879 1 18 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.004 -0.165 18183 10880 1 18 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.789 -0.866 18183 10881 1 18 . 1 1 41 41 GLU H H 699 8.453 8.453 8.246 0.207 18183 10882 1 18 . 1 1 42 42 ARG N N 700 125.039 125.039 123.851 1.188 18183 10883 1 18 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.806 -0.152 18183 10884 1 18 . 1 1 42 42 ARG H H 700 8.844 8.844 7.785 1.059 18183 10885 1 18 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.443 -0.228 18183 10886 1 18 . 1 1 43 43 PRO C C 701 176.485 176.485 175.072 1.413 18183 10887 1 18 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.199 0.831 18183 10888 1 18 . 1 1 43 43 PRO CB C 701 31.450 31.450 32.402 -0.952 18183 10889 1 18 . 1 1 44 44 ALA N N 702 120.718 120.718 125.700 -4.982 18183 10890 1 18 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.484 -0.241 18183 10891 1 18 . 1 1 44 44 ALA C C 702 176.924 176.924 176.914 0.010 18183 10892 1 18 . 1 1 44 44 ALA CA C 702 52.068 52.068 52.435 -0.367 18183 10893 1 18 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.192 -0.765 18183 10894 1 18 . 1 1 44 44 ALA H H 702 8.217 8.217 7.895 0.322 18183 10895 1 18 . 1 1 45 45 GLU N N 703 118.107 118.107 119.332 -1.225 18183 10896 1 18 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.412 -0.107 18183 10897 1 18 . 1 1 45 45 GLU C C 703 176.308 176.308 176.820 -0.512 18183 10898 1 18 . 1 1 45 45 GLU H H 703 7.638 7.638 9.020 -1.382 18183 10899 1 18 . 1 1 46 46 ALA N N 704 122.161 122.161 121.975 0.186 18183 10900 1 18 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.409 -0.274 18183 10901 1 18 . 1 1 46 46 ALA C C 704 178.439 178.439 175.973 2.466 18183 10902 1 18 . 1 1 46 46 ALA H H 704 8.596 8.596 7.643 0.953 18183 10903 1 18 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.562 0.084 18183 10904 1 18 . 1 1 47 47 GLU C C 705 175.340 175.340 175.488 -0.148 18183 10905 1 18 . 1 1 47 47 GLU H H 705 7.642 7.642 8.373 -0.731 18183 10906 1 18 . 1 1 48 48 ARG N N 706 122.871 122.871 122.308 0.563 18183 10907 1 18 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.503 0.137 18183 10908 1 18 . 1 1 48 48 ARG C C 706 175.645 175.645 174.361 1.284 18183 10909 1 18 . 1 1 48 48 ARG H H 706 8.163 8.163 8.760 -0.597 18183 10910 1 18 . 1 1 49 49 PHE N N 707 113.719 113.719 119.944 -6.225 18183 10911 1 18 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.977 0.807 18183 10912 1 18 . 1 1 49 49 PHE C C 707 174.536 174.536 173.960 0.576 18183 10913 1 18 . 1 1 49 49 PHE H H 707 8.370 8.370 7.580 0.790 18183 10914 1 18 . 1 1 50 50 ALA N N 708 119.650 119.650 125.181 -5.531 18183 10915 1 18 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.369 -0.249 18183 10916 1 18 . 1 1 50 50 ALA C C 708 175.964 175.964 175.271 0.693 18183 10917 1 18 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.777 0.236 18183 10918 1 18 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.674 -0.794 18183 10919 1 18 . 1 1 50 50 ALA H H 708 8.868 8.868 8.611 0.257 18183 10920 1 18 . 1 1 51 51 ILE N N 709 121.077 121.077 123.342 -2.265 18183 10921 1 18 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.584 0.063 18183 10922 1 18 . 1 1 51 51 ILE C C 709 175.049 175.049 175.038 0.011 18183 10923 1 18 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.382 0.117 18183 10924 1 18 . 1 1 51 51 ILE CB C 709 39.996 39.996 39.318 0.678 18183 10925 1 18 . 1 1 51 51 ILE H H 709 9.130 9.130 8.804 0.326 18183 10926 1 18 . 1 1 52 52 SER N N 710 125.122 125.122 122.964 2.158 18183 10927 1 18 . 1 1 52 52 SER HA H 710 5.454 5.454 5.380 0.074 18183 10928 1 18 . 1 1 52 52 SER C C 710 172.024 172.024 173.145 -1.121 18183 10929 1 18 . 1 1 52 52 SER CA C 710 57.614 57.614 56.916 0.698 18183 10930 1 18 . 1 1 52 52 SER CB C 710 64.989 64.989 64.700 0.289 18183 10931 1 18 . 1 1 52 52 SER H H 710 9.204 9.204 8.472 0.732 18183 10932 1 18 . 1 1 53 53 ILE N N 711 121.512 121.512 124.567 -3.055 18183 10933 1 18 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.935 0.204 18183 10934 1 18 . 1 1 53 53 ILE C C 711 173.093 173.093 173.108 -0.015 18183 10935 1 18 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.554 -1.921 18183 10936 1 18 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.073 -0.250 18183 10937 1 18 . 1 1 53 53 ILE H H 711 8.825 8.825 8.713 0.112 18183 10938 1 18 . 1 1 54 54 LYS N N 712 128.814 128.814 125.435 3.379 18183 10939 1 18 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.263 -0.508 18183 10940 1 18 . 1 1 54 54 LYS C C 712 174.850 174.850 174.472 0.378 18183 10941 1 18 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.501 -0.256 18183 10942 1 18 . 1 1 54 54 LYS CB C 712 33.334 33.334 34.124 -0.790 18183 10943 1 18 . 1 1 54 54 LYS H H 712 8.863 8.863 8.668 0.195 18183 10944 1 18 . 1 1 55 55 PHE N N 713 130.119 130.119 125.920 4.199 18183 10945 1 18 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.722 0.146 18183 10946 1 18 . 1 1 55 55 PHE C C 713 174.223 174.223 173.575 0.648 18183 10947 1 18 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.562 0.587 18183 10948 1 18 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.610 -2.008 18183 10949 1 18 . 1 1 55 55 PHE H H 713 9.373 9.373 8.640 0.733 18183 10950 1 18 . 1 1 56 56 ASN N N 714 125.766 125.766 120.683 5.083 18183 10951 1 18 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.124 -0.226 18183 10952 1 18 . 1 1 56 56 ASN C C 714 173.945 173.945 174.118 -0.173 18183 10953 1 18 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.851 1.155 18183 10954 1 18 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.893 -1.931 18183 10955 1 18 . 1 1 56 56 ASN H H 714 8.364 8.364 8.246 0.118 18183 10956 1 18 . 1 1 57 57 ASP N N 715 117.708 117.708 112.608 5.100 18183 10957 1 18 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.302 0.249 18183 10958 1 18 . 1 1 57 57 ASP C C 715 174.766 174.766 175.268 -0.502 18183 10959 1 18 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.596 -0.551 18183 10960 1 18 . 1 1 57 57 ASP CB C 715 40.577 40.577 39.698 0.879 18183 10961 1 18 . 1 1 57 57 ASP H H 715 8.536 8.536 8.786 -0.250 18183 10962 1 18 . 1 1 58 58 GLU N N 716 118.715 118.715 116.643 2.072 18183 10963 1 18 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.639 0.026 18183 10964 1 18 . 1 1 58 58 GLU C C 716 173.786 173.786 174.532 -0.746 18183 10965 1 18 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.355 -0.412 18183 10966 1 18 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.350 -0.187 18183 10967 1 18 . 1 1 58 58 GLU H H 716 7.873 7.873 7.632 0.241 18183 10968 1 18 . 1 1 59 59 VAL N N 717 120.798 120.798 122.965 -2.167 18183 10969 1 18 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.421 -0.048 18183 10970 1 18 . 1 1 59 59 VAL C C 717 175.325 175.325 175.295 0.030 18183 10971 1 18 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.934 0.005 18183 10972 1 18 . 1 1 59 59 VAL CB C 717 32.017 32.017 32.038 -0.021 18183 10973 1 18 . 1 1 59 59 VAL H H 717 8.473 8.473 8.626 -0.153 18183 10974 1 18 . 1 1 60 60 LYS N N 718 127.136 127.136 126.910 0.226 18183 10975 1 18 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.418 0.013 18183 10976 1 18 . 1 1 60 60 LYS C C 718 174.439 174.439 174.791 -0.352 18183 10977 1 18 . 1 1 60 60 LYS CA C 718 52.809 52.809 53.894 -1.085 18183 10978 1 18 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.738 -1.633 18183 10979 1 18 . 1 1 60 60 LYS H H 718 8.903 8.903 8.680 0.223 18183 10980 1 18 . 1 1 61 61 HIS N N 719 119.956 119.956 120.890 -0.934 18183 10981 1 18 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.729 0.494 18183 10982 1 18 . 1 1 61 61 HIS C C 719 175.173 175.173 174.488 0.685 18183 10983 1 18 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.020 0.140 18183 10984 1 18 . 1 1 61 61 HIS CB C 719 32.882 32.882 29.210 3.672 18183 10985 1 18 . 1 1 61 61 HIS H H 719 8.422 8.422 8.423 -0.001 18183 10986 1 18 . 1 1 62 62 ILE N N 720 126.629 126.629 124.730 1.899 18183 10987 1 18 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.252 -0.116 18183 10988 1 18 . 1 1 62 62 ILE C C 720 175.372 175.372 175.336 0.036 18183 10989 1 18 . 1 1 62 62 ILE CA C 720 59.976 59.976 61.245 -1.269 18183 10990 1 18 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.266 1.762 18183 10991 1 18 . 1 1 62 62 ILE H H 720 9.646 9.646 8.563 1.083 18183 10992 1 18 . 1 1 63 63 LYS N N 721 127.276 127.276 124.169 3.107 18183 10993 1 18 . 1 1 63 63 LYS HA H 721 4.227 4.227 5.072 -0.845 18183 10994 1 18 . 1 1 63 63 LYS C C 721 174.877 174.877 175.709 -0.832 18183 10995 1 18 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.113 2.427 18183 10996 1 18 . 1 1 63 63 LYS CB C 721 33.049 33.049 34.850 -1.802 18183 10997 1 18 . 1 1 63 63 LYS H H 721 8.741 8.741 8.214 0.527 18183 10998 1 18 . 1 1 64 64 VAL N N 722 123.343 123.343 119.614 3.729 18183 10999 1 18 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.333 -0.160 18183 11000 1 18 . 1 1 64 64 VAL C C 722 174.522 174.522 174.625 -0.103 18183 11001 1 18 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.789 0.706 18183 11002 1 18 . 1 1 64 64 VAL CB C 722 30.392 30.392 35.693 -5.301 18183 11003 1 18 . 1 1 64 64 VAL H H 722 8.166 8.166 8.843 -0.677 18183 11004 1 18 . 1 1 65 65 VAL N N 723 127.934 127.934 123.027 4.907 18183 11005 1 18 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.343 -0.197 18183 11006 1 18 . 1 1 65 65 VAL C C 723 174.212 174.212 174.533 -0.321 18183 11007 1 18 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.851 0.900 18183 11008 1 18 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.695 -0.416 18183 11009 1 18 . 1 1 65 65 VAL H H 723 8.469 8.469 7.810 0.659 18183 11010 1 18 . 1 1 66 66 GLU N N 724 125.632 125.632 127.921 -2.289 18183 11011 1 18 . 1 1 66 66 GLU HA H 724 5.156 5.156 4.445 0.711 18183 11012 1 18 . 1 1 66 66 GLU C C 724 175.573 175.573 175.810 -0.237 18183 11013 1 18 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.541 -0.984 18183 11014 1 18 . 1 1 66 66 GLU CB C 724 32.441 32.441 30.043 2.398 18183 11015 1 18 . 1 1 66 66 GLU H H 724 8.518 8.518 8.869 -0.351 18183 11016 1 18 . 1 1 67 67 LYS N N 725 125.857 125.857 125.909 -0.052 18183 11017 1 18 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.169 0.283 18183 11018 1 18 . 1 1 67 67 LYS C C 725 175.624 175.624 177.744 -2.120 18183 11019 1 18 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.199 0.055 18183 11020 1 18 . 1 1 67 67 LYS CB C 725 35.041 35.041 33.339 1.702 18183 11021 1 18 . 1 1 67 67 LYS H H 725 8.671 8.671 8.697 -0.026 18183 11022 1 18 . 1 1 68 68 ASP N N 726 127.302 127.302 119.274 8.028 18183 11023 1 18 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.457 -0.266 18183 11024 1 18 . 1 1 68 68 ASP C C 726 174.291 174.291 176.240 -1.949 18183 11025 1 18 . 1 1 68 68 ASP CA C 726 56.022 56.022 56.836 -0.814 18183 11026 1 18 . 1 1 68 68 ASP CB C 726 39.391 39.391 40.949 -1.558 18183 11027 1 18 . 1 1 68 68 ASP H H 726 9.485 9.485 8.724 0.761 18183 11028 1 18 . 1 1 69 69 ASN N N 727 110.250 110.250 113.378 -3.128 18183 11029 1 18 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.674 -0.451 18183 11030 1 18 . 1 1 69 69 ASN C C 727 173.825 173.825 172.781 1.044 18183 11031 1 18 . 1 1 69 69 ASN CA C 727 54.672 54.672 52.743 1.929 18183 11032 1 18 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.365 -1.021 18183 11033 1 18 . 1 1 69 69 ASN H H 727 8.344 8.344 8.471 -0.127 18183 11034 1 18 . 1 1 70 70 TRP N N 728 119.098 119.098 118.648 0.450 18183 11035 1 18 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.378 -0.062 18183 11036 1 18 . 1 1 70 70 TRP C C 728 174.989 174.989 174.633 0.356 18183 11037 1 18 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.179 0.533 18183 11038 1 18 . 1 1 70 70 TRP CB C 728 33.343 33.343 31.818 1.525 18183 11039 1 18 . 1 1 70 70 TRP H H 728 8.050 8.050 7.700 0.350 18183 11040 1 18 . 1 1 71 71 ILE N N 729 121.706 121.706 123.367 -1.661 18183 11041 1 18 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.396 0.116 18183 11042 1 18 . 1 1 71 71 ILE C C 729 175.265 175.265 174.166 1.099 18183 11043 1 18 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.449 -0.655 18183 11044 1 18 . 1 1 71 71 ILE CB C 729 41.091 41.091 40.837 0.254 18183 11045 1 18 . 1 1 71 71 ILE H H 729 9.298 9.298 8.828 0.470 18183 11046 1 18 . 1 1 72 72 HIS N N 730 121.063 121.063 124.295 -3.232 18183 11047 1 18 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.067 0.084 18183 11048 1 18 . 1 1 72 72 HIS C C 730 173.774 173.774 174.537 -0.763 18183 11049 1 18 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.382 1.137 18183 11050 1 18 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.719 0.790 18183 11051 1 18 . 1 1 72 72 HIS H H 730 9.024 9.024 7.937 1.087 18183 11052 1 18 . 1 1 73 73 ILE N N 731 112.363 112.363 116.121 -3.758 18183 11053 1 18 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.257 0.639 18183 11054 1 18 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.724 -0.422 18183 11055 1 18 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.663 0.725 18183 11056 1 18 . 1 1 73 73 ILE H H 731 9.425 9.425 8.695 0.730 18183 11057 1 18 . 1 1 74 74 THR N N 732 117.292 117.292 113.257 4.035 18183 11058 1 18 . 1 1 74 74 THR HA H 732 4.679 4.679 4.563 0.116 18183 11059 1 18 . 1 1 74 74 THR C C 732 173.467 173.467 174.037 -0.570 18183 11060 1 18 . 1 1 74 74 THR CA C 732 59.795 59.795 60.256 -0.461 18183 11061 1 18 . 1 1 74 74 THR CB C 732 69.896 69.896 71.673 -1.777 18183 11062 1 18 . 1 1 74 74 THR H H 732 8.421 8.421 7.841 0.580 18183 11063 1 18 . 1 1 75 75 GLU N N 733 123.689 123.689 122.210 1.479 18183 11064 1 18 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.429 -1.455 18183 11065 1 18 . 1 1 75 75 GLU C C 733 175.819 175.819 176.075 -0.256 18183 11066 1 18 . 1 1 75 75 GLU CA C 733 58.898 58.898 57.316 1.582 18183 11067 1 18 . 1 1 75 75 GLU CB C 733 28.991 28.991 28.792 0.199 18183 11068 1 18 . 1 1 75 75 GLU H H 733 8.615 8.615 8.677 -0.062 18183 11069 1 18 . 1 1 76 76 ALA N N 734 117.705 117.705 120.852 -3.147 18183 11070 1 18 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.322 -0.410 18183 11071 1 18 . 1 1 76 76 ALA C C 734 177.024 177.024 177.301 -0.277 18183 11072 1 18 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.847 0.415 18183 11073 1 18 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.720 0.077 18183 11074 1 18 . 1 1 76 76 ALA H H 734 7.654 7.654 7.866 -0.212 18183 11075 1 18 . 1 1 77 77 LYS N N 735 119.239 119.239 118.115 1.124 18183 11076 1 18 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.273 -0.182 18183 11077 1 18 . 1 1 77 77 LYS C C 735 172.048 172.048 174.040 -1.992 18183 11078 1 18 . 1 1 77 77 LYS CA C 735 54.373 54.373 56.102 -1.728 18183 11079 1 18 . 1 1 77 77 LYS CB C 735 33.343 33.343 35.268 -1.925 18183 11080 1 18 . 1 1 77 77 LYS H H 735 7.214 7.214 7.849 -0.635 18183 11081 1 18 . 1 1 78 78 LYS N N 736 123.194 123.194 123.744 -0.550 18183 11082 1 18 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.342 0.395 18183 11083 1 18 . 1 1 78 78 LYS C C 736 174.901 174.901 175.440 -0.539 18183 11084 1 18 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.068 -0.365 18183 11085 1 18 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.534 1.559 18183 11086 1 18 . 1 1 78 78 LYS H H 736 7.850 7.850 7.908 -0.058 18183 11087 1 18 . 1 1 79 79 PHE N N 737 117.645 117.645 119.933 -2.288 18183 11088 1 18 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.713 0.213 18183 11089 1 18 . 1 1 79 79 PHE C C 737 175.500 175.500 175.194 0.306 18183 11090 1 18 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.099 -0.186 18183 11091 1 18 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.658 0.810 18183 11092 1 18 . 1 1 79 79 PHE H H 737 9.079 9.079 8.224 0.855 18183 11093 1 18 . 1 1 80 80 ASP N N 738 119.264 119.264 120.151 -0.887 18183 11094 1 18 . 1 1 80 80 ASP HA H 738 4.717 4.717 4.407 0.310 18183 11095 1 18 . 1 1 80 80 ASP C C 738 176.014 176.014 175.656 0.358 18183 11096 1 18 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.270 0.375 18183 11097 1 18 . 1 1 80 80 ASP CB C 738 41.720 41.720 42.173 -0.453 18183 11098 1 18 . 1 1 80 80 ASP H H 738 9.332 9.332 8.847 0.485 18183 11099 1 18 . 1 1 81 81 SER N N 739 108.541 108.541 110.061 -1.520 18183 11100 1 18 . 1 1 81 81 SER HA H 739 4.649 4.649 4.609 0.040 18183 11101 1 18 . 1 1 81 81 SER C C 739 173.719 173.719 174.506 -0.787 18183 11102 1 18 . 1 1 81 81 SER CA C 739 57.148 57.148 56.823 0.325 18183 11103 1 18 . 1 1 81 81 SER CB C 739 66.475 66.475 67.039 -0.564 18183 11104 1 18 . 1 1 81 81 SER H H 739 7.379 7.379 7.639 -0.260 18183 11105 1 18 . 1 1 82 82 LEU N N 740 122.926 122.926 122.150 0.776 18183 11106 1 18 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.949 -0.193 18183 11107 1 18 . 1 1 82 82 LEU C C 740 177.267 177.267 178.204 -0.937 18183 11108 1 18 . 1 1 82 82 LEU CA C 740 57.834 57.834 58.342 -0.508 18183 11109 1 18 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.610 -1.027 18183 11110 1 18 . 1 1 82 82 LEU H H 740 8.939 8.939 8.415 0.524 18183 11111 1 18 . 1 1 83 83 LEU N N 741 116.722 116.722 117.672 -0.950 18183 11112 1 18 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.959 -0.184 18183 11113 1 18 . 1 1 83 83 LEU C C 741 177.528 177.528 178.321 -0.793 18183 11114 1 18 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.365 -0.226 18183 11115 1 18 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.246 0.431 18183 11116 1 18 . 1 1 83 83 LEU H H 741 7.814 7.814 7.839 -0.025 18183 11117 1 18 . 1 1 84 84 GLU N N 742 116.747 116.747 119.450 -2.703 18183 11118 1 18 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.993 -0.126 18183 11119 1 18 . 1 1 84 84 GLU C C 742 178.282 178.282 178.663 -0.381 18183 11120 1 18 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.620 -0.481 18183 11121 1 18 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.449 0.984 18183 11122 1 18 . 1 1 84 84 GLU H H 742 7.541 7.541 7.394 0.147 18183 11123 1 18 . 1 1 85 85 LEU N N 743 122.157 122.157 120.453 1.704 18183 11124 1 18 . 1 1 85 85 LEU HA H 743 1.963 1.963 1.896 0.067 18183 11125 1 18 . 1 1 85 85 LEU C C 743 177.315 177.315 178.400 -1.085 18183 11126 1 18 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.274 1.465 18183 11127 1 18 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.523 0.192 18183 11128 1 18 . 1 1 85 85 LEU H H 743 7.076 7.076 7.335 -0.259 18183 11129 1 18 . 1 1 86 86 VAL N N 744 119.754 119.754 118.237 1.517 18183 11130 1 18 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.487 -0.697 18183 11131 1 18 . 1 1 86 86 VAL C C 744 177.621 177.621 178.570 -0.949 18183 11132 1 18 . 1 1 86 86 VAL CA C 744 66.844 66.844 65.734 1.110 18183 11133 1 18 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.430 0.535 18183 11134 1 18 . 1 1 86 86 VAL H H 744 8.116 8.116 7.886 0.230 18183 11135 1 18 . 1 1 87 87 GLU N N 745 116.169 116.169 119.513 -3.344 18183 11136 1 18 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.996 -0.281 18183 11137 1 18 . 1 1 87 87 GLU C C 745 179.560 179.560 178.996 0.564 18183 11138 1 18 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.426 -0.104 18183 11139 1 18 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.669 -0.583 18183 11140 1 18 . 1 1 87 87 GLU H H 745 8.168 8.168 7.953 0.215 18183 11141 1 18 . 1 1 88 88 TYR N N 746 120.022 120.022 120.631 -0.609 18183 11142 1 18 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.183 -0.090 18183 11143 1 18 . 1 1 88 88 TYR C C 746 180.010 180.010 177.697 2.313 18183 11144 1 18 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.641 0.953 18183 11145 1 18 . 1 1 88 88 TYR CB C 746 38.828 38.828 39.498 -0.670 18183 11146 1 18 . 1 1 88 88 TYR H H 746 7.774 7.774 7.944 -0.170 18183 11147 1 18 . 1 1 89 89 TYR N N 747 118.480 118.480 117.550 0.930 18183 11148 1 18 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.448 0.607 18183 11149 1 18 . 1 1 89 89 TYR C C 747 175.796 175.796 176.469 -0.673 18183 11150 1 18 . 1 1 89 89 TYR CA C 747 61.137 61.137 56.978 4.159 18183 11151 1 18 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.842 -0.912 18183 11152 1 18 . 1 1 89 89 TYR H H 747 7.782 7.782 7.987 -0.205 18183 11153 1 18 . 1 1 90 90 GLN N N 748 118.696 118.696 117.576 1.120 18183 11154 1 18 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.500 0.889 18183 11155 1 18 . 1 1 90 90 GLN C C 748 177.777 177.777 177.540 0.237 18183 11156 1 18 . 1 1 90 90 GLN CA C 748 57.717 57.717 57.997 -0.280 18183 11157 1 18 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.251 0.269 18183 11158 1 18 . 1 1 90 90 GLN H H 748 7.838 7.838 7.961 -0.123 18183 11159 1 18 . 1 1 91 91 CYS N N 749 111.118 111.118 114.828 -3.710 18183 11160 1 18 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.481 0.121 18183 11161 1 18 . 1 1 91 91 CYS C C 749 172.887 172.887 175.444 -2.557 18183 11162 1 18 . 1 1 91 91 CYS CA C 749 57.434 57.434 59.734 -2.300 18183 11163 1 18 . 1 1 91 91 CYS CB C 749 29.266 29.266 28.125 1.141 18183 11164 1 18 . 1 1 91 91 CYS H H 749 7.145 7.145 7.557 -0.412 18183 11165 1 18 . 1 1 92 92 HIS N N 750 120.227 120.227 119.526 0.701 18183 11166 1 18 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.594 -0.262 18183 11167 1 18 . 1 1 92 92 HIS C C 750 171.842 171.842 174.017 -2.175 18183 11168 1 18 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.889 0.188 18183 11169 1 18 . 1 1 92 92 HIS CB C 750 29.376 29.376 30.367 -0.991 18183 11170 1 18 . 1 1 92 92 HIS H H 750 7.470 7.470 7.679 -0.209 18183 11171 1 18 . 1 1 93 93 SER N N 751 113.120 113.120 112.989 0.131 18183 11172 1 18 . 1 1 93 93 SER HA H 751 3.782 3.782 3.997 -0.215 18183 11173 1 18 . 1 1 93 93 SER C C 751 176.653 176.653 173.967 2.686 18183 11174 1 18 . 1 1 93 93 SER CA C 751 57.812 57.812 58.571 -0.758 18183 11175 1 18 . 1 1 93 93 SER CB C 751 62.783 62.783 63.640 -0.857 18183 11176 1 18 . 1 1 93 93 SER H H 751 8.404 8.404 7.487 0.917 18183 11177 1 18 . 1 1 94 94 LEU N N 752 127.293 127.293 115.685 11.608 18183 11178 1 18 . 1 1 94 94 LEU HA H 752 4.069 4.069 5.101 -1.032 18183 11179 1 18 . 1 1 94 94 LEU C C 752 177.524 177.524 177.484 0.040 18183 11180 1 18 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.444 2.952 18183 11181 1 18 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.403 1.085 18183 11182 1 18 . 1 1 94 94 LEU H H 752 8.553 8.553 8.079 0.474 18183 11183 1 18 . 1 1 95 95 LYS N N 753 122.249 122.249 119.733 2.516 18183 11184 1 18 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.369 -0.041 18183 11185 1 18 . 1 1 95 95 LYS C C 753 176.426 176.426 177.583 -1.157 18183 11186 1 18 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.100 -0.546 18183 11187 1 18 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.508 0.666 18183 11188 1 18 . 1 1 95 95 LYS H H 753 8.303 8.303 7.564 0.739 18183 11189 1 18 . 1 1 96 96 GLU N N 754 115.401 115.401 118.426 -3.025 18183 11190 1 18 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.127 -0.042 18183 11191 1 18 . 1 1 96 96 GLU C C 754 176.838 176.838 177.582 -0.744 18183 11192 1 18 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.618 -0.521 18183 11193 1 18 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.551 -0.051 18183 11194 1 18 . 1 1 96 96 GLU H H 754 7.188 7.188 8.699 -1.511 18183 11195 1 18 . 1 1 97 97 SER N N 755 113.852 113.852 113.486 0.366 18183 11196 1 18 . 1 1 97 97 SER HA H 755 4.402 4.402 4.482 -0.080 18183 11197 1 18 . 1 1 97 97 SER C C 755 172.067 172.067 174.455 -2.388 18183 11198 1 18 . 1 1 97 97 SER CA C 755 59.448 59.448 59.665 -0.217 18183 11199 1 18 . 1 1 97 97 SER CB C 755 65.680 65.680 64.878 0.802 18183 11200 1 18 . 1 1 97 97 SER H H 755 7.838 7.838 7.753 0.085 18183 11201 1 18 . 1 1 98 98 PHE N N 756 121.742 121.742 122.535 -0.793 18183 11202 1 18 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.776 -0.206 18183 11203 1 18 . 1 1 98 98 PHE C C 756 174.941 174.941 175.728 -0.787 18183 11204 1 18 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.703 0.045 18183 11205 1 18 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.970 0.311 18183 11206 1 18 . 1 1 98 98 PHE H H 756 8.223 8.223 8.372 -0.149 18183 11207 1 18 . 1 1 99 99 LYS N N 757 122.713 122.713 125.515 -2.802 18183 11208 1 18 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.055 0.016 18183 11209 1 18 . 1 1 99 99 LYS C C 757 176.793 176.793 177.787 -0.994 18183 11210 1 18 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.654 -0.497 18183 11211 1 18 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.533 -0.200 18183 11212 1 18 . 1 1 99 99 LYS H H 757 8.388 8.388 8.620 -0.232 18183 11213 1 18 . 1 1 100 100 GLN N N 758 114.972 114.972 116.837 -1.865 18183 11214 1 18 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.251 -0.090 18183 11215 1 18 . 1 1 100 100 GLN C C 758 175.591 175.591 177.347 -1.756 18183 11216 1 18 . 1 1 100 100 GLN CA C 758 56.469 56.469 57.864 -1.395 18183 11217 1 18 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.442 -0.455 18183 11218 1 18 . 1 1 100 100 GLN H H 758 8.662 8.662 8.437 0.225 18183 11219 1 18 . 1 1 101 101 LEU N N 759 124.472 124.472 121.323 3.149 18183 11220 1 18 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.627 -0.948 18183 11221 1 18 . 1 1 101 101 LEU C C 759 173.228 173.228 174.828 -1.600 18183 11222 1 18 . 1 1 101 101 LEU CA C 759 52.325 52.325 53.297 -0.972 18183 11223 1 18 . 1 1 101 101 LEU CB C 759 41.512 41.512 41.749 -0.237 18183 11224 1 18 . 1 1 101 101 LEU H H 759 7.884 7.884 7.427 0.457 18183 11225 1 18 . 1 1 102 102 ASP N N 760 119.321 119.321 121.434 -2.113 18183 11226 1 18 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.428 0.057 18183 11227 1 18 . 1 1 102 102 ASP C C 760 173.467 173.467 175.699 -2.232 18183 11228 1 18 . 1 1 102 102 ASP CA C 760 52.125 52.125 55.222 -3.097 18183 11229 1 18 . 1 1 102 102 ASP CB C 760 39.028 39.028 39.663 -0.635 18183 11230 1 18 . 1 1 102 102 ASP H H 760 6.594 6.594 7.574 -0.980 18183 11231 1 18 . 1 1 103 103 THR N N 761 117.213 117.213 117.399 -0.186 18183 11232 1 18 . 1 1 103 103 THR HA H 761 4.643 4.643 4.335 0.308 18183 11233 1 18 . 1 1 103 103 THR C C 761 172.158 172.158 172.255 -0.097 18183 11234 1 18 . 1 1 103 103 THR CA C 761 60.197 60.197 60.314 -0.117 18183 11235 1 18 . 1 1 103 103 THR CB C 761 69.046 69.046 69.613 -0.567 18183 11236 1 18 . 1 1 103 103 THR H H 761 7.637 7.637 7.400 0.237 18183 11237 1 18 . 1 1 104 104 THR N N 762 114.193 114.193 113.628 0.565 18183 11238 1 18 . 1 1 104 104 THR HA H 762 4.569 4.569 4.281 0.288 18183 11239 1 18 . 1 1 104 104 THR C C 762 175.698 175.698 173.538 2.160 18183 11240 1 18 . 1 1 104 104 THR CA C 762 60.808 60.808 59.343 1.464 18183 11241 1 18 . 1 1 104 104 THR CB C 762 70.636 70.636 71.130 -0.494 18183 11242 1 18 . 1 1 104 104 THR H H 762 7.284 7.284 7.957 -0.673 18183 11243 1 18 . 1 1 105 105 LEU N N 763 117.473 117.473 122.273 -4.800 18183 11244 1 18 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.770 -0.307 18183 11245 1 18 . 1 1 105 105 LEU C C 763 174.348 174.348 176.795 -2.447 18183 11246 1 18 . 1 1 105 105 LEU CA C 763 53.982 53.982 54.904 -0.922 18183 11247 1 18 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.540 -3.857 18183 11248 1 18 . 1 1 105 105 LEU H H 763 8.093 8.093 8.248 -0.155 18183 11249 1 18 . 1 1 106 106 LYS N N 764 127.491 127.491 124.012 3.479 18183 11250 1 18 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.151 -0.193 18183 11251 1 18 . 1 1 106 106 LYS C C 764 176.734 176.734 176.570 0.164 18183 11252 1 18 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.412 2.284 18183 11253 1 18 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.192 1.975 18183 11254 1 18 . 1 1 106 106 LYS H H 764 7.118 7.118 8.150 -1.032 18183 11255 1 18 . 1 1 107 107 TYR N N 765 115.804 115.804 116.773 -0.969 18183 11256 1 18 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.908 0.556 18183 11257 1 18 . 1 1 107 107 TYR C C 765 172.048 172.048 172.875 -0.827 18183 11258 1 18 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.207 -1.688 18183 11259 1 18 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.307 2.068 18183 11260 1 18 . 1 1 107 107 TYR H H 765 7.848 7.848 7.367 0.481 18183 11261 1 18 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.036 -0.410 18183 11262 1 18 . 1 1 108 108 PRO C C 766 180.469 180.469 176.225 4.244 18183 11263 1 18 . 1 1 109 109 TYR N N 767 122.791 122.791 116.266 6.525 18183 11264 1 18 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.030 -0.246 18183 11265 1 18 . 1 1 109 109 TYR C C 767 174.575 174.575 177.212 -2.637 18183 11266 1 18 . 1 1 109 109 TYR CA C 767 60.986 60.986 59.013 1.973 18183 11267 1 18 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.909 -0.283 18183 11268 1 18 . 1 1 109 109 TYR H H 767 8.306 8.306 8.358 -0.052 18183 11269 1 18 . 1 1 110 110 LYS N N 768 118.817 118.817 120.683 -1.866 18183 11270 1 18 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.560 0.343 18183 11271 1 18 . 1 1 110 110 LYS C C 768 176.259 176.259 177.138 -0.879 18183 11272 1 18 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.512 -1.917 18183 11273 1 18 . 1 1 110 110 LYS CB C 768 32.605 32.605 31.938 0.667 18183 11274 1 18 . 1 1 110 110 LYS H H 768 6.785 6.785 8.214 -1.429 18183 11275 1 18 . 1 1 111 111 SER N N 769 114.539 114.539 110.306 4.233 18183 11276 1 18 . 1 1 111 111 SER HA H 769 4.317 4.317 4.478 -0.161 18183 11277 1 18 . 1 1 111 111 SER C C 769 174.092 174.092 173.381 0.711 18183 11278 1 18 . 1 1 111 111 SER CA C 769 58.647 58.647 58.140 0.507 18183 11279 1 18 . 1 1 111 111 SER CB C 769 63.883 63.883 64.808 -0.925 18183 11280 1 18 . 1 1 111 111 SER H H 769 7.765 7.765 7.872 -0.107 18183 11281 1 18 . 1 1 112 112 ARG N N 770 122.458 122.458 122.566 -0.108 18183 11282 1 18 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.180 0.142 18183 11283 1 18 . 1 1 112 112 ARG C C 770 175.130 175.130 175.066 0.064 18183 11284 1 18 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.494 -0.830 18183 11285 1 18 . 1 1 112 112 ARG CB C 770 30.880 30.880 29.291 1.589 18183 11286 1 18 . 1 1 112 112 ARG H H 770 8.082 8.082 8.359 -0.277 18183 11287 1 19 . 1 1 2 2 ARG N N 660 123.546 123.546 121.270 2.276 18183 11288 1 19 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.573 0.003 18183 11289 1 19 . 1 1 2 2 ARG CA C 660 53.850 53.850 55.243 -1.393 18183 11290 1 19 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.776 -0.429 18183 11291 1 19 . 1 1 2 2 ARG H H 660 8.258 8.258 8.556 -0.298 18183 11292 1 19 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.525 -0.169 18183 11293 1 19 . 1 1 4 4 PRO C C 662 177.047 177.047 176.801 0.246 18183 11294 1 19 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.784 0.437 18183 11295 1 19 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.415 -0.440 18183 11296 1 19 . 1 1 5 5 SER N N 663 116.108 116.108 119.155 -3.047 18183 11297 1 19 . 1 1 5 5 SER HA H 663 4.335 4.335 4.452 -0.117 18183 11298 1 19 . 1 1 5 5 SER C C 663 174.708 174.708 175.663 -0.955 18183 11299 1 19 . 1 1 5 5 SER CA C 663 58.639 58.639 58.692 -0.053 18183 11300 1 19 . 1 1 5 5 SER CB C 663 63.849 63.849 63.875 -0.026 18183 11301 1 19 . 1 1 5 5 SER H H 663 8.385 8.385 8.597 -0.212 18183 11302 1 19 . 1 1 6 6 ARG N N 664 122.132 122.132 120.703 1.429 18183 11303 1 19 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.429 -0.110 18183 11304 1 19 . 1 1 6 6 ARG C C 664 175.951 175.951 175.145 0.806 18183 11305 1 19 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.792 -0.861 18183 11306 1 19 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.891 -0.059 18183 11307 1 19 . 1 1 6 6 ARG H H 664 8.347 8.347 8.491 -0.143 18183 11308 1 19 . 1 1 7 7 GLU N N 665 122.268 122.268 119.868 2.400 18183 11309 1 19 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.395 -0.133 18183 11310 1 19 . 1 1 7 7 GLU C C 665 175.809 175.809 174.978 0.831 18183 11311 1 19 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.831 0.339 18183 11312 1 19 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.130 -0.222 18183 11313 1 19 . 1 1 7 7 GLU H H 665 8.336 8.336 8.183 0.153 18183 11314 1 19 . 1 1 8 8 ILE N N 666 123.984 123.984 123.223 0.761 18183 11315 1 19 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.019 -0.239 18183 11316 1 19 . 1 1 8 8 ILE C C 666 174.325 174.325 175.372 -1.047 18183 11317 1 19 . 1 1 8 8 ILE CA C 666 60.809 60.809 61.626 -0.817 18183 11318 1 19 . 1 1 8 8 ILE CB C 666 39.233 39.233 37.849 1.384 18183 11319 1 19 . 1 1 8 8 ILE H H 666 7.920 7.920 8.037 -0.117 18183 11320 1 19 . 1 1 9 9 ASP N N 667 124.228 124.228 126.610 -2.382 18183 11321 1 19 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.509 0.059 18183 11322 1 19 . 1 1 9 9 ASP C C 667 177.001 177.001 175.854 1.147 18183 11323 1 19 . 1 1 9 9 ASP CA C 667 51.991 51.991 52.842 -0.851 18183 11324 1 19 . 1 1 9 9 ASP CB C 667 40.310 40.310 40.463 -0.153 18183 11325 1 19 . 1 1 9 9 ASP H H 667 8.072 8.072 8.379 -0.307 18183 11326 1 19 . 1 1 10 10 TYR N N 668 125.329 125.329 121.326 4.003 18183 11327 1 19 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.402 -0.274 18183 11328 1 19 . 1 1 10 10 TYR C C 668 175.901 175.901 176.510 -0.609 18183 11329 1 19 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.510 1.047 18183 11330 1 19 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.611 -1.445 18183 11331 1 19 . 1 1 10 10 TYR H H 668 8.493 8.493 7.946 0.547 18183 11332 1 19 . 1 1 11 11 THR N N 669 108.533 108.533 111.853 -3.320 18183 11333 1 19 . 1 1 11 11 THR HA H 669 4.082 4.082 3.760 0.322 18183 11334 1 19 . 1 1 11 11 THR C C 669 175.170 175.170 175.361 -0.191 18183 11335 1 19 . 1 1 11 11 THR CA C 669 64.701 64.701 63.547 1.154 18183 11336 1 19 . 1 1 11 11 THR CB C 669 68.924 68.924 67.897 1.026 18183 11337 1 19 . 1 1 11 11 THR H H 669 7.948 7.948 7.267 0.681 18183 11338 1 19 . 1 1 12 12 ALA N N 670 121.252 121.252 122.375 -1.123 18183 11339 1 19 . 1 1 12 12 ALA HA H 670 4.023 4.023 3.975 0.048 18183 11340 1 19 . 1 1 12 12 ALA C C 670 177.747 177.747 177.608 0.139 18183 11341 1 19 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.082 -0.583 18183 11342 1 19 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.400 0.827 18183 11343 1 19 . 1 1 12 12 ALA H H 670 7.366 7.366 7.307 0.059 18183 11344 1 19 . 1 1 13 13 TYR N N 671 117.895 117.895 117.645 0.250 18183 11345 1 19 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.108 0.144 18183 11346 1 19 . 1 1 13 13 TYR C C 671 176.545 176.545 174.990 1.555 18183 11347 1 19 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.650 0.822 18183 11348 1 19 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.003 -0.444 18183 11349 1 19 . 1 1 13 13 TYR H H 671 7.490 7.490 6.988 0.502 18183 11350 1 19 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.293 0.007 18183 11351 1 19 . 1 1 14 14 PRO C C 672 173.638 173.638 175.950 -2.312 18183 11352 1 19 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.572 0.179 18183 11353 1 19 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.857 -0.613 18183 11354 1 19 . 1 1 15 15 TRP N N 673 109.940 109.940 114.940 -5.000 18183 11355 1 19 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.773 -0.067 18183 11356 1 19 . 1 1 15 15 TRP C C 673 175.471 175.471 176.902 -1.431 18183 11357 1 19 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.649 -2.799 18183 11358 1 19 . 1 1 15 15 TRP CB C 673 32.436 32.436 29.078 3.358 18183 11359 1 19 . 1 1 15 15 TRP H H 673 6.184 6.184 7.443 -1.259 18183 11360 1 19 . 1 1 16 16 PHE N N 674 123.228 123.228 120.700 2.528 18183 11361 1 19 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.661 0.440 18183 11362 1 19 . 1 1 16 16 PHE C C 674 174.684 174.684 175.051 -0.367 18183 11363 1 19 . 1 1 16 16 PHE CA C 674 59.566 59.566 59.750 -0.184 18183 11364 1 19 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.812 -0.844 18183 11365 1 19 . 1 1 16 16 PHE H H 674 7.585 7.585 7.668 -0.083 18183 11366 1 19 . 1 1 17 17 ALA N N 675 130.573 130.573 126.973 3.600 18183 11367 1 19 . 1 1 17 17 ALA HA H 675 4.842 4.842 5.241 -0.399 18183 11368 1 19 . 1 1 17 17 ALA C C 675 177.161 177.161 176.730 0.431 18183 11369 1 19 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.737 -0.570 18183 11370 1 19 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.406 0.562 18183 11371 1 19 . 1 1 17 17 ALA H H 675 9.004 9.004 8.661 0.343 18183 11372 1 19 . 1 1 18 18 GLY C C 676 174.000 174.000 172.323 1.677 18183 11373 1 19 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.654 1.835 18183 11374 1 19 . 1 1 19 19 ASN N N 677 124.182 124.182 120.753 3.429 18183 11375 1 19 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.068 -0.062 18183 11376 1 19 . 1 1 19 19 ASN C C 677 174.916 174.916 174.684 0.232 18183 11377 1 19 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.822 -0.217 18183 11378 1 19 . 1 1 19 19 ASN CB C 677 37.065 37.065 38.235 -1.170 18183 11379 1 19 . 1 1 19 19 ASN H H 677 8.657 8.657 8.610 0.047 18183 11380 1 19 . 1 1 20 20 MET N N 678 122.806 122.806 120.551 2.255 18183 11381 1 19 . 1 1 20 20 MET HA H 678 4.173 4.173 4.659 -0.486 18183 11382 1 19 . 1 1 20 20 MET C C 678 175.317 175.317 175.775 -0.458 18183 11383 1 19 . 1 1 20 20 MET CA C 678 56.274 56.274 54.476 1.798 18183 11384 1 19 . 1 1 20 20 MET CB C 678 35.581 35.581 34.856 0.725 18183 11385 1 19 . 1 1 20 20 MET H H 678 7.158 7.158 7.554 -0.396 18183 11386 1 19 . 1 1 21 21 GLU N N 679 124.655 124.655 121.406 3.249 18183 11387 1 19 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.223 -0.022 18183 11388 1 19 . 1 1 21 21 GLU C C 679 178.105 178.105 177.830 0.275 18183 11389 1 19 . 1 1 21 21 GLU CA C 679 56.016 56.016 56.994 -0.978 18183 11390 1 19 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.230 0.660 18183 11391 1 19 . 1 1 21 21 GLU H H 679 8.687 8.687 8.730 -0.043 18183 11392 1 19 . 1 1 22 22 ARG N N 680 125.764 125.764 121.552 4.212 18183 11393 1 19 . 1 1 22 22 ARG HA H 680 3.280 3.280 4.058 -0.778 18183 11394 1 19 . 1 1 22 22 ARG C C 680 177.559 177.559 178.923 -1.364 18183 11395 1 19 . 1 1 22 22 ARG CA C 680 61.054 61.054 59.644 1.410 18183 11396 1 19 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.239 -0.371 18183 11397 1 19 . 1 1 22 22 ARG H H 680 9.191 9.191 8.725 0.466 18183 11398 1 19 . 1 1 23 23 GLN N N 681 118.109 118.109 120.012 -1.903 18183 11399 1 19 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.123 -0.130 18183 11400 1 19 . 1 1 23 23 GLN C C 681 178.252 178.252 178.346 -0.094 18183 11401 1 19 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.046 0.553 18183 11402 1 19 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.853 -0.088 18183 11403 1 19 . 1 1 23 23 GLN H H 681 9.085 9.085 8.571 0.514 18183 11404 1 19 . 1 1 24 24 GLN N N 682 118.128 118.128 117.158 0.970 18183 11405 1 19 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.067 -0.016 18183 11406 1 19 . 1 1 24 24 GLN C C 682 178.328 178.328 178.635 -0.307 18183 11407 1 19 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.147 -0.382 18183 11408 1 19 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.385 -0.153 18183 11409 1 19 . 1 1 24 24 GLN H H 682 7.287 7.287 8.638 -1.351 18183 11410 1 19 . 1 1 25 25 THR N N 683 116.436 116.436 116.728 -0.292 18183 11411 1 19 . 1 1 25 25 THR HA H 683 3.641 3.641 3.875 -0.234 18183 11412 1 19 . 1 1 25 25 THR CA C 683 67.504 67.504 66.894 0.609 18183 11413 1 19 . 1 1 25 25 THR CB C 683 67.667 67.667 68.600 -0.933 18183 11414 1 19 . 1 1 25 25 THR H H 683 7.813 7.813 7.495 0.318 18183 11415 1 19 . 1 1 26 26 ASP N N 684 123.084 123.084 121.370 1.714 18183 11416 1 19 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.421 -0.193 18183 11417 1 19 . 1 1 26 26 ASP C C 684 178.426 178.426 177.872 0.554 18183 11418 1 19 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.006 1.014 18183 11419 1 19 . 1 1 26 26 ASP CB C 684 39.826 39.826 40.890 -1.064 18183 11420 1 19 . 1 1 26 26 ASP H H 684 8.384 8.384 7.763 0.621 18183 11421 1 19 . 1 1 27 27 ASN N N 685 116.068 116.068 117.459 -1.391 18183 11422 1 19 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.491 -0.172 18183 11423 1 19 . 1 1 27 27 ASN C C 685 177.207 177.207 177.732 -0.525 18183 11424 1 19 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.334 0.414 18183 11425 1 19 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.551 -0.354 18183 11426 1 19 . 1 1 27 27 ASN H H 685 7.667 7.667 7.843 -0.176 18183 11427 1 19 . 1 1 28 28 LEU N N 686 120.906 120.906 120.303 0.603 18183 11428 1 19 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.171 -0.002 18183 11429 1 19 . 1 1 28 28 LEU C C 686 179.394 179.394 177.990 1.404 18183 11430 1 19 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.309 0.512 18183 11431 1 19 . 1 1 28 28 LEU CB C 686 42.692 42.692 41.934 0.757 18183 11432 1 19 . 1 1 28 28 LEU H H 686 7.993 7.993 7.709 0.284 18183 11433 1 19 . 1 1 29 29 LEU N N 687 114.941 114.941 115.362 -0.421 18183 11434 1 19 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.744 -0.693 18183 11435 1 19 . 1 1 29 29 LEU C C 687 178.742 178.742 177.257 1.485 18183 11436 1 19 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.573 1.864 18183 11437 1 19 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.131 1.711 18183 11438 1 19 . 1 1 29 29 LEU H H 687 8.166 8.166 7.786 0.380 18183 11439 1 19 . 1 1 30 30 LYS N N 688 118.446 118.446 119.530 -1.084 18183 11440 1 19 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.164 -0.451 18183 11441 1 19 . 1 1 30 30 LYS C C 688 177.260 177.260 177.363 -0.103 18183 11442 1 19 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.408 2.070 18183 11443 1 19 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.185 -0.101 18183 11444 1 19 . 1 1 30 30 LYS H H 688 7.635 7.635 7.569 0.066 18183 11445 1 19 . 1 1 31 31 SER N N 689 111.039 111.039 111.428 -0.389 18183 11446 1 19 . 1 1 31 31 SER HA H 689 4.417 4.417 4.581 -0.164 18183 11447 1 19 . 1 1 31 31 SER C C 689 174.495 174.495 174.413 0.082 18183 11448 1 19 . 1 1 31 31 SER CA C 689 58.387 58.387 57.377 1.010 18183 11449 1 19 . 1 1 31 31 SER CB C 689 63.281 63.281 63.772 -0.491 18183 11450 1 19 . 1 1 31 31 SER H H 689 7.709 7.709 7.953 -0.244 18183 11451 1 19 . 1 1 32 32 HIS N N 690 120.253 120.253 121.807 -1.554 18183 11452 1 19 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.644 -0.068 18183 11453 1 19 . 1 1 32 32 HIS C C 690 173.913 173.913 175.496 -1.583 18183 11454 1 19 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.761 -0.685 18183 11455 1 19 . 1 1 32 32 HIS CB C 690 31.853 31.853 30.840 1.013 18183 11456 1 19 . 1 1 32 32 HIS H H 690 7.647 7.647 7.315 0.332 18183 11457 1 19 . 1 1 33 33 ALA N N 691 120.403 120.403 123.938 -3.535 18183 11458 1 19 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.425 -0.147 18183 11459 1 19 . 1 1 33 33 ALA C C 691 179.503 179.503 176.873 2.630 18183 11460 1 19 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.733 -0.015 18183 11461 1 19 . 1 1 33 33 ALA CB C 691 20.269 20.269 19.872 0.397 18183 11462 1 19 . 1 1 33 33 ALA H H 691 8.452 8.452 8.647 -0.195 18183 11463 1 19 . 1 1 34 34 SER N N 692 117.464 117.464 115.632 1.832 18183 11464 1 19 . 1 1 34 34 SER HA H 692 4.047 4.047 5.024 -0.977 18183 11465 1 19 . 1 1 34 34 SER C C 692 175.307 175.307 176.080 -0.773 18183 11466 1 19 . 1 1 34 34 SER CA C 692 60.434 60.434 59.630 0.804 18183 11467 1 19 . 1 1 34 34 SER CB C 692 63.132 63.132 63.317 -0.185 18183 11468 1 19 . 1 1 34 34 SER H H 692 9.002 9.002 8.429 0.573 18183 11469 1 19 . 1 1 35 35 GLY N N 693 113.364 113.364 114.411 -1.047 18183 11470 1 19 . 1 1 35 35 GLY C C 693 174.739 174.739 173.860 0.879 18183 11471 1 19 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.001 -0.151 18183 11472 1 19 . 1 1 35 35 GLY H H 693 9.873 9.873 9.292 0.581 18183 11473 1 19 . 1 1 36 36 THR N N 694 120.932 120.932 120.291 0.641 18183 11474 1 19 . 1 1 36 36 THR HA H 694 5.923 5.923 5.423 0.500 18183 11475 1 19 . 1 1 36 36 THR C C 694 173.253 173.253 173.747 -0.494 18183 11476 1 19 . 1 1 36 36 THR CA C 694 63.429 63.429 63.188 0.241 18183 11477 1 19 . 1 1 36 36 THR CB C 694 68.091 68.091 69.114 -1.023 18183 11478 1 19 . 1 1 36 36 THR H H 694 8.240 8.240 7.564 0.676 18183 11479 1 19 . 1 1 37 37 TYR N N 695 123.567 123.567 125.404 -1.837 18183 11480 1 19 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.426 0.550 18183 11481 1 19 . 1 1 37 37 TYR C C 695 171.737 171.737 173.130 -1.393 18183 11482 1 19 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.776 0.459 18183 11483 1 19 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.081 3.208 18183 11484 1 19 . 1 1 37 37 TYR H H 695 8.765 8.765 8.728 0.037 18183 11485 1 19 . 1 1 38 38 LEU N N 696 115.294 115.294 116.686 -1.392 18183 11486 1 19 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.119 -0.016 18183 11487 1 19 . 1 1 38 38 LEU C C 696 174.368 174.368 174.577 -0.209 18183 11488 1 19 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.158 -0.326 18183 11489 1 19 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.071 0.223 18183 11490 1 19 . 1 1 38 38 LEU H H 696 9.008 9.008 8.887 0.121 18183 11491 1 19 . 1 1 39 39 ILE N N 697 122.087 122.087 120.623 1.464 18183 11492 1 19 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.540 0.753 18183 11493 1 19 . 1 1 39 39 ILE C C 697 173.625 173.625 174.863 -1.238 18183 11494 1 19 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.322 -0.516 18183 11495 1 19 . 1 1 39 39 ILE CB C 697 38.766 38.766 39.848 -1.082 18183 11496 1 19 . 1 1 39 39 ILE H H 697 9.276 9.276 8.305 0.971 18183 11497 1 19 . 1 1 40 40 ARG N N 698 123.307 123.307 125.275 -1.968 18183 11498 1 19 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.554 0.590 18183 11499 1 19 . 1 1 40 40 ARG C C 698 173.789 173.789 174.208 -0.419 18183 11500 1 19 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.868 -1.697 18183 11501 1 19 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.906 -0.479 18183 11502 1 19 . 1 1 40 40 ARG H H 698 9.032 9.032 8.114 0.918 18183 11503 1 19 . 1 1 41 41 GLU N N 699 122.502 122.502 121.120 1.382 18183 11504 1 19 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.524 0.467 18183 11505 1 19 . 1 1 41 41 GLU C C 699 175.788 175.788 174.875 0.913 18183 11506 1 19 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.807 -0.968 18183 11507 1 19 . 1 1 41 41 GLU CB C 699 32.923 32.923 32.243 0.680 18183 11508 1 19 . 1 1 41 41 GLU H H 699 8.453 8.453 8.159 0.294 18183 11509 1 19 . 1 1 42 42 ARG N N 700 125.039 125.039 126.414 -1.375 18183 11510 1 19 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.747 -0.093 18183 11511 1 19 . 1 1 42 42 ARG H H 700 8.844 8.844 7.788 1.056 18183 11512 1 19 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.175 0.040 18183 11513 1 19 . 1 1 43 43 PRO C C 701 176.485 176.485 175.986 0.499 18183 11514 1 19 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.150 0.880 18183 11515 1 19 . 1 1 43 43 PRO CB C 701 31.450 31.450 32.055 -0.605 18183 11516 1 19 . 1 1 44 44 ALA N N 702 120.718 120.718 127.939 -7.221 18183 11517 1 19 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.490 -0.247 18183 11518 1 19 . 1 1 44 44 ALA C C 702 176.924 176.924 176.444 0.480 18183 11519 1 19 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.663 0.405 18183 11520 1 19 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.841 -1.414 18183 11521 1 19 . 1 1 44 44 ALA H H 702 8.217 8.217 7.818 0.399 18183 11522 1 19 . 1 1 45 45 GLU N N 703 118.107 118.107 118.434 -0.327 18183 11523 1 19 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.142 0.163 18183 11524 1 19 . 1 1 45 45 GLU C C 703 176.308 176.308 177.864 -1.556 18183 11525 1 19 . 1 1 45 45 GLU H H 703 7.638 7.638 8.750 -1.112 18183 11526 1 19 . 1 1 46 46 ALA N N 704 122.161 122.161 122.611 -0.450 18183 11527 1 19 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.413 -0.278 18183 11528 1 19 . 1 1 46 46 ALA C C 704 178.439 178.439 178.028 0.411 18183 11529 1 19 . 1 1 46 46 ALA H H 704 8.596 8.596 7.825 0.771 18183 11530 1 19 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.615 0.031 18183 11531 1 19 . 1 1 47 47 GLU C C 705 175.340 175.340 176.251 -0.911 18183 11532 1 19 . 1 1 47 47 GLU H H 705 7.642 7.642 8.221 -0.579 18183 11533 1 19 . 1 1 48 48 ARG N N 706 122.871 122.871 119.991 2.880 18183 11534 1 19 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.461 0.179 18183 11535 1 19 . 1 1 48 48 ARG C C 706 175.645 175.645 175.437 0.208 18183 11536 1 19 . 1 1 48 48 ARG H H 706 8.163 8.163 8.633 -0.470 18183 11537 1 19 . 1 1 49 49 PHE N N 707 113.719 113.719 115.312 -1.593 18183 11538 1 19 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.841 0.943 18183 11539 1 19 . 1 1 49 49 PHE C C 707 174.536 174.536 173.980 0.556 18183 11540 1 19 . 1 1 49 49 PHE H H 707 8.370 8.370 7.684 0.686 18183 11541 1 19 . 1 1 50 50 ALA N N 708 119.650 119.650 121.210 -1.560 18183 11542 1 19 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.213 -0.093 18183 11543 1 19 . 1 1 50 50 ALA C C 708 175.964 175.964 175.255 0.709 18183 11544 1 19 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.413 0.600 18183 11545 1 19 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.978 -1.098 18183 11546 1 19 . 1 1 50 50 ALA H H 708 8.868 8.868 8.714 0.154 18183 11547 1 19 . 1 1 51 51 ILE N N 709 121.077 121.077 119.783 1.294 18183 11548 1 19 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.517 0.130 18183 11549 1 19 . 1 1 51 51 ILE C C 709 175.049 175.049 174.435 0.614 18183 11550 1 19 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.385 0.115 18183 11551 1 19 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.505 -0.509 18183 11552 1 19 . 1 1 51 51 ILE H H 709 9.130 9.130 8.810 0.320 18183 11553 1 19 . 1 1 52 52 SER N N 710 125.122 125.122 122.433 2.689 18183 11554 1 19 . 1 1 52 52 SER HA H 710 5.454 5.454 5.183 0.271 18183 11555 1 19 . 1 1 52 52 SER C C 710 172.024 172.024 173.128 -1.104 18183 11556 1 19 . 1 1 52 52 SER CA C 710 57.614 57.614 56.907 0.707 18183 11557 1 19 . 1 1 52 52 SER CB C 710 64.989 64.989 64.505 0.484 18183 11558 1 19 . 1 1 52 52 SER H H 710 9.204 9.204 8.503 0.701 18183 11559 1 19 . 1 1 53 53 ILE N N 711 121.512 121.512 122.875 -1.363 18183 11560 1 19 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.993 0.146 18183 11561 1 19 . 1 1 53 53 ILE C C 711 173.093 173.093 173.385 -0.292 18183 11562 1 19 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.262 -1.629 18183 11563 1 19 . 1 1 53 53 ILE CB C 711 42.823 42.823 43.186 -0.363 18183 11564 1 19 . 1 1 53 53 ILE H H 711 8.825 8.825 8.008 0.817 18183 11565 1 19 . 1 1 54 54 LYS N N 712 128.814 128.814 125.095 3.719 18183 11566 1 19 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.101 -0.346 18183 11567 1 19 . 1 1 54 54 LYS C C 712 174.850 174.850 174.489 0.361 18183 11568 1 19 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.636 -0.391 18183 11569 1 19 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.436 -0.102 18183 11570 1 19 . 1 1 54 54 LYS H H 712 8.863 8.863 8.563 0.300 18183 11571 1 19 . 1 1 55 55 PHE N N 713 130.119 130.119 125.295 4.824 18183 11572 1 19 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.774 0.094 18183 11573 1 19 . 1 1 55 55 PHE C C 713 174.223 174.223 174.354 -0.131 18183 11574 1 19 . 1 1 55 55 PHE CA C 713 58.149 58.149 56.691 1.458 18183 11575 1 19 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.435 -1.833 18183 11576 1 19 . 1 1 55 55 PHE H H 713 9.373 9.373 8.439 0.934 18183 11577 1 19 . 1 1 56 56 ASN N N 714 125.766 125.766 124.588 1.178 18183 11578 1 19 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.146 -0.248 18183 11579 1 19 . 1 1 56 56 ASN C C 714 173.945 173.945 174.393 -0.448 18183 11580 1 19 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.598 1.408 18183 11581 1 19 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.899 -1.937 18183 11582 1 19 . 1 1 56 56 ASN H H 714 8.364 8.364 8.794 -0.430 18183 11583 1 19 . 1 1 57 57 ASP N N 715 117.708 117.708 112.656 5.052 18183 11584 1 19 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.208 0.343 18183 11585 1 19 . 1 1 57 57 ASP C C 715 174.766 174.766 174.482 0.284 18183 11586 1 19 . 1 1 57 57 ASP CA C 715 55.045 55.045 56.226 -1.181 18183 11587 1 19 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.108 0.469 18183 11588 1 19 . 1 1 57 57 ASP H H 715 8.536 8.536 8.581 -0.045 18183 11589 1 19 . 1 1 58 58 GLU N N 716 118.715 118.715 117.312 1.403 18183 11590 1 19 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.643 0.022 18183 11591 1 19 . 1 1 58 58 GLU C C 716 173.786 173.786 174.761 -0.975 18183 11592 1 19 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.137 -0.195 18183 11593 1 19 . 1 1 58 58 GLU CB C 716 34.163 34.163 33.925 0.237 18183 11594 1 19 . 1 1 58 58 GLU H H 716 7.873 7.873 7.799 0.074 18183 11595 1 19 . 1 1 59 59 VAL N N 717 120.798 120.798 123.114 -2.316 18183 11596 1 19 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.682 -0.309 18183 11597 1 19 . 1 1 59 59 VAL C C 717 175.325 175.325 176.342 -1.017 18183 11598 1 19 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.371 0.568 18183 11599 1 19 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.577 0.440 18183 11600 1 19 . 1 1 59 59 VAL H H 717 8.473 8.473 8.478 -0.005 18183 11601 1 19 . 1 1 60 60 LYS N N 718 127.136 127.136 127.636 -0.500 18183 11602 1 19 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.517 -0.086 18183 11603 1 19 . 1 1 60 60 LYS C C 718 174.439 174.439 175.603 -1.164 18183 11604 1 19 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.646 -1.837 18183 11605 1 19 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.655 -1.550 18183 11606 1 19 . 1 1 60 60 LYS H H 718 8.903 8.903 8.044 0.859 18183 11607 1 19 . 1 1 61 61 HIS N N 719 119.956 119.956 121.146 -1.190 18183 11608 1 19 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.930 0.293 18183 11609 1 19 . 1 1 61 61 HIS C C 719 175.173 175.173 174.695 0.478 18183 11610 1 19 . 1 1 61 61 HIS CA C 719 55.160 55.160 55.094 0.066 18183 11611 1 19 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.351 2.531 18183 11612 1 19 . 1 1 61 61 HIS H H 719 8.422 8.422 8.551 -0.129 18183 11613 1 19 . 1 1 62 62 ILE N N 720 126.629 126.629 123.666 2.963 18183 11614 1 19 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.074 0.062 18183 11615 1 19 . 1 1 62 62 ILE C C 720 175.372 175.372 175.091 0.281 18183 11616 1 19 . 1 1 62 62 ILE CA C 720 59.976 59.976 62.051 -2.075 18183 11617 1 19 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.678 2.350 18183 11618 1 19 . 1 1 62 62 ILE H H 720 9.646 9.646 8.298 1.348 18183 11619 1 19 . 1 1 63 63 LYS N N 721 127.276 127.276 126.438 0.838 18183 11620 1 19 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.521 -0.294 18183 11621 1 19 . 1 1 63 63 LYS C C 721 174.877 174.877 176.014 -1.137 18183 11622 1 19 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.846 1.694 18183 11623 1 19 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.436 -0.387 18183 11624 1 19 . 1 1 63 63 LYS H H 721 8.741 8.741 8.374 0.367 18183 11625 1 19 . 1 1 64 64 VAL N N 722 123.343 123.343 122.807 0.536 18183 11626 1 19 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.242 -0.069 18183 11627 1 19 . 1 1 64 64 VAL C C 722 174.522 174.522 174.563 -0.041 18183 11628 1 19 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.400 0.095 18183 11629 1 19 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.284 -2.892 18183 11630 1 19 . 1 1 64 64 VAL H H 722 8.166 8.166 8.130 0.036 18183 11631 1 19 . 1 1 65 65 VAL N N 723 127.934 127.934 123.964 3.970 18183 11632 1 19 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.492 -0.346 18183 11633 1 19 . 1 1 65 65 VAL C C 723 174.212 174.212 174.748 -0.536 18183 11634 1 19 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.721 1.030 18183 11635 1 19 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.670 -1.391 18183 11636 1 19 . 1 1 65 65 VAL H H 723 8.469 8.469 8.258 0.211 18183 11637 1 19 . 1 1 66 66 GLU N N 724 125.632 125.632 127.211 -1.579 18183 11638 1 19 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.390 -0.234 18183 11639 1 19 . 1 1 66 66 GLU C C 724 175.573 175.573 175.217 0.356 18183 11640 1 19 . 1 1 66 66 GLU CA C 724 54.557 54.557 54.982 -0.425 18183 11641 1 19 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.909 0.533 18183 11642 1 19 . 1 1 66 66 GLU H H 724 8.518 8.518 8.941 -0.423 18183 11643 1 19 . 1 1 67 67 LYS N N 725 125.857 125.857 123.964 1.893 18183 11644 1 19 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.556 -0.104 18183 11645 1 19 . 1 1 67 67 LYS C C 725 175.624 175.624 175.091 0.533 18183 11646 1 19 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.333 -0.079 18183 11647 1 19 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.620 -0.579 18183 11648 1 19 . 1 1 67 67 LYS H H 725 8.671 8.671 8.791 -0.120 18183 11649 1 19 . 1 1 68 68 ASP N N 726 127.302 127.302 122.441 4.861 18183 11650 1 19 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.392 -0.201 18183 11651 1 19 . 1 1 68 68 ASP C C 726 174.291 174.291 175.741 -1.450 18183 11652 1 19 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.465 0.557 18183 11653 1 19 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.787 -0.396 18183 11654 1 19 . 1 1 68 68 ASP H H 726 9.485 9.485 9.131 0.354 18183 11655 1 19 . 1 1 69 69 ASN N N 727 110.250 110.250 109.800 0.450 18183 11656 1 19 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.420 -0.197 18183 11657 1 19 . 1 1 69 69 ASN C C 727 173.825 173.825 174.116 -0.291 18183 11658 1 19 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.814 -0.142 18183 11659 1 19 . 1 1 69 69 ASN CB C 727 37.344 37.344 37.262 0.082 18183 11660 1 19 . 1 1 69 69 ASN H H 727 8.344 8.344 8.748 -0.404 18183 11661 1 19 . 1 1 70 70 TRP N N 728 119.098 119.098 116.227 2.871 18183 11662 1 19 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.916 0.400 18183 11663 1 19 . 1 1 70 70 TRP C C 728 174.989 174.989 174.891 0.098 18183 11664 1 19 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.400 0.312 18183 11665 1 19 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.333 1.010 18183 11666 1 19 . 1 1 70 70 TRP H H 728 8.050 8.050 7.862 0.188 18183 11667 1 19 . 1 1 71 71 ILE N N 729 121.706 121.706 120.698 1.008 18183 11668 1 19 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.322 0.190 18183 11669 1 19 . 1 1 71 71 ILE C C 729 175.265 175.265 173.770 1.495 18183 11670 1 19 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.560 -0.766 18183 11671 1 19 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.634 -0.543 18183 11672 1 19 . 1 1 71 71 ILE H H 729 9.298 9.298 9.222 0.076 18183 11673 1 19 . 1 1 72 72 HIS N N 730 121.063 121.063 124.192 -3.129 18183 11674 1 19 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.193 -0.042 18183 11675 1 19 . 1 1 72 72 HIS C C 730 173.774 173.774 174.254 -0.480 18183 11676 1 19 . 1 1 72 72 HIS CA C 730 56.519 56.519 54.896 1.623 18183 11677 1 19 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.276 1.233 18183 11678 1 19 . 1 1 72 72 HIS H H 730 9.024 9.024 9.437 -0.413 18183 11679 1 19 . 1 1 73 73 ILE N N 731 112.363 112.363 116.109 -3.746 18183 11680 1 19 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.374 0.522 18183 11681 1 19 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.151 0.151 18183 11682 1 19 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.949 0.438 18183 11683 1 19 . 1 1 73 73 ILE H H 731 9.425 9.425 8.866 0.559 18183 11684 1 19 . 1 1 74 74 THR N N 732 117.292 117.292 113.663 3.629 18183 11685 1 19 . 1 1 74 74 THR HA H 732 4.679 4.679 4.304 0.375 18183 11686 1 19 . 1 1 74 74 THR C C 732 173.467 173.467 173.949 -0.482 18183 11687 1 19 . 1 1 74 74 THR CA C 732 59.795 59.795 60.658 -0.863 18183 11688 1 19 . 1 1 74 74 THR CB C 732 69.896 69.896 71.373 -1.477 18183 11689 1 19 . 1 1 74 74 THR H H 732 8.421 8.421 7.673 0.748 18183 11690 1 19 . 1 1 75 75 GLU N N 733 123.689 123.689 122.573 1.116 18183 11691 1 19 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.366 -1.392 18183 11692 1 19 . 1 1 75 75 GLU C C 733 175.819 175.819 176.073 -0.254 18183 11693 1 19 . 1 1 75 75 GLU CA C 733 58.898 58.898 57.382 1.516 18183 11694 1 19 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.217 -0.226 18183 11695 1 19 . 1 1 75 75 GLU H H 733 8.615 8.615 8.669 -0.054 18183 11696 1 19 . 1 1 76 76 ALA N N 734 117.705 117.705 122.335 -4.630 18183 11697 1 19 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.389 -0.477 18183 11698 1 19 . 1 1 76 76 ALA C C 734 177.024 177.024 177.301 -0.277 18183 11699 1 19 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.651 0.611 18183 11700 1 19 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.052 -0.255 18183 11701 1 19 . 1 1 76 76 ALA H H 734 7.654 7.654 8.135 -0.481 18183 11702 1 19 . 1 1 77 77 LYS N N 735 119.239 119.239 119.932 -0.693 18183 11703 1 19 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.352 -0.261 18183 11704 1 19 . 1 1 77 77 LYS C C 735 172.048 172.048 174.553 -2.505 18183 11705 1 19 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.300 -0.927 18183 11706 1 19 . 1 1 77 77 LYS CB C 735 33.343 33.343 33.747 -0.404 18183 11707 1 19 . 1 1 77 77 LYS H H 735 7.214 7.214 8.103 -0.889 18183 11708 1 19 . 1 1 78 78 LYS N N 736 123.194 123.194 122.242 0.952 18183 11709 1 19 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.556 0.181 18183 11710 1 19 . 1 1 78 78 LYS C C 736 174.901 174.901 175.302 -0.401 18183 11711 1 19 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.449 -0.746 18183 11712 1 19 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.797 1.296 18183 11713 1 19 . 1 1 78 78 LYS H H 736 7.850 7.850 8.063 -0.213 18183 11714 1 19 . 1 1 79 79 PHE N N 737 117.645 117.645 120.168 -2.523 18183 11715 1 19 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.792 0.134 18183 11716 1 19 . 1 1 79 79 PHE C C 737 175.500 175.500 175.222 0.278 18183 11717 1 19 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.275 -0.362 18183 11718 1 19 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.791 0.677 18183 11719 1 19 . 1 1 79 79 PHE H H 737 9.079 9.079 8.590 0.489 18183 11720 1 19 . 1 1 80 80 ASP N N 738 119.264 119.264 121.647 -2.383 18183 11721 1 19 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.066 1.651 18183 11722 1 19 . 1 1 80 80 ASP C C 738 176.014 176.014 176.657 -0.643 18183 11723 1 19 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.775 -1.130 18183 11724 1 19 . 1 1 80 80 ASP CB C 738 41.720 41.720 40.841 0.879 18183 11725 1 19 . 1 1 80 80 ASP H H 738 9.332 9.332 8.530 0.802 18183 11726 1 19 . 1 1 81 81 SER N N 739 108.541 108.541 110.394 -1.853 18183 11727 1 19 . 1 1 81 81 SER HA H 739 4.649 4.649 4.570 0.079 18183 11728 1 19 . 1 1 81 81 SER C C 739 173.719 173.719 174.923 -1.204 18183 11729 1 19 . 1 1 81 81 SER CA C 739 57.148 57.148 56.107 1.041 18183 11730 1 19 . 1 1 81 81 SER CB C 739 66.475 66.475 64.810 1.665 18183 11731 1 19 . 1 1 81 81 SER H H 739 7.379 7.379 7.666 -0.287 18183 11732 1 19 . 1 1 82 82 LEU N N 740 122.926 122.926 124.186 -1.260 18183 11733 1 19 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.968 -0.212 18183 11734 1 19 . 1 1 82 82 LEU C C 740 177.267 177.267 177.959 -0.692 18183 11735 1 19 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.209 0.625 18183 11736 1 19 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.682 -1.099 18183 11737 1 19 . 1 1 82 82 LEU H H 740 8.939 8.939 8.416 0.523 18183 11738 1 19 . 1 1 83 83 LEU N N 741 116.722 116.722 118.297 -1.575 18183 11739 1 19 . 1 1 83 83 LEU HA H 741 3.775 3.775 4.075 -0.300 18183 11740 1 19 . 1 1 83 83 LEU C C 741 177.528 177.528 178.064 -0.536 18183 11741 1 19 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.676 -0.537 18183 11742 1 19 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.362 0.315 18183 11743 1 19 . 1 1 83 83 LEU H H 741 7.814 7.814 7.510 0.304 18183 11744 1 19 . 1 1 84 84 GLU N N 742 116.747 116.747 119.257 -2.510 18183 11745 1 19 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.998 -0.131 18183 11746 1 19 . 1 1 84 84 GLU C C 742 178.282 178.282 178.804 -0.522 18183 11747 1 19 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.475 -0.336 18183 11748 1 19 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.277 1.156 18183 11749 1 19 . 1 1 84 84 GLU H H 742 7.541 7.541 7.754 -0.213 18183 11750 1 19 . 1 1 85 85 LEU N N 743 122.157 122.157 121.169 0.988 18183 11751 1 19 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.500 -0.537 18183 11752 1 19 . 1 1 85 85 LEU C C 743 177.315 177.315 178.030 -0.715 18183 11753 1 19 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.715 1.024 18183 11754 1 19 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.625 0.090 18183 11755 1 19 . 1 1 85 85 LEU H H 743 7.076 7.076 7.069 0.007 18183 11756 1 19 . 1 1 86 86 VAL N N 744 119.754 119.754 118.515 1.239 18183 11757 1 19 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.336 -0.546 18183 11758 1 19 . 1 1 86 86 VAL C C 744 177.621 177.621 178.012 -0.391 18183 11759 1 19 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.999 -0.155 18183 11760 1 19 . 1 1 86 86 VAL CB C 744 30.965 30.965 31.368 -0.403 18183 11761 1 19 . 1 1 86 86 VAL H H 744 8.116 8.116 7.401 0.715 18183 11762 1 19 . 1 1 87 87 GLU N N 745 116.169 116.169 119.115 -2.946 18183 11763 1 19 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.836 -0.121 18183 11764 1 19 . 1 1 87 87 GLU C C 745 179.560 179.560 179.001 0.559 18183 11765 1 19 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.238 0.084 18183 11766 1 19 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.486 -0.400 18183 11767 1 19 . 1 1 87 87 GLU H H 745 8.168 8.168 7.919 0.249 18183 11768 1 19 . 1 1 88 88 TYR N N 746 120.022 120.022 120.790 -0.768 18183 11769 1 19 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.099 -0.006 18183 11770 1 19 . 1 1 88 88 TYR C C 746 180.010 180.010 178.206 1.804 18183 11771 1 19 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.770 0.824 18183 11772 1 19 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.551 0.277 18183 11773 1 19 . 1 1 88 88 TYR H H 746 7.774 7.774 7.665 0.109 18183 11774 1 19 . 1 1 89 89 TYR N N 747 118.480 118.480 117.574 0.906 18183 11775 1 19 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.439 0.616 18183 11776 1 19 . 1 1 89 89 TYR C C 747 175.796 175.796 178.645 -2.849 18183 11777 1 19 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.241 -0.104 18183 11778 1 19 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.843 -0.913 18183 11779 1 19 . 1 1 89 89 TYR H H 747 7.782 7.782 7.806 -0.024 18183 11780 1 19 . 1 1 90 90 GLN N N 748 118.696 118.696 118.338 0.358 18183 11781 1 19 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.743 0.646 18183 11782 1 19 . 1 1 90 90 GLN C C 748 177.777 177.777 176.206 1.571 18183 11783 1 19 . 1 1 90 90 GLN CA C 748 57.717 57.717 59.009 -1.292 18183 11784 1 19 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.907 -0.387 18183 11785 1 19 . 1 1 90 90 GLN H H 748 7.838 7.838 7.780 0.058 18183 11786 1 19 . 1 1 91 91 CYS N N 749 111.118 111.118 114.564 -3.446 18183 11787 1 19 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.462 0.140 18183 11788 1 19 . 1 1 91 91 CYS C C 749 172.887 172.887 173.244 -0.357 18183 11789 1 19 . 1 1 91 91 CYS CA C 749 57.434 57.434 57.799 -0.365 18183 11790 1 19 . 1 1 91 91 CYS CB C 749 29.266 29.266 26.870 2.396 18183 11791 1 19 . 1 1 91 91 CYS H H 749 7.145 7.145 7.297 -0.152 18183 11792 1 19 . 1 1 92 92 HIS N N 750 120.227 120.227 119.313 0.914 18183 11793 1 19 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.530 -0.198 18183 11794 1 19 . 1 1 92 92 HIS C C 750 171.842 171.842 174.104 -2.262 18183 11795 1 19 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.615 0.462 18183 11796 1 19 . 1 1 92 92 HIS CB C 750 29.376 29.376 32.384 -3.008 18183 11797 1 19 . 1 1 92 92 HIS H H 750 7.470 7.470 7.580 -0.110 18183 11798 1 19 . 1 1 93 93 SER N N 751 113.120 113.120 119.475 -6.355 18183 11799 1 19 . 1 1 93 93 SER HA H 751 3.782 3.782 4.315 -0.533 18183 11800 1 19 . 1 1 93 93 SER C C 751 176.653 176.653 174.770 1.883 18183 11801 1 19 . 1 1 93 93 SER CA C 751 57.812 57.812 60.413 -2.601 18183 11802 1 19 . 1 1 93 93 SER CB C 751 62.783 62.783 63.929 -1.146 18183 11803 1 19 . 1 1 93 93 SER H H 751 8.404 8.404 8.864 -0.460 18183 11804 1 19 . 1 1 94 94 LEU N N 752 127.293 127.293 125.396 1.897 18183 11805 1 19 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.787 -0.718 18183 11806 1 19 . 1 1 94 94 LEU C C 752 177.524 177.524 176.377 1.147 18183 11807 1 19 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.313 3.083 18183 11808 1 19 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.779 0.708 18183 11809 1 19 . 1 1 94 94 LEU H H 752 8.553 8.553 8.670 -0.117 18183 11810 1 19 . 1 1 95 95 LYS N N 753 122.249 122.249 118.110 4.139 18183 11811 1 19 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.643 -0.315 18183 11812 1 19 . 1 1 95 95 LYS C C 753 176.426 176.426 177.840 -1.414 18183 11813 1 19 . 1 1 95 95 LYS CA C 753 57.554 57.554 57.346 0.208 18183 11814 1 19 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.663 0.511 18183 11815 1 19 . 1 1 95 95 LYS H H 753 8.303 8.303 8.089 0.214 18183 11816 1 19 . 1 1 96 96 GLU N N 754 115.401 115.401 120.257 -4.856 18183 11817 1 19 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.123 -0.038 18183 11818 1 19 . 1 1 96 96 GLU C C 754 176.838 176.838 177.809 -0.971 18183 11819 1 19 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.947 -0.850 18183 11820 1 19 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.410 0.090 18183 11821 1 19 . 1 1 96 96 GLU H H 754 7.188 7.188 8.339 -1.151 18183 11822 1 19 . 1 1 97 97 SER N N 755 113.852 113.852 113.025 0.827 18183 11823 1 19 . 1 1 97 97 SER HA H 755 4.402 4.402 4.540 -0.138 18183 11824 1 19 . 1 1 97 97 SER C C 755 172.067 172.067 174.444 -2.377 18183 11825 1 19 . 1 1 97 97 SER CA C 755 59.448 59.448 59.416 0.032 18183 11826 1 19 . 1 1 97 97 SER CB C 755 65.680 65.680 64.621 1.059 18183 11827 1 19 . 1 1 97 97 SER H H 755 7.838 7.838 8.030 -0.192 18183 11828 1 19 . 1 1 98 98 PHE N N 756 121.742 121.742 122.881 -1.139 18183 11829 1 19 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.774 -0.204 18183 11830 1 19 . 1 1 98 98 PHE C C 756 174.941 174.941 176.035 -1.094 18183 11831 1 19 . 1 1 98 98 PHE CA C 756 56.748 56.748 55.736 1.012 18183 11832 1 19 . 1 1 98 98 PHE CB C 756 40.281 40.281 38.807 1.474 18183 11833 1 19 . 1 1 98 98 PHE H H 756 8.223 8.223 7.955 0.268 18183 11834 1 19 . 1 1 99 99 LYS N N 757 122.713 122.713 123.900 -1.187 18183 11835 1 19 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.111 -0.040 18183 11836 1 19 . 1 1 99 99 LYS C C 757 176.793 176.793 177.255 -0.462 18183 11837 1 19 . 1 1 99 99 LYS CA C 757 59.157 59.157 58.868 0.289 18183 11838 1 19 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.103 0.230 18183 11839 1 19 . 1 1 99 99 LYS H H 757 8.388 8.388 8.486 -0.098 18183 11840 1 19 . 1 1 100 100 GLN N N 758 114.972 114.972 116.225 -1.253 18183 11841 1 19 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.345 -0.184 18183 11842 1 19 . 1 1 100 100 GLN C C 758 175.591 175.591 176.032 -0.441 18183 11843 1 19 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.741 -0.272 18183 11844 1 19 . 1 1 100 100 GLN CB C 758 27.987 27.987 29.052 -1.065 18183 11845 1 19 . 1 1 100 100 GLN H H 758 8.662 8.662 8.271 0.391 18183 11846 1 19 . 1 1 101 101 LEU N N 759 124.472 124.472 120.162 4.310 18183 11847 1 19 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.611 -0.932 18183 11848 1 19 . 1 1 101 101 LEU C C 759 173.228 173.228 175.308 -2.080 18183 11849 1 19 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.435 -2.110 18183 11850 1 19 . 1 1 101 101 LEU CB C 759 41.512 41.512 42.229 -0.717 18183 11851 1 19 . 1 1 101 101 LEU H H 759 7.884 7.884 7.871 0.013 18183 11852 1 19 . 1 1 102 102 ASP N N 760 119.321 119.321 126.462 -7.141 18183 11853 1 19 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.836 -0.351 18183 11854 1 19 . 1 1 102 102 ASP C C 760 173.467 173.467 174.839 -1.372 18183 11855 1 19 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.033 -0.908 18183 11856 1 19 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.540 -1.512 18183 11857 1 19 . 1 1 102 102 ASP H H 760 6.594 6.594 8.353 -1.759 18183 11858 1 19 . 1 1 103 103 THR N N 761 117.213 117.213 116.921 0.292 18183 11859 1 19 . 1 1 103 103 THR HA H 761 4.643 4.643 4.259 0.384 18183 11860 1 19 . 1 1 103 103 THR C C 761 172.158 172.158 173.727 -1.569 18183 11861 1 19 . 1 1 103 103 THR CA C 761 60.197 60.197 60.419 -0.222 18183 11862 1 19 . 1 1 103 103 THR CB C 761 69.046 69.046 69.053 -0.007 18183 11863 1 19 . 1 1 103 103 THR H H 761 7.637 7.637 7.590 0.047 18183 11864 1 19 . 1 1 104 104 THR N N 762 114.193 114.193 117.713 -3.520 18183 11865 1 19 . 1 1 104 104 THR HA H 762 4.569 4.569 4.188 0.381 18183 11866 1 19 . 1 1 104 104 THR C C 762 175.698 175.698 174.888 0.810 18183 11867 1 19 . 1 1 104 104 THR CA C 762 60.808 60.808 60.719 0.089 18183 11868 1 19 . 1 1 104 104 THR CB C 762 70.636 70.636 70.379 0.257 18183 11869 1 19 . 1 1 104 104 THR H H 762 7.284 7.284 7.926 -0.642 18183 11870 1 19 . 1 1 105 105 LEU N N 763 117.473 117.473 122.686 -5.213 18183 11871 1 19 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.612 -0.149 18183 11872 1 19 . 1 1 105 105 LEU C C 763 174.348 174.348 176.739 -2.391 18183 11873 1 19 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.050 -1.068 18183 11874 1 19 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.494 -3.811 18183 11875 1 19 . 1 1 105 105 LEU H H 763 8.093 8.093 7.812 0.281 18183 11876 1 19 . 1 1 106 106 LYS N N 764 127.491 127.491 125.043 2.448 18183 11877 1 19 . 1 1 106 106 LYS HA H 764 3.958 3.958 3.990 -0.032 18183 11878 1 19 . 1 1 106 106 LYS C C 764 176.734 176.734 176.501 0.233 18183 11879 1 19 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.952 1.744 18183 11880 1 19 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.181 1.986 18183 11881 1 19 . 1 1 106 106 LYS H H 764 7.118 7.118 8.135 -1.017 18183 11882 1 19 . 1 1 107 107 TYR N N 765 115.804 115.804 115.748 0.056 18183 11883 1 19 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.993 0.471 18183 11884 1 19 . 1 1 107 107 TYR C C 765 172.048 172.048 172.979 -0.931 18183 11885 1 19 . 1 1 107 107 TYR CA C 765 52.519 52.519 54.943 -2.424 18183 11886 1 19 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.914 1.462 18183 11887 1 19 . 1 1 107 107 TYR H H 765 7.848 7.848 7.917 -0.069 18183 11888 1 19 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.427 -0.801 18183 11889 1 19 . 1 1 108 108 PRO C C 766 180.469 180.469 176.300 4.169 18183 11890 1 19 . 1 1 109 109 TYR N N 767 122.791 122.791 115.494 7.297 18183 11891 1 19 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.594 -0.810 18183 11892 1 19 . 1 1 109 109 TYR C C 767 174.575 174.575 176.099 -1.524 18183 11893 1 19 . 1 1 109 109 TYR CA C 767 60.986 60.986 57.776 3.209 18183 11894 1 19 . 1 1 109 109 TYR CB C 767 37.626 37.626 38.657 -1.031 18183 11895 1 19 . 1 1 109 109 TYR H H 767 8.306 8.306 8.480 -0.174 18183 11896 1 19 . 1 1 110 110 LYS N N 768 118.817 118.817 120.598 -1.781 18183 11897 1 19 . 1 1 110 110 LYS HA H 768 3.903 3.903 4.061 -0.158 18183 11898 1 19 . 1 1 110 110 LYS C C 768 176.259 176.259 176.089 0.170 18183 11899 1 19 . 1 1 110 110 LYS CA C 768 56.595 56.595 56.630 -0.035 18183 11900 1 19 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.879 -0.274 18183 11901 1 19 . 1 1 110 110 LYS H H 768 6.785 6.785 8.084 -1.299 18183 11902 1 19 . 1 1 111 111 SER N N 769 114.539 114.539 114.615 -0.076 18183 11903 1 19 . 1 1 111 111 SER HA H 769 4.317 4.317 4.531 -0.214 18183 11904 1 19 . 1 1 111 111 SER C C 769 174.092 174.092 172.904 1.188 18183 11905 1 19 . 1 1 111 111 SER CA C 769 58.647 58.647 57.877 0.770 18183 11906 1 19 . 1 1 111 111 SER CB C 769 63.883 63.883 64.093 -0.209 18183 11907 1 19 . 1 1 111 111 SER H H 769 7.765 7.765 8.041 -0.276 18183 11908 1 19 . 1 1 112 112 ARG N N 770 122.458 122.458 124.211 -1.753 18183 11909 1 19 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.489 -0.167 18183 11910 1 19 . 1 1 112 112 ARG C C 770 175.130 175.130 175.588 -0.458 18183 11911 1 19 . 1 1 112 112 ARG CA C 770 55.664 55.664 55.223 0.441 18183 11912 1 19 . 1 1 112 112 ARG CB C 770 30.880 30.880 30.637 0.243 18183 11913 1 19 . 1 1 112 112 ARG H H 770 8.082 8.082 8.441 -0.359 18183 11914 1 20 . 1 1 2 2 ARG N N 660 123.546 123.546 122.539 1.007 18183 11915 1 20 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.176 0.400 18183 11916 1 20 . 1 1 2 2 ARG CA C 660 53.850 53.850 55.787 -1.937 18183 11917 1 20 . 1 1 2 2 ARG CB C 660 30.347 30.347 29.904 0.443 18183 11918 1 20 . 1 1 2 2 ARG H H 660 8.258 8.258 8.618 -0.360 18183 11919 1 20 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.405 -0.049 18183 11920 1 20 . 1 1 4 4 PRO C C 662 177.047 177.047 176.000 1.047 18183 11921 1 20 . 1 1 4 4 PRO CA C 662 63.221 63.221 63.567 -0.346 18183 11922 1 20 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.006 -0.031 18183 11923 1 20 . 1 1 5 5 SER N N 663 116.108 116.108 117.673 -1.565 18183 11924 1 20 . 1 1 5 5 SER HA H 663 4.335 4.335 4.578 -0.243 18183 11925 1 20 . 1 1 5 5 SER C C 663 174.708 174.708 174.581 0.127 18183 11926 1 20 . 1 1 5 5 SER CA C 663 58.639 58.639 57.443 1.196 18183 11927 1 20 . 1 1 5 5 SER CB C 663 63.849 63.849 64.787 -0.938 18183 11928 1 20 . 1 1 5 5 SER H H 663 8.385 8.385 7.967 0.418 18183 11929 1 20 . 1 1 6 6 ARG N N 664 122.132 122.132 121.450 0.682 18183 11930 1 20 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.327 -0.008 18183 11931 1 20 . 1 1 6 6 ARG C C 664 175.951 175.951 175.584 0.367 18183 11932 1 20 . 1 1 6 6 ARG CA C 664 55.931 55.931 57.024 -1.093 18183 11933 1 20 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.777 0.055 18183 11934 1 20 . 1 1 6 6 ARG H H 664 8.347 8.347 8.310 0.037 18183 11935 1 20 . 1 1 7 7 GLU N N 665 122.268 122.268 120.561 1.707 18183 11936 1 20 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.361 -0.099 18183 11937 1 20 . 1 1 7 7 GLU C C 665 175.809 175.809 176.611 -0.802 18183 11938 1 20 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.649 0.521 18183 11939 1 20 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.906 -0.998 18183 11940 1 20 . 1 1 7 7 GLU H H 665 8.336 8.336 8.426 -0.090 18183 11941 1 20 . 1 1 8 8 ILE N N 666 123.984 123.984 119.311 4.673 18183 11942 1 20 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.223 -0.443 18183 11943 1 20 . 1 1 8 8 ILE C C 666 174.325 174.325 174.899 -0.574 18183 11944 1 20 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.821 -0.012 18183 11945 1 20 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.866 0.367 18183 11946 1 20 . 1 1 8 8 ILE H H 666 7.920 7.920 8.086 -0.166 18183 11947 1 20 . 1 1 9 9 ASP N N 667 124.228 124.228 124.076 0.152 18183 11948 1 20 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.696 -0.128 18183 11949 1 20 . 1 1 9 9 ASP C C 667 177.001 177.001 176.224 0.777 18183 11950 1 20 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.280 -1.289 18183 11951 1 20 . 1 1 9 9 ASP CB C 667 40.310 40.310 40.943 -0.633 18183 11952 1 20 . 1 1 9 9 ASP H H 667 8.072 8.072 8.414 -0.342 18183 11953 1 20 . 1 1 10 10 TYR N N 668 125.329 125.329 120.537 4.792 18183 11954 1 20 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.167 -0.039 18183 11955 1 20 . 1 1 10 10 TYR C C 668 175.901 175.901 176.233 -0.332 18183 11956 1 20 . 1 1 10 10 TYR CA C 668 60.557 60.557 60.221 0.336 18183 11957 1 20 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.734 -1.568 18183 11958 1 20 . 1 1 10 10 TYR H H 668 8.493 8.493 8.042 0.451 18183 11959 1 20 . 1 1 11 11 THR N N 669 108.533 108.533 111.018 -2.485 18183 11960 1 20 . 1 1 11 11 THR HA H 669 4.082 4.082 3.144 0.938 18183 11961 1 20 . 1 1 11 11 THR C C 669 175.170 175.170 175.046 0.124 18183 11962 1 20 . 1 1 11 11 THR CA C 669 64.701 64.701 64.243 0.458 18183 11963 1 20 . 1 1 11 11 THR CB C 669 68.924 68.924 67.955 0.969 18183 11964 1 20 . 1 1 11 11 THR H H 669 7.948 7.948 7.623 0.325 18183 11965 1 20 . 1 1 12 12 ALA N N 670 121.252 121.252 121.963 -0.711 18183 11966 1 20 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.085 -0.062 18183 11967 1 20 . 1 1 12 12 ALA C C 670 177.747 177.747 177.624 0.123 18183 11968 1 20 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.049 -0.550 18183 11969 1 20 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.817 0.410 18183 11970 1 20 . 1 1 12 12 ALA H H 670 7.366 7.366 7.601 -0.235 18183 11971 1 20 . 1 1 13 13 TYR N N 671 117.895 117.895 117.942 -0.047 18183 11972 1 20 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.247 0.005 18183 11973 1 20 . 1 1 13 13 TYR C C 671 176.545 176.545 174.991 1.554 18183 11974 1 20 . 1 1 13 13 TYR CA C 671 56.472 56.472 56.229 0.243 18183 11975 1 20 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.322 -0.763 18183 11976 1 20 . 1 1 13 13 TYR H H 671 7.490 7.490 7.365 0.125 18183 11977 1 20 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.199 0.101 18183 11978 1 20 . 1 1 14 14 PRO C C 672 173.638 173.638 176.720 -3.082 18183 11979 1 20 . 1 1 14 14 PRO CA C 672 63.751 63.751 64.879 -1.128 18183 11980 1 20 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.953 -0.709 18183 11981 1 20 . 1 1 15 15 TRP N N 673 109.940 109.940 116.057 -6.117 18183 11982 1 20 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.578 0.128 18183 11983 1 20 . 1 1 15 15 TRP C C 673 175.471 175.471 177.296 -1.825 18183 11984 1 20 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.912 -3.062 18183 11985 1 20 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.535 3.901 18183 11986 1 20 . 1 1 15 15 TRP H H 673 6.184 6.184 7.463 -1.279 18183 11987 1 20 . 1 1 16 16 PHE N N 674 123.228 123.228 119.460 3.768 18183 11988 1 20 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.826 0.275 18183 11989 1 20 . 1 1 16 16 PHE C C 674 174.684 174.684 175.508 -0.824 18183 11990 1 20 . 1 1 16 16 PHE CA C 674 59.566 59.566 59.033 0.533 18183 11991 1 20 . 1 1 16 16 PHE CB C 674 39.968 39.968 40.220 -0.252 18183 11992 1 20 . 1 1 16 16 PHE H H 674 7.585 7.585 8.013 -0.428 18183 11993 1 20 . 1 1 17 17 ALA N N 675 130.573 130.573 125.671 4.902 18183 11994 1 20 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.573 0.269 18183 11995 1 20 . 1 1 17 17 ALA C C 675 177.161 177.161 177.088 0.073 18183 11996 1 20 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.847 -0.680 18183 11997 1 20 . 1 1 17 17 ALA CB C 675 21.968 21.968 20.768 1.200 18183 11998 1 20 . 1 1 17 17 ALA H H 675 9.004 9.004 7.943 1.061 18183 11999 1 20 . 1 1 18 18 GLY C C 676 174.000 174.000 172.823 1.177 18183 12000 1 20 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.685 1.805 18183 12001 1 20 . 1 1 19 19 ASN N N 677 124.182 124.182 120.456 3.726 18183 12002 1 20 . 1 1 19 19 ASN HA H 677 5.006 5.006 5.360 -0.354 18183 12003 1 20 . 1 1 19 19 ASN C C 677 174.916 174.916 175.146 -0.230 18183 12004 1 20 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.695 -0.090 18183 12005 1 20 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.992 -0.928 18183 12006 1 20 . 1 1 19 19 ASN H H 677 8.657 8.657 8.594 0.063 18183 12007 1 20 . 1 1 20 20 MET N N 678 122.806 122.806 122.011 0.795 18183 12008 1 20 . 1 1 20 20 MET HA H 678 4.173 4.173 4.678 -0.505 18183 12009 1 20 . 1 1 20 20 MET C C 678 175.317 175.317 174.678 0.639 18183 12010 1 20 . 1 1 20 20 MET CA C 678 56.274 56.274 54.677 1.597 18183 12011 1 20 . 1 1 20 20 MET CB C 678 35.581 35.581 35.075 0.506 18183 12012 1 20 . 1 1 20 20 MET H H 678 7.158 7.158 7.867 -0.709 18183 12013 1 20 . 1 1 21 21 GLU N N 679 124.655 124.655 119.074 5.581 18183 12014 1 20 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.609 -0.408 18183 12015 1 20 . 1 1 21 21 GLU C C 679 178.105 178.105 177.462 0.643 18183 12016 1 20 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.243 0.773 18183 12017 1 20 . 1 1 21 21 GLU CB C 679 30.890 30.890 31.414 -0.524 18183 12018 1 20 . 1 1 21 21 GLU H H 679 8.687 8.687 8.464 0.223 18183 12019 1 20 . 1 1 22 22 ARG N N 680 125.764 125.764 121.316 4.448 18183 12020 1 20 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.974 -0.694 18183 12021 1 20 . 1 1 22 22 ARG C C 680 177.559 177.559 178.461 -0.902 18183 12022 1 20 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.191 0.863 18183 12023 1 20 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.131 -0.263 18183 12024 1 20 . 1 1 22 22 ARG H H 680 9.191 9.191 8.724 0.467 18183 12025 1 20 . 1 1 23 23 GLN N N 681 118.109 118.109 118.693 -0.584 18183 12026 1 20 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.125 -0.132 18183 12027 1 20 . 1 1 23 23 GLN C C 681 178.252 178.252 178.328 -0.076 18183 12028 1 20 . 1 1 23 23 GLN CA C 681 59.599 59.599 58.856 0.743 18183 12029 1 20 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.829 -0.064 18183 12030 1 20 . 1 1 23 23 GLN H H 681 9.085 9.085 8.548 0.537 18183 12031 1 20 . 1 1 24 24 GLN N N 682 118.128 118.128 117.805 0.323 18183 12032 1 20 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.073 -0.022 18183 12033 1 20 . 1 1 24 24 GLN C C 682 178.328 178.328 178.660 -0.332 18183 12034 1 20 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.126 -0.361 18183 12035 1 20 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.446 -0.214 18183 12036 1 20 . 1 1 24 24 GLN H H 682 7.287 7.287 8.588 -1.301 18183 12037 1 20 . 1 1 25 25 THR N N 683 116.436 116.436 116.487 -0.051 18183 12038 1 20 . 1 1 25 25 THR HA H 683 3.641 3.641 3.890 -0.249 18183 12039 1 20 . 1 1 25 25 THR CA C 683 67.504 67.504 67.669 -0.165 18183 12040 1 20 . 1 1 25 25 THR CB C 683 67.667 67.667 68.536 -0.869 18183 12041 1 20 . 1 1 25 25 THR H H 683 7.813 7.813 8.126 -0.313 18183 12042 1 20 . 1 1 26 26 ASP N N 684 123.084 123.084 121.004 2.080 18183 12043 1 20 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.401 -0.173 18183 12044 1 20 . 1 1 26 26 ASP C C 684 178.426 178.426 177.369 1.057 18183 12045 1 20 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.497 0.523 18183 12046 1 20 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.034 -1.208 18183 12047 1 20 . 1 1 26 26 ASP H H 684 8.384 8.384 7.846 0.538 18183 12048 1 20 . 1 1 27 27 ASN N N 685 116.068 116.068 117.000 -0.932 18183 12049 1 20 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.631 -0.312 18183 12050 1 20 . 1 1 27 27 ASN C C 685 177.207 177.207 177.917 -0.710 18183 12051 1 20 . 1 1 27 27 ASN CA C 685 55.747 55.747 54.855 0.892 18183 12052 1 20 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.622 -0.425 18183 12053 1 20 . 1 1 27 27 ASN H H 685 7.667 7.667 7.921 -0.254 18183 12054 1 20 . 1 1 28 28 LEU N N 686 120.906 120.906 120.783 0.123 18183 12055 1 20 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.291 -0.122 18183 12056 1 20 . 1 1 28 28 LEU C C 686 179.394 179.394 177.717 1.677 18183 12057 1 20 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.914 -0.093 18183 12058 1 20 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.242 0.451 18183 12059 1 20 . 1 1 28 28 LEU H H 686 7.993 7.993 7.793 0.200 18183 12060 1 20 . 1 1 29 29 LEU N N 687 114.941 114.941 113.506 1.435 18183 12061 1 20 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.818 -0.767 18183 12062 1 20 . 1 1 29 29 LEU C C 687 178.742 178.742 177.959 0.783 18183 12063 1 20 . 1 1 29 29 LEU CA C 687 56.437 56.437 53.780 2.657 18183 12064 1 20 . 1 1 29 29 LEU CB C 687 42.842 42.842 40.215 2.627 18183 12065 1 20 . 1 1 29 29 LEU H H 687 8.166 8.166 7.602 0.564 18183 12066 1 20 . 1 1 30 30 LYS N N 688 118.446 118.446 119.222 -0.776 18183 12067 1 20 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.138 -0.425 18183 12068 1 20 . 1 1 30 30 LYS C C 688 177.260 177.260 177.076 0.184 18183 12069 1 20 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.458 2.021 18183 12070 1 20 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.412 -0.328 18183 12071 1 20 . 1 1 30 30 LYS H H 688 7.635 7.635 7.409 0.226 18183 12072 1 20 . 1 1 31 31 SER N N 689 111.039 111.039 112.876 -1.837 18183 12073 1 20 . 1 1 31 31 SER HA H 689 4.417 4.417 4.695 -0.278 18183 12074 1 20 . 1 1 31 31 SER C C 689 174.495 174.495 173.650 0.845 18183 12075 1 20 . 1 1 31 31 SER CA C 689 58.387 58.387 56.849 1.538 18183 12076 1 20 . 1 1 31 31 SER CB C 689 63.281 63.281 63.719 -0.438 18183 12077 1 20 . 1 1 31 31 SER H H 689 7.709 7.709 8.230 -0.521 18183 12078 1 20 . 1 1 32 32 HIS N N 690 120.253 120.253 121.509 -1.256 18183 12079 1 20 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.662 -0.086 18183 12080 1 20 . 1 1 32 32 HIS C C 690 173.913 173.913 174.376 -0.463 18183 12081 1 20 . 1 1 32 32 HIS CA C 690 56.076 56.076 57.045 -0.970 18183 12082 1 20 . 1 1 32 32 HIS CB C 690 31.853 31.853 31.948 -0.095 18183 12083 1 20 . 1 1 32 32 HIS H H 690 7.647 7.647 7.412 0.235 18183 12084 1 20 . 1 1 33 33 ALA N N 691 120.403 120.403 122.291 -1.888 18183 12085 1 20 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.349 -0.071 18183 12086 1 20 . 1 1 33 33 ALA C C 691 179.503 179.503 177.138 2.365 18183 12087 1 20 . 1 1 33 33 ALA CA C 691 51.718 51.718 52.168 -0.450 18183 12088 1 20 . 1 1 33 33 ALA CB C 691 20.269 20.269 19.908 0.361 18183 12089 1 20 . 1 1 33 33 ALA H H 691 8.452 8.452 8.578 -0.126 18183 12090 1 20 . 1 1 34 34 SER N N 692 117.464 117.464 115.997 1.467 18183 12091 1 20 . 1 1 34 34 SER HA H 692 4.047 4.047 4.354 -0.307 18183 12092 1 20 . 1 1 34 34 SER C C 692 175.307 175.307 174.985 0.322 18183 12093 1 20 . 1 1 34 34 SER CA C 692 60.434 60.434 59.353 1.081 18183 12094 1 20 . 1 1 34 34 SER CB C 692 63.132 63.132 62.112 1.020 18183 12095 1 20 . 1 1 34 34 SER H H 692 9.002 9.002 8.463 0.539 18183 12096 1 20 . 1 1 35 35 GLY N N 693 113.364 113.364 113.398 -0.034 18183 12097 1 20 . 1 1 35 35 GLY C C 693 174.739 174.739 172.715 2.024 18183 12098 1 20 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.121 -0.271 18183 12099 1 20 . 1 1 35 35 GLY H H 693 9.873 9.873 8.421 1.452 18183 12100 1 20 . 1 1 36 36 THR N N 694 120.932 120.932 118.773 2.159 18183 12101 1 20 . 1 1 36 36 THR HA H 694 5.923 5.923 5.759 0.164 18183 12102 1 20 . 1 1 36 36 THR C C 694 173.253 173.253 173.570 -0.317 18183 12103 1 20 . 1 1 36 36 THR CA C 694 63.429 63.429 61.444 1.985 18183 12104 1 20 . 1 1 36 36 THR CB C 694 68.091 68.091 70.272 -2.180 18183 12105 1 20 . 1 1 36 36 THR H H 694 8.240 8.240 7.517 0.723 18183 12106 1 20 . 1 1 37 37 TYR N N 695 123.567 123.567 124.412 -0.845 18183 12107 1 20 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.492 0.484 18183 12108 1 20 . 1 1 37 37 TYR C C 695 171.737 171.737 173.049 -1.312 18183 12109 1 20 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.828 0.407 18183 12110 1 20 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.656 2.634 18183 12111 1 20 . 1 1 37 37 TYR H H 695 8.765 8.765 8.975 -0.210 18183 12112 1 20 . 1 1 38 38 LEU N N 696 115.294 115.294 115.813 -0.519 18183 12113 1 20 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.133 -0.030 18183 12114 1 20 . 1 1 38 38 LEU C C 696 174.368 174.368 174.674 -0.306 18183 12115 1 20 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.325 -0.493 18183 12116 1 20 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.281 0.013 18183 12117 1 20 . 1 1 38 38 LEU H H 696 9.008 9.008 8.154 0.854 18183 12118 1 20 . 1 1 39 39 ILE N N 697 122.087 122.087 120.293 1.794 18183 12119 1 20 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.895 0.398 18183 12120 1 20 . 1 1 39 39 ILE C C 697 173.625 173.625 175.022 -1.397 18183 12121 1 20 . 1 1 39 39 ILE CA C 697 59.806 59.806 60.233 -0.428 18183 12122 1 20 . 1 1 39 39 ILE CB C 697 38.766 38.766 39.612 -0.846 18183 12123 1 20 . 1 1 39 39 ILE H H 697 9.276 9.276 8.430 0.846 18183 12124 1 20 . 1 1 40 40 ARG N N 698 123.307 123.307 126.978 -3.671 18183 12125 1 20 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.317 0.827 18183 12126 1 20 . 1 1 40 40 ARG C C 698 173.789 173.789 174.380 -0.591 18183 12127 1 20 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.903 -1.732 18183 12128 1 20 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.073 0.353 18183 12129 1 20 . 1 1 40 40 ARG H H 698 9.032 9.032 8.279 0.753 18183 12130 1 20 . 1 1 41 41 GLU N N 699 122.502 122.502 119.997 2.505 18183 12131 1 20 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.765 0.226 18183 12132 1 20 . 1 1 41 41 GLU C C 699 175.788 175.788 174.818 0.970 18183 12133 1 20 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.093 -0.254 18183 12134 1 20 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.749 -0.826 18183 12135 1 20 . 1 1 41 41 GLU H H 699 8.453 8.453 8.365 0.088 18183 12136 1 20 . 1 1 42 42 ARG N N 700 125.039 125.039 127.062 -2.023 18183 12137 1 20 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.589 0.065 18183 12138 1 20 . 1 1 42 42 ARG H H 700 8.844 8.844 8.516 0.328 18183 12139 1 20 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.503 -0.288 18183 12140 1 20 . 1 1 43 43 PRO C C 701 176.485 176.485 175.801 0.684 18183 12141 1 20 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.067 0.963 18183 12142 1 20 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.480 -0.030 18183 12143 1 20 . 1 1 44 44 ALA N N 702 120.718 120.718 122.451 -1.733 18183 12144 1 20 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.261 -0.018 18183 12145 1 20 . 1 1 44 44 ALA C C 702 176.924 176.924 174.985 1.939 18183 12146 1 20 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.755 0.313 18183 12147 1 20 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.489 -1.062 18183 12148 1 20 . 1 1 44 44 ALA H H 702 8.217 8.217 7.102 1.115 18183 12149 1 20 . 1 1 45 45 GLU N N 703 118.107 118.107 117.570 0.537 18183 12150 1 20 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.112 0.193 18183 12151 1 20 . 1 1 45 45 GLU C C 703 176.308 176.308 176.104 0.204 18183 12152 1 20 . 1 1 45 45 GLU H H 703 7.638 7.638 8.254 -0.616 18183 12153 1 20 . 1 1 46 46 ALA N N 704 122.161 122.161 126.000 -3.839 18183 12154 1 20 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.058 0.077 18183 12155 1 20 . 1 1 46 46 ALA C C 704 178.439 178.439 177.541 0.898 18183 12156 1 20 . 1 1 46 46 ALA H H 704 8.596 8.596 8.396 0.200 18183 12157 1 20 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.060 0.586 18183 12158 1 20 . 1 1 47 47 GLU C C 705 175.340 175.340 177.001 -1.661 18183 12159 1 20 . 1 1 47 47 GLU H H 705 7.642 7.642 8.082 -0.440 18183 12160 1 20 . 1 1 48 48 ARG N N 706 122.871 122.871 125.799 -2.928 18183 12161 1 20 . 1 1 48 48 ARG HA H 706 4.640 4.640 3.952 0.688 18183 12162 1 20 . 1 1 48 48 ARG C C 706 175.645 175.645 176.238 -0.593 18183 12163 1 20 . 1 1 48 48 ARG H H 706 8.163 8.163 8.188 -0.025 18183 12164 1 20 . 1 1 49 49 PHE N N 707 113.719 113.719 112.685 1.034 18183 12165 1 20 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.590 1.194 18183 12166 1 20 . 1 1 49 49 PHE C C 707 174.536 174.536 173.335 1.201 18183 12167 1 20 . 1 1 49 49 PHE H H 707 8.370 8.370 7.564 0.806 18183 12168 1 20 . 1 1 50 50 ALA N N 708 119.650 119.650 120.634 -0.984 18183 12169 1 20 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.010 0.110 18183 12170 1 20 . 1 1 50 50 ALA C C 708 175.964 175.964 174.972 0.992 18183 12171 1 20 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.765 0.248 18183 12172 1 20 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.736 -0.856 18183 12173 1 20 . 1 1 50 50 ALA H H 708 8.868 8.868 8.411 0.457 18183 12174 1 20 . 1 1 51 51 ILE N N 709 121.077 121.077 121.273 -0.196 18183 12175 1 20 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.833 -0.186 18183 12176 1 20 . 1 1 51 51 ILE C C 709 175.049 175.049 175.357 -0.308 18183 12177 1 20 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.230 0.269 18183 12178 1 20 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.147 -0.151 18183 12179 1 20 . 1 1 51 51 ILE H H 709 9.130 9.130 8.088 1.042 18183 12180 1 20 . 1 1 52 52 SER N N 710 125.122 125.122 123.736 1.386 18183 12181 1 20 . 1 1 52 52 SER HA H 710 5.454 5.454 5.090 0.364 18183 12182 1 20 . 1 1 52 52 SER C C 710 172.024 172.024 173.210 -1.186 18183 12183 1 20 . 1 1 52 52 SER CA C 710 57.614 57.614 57.607 0.007 18183 12184 1 20 . 1 1 52 52 SER CB C 710 64.989 64.989 64.032 0.956 18183 12185 1 20 . 1 1 52 52 SER H H 710 9.204 9.204 8.375 0.829 18183 12186 1 20 . 1 1 53 53 ILE N N 711 121.512 121.512 125.175 -3.663 18183 12187 1 20 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.939 0.200 18183 12188 1 20 . 1 1 53 53 ILE C C 711 173.093 173.093 173.692 -0.599 18183 12189 1 20 . 1 1 53 53 ILE CA C 711 57.633 57.633 58.756 -1.123 18183 12190 1 20 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.272 0.552 18183 12191 1 20 . 1 1 53 53 ILE H H 711 8.825 8.825 7.924 0.901 18183 12192 1 20 . 1 1 54 54 LYS N N 712 128.814 128.814 123.893 4.921 18183 12193 1 20 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.162 -0.407 18183 12194 1 20 . 1 1 54 54 LYS C C 712 174.850 174.850 175.124 -0.274 18183 12195 1 20 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.369 -0.124 18183 12196 1 20 . 1 1 54 54 LYS CB C 712 33.334 33.334 34.870 -1.536 18183 12197 1 20 . 1 1 54 54 LYS H H 712 8.863 8.863 8.482 0.381 18183 12198 1 20 . 1 1 55 55 PHE N N 713 130.119 130.119 125.823 4.296 18183 12199 1 20 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.663 0.205 18183 12200 1 20 . 1 1 55 55 PHE C C 713 174.223 174.223 174.179 0.044 18183 12201 1 20 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.830 0.319 18183 12202 1 20 . 1 1 55 55 PHE CB C 713 41.602 41.602 42.974 -1.372 18183 12203 1 20 . 1 1 55 55 PHE H H 713 9.373 9.373 8.651 0.722 18183 12204 1 20 . 1 1 56 56 ASN N N 714 125.766 125.766 125.538 0.228 18183 12205 1 20 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.175 -0.277 18183 12206 1 20 . 1 1 56 56 ASN C C 714 173.945 173.945 174.097 -0.152 18183 12207 1 20 . 1 1 56 56 ASN CA C 714 55.006 55.006 53.849 1.157 18183 12208 1 20 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.725 -1.763 18183 12209 1 20 . 1 1 56 56 ASN H H 714 8.364 8.364 8.624 -0.260 18183 12210 1 20 . 1 1 57 57 ASP N N 715 117.708 117.708 113.869 3.839 18183 12211 1 20 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.242 0.309 18183 12212 1 20 . 1 1 57 57 ASP C C 715 174.766 174.766 174.512 0.254 18183 12213 1 20 . 1 1 57 57 ASP CA C 715 55.045 55.045 56.048 -1.003 18183 12214 1 20 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.471 0.106 18183 12215 1 20 . 1 1 57 57 ASP H H 715 8.536 8.536 8.503 0.033 18183 12216 1 20 . 1 1 58 58 GLU N N 716 118.715 118.715 117.105 1.610 18183 12217 1 20 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.675 -0.010 18183 12218 1 20 . 1 1 58 58 GLU C C 716 173.786 173.786 175.108 -1.322 18183 12219 1 20 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.041 -0.099 18183 12220 1 20 . 1 1 58 58 GLU CB C 716 34.163 34.163 33.788 0.375 18183 12221 1 20 . 1 1 58 58 GLU H H 716 7.873 7.873 7.690 0.183 18183 12222 1 20 . 1 1 59 59 VAL N N 717 120.798 120.798 125.779 -4.981 18183 12223 1 20 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.262 0.111 18183 12224 1 20 . 1 1 59 59 VAL C C 717 175.325 175.325 175.257 0.068 18183 12225 1 20 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.833 0.106 18183 12226 1 20 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.655 0.362 18183 12227 1 20 . 1 1 59 59 VAL H H 717 8.473 8.473 8.606 -0.133 18183 12228 1 20 . 1 1 60 60 LYS N N 718 127.136 127.136 126.677 0.459 18183 12229 1 20 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.166 0.265 18183 12230 1 20 . 1 1 60 60 LYS C C 718 174.439 174.439 174.817 -0.378 18183 12231 1 20 . 1 1 60 60 LYS CA C 718 52.809 52.809 55.726 -2.917 18183 12232 1 20 . 1 1 60 60 LYS CB C 718 33.105 33.105 33.528 -0.423 18183 12233 1 20 . 1 1 60 60 LYS H H 718 8.903 8.903 8.046 0.857 18183 12234 1 20 . 1 1 61 61 HIS N N 719 119.956 119.956 119.632 0.324 18183 12235 1 20 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.688 0.535 18183 12236 1 20 . 1 1 61 61 HIS C C 719 175.173 175.173 174.599 0.574 18183 12237 1 20 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.934 0.226 18183 12238 1 20 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.006 2.876 18183 12239 1 20 . 1 1 61 61 HIS H H 719 8.422 8.422 8.452 -0.030 18183 12240 1 20 . 1 1 62 62 ILE N N 720 126.629 126.629 123.977 2.652 18183 12241 1 20 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.139 -0.003 18183 12242 1 20 . 1 1 62 62 ILE C C 720 175.372 175.372 175.607 -0.235 18183 12243 1 20 . 1 1 62 62 ILE CA C 720 59.976 59.976 60.513 -0.537 18183 12244 1 20 . 1 1 62 62 ILE CB C 720 41.028 41.028 38.234 2.794 18183 12245 1 20 . 1 1 62 62 ILE H H 720 9.646 9.646 8.618 1.028 18183 12246 1 20 . 1 1 63 63 LYS N N 721 127.276 127.276 126.540 0.736 18183 12247 1 20 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.828 -0.601 18183 12248 1 20 . 1 1 63 63 LYS C C 721 174.877 174.877 175.502 -0.625 18183 12249 1 20 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.857 1.683 18183 12250 1 20 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.967 -0.918 18183 12251 1 20 . 1 1 63 63 LYS H H 721 8.741 8.741 8.668 0.073 18183 12252 1 20 . 1 1 64 64 VAL N N 722 123.343 123.343 126.946 -3.603 18183 12253 1 20 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.501 -0.328 18183 12254 1 20 . 1 1 64 64 VAL C C 722 174.522 174.522 174.566 -0.044 18183 12255 1 20 . 1 1 64 64 VAL CA C 722 61.495 61.495 60.418 1.077 18183 12256 1 20 . 1 1 64 64 VAL CB C 722 30.392 30.392 31.617 -1.225 18183 12257 1 20 . 1 1 64 64 VAL H H 722 8.166 8.166 8.458 -0.292 18183 12258 1 20 . 1 1 65 65 VAL N N 723 127.934 127.934 127.308 0.626 18183 12259 1 20 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.341 -0.195 18183 12260 1 20 . 1 1 65 65 VAL C C 723 174.212 174.212 174.891 -0.679 18183 12261 1 20 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.409 1.342 18183 12262 1 20 . 1 1 65 65 VAL CB C 723 33.279 33.279 34.541 -1.262 18183 12263 1 20 . 1 1 65 65 VAL H H 723 8.469 8.469 7.791 0.678 18183 12264 1 20 . 1 1 66 66 GLU N N 724 125.632 125.632 125.996 -0.364 18183 12265 1 20 . 1 1 66 66 GLU HA H 724 5.156 5.156 4.989 0.167 18183 12266 1 20 . 1 1 66 66 GLU C C 724 175.573 175.573 175.714 -0.141 18183 12267 1 20 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.535 -0.978 18183 12268 1 20 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.159 1.282 18183 12269 1 20 . 1 1 66 66 GLU H H 724 8.518 8.518 8.626 -0.108 18183 12270 1 20 . 1 1 67 67 LYS N N 725 125.857 125.857 125.169 0.688 18183 12271 1 20 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.600 -0.148 18183 12272 1 20 . 1 1 67 67 LYS C C 725 175.624 175.624 175.787 -0.163 18183 12273 1 20 . 1 1 67 67 LYS CA C 725 56.254 56.254 55.408 0.846 18183 12274 1 20 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.356 -0.315 18183 12275 1 20 . 1 1 67 67 LYS H H 725 8.671 8.671 9.118 -0.447 18183 12276 1 20 . 1 1 68 68 ASP N N 726 127.302 127.302 122.460 4.842 18183 12277 1 20 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.424 -0.233 18183 12278 1 20 . 1 1 68 68 ASP C C 726 174.291 174.291 175.790 -1.499 18183 12279 1 20 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.770 0.252 18183 12280 1 20 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.694 -0.304 18183 12281 1 20 . 1 1 68 68 ASP H H 726 9.485 9.485 8.836 0.649 18183 12282 1 20 . 1 1 69 69 ASN N N 727 110.250 110.250 113.422 -3.172 18183 12283 1 20 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.299 -0.076 18183 12284 1 20 . 1 1 69 69 ASN C C 727 173.825 173.825 173.439 0.386 18183 12285 1 20 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.465 0.207 18183 12286 1 20 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.073 -0.729 18183 12287 1 20 . 1 1 69 69 ASN H H 727 8.344 8.344 8.662 -0.318 18183 12288 1 20 . 1 1 70 70 TRP N N 728 119.098 119.098 115.475 3.623 18183 12289 1 20 . 1 1 70 70 TRP HA H 728 5.316 5.316 4.880 0.436 18183 12290 1 20 . 1 1 70 70 TRP C C 728 174.989 174.989 174.434 0.555 18183 12291 1 20 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.553 0.159 18183 12292 1 20 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.587 0.755 18183 12293 1 20 . 1 1 70 70 TRP H H 728 8.050 8.050 7.714 0.336 18183 12294 1 20 . 1 1 71 71 ILE N N 729 121.706 121.706 121.485 0.221 18183 12295 1 20 . 1 1 71 71 ILE HA H 729 5.512 5.512 4.836 0.676 18183 12296 1 20 . 1 1 71 71 ILE C C 729 175.265 175.265 173.798 1.467 18183 12297 1 20 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.384 -0.590 18183 12298 1 20 . 1 1 71 71 ILE CB C 729 41.091 41.091 40.834 0.257 18183 12299 1 20 . 1 1 71 71 ILE H H 729 9.298 9.298 8.855 0.443 18183 12300 1 20 . 1 1 72 72 HIS N N 730 121.063 121.063 123.830 -2.767 18183 12301 1 20 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.164 -0.013 18183 12302 1 20 . 1 1 72 72 HIS C C 730 173.774 173.774 174.338 -0.564 18183 12303 1 20 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.414 1.105 18183 12304 1 20 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.948 0.561 18183 12305 1 20 . 1 1 72 72 HIS H H 730 9.024 9.024 8.328 0.696 18183 12306 1 20 . 1 1 73 73 ILE N N 731 112.363 112.363 116.351 -3.988 18183 12307 1 20 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.686 0.210 18183 12308 1 20 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.356 -0.054 18183 12309 1 20 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.987 0.400 18183 12310 1 20 . 1 1 73 73 ILE H H 731 9.425 9.425 9.016 0.409 18183 12311 1 20 . 1 1 74 74 THR N N 732 117.292 117.292 113.172 4.120 18183 12312 1 20 . 1 1 74 74 THR HA H 732 4.679 4.679 4.510 0.169 18183 12313 1 20 . 1 1 74 74 THR C C 732 173.467 173.467 173.705 -0.238 18183 12314 1 20 . 1 1 74 74 THR CA C 732 59.795 59.795 60.638 -0.843 18183 12315 1 20 . 1 1 74 74 THR CB C 732 69.896 69.896 70.685 -0.789 18183 12316 1 20 . 1 1 74 74 THR H H 732 8.421 8.421 7.754 0.667 18183 12317 1 20 . 1 1 75 75 GLU N N 733 123.689 123.689 120.687 3.002 18183 12318 1 20 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.203 -1.229 18183 12319 1 20 . 1 1 75 75 GLU C C 733 175.819 175.819 175.502 0.317 18183 12320 1 20 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.617 2.281 18183 12321 1 20 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.313 -0.322 18183 12322 1 20 . 1 1 75 75 GLU H H 733 8.615 8.615 8.615 0.000 18183 12323 1 20 . 1 1 76 76 ALA N N 734 117.705 117.705 121.827 -4.122 18183 12324 1 20 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.214 -0.302 18183 12325 1 20 . 1 1 76 76 ALA C C 734 177.024 177.024 177.188 -0.164 18183 12326 1 20 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.768 0.494 18183 12327 1 20 . 1 1 76 76 ALA CB C 734 19.797 19.797 20.014 -0.217 18183 12328 1 20 . 1 1 76 76 ALA H H 734 7.654 7.654 8.030 -0.376 18183 12329 1 20 . 1 1 77 77 LYS N N 735 119.239 119.239 117.933 1.306 18183 12330 1 20 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.237 -0.146 18183 12331 1 20 . 1 1 77 77 LYS C C 735 172.048 172.048 173.841 -1.793 18183 12332 1 20 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.795 -1.422 18183 12333 1 20 . 1 1 77 77 LYS CB C 735 33.343 33.343 35.898 -2.555 18183 12334 1 20 . 1 1 77 77 LYS H H 735 7.214 7.214 8.048 -0.834 18183 12335 1 20 . 1 1 78 78 LYS N N 736 123.194 123.194 121.060 2.134 18183 12336 1 20 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.831 -0.094 18183 12337 1 20 . 1 1 78 78 LYS C C 736 174.901 174.901 175.033 -0.132 18183 12338 1 20 . 1 1 78 78 LYS CA C 736 54.703 54.703 54.554 0.149 18183 12339 1 20 . 1 1 78 78 LYS CB C 736 35.093 35.093 34.633 0.460 18183 12340 1 20 . 1 1 78 78 LYS H H 736 7.850 7.850 7.780 0.070 18183 12341 1 20 . 1 1 79 79 PHE N N 737 117.645 117.645 118.439 -0.794 18183 12342 1 20 . 1 1 79 79 PHE HA H 737 4.926 4.926 5.084 -0.158 18183 12343 1 20 . 1 1 79 79 PHE C C 737 175.500 175.500 174.983 0.517 18183 12344 1 20 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.514 -0.601 18183 12345 1 20 . 1 1 79 79 PHE CB C 737 43.468 43.468 43.156 0.312 18183 12346 1 20 . 1 1 79 79 PHE H H 737 9.079 9.079 9.065 0.014 18183 12347 1 20 . 1 1 80 80 ASP N N 738 119.264 119.264 121.369 -2.105 18183 12348 1 20 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.991 0.726 18183 12349 1 20 . 1 1 80 80 ASP C C 738 176.014 176.014 175.916 0.098 18183 12350 1 20 . 1 1 80 80 ASP CA C 738 55.645 55.645 55.819 -0.173 18183 12351 1 20 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.632 0.089 18183 12352 1 20 . 1 1 80 80 ASP H H 738 9.332 9.332 9.142 0.190 18183 12353 1 20 . 1 1 81 81 SER N N 739 108.541 108.541 113.376 -4.835 18183 12354 1 20 . 1 1 81 81 SER HA H 739 4.649 4.649 4.742 -0.093 18183 12355 1 20 . 1 1 81 81 SER C C 739 173.719 173.719 174.372 -0.653 18183 12356 1 20 . 1 1 81 81 SER CA C 739 57.148 57.148 57.419 -0.271 18183 12357 1 20 . 1 1 81 81 SER CB C 739 66.475 66.475 66.392 0.083 18183 12358 1 20 . 1 1 81 81 SER H H 739 7.379 7.379 7.892 -0.513 18183 12359 1 20 . 1 1 82 82 LEU N N 740 122.926 122.926 124.826 -1.900 18183 12360 1 20 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.910 -0.154 18183 12361 1 20 . 1 1 82 82 LEU C C 740 177.267 177.267 177.638 -0.371 18183 12362 1 20 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.917 -0.083 18183 12363 1 20 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.516 -0.933 18183 12364 1 20 . 1 1 82 82 LEU H H 740 8.939 8.939 8.855 0.084 18183 12365 1 20 . 1 1 83 83 LEU N N 741 116.722 116.722 119.185 -2.463 18183 12366 1 20 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.892 -0.117 18183 12367 1 20 . 1 1 83 83 LEU C C 741 177.528 177.528 178.791 -1.263 18183 12368 1 20 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.496 -0.357 18183 12369 1 20 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.111 0.566 18183 12370 1 20 . 1 1 83 83 LEU H H 741 7.814 7.814 7.658 0.156 18183 12371 1 20 . 1 1 84 84 GLU N N 742 116.747 116.747 119.152 -2.405 18183 12372 1 20 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.938 -0.071 18183 12373 1 20 . 1 1 84 84 GLU C C 742 178.282 178.282 178.968 -0.686 18183 12374 1 20 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.657 -0.518 18183 12375 1 20 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.369 1.064 18183 12376 1 20 . 1 1 84 84 GLU H H 742 7.541 7.541 7.970 -0.429 18183 12377 1 20 . 1 1 85 85 LEU N N 743 122.157 122.157 120.201 1.956 18183 12378 1 20 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.337 -0.373 18183 12379 1 20 . 1 1 85 85 LEU C C 743 177.315 177.315 178.549 -1.234 18183 12380 1 20 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.650 1.089 18183 12381 1 20 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.951 -0.236 18183 12382 1 20 . 1 1 85 85 LEU H H 743 7.076 7.076 7.218 -0.142 18183 12383 1 20 . 1 1 86 86 VAL N N 744 119.754 119.754 118.342 1.412 18183 12384 1 20 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.439 -0.649 18183 12385 1 20 . 1 1 86 86 VAL C C 744 177.621 177.621 178.057 -0.436 18183 12386 1 20 . 1 1 86 86 VAL CA C 744 66.844 66.844 67.004 -0.160 18183 12387 1 20 . 1 1 86 86 VAL CB C 744 30.965 30.965 31.469 -0.504 18183 12388 1 20 . 1 1 86 86 VAL H H 744 8.116 8.116 7.810 0.306 18183 12389 1 20 . 1 1 87 87 GLU N N 745 116.169 116.169 120.064 -3.895 18183 12390 1 20 . 1 1 87 87 GLU HA H 745 3.715 3.715 4.132 -0.417 18183 12391 1 20 . 1 1 87 87 GLU C C 745 179.560 179.560 179.169 0.391 18183 12392 1 20 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.427 -0.105 18183 12393 1 20 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.596 -0.510 18183 12394 1 20 . 1 1 87 87 GLU H H 745 8.168 8.168 8.757 -0.589 18183 12395 1 20 . 1 1 88 88 TYR N N 746 120.022 120.022 120.689 -0.667 18183 12396 1 20 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.228 -0.135 18183 12397 1 20 . 1 1 88 88 TYR C C 746 180.010 180.010 178.107 1.903 18183 12398 1 20 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.826 0.768 18183 12399 1 20 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.767 0.060 18183 12400 1 20 . 1 1 88 88 TYR H H 746 7.774 7.774 8.256 -0.482 18183 12401 1 20 . 1 1 89 89 TYR N N 747 118.480 118.480 117.256 1.224 18183 12402 1 20 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.225 0.830 18183 12403 1 20 . 1 1 89 89 TYR C C 747 175.796 175.796 178.559 -2.763 18183 12404 1 20 . 1 1 89 89 TYR CA C 747 61.137 61.137 61.688 -0.551 18183 12405 1 20 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.938 -1.008 18183 12406 1 20 . 1 1 89 89 TYR H H 747 7.782 7.782 7.935 -0.153 18183 12407 1 20 . 1 1 90 90 GLN N N 748 118.696 118.696 118.325 0.371 18183 12408 1 20 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.780 0.609 18183 12409 1 20 . 1 1 90 90 GLN C C 748 177.777 177.777 176.236 1.541 18183 12410 1 20 . 1 1 90 90 GLN CA C 748 57.717 57.717 58.990 -1.273 18183 12411 1 20 . 1 1 90 90 GLN CB C 748 28.520 28.520 29.073 -0.552 18183 12412 1 20 . 1 1 90 90 GLN H H 748 7.838 7.838 8.261 -0.423 18183 12413 1 20 . 1 1 91 91 CYS N N 749 111.118 111.118 111.588 -0.470 18183 12414 1 20 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.474 0.128 18183 12415 1 20 . 1 1 91 91 CYS C C 749 172.887 172.887 173.476 -0.589 18183 12416 1 20 . 1 1 91 91 CYS CA C 749 57.434 57.434 56.477 0.957 18183 12417 1 20 . 1 1 91 91 CYS CB C 749 29.266 29.266 26.731 2.535 18183 12418 1 20 . 1 1 91 91 CYS H H 749 7.145 7.145 7.345 -0.200 18183 12419 1 20 . 1 1 92 92 HIS N N 750 120.227 120.227 119.487 0.740 18183 12420 1 20 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.483 -0.151 18183 12421 1 20 . 1 1 92 92 HIS C C 750 171.842 171.842 173.801 -1.959 18183 12422 1 20 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.928 0.149 18183 12423 1 20 . 1 1 92 92 HIS CB C 750 29.376 29.376 33.271 -3.895 18183 12424 1 20 . 1 1 92 92 HIS H H 750 7.470 7.470 7.600 -0.130 18183 12425 1 20 . 1 1 93 93 SER N N 751 113.120 113.120 115.832 -2.712 18183 12426 1 20 . 1 1 93 93 SER HA H 751 3.782 3.782 4.354 -0.572 18183 12427 1 20 . 1 1 93 93 SER C C 751 176.653 176.653 175.011 1.642 18183 12428 1 20 . 1 1 93 93 SER CA C 751 57.812 57.812 59.455 -1.643 18183 12429 1 20 . 1 1 93 93 SER CB C 751 62.783 62.783 64.032 -1.249 18183 12430 1 20 . 1 1 93 93 SER H H 751 8.404 8.404 8.658 -0.254 18183 12431 1 20 . 1 1 94 94 LEU N N 752 127.293 127.293 124.071 3.222 18183 12432 1 20 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.771 -0.702 18183 12433 1 20 . 1 1 94 94 LEU C C 752 177.524 177.524 177.644 -0.120 18183 12434 1 20 . 1 1 94 94 LEU CA C 752 57.396 57.396 55.555 1.841 18183 12435 1 20 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.843 0.644 18183 12436 1 20 . 1 1 94 94 LEU H H 752 8.553 8.553 8.932 -0.379 18183 12437 1 20 . 1 1 95 95 LYS N N 753 122.249 122.249 119.544 2.705 18183 12438 1 20 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.393 -0.065 18183 12439 1 20 . 1 1 95 95 LYS C C 753 176.426 176.426 178.196 -1.770 18183 12440 1 20 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.609 -1.055 18183 12441 1 20 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.495 0.679 18183 12442 1 20 . 1 1 95 95 LYS H H 753 8.303 8.303 7.983 0.320 18183 12443 1 20 . 1 1 96 96 GLU N N 754 115.401 115.401 118.093 -2.692 18183 12444 1 20 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.060 0.025 18183 12445 1 20 . 1 1 96 96 GLU C C 754 176.838 176.838 177.419 -0.581 18183 12446 1 20 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.540 -0.443 18183 12447 1 20 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.499 0.001 18183 12448 1 20 . 1 1 96 96 GLU H H 754 7.188 7.188 8.248 -1.060 18183 12449 1 20 . 1 1 97 97 SER N N 755 113.852 113.852 111.998 1.854 18183 12450 1 20 . 1 1 97 97 SER HA H 755 4.402 4.402 4.492 -0.090 18183 12451 1 20 . 1 1 97 97 SER C C 755 172.067 172.067 174.283 -2.216 18183 12452 1 20 . 1 1 97 97 SER CA C 755 59.448 59.448 59.555 -0.107 18183 12453 1 20 . 1 1 97 97 SER CB C 755 65.680 65.680 65.224 0.456 18183 12454 1 20 . 1 1 97 97 SER H H 755 7.838 7.838 7.811 0.027 18183 12455 1 20 . 1 1 98 98 PHE N N 756 121.742 121.742 121.867 -0.125 18183 12456 1 20 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.758 -0.188 18183 12457 1 20 . 1 1 98 98 PHE C C 756 174.941 174.941 175.478 -0.537 18183 12458 1 20 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.828 -0.080 18183 12459 1 20 . 1 1 98 98 PHE CB C 756 40.281 40.281 40.009 0.272 18183 12460 1 20 . 1 1 98 98 PHE H H 756 8.223 8.223 8.815 -0.592 18183 12461 1 20 . 1 1 99 99 LYS N N 757 122.713 122.713 125.192 -2.479 18183 12462 1 20 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.120 -0.049 18183 12463 1 20 . 1 1 99 99 LYS C C 757 176.793 176.793 177.188 -0.395 18183 12464 1 20 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.003 0.154 18183 12465 1 20 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.203 0.130 18183 12466 1 20 . 1 1 99 99 LYS H H 757 8.388 8.388 8.772 -0.384 18183 12467 1 20 . 1 1 100 100 GLN N N 758 114.972 114.972 117.626 -2.654 18183 12468 1 20 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.399 -0.238 18183 12469 1 20 . 1 1 100 100 GLN C C 758 175.591 175.591 174.939 0.652 18183 12470 1 20 . 1 1 100 100 GLN CA C 758 56.469 56.469 55.458 1.011 18183 12471 1 20 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.993 -1.006 18183 12472 1 20 . 1 1 100 100 GLN H H 758 8.662 8.662 8.255 0.407 18183 12473 1 20 . 1 1 101 101 LEU N N 759 124.472 124.472 121.610 2.862 18183 12474 1 20 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.525 -0.846 18183 12475 1 20 . 1 1 101 101 LEU C C 759 173.228 173.228 173.978 -0.750 18183 12476 1 20 . 1 1 101 101 LEU CA C 759 52.325 52.325 55.320 -2.995 18183 12477 1 20 . 1 1 101 101 LEU CB C 759 41.512 41.512 44.325 -2.813 18183 12478 1 20 . 1 1 101 101 LEU H H 759 7.884 7.884 7.837 0.047 18183 12479 1 20 . 1 1 102 102 ASP N N 760 119.321 119.321 124.247 -4.926 18183 12480 1 20 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.802 -0.317 18183 12481 1 20 . 1 1 102 102 ASP C C 760 173.467 173.467 174.486 -1.019 18183 12482 1 20 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.658 -1.533 18183 12483 1 20 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.959 -1.931 18183 12484 1 20 . 1 1 102 102 ASP H H 760 6.594 6.594 8.375 -1.781 18183 12485 1 20 . 1 1 103 103 THR N N 761 117.213 117.213 116.435 0.778 18183 12486 1 20 . 1 1 103 103 THR HA H 761 4.643 4.643 4.297 0.346 18183 12487 1 20 . 1 1 103 103 THR C C 761 172.158 172.158 173.923 -1.765 18183 12488 1 20 . 1 1 103 103 THR CA C 761 60.197 60.197 59.985 0.212 18183 12489 1 20 . 1 1 103 103 THR CB C 761 69.046 69.046 68.725 0.321 18183 12490 1 20 . 1 1 103 103 THR H H 761 7.637 7.637 7.611 0.026 18183 12491 1 20 . 1 1 104 104 THR N N 762 114.193 114.193 117.522 -3.329 18183 12492 1 20 . 1 1 104 104 THR HA H 762 4.569 4.569 4.056 0.513 18183 12493 1 20 . 1 1 104 104 THR C C 762 175.698 175.698 174.889 0.809 18183 12494 1 20 . 1 1 104 104 THR CA C 762 60.808 60.808 61.937 -1.129 18183 12495 1 20 . 1 1 104 104 THR CB C 762 70.636 70.636 69.671 0.966 18183 12496 1 20 . 1 1 104 104 THR H H 762 7.284 7.284 7.945 -0.661 18183 12497 1 20 . 1 1 105 105 LEU N N 763 117.473 117.473 122.696 -5.223 18183 12498 1 20 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.783 -0.320 18183 12499 1 20 . 1 1 105 105 LEU C C 763 174.348 174.348 176.828 -2.480 18183 12500 1 20 . 1 1 105 105 LEU CA C 763 53.982 53.982 54.974 -0.992 18183 12501 1 20 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.231 -3.548 18183 12502 1 20 . 1 1 105 105 LEU H H 763 8.093 8.093 8.312 -0.219 18183 12503 1 20 . 1 1 106 106 LYS N N 764 127.491 127.491 124.578 2.913 18183 12504 1 20 . 1 1 106 106 LYS HA H 764 3.958 3.958 3.826 0.132 18183 12505 1 20 . 1 1 106 106 LYS C C 764 176.734 176.734 176.289 0.445 18183 12506 1 20 . 1 1 106 106 LYS CA C 764 59.696 59.696 59.000 0.696 18183 12507 1 20 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.220 1.947 18183 12508 1 20 . 1 1 106 106 LYS H H 764 7.118 7.118 7.975 -0.857 18183 12509 1 20 . 1 1 107 107 TYR N N 765 115.804 115.804 114.172 1.632 18183 12510 1 20 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.895 0.569 18183 12511 1 20 . 1 1 107 107 TYR C C 765 172.048 172.048 172.373 -0.325 18183 12512 1 20 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.366 -2.847 18183 12513 1 20 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.879 1.498 18183 12514 1 20 . 1 1 107 107 TYR H H 765 7.848 7.848 8.107 -0.259 18183 12515 1 20 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.344 -0.718 18183 12516 1 20 . 1 1 108 108 PRO C C 766 180.469 180.469 176.511 3.958 18183 12517 1 20 . 1 1 109 109 TYR N N 767 122.791 122.791 116.844 5.947 18183 12518 1 20 . 1 1 109 109 TYR HA H 767 3.784 3.784 3.800 -0.016 18183 12519 1 20 . 1 1 109 109 TYR C C 767 174.575 174.575 177.089 -2.514 18183 12520 1 20 . 1 1 109 109 TYR CA C 767 60.986 60.986 60.060 0.926 18183 12521 1 20 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.356 0.270 18183 12522 1 20 . 1 1 109 109 TYR H H 767 8.306 8.306 8.076 0.230 18183 12523 1 20 . 1 1 110 110 LYS N N 768 118.817 118.817 119.253 -0.436 18183 12524 1 20 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.690 0.213 18183 12525 1 20 . 1 1 110 110 LYS C C 768 176.259 176.259 177.206 -0.947 18183 12526 1 20 . 1 1 110 110 LYS CA C 768 56.595 56.595 58.779 -2.184 18183 12527 1 20 . 1 1 110 110 LYS CB C 768 32.605 32.605 31.971 0.634 18183 12528 1 20 . 1 1 110 110 LYS H H 768 6.785 6.785 7.929 -1.144 18183 12529 1 20 . 1 1 111 111 SER N N 769 114.539 114.539 109.997 4.542 18183 12530 1 20 . 1 1 111 111 SER HA H 769 4.317 4.317 4.450 -0.133 18183 12531 1 20 . 1 1 111 111 SER C C 769 174.092 174.092 173.562 0.530 18183 12532 1 20 . 1 1 111 111 SER CA C 769 58.647 58.647 58.706 -0.059 18183 12533 1 20 . 1 1 111 111 SER CB C 769 63.883 63.883 64.672 -0.790 18183 12534 1 20 . 1 1 111 111 SER H H 769 7.765 7.765 7.974 -0.209 18183 12535 1 20 . 1 1 112 112 ARG N N 770 122.458 122.458 121.801 0.657 18183 12536 1 20 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.363 -0.041 18183 12537 1 20 . 1 1 112 112 ARG C C 770 175.130 175.130 175.083 0.047 18183 12538 1 20 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.544 -0.880 18183 12539 1 20 . 1 1 112 112 ARG CB C 770 30.880 30.880 29.428 1.452 18183 12540 1 20 . 1 1 112 112 ARG H H 770 8.082 8.082 8.224 -0.142 18183 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 104 2.932 -0.274 2.933 18183 2 1 1 "Average Difference" HA 112 0.388 0.074 0.383 18183 3 1 1 "Average Difference" C 106 1.139 0.089 1.141 18183 4 1 1 "Average Difference" CA 103 1.269 -0.182 1.262 18183 5 1 1 "Average Difference" CB 101 1.248 0.112 1.249 18183 6 1 1 "Average Difference" HN 105 0.555 -0.058 0.555 18183 7 1 2 "Average Difference" N 104 2.906 -0.047 2.920 18183 8 1 2 "Average Difference" HA 112 0.336 0.035 0.336 18183 9 1 2 "Average Difference" C 106 1.092 0.245 1.069 18183 10 1 2 "Average Difference" CA 103 0.996 0.095 0.996 18183 11 1 2 "Average Difference" CB 101 1.297 0.147 1.295 18183 12 1 2 "Average Difference" HN 105 0.543 0.017 0.545 18183 13 1 3 "Average Difference" N 104 3.032 0.053 3.046 18183 14 1 3 "Average Difference" HA 112 0.395 0.070 0.390 18183 15 1 3 "Average Difference" C 106 1.134 0.146 1.130 18183 16 1 3 "Average Difference" CA 103 1.225 -0.142 1.223 18183 17 1 3 "Average Difference" CB 101 1.243 0.050 1.248 18183 18 1 3 "Average Difference" HN 105 0.520 -0.019 0.523 18183 19 1 4 "Average Difference" N 104 3.062 -0.119 3.075 18183 20 1 4 "Average Difference" HA 112 0.376 0.052 0.374 18183 21 1 4 "Average Difference" C 106 1.190 0.186 1.180 18183 22 1 4 "Average Difference" CA 103 1.185 0.004 1.190 18183 23 1 4 "Average Difference" CB 101 1.153 0.182 1.144 18183 24 1 4 "Average Difference" HN 105 0.597 -0.052 0.598 18183 25 1 5 "Average Difference" N 104 2.767 -0.058 2.780 18183 26 1 5 "Average Difference" HA 112 0.389 0.053 0.388 18183 27 1 5 "Average Difference" C 106 1.144 0.297 1.110 18183 28 1 5 "Average Difference" CA 103 1.049 0.023 1.054 18183 29 1 5 "Average Difference" CB 101 1.170 0.081 1.173 18183 30 1 5 "Average Difference" HN 105 0.563 -0.046 0.564 18183 31 1 6 "Average Difference" N 104 3.001 0.006 3.015 18183 32 1 6 "Average Difference" HA 112 0.382 0.094 0.372 18183 33 1 6 "Average Difference" C 106 1.222 0.100 1.223 18183 34 1 6 "Average Difference" CA 103 1.151 -0.080 1.153 18183 35 1 6 "Average Difference" CB 101 1.257 0.094 1.260 18183 36 1 6 "Average Difference" HN 105 0.559 0.015 0.561 18183 37 1 7 "Average Difference" N 104 2.824 -0.014 2.838 18183 38 1 7 "Average Difference" HA 112 0.397 0.071 0.392 18183 39 1 7 "Average Difference" C 106 1.095 0.102 1.095 18183 40 1 7 "Average Difference" CA 103 1.240 -0.114 1.241 18183 41 1 7 "Average Difference" CB 101 1.247 0.036 1.253 18183 42 1 7 "Average Difference" HN 105 0.511 -0.017 0.513 18183 43 1 8 "Average Difference" N 104 3.003 -0.017 3.017 18183 44 1 8 "Average Difference" HA 112 0.395 0.066 0.391 18183 45 1 8 "Average Difference" C 106 1.085 0.165 1.078 18183 46 1 8 "Average Difference" CA 103 1.196 -0.136 1.194 18183 47 1 8 "Average Difference" CB 101 1.223 0.102 1.224 18183 48 1 8 "Average Difference" HN 105 0.602 -0.033 0.604 18183 49 1 9 "Average Difference" N 104 3.012 -0.417 2.997 18183 50 1 9 "Average Difference" HA 112 0.354 0.062 0.350 18183 51 1 9 "Average Difference" C 106 1.164 0.168 1.158 18183 52 1 9 "Average Difference" CA 103 1.190 0.044 1.195 18183 53 1 9 "Average Difference" CB 101 1.321 0.083 1.325 18183 54 1 9 "Average Difference" HN 105 0.579 -0.042 0.580 18183 55 1 10 "Average Difference" N 104 2.860 -0.210 2.866 18183 56 1 10 "Average Difference" HA 112 0.372 0.067 0.368 18183 57 1 10 "Average Difference" C 106 1.126 0.039 1.131 18183 58 1 10 "Average Difference" CA 103 1.309 -0.204 1.300 18183 59 1 10 "Average Difference" CB 101 1.229 0.060 1.233 18183 60 1 10 "Average Difference" HN 105 0.529 -0.069 0.527 18183 61 1 11 "Average Difference" N 104 2.844 -0.152 2.853 18183 62 1 11 "Average Difference" HA 112 0.422 0.053 0.421 18183 63 1 11 "Average Difference" C 106 1.179 0.155 1.174 18183 64 1 11 "Average Difference" CA 103 1.079 -0.034 1.084 18183 65 1 11 "Average Difference" CB 101 1.248 0.067 1.253 18183 66 1 11 "Average Difference" HN 105 0.543 0.000 0.545 18183 67 1 12 "Average Difference" N 104 2.789 -0.318 2.784 18183 68 1 12 "Average Difference" HA 112 0.353 0.045 0.352 18183 69 1 12 "Average Difference" C 106 1.065 0.156 1.058 18183 70 1 12 "Average Difference" CA 103 1.092 0.040 1.096 18183 71 1 12 "Average Difference" CB 101 1.305 0.055 1.311 18183 72 1 12 "Average Difference" HN 105 0.585 -0.058 0.585 18183 73 1 13 "Average Difference" N 104 2.868 0.009 2.882 18183 74 1 13 "Average Difference" HA 112 0.385 0.038 0.385 18183 75 1 13 "Average Difference" C 106 1.121 0.170 1.114 18183 76 1 13 "Average Difference" CA 103 1.008 0.055 1.011 18183 77 1 13 "Average Difference" CB 101 1.164 0.093 1.166 18183 78 1 13 "Average Difference" HN 105 0.497 -0.007 0.499 18183 79 1 14 "Average Difference" N 104 3.013 -0.078 3.026 18183 80 1 14 "Average Difference" HA 112 0.406 0.047 0.405 18183 81 1 14 "Average Difference" C 106 1.141 0.116 1.141 18183 82 1 14 "Average Difference" CA 103 1.077 -0.036 1.082 18183 83 1 14 "Average Difference" CB 101 1.380 0.069 1.385 18183 84 1 14 "Average Difference" HN 105 0.563 -0.054 0.563 18183 85 1 15 "Average Difference" N 104 2.830 -0.050 2.843 18183 86 1 15 "Average Difference" HA 112 0.368 0.045 0.367 18183 87 1 15 "Average Difference" C 106 1.134 0.169 1.127 18183 88 1 15 "Average Difference" CA 103 1.138 0.011 1.144 18183 89 1 15 "Average Difference" CB 101 1.283 0.123 1.283 18183 90 1 15 "Average Difference" HN 105 0.556 0.008 0.559 18183 91 1 16 "Average Difference" N 104 2.641 0.022 2.654 18183 92 1 16 "Average Difference" HA 112 0.376 0.046 0.375 18183 93 1 16 "Average Difference" C 106 1.109 0.149 1.104 18183 94 1 16 "Average Difference" CA 103 1.167 -0.047 1.172 18183 95 1 16 "Average Difference" CB 101 1.302 0.118 1.303 18183 96 1 16 "Average Difference" HN 105 0.585 -0.011 0.588 18183 97 1 17 "Average Difference" N 104 3.071 0.043 3.085 18183 98 1 17 "Average Difference" HA 112 0.367 0.068 0.363 18183 99 1 17 "Average Difference" C 106 1.139 0.105 1.140 18183 100 1 17 "Average Difference" CA 103 1.164 0.031 1.169 18183 101 1 17 "Average Difference" CB 101 1.222 0.047 1.228 18183 102 1 17 "Average Difference" HN 105 0.569 -0.086 0.565 18183 103 1 18 "Average Difference" N 104 3.073 -0.238 3.079 18183 104 1 18 "Average Difference" HA 112 0.390 0.049 0.388 18183 105 1 18 "Average Difference" C 106 1.230 0.127 1.229 18183 106 1 18 "Average Difference" CA 103 1.222 -0.083 1.225 18183 107 1 18 "Average Difference" CB 101 1.414 0.039 1.421 18183 108 1 18 "Average Difference" HN 105 0.565 -0.057 0.565 18183 109 1 19 "Average Difference" N 104 2.745 0.039 2.758 18183 110 1 19 "Average Difference" HA 112 0.417 0.059 0.414 18183 111 1 19 "Average Difference" C 106 1.150 0.209 1.136 18183 112 1 19 "Average Difference" CA 103 1.101 -0.070 1.104 18183 113 1 19 "Average Difference" CB 101 1.180 0.030 1.185 18183 114 1 19 "Average Difference" HN 105 0.550 -0.056 0.550 18183 115 1 20 "Average Difference" N 104 2.734 -0.170 2.742 18183 116 1 20 "Average Difference" HA 112 0.396 0.023 0.397 18183 117 1 20 "Average Difference" C 106 1.137 0.125 1.135 18183 118 1 20 "Average Difference" CA 103 1.109 0.038 1.114 18183 119 1 20 "Average Difference" CB 101 1.242 0.088 1.245 18183 120 1 20 "Average Difference" HN 105 0.567 -0.040 0.568 18183 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 18183 _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 660 123.546 123.546 123.157 0.390 18183 2 1 . 1 1 2 2 ARG HA H 660 4.576 4.576 4.595 -0.019 18183 3 1 . 1 1 2 2 ARG CA C 660 53.850 53.850 54.882 -1.032 18183 4 1 . 1 1 2 2 ARG CB C 660 30.347 30.347 30.513 -0.166 18183 5 1 . 1 1 2 2 ARG H H 660 8.258 8.258 8.417 -0.159 18183 6 1 . 1 1 4 4 PRO HA H 662 4.356 4.356 4.495 -0.139 18183 7 1 . 1 1 4 4 PRO C C 662 177.047 177.047 176.493 0.554 18183 8 1 . 1 1 4 4 PRO CA C 662 63.221 63.221 62.899 0.322 18183 9 1 . 1 1 4 4 PRO CB C 662 31.975 31.975 32.164 -0.189 18183 10 1 . 1 1 5 5 SER N N 663 116.108 116.108 117.265 -1.157 18183 11 1 . 1 1 5 5 SER HA H 663 4.335 4.335 4.542 -0.207 18183 12 1 . 1 1 5 5 SER C C 663 174.708 174.708 174.402 0.306 18183 13 1 . 1 1 5 5 SER CA C 663 58.639 58.639 58.555 0.084 18183 14 1 . 1 1 5 5 SER CB C 663 63.849 63.849 63.698 0.152 18183 15 1 . 1 1 5 5 SER H H 663 8.385 8.385 8.378 0.007 18183 16 1 . 1 1 6 6 ARG N N 664 122.132 122.132 122.156 -0.024 18183 17 1 . 1 1 6 6 ARG HA H 664 4.319 4.319 4.386 -0.067 18183 18 1 . 1 1 6 6 ARG C C 664 175.951 175.951 175.119 0.832 18183 19 1 . 1 1 6 6 ARG CA C 664 55.931 55.931 56.309 -0.378 18183 20 1 . 1 1 6 6 ARG CB C 664 30.832 30.832 30.483 0.349 18183 21 1 . 1 1 6 6 ARG H H 664 8.347 8.347 8.324 0.023 18183 22 1 . 1 1 7 7 GLU N N 665 122.268 122.268 119.573 2.695 18183 23 1 . 1 1 7 7 GLU HA H 665 4.262 4.262 4.395 -0.133 18183 24 1 . 1 1 7 7 GLU C C 665 175.809 175.809 175.188 0.621 18183 25 1 . 1 1 7 7 GLU CA C 665 56.170 56.170 55.918 0.252 18183 26 1 . 1 1 7 7 GLU CB C 665 29.908 29.908 30.745 -0.837 18183 27 1 . 1 1 7 7 GLU H H 665 8.336 8.336 8.255 0.081 18183 28 1 . 1 1 8 8 ILE N N 666 123.984 123.984 121.939 2.045 18183 29 1 . 1 1 8 8 ILE HA H 666 3.780 3.780 4.100 -0.320 18183 30 1 . 1 1 8 8 ILE C C 666 174.325 174.325 175.566 -1.241 18183 31 1 . 1 1 8 8 ILE CA C 666 60.809 60.809 60.830 -0.021 18183 32 1 . 1 1 8 8 ILE CB C 666 39.233 39.233 38.827 0.406 18183 33 1 . 1 1 8 8 ILE H H 666 7.920 7.920 8.071 -0.151 18183 34 1 . 1 1 9 9 ASP N N 667 124.228 124.228 126.591 -2.363 18183 35 1 . 1 1 9 9 ASP HA H 667 4.568 4.568 4.594 -0.026 18183 36 1 . 1 1 9 9 ASP C C 667 177.001 177.001 176.098 0.903 18183 37 1 . 1 1 9 9 ASP CA C 667 51.991 51.991 53.380 -1.389 18183 38 1 . 1 1 9 9 ASP CB C 667 40.310 40.310 39.678 0.632 18183 39 1 . 1 1 9 9 ASP H H 667 8.072 8.072 8.539 -0.467 18183 40 1 . 1 1 10 10 TYR N N 668 125.329 125.329 120.695 4.634 18183 41 1 . 1 1 10 10 TYR HA H 668 4.128 4.128 4.115 0.013 18183 42 1 . 1 1 10 10 TYR C C 668 175.901 175.901 176.801 -0.900 18183 43 1 . 1 1 10 10 TYR CA C 668 60.557 60.557 59.919 0.638 18183 44 1 . 1 1 10 10 TYR CB C 668 36.166 36.166 37.405 -1.239 18183 45 1 . 1 1 10 10 TYR H H 668 8.493 8.493 7.805 0.688 18183 46 1 . 1 1 11 11 THR N N 669 108.533 108.533 110.685 -2.152 18183 47 1 . 1 1 11 11 THR HA H 669 4.082 4.082 3.719 0.363 18183 48 1 . 1 1 11 11 THR C C 669 175.170 175.170 175.195 -0.025 18183 49 1 . 1 1 11 11 THR CA C 669 64.701 64.701 64.048 0.653 18183 50 1 . 1 1 11 11 THR CB C 669 68.924 68.924 68.224 0.700 18183 51 1 . 1 1 11 11 THR H H 669 7.948 7.948 7.717 0.231 18183 52 1 . 1 1 12 12 ALA N N 670 121.252 121.252 123.052 -1.800 18183 53 1 . 1 1 12 12 ALA HA H 670 4.023 4.023 4.064 -0.041 18183 54 1 . 1 1 12 12 ALA C C 670 177.747 177.747 177.690 0.057 18183 55 1 . 1 1 12 12 ALA CA C 670 52.499 52.499 53.020 -0.521 18183 56 1 . 1 1 12 12 ALA CB C 670 19.227 19.227 18.695 0.532 18183 57 1 . 1 1 12 12 ALA H H 670 7.366 7.366 7.323 0.043 18183 58 1 . 1 1 13 13 TYR N N 671 117.895 117.895 117.762 0.133 18183 59 1 . 1 1 13 13 TYR HA H 671 4.252 4.252 4.226 0.026 18183 60 1 . 1 1 13 13 TYR C C 671 176.545 176.545 175.318 1.227 18183 61 1 . 1 1 13 13 TYR CA C 671 56.472 56.472 55.995 0.477 18183 62 1 . 1 1 13 13 TYR CB C 671 36.559 36.559 37.197 -0.638 18183 63 1 . 1 1 13 13 TYR H H 671 7.490 7.490 7.184 0.306 18183 64 1 . 1 1 14 14 PRO HA H 672 4.300 4.300 4.343 -0.043 18183 65 1 . 1 1 14 14 PRO C C 672 173.638 173.638 176.091 -2.453 18183 66 1 . 1 1 14 14 PRO CA C 672 63.751 63.751 63.949 -0.198 18183 67 1 . 1 1 14 14 PRO CB C 672 31.244 31.244 31.854 -0.610 18183 68 1 . 1 1 15 15 TRP N N 673 109.940 109.940 114.685 -4.745 18183 69 1 . 1 1 15 15 TRP HA H 673 4.706 4.706 4.858 -0.152 18183 70 1 . 1 1 15 15 TRP C C 673 175.471 175.471 175.356 0.115 18183 71 1 . 1 1 15 15 TRP CA C 673 52.850 52.850 55.386 -2.536 18183 72 1 . 1 1 15 15 TRP CB C 673 32.436 32.436 28.792 3.644 18183 73 1 . 1 1 15 15 TRP H H 673 6.184 6.184 7.377 -1.193 18183 74 1 . 1 1 16 16 PHE N N 674 123.228 123.228 121.380 1.849 18183 75 1 . 1 1 16 16 PHE HA H 674 5.101 5.101 4.864 0.237 18183 76 1 . 1 1 16 16 PHE C C 674 174.684 174.684 174.421 0.263 18183 77 1 . 1 1 16 16 PHE CA C 674 59.566 59.566 57.904 1.662 18183 78 1 . 1 1 16 16 PHE CB C 674 39.968 39.968 41.292 -1.324 18183 79 1 . 1 1 16 16 PHE H H 674 7.585 7.585 7.637 -0.052 18183 80 1 . 1 1 17 17 ALA N N 675 130.573 130.573 127.021 3.552 18183 81 1 . 1 1 17 17 ALA HA H 675 4.842 4.842 4.788 0.054 18183 82 1 . 1 1 17 17 ALA C C 675 177.161 177.161 176.773 0.388 18183 83 1 . 1 1 17 17 ALA CA C 675 51.168 51.168 51.380 -0.212 18183 84 1 . 1 1 17 17 ALA CB C 675 21.968 21.968 21.099 0.869 18183 85 1 . 1 1 17 17 ALA H H 675 9.004 9.004 8.286 0.718 18183 86 1 . 1 1 18 18 GLY C C 676 174.000 174.000 173.464 0.536 18183 87 1 . 1 1 18 18 GLY CA C 676 46.490 46.490 44.590 1.900 18183 88 1 . 1 1 19 19 ASN N N 677 124.182 124.182 120.759 3.423 18183 89 1 . 1 1 19 19 ASN HA H 677 5.006 5.006 4.917 0.089 18183 90 1 . 1 1 19 19 ASN C C 677 174.916 174.916 174.920 -0.004 18183 91 1 . 1 1 19 19 ASN CA C 677 52.605 52.605 52.984 -0.379 18183 92 1 . 1 1 19 19 ASN CB C 677 37.065 37.065 37.745 -0.680 18183 93 1 . 1 1 19 19 ASN H H 677 8.657 8.657 8.542 0.115 18183 94 1 . 1 1 20 20 MET N N 678 122.806 122.806 121.380 1.426 18183 95 1 . 1 1 20 20 MET HA H 678 4.173 4.173 4.563 -0.390 18183 96 1 . 1 1 20 20 MET C C 678 175.317 175.317 175.533 -0.216 18183 97 1 . 1 1 20 20 MET CA C 678 56.274 56.274 54.820 1.454 18183 98 1 . 1 1 20 20 MET CB C 678 35.581 35.581 34.665 0.916 18183 99 1 . 1 1 20 20 MET H H 678 7.158 7.158 7.803 -0.645 18183 100 1 . 1 1 21 21 GLU N N 679 124.655 124.655 120.981 3.674 18183 101 1 . 1 1 21 21 GLU HA H 679 4.201 4.201 4.417 -0.216 18183 102 1 . 1 1 21 21 GLU C C 679 178.105 178.105 177.369 0.736 18183 103 1 . 1 1 21 21 GLU CA C 679 56.016 56.016 55.957 0.059 18183 104 1 . 1 1 21 21 GLU CB C 679 30.890 30.890 30.865 0.026 18183 105 1 . 1 1 21 21 GLU H H 679 8.687 8.687 8.606 0.081 18183 106 1 . 1 1 22 22 ARG N N 680 125.764 125.764 122.409 3.355 18183 107 1 . 1 1 22 22 ARG HA H 680 3.280 3.280 3.953 -0.673 18183 108 1 . 1 1 22 22 ARG C C 680 177.559 177.559 178.592 -1.033 18183 109 1 . 1 1 22 22 ARG CA C 680 61.054 61.054 60.155 0.899 18183 110 1 . 1 1 22 22 ARG CB C 680 29.868 29.868 30.143 -0.275 18183 111 1 . 1 1 22 22 ARG H H 680 9.191 9.191 8.772 0.419 18183 112 1 . 1 1 23 23 GLN N N 681 118.109 118.109 118.857 -0.748 18183 113 1 . 1 1 23 23 GLN HA H 681 3.993 3.993 4.069 -0.076 18183 114 1 . 1 1 23 23 GLN C C 681 178.252 178.252 178.269 -0.017 18183 115 1 . 1 1 23 23 GLN CA C 681 59.599 59.599 59.355 0.244 18183 116 1 . 1 1 23 23 GLN CB C 681 27.765 27.765 27.913 -0.148 18183 117 1 . 1 1 23 23 GLN H H 681 9.085 9.085 8.603 0.482 18183 118 1 . 1 1 24 24 GLN N N 682 118.128 118.128 117.548 0.580 18183 119 1 . 1 1 24 24 GLN HA H 682 4.051 4.051 4.066 -0.015 18183 120 1 . 1 1 24 24 GLN C C 682 178.328 178.328 178.625 -0.297 18183 121 1 . 1 1 24 24 GLN CA C 682 58.765 58.765 59.248 -0.483 18183 122 1 . 1 1 24 24 GLN CB C 682 28.232 28.232 28.456 -0.224 18183 123 1 . 1 1 24 24 GLN H H 682 7.287 7.287 8.397 -1.110 18183 124 1 . 1 1 25 25 THR N N 683 116.436 116.436 116.293 0.143 18183 125 1 . 1 1 25 25 THR HA H 683 3.641 3.641 3.929 -0.288 18183 126 1 . 1 1 25 25 THR CA C 683 67.504 67.504 67.345 0.159 18183 127 1 . 1 1 25 25 THR CB C 683 67.667 67.667 68.408 -0.741 18183 128 1 . 1 1 25 25 THR H H 683 7.813 7.813 7.955 -0.142 18183 129 1 . 1 1 26 26 ASP N N 684 123.084 123.084 121.210 1.874 18183 130 1 . 1 1 26 26 ASP HA H 684 4.228 4.228 4.447 -0.219 18183 131 1 . 1 1 26 26 ASP C C 684 178.426 178.426 177.754 0.672 18183 132 1 . 1 1 26 26 ASP CA C 684 58.020 58.020 57.345 0.675 18183 133 1 . 1 1 26 26 ASP CB C 684 39.826 39.826 41.075 -1.249 18183 134 1 . 1 1 26 26 ASP H H 684 8.384 8.384 7.944 0.440 18183 135 1 . 1 1 27 27 ASN N N 685 116.068 116.068 117.401 -1.333 18183 136 1 . 1 1 27 27 ASN HA H 685 4.319 4.319 4.540 -0.221 18183 137 1 . 1 1 27 27 ASN C C 685 177.207 177.207 177.739 -0.532 18183 138 1 . 1 1 27 27 ASN CA C 685 55.747 55.747 55.196 0.551 18183 139 1 . 1 1 27 27 ASN CB C 685 38.197 38.197 38.496 -0.299 18183 140 1 . 1 1 27 27 ASN H H 685 7.667 7.667 7.961 -0.294 18183 141 1 . 1 1 28 28 LEU N N 686 120.906 120.906 120.555 0.351 18183 142 1 . 1 1 28 28 LEU HA H 686 4.169 4.169 4.192 -0.023 18183 143 1 . 1 1 28 28 LEU C C 686 179.394 179.394 178.124 1.270 18183 144 1 . 1 1 28 28 LEU CA C 686 57.821 57.821 57.709 0.112 18183 145 1 . 1 1 28 28 LEU CB C 686 42.692 42.692 42.043 0.649 18183 146 1 . 1 1 28 28 LEU H H 686 7.993 7.993 7.878 0.115 18183 147 1 . 1 1 29 29 LEU N N 687 114.941 114.941 114.936 0.005 18183 148 1 . 1 1 29 29 LEU HA H 687 4.051 4.051 4.617 -0.566 18183 149 1 . 1 1 29 29 LEU C C 687 178.742 178.742 177.586 1.156 18183 150 1 . 1 1 29 29 LEU CA C 687 56.437 56.437 54.670 1.767 18183 151 1 . 1 1 29 29 LEU CB C 687 42.842 42.842 41.035 1.807 18183 152 1 . 1 1 29 29 LEU H H 687 8.166 8.166 7.687 0.479 18183 153 1 . 1 1 30 30 LYS N N 688 118.446 118.446 118.895 -0.449 18183 154 1 . 1 1 30 30 LYS HA H 688 3.713 3.713 4.128 -0.415 18183 155 1 . 1 1 30 30 LYS C C 688 177.260 177.260 177.394 -0.134 18183 156 1 . 1 1 30 30 LYS CA C 688 60.478 60.478 58.567 1.911 18183 157 1 . 1 1 30 30 LYS CB C 688 32.084 32.084 32.300 -0.216 18183 158 1 . 1 1 30 30 LYS H H 688 7.635 7.635 7.565 0.070 18183 159 1 . 1 1 31 31 SER N N 689 111.039 111.039 112.756 -1.717 18183 160 1 . 1 1 31 31 SER HA H 689 4.417 4.417 4.546 -0.129 18183 161 1 . 1 1 31 31 SER C C 689 174.495 174.495 174.308 0.187 18183 162 1 . 1 1 31 31 SER CA C 689 58.387 58.387 58.010 0.377 18183 163 1 . 1 1 31 31 SER CB C 689 63.281 63.281 63.714 -0.433 18183 164 1 . 1 1 31 31 SER H H 689 7.709 7.709 8.035 -0.326 18183 165 1 . 1 1 32 32 HIS N N 690 120.253 120.253 121.671 -1.418 18183 166 1 . 1 1 32 32 HIS HA H 690 4.576 4.576 4.607 -0.031 18183 167 1 . 1 1 32 32 HIS C C 690 173.913 173.913 174.649 -0.736 18183 168 1 . 1 1 32 32 HIS CA C 690 56.076 56.076 56.839 -0.763 18183 169 1 . 1 1 32 32 HIS CB C 690 31.853 31.853 31.228 0.625 18183 170 1 . 1 1 32 32 HIS H H 690 7.647 7.647 7.644 0.003 18183 171 1 . 1 1 33 33 ALA N N 691 120.403 120.403 123.197 -2.794 18183 172 1 . 1 1 33 33 ALA HA H 691 4.278 4.278 4.504 -0.226 18183 173 1 . 1 1 33 33 ALA C C 691 179.503 179.503 176.934 2.569 18183 174 1 . 1 1 33 33 ALA CA C 691 51.718 51.718 51.606 0.112 18183 175 1 . 1 1 33 33 ALA CB C 691 20.269 20.269 20.364 -0.095 18183 176 1 . 1 1 33 33 ALA H H 691 8.452 8.452 8.662 -0.210 18183 177 1 . 1 1 34 34 SER N N 692 117.464 117.464 115.861 1.603 18183 178 1 . 1 1 34 34 SER HA H 692 4.047 4.047 4.532 -0.485 18183 179 1 . 1 1 34 34 SER C C 692 175.307 175.307 175.322 -0.015 18183 180 1 . 1 1 34 34 SER CA C 692 60.434 60.434 59.609 0.825 18183 181 1 . 1 1 34 34 SER CB C 692 63.132 63.132 62.602 0.530 18183 182 1 . 1 1 34 34 SER H H 692 9.002 9.002 8.567 0.435 18183 183 1 . 1 1 35 35 GLY N N 693 113.364 113.364 113.291 0.073 18183 184 1 . 1 1 35 35 GLY C C 693 174.739 174.739 173.582 1.157 18183 185 1 . 1 1 35 35 GLY CA C 693 44.850 44.850 45.288 -0.438 18183 186 1 . 1 1 35 35 GLY H H 693 9.873 9.873 8.937 0.936 18183 187 1 . 1 1 36 36 THR N N 694 120.932 120.932 119.690 1.242 18183 188 1 . 1 1 36 36 THR HA H 694 5.923 5.923 5.466 0.457 18183 189 1 . 1 1 36 36 THR C C 694 173.253 173.253 173.630 -0.377 18183 190 1 . 1 1 36 36 THR CA C 694 63.429 63.429 62.514 0.915 18183 191 1 . 1 1 36 36 THR CB C 694 68.091 68.091 69.684 -1.593 18183 192 1 . 1 1 36 36 THR H H 694 8.240 8.240 7.584 0.656 18183 193 1 . 1 1 37 37 TYR N N 695 123.567 123.567 124.066 -0.499 18183 194 1 . 1 1 37 37 TYR HA H 695 5.976 5.976 5.401 0.575 18183 195 1 . 1 1 37 37 TYR C C 695 171.737 171.737 173.167 -1.430 18183 196 1 . 1 1 37 37 TYR CA C 695 55.235 55.235 54.906 0.330 18183 197 1 . 1 1 37 37 TYR CB C 695 44.289 44.289 41.295 2.994 18183 198 1 . 1 1 37 37 TYR H H 695 8.765 8.765 8.410 0.355 18183 199 1 . 1 1 38 38 LEU N N 696 115.294 115.294 116.441 -1.147 18183 200 1 . 1 1 38 38 LEU HA H 696 5.103 5.103 5.156 -0.053 18183 201 1 . 1 1 38 38 LEU C C 696 174.368 174.368 174.629 -0.261 18183 202 1 . 1 1 38 38 LEU CA C 696 53.832 53.832 54.306 -0.474 18183 203 1 . 1 1 38 38 LEU CB C 696 46.294 46.294 46.094 0.200 18183 204 1 . 1 1 38 38 LEU H H 696 9.008 9.008 8.725 0.283 18183 205 1 . 1 1 39 39 ILE N N 697 122.087 122.087 120.293 1.794 18183 206 1 . 1 1 39 39 ILE HA H 697 5.293 5.293 4.779 0.514 18183 207 1 . 1 1 39 39 ILE C C 697 173.625 173.625 174.887 -1.262 18183 208 1 . 1 1 39 39 ILE CA C 697 59.806 59.806 59.958 -0.152 18183 209 1 . 1 1 39 39 ILE CB C 697 38.766 38.766 40.179 -1.413 18183 210 1 . 1 1 39 39 ILE H H 697 9.276 9.276 8.495 0.781 18183 211 1 . 1 1 40 40 ARG N N 698 123.307 123.307 124.569 -1.262 18183 212 1 . 1 1 40 40 ARG HA H 698 5.144 5.144 4.763 0.381 18183 213 1 . 1 1 40 40 ARG C C 698 173.789 173.789 174.578 -0.789 18183 214 1 . 1 1 40 40 ARG CA C 698 52.171 52.171 53.714 -1.543 18183 215 1 . 1 1 40 40 ARG CB C 698 33.426 33.426 33.555 -0.129 18183 216 1 . 1 1 40 40 ARG H H 698 9.032 9.032 8.676 0.356 18183 217 1 . 1 1 41 41 GLU N N 699 122.502 122.502 120.304 2.198 18183 218 1 . 1 1 41 41 GLU HA H 699 4.991 4.991 4.588 0.403 18183 219 1 . 1 1 41 41 GLU C C 699 175.788 175.788 174.982 0.806 18183 220 1 . 1 1 41 41 GLU CA C 699 54.839 54.839 55.299 -0.460 18183 221 1 . 1 1 41 41 GLU CB C 699 32.923 32.923 33.014 -0.091 18183 222 1 . 1 1 41 41 GLU H H 699 8.453 8.453 8.310 0.143 18183 223 1 . 1 1 42 42 ARG N N 700 125.039 125.039 123.503 1.536 18183 224 1 . 1 1 42 42 ARG HA H 700 4.654 4.654 4.744 -0.090 18183 225 1 . 1 1 42 42 ARG H H 700 8.844 8.844 8.114 0.730 18183 226 1 . 1 1 43 43 PRO HA H 701 4.215 4.215 4.369 -0.154 18183 227 1 . 1 1 43 43 PRO C C 701 176.485 176.485 175.760 0.725 18183 228 1 . 1 1 43 43 PRO CA C 701 64.030 64.030 63.261 0.769 18183 229 1 . 1 1 43 43 PRO CB C 701 31.450 31.450 31.552 -0.102 18183 230 1 . 1 1 44 44 ALA N N 702 120.718 120.718 126.319 -5.601 18183 231 1 . 1 1 44 44 ALA HA H 702 4.243 4.243 4.438 -0.195 18183 232 1 . 1 1 44 44 ALA C C 702 176.924 176.924 176.816 0.108 18183 233 1 . 1 1 44 44 ALA CA C 702 52.068 52.068 51.758 0.310 18183 234 1 . 1 1 44 44 ALA CB C 702 19.427 19.427 20.499 -1.072 18183 235 1 . 1 1 44 44 ALA H H 702 8.217 8.217 7.892 0.325 18183 236 1 . 1 1 45 45 GLU N N 703 118.107 118.107 119.663 -1.556 18183 237 1 . 1 1 45 45 GLU HA H 703 4.305 4.305 4.213 0.092 18183 238 1 . 1 1 45 45 GLU C C 703 176.308 176.308 177.065 -0.757 18183 239 1 . 1 1 45 45 GLU H H 703 7.638 7.638 8.786 -1.148 18183 240 1 . 1 1 46 46 ALA N N 704 122.161 122.161 122.015 0.146 18183 241 1 . 1 1 46 46 ALA HA H 704 4.135 4.135 4.343 -0.208 18183 242 1 . 1 1 46 46 ALA C C 704 178.439 178.439 177.122 1.317 18183 243 1 . 1 1 46 46 ALA H H 704 8.596 8.596 7.940 0.656 18183 244 1 . 1 1 47 47 GLU HA H 705 4.646 4.646 4.529 0.117 18183 245 1 . 1 1 47 47 GLU C C 705 175.340 175.340 175.962 -0.622 18183 246 1 . 1 1 47 47 GLU H H 705 7.642 7.642 8.275 -0.633 18183 247 1 . 1 1 48 48 ARG N N 706 122.871 122.871 121.443 1.428 18183 248 1 . 1 1 48 48 ARG HA H 706 4.640 4.640 4.457 0.183 18183 249 1 . 1 1 48 48 ARG C C 706 175.645 175.645 175.234 0.411 18183 250 1 . 1 1 48 48 ARG H H 706 8.163 8.163 8.266 -0.103 18183 251 1 . 1 1 49 49 PHE N N 707 113.719 113.719 117.062 -3.343 18183 252 1 . 1 1 49 49 PHE HA H 707 5.784 5.784 4.804 0.980 18183 253 1 . 1 1 49 49 PHE C C 707 174.536 174.536 173.950 0.586 18183 254 1 . 1 1 49 49 PHE H H 707 8.370 8.370 7.683 0.687 18183 255 1 . 1 1 50 50 ALA N N 708 119.650 119.650 122.585 -2.935 18183 256 1 . 1 1 50 50 ALA HA H 708 5.120 5.120 5.135 -0.015 18183 257 1 . 1 1 50 50 ALA C C 708 175.964 175.964 175.201 0.763 18183 258 1 . 1 1 50 50 ALA CA C 708 51.013 51.013 50.766 0.247 18183 259 1 . 1 1 50 50 ALA CB C 708 21.880 21.880 22.755 -0.875 18183 260 1 . 1 1 50 50 ALA H H 708 8.868 8.868 8.611 0.257 18183 261 1 . 1 1 51 51 ILE N N 709 121.077 121.077 121.202 -0.125 18183 262 1 . 1 1 51 51 ILE HA H 709 4.647 4.647 4.617 0.030 18183 263 1 . 1 1 51 51 ILE C C 709 175.049 175.049 174.868 0.181 18183 264 1 . 1 1 51 51 ILE CA C 709 60.499 60.499 60.350 0.149 18183 265 1 . 1 1 51 51 ILE CB C 709 39.996 39.996 40.472 -0.476 18183 266 1 . 1 1 51 51 ILE H H 709 9.130 9.130 8.677 0.453 18183 267 1 . 1 1 52 52 SER N N 710 125.122 125.122 121.814 3.308 18183 268 1 . 1 1 52 52 SER HA H 710 5.454 5.454 5.241 0.213 18183 269 1 . 1 1 52 52 SER C C 710 172.024 172.024 172.969 -0.945 18183 270 1 . 1 1 52 52 SER CA C 710 57.614 57.614 57.097 0.517 18183 271 1 . 1 1 52 52 SER CB C 710 64.989 64.989 64.680 0.309 18183 272 1 . 1 1 52 52 SER H H 710 9.204 9.204 8.656 0.548 18183 273 1 . 1 1 53 53 ILE N N 711 121.512 121.512 124.464 -2.952 18183 274 1 . 1 1 53 53 ILE HA H 711 5.139 5.139 4.982 0.157 18183 275 1 . 1 1 53 53 ILE C C 711 173.093 173.093 173.401 -0.308 18183 276 1 . 1 1 53 53 ILE CA C 711 57.633 57.633 59.050 -1.417 18183 277 1 . 1 1 53 53 ILE CB C 711 42.823 42.823 42.993 -0.170 18183 278 1 . 1 1 53 53 ILE H H 711 8.825 8.825 8.314 0.511 18183 279 1 . 1 1 54 54 LYS N N 712 128.814 128.814 124.980 3.834 18183 280 1 . 1 1 54 54 LYS HA H 712 4.755 4.755 5.075 -0.320 18183 281 1 . 1 1 54 54 LYS C C 712 174.850 174.850 174.825 0.025 18183 282 1 . 1 1 54 54 LYS CA C 712 54.245 54.245 54.593 -0.348 18183 283 1 . 1 1 54 54 LYS CB C 712 33.334 33.334 33.847 -0.513 18183 284 1 . 1 1 54 54 LYS H H 712 8.863 8.863 8.650 0.213 18183 285 1 . 1 1 55 55 PHE N N 713 130.119 130.119 125.519 4.600 18183 286 1 . 1 1 55 55 PHE HA H 713 4.868 4.868 4.724 0.144 18183 287 1 . 1 1 55 55 PHE C C 713 174.223 174.223 174.184 0.039 18183 288 1 . 1 1 55 55 PHE CA C 713 58.149 58.149 57.524 0.625 18183 289 1 . 1 1 55 55 PHE CB C 713 41.602 41.602 43.377 -1.775 18183 290 1 . 1 1 55 55 PHE H H 713 9.373 9.373 8.606 0.766 18183 291 1 . 1 1 56 56 ASN N N 714 125.766 125.766 123.243 2.523 18183 292 1 . 1 1 56 56 ASN HA H 714 3.898 3.898 4.158 -0.260 18183 293 1 . 1 1 56 56 ASN C C 714 173.945 173.945 174.231 -0.286 18183 294 1 . 1 1 56 56 ASN CA C 714 55.006 55.006 54.045 0.961 18183 295 1 . 1 1 56 56 ASN CB C 714 35.962 35.962 37.703 -1.741 18183 296 1 . 1 1 56 56 ASN H H 714 8.364 8.364 8.420 -0.056 18183 297 1 . 1 1 57 57 ASP N N 715 117.708 117.708 113.792 3.916 18183 298 1 . 1 1 57 57 ASP HA H 715 4.551 4.551 4.235 0.316 18183 299 1 . 1 1 57 57 ASP C C 715 174.766 174.766 174.871 -0.105 18183 300 1 . 1 1 57 57 ASP CA C 715 55.045 55.045 55.829 -0.784 18183 301 1 . 1 1 57 57 ASP CB C 715 40.577 40.577 40.210 0.367 18183 302 1 . 1 1 57 57 ASP H H 715 8.536 8.536 8.550 -0.014 18183 303 1 . 1 1 58 58 GLU N N 716 118.715 118.715 116.344 2.371 18183 304 1 . 1 1 58 58 GLU HA H 716 4.665 4.665 4.615 0.050 18183 305 1 . 1 1 58 58 GLU C C 716 173.786 173.786 174.484 -0.698 18183 306 1 . 1 1 58 58 GLU CA C 716 54.942 54.942 55.070 -0.128 18183 307 1 . 1 1 58 58 GLU CB C 716 34.163 34.163 34.176 -0.013 18183 308 1 . 1 1 58 58 GLU H H 716 7.873 7.873 7.689 0.184 18183 309 1 . 1 1 59 59 VAL N N 717 120.798 120.798 123.036 -2.238 18183 310 1 . 1 1 59 59 VAL HA H 717 4.373 4.373 4.483 -0.110 18183 311 1 . 1 1 59 59 VAL C C 717 175.325 175.325 175.710 -0.385 18183 312 1 . 1 1 59 59 VAL CA C 717 61.939 61.939 61.617 0.322 18183 313 1 . 1 1 59 59 VAL CB C 717 32.017 32.017 31.573 0.444 18183 314 1 . 1 1 59 59 VAL H H 717 8.473 8.473 8.574 -0.101 18183 315 1 . 1 1 60 60 LYS N N 718 127.136 127.136 127.213 -0.077 18183 316 1 . 1 1 60 60 LYS HA H 718 4.431 4.431 4.461 -0.030 18183 317 1 . 1 1 60 60 LYS C C 718 174.439 174.439 175.044 -0.605 18183 318 1 . 1 1 60 60 LYS CA C 718 52.809 52.809 54.567 -1.758 18183 319 1 . 1 1 60 60 LYS CB C 718 33.105 33.105 34.289 -1.184 18183 320 1 . 1 1 60 60 LYS H H 718 8.903 8.903 8.373 0.530 18183 321 1 . 1 1 61 61 HIS N N 719 119.956 119.956 120.543 -0.587 18183 322 1 . 1 1 61 61 HIS HA H 719 5.223 5.223 4.925 0.298 18183 323 1 . 1 1 61 61 HIS C C 719 175.173 175.173 174.588 0.585 18183 324 1 . 1 1 61 61 HIS CA C 719 55.160 55.160 54.969 0.191 18183 325 1 . 1 1 61 61 HIS CB C 719 32.882 32.882 30.181 2.701 18183 326 1 . 1 1 61 61 HIS H H 719 8.422 8.422 8.518 -0.096 18183 327 1 . 1 1 62 62 ILE N N 720 126.629 126.629 124.668 1.961 18183 328 1 . 1 1 62 62 ILE HA H 720 4.136 4.136 4.205 -0.069 18183 329 1 . 1 1 62 62 ILE C C 720 175.372 175.372 175.420 -0.048 18183 330 1 . 1 1 62 62 ILE CA C 720 59.976 59.976 60.921 -0.945 18183 331 1 . 1 1 62 62 ILE CB C 720 41.028 41.028 39.007 2.021 18183 332 1 . 1 1 62 62 ILE H H 720 9.646 9.646 8.563 1.083 18183 333 1 . 1 1 63 63 LYS N N 721 127.276 127.276 125.846 1.430 18183 334 1 . 1 1 63 63 LYS HA H 721 4.227 4.227 4.639 -0.412 18183 335 1 . 1 1 63 63 LYS C C 721 174.877 174.877 175.637 -0.760 18183 336 1 . 1 1 63 63 LYS CA C 721 57.540 57.540 55.646 1.894 18183 337 1 . 1 1 63 63 LYS CB C 721 33.049 33.049 33.741 -0.692 18183 338 1 . 1 1 63 63 LYS H H 721 8.741 8.741 8.487 0.254 18183 339 1 . 1 1 64 64 VAL N N 722 123.343 123.343 123.627 -0.284 18183 340 1 . 1 1 64 64 VAL HA H 722 4.173 4.173 4.339 -0.166 18183 341 1 . 1 1 64 64 VAL C C 722 174.522 174.522 174.591 -0.069 18183 342 1 . 1 1 64 64 VAL CA C 722 61.495 61.495 61.212 0.283 18183 343 1 . 1 1 64 64 VAL CB C 722 30.392 30.392 33.576 -3.184 18183 344 1 . 1 1 64 64 VAL H H 722 8.166 8.166 8.300 -0.134 18183 345 1 . 1 1 65 65 VAL N N 723 127.934 127.934 125.235 2.699 18183 346 1 . 1 1 65 65 VAL HA H 723 4.146 4.146 4.426 -0.280 18183 347 1 . 1 1 65 65 VAL C C 723 174.212 174.212 174.601 -0.389 18183 348 1 . 1 1 65 65 VAL CA C 723 61.751 61.751 60.754 0.997 18183 349 1 . 1 1 65 65 VAL CB C 723 33.279 33.279 33.958 -0.679 18183 350 1 . 1 1 65 65 VAL H H 723 8.469 8.469 8.063 0.406 18183 351 1 . 1 1 66 66 GLU N N 724 125.632 125.632 127.766 -2.134 18183 352 1 . 1 1 66 66 GLU HA H 724 5.156 5.156 5.141 0.015 18183 353 1 . 1 1 66 66 GLU C C 724 175.573 175.573 175.450 0.123 18183 354 1 . 1 1 66 66 GLU CA C 724 54.557 54.557 55.184 -0.627 18183 355 1 . 1 1 66 66 GLU CB C 724 32.441 32.441 31.399 1.042 18183 356 1 . 1 1 66 66 GLU H H 724 8.518 8.518 8.702 -0.184 18183 357 1 . 1 1 67 67 LYS N N 725 125.857 125.857 124.805 1.052 18183 358 1 . 1 1 67 67 LYS HA H 725 4.452 4.452 4.548 -0.096 18183 359 1 . 1 1 67 67 LYS C C 725 175.624 175.624 175.712 -0.088 18183 360 1 . 1 1 67 67 LYS CA C 725 56.254 56.254 56.055 0.199 18183 361 1 . 1 1 67 67 LYS CB C 725 35.041 35.041 35.163 -0.122 18183 362 1 . 1 1 67 67 LYS H H 725 8.671 8.671 8.772 -0.101 18183 363 1 . 1 1 68 68 ASP N N 726 127.302 127.302 121.545 5.757 18183 364 1 . 1 1 68 68 ASP HA H 726 4.191 4.191 4.406 -0.215 18183 365 1 . 1 1 68 68 ASP C C 726 174.291 174.291 175.763 -1.472 18183 366 1 . 1 1 68 68 ASP CA C 726 56.022 56.022 55.788 0.234 18183 367 1 . 1 1 68 68 ASP CB C 726 39.391 39.391 39.915 -0.524 18183 368 1 . 1 1 68 68 ASP H H 726 9.485 9.485 8.940 0.545 18183 369 1 . 1 1 69 69 ASN N N 727 110.250 110.250 112.755 -2.505 18183 370 1 . 1 1 69 69 ASN HA H 727 4.223 4.223 4.423 -0.200 18183 371 1 . 1 1 69 69 ASN C C 727 173.825 173.825 173.558 0.267 18183 372 1 . 1 1 69 69 ASN CA C 727 54.672 54.672 54.441 0.231 18183 373 1 . 1 1 69 69 ASN CB C 727 37.344 37.344 38.112 -0.768 18183 374 1 . 1 1 69 69 ASN H H 727 8.344 8.344 8.685 -0.341 18183 375 1 . 1 1 70 70 TRP N N 728 119.098 119.098 116.326 2.772 18183 376 1 . 1 1 70 70 TRP HA H 728 5.316 5.316 5.073 0.243 18183 377 1 . 1 1 70 70 TRP C C 728 174.989 174.989 174.687 0.302 18183 378 1 . 1 1 70 70 TRP CA C 728 56.712 56.712 56.480 0.232 18183 379 1 . 1 1 70 70 TRP CB C 728 33.343 33.343 32.646 0.697 18183 380 1 . 1 1 70 70 TRP H H 728 8.050 8.050 7.768 0.282 18183 381 1 . 1 1 71 71 ILE N N 729 121.706 121.706 120.707 0.999 18183 382 1 . 1 1 71 71 ILE HA H 729 5.512 5.512 5.221 0.291 18183 383 1 . 1 1 71 71 ILE C C 729 175.265 175.265 173.819 1.446 18183 384 1 . 1 1 71 71 ILE CA C 729 58.794 58.794 59.752 -0.958 18183 385 1 . 1 1 71 71 ILE CB C 729 41.091 41.091 41.492 -0.402 18183 386 1 . 1 1 71 71 ILE H H 729 9.298 9.298 9.288 0.010 18183 387 1 . 1 1 72 72 HIS N N 730 121.063 121.063 124.141 -3.078 18183 388 1 . 1 1 72 72 HIS HA H 730 5.151 5.151 5.189 -0.038 18183 389 1 . 1 1 72 72 HIS C C 730 173.774 173.774 174.427 -0.653 18183 390 1 . 1 1 72 72 HIS CA C 730 56.519 56.519 55.369 1.150 18183 391 1 . 1 1 72 72 HIS CB C 730 32.509 32.509 31.981 0.528 18183 392 1 . 1 1 72 72 HIS H H 730 9.024 9.024 8.653 0.371 18183 393 1 . 1 1 73 73 ILE N N 731 112.363 112.363 116.927 -4.564 18183 394 1 . 1 1 73 73 ILE HA H 731 4.896 4.896 4.459 0.437 18183 395 1 . 1 1 73 73 ILE CA C 731 62.302 62.302 62.253 0.049 18183 396 1 . 1 1 73 73 ILE CB C 731 39.387 39.387 38.731 0.656 18183 397 1 . 1 1 73 73 ILE H H 731 9.425 9.425 8.814 0.611 18183 398 1 . 1 1 74 74 THR N N 732 117.292 117.292 113.146 4.146 18183 399 1 . 1 1 74 74 THR HA H 732 4.679 4.679 4.462 0.217 18183 400 1 . 1 1 74 74 THR C C 732 173.467 173.467 173.644 -0.177 18183 401 1 . 1 1 74 74 THR CA C 732 59.795 59.795 60.531 -0.736 18183 402 1 . 1 1 74 74 THR CB C 732 69.896 69.896 71.001 -1.105 18183 403 1 . 1 1 74 74 THR H H 732 8.421 8.421 7.574 0.847 18183 404 1 . 1 1 75 75 GLU N N 733 123.689 123.689 120.953 2.736 18183 405 1 . 1 1 75 75 GLU HA H 733 2.974 2.974 4.390 -1.416 18183 406 1 . 1 1 75 75 GLU C C 733 175.819 175.819 175.987 -0.168 18183 407 1 . 1 1 75 75 GLU CA C 733 58.898 58.898 56.817 2.081 18183 408 1 . 1 1 75 75 GLU CB C 733 28.991 28.991 29.238 -0.247 18183 409 1 . 1 1 75 75 GLU H H 733 8.615 8.615 8.676 -0.061 18183 410 1 . 1 1 76 76 ALA N N 734 117.705 117.705 121.994 -4.289 18183 411 1 . 1 1 76 76 ALA HA H 734 3.912 3.912 4.325 -0.413 18183 412 1 . 1 1 76 76 ALA C C 734 177.024 177.024 177.235 -0.211 18183 413 1 . 1 1 76 76 ALA CA C 734 53.262 53.262 52.824 0.438 18183 414 1 . 1 1 76 76 ALA CB C 734 19.797 19.797 19.957 -0.160 18183 415 1 . 1 1 76 76 ALA H H 734 7.654 7.654 8.061 -0.407 18183 416 1 . 1 1 77 77 LYS N N 735 119.239 119.239 119.017 0.222 18183 417 1 . 1 1 77 77 LYS HA H 735 4.091 4.091 4.259 -0.168 18183 418 1 . 1 1 77 77 LYS C C 735 172.048 172.048 174.222 -2.174 18183 419 1 . 1 1 77 77 LYS CA C 735 54.373 54.373 55.661 -1.288 18183 420 1 . 1 1 77 77 LYS CB C 735 33.343 33.343 34.460 -1.117 18183 421 1 . 1 1 77 77 LYS H H 735 7.214 7.214 7.932 -0.718 18183 422 1 . 1 1 78 78 LYS N N 736 123.194 123.194 122.902 0.292 18183 423 1 . 1 1 78 78 LYS HA H 736 4.737 4.737 4.473 0.264 18183 424 1 . 1 1 78 78 LYS C C 736 174.901 174.901 175.542 -0.641 18183 425 1 . 1 1 78 78 LYS CA C 736 54.703 54.703 55.461 -0.758 18183 426 1 . 1 1 78 78 LYS CB C 736 35.093 35.093 33.453 1.640 18183 427 1 . 1 1 78 78 LYS H H 736 7.850 7.850 7.920 -0.070 18183 428 1 . 1 1 79 79 PHE N N 737 117.645 117.645 121.114 -3.469 18183 429 1 . 1 1 79 79 PHE HA H 737 4.926 4.926 4.868 0.058 18183 430 1 . 1 1 79 79 PHE C C 737 175.500 175.500 175.419 0.081 18183 431 1 . 1 1 79 79 PHE CA C 737 56.913 56.913 57.313 -0.401 18183 432 1 . 1 1 79 79 PHE CB C 737 43.468 43.468 42.727 0.742 18183 433 1 . 1 1 79 79 PHE H H 737 9.079 9.079 8.781 0.298 18183 434 1 . 1 1 80 80 ASP N N 738 119.264 119.264 121.003 -1.739 18183 435 1 . 1 1 80 80 ASP HA H 738 4.717 4.717 3.889 0.828 18183 436 1 . 1 1 80 80 ASP C C 738 176.014 176.014 176.370 -0.356 18183 437 1 . 1 1 80 80 ASP CA C 738 55.645 55.645 56.176 -0.531 18183 438 1 . 1 1 80 80 ASP CB C 738 41.720 41.720 41.399 0.321 18183 439 1 . 1 1 80 80 ASP H H 738 9.332 9.332 8.781 0.551 18183 440 1 . 1 1 81 81 SER N N 739 108.541 108.541 112.018 -3.477 18183 441 1 . 1 1 81 81 SER HA H 739 4.649 4.649 4.700 -0.052 18183 442 1 . 1 1 81 81 SER C C 739 173.719 173.719 174.579 -0.860 18183 443 1 . 1 1 81 81 SER CA C 739 57.148 57.148 56.757 0.391 18183 444 1 . 1 1 81 81 SER CB C 739 66.475 66.475 66.091 0.384 18183 445 1 . 1 1 81 81 SER H H 739 7.379 7.379 7.727 -0.348 18183 446 1 . 1 1 82 82 LEU N N 740 122.926 122.926 124.124 -1.198 18183 447 1 . 1 1 82 82 LEU HA H 740 3.756 3.756 3.957 -0.201 18183 448 1 . 1 1 82 82 LEU C C 740 177.267 177.267 177.890 -0.623 18183 449 1 . 1 1 82 82 LEU CA C 740 57.834 57.834 57.978 -0.144 18183 450 1 . 1 1 82 82 LEU CB C 740 40.583 40.583 41.726 -1.143 18183 451 1 . 1 1 82 82 LEU H H 740 8.939 8.939 8.683 0.256 18183 452 1 . 1 1 83 83 LEU N N 741 116.722 116.722 117.858 -1.136 18183 453 1 . 1 1 83 83 LEU HA H 741 3.775 3.775 3.939 -0.164 18183 454 1 . 1 1 83 83 LEU C C 741 177.528 177.528 178.306 -0.778 18183 455 1 . 1 1 83 83 LEU CA C 741 58.139 58.139 58.285 -0.146 18183 456 1 . 1 1 83 83 LEU CB C 741 41.677 41.677 41.240 0.437 18183 457 1 . 1 1 83 83 LEU H H 741 7.814 7.814 7.854 -0.040 18183 458 1 . 1 1 84 84 GLU N N 742 116.747 116.747 119.402 -2.655 18183 459 1 . 1 1 84 84 GLU HA H 742 3.867 3.867 3.988 -0.121 18183 460 1 . 1 1 84 84 GLU C C 742 178.282 178.282 178.769 -0.487 18183 461 1 . 1 1 84 84 GLU CA C 742 59.139 59.139 59.456 -0.317 18183 462 1 . 1 1 84 84 GLU CB C 742 30.433 30.433 29.371 1.062 18183 463 1 . 1 1 84 84 GLU H H 742 7.541 7.541 7.723 -0.182 18183 464 1 . 1 1 85 85 LEU N N 743 122.157 122.157 120.532 1.625 18183 465 1 . 1 1 85 85 LEU HA H 743 1.963 1.963 2.263 -0.300 18183 466 1 . 1 1 85 85 LEU C C 743 177.315 177.315 178.267 -0.952 18183 467 1 . 1 1 85 85 LEU CA C 743 58.739 58.739 57.500 1.239 18183 468 1 . 1 1 85 85 LEU CB C 743 41.715 41.715 41.642 0.073 18183 469 1 . 1 1 85 85 LEU H H 743 7.076 7.076 7.265 -0.189 18183 470 1 . 1 1 86 86 VAL N N 744 119.754 119.754 118.265 1.489 18183 471 1 . 1 1 86 86 VAL HA H 744 2.790 2.790 3.406 -0.616 18183 472 1 . 1 1 86 86 VAL C C 744 177.621 177.621 178.218 -0.597 18183 473 1 . 1 1 86 86 VAL CA C 744 66.844 66.844 66.300 0.544 18183 474 1 . 1 1 86 86 VAL CB C 744 30.965 30.965 30.769 0.196 18183 475 1 . 1 1 86 86 VAL H H 744 8.116 8.116 7.637 0.479 18183 476 1 . 1 1 87 87 GLU N N 745 116.169 116.169 119.339 -3.170 18183 477 1 . 1 1 87 87 GLU HA H 745 3.715 3.715 3.925 -0.210 18183 478 1 . 1 1 87 87 GLU C C 745 179.560 179.560 179.026 0.534 18183 479 1 . 1 1 87 87 GLU CA C 745 59.322 59.322 59.476 -0.154 18183 480 1 . 1 1 87 87 GLU CB C 745 29.086 29.086 29.483 -0.397 18183 481 1 . 1 1 87 87 GLU H H 745 8.168 8.168 7.935 0.233 18183 482 1 . 1 1 88 88 TYR N N 746 120.022 120.022 120.480 -0.458 18183 483 1 . 1 1 88 88 TYR HA H 746 4.093 4.093 4.137 -0.044 18183 484 1 . 1 1 88 88 TYR C C 746 180.010 180.010 177.973 2.037 18183 485 1 . 1 1 88 88 TYR CA C 746 62.594 62.594 61.776 0.818 18183 486 1 . 1 1 88 88 TYR CB C 746 38.828 38.828 38.882 -0.054 18183 487 1 . 1 1 88 88 TYR H H 746 7.774 7.774 7.768 0.006 18183 488 1 . 1 1 89 89 TYR N N 747 118.480 118.480 117.421 1.059 18183 489 1 . 1 1 89 89 TYR HA H 747 5.055 5.055 4.568 0.487 18183 490 1 . 1 1 89 89 TYR C C 747 175.796 175.796 178.022 -2.226 18183 491 1 . 1 1 89 89 TYR CA C 747 61.137 61.137 59.770 1.367 18183 492 1 . 1 1 89 89 TYR CB C 747 36.930 36.930 37.786 -0.856 18183 493 1 . 1 1 89 89 TYR H H 747 7.782 7.782 8.028 -0.246 18183 494 1 . 1 1 90 90 GLN N N 748 118.696 118.696 118.284 0.412 18183 495 1 . 1 1 90 90 GLN HA H 748 4.389 4.389 3.708 0.681 18183 496 1 . 1 1 90 90 GLN C C 748 177.777 177.777 176.758 1.019 18183 497 1 . 1 1 90 90 GLN CA C 748 57.717 57.717 58.787 -1.070 18183 498 1 . 1 1 90 90 GLN CB C 748 28.520 28.520 28.474 0.046 18183 499 1 . 1 1 90 90 GLN H H 748 7.838 7.838 7.991 -0.153 18183 500 1 . 1 1 91 91 CYS N N 749 111.118 111.118 114.443 -3.325 18183 501 1 . 1 1 91 91 CYS HA H 749 4.602 4.602 4.394 0.208 18183 502 1 . 1 1 91 91 CYS C C 749 172.887 172.887 174.347 -1.460 18183 503 1 . 1 1 91 91 CYS CA C 749 57.434 57.434 58.485 -1.051 18183 504 1 . 1 1 91 91 CYS CB C 749 29.266 29.266 28.490 0.776 18183 505 1 . 1 1 91 91 CYS H H 749 7.145 7.145 7.475 -0.330 18183 506 1 . 1 1 92 92 HIS N N 750 120.227 120.227 119.470 0.756 18183 507 1 . 1 1 92 92 HIS HA H 750 4.332 4.332 4.600 -0.268 18183 508 1 . 1 1 92 92 HIS C C 750 171.842 171.842 174.115 -2.273 18183 509 1 . 1 1 92 92 HIS CA C 750 55.077 55.077 54.890 0.187 18183 510 1 . 1 1 92 92 HIS CB C 750 29.376 29.376 31.929 -2.553 18183 511 1 . 1 1 92 92 HIS H H 750 7.470 7.470 7.751 -0.281 18183 512 1 . 1 1 93 93 SER N N 751 113.120 113.120 117.429 -4.309 18183 513 1 . 1 1 93 93 SER HA H 751 3.782 3.782 4.360 -0.578 18183 514 1 . 1 1 93 93 SER C C 751 176.653 176.653 175.273 1.380 18183 515 1 . 1 1 93 93 SER CA C 751 57.812 57.812 58.971 -1.159 18183 516 1 . 1 1 93 93 SER CB C 751 62.783 62.783 63.985 -1.202 18183 517 1 . 1 1 93 93 SER H H 751 8.404 8.404 8.644 -0.240 18183 518 1 . 1 1 94 94 LEU N N 752 127.293 127.293 122.682 4.611 18183 519 1 . 1 1 94 94 LEU HA H 752 4.069 4.069 4.738 -0.669 18183 520 1 . 1 1 94 94 LEU C C 752 177.524 177.524 177.330 0.194 18183 521 1 . 1 1 94 94 LEU CA C 752 57.396 57.396 54.994 2.403 18183 522 1 . 1 1 94 94 LEU CB C 752 42.487 42.487 41.116 1.371 18183 523 1 . 1 1 94 94 LEU H H 752 8.553 8.553 8.455 0.098 18183 524 1 . 1 1 95 95 LYS N N 753 122.249 122.249 118.974 3.275 18183 525 1 . 1 1 95 95 LYS HA H 753 4.328 4.328 4.437 -0.109 18183 526 1 . 1 1 95 95 LYS C C 753 176.426 176.426 177.966 -1.540 18183 527 1 . 1 1 95 95 LYS CA C 753 57.554 57.554 58.347 -0.793 18183 528 1 . 1 1 95 95 LYS CB C 753 32.174 32.174 31.580 0.594 18183 529 1 . 1 1 95 95 LYS H H 753 8.303 8.303 8.150 0.153 18183 530 1 . 1 1 96 96 GLU N N 754 115.401 115.401 118.935 -3.534 18183 531 1 . 1 1 96 96 GLU HA H 754 4.085 4.085 4.108 -0.023 18183 532 1 . 1 1 96 96 GLU C C 754 176.838 176.838 177.707 -0.869 18183 533 1 . 1 1 96 96 GLU CA C 754 58.097 58.097 58.704 -0.607 18183 534 1 . 1 1 96 96 GLU CB C 754 29.500 29.500 29.470 0.030 18183 535 1 . 1 1 96 96 GLU H H 754 7.188 7.188 8.396 -1.208 18183 536 1 . 1 1 97 97 SER N N 755 113.852 113.852 113.123 0.729 18183 537 1 . 1 1 97 97 SER HA H 755 4.402 4.402 4.456 -0.054 18183 538 1 . 1 1 97 97 SER C C 755 172.067 172.067 174.360 -2.293 18183 539 1 . 1 1 97 97 SER CA C 755 59.448 59.448 59.905 -0.457 18183 540 1 . 1 1 97 97 SER CB C 755 65.680 65.680 64.794 0.886 18183 541 1 . 1 1 97 97 SER H H 755 7.838 7.838 7.792 0.046 18183 542 1 . 1 1 98 98 PHE N N 756 121.742 121.742 121.830 -0.088 18183 543 1 . 1 1 98 98 PHE HA H 756 4.570 4.570 4.766 -0.196 18183 544 1 . 1 1 98 98 PHE C C 756 174.941 174.941 175.622 -0.681 18183 545 1 . 1 1 98 98 PHE CA C 756 56.748 56.748 56.548 0.200 18183 546 1 . 1 1 98 98 PHE CB C 756 40.281 40.281 39.773 0.508 18183 547 1 . 1 1 98 98 PHE H H 756 8.223 8.223 8.584 -0.361 18183 548 1 . 1 1 99 99 LYS N N 757 122.713 122.713 125.154 -2.441 18183 549 1 . 1 1 99 99 LYS HA H 757 4.071 4.071 4.100 -0.029 18183 550 1 . 1 1 99 99 LYS C C 757 176.793 176.793 177.289 -0.496 18183 551 1 . 1 1 99 99 LYS CA C 757 59.157 59.157 59.201 -0.044 18183 552 1 . 1 1 99 99 LYS CB C 757 32.333 32.333 32.303 0.030 18183 553 1 . 1 1 99 99 LYS H H 757 8.388 8.388 8.657 -0.269 18183 554 1 . 1 1 100 100 GLN N N 758 114.972 114.972 116.625 -1.653 18183 555 1 . 1 1 100 100 GLN HA H 758 4.161 4.161 4.334 -0.173 18183 556 1 . 1 1 100 100 GLN C C 758 175.591 175.591 175.949 -0.358 18183 557 1 . 1 1 100 100 GLN CA C 758 56.469 56.469 56.465 0.004 18183 558 1 . 1 1 100 100 GLN CB C 758 27.987 27.987 28.710 -0.723 18183 559 1 . 1 1 100 100 GLN H H 758 8.662 8.662 8.261 0.401 18183 560 1 . 1 1 101 101 LEU N N 759 124.472 124.472 121.689 2.783 18183 561 1 . 1 1 101 101 LEU HA H 759 3.679 3.679 4.604 -0.925 18183 562 1 . 1 1 101 101 LEU C C 759 173.228 173.228 174.768 -1.540 18183 563 1 . 1 1 101 101 LEU CA C 759 52.325 52.325 54.493 -2.168 18183 564 1 . 1 1 101 101 LEU CB C 759 41.512 41.512 43.068 -1.556 18183 565 1 . 1 1 101 101 LEU H H 759 7.884 7.884 7.643 0.241 18183 566 1 . 1 1 102 102 ASP N N 760 119.321 119.321 123.779 -4.458 18183 567 1 . 1 1 102 102 ASP HA H 760 4.485 4.485 4.753 -0.268 18183 568 1 . 1 1 102 102 ASP C C 760 173.467 173.467 175.016 -1.549 18183 569 1 . 1 1 102 102 ASP CA C 760 52.125 52.125 53.556 -1.431 18183 570 1 . 1 1 102 102 ASP CB C 760 39.028 39.028 40.582 -1.554 18183 571 1 . 1 1 102 102 ASP H H 760 6.594 6.594 8.373 -1.779 18183 572 1 . 1 1 103 103 THR N N 761 117.213 117.213 115.368 1.845 18183 573 1 . 1 1 103 103 THR HA H 761 4.643 4.643 4.291 0.352 18183 574 1 . 1 1 103 103 THR C C 761 172.158 172.158 172.903 -0.746 18183 575 1 . 1 1 103 103 THR CA C 761 60.197 60.197 60.222 -0.025 18183 576 1 . 1 1 103 103 THR CB C 761 69.046 69.046 69.699 -0.653 18183 577 1 . 1 1 103 103 THR H H 761 7.637 7.637 7.490 0.147 18183 578 1 . 1 1 104 104 THR N N 762 114.193 114.193 115.233 -1.040 18183 579 1 . 1 1 104 104 THR HA H 762 4.569 4.569 4.337 0.232 18183 580 1 . 1 1 104 104 THR C C 762 175.698 175.698 173.866 1.832 18183 581 1 . 1 1 104 104 THR CA C 762 60.808 60.808 59.835 0.973 18183 582 1 . 1 1 104 104 THR CB C 762 70.636 70.636 71.156 -0.520 18183 583 1 . 1 1 104 104 THR H H 762 7.284 7.284 7.958 -0.674 18183 584 1 . 1 1 105 105 LEU N N 763 117.473 117.473 122.116 -4.643 18183 585 1 . 1 1 105 105 LEU HA H 763 3.463 3.463 3.801 -0.338 18183 586 1 . 1 1 105 105 LEU C C 763 174.348 174.348 176.580 -2.232 18183 587 1 . 1 1 105 105 LEU CA C 763 53.982 53.982 55.065 -1.083 18183 588 1 . 1 1 105 105 LEU CB C 763 35.683 35.683 39.649 -3.966 18183 589 1 . 1 1 105 105 LEU H H 763 8.093 8.093 8.192 -0.099 18183 590 1 . 1 1 106 106 LYS N N 764 127.491 127.491 123.746 3.745 18183 591 1 . 1 1 106 106 LYS HA H 764 3.958 3.958 4.082 -0.124 18183 592 1 . 1 1 106 106 LYS C C 764 176.734 176.734 176.346 0.388 18183 593 1 . 1 1 106 106 LYS CA C 764 59.696 59.696 57.567 2.129 18183 594 1 . 1 1 106 106 LYS CB C 764 35.167 35.167 33.719 1.448 18183 595 1 . 1 1 106 106 LYS H H 764 7.118 7.118 8.024 -0.906 18183 596 1 . 1 1 107 107 TYR N N 765 115.804 115.804 116.603 -0.799 18183 597 1 . 1 1 107 107 TYR HA H 765 5.464 5.464 4.936 0.528 18183 598 1 . 1 1 107 107 TYR C C 765 172.048 172.048 172.729 -0.681 18183 599 1 . 1 1 107 107 TYR CA C 765 52.519 52.519 55.103 -2.584 18183 600 1 . 1 1 107 107 TYR CB C 765 40.376 40.376 38.593 1.783 18183 601 1 . 1 1 107 107 TYR H H 765 7.848 7.848 7.798 0.050 18183 602 1 . 1 1 108 108 PRO HA H 766 3.626 3.626 4.181 -0.555 18183 603 1 . 1 1 108 108 PRO C C 766 180.469 180.469 176.520 3.949 18183 604 1 . 1 1 109 109 TYR N N 767 122.791 122.791 116.654 6.137 18183 605 1 . 1 1 109 109 TYR HA H 767 3.784 3.784 4.256 -0.472 18183 606 1 . 1 1 109 109 TYR C C 767 174.575 174.575 176.559 -1.984 18183 607 1 . 1 1 109 109 TYR CA C 767 60.986 60.986 58.786 2.200 18183 608 1 . 1 1 109 109 TYR CB C 767 37.626 37.626 37.717 -0.091 18183 609 1 . 1 1 109 109 TYR H H 767 8.306 8.306 8.311 -0.005 18183 610 1 . 1 1 110 110 LYS N N 768 118.817 118.817 120.126 -1.309 18183 611 1 . 1 1 110 110 LYS HA H 768 3.903 3.903 3.994 -0.091 18183 612 1 . 1 1 110 110 LYS C C 768 176.259 176.259 176.651 -0.392 18183 613 1 . 1 1 110 110 LYS CA C 768 56.595 56.595 57.902 -1.307 18183 614 1 . 1 1 110 110 LYS CB C 768 32.605 32.605 32.534 0.071 18183 615 1 . 1 1 110 110 LYS H H 768 6.785 6.785 8.053 -1.268 18183 616 1 . 1 1 111 111 SER N N 769 114.539 114.539 112.586 1.952 18183 617 1 . 1 1 111 111 SER HA H 769 4.317 4.317 4.522 -0.205 18183 618 1 . 1 1 111 111 SER C C 769 174.092 174.092 173.393 0.699 18183 619 1 . 1 1 111 111 SER CA C 769 58.647 58.647 58.623 0.024 18183 620 1 . 1 1 111 111 SER CB C 769 63.883 63.883 64.245 -0.362 18183 621 1 . 1 1 111 111 SER H H 769 7.765 7.765 8.009 -0.244 18183 622 1 . 1 1 112 112 ARG N N 770 122.458 122.458 122.524 -0.066 18183 623 1 . 1 1 112 112 ARG HA H 770 4.322 4.322 4.423 -0.101 18183 624 1 . 1 1 112 112 ARG C C 770 175.130 175.130 175.215 -0.085 18183 625 1 . 1 1 112 112 ARG CA C 770 55.664 55.664 56.158 -0.494 18183 626 1 . 1 1 112 112 ARG CB C 770 30.880 30.880 30.388 0.491 18183 627 1 . 1 1 112 112 ARG H H 770 8.082 8.082 8.327 -0.246 18183 stop_ save_