data_18466 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18466 _Entry.PDB_ID 2LTB 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 18466 _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 3 3 MET C C 502 175.880 175.880 176.825 -0.945 18466 2 1 1 . 1 1 3 3 MET CA C 502 55.950 55.950 55.999 -0.049 18466 3 1 1 . 1 1 3 3 MET CB C 502 34.203 34.203 33.558 0.645 18466 4 1 1 . 1 1 4 4 GLY N N 503 111.090 111.090 105.485 5.605 18466 5 1 1 . 1 1 4 4 GLY C C 503 174.009 174.009 172.668 1.341 18466 6 1 1 . 1 1 4 4 GLY CA C 503 44.477 44.477 45.414 -0.937 18466 7 1 1 . 1 1 4 4 GLY H H 503 8.375 8.375 7.807 0.568 18466 8 1 1 . 1 1 5 5 THR N N 504 111.543 111.543 114.226 -2.683 18466 9 1 1 . 1 1 5 5 THR HA H 504 4.437 4.437 4.576 -0.139 18466 10 1 1 . 1 1 5 5 THR C C 504 176.361 176.361 176.468 -0.107 18466 11 1 1 . 1 1 5 5 THR CA C 504 61.972 61.972 61.089 0.883 18466 12 1 1 . 1 1 5 5 THR CB C 504 73.041 73.041 70.246 2.795 18466 13 1 1 . 1 1 5 5 THR H H 504 9.227 9.227 7.999 1.228 18466 14 1 1 . 1 1 6 6 VAL N N 505 118.236 118.236 117.532 0.704 18466 15 1 1 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.753 -0.500 18466 16 1 1 . 1 1 6 6 VAL C C 505 177.287 177.287 177.496 -0.209 18466 17 1 1 . 1 1 6 6 VAL CA C 505 67.124 67.124 65.981 1.143 18466 18 1 1 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.289 0.208 18466 19 1 1 . 1 1 6 6 VAL H H 505 9.896 9.896 8.684 1.212 18466 20 1 1 . 1 1 7 7 MET N N 506 114.146 114.146 118.024 -3.878 18466 21 1 1 . 1 1 7 7 MET HA H 506 4.358 4.358 4.115 0.243 18466 22 1 1 . 1 1 7 7 MET C C 506 178.126 178.126 178.357 -0.231 18466 23 1 1 . 1 1 7 7 MET CA C 506 56.050 56.050 57.151 -1.101 18466 24 1 1 . 1 1 7 7 MET CB C 506 30.608 30.608 30.827 -0.219 18466 25 1 1 . 1 1 7 7 MET H H 506 6.970 6.970 8.161 -1.191 18466 26 1 1 . 1 1 8 8 ASP N N 507 120.413 120.413 120.113 0.300 18466 27 1 1 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.456 -0.203 18466 28 1 1 . 1 1 8 8 ASP C C 507 179.824 179.824 178.842 0.982 18466 29 1 1 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.244 0.903 18466 30 1 1 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.925 -0.447 18466 31 1 1 . 1 1 8 8 ASP H H 507 7.433 7.433 7.623 -0.190 18466 32 1 1 . 1 1 9 9 VAL N N 508 121.366 121.366 119.862 1.504 18466 33 1 1 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.698 -0.133 18466 34 1 1 . 1 1 9 9 VAL C C 508 179.112 179.112 178.022 1.090 18466 35 1 1 . 1 1 9 9 VAL CA C 508 66.149 66.149 65.965 0.185 18466 36 1 1 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.984 -0.414 18466 37 1 1 . 1 1 9 9 VAL H H 508 8.157 8.157 7.344 0.813 18466 38 1 1 . 1 1 10 10 LEU N N 509 117.252 117.252 118.335 -1.083 18466 39 1 1 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.412 -0.390 18466 40 1 1 . 1 1 10 10 LEU C C 509 179.092 179.092 178.235 0.857 18466 41 1 1 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.879 -0.535 18466 42 1 1 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.625 0.297 18466 43 1 1 . 1 1 10 10 LEU H H 509 7.859 7.859 8.024 -0.165 18466 44 1 1 . 1 1 11 11 LYS N N 510 114.815 114.815 114.322 0.493 18466 45 1 1 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.316 -0.362 18466 46 1 1 . 1 1 11 11 LYS C C 510 178.026 178.026 177.947 0.079 18466 47 1 1 . 1 1 11 11 LYS CA C 510 59.144 59.144 57.345 1.799 18466 48 1 1 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.478 0.219 18466 49 1 1 . 1 1 11 11 LYS H H 510 8.376 8.376 7.526 0.850 18466 50 1 1 . 1 1 12 12 GLY N N 511 104.635 104.635 107.537 -2.902 18466 51 1 1 . 1 1 12 12 GLY C C 511 172.558 172.558 173.823 -1.265 18466 52 1 1 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.747 0.758 18466 53 1 1 . 1 1 12 12 GLY H H 511 7.593 7.593 7.508 0.085 18466 54 1 1 . 1 1 13 13 ASP N N 512 120.111 120.111 119.349 0.762 18466 55 1 1 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.601 0.394 18466 56 1 1 . 1 1 13 13 ASP CA C 512 52.583 52.583 53.072 -0.489 18466 57 1 1 . 1 1 13 13 ASP CB C 512 43.957 43.957 42.538 1.419 18466 58 1 1 . 1 1 13 13 ASP H H 512 7.065 7.065 7.194 -0.129 18466 59 1 1 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.498 -0.050 18466 60 1 1 . 1 1 14 14 ASN C C 513 176.736 176.736 176.567 0.169 18466 61 1 1 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.575 0.317 18466 62 1 1 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.671 -0.586 18466 63 1 1 . 1 1 15 15 ARG N N 514 118.917 118.917 118.059 0.858 18466 64 1 1 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.494 -0.325 18466 65 1 1 . 1 1 15 15 ARG C C 514 176.145 176.145 177.024 -0.879 18466 66 1 1 . 1 1 15 15 ARG CA C 514 58.062 58.062 57.959 0.103 18466 67 1 1 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.570 0.097 18466 68 1 1 . 1 1 15 15 ARG H H 514 8.581 8.581 8.444 0.137 18466 69 1 1 . 1 1 16 16 PHE N N 515 113.226 113.226 116.276 -3.050 18466 70 1 1 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.779 1.000 18466 71 1 1 . 1 1 16 16 PHE C C 515 176.587 176.587 177.645 -1.058 18466 72 1 1 . 1 1 16 16 PHE CA C 515 56.064 56.064 56.160 -0.096 18466 73 1 1 . 1 1 16 16 PHE CB C 515 38.571 38.571 38.204 0.367 18466 74 1 1 . 1 1 16 16 PHE H H 515 7.600 7.600 7.507 0.093 18466 75 1 1 . 1 1 17 17 SER N N 516 116.620 116.620 116.796 -0.176 18466 76 1 1 . 1 1 17 17 SER HA H 516 4.049 4.049 4.211 -0.162 18466 77 1 1 . 1 1 17 17 SER C C 516 178.564 178.564 176.443 2.121 18466 78 1 1 . 1 1 17 17 SER CA C 516 62.683 62.683 61.825 0.858 18466 79 1 1 . 1 1 17 17 SER CB C 516 62.150 62.150 62.881 -0.731 18466 80 1 1 . 1 1 17 17 SER H H 516 7.532 7.532 7.899 -0.367 18466 81 1 1 . 1 1 18 18 MET N N 517 124.356 124.356 119.481 4.875 18466 82 1 1 . 1 1 18 18 MET HA H 517 3.991 3.991 4.093 -0.102 18466 83 1 1 . 1 1 18 18 MET C C 517 178.066 178.066 177.969 0.097 18466 84 1 1 . 1 1 18 18 MET CA C 517 59.462 59.462 57.837 1.625 18466 85 1 1 . 1 1 18 18 MET CB C 517 31.596 31.596 31.656 -0.060 18466 86 1 1 . 1 1 18 18 MET H H 517 9.291 9.291 7.776 1.515 18466 87 1 1 . 1 1 19 19 LEU N N 518 123.835 123.835 120.738 3.097 18466 88 1 1 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.173 -0.252 18466 89 1 1 . 1 1 19 19 LEU C C 518 178.217 178.217 178.323 -0.106 18466 90 1 1 . 1 1 19 19 LEU CA C 518 58.140 58.140 58.140 -0.000 18466 91 1 1 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.507 -0.175 18466 92 1 1 . 1 1 19 19 LEU H H 518 8.615 8.615 7.634 0.981 18466 93 1 1 . 1 1 20 20 VAL N N 519 118.876 118.876 119.765 -0.889 18466 94 1 1 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.583 -0.278 18466 95 1 1 . 1 1 20 20 VAL C C 519 178.174 178.174 177.853 0.321 18466 96 1 1 . 1 1 20 20 VAL CA C 519 67.850 67.850 67.260 0.590 18466 97 1 1 . 1 1 20 20 VAL CB C 519 31.701 31.701 30.951 0.750 18466 98 1 1 . 1 1 20 20 VAL H H 519 9.059 9.059 8.284 0.775 18466 99 1 1 . 1 1 21 21 ALA N N 520 122.184 122.184 121.575 0.609 18466 100 1 1 . 1 1 21 21 ALA HA H 520 4.156 4.156 4.034 0.122 18466 101 1 1 . 1 1 21 21 ALA C C 520 180.310 180.310 179.298 1.012 18466 102 1 1 . 1 1 21 21 ALA CA C 520 55.066 55.066 55.109 -0.043 18466 103 1 1 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.824 -0.018 18466 104 1 1 . 1 1 21 21 ALA H H 520 7.482 7.482 7.634 -0.152 18466 105 1 1 . 1 1 22 22 ALA N N 521 123.379 123.379 122.252 1.127 18466 106 1 1 . 1 1 22 22 ALA HA H 521 4.102 4.102 4.023 0.079 18466 107 1 1 . 1 1 22 22 ALA C C 521 178.705 178.705 179.584 -0.879 18466 108 1 1 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.928 -0.020 18466 109 1 1 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.322 -0.451 18466 110 1 1 . 1 1 22 22 ALA H H 521 8.286 8.286 7.748 0.538 18466 111 1 1 . 1 1 23 23 ILE N N 522 120.263 120.263 119.061 1.202 18466 112 1 1 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.473 -0.169 18466 113 1 1 . 1 1 23 23 ILE C C 522 178.025 178.025 178.346 -0.321 18466 114 1 1 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.629 0.350 18466 115 1 1 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.685 0.682 18466 116 1 1 . 1 1 23 23 ILE H H 522 8.900 8.900 8.674 0.226 18466 117 1 1 . 1 1 24 24 GLN N N 523 118.959 118.959 118.547 0.412 18466 118 1 1 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.052 0.136 18466 119 1 1 . 1 1 24 24 GLN C C 523 180.253 180.253 179.047 1.206 18466 120 1 1 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.543 0.050 18466 121 1 1 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.712 -1.081 18466 122 1 1 . 1 1 24 24 GLN H H 523 7.898 7.898 8.291 -0.393 18466 123 1 1 . 1 1 25 25 SER N N 524 118.150 118.150 114.980 3.170 18466 124 1 1 . 1 1 25 25 SER HA H 524 4.188 4.188 4.254 -0.066 18466 125 1 1 . 1 1 25 25 SER C C 524 175.635 175.635 175.717 -0.082 18466 126 1 1 . 1 1 25 25 SER CA C 524 61.732 61.732 60.612 1.120 18466 127 1 1 . 1 1 25 25 SER CB C 524 63.140 63.140 63.224 -0.084 18466 128 1 1 . 1 1 25 25 SER H H 524 8.405 8.405 8.088 0.317 18466 129 1 1 . 1 1 26 26 ALA N N 525 119.360 119.360 119.937 -0.577 18466 130 1 1 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.599 -0.232 18466 131 1 1 . 1 1 26 26 ALA C C 525 176.960 176.960 177.472 -0.512 18466 132 1 1 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.681 -0.525 18466 133 1 1 . 1 1 26 26 ALA CB C 525 19.947 19.947 20.153 -0.206 18466 134 1 1 . 1 1 26 26 ALA H H 525 8.277 8.277 7.912 0.365 18466 135 1 1 . 1 1 27 27 GLY N N 526 105.968 105.968 105.860 0.108 18466 136 1 1 . 1 1 27 27 GLY C C 526 176.602 176.602 175.250 1.352 18466 137 1 1 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.060 1.415 18466 138 1 1 . 1 1 27 27 GLY H H 526 7.789 7.789 7.843 -0.054 18466 139 1 1 . 1 1 28 28 LEU N N 527 118.466 118.466 118.609 -0.143 18466 140 1 1 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.584 -0.131 18466 141 1 1 . 1 1 28 28 LEU C C 527 175.805 175.805 178.238 -2.433 18466 142 1 1 . 1 1 28 28 LEU CA C 527 54.816 54.816 54.753 0.063 18466 143 1 1 . 1 1 28 28 LEU CB C 527 45.181 45.181 40.834 4.348 18466 144 1 1 . 1 1 28 28 LEU H H 527 8.088 8.088 8.287 -0.199 18466 145 1 1 . 1 1 29 29 THR N N 528 118.037 118.037 115.505 2.532 18466 146 1 1 . 1 1 29 29 THR HA H 528 3.539 3.539 3.906 -0.367 18466 147 1 1 . 1 1 29 29 THR C C 528 175.526 175.526 175.683 -0.157 18466 148 1 1 . 1 1 29 29 THR CA C 528 66.828 66.828 66.516 0.312 18466 149 1 1 . 1 1 29 29 THR CB C 528 68.754 68.754 68.376 0.378 18466 150 1 1 . 1 1 29 29 THR H H 528 7.593 7.593 7.851 -0.258 18466 151 1 1 . 1 1 30 30 GLU N N 529 117.711 117.711 119.302 -1.591 18466 152 1 1 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.123 -0.151 18466 153 1 1 . 1 1 30 30 GLU C C 529 179.395 179.395 177.705 1.690 18466 154 1 1 . 1 1 30 30 GLU CA C 529 59.788 59.788 58.632 1.156 18466 155 1 1 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.964 -0.506 18466 156 1 1 . 1 1 30 30 GLU H H 529 8.304 8.304 8.433 -0.129 18466 157 1 1 . 1 1 31 31 THR N N 530 116.155 116.155 114.857 1.298 18466 158 1 1 . 1 1 31 31 THR HA H 530 3.756 3.756 4.044 -0.288 18466 159 1 1 . 1 1 31 31 THR C C 530 175.838 175.838 175.967 -0.129 18466 160 1 1 . 1 1 31 31 THR CA C 530 67.156 67.156 65.921 1.235 18466 161 1 1 . 1 1 31 31 THR CB C 530 69.159 69.159 69.189 -0.031 18466 162 1 1 . 1 1 31 31 THR H H 530 7.692 7.692 7.902 -0.210 18466 163 1 1 . 1 1 32 32 LEU N N 531 116.655 116.655 118.964 -2.309 18466 164 1 1 . 1 1 32 32 LEU HA H 531 3.921 3.921 3.963 -0.042 18466 165 1 1 . 1 1 32 32 LEU C C 531 176.177 176.177 177.787 -1.610 18466 166 1 1 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.556 0.997 18466 167 1 1 . 1 1 32 32 LEU CB C 531 41.533 41.533 39.689 1.844 18466 168 1 1 . 1 1 32 32 LEU H H 531 7.103 7.103 7.402 -0.299 18466 169 1 1 . 1 1 33 33 ASN N N 532 118.711 118.711 116.840 1.871 18466 170 1 1 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.551 0.425 18466 171 1 1 . 1 1 33 33 ASN C C 532 174.819 174.819 174.831 -0.012 18466 172 1 1 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.698 -1.577 18466 173 1 1 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.113 1.876 18466 174 1 1 . 1 1 33 33 ASN H H 532 7.735 7.735 7.673 0.062 18466 175 1 1 . 1 1 34 34 ARG N N 533 119.777 119.777 119.583 0.194 18466 176 1 1 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.618 -0.089 18466 177 1 1 . 1 1 34 34 ARG C C 533 175.340 175.340 175.079 0.261 18466 178 1 1 . 1 1 34 34 ARG CA C 533 55.624 55.624 53.815 1.809 18466 179 1 1 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.844 0.961 18466 180 1 1 . 1 1 34 34 ARG H H 533 7.287 7.287 7.332 -0.045 18466 181 1 1 . 1 1 35 35 GLU N N 534 120.198 120.198 120.721 -0.523 18466 182 1 1 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.372 -0.137 18466 183 1 1 . 1 1 35 35 GLU C C 534 176.305 176.305 176.286 0.019 18466 184 1 1 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.546 1.192 18466 185 1 1 . 1 1 35 35 GLU CB C 534 29.694 29.694 30.724 -1.030 18466 186 1 1 . 1 1 35 35 GLU H H 534 8.517 8.517 8.506 0.011 18466 187 1 1 . 1 1 36 36 GLY N N 535 111.018 111.018 108.911 2.107 18466 188 1 1 . 1 1 36 36 GLY C C 535 170.570 170.570 172.290 -1.720 18466 189 1 1 . 1 1 36 36 GLY CA C 535 44.825 44.825 44.864 -0.039 18466 190 1 1 . 1 1 36 36 GLY H H 535 7.955 7.955 8.363 -0.408 18466 191 1 1 . 1 1 37 37 VAL N N 536 114.867 114.867 119.503 -4.636 18466 192 1 1 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.602 -0.474 18466 193 1 1 . 1 1 37 37 VAL C C 536 173.020 173.020 173.637 -0.617 18466 194 1 1 . 1 1 37 37 VAL CA C 536 59.407 59.407 60.406 -0.998 18466 195 1 1 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.619 0.063 18466 196 1 1 . 1 1 37 37 VAL H H 536 7.198 7.198 7.833 -0.635 18466 197 1 1 . 1 1 38 38 TYR N N 537 117.363 117.363 122.187 -4.824 18466 198 1 1 . 1 1 38 38 TYR HA H 537 5.199 5.199 4.966 0.233 18466 199 1 1 . 1 1 38 38 TYR C C 537 176.278 176.278 174.764 1.514 18466 200 1 1 . 1 1 38 38 TYR CA C 537 56.770 56.770 57.218 -0.448 18466 201 1 1 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.934 -0.390 18466 202 1 1 . 1 1 38 38 TYR H H 537 7.507 7.507 8.372 -0.865 18466 203 1 1 . 1 1 39 39 THR N N 538 117.120 117.120 118.858 -1.738 18466 204 1 1 . 1 1 39 39 THR HA H 538 4.781 4.781 4.746 0.035 18466 205 1 1 . 1 1 39 39 THR C C 538 173.406 173.406 173.408 -0.002 18466 206 1 1 . 1 1 39 39 THR CA C 538 62.197 62.197 62.001 0.196 18466 207 1 1 . 1 1 39 39 THR CB C 538 70.922 70.922 69.445 1.477 18466 208 1 1 . 1 1 39 39 THR H H 538 7.906 7.906 8.975 -1.069 18466 209 1 1 . 1 1 40 40 VAL N N 539 126.768 126.768 127.061 -0.293 18466 210 1 1 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.444 0.159 18466 211 1 1 . 1 1 40 40 VAL C C 539 174.038 174.038 174.203 -0.165 18466 212 1 1 . 1 1 40 40 VAL CA C 539 61.168 61.168 61.343 -0.175 18466 213 1 1 . 1 1 40 40 VAL CB C 539 33.995 33.995 33.059 0.936 18466 214 1 1 . 1 1 40 40 VAL H H 539 9.154 9.154 8.911 0.243 18466 215 1 1 . 1 1 41 41 PHE N N 540 128.517 128.517 127.416 1.101 18466 216 1 1 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.119 0.212 18466 217 1 1 . 1 1 41 41 PHE C C 540 173.429 173.429 175.129 -1.700 18466 218 1 1 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.605 1.077 18466 219 1 1 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.864 -1.415 18466 220 1 1 . 1 1 41 41 PHE H H 540 9.087 9.087 8.751 0.336 18466 221 1 1 . 1 1 42 42 ALA N N 541 125.981 125.981 129.710 -3.729 18466 222 1 1 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.696 -0.113 18466 223 1 1 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.059 -0.063 18466 224 1 1 . 1 1 42 42 ALA CB C 541 23.007 23.007 18.963 4.043 18466 225 1 1 . 1 1 42 42 ALA H H 541 8.666 8.666 8.349 0.317 18466 226 1 1 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.326 -0.309 18466 227 1 1 . 1 1 43 43 PRO C C 542 177.809 177.809 177.242 0.567 18466 228 1 1 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.254 -1.175 18466 229 1 1 . 1 1 43 43 PRO CB C 542 31.835 31.835 31.948 -0.113 18466 230 1 1 . 1 1 44 44 THR N N 543 112.053 112.053 115.170 -3.117 18466 231 1 1 . 1 1 44 44 THR HA H 543 4.464 4.464 4.681 -0.217 18466 232 1 1 . 1 1 44 44 THR C C 543 176.413 176.413 176.042 0.371 18466 233 1 1 . 1 1 44 44 THR CA C 543 60.762 60.762 59.557 1.205 18466 234 1 1 . 1 1 44 44 THR CB C 543 71.542 71.542 70.583 0.959 18466 235 1 1 . 1 1 44 44 THR H H 543 7.731 7.731 8.460 -0.729 18466 236 1 1 . 1 1 45 45 ASN N N 544 119.183 119.183 118.706 0.477 18466 237 1 1 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.485 0.215 18466 238 1 1 . 1 1 45 45 ASN C C 544 178.324 178.324 177.609 0.715 18466 239 1 1 . 1 1 45 45 ASN CA C 544 56.306 56.306 57.384 -1.078 18466 240 1 1 . 1 1 45 45 ASN CB C 544 37.206 37.206 37.915 -0.709 18466 241 1 1 . 1 1 45 45 ASN H H 544 8.883 8.883 9.056 -0.173 18466 242 1 1 . 1 1 46 46 GLU N N 545 118.549 118.549 119.959 -1.410 18466 243 1 1 . 1 1 46 46 GLU C C 545 178.200 178.200 178.165 0.035 18466 244 1 1 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.423 0.513 18466 245 1 1 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.717 0.630 18466 246 1 1 . 1 1 46 46 GLU H H 545 8.283 8.283 8.865 -0.582 18466 247 1 1 . 1 1 47 47 ALA N N 546 122.120 122.120 122.008 0.112 18466 248 1 1 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.142 -0.098 18466 249 1 1 . 1 1 47 47 ALA C C 546 180.432 180.432 179.429 1.003 18466 250 1 1 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.556 0.513 18466 251 1 1 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.371 1.222 18466 252 1 1 . 1 1 47 47 ALA H H 546 7.485 7.485 7.512 -0.027 18466 253 1 1 . 1 1 48 48 PHE N N 547 115.213 115.213 116.574 -1.361 18466 254 1 1 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.326 -0.280 18466 255 1 1 . 1 1 48 48 PHE C C 547 179.098 179.098 177.164 1.934 18466 256 1 1 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.450 0.655 18466 257 1 1 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.828 0.931 18466 258 1 1 . 1 1 48 48 PHE H H 547 7.363 7.363 7.486 -0.123 18466 259 1 1 . 1 1 49 49 ARG N N 548 118.451 118.451 119.384 -0.933 18466 260 1 1 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.131 -0.142 18466 261 1 1 . 1 1 49 49 ARG C C 548 176.382 176.382 177.594 -1.212 18466 262 1 1 . 1 1 49 49 ARG CA C 548 58.915 58.915 57.262 1.653 18466 263 1 1 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.522 -0.372 18466 264 1 1 . 1 1 49 49 ARG H H 548 8.266 8.266 8.082 0.184 18466 265 1 1 . 1 1 50 50 ALA N N 549 118.978 118.978 121.227 -2.249 18466 266 1 1 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.214 0.065 18466 267 1 1 . 1 1 50 50 ALA C C 549 178.745 178.745 178.074 0.671 18466 268 1 1 . 1 1 50 50 ALA CA C 549 52.652 52.652 52.742 -0.090 18466 269 1 1 . 1 1 50 50 ALA CB C 549 18.947 18.947 18.672 0.275 18466 270 1 1 . 1 1 50 50 ALA H H 549 7.416 7.416 7.797 -0.381 18466 271 1 1 . 1 1 51 51 LEU N N 550 119.842 119.842 121.782 -1.940 18466 272 1 1 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.325 0.206 18466 273 1 1 . 1 1 51 51 LEU CA C 550 53.313 53.313 53.493 -0.180 18466 274 1 1 . 1 1 51 51 LEU CB C 550 42.418 42.418 42.035 0.383 18466 275 1 1 . 1 1 51 51 LEU H H 550 7.138 7.138 7.261 -0.123 18466 276 1 1 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.656 0.133 18466 277 1 1 . 1 1 52 52 PRO CA C 551 61.784 61.784 62.216 -0.432 18466 278 1 1 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.293 0.049 18466 279 1 1 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.165 -0.050 18466 280 1 1 . 1 1 53 53 PRO CA C 552 66.346 66.346 65.990 0.356 18466 281 1 1 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.905 1.478 18466 282 1 1 . 1 1 54 54 ARG C C 553 179.024 179.024 178.923 0.101 18466 283 1 1 . 1 1 54 54 ARG CA C 553 59.454 59.454 58.785 0.669 18466 284 1 1 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.115 0.579 18466 285 1 1 . 1 1 55 55 GLU N N 554 119.712 119.712 119.725 -0.013 18466 286 1 1 . 1 1 55 55 GLU HA H 554 4.366 4.366 3.999 0.367 18466 287 1 1 . 1 1 55 55 GLU C C 554 178.437 178.437 178.632 -0.195 18466 288 1 1 . 1 1 55 55 GLU CA C 554 58.362 58.362 60.015 -1.653 18466 289 1 1 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.367 0.360 18466 290 1 1 . 1 1 55 55 GLU H H 554 7.526 7.526 8.635 -1.109 18466 291 1 1 . 1 1 56 56 ARG N N 555 120.112 120.112 118.635 1.477 18466 292 1 1 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.144 -0.299 18466 293 1 1 . 1 1 56 56 ARG C C 555 177.902 177.902 178.796 -0.894 18466 294 1 1 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.144 1.218 18466 295 1 1 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.955 0.340 18466 296 1 1 . 1 1 56 56 ARG H H 555 8.452 8.452 8.650 -0.198 18466 297 1 1 . 1 1 57 57 SER N N 556 111.829 111.829 115.373 -3.544 18466 298 1 1 . 1 1 57 57 SER HA H 556 4.138 4.138 4.287 -0.149 18466 299 1 1 . 1 1 57 57 SER C C 556 177.151 177.151 175.690 1.461 18466 300 1 1 . 1 1 57 57 SER CA C 556 61.661 61.661 60.651 1.010 18466 301 1 1 . 1 1 57 57 SER CB C 556 62.874 62.874 63.047 -0.173 18466 302 1 1 . 1 1 57 57 SER H H 556 8.200 8.200 8.008 0.192 18466 303 1 1 . 1 1 58 58 ARG N N 557 122.459 122.459 121.340 1.119 18466 304 1 1 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.208 -0.140 18466 305 1 1 . 1 1 58 58 ARG C C 557 178.190 178.190 179.068 -0.878 18466 306 1 1 . 1 1 58 58 ARG CA C 557 59.121 59.121 57.937 1.184 18466 307 1 1 . 1 1 58 58 ARG CB C 557 30.508 30.508 29.670 0.838 18466 308 1 1 . 1 1 58 58 ARG H H 557 7.589 7.589 7.279 0.310 18466 309 1 1 . 1 1 59 59 LEU N N 558 117.826 117.826 121.463 -3.637 18466 310 1 1 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.149 -0.040 18466 311 1 1 . 1 1 59 59 LEU C C 558 177.217 177.217 178.659 -1.442 18466 312 1 1 . 1 1 59 59 LEU CA C 558 57.778 57.778 58.053 -0.275 18466 313 1 1 . 1 1 59 59 LEU CB C 558 42.428 42.428 41.836 0.592 18466 314 1 1 . 1 1 59 59 LEU H H 558 8.034 8.034 8.659 -0.625 18466 315 1 1 . 1 1 60 60 LEU N N 559 112.187 112.187 116.783 -4.596 18466 316 1 1 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.296 -0.085 18466 317 1 1 . 1 1 60 60 LEU C C 559 179.037 179.037 178.176 0.861 18466 318 1 1 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.709 0.541 18466 319 1 1 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.325 -0.139 18466 320 1 1 . 1 1 60 60 LEU H H 559 7.844 7.844 7.766 0.078 18466 321 1 1 . 1 1 61 61 GLY N N 560 104.550 104.550 106.472 -1.922 18466 322 1 1 . 1 1 61 61 GLY C C 560 173.292 173.292 173.502 -0.210 18466 323 1 1 . 1 1 61 61 GLY CA C 560 45.525 45.525 44.822 0.703 18466 324 1 1 . 1 1 61 61 GLY H H 560 7.565 7.565 7.664 -0.099 18466 325 1 1 . 1 1 62 62 ASP N N 561 120.720 120.720 120.159 0.561 18466 326 1 1 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.853 0.043 18466 327 1 1 . 1 1 62 62 ASP C C 561 174.791 174.791 175.790 -0.999 18466 328 1 1 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.103 -0.546 18466 329 1 1 . 1 1 62 62 ASP CB C 561 42.146 42.146 43.282 -1.136 18466 330 1 1 . 1 1 62 62 ASP H H 561 7.255 7.255 7.525 -0.270 18466 331 1 1 . 1 1 63 63 ALA N N 562 126.814 126.814 128.976 -2.162 18466 332 1 1 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.082 -0.041 18466 333 1 1 . 1 1 63 63 ALA C C 562 180.100 180.100 178.950 1.150 18466 334 1 1 . 1 1 63 63 ALA CA C 562 55.682 55.682 54.943 0.739 18466 335 1 1 . 1 1 63 63 ALA CB C 562 18.903 18.903 18.874 0.029 18466 336 1 1 . 1 1 63 63 ALA H H 562 8.674 8.674 8.877 -0.203 18466 337 1 1 . 1 1 64 64 LYS N N 563 118.169 118.169 118.019 0.150 18466 338 1 1 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.189 -0.032 18466 339 1 1 . 1 1 64 64 LYS C C 563 179.513 179.513 179.076 0.437 18466 340 1 1 . 1 1 64 64 LYS CA C 563 59.404 59.404 58.437 0.967 18466 341 1 1 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.005 -0.040 18466 342 1 1 . 1 1 64 64 LYS H H 563 8.143 8.143 8.193 -0.050 18466 343 1 1 . 1 1 65 65 GLU N N 564 121.540 121.540 120.707 0.833 18466 344 1 1 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.086 0.179 18466 345 1 1 . 1 1 65 65 GLU C C 564 179.400 179.400 179.222 0.178 18466 346 1 1 . 1 1 65 65 GLU CA C 564 58.381 58.381 59.226 -0.845 18466 347 1 1 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.556 -0.294 18466 348 1 1 . 1 1 65 65 GLU H H 564 7.812 7.812 8.453 -0.641 18466 349 1 1 . 1 1 66 66 LEU N N 565 120.816 120.816 120.255 0.561 18466 350 1 1 . 1 1 66 66 LEU HA H 565 4.114 4.114 4.021 0.093 18466 351 1 1 . 1 1 66 66 LEU C C 565 178.632 178.632 178.764 -0.132 18466 352 1 1 . 1 1 66 66 LEU CA C 565 58.006 58.006 57.839 0.167 18466 353 1 1 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.759 -0.358 18466 354 1 1 . 1 1 66 66 LEU H H 565 8.757 8.757 8.109 0.648 18466 355 1 1 . 1 1 67 67 ALA N N 566 118.909 118.909 120.871 -1.962 18466 356 1 1 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.878 0.038 18466 357 1 1 . 1 1 67 67 ALA C C 566 178.874 178.874 179.218 -0.344 18466 358 1 1 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.341 0.626 18466 359 1 1 . 1 1 67 67 ALA CB C 566 18.119 18.119 18.074 0.045 18466 360 1 1 . 1 1 67 67 ALA H H 566 8.058 8.058 8.122 -0.064 18466 361 1 1 . 1 1 68 68 ASN N N 567 115.314 115.314 117.228 -1.914 18466 362 1 1 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.505 -0.063 18466 363 1 1 . 1 1 68 68 ASN C C 567 176.598 176.598 177.783 -1.185 18466 364 1 1 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.263 0.883 18466 365 1 1 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.839 0.193 18466 366 1 1 . 1 1 68 68 ASN H H 567 7.478 7.478 7.844 -0.366 18466 367 1 1 . 1 1 69 69 ILE N N 568 117.111 117.111 119.778 -2.667 18466 368 1 1 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.964 0.032 18466 369 1 1 . 1 1 69 69 ILE C C 568 179.707 179.707 178.249 1.458 18466 370 1 1 . 1 1 69 69 ILE CA C 568 63.604 63.604 62.883 0.721 18466 371 1 1 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.041 0.387 18466 372 1 1 . 1 1 69 69 ILE H H 568 8.027 8.027 7.529 0.498 18466 373 1 1 . 1 1 70 70 LEU N N 569 121.388 121.388 121.516 -0.128 18466 374 1 1 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.172 -0.072 18466 375 1 1 . 1 1 70 70 LEU C C 569 179.729 179.729 180.059 -0.330 18466 376 1 1 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.862 0.730 18466 377 1 1 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.298 0.616 18466 378 1 1 . 1 1 70 70 LEU H H 569 8.985 8.985 8.203 0.782 18466 379 1 1 . 1 1 71 71 LYS N N 570 116.226 116.226 118.647 -2.421 18466 380 1 1 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.081 -0.143 18466 381 1 1 . 1 1 71 71 LYS C C 570 177.620 177.620 178.286 -0.666 18466 382 1 1 . 1 1 71 71 LYS CA C 570 60.800 60.800 59.096 1.704 18466 383 1 1 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.180 0.261 18466 384 1 1 . 1 1 71 71 LYS H H 570 8.525 8.525 7.950 0.575 18466 385 1 1 . 1 1 72 72 TYR N N 571 120.076 120.076 118.389 1.687 18466 386 1 1 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.442 0.182 18466 387 1 1 . 1 1 72 72 TYR C C 571 171.915 171.915 176.600 -4.685 18466 388 1 1 . 1 1 72 72 TYR CA C 571 58.886 58.886 59.302 -0.416 18466 389 1 1 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.560 0.203 18466 390 1 1 . 1 1 72 72 TYR H H 571 7.624 7.624 7.774 -0.150 18466 391 1 1 . 1 1 73 73 HIS N N 572 108.895 108.895 116.459 -7.564 18466 392 1 1 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.568 -0.377 18466 393 1 1 . 1 1 73 73 HIS C C 572 173.852 173.852 174.071 -0.219 18466 394 1 1 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.642 0.228 18466 395 1 1 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.825 -2.667 18466 396 1 1 . 1 1 73 73 HIS H H 572 7.532 7.532 7.714 -0.182 18466 397 1 1 . 1 1 74 74 ILE N N 573 117.580 117.580 119.721 -2.141 18466 398 1 1 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.741 0.468 18466 399 1 1 . 1 1 74 74 ILE C C 573 175.691 175.691 174.897 0.794 18466 400 1 1 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.327 -0.700 18466 401 1 1 . 1 1 74 74 ILE CB C 573 40.690 40.690 39.492 1.198 18466 402 1 1 . 1 1 74 74 ILE H H 573 7.310 7.310 7.397 -0.087 18466 403 1 1 . 1 1 75 75 GLY N N 574 111.704 111.704 113.777 -2.073 18466 404 1 1 . 1 1 75 75 GLY C C 574 173.963 173.963 173.203 0.760 18466 405 1 1 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.938 -0.003 18466 406 1 1 . 1 1 75 75 GLY H H 574 10.187 10.187 9.334 0.853 18466 407 1 1 . 1 1 76 76 ASP N N 575 120.565 120.565 121.197 -0.632 18466 408 1 1 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.734 0.034 18466 409 1 1 . 1 1 76 76 ASP C C 575 174.774 174.774 175.477 -0.703 18466 410 1 1 . 1 1 76 76 ASP CA C 575 53.727 53.727 54.129 -0.402 18466 411 1 1 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.910 -1.073 18466 412 1 1 . 1 1 76 76 ASP H H 575 8.356 8.356 8.875 -0.519 18466 413 1 1 . 1 1 77 77 GLU N N 576 114.303 114.303 116.664 -2.361 18466 414 1 1 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.515 -0.044 18466 415 1 1 . 1 1 77 77 GLU C C 576 175.374 175.374 175.881 -0.507 18466 416 1 1 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.315 0.172 18466 417 1 1 . 1 1 77 77 GLU CB C 576 33.319 33.319 33.666 -0.347 18466 418 1 1 . 1 1 77 77 GLU H H 576 7.271 7.271 8.115 -0.844 18466 419 1 1 . 1 1 78 78 ILE N N 577 120.967 120.967 126.297 -5.330 18466 420 1 1 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.432 -0.855 18466 421 1 1 . 1 1 78 78 ILE C C 577 174.824 174.824 175.664 -0.840 18466 422 1 1 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.370 0.959 18466 423 1 1 . 1 1 78 78 ILE CB C 577 38.410 38.410 37.858 0.551 18466 424 1 1 . 1 1 78 78 ILE H H 577 8.498 8.498 8.626 -0.128 18466 425 1 1 . 1 1 79 79 LEU N N 578 132.772 132.772 131.468 1.304 18466 426 1 1 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.752 0.020 18466 427 1 1 . 1 1 79 79 LEU C C 578 174.159 174.159 175.721 -1.562 18466 428 1 1 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.351 0.546 18466 429 1 1 . 1 1 79 79 LEU CB C 578 44.049 44.049 42.012 2.037 18466 430 1 1 . 1 1 79 79 LEU H H 578 7.992 7.992 8.097 -0.105 18466 431 1 1 . 1 1 80 80 VAL N N 579 118.382 118.382 120.962 -2.580 18466 432 1 1 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.606 0.165 18466 433 1 1 . 1 1 80 80 VAL C C 579 178.418 178.418 176.704 1.714 18466 434 1 1 . 1 1 80 80 VAL CA C 579 59.503 59.503 60.493 -0.990 18466 435 1 1 . 1 1 80 80 VAL CB C 579 33.434 33.434 32.919 0.515 18466 436 1 1 . 1 1 80 80 VAL H H 579 7.954 7.954 8.446 -0.492 18466 437 1 1 . 1 1 81 81 SER N N 580 121.875 121.875 118.384 3.491 18466 438 1 1 . 1 1 81 81 SER HA H 580 3.838 3.838 4.127 -0.289 18466 439 1 1 . 1 1 81 81 SER C C 580 177.145 177.145 176.412 0.733 18466 440 1 1 . 1 1 81 81 SER CA C 580 62.909 62.909 62.700 0.209 18466 441 1 1 . 1 1 81 81 SER CB C 580 62.215 62.215 63.084 -0.869 18466 442 1 1 . 1 1 81 81 SER H H 580 11.083 11.083 9.767 1.316 18466 443 1 1 . 1 1 82 82 GLY N N 581 107.458 107.458 105.168 2.290 18466 444 1 1 . 1 1 82 82 GLY C C 581 174.750 174.750 175.012 -0.262 18466 445 1 1 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.535 0.404 18466 446 1 1 . 1 1 82 82 GLY H H 581 8.277 8.277 7.739 0.538 18466 447 1 1 . 1 1 83 83 GLY N N 582 107.852 107.852 108.702 -0.850 18466 448 1 1 . 1 1 83 83 GLY C C 582 174.378 174.378 175.401 -1.023 18466 449 1 1 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.447 0.079 18466 450 1 1 . 1 1 83 83 GLY H H 582 8.246 8.246 7.638 0.608 18466 451 1 1 . 1 1 84 84 ILE N N 583 120.968 120.968 120.933 0.035 18466 452 1 1 . 1 1 84 84 ILE HA H 583 3.817 3.817 3.614 0.203 18466 453 1 1 . 1 1 84 84 ILE C C 583 175.640 175.640 177.297 -1.657 18466 454 1 1 . 1 1 84 84 ILE CA C 583 62.947 62.947 64.318 -1.371 18466 455 1 1 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.280 0.808 18466 456 1 1 . 1 1 84 84 ILE H H 583 7.306 7.306 7.881 -0.575 18466 457 1 1 . 1 1 85 85 GLY N N 584 112.093 112.093 105.746 6.347 18466 458 1 1 . 1 1 85 85 GLY C C 584 173.086 173.086 173.548 -0.462 18466 459 1 1 . 1 1 85 85 GLY CA C 584 45.544 45.544 45.874 -0.330 18466 460 1 1 . 1 1 85 85 GLY H H 584 7.947 7.947 8.009 -0.062 18466 461 1 1 . 1 1 86 86 ALA N N 585 125.044 125.044 124.097 0.947 18466 462 1 1 . 1 1 86 86 ALA HA H 585 4.314 4.314 5.005 -0.691 18466 463 1 1 . 1 1 86 86 ALA C C 585 177.355 177.355 175.497 1.858 18466 464 1 1 . 1 1 86 86 ALA CA C 585 54.149 54.149 51.634 2.515 18466 465 1 1 . 1 1 86 86 ALA CB C 585 19.671 19.671 21.622 -1.951 18466 466 1 1 . 1 1 86 86 ALA H H 585 8.295 8.295 7.810 0.485 18466 467 1 1 . 1 1 87 87 LEU N N 586 118.525 118.525 118.469 0.056 18466 468 1 1 . 1 1 87 87 LEU HA H 586 4.713 4.713 5.182 -0.469 18466 469 1 1 . 1 1 87 87 LEU C C 586 175.568 175.568 175.105 0.463 18466 470 1 1 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.737 1.427 18466 471 1 1 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.749 -2.054 18466 472 1 1 . 1 1 87 87 LEU H H 586 7.804 7.804 7.902 -0.098 18466 473 1 1 . 1 1 88 88 VAL N N 587 128.017 128.017 123.487 4.530 18466 474 1 1 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.476 -0.173 18466 475 1 1 . 1 1 88 88 VAL C C 587 174.137 174.137 173.552 0.585 18466 476 1 1 . 1 1 88 88 VAL CA C 587 61.394 61.394 60.350 1.044 18466 477 1 1 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.809 -0.094 18466 478 1 1 . 1 1 88 88 VAL H H 587 9.514 9.514 9.095 0.419 18466 479 1 1 . 1 1 89 89 ARG N N 588 125.361 125.361 128.590 -3.229 18466 480 1 1 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.339 0.925 18466 481 1 1 . 1 1 89 89 ARG C C 588 174.993 174.993 175.038 -0.045 18466 482 1 1 . 1 1 89 89 ARG CA C 588 54.767 54.767 56.005 -1.238 18466 483 1 1 . 1 1 89 89 ARG CB C 588 30.134 30.134 29.618 0.516 18466 484 1 1 . 1 1 89 89 ARG H H 588 8.616 8.616 8.586 0.030 18466 485 1 1 . 1 1 90 90 LEU N N 589 128.011 128.011 129.848 -1.837 18466 486 1 1 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.900 -0.332 18466 487 1 1 . 1 1 90 90 LEU C C 589 174.937 174.937 175.407 -0.470 18466 488 1 1 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.529 -0.360 18466 489 1 1 . 1 1 90 90 LEU CB C 589 46.013 46.013 45.088 0.925 18466 490 1 1 . 1 1 90 90 LEU H H 589 8.814 8.814 8.646 0.168 18466 491 1 1 . 1 1 91 91 LYS N N 590 129.467 129.467 125.685 3.782 18466 492 1 1 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.837 -0.809 18466 493 1 1 . 1 1 91 91 LYS C C 590 174.523 174.523 176.269 -1.746 18466 494 1 1 . 1 1 91 91 LYS CA C 590 58.450 58.450 55.361 3.089 18466 495 1 1 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.554 -1.156 18466 496 1 1 . 1 1 91 91 LYS H H 590 9.414 9.414 9.450 -0.036 18466 497 1 1 . 1 1 92 92 SER N N 591 121.877 121.877 117.501 4.376 18466 498 1 1 . 1 1 92 92 SER HA H 591 5.622 5.622 5.019 0.603 18466 499 1 1 . 1 1 92 92 SER C C 591 178.072 178.072 176.067 2.005 18466 500 1 1 . 1 1 92 92 SER CA C 591 58.281 58.281 56.524 1.757 18466 501 1 1 . 1 1 92 92 SER CB C 591 67.446 67.446 66.381 1.065 18466 502 1 1 . 1 1 92 92 SER H H 591 7.965 7.965 8.970 -1.005 18466 503 1 1 . 1 1 93 93 LEU N N 592 121.378 121.378 120.515 0.863 18466 504 1 1 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.318 -0.015 18466 505 1 1 . 1 1 93 93 LEU C C 592 178.509 178.509 178.590 -0.081 18466 506 1 1 . 1 1 93 93 LEU CA C 592 57.264 57.264 56.671 0.593 18466 507 1 1 . 1 1 93 93 LEU CB C 592 41.391 41.391 40.477 0.914 18466 508 1 1 . 1 1 93 93 LEU H H 592 9.327 9.327 9.115 0.212 18466 509 1 1 . 1 1 94 94 GLN N N 593 119.354 119.354 118.002 1.352 18466 510 1 1 . 1 1 94 94 GLN C C 593 176.197 176.197 177.101 -0.904 18466 511 1 1 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.582 -1.084 18466 512 1 1 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.727 -2.448 18466 513 1 1 . 1 1 94 94 GLN H H 593 7.526 7.526 7.923 -0.397 18466 514 1 1 . 1 1 95 95 GLY N N 594 109.497 109.497 108.045 1.452 18466 515 1 1 . 1 1 95 95 GLY C C 594 174.379 174.379 174.260 0.119 18466 516 1 1 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.812 0.656 18466 517 1 1 . 1 1 95 95 GLY H H 594 7.632 7.632 7.799 -0.167 18466 518 1 1 . 1 1 96 96 ASP N N 595 121.403 121.403 121.511 -0.108 18466 519 1 1 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.724 0.176 18466 520 1 1 . 1 1 96 96 ASP C C 595 177.399 177.399 175.292 2.107 18466 521 1 1 . 1 1 96 96 ASP CA C 595 54.569 54.569 53.394 1.175 18466 522 1 1 . 1 1 96 96 ASP CB C 595 41.291 41.291 41.960 -0.669 18466 523 1 1 . 1 1 96 96 ASP H H 595 8.835 8.835 8.100 0.735 18466 524 1 1 . 1 1 97 97 LYS N N 596 119.362 119.362 119.780 -0.418 18466 525 1 1 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.810 0.234 18466 526 1 1 . 1 1 97 97 LYS C C 596 176.620 176.620 175.324 1.296 18466 527 1 1 . 1 1 97 97 LYS CA C 596 56.128 56.128 54.696 1.432 18466 528 1 1 . 1 1 97 97 LYS CB C 596 33.880 33.880 34.362 -0.482 18466 529 1 1 . 1 1 97 97 LYS H H 596 9.018 9.018 8.404 0.614 18466 530 1 1 . 1 1 98 98 LEU N N 597 125.543 125.543 125.000 0.543 18466 531 1 1 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.504 -0.150 18466 532 1 1 . 1 1 98 98 LEU C C 597 176.218 176.218 175.810 0.408 18466 533 1 1 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.911 0.026 18466 534 1 1 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.787 2.327 18466 535 1 1 . 1 1 98 98 LEU H H 597 9.304 9.304 9.289 0.015 18466 536 1 1 . 1 1 99 99 GLU N N 598 121.122 121.122 126.033 -4.911 18466 537 1 1 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.383 0.255 18466 538 1 1 . 1 1 99 99 GLU C C 598 175.099 175.099 175.577 -0.478 18466 539 1 1 . 1 1 99 99 GLU CA C 598 55.729 55.729 55.836 -0.107 18466 540 1 1 . 1 1 99 99 GLU CB C 598 30.554 30.554 28.724 1.829 18466 541 1 1 . 1 1 99 99 GLU H H 598 8.314 8.314 9.245 -0.931 18466 542 1 1 . 1 1 100 100 VAL N N 599 130.705 130.705 126.715 3.990 18466 543 1 1 . 1 1 100 100 VAL HA H 599 5.043 5.043 4.894 0.149 18466 544 1 1 . 1 1 100 100 VAL C C 599 173.758 173.758 175.376 -1.618 18466 545 1 1 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.496 -0.390 18466 546 1 1 . 1 1 100 100 VAL CB C 599 32.772 32.772 32.107 0.665 18466 547 1 1 . 1 1 100 100 VAL H H 599 9.330 9.330 7.911 1.419 18466 548 1 1 . 1 1 101 101 SER N N 600 119.932 119.932 122.495 -2.563 18466 549 1 1 . 1 1 101 101 SER HA H 600 4.942 4.942 4.919 0.023 18466 550 1 1 . 1 1 101 101 SER C C 600 171.934 171.934 171.944 -0.010 18466 551 1 1 . 1 1 101 101 SER CA C 600 56.624 56.624 56.605 0.019 18466 552 1 1 . 1 1 101 101 SER CB C 600 67.420 67.420 66.868 0.552 18466 553 1 1 . 1 1 101 101 SER H H 600 9.016 9.016 9.242 -0.226 18466 554 1 1 . 1 1 102 102 LEU N N 601 122.984 122.984 123.284 -0.300 18466 555 1 1 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.151 -0.104 18466 556 1 1 . 1 1 102 102 LEU C C 601 175.753 175.753 174.435 1.318 18466 557 1 1 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.366 -0.073 18466 558 1 1 . 1 1 102 102 LEU CB C 601 45.099 45.099 45.044 0.055 18466 559 1 1 . 1 1 102 102 LEU H H 601 7.919 7.919 9.140 -1.221 18466 560 1 1 . 1 1 103 103 LYS N N 602 126.471 126.471 124.858 1.613 18466 561 1 1 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.805 -0.350 18466 562 1 1 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.217 0.481 18466 563 1 1 . 1 1 103 103 LYS CB C 602 35.012 35.012 34.769 0.243 18466 564 1 1 . 1 1 103 103 LYS H H 602 8.335 8.335 8.911 -0.576 18466 565 1 1 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.384 -0.091 18466 566 1 1 . 1 1 104 104 ASN C C 603 174.155 174.155 174.998 -0.843 18466 567 1 1 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.079 0.668 18466 568 1 1 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.167 0.009 18466 569 1 1 . 1 1 105 105 ASN N N 604 108.810 108.810 112.762 -3.952 18466 570 1 1 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.337 -0.170 18466 571 1 1 . 1 1 105 105 ASN C C 604 173.758 173.758 173.519 0.239 18466 572 1 1 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.791 0.384 18466 573 1 1 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.386 -0.179 18466 574 1 1 . 1 1 105 105 ASN H H 604 8.680 8.680 8.524 0.156 18466 575 1 1 . 1 1 106 106 VAL N N 605 121.572 121.572 120.496 1.076 18466 576 1 1 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.188 0.100 18466 577 1 1 . 1 1 106 106 VAL C C 605 176.336 176.336 174.677 1.659 18466 578 1 1 . 1 1 106 106 VAL CA C 605 62.139 62.139 61.685 0.454 18466 579 1 1 . 1 1 106 106 VAL CB C 605 34.436 34.436 32.816 1.620 18466 580 1 1 . 1 1 106 106 VAL H H 605 7.908 7.908 7.782 0.126 18466 581 1 1 . 1 1 107 107 VAL N N 606 133.223 133.223 129.066 4.157 18466 582 1 1 . 1 1 107 107 VAL HA H 606 4.627 4.627 5.062 -0.435 18466 583 1 1 . 1 1 107 107 VAL C C 606 174.704 174.704 174.910 -0.206 18466 584 1 1 . 1 1 107 107 VAL CA C 606 61.787 61.787 60.645 1.142 18466 585 1 1 . 1 1 107 107 VAL CB C 606 32.211 32.211 33.326 -1.115 18466 586 1 1 . 1 1 107 107 VAL H H 606 9.418 9.418 8.638 0.780 18466 587 1 1 . 1 1 108 108 SER N N 607 120.743 120.743 124.565 -3.822 18466 588 1 1 . 1 1 108 108 SER HA H 607 5.365 5.365 5.127 0.238 18466 589 1 1 . 1 1 108 108 SER C C 607 171.934 171.934 172.108 -0.174 18466 590 1 1 . 1 1 108 108 SER CA C 607 56.958 56.958 57.263 -0.305 18466 591 1 1 . 1 1 108 108 SER CB C 607 66.469 66.469 66.753 -0.284 18466 592 1 1 . 1 1 108 108 SER H H 607 9.123 9.123 9.111 0.012 18466 593 1 1 . 1 1 109 109 VAL N N 608 121.138 121.138 123.989 -2.851 18466 594 1 1 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.514 0.266 18466 595 1 1 . 1 1 109 109 VAL C C 608 173.903 173.903 174.910 -1.007 18466 596 1 1 . 1 1 109 109 VAL CA C 608 57.399 57.399 60.074 -2.675 18466 597 1 1 . 1 1 109 109 VAL CB C 608 33.962 33.962 32.968 0.994 18466 598 1 1 . 1 1 109 109 VAL H H 608 9.144 9.144 8.874 0.270 18466 599 1 1 . 1 1 110 110 ASN N N 609 128.266 128.266 128.067 0.199 18466 600 1 1 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.311 -0.046 18466 601 1 1 . 1 1 110 110 ASN C C 609 175.296 175.296 174.754 0.542 18466 602 1 1 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.547 -0.539 18466 603 1 1 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.365 -0.444 18466 604 1 1 . 1 1 110 110 ASN H H 609 9.783 9.783 9.275 0.508 18466 605 1 1 . 1 1 111 111 LYS N N 610 107.513 107.513 110.731 -3.218 18466 606 1 1 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.916 -0.268 18466 607 1 1 . 1 1 111 111 LYS C C 610 175.617 175.617 175.715 -0.098 18466 608 1 1 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.327 0.076 18466 609 1 1 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.742 -1.221 18466 610 1 1 . 1 1 111 111 LYS H H 610 8.302 8.302 8.379 -0.077 18466 611 1 1 . 1 1 112 112 GLU N N 611 125.401 125.401 121.292 4.109 18466 612 1 1 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.705 0.094 18466 613 1 1 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.347 -0.441 18466 614 1 1 . 1 1 112 112 GLU H H 611 8.565 8.565 7.515 1.050 18466 615 1 1 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.661 0.025 18466 616 1 1 . 1 1 113 113 PRO C C 612 177.464 177.464 176.268 1.196 18466 617 1 1 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.599 0.064 18466 618 1 1 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.415 -0.264 18466 619 1 1 . 1 1 114 114 VAL N N 613 124.842 124.842 121.155 3.687 18466 620 1 1 . 1 1 114 114 VAL HA H 613 4.284 4.284 4.095 0.189 18466 621 1 1 . 1 1 114 114 VAL C C 613 176.520 176.520 176.114 0.406 18466 622 1 1 . 1 1 114 114 VAL CA C 613 62.290 62.290 61.336 0.954 18466 623 1 1 . 1 1 114 114 VAL CB C 613 32.203 32.203 32.041 0.162 18466 624 1 1 . 1 1 114 114 VAL H H 613 9.226 9.226 8.136 1.090 18466 625 1 1 . 1 1 115 115 ALA N N 614 132.511 132.511 131.405 1.106 18466 626 1 1 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.392 -0.055 18466 627 1 1 . 1 1 115 115 ALA C C 614 178.395 178.395 177.450 0.945 18466 628 1 1 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.593 0.429 18466 629 1 1 . 1 1 115 115 ALA CB C 614 19.663 19.663 20.150 -0.487 18466 630 1 1 . 1 1 115 115 ALA H H 614 8.910 8.910 9.002 -0.092 18466 631 1 1 . 1 1 116 116 GLU N N 615 115.091 115.091 117.066 -1.975 18466 632 1 1 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.792 0.081 18466 633 1 1 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.768 -0.280 18466 634 1 1 . 1 1 116 116 GLU H H 615 6.869 6.869 7.851 -0.982 18466 635 1 1 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.251 0.393 18466 636 1 1 . 1 1 117 117 PRO C C 616 177.124 177.124 176.412 0.712 18466 637 1 1 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.334 -0.296 18466 638 1 1 . 1 1 117 117 PRO CB C 616 33.662 33.662 33.097 0.565 18466 639 1 1 . 1 1 118 118 ASP N N 617 114.361 114.361 115.958 -1.597 18466 640 1 1 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.268 -0.383 18466 641 1 1 . 1 1 118 118 ASP C C 617 174.982 174.982 175.342 -0.360 18466 642 1 1 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.602 -0.727 18466 643 1 1 . 1 1 118 118 ASP CB C 617 37.661 37.661 39.742 -2.081 18466 644 1 1 . 1 1 118 118 ASP H H 617 9.745 9.745 8.669 1.076 18466 645 1 1 . 1 1 119 119 ILE N N 618 121.057 121.057 121.041 0.016 18466 646 1 1 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.033 0.006 18466 647 1 1 . 1 1 119 119 ILE C C 618 175.857 175.857 175.484 0.373 18466 648 1 1 . 1 1 119 119 ILE CA C 618 62.841 62.841 61.778 1.063 18466 649 1 1 . 1 1 119 119 ILE CB C 618 36.496 36.496 37.944 -1.448 18466 650 1 1 . 1 1 119 119 ILE H H 618 8.754 8.754 7.745 1.009 18466 651 1 1 . 1 1 120 120 MET N N 619 125.664 125.664 127.750 -2.086 18466 652 1 1 . 1 1 120 120 MET HA H 619 4.604 4.604 4.522 0.082 18466 653 1 1 . 1 1 120 120 MET C C 619 174.825 174.825 175.219 -0.394 18466 654 1 1 . 1 1 120 120 MET CA C 619 55.006 55.006 54.486 0.520 18466 655 1 1 . 1 1 120 120 MET CB C 619 31.457 31.457 31.485 -0.028 18466 656 1 1 . 1 1 120 120 MET H H 619 8.077 8.077 8.585 -0.508 18466 657 1 1 . 1 1 121 121 ALA N N 620 122.929 122.929 126.027 -3.098 18466 658 1 1 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.835 0.060 18466 659 1 1 . 1 1 121 121 ALA C C 620 177.945 177.945 177.755 0.190 18466 660 1 1 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.901 -0.878 18466 661 1 1 . 1 1 121 121 ALA CB C 620 23.030 23.030 22.136 0.894 18466 662 1 1 . 1 1 121 121 ALA H H 620 8.386 8.386 8.284 0.102 18466 663 1 1 . 1 1 122 122 THR N N 621 111.051 111.051 114.795 -3.744 18466 664 1 1 . 1 1 122 122 THR HA H 621 4.046 4.046 4.139 -0.093 18466 665 1 1 . 1 1 122 122 THR C C 621 176.366 176.366 175.042 1.324 18466 666 1 1 . 1 1 122 122 THR CA C 621 64.526 64.526 64.605 -0.079 18466 667 1 1 . 1 1 122 122 THR CB C 621 68.423 68.423 69.099 -0.676 18466 668 1 1 . 1 1 122 122 THR H H 621 9.176 9.176 8.455 0.721 18466 669 1 1 . 1 1 123 123 ASN N N 622 117.402 117.402 116.439 0.963 18466 670 1 1 . 1 1 123 123 ASN HA H 622 5.034 5.034 4.986 0.048 18466 671 1 1 . 1 1 123 123 ASN C C 622 173.258 173.258 174.491 -1.233 18466 672 1 1 . 1 1 123 123 ASN CA C 622 51.163 51.163 51.916 -0.753 18466 673 1 1 . 1 1 123 123 ASN CB C 622 37.038 37.038 38.562 -1.524 18466 674 1 1 . 1 1 123 123 ASN H H 622 7.970 7.970 8.273 -0.303 18466 675 1 1 . 1 1 124 124 GLY N N 623 102.697 102.697 106.946 -4.249 18466 676 1 1 . 1 1 124 124 GLY C C 623 169.960 169.960 171.660 -1.700 18466 677 1 1 . 1 1 124 124 GLY CA C 623 46.700 46.700 44.941 1.759 18466 678 1 1 . 1 1 124 124 GLY H H 623 6.916 6.916 7.391 -0.475 18466 679 1 1 . 1 1 125 125 VAL N N 624 120.074 120.074 119.068 1.006 18466 680 1 1 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.199 -0.317 18466 681 1 1 . 1 1 125 125 VAL C C 624 170.860 170.860 173.516 -2.656 18466 682 1 1 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.360 0.237 18466 683 1 1 . 1 1 125 125 VAL CB C 624 34.915 34.915 35.585 -0.670 18466 684 1 1 . 1 1 125 125 VAL H H 624 8.474 8.474 8.525 -0.051 18466 685 1 1 . 1 1 126 126 VAL N N 625 127.537 127.537 123.703 3.834 18466 686 1 1 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.635 0.006 18466 687 1 1 . 1 1 126 126 VAL C C 625 172.913 172.913 173.981 -1.068 18466 688 1 1 . 1 1 126 126 VAL CA C 625 60.474 60.474 60.299 0.175 18466 689 1 1 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.640 -0.502 18466 690 1 1 . 1 1 126 126 VAL H H 625 9.093 9.093 8.330 0.763 18466 691 1 1 . 1 1 127 127 HIS N N 626 124.236 124.236 125.451 -1.215 18466 692 1 1 . 1 1 127 127 HIS HA H 626 5.499 5.499 5.052 0.447 18466 693 1 1 . 1 1 127 127 HIS C C 626 175.690 175.690 175.359 0.331 18466 694 1 1 . 1 1 127 127 HIS CA C 626 53.204 53.204 53.573 -0.369 18466 695 1 1 . 1 1 127 127 HIS CB C 626 34.315 34.315 30.847 3.468 18466 696 1 1 . 1 1 127 127 HIS H H 626 8.732 8.732 8.830 -0.098 18466 697 1 1 . 1 1 128 128 VAL N N 627 124.683 124.683 126.767 -2.084 18466 698 1 1 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.178 0.315 18466 699 1 1 . 1 1 128 128 VAL C C 627 176.380 176.380 175.695 0.685 18466 700 1 1 . 1 1 128 128 VAL CA C 627 64.757 64.757 64.146 0.611 18466 701 1 1 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.892 0.996 18466 702 1 1 . 1 1 128 128 VAL H H 627 8.827 8.827 8.704 0.123 18466 703 1 1 . 1 1 129 129 ILE N N 628 121.094 121.094 120.862 0.232 18466 704 1 1 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.810 0.333 18466 705 1 1 . 1 1 129 129 ILE C C 628 175.099 175.099 175.320 -0.221 18466 706 1 1 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.308 0.947 18466 707 1 1 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.515 1.098 18466 708 1 1 . 1 1 129 129 ILE H H 628 8.650 8.650 9.014 -0.364 18466 709 1 1 . 1 1 130 130 THR N N 629 108.406 108.406 117.041 -8.635 18466 710 1 1 . 1 1 130 130 THR HA H 629 4.666 4.666 4.509 0.157 18466 711 1 1 . 1 1 130 130 THR C C 629 173.079 173.079 173.724 -0.645 18466 712 1 1 . 1 1 130 130 THR CA C 629 61.373 61.373 61.406 -0.033 18466 713 1 1 . 1 1 130 130 THR CB C 629 68.776 68.776 69.183 -0.407 18466 714 1 1 . 1 1 130 130 THR H H 629 9.359 9.359 8.687 0.672 18466 715 1 1 . 1 1 131 131 ASN N N 630 117.726 117.726 117.346 0.380 18466 716 1 1 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.957 -0.137 18466 717 1 1 . 1 1 131 131 ASN C C 630 172.152 172.152 173.656 -1.504 18466 718 1 1 . 1 1 131 131 ASN CA C 630 52.538 52.538 51.929 0.609 18466 719 1 1 . 1 1 131 131 ASN CB C 630 43.071 43.071 42.268 0.803 18466 720 1 1 . 1 1 131 131 ASN H H 630 7.404 7.404 7.708 -0.304 18466 721 1 1 . 1 1 132 132 VAL N N 631 118.213 118.213 115.508 2.705 18466 722 1 1 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.314 -0.326 18466 723 1 1 . 1 1 132 132 VAL C C 631 176.686 176.686 175.318 1.368 18466 724 1 1 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.001 1.357 18466 725 1 1 . 1 1 132 132 VAL CB C 631 32.611 32.611 33.228 -0.617 18466 726 1 1 . 1 1 132 132 VAL H H 631 8.137 8.137 8.220 -0.083 18466 727 1 1 . 1 1 133 133 LEU N N 632 132.179 132.179 125.248 6.931 18466 728 1 1 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.518 -0.309 18466 729 1 1 . 1 1 133 133 LEU C C 632 175.569 175.569 175.930 -0.361 18466 730 1 1 . 1 1 133 133 LEU CA C 632 55.215 55.215 53.846 1.369 18466 731 1 1 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.659 -0.186 18466 732 1 1 . 1 1 133 133 LEU H H 632 10.917 10.917 8.482 2.435 18466 733 1 1 . 1 1 134 134 GLN N N 633 115.538 115.538 123.646 -8.108 18466 734 1 1 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.766 0.015 18466 735 1 1 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.928 -0.537 18466 736 1 1 . 1 1 134 134 GLN H H 633 7.765 7.765 8.461 -0.696 18466 737 1 2 . 1 1 3 3 MET C C 502 175.880 175.880 175.807 0.073 18466 738 1 2 . 1 1 3 3 MET CA C 502 55.950 55.950 55.609 0.341 18466 739 1 2 . 1 1 3 3 MET CB C 502 34.203 34.203 31.927 2.276 18466 740 1 2 . 1 1 4 4 GLY N N 503 111.090 111.090 113.152 -2.062 18466 741 1 2 . 1 1 4 4 GLY C C 503 174.009 174.009 172.553 1.456 18466 742 1 2 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.538 -0.061 18466 743 1 2 . 1 1 4 4 GLY H H 503 8.375 8.375 7.879 0.496 18466 744 1 2 . 1 1 5 5 THR N N 504 111.543 111.543 112.233 -0.690 18466 745 1 2 . 1 1 5 5 THR HA H 504 4.437 4.437 4.732 -0.295 18466 746 1 2 . 1 1 5 5 THR C C 504 176.361 176.361 176.229 0.132 18466 747 1 2 . 1 1 5 5 THR CA C 504 61.972 61.972 60.165 1.807 18466 748 1 2 . 1 1 5 5 THR CB C 504 73.041 73.041 70.766 2.276 18466 749 1 2 . 1 1 5 5 THR H H 504 9.227 9.227 8.059 1.168 18466 750 1 2 . 1 1 6 6 VAL N N 505 118.236 118.236 119.896 -1.660 18466 751 1 2 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.520 -0.267 18466 752 1 2 . 1 1 6 6 VAL C C 505 177.287 177.287 177.731 -0.444 18466 753 1 2 . 1 1 6 6 VAL CA C 505 67.124 67.124 66.804 0.320 18466 754 1 2 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.455 0.042 18466 755 1 2 . 1 1 6 6 VAL H H 505 9.896 9.896 8.257 1.639 18466 756 1 2 . 1 1 7 7 MET N N 506 114.146 114.146 115.602 -1.456 18466 757 1 2 . 1 1 7 7 MET HA H 506 4.358 4.358 4.137 0.221 18466 758 1 2 . 1 1 7 7 MET C C 506 178.126 178.126 178.651 -0.525 18466 759 1 2 . 1 1 7 7 MET CA C 506 56.050 56.050 56.851 -0.801 18466 760 1 2 . 1 1 7 7 MET CB C 506 30.608 30.608 30.871 -0.263 18466 761 1 2 . 1 1 7 7 MET H H 506 6.970 6.970 7.842 -0.872 18466 762 1 2 . 1 1 8 8 ASP N N 507 120.413 120.413 120.733 -0.320 18466 763 1 2 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.544 -0.291 18466 764 1 2 . 1 1 8 8 ASP C C 507 179.824 179.824 178.442 1.382 18466 765 1 2 . 1 1 8 8 ASP CA C 507 58.147 58.147 56.975 1.172 18466 766 1 2 . 1 1 8 8 ASP CB C 507 40.478 40.478 41.193 -0.715 18466 767 1 2 . 1 1 8 8 ASP H H 507 7.433 7.433 7.693 -0.260 18466 768 1 2 . 1 1 9 9 VAL N N 508 121.366 121.366 120.136 1.230 18466 769 1 2 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.714 -0.149 18466 770 1 2 . 1 1 9 9 VAL C C 508 179.112 179.112 178.596 0.516 18466 771 1 2 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.158 -0.009 18466 772 1 2 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.910 -0.340 18466 773 1 2 . 1 1 9 9 VAL H H 508 8.157 8.157 7.566 0.591 18466 774 1 2 . 1 1 10 10 LEU N N 509 117.252 117.252 118.261 -1.009 18466 775 1 2 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.391 -0.369 18466 776 1 2 . 1 1 10 10 LEU C C 509 179.092 179.092 178.099 0.993 18466 777 1 2 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.270 0.074 18466 778 1 2 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.058 0.864 18466 779 1 2 . 1 1 10 10 LEU H H 509 7.859 7.859 8.234 -0.375 18466 780 1 2 . 1 1 11 11 LYS N N 510 114.815 114.815 116.142 -1.327 18466 781 1 2 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.225 -0.271 18466 782 1 2 . 1 1 11 11 LYS C C 510 178.026 178.026 178.026 0.000 18466 783 1 2 . 1 1 11 11 LYS CA C 510 59.144 59.144 57.890 1.254 18466 784 1 2 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.482 0.215 18466 785 1 2 . 1 1 11 11 LYS H H 510 8.376 8.376 7.336 1.040 18466 786 1 2 . 1 1 12 12 GLY N N 511 104.635 104.635 106.441 -1.806 18466 787 1 2 . 1 1 12 12 GLY C C 511 172.558 172.558 173.702 -1.144 18466 788 1 2 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.908 0.597 18466 789 1 2 . 1 1 12 12 GLY H H 511 7.593 7.593 7.613 -0.020 18466 790 1 2 . 1 1 13 13 ASP N N 512 120.111 120.111 118.393 1.718 18466 791 1 2 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.647 0.348 18466 792 1 2 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.621 -0.038 18466 793 1 2 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.399 0.558 18466 794 1 2 . 1 1 13 13 ASP H H 512 7.065 7.065 7.188 -0.123 18466 795 1 2 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.544 -0.096 18466 796 1 2 . 1 1 14 14 ASN C C 513 176.736 176.736 177.250 -0.514 18466 797 1 2 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.297 0.595 18466 798 1 2 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.852 -0.767 18466 799 1 2 . 1 1 15 15 ARG N N 514 118.917 118.917 119.154 -0.237 18466 800 1 2 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.212 -0.043 18466 801 1 2 . 1 1 15 15 ARG C C 514 176.145 176.145 178.506 -2.361 18466 802 1 2 . 1 1 15 15 ARG CA C 514 58.062 58.062 58.512 -0.450 18466 803 1 2 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.124 0.542 18466 804 1 2 . 1 1 15 15 ARG H H 514 8.581 8.581 8.096 0.485 18466 805 1 2 . 1 1 16 16 PHE N N 515 113.226 113.226 118.342 -5.116 18466 806 1 2 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.698 1.081 18466 807 1 2 . 1 1 16 16 PHE C C 515 176.587 176.587 177.017 -0.430 18466 808 1 2 . 1 1 16 16 PHE CA C 515 56.064 56.064 56.238 -0.174 18466 809 1 2 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.603 0.968 18466 810 1 2 . 1 1 16 16 PHE H H 515 7.600 7.600 8.590 -0.990 18466 811 1 2 . 1 1 17 17 SER N N 516 116.620 116.620 116.192 0.428 18466 812 1 2 . 1 1 17 17 SER HA H 516 4.049 4.049 4.177 -0.128 18466 813 1 2 . 1 1 17 17 SER C C 516 178.564 178.564 176.262 2.302 18466 814 1 2 . 1 1 17 17 SER CA C 516 62.683 62.683 61.129 1.554 18466 815 1 2 . 1 1 17 17 SER CB C 516 62.150 62.150 63.068 -0.918 18466 816 1 2 . 1 1 17 17 SER H H 516 7.532 7.532 7.480 0.052 18466 817 1 2 . 1 1 18 18 MET N N 517 124.356 124.356 119.962 4.394 18466 818 1 2 . 1 1 18 18 MET HA H 517 3.991 3.991 4.172 -0.181 18466 819 1 2 . 1 1 18 18 MET C C 517 178.066 178.066 177.569 0.497 18466 820 1 2 . 1 1 18 18 MET CA C 517 59.462 59.462 57.512 1.950 18466 821 1 2 . 1 1 18 18 MET CB C 517 31.596 31.596 32.107 -0.511 18466 822 1 2 . 1 1 18 18 MET H H 517 9.291 9.291 7.772 1.519 18466 823 1 2 . 1 1 19 19 LEU N N 518 123.835 123.835 120.761 3.074 18466 824 1 2 . 1 1 19 19 LEU HA H 518 3.921 3.921 3.975 -0.054 18466 825 1 2 . 1 1 19 19 LEU C C 518 178.217 178.217 178.633 -0.416 18466 826 1 2 . 1 1 19 19 LEU CA C 518 58.140 58.140 58.049 0.091 18466 827 1 2 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.656 -0.324 18466 828 1 2 . 1 1 19 19 LEU H H 518 8.615 8.615 7.770 0.845 18466 829 1 2 . 1 1 20 20 VAL N N 519 118.876 118.876 117.713 1.163 18466 830 1 2 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.678 -0.373 18466 831 1 2 . 1 1 20 20 VAL C C 519 178.174 178.174 177.498 0.676 18466 832 1 2 . 1 1 20 20 VAL CA C 519 67.850 67.850 65.767 2.083 18466 833 1 2 . 1 1 20 20 VAL CB C 519 31.701 31.701 31.538 0.163 18466 834 1 2 . 1 1 20 20 VAL H H 519 9.059 9.059 7.632 1.427 18466 835 1 2 . 1 1 21 21 ALA N N 520 122.184 122.184 120.743 1.441 18466 836 1 2 . 1 1 21 21 ALA HA H 520 4.156 4.156 4.213 -0.057 18466 837 1 2 . 1 1 21 21 ALA C C 520 180.310 180.310 178.894 1.416 18466 838 1 2 . 1 1 21 21 ALA CA C 520 55.066 55.066 54.387 0.679 18466 839 1 2 . 1 1 21 21 ALA CB C 520 17.806 17.806 18.788 -0.982 18466 840 1 2 . 1 1 21 21 ALA H H 520 7.482 7.482 7.351 0.131 18466 841 1 2 . 1 1 22 22 ALA N N 521 123.379 123.379 122.413 0.966 18466 842 1 2 . 1 1 22 22 ALA HA H 521 4.102 4.102 3.978 0.124 18466 843 1 2 . 1 1 22 22 ALA C C 521 178.705 178.705 179.536 -0.831 18466 844 1 2 . 1 1 22 22 ALA CA C 521 54.908 54.908 55.007 -0.099 18466 845 1 2 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.348 -0.477 18466 846 1 2 . 1 1 22 22 ALA H H 521 8.286 8.286 8.281 0.005 18466 847 1 2 . 1 1 23 23 ILE N N 522 120.263 120.263 118.302 1.961 18466 848 1 2 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.585 -0.281 18466 849 1 2 . 1 1 23 23 ILE C C 522 178.025 178.025 177.707 0.318 18466 850 1 2 . 1 1 23 23 ILE CA C 522 65.979 65.979 64.596 1.383 18466 851 1 2 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.578 0.789 18466 852 1 2 . 1 1 23 23 ILE H H 522 8.900 8.900 8.543 0.357 18466 853 1 2 . 1 1 24 24 GLN N N 523 118.959 118.959 120.357 -1.398 18466 854 1 2 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.204 -0.016 18466 855 1 2 . 1 1 24 24 GLN C C 523 180.253 180.253 178.445 1.808 18466 856 1 2 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.522 0.071 18466 857 1 2 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.324 -0.692 18466 858 1 2 . 1 1 24 24 GLN H H 523 7.898 7.898 7.768 0.130 18466 859 1 2 . 1 1 25 25 SER N N 524 118.150 118.150 114.013 4.137 18466 860 1 2 . 1 1 25 25 SER HA H 524 4.188 4.188 4.295 -0.107 18466 861 1 2 . 1 1 25 25 SER C C 524 175.635 175.635 175.957 -0.322 18466 862 1 2 . 1 1 25 25 SER CA C 524 61.732 61.732 60.070 1.662 18466 863 1 2 . 1 1 25 25 SER CB C 524 63.140 63.140 63.127 0.014 18466 864 1 2 . 1 1 25 25 SER H H 524 8.405 8.405 8.101 0.304 18466 865 1 2 . 1 1 26 26 ALA N N 525 119.360 119.360 121.782 -2.422 18466 866 1 2 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.351 0.017 18466 867 1 2 . 1 1 26 26 ALA C C 525 176.960 176.960 177.821 -0.861 18466 868 1 2 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.571 -0.415 18466 869 1 2 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.625 0.322 18466 870 1 2 . 1 1 26 26 ALA H H 525 8.277 8.277 7.692 0.585 18466 871 1 2 . 1 1 27 27 GLY N N 526 105.968 105.968 106.920 -0.952 18466 872 1 2 . 1 1 27 27 GLY C C 526 176.602 176.602 175.405 1.197 18466 873 1 2 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.311 1.164 18466 874 1 2 . 1 1 27 27 GLY H H 526 7.789 7.789 7.470 0.319 18466 875 1 2 . 1 1 28 28 LEU N N 527 118.466 118.466 118.638 -0.172 18466 876 1 2 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.651 -0.198 18466 877 1 2 . 1 1 28 28 LEU C C 527 175.805 175.805 177.478 -1.673 18466 878 1 2 . 1 1 28 28 LEU CA C 527 54.816 54.816 54.025 0.791 18466 879 1 2 . 1 1 28 28 LEU CB C 527 45.181 45.181 40.486 4.695 18466 880 1 2 . 1 1 28 28 LEU H H 527 8.088 8.088 8.011 0.077 18466 881 1 2 . 1 1 29 29 THR N N 528 118.037 118.037 114.496 3.541 18466 882 1 2 . 1 1 29 29 THR HA H 528 3.539 3.539 3.969 -0.430 18466 883 1 2 . 1 1 29 29 THR C C 528 175.526 175.526 175.244 0.282 18466 884 1 2 . 1 1 29 29 THR CA C 528 66.828 66.828 66.168 0.660 18466 885 1 2 . 1 1 29 29 THR CB C 528 68.754 68.754 68.466 0.288 18466 886 1 2 . 1 1 29 29 THR H H 528 7.593 7.593 7.752 -0.159 18466 887 1 2 . 1 1 30 30 GLU N N 529 117.711 117.711 118.680 -0.969 18466 888 1 2 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.048 -0.076 18466 889 1 2 . 1 1 30 30 GLU C C 529 179.395 179.395 178.241 1.154 18466 890 1 2 . 1 1 30 30 GLU CA C 529 59.788 59.788 58.816 0.972 18466 891 1 2 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.854 -0.396 18466 892 1 2 . 1 1 30 30 GLU H H 529 8.304 8.304 8.541 -0.237 18466 893 1 2 . 1 1 31 31 THR N N 530 116.155 116.155 116.961 -0.806 18466 894 1 2 . 1 1 31 31 THR HA H 530 3.756 3.756 4.074 -0.318 18466 895 1 2 . 1 1 31 31 THR C C 530 175.838 175.838 176.212 -0.374 18466 896 1 2 . 1 1 31 31 THR CA C 530 67.156 67.156 66.219 0.937 18466 897 1 2 . 1 1 31 31 THR CB C 530 69.159 69.159 68.764 0.395 18466 898 1 2 . 1 1 31 31 THR H H 530 7.692 7.692 7.436 0.256 18466 899 1 2 . 1 1 32 32 LEU N N 531 116.655 116.655 118.511 -1.856 18466 900 1 2 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.058 -0.137 18466 901 1 2 . 1 1 32 32 LEU C C 531 176.177 176.177 177.271 -1.094 18466 902 1 2 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.450 1.103 18466 903 1 2 . 1 1 32 32 LEU CB C 531 41.533 41.533 39.590 1.943 18466 904 1 2 . 1 1 32 32 LEU H H 531 7.103 7.103 7.460 -0.357 18466 905 1 2 . 1 1 33 33 ASN N N 532 118.711 118.711 117.235 1.476 18466 906 1 2 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.598 0.378 18466 907 1 2 . 1 1 33 33 ASN C C 532 174.819 174.819 175.560 -0.741 18466 908 1 2 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.836 -1.715 18466 909 1 2 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.375 1.614 18466 910 1 2 . 1 1 33 33 ASN H H 532 7.735 7.735 7.238 0.497 18466 911 1 2 . 1 1 34 34 ARG N N 533 119.777 119.777 120.425 -0.648 18466 912 1 2 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.524 0.005 18466 913 1 2 . 1 1 34 34 ARG C C 533 175.340 175.340 175.365 -0.025 18466 914 1 2 . 1 1 34 34 ARG CA C 533 55.624 55.624 54.992 0.632 18466 915 1 2 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.569 1.236 18466 916 1 2 . 1 1 34 34 ARG H H 533 7.287 7.287 7.568 -0.281 18466 917 1 2 . 1 1 35 35 GLU N N 534 120.198 120.198 118.830 1.368 18466 918 1 2 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.227 0.008 18466 919 1 2 . 1 1 35 35 GLU C C 534 176.305 176.305 176.839 -0.534 18466 920 1 2 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.302 1.436 18466 921 1 2 . 1 1 35 35 GLU CB C 534 29.694 29.694 30.612 -0.918 18466 922 1 2 . 1 1 35 35 GLU H H 534 8.517 8.517 8.583 -0.066 18466 923 1 2 . 1 1 36 36 GLY N N 535 111.018 111.018 106.462 4.556 18466 924 1 2 . 1 1 36 36 GLY C C 535 170.570 170.570 172.387 -1.817 18466 925 1 2 . 1 1 36 36 GLY CA C 535 44.825 44.825 44.612 0.213 18466 926 1 2 . 1 1 36 36 GLY H H 535 7.955 7.955 8.610 -0.655 18466 927 1 2 . 1 1 37 37 VAL N N 536 114.867 114.867 119.025 -4.158 18466 928 1 2 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.588 -0.460 18466 929 1 2 . 1 1 37 37 VAL C C 536 173.020 173.020 173.682 -0.662 18466 930 1 2 . 1 1 37 37 VAL CA C 536 59.407 59.407 59.721 -0.314 18466 931 1 2 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.439 0.243 18466 932 1 2 . 1 1 37 37 VAL H H 536 7.198 7.198 7.921 -0.723 18466 933 1 2 . 1 1 38 38 TYR N N 537 117.363 117.363 121.856 -4.493 18466 934 1 2 . 1 1 38 38 TYR HA H 537 5.199 5.199 5.048 0.151 18466 935 1 2 . 1 1 38 38 TYR C C 537 176.278 176.278 174.924 1.354 18466 936 1 2 . 1 1 38 38 TYR CA C 537 56.770 56.770 57.191 -0.421 18466 937 1 2 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.803 -0.259 18466 938 1 2 . 1 1 38 38 TYR H H 537 7.507 7.507 8.416 -0.909 18466 939 1 2 . 1 1 39 39 THR N N 538 117.120 117.120 119.273 -2.153 18466 940 1 2 . 1 1 39 39 THR HA H 538 4.781 4.781 4.843 -0.062 18466 941 1 2 . 1 1 39 39 THR C C 538 173.406 173.406 173.152 0.254 18466 942 1 2 . 1 1 39 39 THR CA C 538 62.197 62.197 61.932 0.265 18466 943 1 2 . 1 1 39 39 THR CB C 538 70.922 70.922 69.556 1.366 18466 944 1 2 . 1 1 39 39 THR H H 538 7.906 7.906 9.108 -1.202 18466 945 1 2 . 1 1 40 40 VAL N N 539 126.768 126.768 127.385 -0.617 18466 946 1 2 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.698 -0.095 18466 947 1 2 . 1 1 40 40 VAL C C 539 174.038 174.038 174.363 -0.325 18466 948 1 2 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.771 0.397 18466 949 1 2 . 1 1 40 40 VAL CB C 539 33.995 33.995 32.537 1.458 18466 950 1 2 . 1 1 40 40 VAL H H 539 9.154 9.154 9.008 0.146 18466 951 1 2 . 1 1 41 41 PHE N N 540 128.517 128.517 127.332 1.185 18466 952 1 2 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.084 0.247 18466 953 1 2 . 1 1 41 41 PHE C C 540 173.429 173.429 175.260 -1.831 18466 954 1 2 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.679 1.003 18466 955 1 2 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.400 -0.951 18466 956 1 2 . 1 1 41 41 PHE H H 540 9.087 9.087 8.568 0.519 18466 957 1 2 . 1 1 42 42 ALA N N 541 125.981 125.981 130.178 -4.197 18466 958 1 2 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.820 -0.237 18466 959 1 2 . 1 1 42 42 ALA CA C 541 48.996 48.996 48.788 0.207 18466 960 1 2 . 1 1 42 42 ALA CB C 541 23.007 23.007 19.246 3.761 18466 961 1 2 . 1 1 42 42 ALA H H 541 8.666 8.666 8.613 0.053 18466 962 1 2 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.200 -0.183 18466 963 1 2 . 1 1 43 43 PRO C C 542 177.809 177.809 177.242 0.567 18466 964 1 2 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.011 -0.932 18466 965 1 2 . 1 1 43 43 PRO CB C 542 31.835 31.835 31.781 0.054 18466 966 1 2 . 1 1 44 44 THR N N 543 112.053 112.053 115.039 -2.986 18466 967 1 2 . 1 1 44 44 THR HA H 543 4.464 4.464 4.418 0.046 18466 968 1 2 . 1 1 44 44 THR C C 543 176.413 176.413 175.986 0.427 18466 969 1 2 . 1 1 44 44 THR CA C 543 60.762 60.762 59.757 1.005 18466 970 1 2 . 1 1 44 44 THR CB C 543 71.542 71.542 70.403 1.139 18466 971 1 2 . 1 1 44 44 THR H H 543 7.731 7.731 8.224 -0.493 18466 972 1 2 . 1 1 45 45 ASN N N 544 119.183 119.183 119.563 -0.380 18466 973 1 2 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.532 0.168 18466 974 1 2 . 1 1 45 45 ASN C C 544 178.324 178.324 177.353 0.971 18466 975 1 2 . 1 1 45 45 ASN CA C 544 56.306 56.306 57.202 -0.896 18466 976 1 2 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.355 -1.149 18466 977 1 2 . 1 1 45 45 ASN H H 544 8.883 8.883 8.950 -0.067 18466 978 1 2 . 1 1 46 46 GLU N N 545 118.549 118.549 118.668 -0.119 18466 979 1 2 . 1 1 46 46 GLU C C 545 178.200 178.200 178.223 -0.023 18466 980 1 2 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.825 0.111 18466 981 1 2 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.956 0.391 18466 982 1 2 . 1 1 46 46 GLU H H 545 8.283 8.283 8.833 -0.550 18466 983 1 2 . 1 1 47 47 ALA N N 546 122.120 122.120 121.868 0.252 18466 984 1 2 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.087 -0.043 18466 985 1 2 . 1 1 47 47 ALA C C 546 180.432 180.432 179.386 1.046 18466 986 1 2 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.580 0.489 18466 987 1 2 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.441 1.152 18466 988 1 2 . 1 1 47 47 ALA H H 546 7.485 7.485 7.327 0.158 18466 989 1 2 . 1 1 48 48 PHE N N 547 115.213 115.213 117.036 -1.823 18466 990 1 2 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.271 -0.225 18466 991 1 2 . 1 1 48 48 PHE C C 547 179.098 179.098 177.698 1.400 18466 992 1 2 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.109 0.996 18466 993 1 2 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.523 1.236 18466 994 1 2 . 1 1 48 48 PHE H H 547 7.363 7.363 7.577 -0.214 18466 995 1 2 . 1 1 49 49 ARG N N 548 118.451 118.451 119.485 -1.034 18466 996 1 2 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.177 -0.188 18466 997 1 2 . 1 1 49 49 ARG C C 548 176.382 176.382 177.250 -0.868 18466 998 1 2 . 1 1 49 49 ARG CA C 548 58.915 58.915 58.007 0.908 18466 999 1 2 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.534 -0.384 18466 1000 1 2 . 1 1 49 49 ARG H H 548 8.266 8.266 8.188 0.078 18466 1001 1 2 . 1 1 50 50 ALA N N 549 118.978 118.978 121.236 -2.258 18466 1002 1 2 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.328 -0.049 18466 1003 1 2 . 1 1 50 50 ALA C C 549 178.745 178.745 178.327 0.418 18466 1004 1 2 . 1 1 50 50 ALA CA C 549 52.652 52.652 52.405 0.247 18466 1005 1 2 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.161 -0.214 18466 1006 1 2 . 1 1 50 50 ALA H H 549 7.416 7.416 7.599 -0.183 18466 1007 1 2 . 1 1 51 51 LEU N N 550 119.842 119.842 121.339 -1.497 18466 1008 1 2 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.241 0.290 18466 1009 1 2 . 1 1 51 51 LEU CA C 550 53.313 53.313 54.074 -0.761 18466 1010 1 2 . 1 1 51 51 LEU CB C 550 42.418 42.418 41.618 0.800 18466 1011 1 2 . 1 1 51 51 LEU H H 550 7.138 7.138 7.351 -0.213 18466 1012 1 2 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.869 -0.080 18466 1013 1 2 . 1 1 52 52 PRO CA C 551 61.784 61.784 60.863 0.921 18466 1014 1 2 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.427 -0.085 18466 1015 1 2 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.125 -0.010 18466 1016 1 2 . 1 1 53 53 PRO CA C 552 66.346 66.346 66.022 0.324 18466 1017 1 2 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.961 1.422 18466 1018 1 2 . 1 1 54 54 ARG C C 553 179.024 179.024 178.935 0.089 18466 1019 1 2 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.923 -0.469 18466 1020 1 2 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.889 -0.195 18466 1021 1 2 . 1 1 55 55 GLU N N 554 119.712 119.712 118.804 0.908 18466 1022 1 2 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.239 0.127 18466 1023 1 2 . 1 1 55 55 GLU C C 554 178.437 178.437 178.733 -0.296 18466 1024 1 2 . 1 1 55 55 GLU CA C 554 58.362 58.362 58.379 -0.017 18466 1025 1 2 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.296 0.431 18466 1026 1 2 . 1 1 55 55 GLU H H 554 7.526 7.526 7.771 -0.245 18466 1027 1 2 . 1 1 56 56 ARG N N 555 120.112 120.112 121.110 -0.998 18466 1028 1 2 . 1 1 56 56 ARG HA H 555 3.845 3.845 3.956 -0.111 18466 1029 1 2 . 1 1 56 56 ARG C C 555 177.902 177.902 178.593 -0.691 18466 1030 1 2 . 1 1 56 56 ARG CA C 555 60.362 60.362 60.148 0.214 18466 1031 1 2 . 1 1 56 56 ARG CB C 555 30.295 30.295 30.295 -0.000 18466 1032 1 2 . 1 1 56 56 ARG H H 555 8.452 8.452 8.829 -0.377 18466 1033 1 2 . 1 1 57 57 SER N N 556 111.829 111.829 113.856 -2.027 18466 1034 1 2 . 1 1 57 57 SER HA H 556 4.138 4.138 4.115 0.023 18466 1035 1 2 . 1 1 57 57 SER C C 556 177.151 177.151 175.837 1.314 18466 1036 1 2 . 1 1 57 57 SER CA C 556 61.661 61.661 61.998 -0.338 18466 1037 1 2 . 1 1 57 57 SER CB C 556 62.874 62.874 62.812 0.062 18466 1038 1 2 . 1 1 57 57 SER H H 556 8.200 8.200 7.851 0.349 18466 1039 1 2 . 1 1 58 58 ARG N N 557 122.459 122.459 122.002 0.457 18466 1040 1 2 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.139 -0.071 18466 1041 1 2 . 1 1 58 58 ARG C C 557 178.190 178.190 178.902 -0.712 18466 1042 1 2 . 1 1 58 58 ARG CA C 557 59.121 59.121 59.012 0.109 18466 1043 1 2 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.264 0.244 18466 1044 1 2 . 1 1 58 58 ARG H H 557 7.589 7.589 7.268 0.321 18466 1045 1 2 . 1 1 59 59 LEU N N 558 117.826 117.826 121.307 -3.481 18466 1046 1 2 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.180 -0.071 18466 1047 1 2 . 1 1 59 59 LEU C C 558 177.217 177.217 178.718 -1.501 18466 1048 1 2 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.857 -0.079 18466 1049 1 2 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.175 0.253 18466 1050 1 2 . 1 1 59 59 LEU H H 558 8.034 8.034 8.598 -0.564 18466 1051 1 2 . 1 1 60 60 LEU N N 559 112.187 112.187 116.268 -4.081 18466 1052 1 2 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.395 -0.184 18466 1053 1 2 . 1 1 60 60 LEU C C 559 179.037 179.037 177.399 1.638 18466 1054 1 2 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.276 0.974 18466 1055 1 2 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.017 0.169 18466 1056 1 2 . 1 1 60 60 LEU H H 559 7.844 7.844 8.435 -0.591 18466 1057 1 2 . 1 1 61 61 GLY N N 560 104.550 104.550 107.104 -2.554 18466 1058 1 2 . 1 1 61 61 GLY C C 560 173.292 173.292 173.276 0.016 18466 1059 1 2 . 1 1 61 61 GLY CA C 560 45.525 45.525 44.885 0.640 18466 1060 1 2 . 1 1 61 61 GLY H H 560 7.565 7.565 7.630 -0.065 18466 1061 1 2 . 1 1 62 62 ASP N N 561 120.720 120.720 120.240 0.480 18466 1062 1 2 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.831 0.065 18466 1063 1 2 . 1 1 62 62 ASP C C 561 174.791 174.791 175.730 -0.939 18466 1064 1 2 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.130 -0.573 18466 1065 1 2 . 1 1 62 62 ASP CB C 561 42.146 42.146 43.474 -1.328 18466 1066 1 2 . 1 1 62 62 ASP H H 561 7.255 7.255 7.498 -0.243 18466 1067 1 2 . 1 1 63 63 ALA N N 562 126.814 126.814 128.044 -1.230 18466 1068 1 2 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.131 -0.090 18466 1069 1 2 . 1 1 63 63 ALA C C 562 180.100 180.100 178.650 1.450 18466 1070 1 2 . 1 1 63 63 ALA CA C 562 55.682 55.682 55.004 0.678 18466 1071 1 2 . 1 1 63 63 ALA CB C 562 18.903 18.903 19.008 -0.105 18466 1072 1 2 . 1 1 63 63 ALA H H 562 8.674 8.674 8.674 -0.000 18466 1073 1 2 . 1 1 64 64 LYS N N 563 118.169 118.169 118.675 -0.506 18466 1074 1 2 . 1 1 64 64 LYS HA H 563 4.157 4.157 3.986 0.171 18466 1075 1 2 . 1 1 64 64 LYS C C 563 179.513 179.513 178.159 1.354 18466 1076 1 2 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.599 -0.195 18466 1077 1 2 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.446 -0.480 18466 1078 1 2 . 1 1 64 64 LYS H H 563 8.143 8.143 7.925 0.218 18466 1079 1 2 . 1 1 65 65 GLU N N 564 121.540 121.540 119.180 2.360 18466 1080 1 2 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.061 0.204 18466 1081 1 2 . 1 1 65 65 GLU C C 564 179.400 179.400 179.233 0.167 18466 1082 1 2 . 1 1 65 65 GLU CA C 564 58.381 58.381 59.388 -1.007 18466 1083 1 2 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.265 -0.003 18466 1084 1 2 . 1 1 65 65 GLU H H 564 7.812 7.812 8.448 -0.636 18466 1085 1 2 . 1 1 66 66 LEU N N 565 120.816 120.816 119.990 0.826 18466 1086 1 2 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.966 0.147 18466 1087 1 2 . 1 1 66 66 LEU C C 565 178.632 178.632 178.905 -0.273 18466 1088 1 2 . 1 1 66 66 LEU CA C 565 58.006 58.006 57.843 0.163 18466 1089 1 2 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.571 -0.170 18466 1090 1 2 . 1 1 66 66 LEU H H 565 8.757 8.757 7.678 1.079 18466 1091 1 2 . 1 1 67 67 ALA N N 566 118.909 118.909 120.825 -1.916 18466 1092 1 2 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.871 0.045 18466 1093 1 2 . 1 1 67 67 ALA C C 566 178.874 178.874 179.641 -0.767 18466 1094 1 2 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.343 0.624 18466 1095 1 2 . 1 1 67 67 ALA CB C 566 18.119 18.119 17.998 0.121 18466 1096 1 2 . 1 1 67 67 ALA H H 566 8.058 8.058 8.230 -0.172 18466 1097 1 2 . 1 1 68 68 ASN N N 567 115.314 115.314 117.168 -1.854 18466 1098 1 2 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.463 -0.021 18466 1099 1 2 . 1 1 68 68 ASN C C 567 176.598 176.598 177.671 -1.073 18466 1100 1 2 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.152 0.994 18466 1101 1 2 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.583 0.449 18466 1102 1 2 . 1 1 68 68 ASN H H 567 7.478 7.478 8.150 -0.672 18466 1103 1 2 . 1 1 69 69 ILE N N 568 117.111 117.111 119.175 -2.064 18466 1104 1 2 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.992 0.004 18466 1105 1 2 . 1 1 69 69 ILE C C 568 179.707 179.707 177.986 1.721 18466 1106 1 2 . 1 1 69 69 ILE CA C 568 63.604 63.604 62.651 0.953 18466 1107 1 2 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.392 0.036 18466 1108 1 2 . 1 1 69 69 ILE H H 568 8.027 8.027 7.791 0.236 18466 1109 1 2 . 1 1 70 70 LEU N N 569 121.388 121.388 122.049 -0.661 18466 1110 1 2 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.149 -0.049 18466 1111 1 2 . 1 1 70 70 LEU C C 569 179.729 179.729 179.267 0.462 18466 1112 1 2 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.826 0.766 18466 1113 1 2 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.450 0.464 18466 1114 1 2 . 1 1 70 70 LEU H H 569 8.985 8.985 8.573 0.412 18466 1115 1 2 . 1 1 71 71 LYS N N 570 116.226 116.226 117.936 -1.710 18466 1116 1 2 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.042 -0.104 18466 1117 1 2 . 1 1 71 71 LYS C C 570 177.620 177.620 178.750 -1.130 18466 1118 1 2 . 1 1 71 71 LYS CA C 570 60.800 60.800 59.283 1.517 18466 1119 1 2 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.242 0.199 18466 1120 1 2 . 1 1 71 71 LYS H H 570 8.525 8.525 8.092 0.433 18466 1121 1 2 . 1 1 72 72 TYR N N 571 120.076 120.076 117.240 2.836 18466 1122 1 2 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.453 0.171 18466 1123 1 2 . 1 1 72 72 TYR C C 571 171.915 171.915 175.833 -3.918 18466 1124 1 2 . 1 1 72 72 TYR CA C 571 58.886 58.886 59.124 -0.238 18466 1125 1 2 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.789 -0.026 18466 1126 1 2 . 1 1 72 72 TYR H H 571 7.624 7.624 7.680 -0.056 18466 1127 1 2 . 1 1 73 73 HIS N N 572 108.895 108.895 115.416 -6.521 18466 1128 1 2 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.587 -0.396 18466 1129 1 2 . 1 1 73 73 HIS C C 572 173.852 173.852 174.850 -0.998 18466 1130 1 2 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.430 0.440 18466 1131 1 2 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.877 -2.719 18466 1132 1 2 . 1 1 73 73 HIS H H 572 7.532 7.532 7.732 -0.200 18466 1133 1 2 . 1 1 74 74 ILE N N 573 117.580 117.580 119.976 -2.396 18466 1134 1 2 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.542 0.667 18466 1135 1 2 . 1 1 74 74 ILE C C 573 175.691 175.691 174.795 0.896 18466 1136 1 2 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.664 -1.037 18466 1137 1 2 . 1 1 74 74 ILE CB C 573 40.690 40.690 38.770 1.920 18466 1138 1 2 . 1 1 74 74 ILE H H 573 7.310 7.310 7.413 -0.103 18466 1139 1 2 . 1 1 75 75 GLY N N 574 111.704 111.704 113.854 -2.150 18466 1140 1 2 . 1 1 75 75 GLY C C 574 173.963 173.963 173.404 0.559 18466 1141 1 2 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.720 0.215 18466 1142 1 2 . 1 1 75 75 GLY H H 574 10.187 10.187 9.129 1.058 18466 1143 1 2 . 1 1 76 76 ASP N N 575 120.565 120.565 120.872 -0.307 18466 1144 1 2 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.658 0.110 18466 1145 1 2 . 1 1 76 76 ASP C C 575 174.774 174.774 175.619 -0.845 18466 1146 1 2 . 1 1 76 76 ASP CA C 575 53.727 53.727 54.306 -0.579 18466 1147 1 2 . 1 1 76 76 ASP CB C 575 40.836 40.836 42.151 -1.315 18466 1148 1 2 . 1 1 76 76 ASP H H 575 8.356 8.356 8.305 0.051 18466 1149 1 2 . 1 1 77 77 GLU N N 576 114.303 114.303 117.779 -3.476 18466 1150 1 2 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.543 -0.072 18466 1151 1 2 . 1 1 77 77 GLU C C 576 175.374 175.374 175.909 -0.535 18466 1152 1 2 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.408 0.079 18466 1153 1 2 . 1 1 77 77 GLU CB C 576 33.319 33.319 32.567 0.752 18466 1154 1 2 . 1 1 77 77 GLU H H 576 7.271 7.271 8.159 -0.888 18466 1155 1 2 . 1 1 78 78 ILE N N 577 120.967 120.967 126.460 -5.493 18466 1156 1 2 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.508 -0.931 18466 1157 1 2 . 1 1 78 78 ILE C C 577 174.824 174.824 175.630 -0.806 18466 1158 1 2 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.463 0.865 18466 1159 1 2 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.234 0.176 18466 1160 1 2 . 1 1 78 78 ILE H H 577 8.498 8.498 8.665 -0.167 18466 1161 1 2 . 1 1 79 79 LEU N N 578 132.772 132.772 130.993 1.779 18466 1162 1 2 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.849 -0.077 18466 1163 1 2 . 1 1 79 79 LEU C C 578 174.159 174.159 174.934 -0.775 18466 1164 1 2 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.793 0.104 18466 1165 1 2 . 1 1 79 79 LEU CB C 578 44.049 44.049 44.951 -0.902 18466 1166 1 2 . 1 1 79 79 LEU H H 578 7.992 7.992 8.190 -0.198 18466 1167 1 2 . 1 1 80 80 VAL N N 579 118.382 118.382 122.233 -3.851 18466 1168 1 2 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.774 -0.003 18466 1169 1 2 . 1 1 80 80 VAL C C 579 178.418 178.418 176.622 1.796 18466 1170 1 2 . 1 1 80 80 VAL CA C 579 59.503 59.503 59.741 -0.238 18466 1171 1 2 . 1 1 80 80 VAL CB C 579 33.434 33.434 34.137 -0.703 18466 1172 1 2 . 1 1 80 80 VAL H H 579 7.954 7.954 8.233 -0.279 18466 1173 1 2 . 1 1 81 81 SER N N 580 121.875 121.875 118.479 3.396 18466 1174 1 2 . 1 1 81 81 SER HA H 580 3.838 3.838 4.226 -0.388 18466 1175 1 2 . 1 1 81 81 SER C C 580 177.145 177.145 176.325 0.820 18466 1176 1 2 . 1 1 81 81 SER CA C 580 62.909 62.909 61.743 1.166 18466 1177 1 2 . 1 1 81 81 SER CB C 580 62.215 62.215 62.704 -0.489 18466 1178 1 2 . 1 1 81 81 SER H H 580 11.083 11.083 8.885 2.198 18466 1179 1 2 . 1 1 82 82 GLY N N 581 107.458 107.458 107.391 0.067 18466 1180 1 2 . 1 1 82 82 GLY C C 581 174.750 174.750 174.321 0.429 18466 1181 1 2 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.109 0.830 18466 1182 1 2 . 1 1 82 82 GLY H H 581 8.277 8.277 8.414 -0.137 18466 1183 1 2 . 1 1 83 83 GLY N N 582 107.852 107.852 107.862 -0.010 18466 1184 1 2 . 1 1 83 83 GLY C C 582 174.378 174.378 174.674 -0.296 18466 1185 1 2 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.511 0.015 18466 1186 1 2 . 1 1 83 83 GLY H H 582 8.246 8.246 7.778 0.468 18466 1187 1 2 . 1 1 84 84 ILE N N 583 120.968 120.968 121.650 -0.682 18466 1188 1 2 . 1 1 84 84 ILE HA H 583 3.817 3.817 4.026 -0.209 18466 1189 1 2 . 1 1 84 84 ILE C C 583 175.640 175.640 176.587 -0.947 18466 1190 1 2 . 1 1 84 84 ILE CA C 583 62.947 62.947 62.740 0.207 18466 1191 1 2 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.815 0.273 18466 1192 1 2 . 1 1 84 84 ILE H H 583 7.306 7.306 7.438 -0.132 18466 1193 1 2 . 1 1 85 85 GLY N N 584 112.093 112.093 107.723 4.370 18466 1194 1 2 . 1 1 85 85 GLY C C 584 173.086 173.086 174.848 -1.762 18466 1195 1 2 . 1 1 85 85 GLY CA C 584 45.544 45.544 44.850 0.694 18466 1196 1 2 . 1 1 85 85 GLY H H 584 7.947 7.947 8.403 -0.456 18466 1197 1 2 . 1 1 86 86 ALA N N 585 125.044 125.044 125.020 0.024 18466 1198 1 2 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.010 0.304 18466 1199 1 2 . 1 1 86 86 ALA C C 585 177.355 177.355 175.570 1.785 18466 1200 1 2 . 1 1 86 86 ALA CA C 585 54.149 54.149 53.616 0.533 18466 1201 1 2 . 1 1 86 86 ALA CB C 585 19.671 19.671 18.443 1.228 18466 1202 1 2 . 1 1 86 86 ALA H H 585 8.295 8.295 8.508 -0.213 18466 1203 1 2 . 1 1 87 87 LEU N N 586 118.525 118.525 117.800 0.725 18466 1204 1 2 . 1 1 87 87 LEU HA H 586 4.713 4.713 4.905 -0.192 18466 1205 1 2 . 1 1 87 87 LEU C C 586 175.568 175.568 175.016 0.552 18466 1206 1 2 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.609 1.555 18466 1207 1 2 . 1 1 87 87 LEU CB C 586 43.695 43.695 46.084 -2.389 18466 1208 1 2 . 1 1 87 87 LEU H H 586 7.804 7.804 7.928 -0.124 18466 1209 1 2 . 1 1 88 88 VAL N N 587 128.017 128.017 122.345 5.672 18466 1210 1 2 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.388 -0.085 18466 1211 1 2 . 1 1 88 88 VAL C C 587 174.137 174.137 174.706 -0.569 18466 1212 1 2 . 1 1 88 88 VAL CA C 587 61.394 61.394 60.204 1.190 18466 1213 1 2 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.599 0.116 18466 1214 1 2 . 1 1 88 88 VAL H H 587 9.514 9.514 8.878 0.636 18466 1215 1 2 . 1 1 89 89 ARG N N 588 125.361 125.361 124.603 0.758 18466 1216 1 2 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.448 0.816 18466 1217 1 2 . 1 1 89 89 ARG C C 588 174.993 174.993 175.397 -0.404 18466 1218 1 2 . 1 1 89 89 ARG CA C 588 54.767 54.767 54.655 0.112 18466 1219 1 2 . 1 1 89 89 ARG CB C 588 30.134 30.134 29.226 0.908 18466 1220 1 2 . 1 1 89 89 ARG H H 588 8.616 8.616 8.363 0.253 18466 1221 1 2 . 1 1 90 90 LEU N N 589 128.011 128.011 127.749 0.262 18466 1222 1 2 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.600 -0.032 18466 1223 1 2 . 1 1 90 90 LEU C C 589 174.937 174.937 175.476 -0.539 18466 1224 1 2 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.189 -0.020 18466 1225 1 2 . 1 1 90 90 LEU CB C 589 46.013 46.013 43.958 2.055 18466 1226 1 2 . 1 1 90 90 LEU H H 589 8.814 8.814 7.897 0.917 18466 1227 1 2 . 1 1 91 91 LYS N N 590 129.467 129.467 127.217 2.250 18466 1228 1 2 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.919 -0.891 18466 1229 1 2 . 1 1 91 91 LYS C C 590 174.523 174.523 176.355 -1.832 18466 1230 1 2 . 1 1 91 91 LYS CA C 590 58.450 58.450 55.979 2.471 18466 1231 1 2 . 1 1 91 91 LYS CB C 590 32.398 32.398 34.064 -1.666 18466 1232 1 2 . 1 1 91 91 LYS H H 590 9.414 9.414 8.966 0.448 18466 1233 1 2 . 1 1 92 92 SER N N 591 121.877 121.877 117.886 3.991 18466 1234 1 2 . 1 1 92 92 SER HA H 591 5.622 5.622 5.122 0.500 18466 1235 1 2 . 1 1 92 92 SER C C 591 178.072 178.072 176.080 1.992 18466 1236 1 2 . 1 1 92 92 SER CA C 591 58.281 58.281 56.693 1.588 18466 1237 1 2 . 1 1 92 92 SER CB C 591 67.446 67.446 65.614 1.832 18466 1238 1 2 . 1 1 92 92 SER H H 591 7.965 7.965 8.942 -0.977 18466 1239 1 2 . 1 1 93 93 LEU N N 592 121.378 121.378 121.382 -0.004 18466 1240 1 2 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.205 0.098 18466 1241 1 2 . 1 1 93 93 LEU C C 592 178.509 178.509 178.433 0.076 18466 1242 1 2 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.201 0.063 18466 1243 1 2 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.106 0.285 18466 1244 1 2 . 1 1 93 93 LEU H H 592 9.327 9.327 8.908 0.419 18466 1245 1 2 . 1 1 94 94 GLN N N 593 119.354 119.354 118.061 1.293 18466 1246 1 2 . 1 1 94 94 GLN C C 593 176.197 176.197 177.275 -1.078 18466 1247 1 2 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.952 -1.454 18466 1248 1 2 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.532 -2.252 18466 1249 1 2 . 1 1 94 94 GLN H H 593 7.526 7.526 7.947 -0.421 18466 1250 1 2 . 1 1 95 95 GLY N N 594 109.497 109.497 108.142 1.355 18466 1251 1 2 . 1 1 95 95 GLY C C 594 174.379 174.379 173.849 0.530 18466 1252 1 2 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.847 0.621 18466 1253 1 2 . 1 1 95 95 GLY H H 594 7.632 7.632 8.140 -0.508 18466 1254 1 2 . 1 1 96 96 ASP N N 595 121.403 121.403 121.928 -0.525 18466 1255 1 2 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.785 0.115 18466 1256 1 2 . 1 1 96 96 ASP C C 595 177.399 177.399 174.781 2.618 18466 1257 1 2 . 1 1 96 96 ASP CA C 595 54.569 54.569 53.218 1.351 18466 1258 1 2 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.697 -1.406 18466 1259 1 2 . 1 1 96 96 ASP H H 595 8.835 8.835 7.999 0.836 18466 1260 1 2 . 1 1 97 97 LYS N N 596 119.362 119.362 119.473 -0.111 18466 1261 1 2 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.945 0.099 18466 1262 1 2 . 1 1 97 97 LYS C C 596 176.620 176.620 175.161 1.459 18466 1263 1 2 . 1 1 97 97 LYS CA C 596 56.128 56.128 54.529 1.599 18466 1264 1 2 . 1 1 97 97 LYS CB C 596 33.880 33.880 34.185 -0.305 18466 1265 1 2 . 1 1 97 97 LYS H H 596 9.018 9.018 8.369 0.649 18466 1266 1 2 . 1 1 98 98 LEU N N 597 125.543 125.543 122.756 2.787 18466 1267 1 2 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.356 -0.002 18466 1268 1 2 . 1 1 98 98 LEU C C 597 176.218 176.218 176.378 -0.160 18466 1269 1 2 . 1 1 98 98 LEU CA C 597 53.937 53.937 54.030 -0.093 18466 1270 1 2 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.896 2.218 18466 1271 1 2 . 1 1 98 98 LEU H H 597 9.304 9.304 9.030 0.274 18466 1272 1 2 . 1 1 99 99 GLU N N 598 121.122 121.122 124.601 -3.479 18466 1273 1 2 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.390 0.248 18466 1274 1 2 . 1 1 99 99 GLU C C 598 175.099 175.099 175.099 0.000 18466 1275 1 2 . 1 1 99 99 GLU CA C 598 55.729 55.729 54.908 0.821 18466 1276 1 2 . 1 1 99 99 GLU CB C 598 30.554 30.554 28.851 1.703 18466 1277 1 2 . 1 1 99 99 GLU H H 598 8.314 8.314 9.094 -0.780 18466 1278 1 2 . 1 1 100 100 VAL N N 599 130.705 130.705 128.001 2.704 18466 1279 1 2 . 1 1 100 100 VAL HA H 599 5.043 5.043 5.007 0.036 18466 1280 1 2 . 1 1 100 100 VAL C C 599 173.758 173.758 174.942 -1.184 18466 1281 1 2 . 1 1 100 100 VAL CA C 599 61.106 61.106 60.996 0.110 18466 1282 1 2 . 1 1 100 100 VAL CB C 599 32.772 32.772 32.395 0.377 18466 1283 1 2 . 1 1 100 100 VAL H H 599 9.330 9.330 7.756 1.574 18466 1284 1 2 . 1 1 101 101 SER N N 600 119.932 119.932 121.617 -1.685 18466 1285 1 2 . 1 1 101 101 SER HA H 600 4.942 4.942 4.929 0.013 18466 1286 1 2 . 1 1 101 101 SER C C 600 171.934 171.934 171.837 0.097 18466 1287 1 2 . 1 1 101 101 SER CA C 600 56.624 56.624 56.746 -0.122 18466 1288 1 2 . 1 1 101 101 SER CB C 600 67.420 67.420 66.357 1.063 18466 1289 1 2 . 1 1 101 101 SER H H 600 9.016 9.016 9.026 -0.010 18466 1290 1 2 . 1 1 102 102 LEU N N 601 122.984 122.984 124.114 -1.130 18466 1291 1 2 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.096 -0.049 18466 1292 1 2 . 1 1 102 102 LEU C C 601 175.753 175.753 174.377 1.376 18466 1293 1 2 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.849 -0.556 18466 1294 1 2 . 1 1 102 102 LEU CB C 601 45.099 45.099 45.291 -0.192 18466 1295 1 2 . 1 1 102 102 LEU H H 601 7.919 7.919 8.825 -0.906 18466 1296 1 2 . 1 1 103 103 LYS N N 602 126.471 126.471 127.210 -0.739 18466 1297 1 2 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.669 -0.214 18466 1298 1 2 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.452 0.247 18466 1299 1 2 . 1 1 103 103 LYS CB C 602 35.012 35.012 33.478 1.534 18466 1300 1 2 . 1 1 103 103 LYS H H 602 8.335 8.335 8.929 -0.594 18466 1301 1 2 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.407 -0.114 18466 1302 1 2 . 1 1 104 104 ASN C C 603 174.155 174.155 174.695 -0.540 18466 1303 1 2 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.139 0.608 18466 1304 1 2 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.214 -0.038 18466 1305 1 2 . 1 1 105 105 ASN N N 604 108.810 108.810 111.690 -2.880 18466 1306 1 2 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.271 -0.104 18466 1307 1 2 . 1 1 105 105 ASN C C 604 173.758 173.758 173.457 0.301 18466 1308 1 2 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.562 0.613 18466 1309 1 2 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.249 -0.042 18466 1310 1 2 . 1 1 105 105 ASN H H 604 8.680 8.680 8.424 0.256 18466 1311 1 2 . 1 1 106 106 VAL N N 605 121.572 121.572 120.499 1.073 18466 1312 1 2 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.311 -0.023 18466 1313 1 2 . 1 1 106 106 VAL C C 605 176.336 176.336 174.746 1.590 18466 1314 1 2 . 1 1 106 106 VAL CA C 605 62.139 62.139 60.474 1.665 18466 1315 1 2 . 1 1 106 106 VAL CB C 605 34.436 34.436 32.354 2.082 18466 1316 1 2 . 1 1 106 106 VAL H H 605 7.908 7.908 7.416 0.492 18466 1317 1 2 . 1 1 107 107 VAL N N 606 133.223 133.223 129.804 3.419 18466 1318 1 2 . 1 1 107 107 VAL HA H 606 4.627 4.627 4.801 -0.174 18466 1319 1 2 . 1 1 107 107 VAL C C 606 174.704 174.704 175.113 -0.409 18466 1320 1 2 . 1 1 107 107 VAL CA C 606 61.787 61.787 61.255 0.532 18466 1321 1 2 . 1 1 107 107 VAL CB C 606 32.211 32.211 33.722 -1.511 18466 1322 1 2 . 1 1 107 107 VAL H H 606 9.418 9.418 8.715 0.703 18466 1323 1 2 . 1 1 108 108 SER N N 607 120.743 120.743 123.830 -3.087 18466 1324 1 2 . 1 1 108 108 SER HA H 607 5.365 5.365 5.080 0.285 18466 1325 1 2 . 1 1 108 108 SER C C 607 171.934 171.934 172.127 -0.193 18466 1326 1 2 . 1 1 108 108 SER CA C 607 56.958 56.958 56.821 0.137 18466 1327 1 2 . 1 1 108 108 SER CB C 607 66.469 66.469 66.557 -0.088 18466 1328 1 2 . 1 1 108 108 SER H H 607 9.123 9.123 9.079 0.044 18466 1329 1 2 . 1 1 109 109 VAL N N 608 121.138 121.138 120.545 0.593 18466 1330 1 2 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.769 0.011 18466 1331 1 2 . 1 1 109 109 VAL C C 608 173.903 173.903 174.295 -0.392 18466 1332 1 2 . 1 1 109 109 VAL CA C 608 57.399 57.399 60.212 -2.813 18466 1333 1 2 . 1 1 109 109 VAL CB C 608 33.962 33.962 34.223 -0.261 18466 1334 1 2 . 1 1 109 109 VAL H H 608 9.144 9.144 8.945 0.199 18466 1335 1 2 . 1 1 110 110 ASN N N 609 128.266 128.266 127.594 0.672 18466 1336 1 2 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.324 -0.059 18466 1337 1 2 . 1 1 110 110 ASN C C 609 175.296 175.296 174.773 0.523 18466 1338 1 2 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.420 -0.412 18466 1339 1 2 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.535 -0.614 18466 1340 1 2 . 1 1 110 110 ASN H H 609 9.783 9.783 9.251 0.532 18466 1341 1 2 . 1 1 111 111 LYS N N 610 107.513 107.513 110.534 -3.021 18466 1342 1 2 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.902 -0.254 18466 1343 1 2 . 1 1 111 111 LYS C C 610 175.617 175.617 175.980 -0.363 18466 1344 1 2 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.539 -0.136 18466 1345 1 2 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.660 -1.139 18466 1346 1 2 . 1 1 111 111 LYS H H 610 8.302 8.302 8.625 -0.323 18466 1347 1 2 . 1 1 112 112 GLU N N 611 125.401 125.401 119.951 5.450 18466 1348 1 2 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.738 0.061 18466 1349 1 2 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.247 -0.341 18466 1350 1 2 . 1 1 112 112 GLU H H 611 8.565 8.565 7.446 1.119 18466 1351 1 2 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.617 0.069 18466 1352 1 2 . 1 1 113 113 PRO C C 612 177.464 177.464 176.144 1.320 18466 1353 1 2 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.312 0.351 18466 1354 1 2 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.646 -0.495 18466 1355 1 2 . 1 1 114 114 VAL N N 613 124.842 124.842 121.688 3.154 18466 1356 1 2 . 1 1 114 114 VAL HA H 613 4.284 4.284 3.870 0.414 18466 1357 1 2 . 1 1 114 114 VAL C C 613 176.520 176.520 176.345 0.175 18466 1358 1 2 . 1 1 114 114 VAL CA C 613 62.290 62.290 62.377 -0.086 18466 1359 1 2 . 1 1 114 114 VAL CB C 613 32.203 32.203 30.825 1.378 18466 1360 1 2 . 1 1 114 114 VAL H H 613 9.226 9.226 8.042 1.184 18466 1361 1 2 . 1 1 115 115 ALA N N 614 132.511 132.511 132.070 0.441 18466 1362 1 2 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.301 0.036 18466 1363 1 2 . 1 1 115 115 ALA C C 614 178.395 178.395 177.141 1.254 18466 1364 1 2 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.280 0.742 18466 1365 1 2 . 1 1 115 115 ALA CB C 614 19.663 19.663 19.957 -0.294 18466 1366 1 2 . 1 1 115 115 ALA H H 614 8.910 8.910 8.897 0.013 18466 1367 1 2 . 1 1 116 116 GLU N N 615 115.091 115.091 116.523 -1.432 18466 1368 1 2 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.774 0.099 18466 1369 1 2 . 1 1 116 116 GLU CA C 615 53.488 53.488 54.175 -0.687 18466 1370 1 2 . 1 1 116 116 GLU H H 615 6.869 6.869 7.769 -0.900 18466 1371 1 2 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.098 0.546 18466 1372 1 2 . 1 1 117 117 PRO C C 616 177.124 177.124 176.789 0.335 18466 1373 1 2 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.600 -0.562 18466 1374 1 2 . 1 1 117 117 PRO CB C 616 33.662 33.662 32.559 1.103 18466 1375 1 2 . 1 1 118 118 ASP N N 617 114.361 114.361 118.069 -3.708 18466 1376 1 2 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.252 -0.367 18466 1377 1 2 . 1 1 118 118 ASP C C 617 174.982 174.982 174.621 0.361 18466 1378 1 2 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.268 -0.393 18466 1379 1 2 . 1 1 118 118 ASP CB C 617 37.661 37.661 40.143 -2.482 18466 1380 1 2 . 1 1 118 118 ASP H H 617 9.745 9.745 8.533 1.212 18466 1381 1 2 . 1 1 119 119 ILE N N 618 121.057 121.057 121.682 -0.625 18466 1382 1 2 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.290 -0.251 18466 1383 1 2 . 1 1 119 119 ILE C C 618 175.857 175.857 174.555 1.302 18466 1384 1 2 . 1 1 119 119 ILE CA C 618 62.841 62.841 59.976 2.865 18466 1385 1 2 . 1 1 119 119 ILE CB C 618 36.496 36.496 39.297 -2.801 18466 1386 1 2 . 1 1 119 119 ILE H H 618 8.754 8.754 7.581 1.173 18466 1387 1 2 . 1 1 120 120 MET N N 619 125.664 125.664 128.634 -2.970 18466 1388 1 2 . 1 1 120 120 MET HA H 619 4.604 4.604 4.389 0.215 18466 1389 1 2 . 1 1 120 120 MET C C 619 174.825 174.825 174.938 -0.113 18466 1390 1 2 . 1 1 120 120 MET CA C 619 55.006 55.006 55.367 -0.361 18466 1391 1 2 . 1 1 120 120 MET CB C 619 31.457 31.457 33.474 -2.018 18466 1392 1 2 . 1 1 120 120 MET H H 619 8.077 8.077 8.704 -0.627 18466 1393 1 2 . 1 1 121 121 ALA N N 620 122.929 122.929 128.152 -5.223 18466 1394 1 2 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.752 0.143 18466 1395 1 2 . 1 1 121 121 ALA C C 620 177.945 177.945 176.724 1.221 18466 1396 1 2 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.781 -0.758 18466 1397 1 2 . 1 1 121 121 ALA CB C 620 23.030 23.030 21.224 1.806 18466 1398 1 2 . 1 1 121 121 ALA H H 620 8.386 8.386 8.311 0.075 18466 1399 1 2 . 1 1 122 122 THR N N 621 111.051 111.051 113.527 -2.476 18466 1400 1 2 . 1 1 122 122 THR HA H 621 4.046 4.046 4.258 -0.212 18466 1401 1 2 . 1 1 122 122 THR C C 621 176.366 176.366 174.832 1.534 18466 1402 1 2 . 1 1 122 122 THR CA C 621 64.526 64.526 64.030 0.496 18466 1403 1 2 . 1 1 122 122 THR CB C 621 68.423 68.423 69.089 -0.666 18466 1404 1 2 . 1 1 122 122 THR H H 621 9.176 9.176 8.313 0.863 18466 1405 1 2 . 1 1 123 123 ASN N N 622 117.402 117.402 116.218 1.184 18466 1406 1 2 . 1 1 123 123 ASN HA H 622 5.034 5.034 5.104 -0.070 18466 1407 1 2 . 1 1 123 123 ASN C C 622 173.258 173.258 174.619 -1.361 18466 1408 1 2 . 1 1 123 123 ASN CA C 622 51.163 51.163 51.571 -0.408 18466 1409 1 2 . 1 1 123 123 ASN CB C 622 37.038 37.038 38.528 -1.490 18466 1410 1 2 . 1 1 123 123 ASN H H 622 7.970 7.970 8.232 -0.262 18466 1411 1 2 . 1 1 124 124 GLY N N 623 102.697 102.697 107.057 -4.360 18466 1412 1 2 . 1 1 124 124 GLY C C 623 169.960 169.960 171.811 -1.851 18466 1413 1 2 . 1 1 124 124 GLY CA C 623 46.700 46.700 44.868 1.832 18466 1414 1 2 . 1 1 124 124 GLY H H 623 6.916 6.916 7.237 -0.321 18466 1415 1 2 . 1 1 125 125 VAL N N 624 120.074 120.074 118.839 1.235 18466 1416 1 2 . 1 1 125 125 VAL HA H 624 4.882 4.882 4.976 -0.094 18466 1417 1 2 . 1 1 125 125 VAL C C 624 170.860 170.860 173.560 -2.700 18466 1418 1 2 . 1 1 125 125 VAL CA C 624 58.597 58.597 59.221 -0.624 18466 1419 1 2 . 1 1 125 125 VAL CB C 624 34.915 34.915 36.238 -1.323 18466 1420 1 2 . 1 1 125 125 VAL H H 624 8.474 8.474 8.357 0.117 18466 1421 1 2 . 1 1 126 126 VAL N N 625 127.537 127.537 123.615 3.922 18466 1422 1 2 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.842 -0.201 18466 1423 1 2 . 1 1 126 126 VAL C C 625 172.913 172.913 174.113 -1.200 18466 1424 1 2 . 1 1 126 126 VAL CA C 625 60.474 60.474 59.834 0.639 18466 1425 1 2 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.061 0.077 18466 1426 1 2 . 1 1 126 126 VAL H H 625 9.093 9.093 8.460 0.633 18466 1427 1 2 . 1 1 127 127 HIS N N 626 124.236 124.236 124.492 -0.256 18466 1428 1 2 . 1 1 127 127 HIS HA H 626 5.499 5.499 4.906 0.593 18466 1429 1 2 . 1 1 127 127 HIS C C 626 175.690 175.690 174.982 0.708 18466 1430 1 2 . 1 1 127 127 HIS CA C 626 53.204 53.204 54.251 -1.047 18466 1431 1 2 . 1 1 127 127 HIS CB C 626 34.315 34.315 32.531 1.784 18466 1432 1 2 . 1 1 127 127 HIS H H 626 8.732 8.732 8.857 -0.125 18466 1433 1 2 . 1 1 128 128 VAL N N 627 124.683 124.683 126.289 -1.606 18466 1434 1 2 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.428 0.065 18466 1435 1 2 . 1 1 128 128 VAL C C 627 176.380 176.380 175.986 0.394 18466 1436 1 2 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.696 1.061 18466 1437 1 2 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.490 1.398 18466 1438 1 2 . 1 1 128 128 VAL H H 627 8.827 8.827 8.768 0.059 18466 1439 1 2 . 1 1 129 129 ILE N N 628 121.094 121.094 119.725 1.369 18466 1440 1 2 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.845 0.298 18466 1441 1 2 . 1 1 129 129 ILE C C 628 175.099 175.099 176.012 -0.913 18466 1442 1 2 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.280 0.975 18466 1443 1 2 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.428 1.185 18466 1444 1 2 . 1 1 129 129 ILE H H 628 8.650 8.650 8.842 -0.192 18466 1445 1 2 . 1 1 130 130 THR N N 629 108.406 108.406 112.400 -3.994 18466 1446 1 2 . 1 1 130 130 THR HA H 629 4.666 4.666 4.450 0.216 18466 1447 1 2 . 1 1 130 130 THR C C 629 173.079 173.079 173.977 -0.898 18466 1448 1 2 . 1 1 130 130 THR CA C 629 61.373 61.373 62.034 -0.661 18466 1449 1 2 . 1 1 130 130 THR CB C 629 68.776 68.776 69.624 -0.848 18466 1450 1 2 . 1 1 130 130 THR H H 629 9.359 9.359 8.826 0.533 18466 1451 1 2 . 1 1 131 131 ASN N N 630 117.726 117.726 116.743 0.983 18466 1452 1 2 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.911 -0.091 18466 1453 1 2 . 1 1 131 131 ASN C C 630 172.152 172.152 173.539 -1.387 18466 1454 1 2 . 1 1 131 131 ASN CA C 630 52.538 52.538 52.135 0.403 18466 1455 1 2 . 1 1 131 131 ASN CB C 630 43.071 43.071 42.308 0.763 18466 1456 1 2 . 1 1 131 131 ASN H H 630 7.404 7.404 7.675 -0.271 18466 1457 1 2 . 1 1 132 132 VAL N N 631 118.213 118.213 120.591 -2.378 18466 1458 1 2 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.205 -0.217 18466 1459 1 2 . 1 1 132 132 VAL C C 631 176.686 176.686 175.940 0.746 18466 1460 1 2 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.827 0.531 18466 1461 1 2 . 1 1 132 132 VAL CB C 631 32.611 32.611 32.665 -0.054 18466 1462 1 2 . 1 1 132 132 VAL H H 631 8.137 8.137 8.285 -0.148 18466 1463 1 2 . 1 1 133 133 LEU N N 632 132.179 132.179 129.558 2.621 18466 1464 1 2 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.216 -0.007 18466 1465 1 2 . 1 1 133 133 LEU C C 632 175.569 175.569 176.199 -0.630 18466 1466 1 2 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.975 0.240 18466 1467 1 2 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.110 0.363 18466 1468 1 2 . 1 1 133 133 LEU H H 632 10.917 10.917 8.608 2.309 18466 1469 1 2 . 1 1 134 134 GLN N N 633 115.538 115.538 123.559 -8.021 18466 1470 1 2 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.728 0.053 18466 1471 1 2 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.278 0.114 18466 1472 1 2 . 1 1 134 134 GLN H H 633 7.765 7.765 8.334 -0.569 18466 1473 1 3 . 1 1 3 3 MET C C 502 175.880 175.880 175.367 0.513 18466 1474 1 3 . 1 1 3 3 MET CA C 502 55.950 55.950 55.472 0.478 18466 1475 1 3 . 1 1 3 3 MET CB C 502 34.203 34.203 31.462 2.741 18466 1476 1 3 . 1 1 4 4 GLY N N 503 111.090 111.090 105.163 5.927 18466 1477 1 3 . 1 1 4 4 GLY C C 503 174.009 174.009 173.007 1.002 18466 1478 1 3 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.377 0.100 18466 1479 1 3 . 1 1 4 4 GLY H H 503 8.375 8.375 8.360 0.015 18466 1480 1 3 . 1 1 5 5 THR N N 504 111.543 111.543 113.164 -1.621 18466 1481 1 3 . 1 1 5 5 THR HA H 504 4.437 4.437 4.541 -0.104 18466 1482 1 3 . 1 1 5 5 THR C C 504 176.361 176.361 175.667 0.694 18466 1483 1 3 . 1 1 5 5 THR CA C 504 61.972 61.972 59.981 1.991 18466 1484 1 3 . 1 1 5 5 THR CB C 504 73.041 73.041 70.818 2.223 18466 1485 1 3 . 1 1 5 5 THR H H 504 9.227 9.227 8.160 1.067 18466 1486 1 3 . 1 1 6 6 VAL N N 505 118.236 118.236 123.292 -5.056 18466 1487 1 3 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.712 -0.459 18466 1488 1 3 . 1 1 6 6 VAL C C 505 177.287 177.287 176.708 0.579 18466 1489 1 3 . 1 1 6 6 VAL CA C 505 67.124 67.124 66.256 0.868 18466 1490 1 3 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.878 -0.381 18466 1491 1 3 . 1 1 6 6 VAL H H 505 9.896 9.896 9.475 0.421 18466 1492 1 3 . 1 1 7 7 MET N N 506 114.146 114.146 113.404 0.742 18466 1493 1 3 . 1 1 7 7 MET HA H 506 4.358 4.358 4.409 -0.051 18466 1494 1 3 . 1 1 7 7 MET C C 506 178.126 178.126 177.676 0.450 18466 1495 1 3 . 1 1 7 7 MET CA C 506 56.050 56.050 57.376 -1.326 18466 1496 1 3 . 1 1 7 7 MET CB C 506 30.608 30.608 31.927 -1.319 18466 1497 1 3 . 1 1 7 7 MET H H 506 6.970 6.970 7.967 -0.997 18466 1498 1 3 . 1 1 8 8 ASP N N 507 120.413 120.413 121.011 -0.598 18466 1499 1 3 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.641 -0.388 18466 1500 1 3 . 1 1 8 8 ASP C C 507 179.824 179.824 178.780 1.044 18466 1501 1 3 . 1 1 8 8 ASP CA C 507 58.147 58.147 56.755 1.392 18466 1502 1 3 . 1 1 8 8 ASP CB C 507 40.478 40.478 41.581 -1.103 18466 1503 1 3 . 1 1 8 8 ASP H H 507 7.433 7.433 7.763 -0.330 18466 1504 1 3 . 1 1 9 9 VAL N N 508 121.366 121.366 120.672 0.694 18466 1505 1 3 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.657 -0.092 18466 1506 1 3 . 1 1 9 9 VAL C C 508 179.112 179.112 177.646 1.466 18466 1507 1 3 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.082 0.067 18466 1508 1 3 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.774 -0.204 18466 1509 1 3 . 1 1 9 9 VAL H H 508 8.157 8.157 8.483 -0.326 18466 1510 1 3 . 1 1 10 10 LEU N N 509 117.252 117.252 118.901 -1.649 18466 1511 1 3 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.362 -0.340 18466 1512 1 3 . 1 1 10 10 LEU C C 509 179.092 179.092 178.980 0.112 18466 1513 1 3 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.142 0.202 18466 1514 1 3 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.122 0.800 18466 1515 1 3 . 1 1 10 10 LEU H H 509 7.859 7.859 7.866 -0.007 18466 1516 1 3 . 1 1 11 11 LYS N N 510 114.815 114.815 118.493 -3.678 18466 1517 1 3 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.203 -0.249 18466 1518 1 3 . 1 1 11 11 LYS C C 510 178.026 178.026 178.119 -0.093 18466 1519 1 3 . 1 1 11 11 LYS CA C 510 59.144 59.144 58.515 0.629 18466 1520 1 3 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.317 0.380 18466 1521 1 3 . 1 1 11 11 LYS H H 510 8.376 8.376 7.644 0.732 18466 1522 1 3 . 1 1 12 12 GLY N N 511 104.635 104.635 106.074 -1.439 18466 1523 1 3 . 1 1 12 12 GLY C C 511 172.558 172.558 173.919 -1.361 18466 1524 1 3 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.796 0.709 18466 1525 1 3 . 1 1 12 12 GLY H H 511 7.593 7.593 7.641 -0.048 18466 1526 1 3 . 1 1 13 13 ASP N N 512 120.111 120.111 119.512 0.599 18466 1527 1 3 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.749 0.246 18466 1528 1 3 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.841 -0.258 18466 1529 1 3 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.802 0.155 18466 1530 1 3 . 1 1 13 13 ASP H H 512 7.065 7.065 7.393 -0.328 18466 1531 1 3 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.456 -0.008 18466 1532 1 3 . 1 1 14 14 ASN C C 513 176.736 176.736 176.775 -0.039 18466 1533 1 3 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.081 0.811 18466 1534 1 3 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.527 -0.442 18466 1535 1 3 . 1 1 15 15 ARG N N 514 118.917 118.917 120.290 -1.373 18466 1536 1 3 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.283 -0.114 18466 1537 1 3 . 1 1 15 15 ARG C C 514 176.145 176.145 177.225 -1.080 18466 1538 1 3 . 1 1 15 15 ARG CA C 514 58.062 58.062 57.302 0.760 18466 1539 1 3 . 1 1 15 15 ARG CB C 514 30.666 30.666 29.968 0.699 18466 1540 1 3 . 1 1 15 15 ARG H H 514 8.581 8.581 8.393 0.188 18466 1541 1 3 . 1 1 16 16 PHE N N 515 113.226 113.226 117.712 -4.486 18466 1542 1 3 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.942 0.837 18466 1543 1 3 . 1 1 16 16 PHE C C 515 176.587 176.587 176.631 -0.044 18466 1544 1 3 . 1 1 16 16 PHE CA C 515 56.064 56.064 55.194 0.870 18466 1545 1 3 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.741 0.830 18466 1546 1 3 . 1 1 16 16 PHE H H 515 7.600 7.600 7.823 -0.223 18466 1547 1 3 . 1 1 17 17 SER N N 516 116.620 116.620 117.721 -1.101 18466 1548 1 3 . 1 1 17 17 SER HA H 516 4.049 4.049 4.132 -0.083 18466 1549 1 3 . 1 1 17 17 SER C C 516 178.564 178.564 176.115 2.449 18466 1550 1 3 . 1 1 17 17 SER CA C 516 62.683 62.683 61.969 0.714 18466 1551 1 3 . 1 1 17 17 SER CB C 516 62.150 62.150 63.153 -1.003 18466 1552 1 3 . 1 1 17 17 SER H H 516 7.532 7.532 7.562 -0.030 18466 1553 1 3 . 1 1 18 18 MET N N 517 124.356 124.356 119.934 4.422 18466 1554 1 3 . 1 1 18 18 MET HA H 517 3.991 3.991 4.144 -0.153 18466 1555 1 3 . 1 1 18 18 MET C C 517 178.066 178.066 177.945 0.121 18466 1556 1 3 . 1 1 18 18 MET CA C 517 59.462 59.462 57.617 1.845 18466 1557 1 3 . 1 1 18 18 MET CB C 517 31.596 31.596 31.454 0.142 18466 1558 1 3 . 1 1 18 18 MET H H 517 9.291 9.291 8.132 1.159 18466 1559 1 3 . 1 1 19 19 LEU N N 518 123.835 123.835 120.716 3.119 18466 1560 1 3 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.173 -0.252 18466 1561 1 3 . 1 1 19 19 LEU C C 518 178.217 178.217 178.241 -0.024 18466 1562 1 3 . 1 1 19 19 LEU CA C 518 58.140 58.140 57.897 0.243 18466 1563 1 3 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.520 -0.188 18466 1564 1 3 . 1 1 19 19 LEU H H 518 8.615 8.615 7.645 0.970 18466 1565 1 3 . 1 1 20 20 VAL N N 519 118.876 118.876 119.403 -0.527 18466 1566 1 3 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.497 -0.192 18466 1567 1 3 . 1 1 20 20 VAL C C 519 178.174 178.174 177.915 0.259 18466 1568 1 3 . 1 1 20 20 VAL CA C 519 67.850 67.850 67.006 0.844 18466 1569 1 3 . 1 1 20 20 VAL CB C 519 31.701 31.701 31.224 0.477 18466 1570 1 3 . 1 1 20 20 VAL H H 519 9.059 9.059 7.846 1.213 18466 1571 1 3 . 1 1 21 21 ALA N N 520 122.184 122.184 122.054 0.130 18466 1572 1 3 . 1 1 21 21 ALA HA H 520 4.156 4.156 4.137 0.019 18466 1573 1 3 . 1 1 21 21 ALA C C 520 180.310 180.310 179.263 1.047 18466 1574 1 3 . 1 1 21 21 ALA CA C 520 55.066 55.066 54.659 0.407 18466 1575 1 3 . 1 1 21 21 ALA CB C 520 17.806 17.806 18.311 -0.505 18466 1576 1 3 . 1 1 21 21 ALA H H 520 7.482 7.482 7.546 -0.064 18466 1577 1 3 . 1 1 22 22 ALA N N 521 123.379 123.379 122.395 0.984 18466 1578 1 3 . 1 1 22 22 ALA HA H 521 4.102 4.102 4.002 0.100 18466 1579 1 3 . 1 1 22 22 ALA C C 521 178.705 178.705 179.544 -0.839 18466 1580 1 3 . 1 1 22 22 ALA CA C 521 54.908 54.908 55.127 -0.219 18466 1581 1 3 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.279 -0.408 18466 1582 1 3 . 1 1 22 22 ALA H H 521 8.286 8.286 7.918 0.368 18466 1583 1 3 . 1 1 23 23 ILE N N 522 120.263 120.263 118.938 1.325 18466 1584 1 3 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.554 -0.250 18466 1585 1 3 . 1 1 23 23 ILE C C 522 178.025 178.025 178.039 -0.014 18466 1586 1 3 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.401 0.578 18466 1587 1 3 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.629 0.738 18466 1588 1 3 . 1 1 23 23 ILE H H 522 8.900 8.900 8.401 0.499 18466 1589 1 3 . 1 1 24 24 GLN N N 523 118.959 118.959 120.162 -1.203 18466 1590 1 3 . 1 1 24 24 GLN HA H 523 4.188 4.188 3.981 0.207 18466 1591 1 3 . 1 1 24 24 GLN C C 523 180.253 180.253 178.569 1.684 18466 1592 1 3 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.983 -0.390 18466 1593 1 3 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.778 -1.146 18466 1594 1 3 . 1 1 24 24 GLN H H 523 7.898 7.898 8.239 -0.341 18466 1595 1 3 . 1 1 25 25 SER N N 524 118.150 118.150 115.846 2.304 18466 1596 1 3 . 1 1 25 25 SER HA H 524 4.188 4.188 4.190 -0.002 18466 1597 1 3 . 1 1 25 25 SER C C 524 175.635 175.635 176.365 -0.730 18466 1598 1 3 . 1 1 25 25 SER CA C 524 61.732 61.732 61.035 0.697 18466 1599 1 3 . 1 1 25 25 SER CB C 524 63.140 63.140 63.148 -0.008 18466 1600 1 3 . 1 1 25 25 SER H H 524 8.405 8.405 8.130 0.275 18466 1601 1 3 . 1 1 26 26 ALA N N 525 119.360 119.360 121.130 -1.770 18466 1602 1 3 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.251 0.117 18466 1603 1 3 . 1 1 26 26 ALA C C 525 176.960 176.960 178.348 -1.388 18466 1604 1 3 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.840 -0.684 18466 1605 1 3 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.235 0.712 18466 1606 1 3 . 1 1 26 26 ALA H H 525 8.277 8.277 8.031 0.246 18466 1607 1 3 . 1 1 27 27 GLY N N 526 105.968 105.968 106.536 -0.568 18466 1608 1 3 . 1 1 27 27 GLY C C 526 176.602 176.602 175.113 1.489 18466 1609 1 3 . 1 1 27 27 GLY CA C 526 46.475 46.475 44.979 1.496 18466 1610 1 3 . 1 1 27 27 GLY H H 526 7.789 7.789 7.853 -0.064 18466 1611 1 3 . 1 1 28 28 LEU N N 527 118.466 118.466 118.891 -0.425 18466 1612 1 3 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.683 -0.230 18466 1613 1 3 . 1 1 28 28 LEU C C 527 175.805 175.805 177.358 -1.553 18466 1614 1 3 . 1 1 28 28 LEU CA C 527 54.816 54.816 54.036 0.780 18466 1615 1 3 . 1 1 28 28 LEU CB C 527 45.181 45.181 40.474 4.707 18466 1616 1 3 . 1 1 28 28 LEU H H 527 8.088 8.088 8.018 0.070 18466 1617 1 3 . 1 1 29 29 THR N N 528 118.037 118.037 115.329 2.708 18466 1618 1 3 . 1 1 29 29 THR HA H 528 3.539 3.539 3.960 -0.421 18466 1619 1 3 . 1 1 29 29 THR C C 528 175.526 175.526 175.341 0.185 18466 1620 1 3 . 1 1 29 29 THR CA C 528 66.828 66.828 65.989 0.840 18466 1621 1 3 . 1 1 29 29 THR CB C 528 68.754 68.754 68.515 0.239 18466 1622 1 3 . 1 1 29 29 THR H H 528 7.593 7.593 8.137 -0.544 18466 1623 1 3 . 1 1 30 30 GLU N N 529 117.711 117.711 118.786 -1.075 18466 1624 1 3 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.140 -0.168 18466 1625 1 3 . 1 1 30 30 GLU C C 529 179.395 179.395 179.066 0.329 18466 1626 1 3 . 1 1 30 30 GLU CA C 529 59.788 59.788 59.090 0.698 18466 1627 1 3 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.854 -0.396 18466 1628 1 3 . 1 1 30 30 GLU H H 529 8.304 8.304 8.691 -0.387 18466 1629 1 3 . 1 1 31 31 THR N N 530 116.155 116.155 115.921 0.234 18466 1630 1 3 . 1 1 31 31 THR HA H 530 3.756 3.756 4.072 -0.316 18466 1631 1 3 . 1 1 31 31 THR C C 530 175.838 175.838 175.736 0.102 18466 1632 1 3 . 1 1 31 31 THR CA C 530 67.156 67.156 65.974 1.182 18466 1633 1 3 . 1 1 31 31 THR CB C 530 69.159 69.159 68.798 0.361 18466 1634 1 3 . 1 1 31 31 THR H H 530 7.692 7.692 7.607 0.085 18466 1635 1 3 . 1 1 32 32 LEU N N 531 116.655 116.655 118.115 -1.460 18466 1636 1 3 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.015 -0.094 18466 1637 1 3 . 1 1 32 32 LEU C C 531 176.177 176.177 176.518 -0.341 18466 1638 1 3 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.648 0.905 18466 1639 1 3 . 1 1 32 32 LEU CB C 531 41.533 41.533 40.154 1.379 18466 1640 1 3 . 1 1 32 32 LEU H H 531 7.103 7.103 7.412 -0.309 18466 1641 1 3 . 1 1 33 33 ASN N N 532 118.711 118.711 117.816 0.895 18466 1642 1 3 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.598 0.378 18466 1643 1 3 . 1 1 33 33 ASN C C 532 174.819 174.819 175.332 -0.513 18466 1644 1 3 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.983 -1.863 18466 1645 1 3 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.703 1.286 18466 1646 1 3 . 1 1 33 33 ASN H H 532 7.735 7.735 7.424 0.311 18466 1647 1 3 . 1 1 34 34 ARG N N 533 119.777 119.777 121.444 -1.667 18466 1648 1 3 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.403 0.126 18466 1649 1 3 . 1 1 34 34 ARG C C 533 175.340 175.340 175.440 -0.100 18466 1650 1 3 . 1 1 34 34 ARG CA C 533 55.624 55.624 55.429 0.195 18466 1651 1 3 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.268 1.536 18466 1652 1 3 . 1 1 34 34 ARG H H 533 7.287 7.287 7.401 -0.114 18466 1653 1 3 . 1 1 35 35 GLU N N 534 120.198 120.198 123.135 -2.937 18466 1654 1 3 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.344 -0.109 18466 1655 1 3 . 1 1 35 35 GLU C C 534 176.305 176.305 175.816 0.489 18466 1656 1 3 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.547 1.192 18466 1657 1 3 . 1 1 35 35 GLU CB C 534 29.694 29.694 30.323 -0.629 18466 1658 1 3 . 1 1 35 35 GLU H H 534 8.517 8.517 8.508 0.009 18466 1659 1 3 . 1 1 36 36 GLY N N 535 111.018 111.018 111.135 -0.117 18466 1660 1 3 . 1 1 36 36 GLY C C 535 170.570 170.570 172.277 -1.707 18466 1661 1 3 . 1 1 36 36 GLY CA C 535 44.825 44.825 45.056 -0.231 18466 1662 1 3 . 1 1 36 36 GLY H H 535 7.955 7.955 8.506 -0.551 18466 1663 1 3 . 1 1 37 37 VAL N N 536 114.867 114.867 118.784 -3.917 18466 1664 1 3 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.564 -0.436 18466 1665 1 3 . 1 1 37 37 VAL C C 536 173.020 173.020 173.763 -0.743 18466 1666 1 3 . 1 1 37 37 VAL CA C 536 59.407 59.407 59.700 -0.293 18466 1667 1 3 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.771 -0.089 18466 1668 1 3 . 1 1 37 37 VAL H H 536 7.198 7.198 7.772 -0.574 18466 1669 1 3 . 1 1 38 38 TYR N N 537 117.363 117.363 121.506 -4.143 18466 1670 1 3 . 1 1 38 38 TYR HA H 537 5.199 5.199 5.003 0.196 18466 1671 1 3 . 1 1 38 38 TYR C C 537 176.278 176.278 174.819 1.459 18466 1672 1 3 . 1 1 38 38 TYR CA C 537 56.770 56.770 56.927 -0.157 18466 1673 1 3 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.679 -0.135 18466 1674 1 3 . 1 1 38 38 TYR H H 537 7.507 7.507 8.273 -0.766 18466 1675 1 3 . 1 1 39 39 THR N N 538 117.120 117.120 119.162 -2.042 18466 1676 1 3 . 1 1 39 39 THR HA H 538 4.781 4.781 4.813 -0.032 18466 1677 1 3 . 1 1 39 39 THR C C 538 173.406 173.406 172.784 0.622 18466 1678 1 3 . 1 1 39 39 THR CA C 538 62.197 62.197 62.085 0.112 18466 1679 1 3 . 1 1 39 39 THR CB C 538 70.922 70.922 69.913 1.009 18466 1680 1 3 . 1 1 39 39 THR H H 538 7.906 7.906 8.625 -0.719 18466 1681 1 3 . 1 1 40 40 VAL N N 539 126.768 126.768 127.270 -0.502 18466 1682 1 3 . 1 1 40 40 VAL HA H 539 4.603 4.603 5.312 -0.709 18466 1683 1 3 . 1 1 40 40 VAL C C 539 174.038 174.038 173.488 0.550 18466 1684 1 3 . 1 1 40 40 VAL CA C 539 61.168 61.168 58.755 2.413 18466 1685 1 3 . 1 1 40 40 VAL CB C 539 33.995 33.995 34.503 -0.508 18466 1686 1 3 . 1 1 40 40 VAL H H 539 9.154 9.154 7.838 1.316 18466 1687 1 3 . 1 1 41 41 PHE N N 540 128.517 128.517 128.978 -0.461 18466 1688 1 3 . 1 1 41 41 PHE HA H 540 5.331 5.331 4.942 0.389 18466 1689 1 3 . 1 1 41 41 PHE C C 540 173.429 173.429 175.227 -1.798 18466 1690 1 3 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.937 0.745 18466 1691 1 3 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.224 -0.775 18466 1692 1 3 . 1 1 41 41 PHE H H 540 9.087 9.087 8.457 0.630 18466 1693 1 3 . 1 1 42 42 ALA N N 541 125.981 125.981 129.531 -3.550 18466 1694 1 3 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.722 -0.139 18466 1695 1 3 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.419 -0.423 18466 1696 1 3 . 1 1 42 42 ALA CB C 541 23.007 23.007 18.944 4.063 18466 1697 1 3 . 1 1 42 42 ALA H H 541 8.666 8.666 8.280 0.386 18466 1698 1 3 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.167 -0.150 18466 1699 1 3 . 1 1 43 43 PRO C C 542 177.809 177.809 177.467 0.342 18466 1700 1 3 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.167 -1.088 18466 1701 1 3 . 1 1 43 43 PRO CB C 542 31.835 31.835 31.748 0.087 18466 1702 1 3 . 1 1 44 44 THR N N 543 112.053 112.053 115.104 -3.051 18466 1703 1 3 . 1 1 44 44 THR HA H 543 4.464 4.464 4.686 -0.222 18466 1704 1 3 . 1 1 44 44 THR C C 543 176.413 176.413 176.421 -0.008 18466 1705 1 3 . 1 1 44 44 THR CA C 543 60.762 60.762 60.476 0.286 18466 1706 1 3 . 1 1 44 44 THR CB C 543 71.542 71.542 70.344 1.198 18466 1707 1 3 . 1 1 44 44 THR H H 543 7.731 7.731 8.736 -1.005 18466 1708 1 3 . 1 1 45 45 ASN N N 544 119.183 119.183 118.205 0.978 18466 1709 1 3 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.659 0.041 18466 1710 1 3 . 1 1 45 45 ASN C C 544 178.324 178.324 177.571 0.753 18466 1711 1 3 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.282 0.024 18466 1712 1 3 . 1 1 45 45 ASN CB C 544 37.206 37.206 37.702 -0.496 18466 1713 1 3 . 1 1 45 45 ASN H H 544 8.883 8.883 8.967 -0.084 18466 1714 1 3 . 1 1 46 46 GLU N N 545 118.549 118.549 119.974 -1.425 18466 1715 1 3 . 1 1 46 46 GLU C C 545 178.200 178.200 178.155 0.045 18466 1716 1 3 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.781 0.155 18466 1717 1 3 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.692 0.655 18466 1718 1 3 . 1 1 46 46 GLU H H 545 8.283 8.283 8.890 -0.607 18466 1719 1 3 . 1 1 47 47 ALA N N 546 122.120 122.120 122.012 0.108 18466 1720 1 3 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.125 -0.081 18466 1721 1 3 . 1 1 47 47 ALA C C 546 180.432 180.432 179.135 1.297 18466 1722 1 3 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.546 0.523 18466 1723 1 3 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.504 1.089 18466 1724 1 3 . 1 1 47 47 ALA H H 546 7.485 7.485 7.336 0.149 18466 1725 1 3 . 1 1 48 48 PHE N N 547 115.213 115.213 116.528 -1.315 18466 1726 1 3 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.242 -0.196 18466 1727 1 3 . 1 1 48 48 PHE C C 547 179.098 179.098 177.633 1.465 18466 1728 1 3 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.739 0.366 18466 1729 1 3 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.797 0.961 18466 1730 1 3 . 1 1 48 48 PHE H H 547 7.363 7.363 7.634 -0.271 18466 1731 1 3 . 1 1 49 49 ARG N N 548 118.451 118.451 117.196 1.255 18466 1732 1 3 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.233 -0.244 18466 1733 1 3 . 1 1 49 49 ARG C C 548 176.382 176.382 176.967 -0.585 18466 1734 1 3 . 1 1 49 49 ARG CA C 548 58.915 58.915 57.501 1.414 18466 1735 1 3 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.494 -0.344 18466 1736 1 3 . 1 1 49 49 ARG H H 548 8.266 8.266 8.059 0.207 18466 1737 1 3 . 1 1 50 50 ALA N N 549 118.978 118.978 120.691 -1.713 18466 1738 1 3 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.335 -0.056 18466 1739 1 3 . 1 1 50 50 ALA C C 549 178.745 178.745 177.676 1.069 18466 1740 1 3 . 1 1 50 50 ALA CA C 549 52.652 52.652 52.404 0.248 18466 1741 1 3 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.375 -0.428 18466 1742 1 3 . 1 1 50 50 ALA H H 549 7.416 7.416 7.511 -0.095 18466 1743 1 3 . 1 1 51 51 LEU N N 550 119.842 119.842 121.206 -1.364 18466 1744 1 3 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.463 0.068 18466 1745 1 3 . 1 1 51 51 LEU CA C 550 53.313 53.313 52.860 0.453 18466 1746 1 3 . 1 1 51 51 LEU CB C 550 42.418 42.418 42.107 0.311 18466 1747 1 3 . 1 1 51 51 LEU H H 550 7.138 7.138 7.317 -0.179 18466 1748 1 3 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.747 0.042 18466 1749 1 3 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.378 0.406 18466 1750 1 3 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.511 -0.169 18466 1751 1 3 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.190 -0.075 18466 1752 1 3 . 1 1 53 53 PRO CA C 552 66.346 66.346 66.004 0.342 18466 1753 1 3 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.982 1.401 18466 1754 1 3 . 1 1 54 54 ARG C C 553 179.024 179.024 178.452 0.572 18466 1755 1 3 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.325 0.129 18466 1756 1 3 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.644 0.050 18466 1757 1 3 . 1 1 55 55 GLU N N 554 119.712 119.712 118.593 1.119 18466 1758 1 3 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.024 0.342 18466 1759 1 3 . 1 1 55 55 GLU C C 554 178.437 178.437 179.138 -0.701 18466 1760 1 3 . 1 1 55 55 GLU CA C 554 58.362 58.362 59.701 -1.339 18466 1761 1 3 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.421 0.306 18466 1762 1 3 . 1 1 55 55 GLU H H 554 7.526 7.526 7.856 -0.330 18466 1763 1 3 . 1 1 56 56 ARG N N 555 120.112 120.112 118.961 1.151 18466 1764 1 3 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.097 -0.252 18466 1765 1 3 . 1 1 56 56 ARG C C 555 177.902 177.902 178.956 -1.054 18466 1766 1 3 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.263 1.099 18466 1767 1 3 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.917 0.378 18466 1768 1 3 . 1 1 56 56 ARG H H 555 8.452 8.452 8.333 0.119 18466 1769 1 3 . 1 1 57 57 SER N N 556 111.829 111.829 116.119 -4.290 18466 1770 1 3 . 1 1 57 57 SER HA H 556 4.138 4.138 4.256 -0.118 18466 1771 1 3 . 1 1 57 57 SER C C 556 177.151 177.151 175.499 1.652 18466 1772 1 3 . 1 1 57 57 SER CA C 556 61.661 61.661 62.002 -0.341 18466 1773 1 3 . 1 1 57 57 SER CB C 556 62.874 62.874 62.896 -0.022 18466 1774 1 3 . 1 1 57 57 SER H H 556 8.200 8.200 8.347 -0.147 18466 1775 1 3 . 1 1 58 58 ARG N N 557 122.459 122.459 121.688 0.771 18466 1776 1 3 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.135 -0.067 18466 1777 1 3 . 1 1 58 58 ARG C C 557 178.190 178.190 179.084 -0.894 18466 1778 1 3 . 1 1 58 58 ARG CA C 557 59.121 59.121 58.898 0.223 18466 1779 1 3 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.397 0.111 18466 1780 1 3 . 1 1 58 58 ARG H H 557 7.589 7.589 7.509 0.080 18466 1781 1 3 . 1 1 59 59 LEU N N 558 117.826 117.826 121.794 -3.968 18466 1782 1 3 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.129 -0.020 18466 1783 1 3 . 1 1 59 59 LEU C C 558 177.217 177.217 178.391 -1.174 18466 1784 1 3 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.862 -0.084 18466 1785 1 3 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.264 0.164 18466 1786 1 3 . 1 1 59 59 LEU H H 558 8.034 8.034 8.306 -0.272 18466 1787 1 3 . 1 1 60 60 LEU N N 559 112.187 112.187 117.288 -5.101 18466 1788 1 3 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.331 -0.120 18466 1789 1 3 . 1 1 60 60 LEU C C 559 179.037 179.037 178.073 0.964 18466 1790 1 3 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.479 0.771 18466 1791 1 3 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.205 -0.019 18466 1792 1 3 . 1 1 60 60 LEU H H 559 7.844 7.844 7.989 -0.145 18466 1793 1 3 . 1 1 61 61 GLY N N 560 104.550 104.550 106.987 -2.437 18466 1794 1 3 . 1 1 61 61 GLY C C 560 173.292 173.292 173.916 -0.624 18466 1795 1 3 . 1 1 61 61 GLY CA C 560 45.525 45.525 44.972 0.553 18466 1796 1 3 . 1 1 61 61 GLY H H 560 7.565 7.565 7.642 -0.077 18466 1797 1 3 . 1 1 62 62 ASP N N 561 120.720 120.720 120.051 0.669 18466 1798 1 3 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.816 0.080 18466 1799 1 3 . 1 1 62 62 ASP C C 561 174.791 174.791 175.502 -0.711 18466 1800 1 3 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.474 -0.917 18466 1801 1 3 . 1 1 62 62 ASP CB C 561 42.146 42.146 43.458 -1.312 18466 1802 1 3 . 1 1 62 62 ASP H H 561 7.255 7.255 7.482 -0.227 18466 1803 1 3 . 1 1 63 63 ALA N N 562 126.814 126.814 127.318 -0.504 18466 1804 1 3 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.113 -0.072 18466 1805 1 3 . 1 1 63 63 ALA C C 562 180.100 180.100 178.662 1.438 18466 1806 1 3 . 1 1 63 63 ALA CA C 562 55.682 55.682 54.639 1.043 18466 1807 1 3 . 1 1 63 63 ALA CB C 562 18.903 18.903 19.344 -0.441 18466 1808 1 3 . 1 1 63 63 ALA H H 562 8.674 8.674 8.725 -0.051 18466 1809 1 3 . 1 1 64 64 LYS N N 563 118.169 118.169 118.847 -0.678 18466 1810 1 3 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.015 0.142 18466 1811 1 3 . 1 1 64 64 LYS C C 563 179.513 179.513 178.137 1.376 18466 1812 1 3 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.547 -0.143 18466 1813 1 3 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.551 -0.585 18466 1814 1 3 . 1 1 64 64 LYS H H 563 8.143 8.143 8.928 -0.785 18466 1815 1 3 . 1 1 65 65 GLU N N 564 121.540 121.540 119.461 2.079 18466 1816 1 3 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.062 0.203 18466 1817 1 3 . 1 1 65 65 GLU C C 564 179.400 179.400 179.122 0.278 18466 1818 1 3 . 1 1 65 65 GLU CA C 564 58.381 58.381 58.920 -0.539 18466 1819 1 3 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.060 0.202 18466 1820 1 3 . 1 1 65 65 GLU H H 564 7.812 7.812 7.836 -0.024 18466 1821 1 3 . 1 1 66 66 LEU N N 565 120.816 120.816 120.245 0.571 18466 1822 1 3 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.981 0.133 18466 1823 1 3 . 1 1 66 66 LEU C C 565 178.632 178.632 178.931 -0.299 18466 1824 1 3 . 1 1 66 66 LEU CA C 565 58.006 58.006 57.926 0.080 18466 1825 1 3 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.459 -0.058 18466 1826 1 3 . 1 1 66 66 LEU H H 565 8.757 8.757 7.606 1.151 18466 1827 1 3 . 1 1 67 67 ALA N N 566 118.909 118.909 120.952 -2.043 18466 1828 1 3 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.892 0.024 18466 1829 1 3 . 1 1 67 67 ALA C C 566 178.874 178.874 179.599 -0.725 18466 1830 1 3 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.320 0.647 18466 1831 1 3 . 1 1 67 67 ALA CB C 566 18.119 18.119 17.982 0.137 18466 1832 1 3 . 1 1 67 67 ALA H H 566 8.058 8.058 8.079 -0.021 18466 1833 1 3 . 1 1 68 68 ASN N N 567 115.314 115.314 116.708 -1.394 18466 1834 1 3 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.570 -0.128 18466 1835 1 3 . 1 1 68 68 ASN C C 567 176.598 176.598 177.596 -0.998 18466 1836 1 3 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.092 1.054 18466 1837 1 3 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.796 0.236 18466 1838 1 3 . 1 1 68 68 ASN H H 567 7.478 7.478 8.231 -0.753 18466 1839 1 3 . 1 1 69 69 ILE N N 568 117.111 117.111 119.682 -2.571 18466 1840 1 3 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.943 0.053 18466 1841 1 3 . 1 1 69 69 ILE C C 568 179.707 179.707 177.943 1.764 18466 1842 1 3 . 1 1 69 69 ILE CA C 568 63.604 63.604 63.266 0.338 18466 1843 1 3 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.449 -0.021 18466 1844 1 3 . 1 1 69 69 ILE H H 568 8.027 8.027 7.932 0.095 18466 1845 1 3 . 1 1 70 70 LEU N N 569 121.388 121.388 121.376 0.012 18466 1846 1 3 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.036 0.064 18466 1847 1 3 . 1 1 70 70 LEU C C 569 179.729 179.729 179.169 0.560 18466 1848 1 3 . 1 1 70 70 LEU CA C 569 58.592 58.592 58.224 0.368 18466 1849 1 3 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.510 0.404 18466 1850 1 3 . 1 1 70 70 LEU H H 569 8.985 8.985 8.544 0.441 18466 1851 1 3 . 1 1 71 71 LYS N N 570 116.226 116.226 117.329 -1.103 18466 1852 1 3 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.073 -0.135 18466 1853 1 3 . 1 1 71 71 LYS C C 570 177.620 177.620 178.186 -0.566 18466 1854 1 3 . 1 1 71 71 LYS CA C 570 60.800 60.800 58.895 1.905 18466 1855 1 3 . 1 1 71 71 LYS CB C 570 32.441 32.441 31.997 0.444 18466 1856 1 3 . 1 1 71 71 LYS H H 570 8.525 8.525 8.437 0.088 18466 1857 1 3 . 1 1 72 72 TYR N N 571 120.076 120.076 119.725 0.351 18466 1858 1 3 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.501 0.123 18466 1859 1 3 . 1 1 72 72 TYR C C 571 171.915 171.915 176.431 -4.516 18466 1860 1 3 . 1 1 72 72 TYR CA C 571 58.886 58.886 58.969 -0.083 18466 1861 1 3 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.815 -0.052 18466 1862 1 3 . 1 1 72 72 TYR H H 571 7.624 7.624 7.792 -0.168 18466 1863 1 3 . 1 1 73 73 HIS N N 572 108.895 108.895 117.051 -8.156 18466 1864 1 3 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.582 -0.391 18466 1865 1 3 . 1 1 73 73 HIS C C 572 173.852 173.852 174.563 -0.711 18466 1866 1 3 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.782 0.088 18466 1867 1 3 . 1 1 73 73 HIS CB C 572 28.158 28.158 31.141 -2.983 18466 1868 1 3 . 1 1 73 73 HIS H H 572 7.532 7.532 7.784 -0.252 18466 1869 1 3 . 1 1 74 74 ILE N N 573 117.580 117.580 120.375 -2.795 18466 1870 1 3 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.312 0.897 18466 1871 1 3 . 1 1 74 74 ILE C C 573 175.691 175.691 174.929 0.762 18466 1872 1 3 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.741 -1.114 18466 1873 1 3 . 1 1 74 74 ILE CB C 573 40.690 40.690 38.205 2.485 18466 1874 1 3 . 1 1 74 74 ILE H H 573 7.310 7.310 7.742 -0.432 18466 1875 1 3 . 1 1 75 75 GLY N N 574 111.704 111.704 113.955 -2.251 18466 1876 1 3 . 1 1 75 75 GLY C C 574 173.963 173.963 173.996 -0.033 18466 1877 1 3 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.769 0.166 18466 1878 1 3 . 1 1 75 75 GLY H H 574 10.187 10.187 9.058 1.129 18466 1879 1 3 . 1 1 76 76 ASP N N 575 120.565 120.565 120.309 0.256 18466 1880 1 3 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.601 0.167 18466 1881 1 3 . 1 1 76 76 ASP C C 575 174.774 174.774 175.372 -0.598 18466 1882 1 3 . 1 1 76 76 ASP CA C 575 53.727 53.727 55.014 -1.287 18466 1883 1 3 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.806 -0.970 18466 1884 1 3 . 1 1 76 76 ASP H H 575 8.356 8.356 8.774 -0.418 18466 1885 1 3 . 1 1 77 77 GLU N N 576 114.303 114.303 115.190 -0.887 18466 1886 1 3 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.460 0.011 18466 1887 1 3 . 1 1 77 77 GLU C C 576 175.374 175.374 174.807 0.567 18466 1888 1 3 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.116 0.371 18466 1889 1 3 . 1 1 77 77 GLU CB C 576 33.319 33.319 33.118 0.201 18466 1890 1 3 . 1 1 77 77 GLU H H 576 7.271 7.271 7.805 -0.534 18466 1891 1 3 . 1 1 78 78 ILE N N 577 120.967 120.967 122.824 -1.857 18466 1892 1 3 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.858 -1.281 18466 1893 1 3 . 1 1 78 78 ILE C C 577 174.824 174.824 175.573 -0.749 18466 1894 1 3 . 1 1 78 78 ILE CA C 577 62.328 62.328 60.484 1.844 18466 1895 1 3 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.591 -0.181 18466 1896 1 3 . 1 1 78 78 ILE H H 577 8.498 8.498 8.546 -0.048 18466 1897 1 3 . 1 1 79 79 LEU N N 578 132.772 132.772 131.403 1.369 18466 1898 1 3 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.810 -0.038 18466 1899 1 3 . 1 1 79 79 LEU C C 578 174.159 174.159 175.443 -1.284 18466 1900 1 3 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.510 0.387 18466 1901 1 3 . 1 1 79 79 LEU CB C 578 44.049 44.049 42.442 1.607 18466 1902 1 3 . 1 1 79 79 LEU H H 578 7.992 7.992 8.220 -0.228 18466 1903 1 3 . 1 1 80 80 VAL N N 579 118.382 118.382 120.854 -2.472 18466 1904 1 3 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.717 0.054 18466 1905 1 3 . 1 1 80 80 VAL C C 579 178.418 178.418 176.823 1.595 18466 1906 1 3 . 1 1 80 80 VAL CA C 579 59.503 59.503 59.922 -0.419 18466 1907 1 3 . 1 1 80 80 VAL CB C 579 33.434 33.434 33.464 -0.030 18466 1908 1 3 . 1 1 80 80 VAL H H 579 7.954 7.954 8.335 -0.381 18466 1909 1 3 . 1 1 81 81 SER N N 580 121.875 121.875 117.965 3.910 18466 1910 1 3 . 1 1 81 81 SER HA H 580 3.838 3.838 4.141 -0.303 18466 1911 1 3 . 1 1 81 81 SER C C 580 177.145 177.145 176.380 0.765 18466 1912 1 3 . 1 1 81 81 SER CA C 580 62.909 62.909 62.832 0.077 18466 1913 1 3 . 1 1 81 81 SER CB C 580 62.215 62.215 63.085 -0.870 18466 1914 1 3 . 1 1 81 81 SER H H 580 11.083 11.083 9.449 1.634 18466 1915 1 3 . 1 1 82 82 GLY N N 581 107.458 107.458 105.450 2.008 18466 1916 1 3 . 1 1 82 82 GLY C C 581 174.750 174.750 174.652 0.098 18466 1917 1 3 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.270 0.668 18466 1918 1 3 . 1 1 82 82 GLY H H 581 8.277 8.277 8.234 0.043 18466 1919 1 3 . 1 1 83 83 GLY N N 582 107.852 107.852 108.919 -1.067 18466 1920 1 3 . 1 1 83 83 GLY C C 582 174.378 174.378 175.556 -1.178 18466 1921 1 3 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.600 -0.074 18466 1922 1 3 . 1 1 83 83 GLY H H 582 8.246 8.246 7.817 0.429 18466 1923 1 3 . 1 1 84 84 ILE N N 583 120.968 120.968 121.867 -0.899 18466 1924 1 3 . 1 1 84 84 ILE HA H 583 3.817 3.817 3.604 0.213 18466 1925 1 3 . 1 1 84 84 ILE C C 583 175.640 175.640 177.521 -1.881 18466 1926 1 3 . 1 1 84 84 ILE CA C 583 62.947 62.947 64.763 -1.816 18466 1927 1 3 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.258 0.830 18466 1928 1 3 . 1 1 84 84 ILE H H 583 7.306 7.306 8.193 -0.887 18466 1929 1 3 . 1 1 85 85 GLY N N 584 112.093 112.093 106.503 5.590 18466 1930 1 3 . 1 1 85 85 GLY C C 584 173.086 173.086 173.751 -0.665 18466 1931 1 3 . 1 1 85 85 GLY CA C 584 45.544 45.544 46.444 -0.900 18466 1932 1 3 . 1 1 85 85 GLY H H 584 7.947 7.947 8.145 -0.198 18466 1933 1 3 . 1 1 86 86 ALA N N 585 125.044 125.044 123.313 1.731 18466 1934 1 3 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.993 -0.679 18466 1935 1 3 . 1 1 86 86 ALA C C 585 177.355 177.355 175.347 2.008 18466 1936 1 3 . 1 1 86 86 ALA CA C 585 54.149 54.149 51.704 2.445 18466 1937 1 3 . 1 1 86 86 ALA CB C 585 19.671 19.671 21.993 -2.322 18466 1938 1 3 . 1 1 86 86 ALA H H 585 8.295 8.295 8.068 0.227 18466 1939 1 3 . 1 1 87 87 LEU N N 586 118.525 118.525 119.682 -1.157 18466 1940 1 3 . 1 1 87 87 LEU HA H 586 4.713 4.713 5.152 -0.439 18466 1941 1 3 . 1 1 87 87 LEU C C 586 175.568 175.568 174.875 0.693 18466 1942 1 3 . 1 1 87 87 LEU CA C 586 56.164 56.164 55.058 1.106 18466 1943 1 3 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.878 -2.183 18466 1944 1 3 . 1 1 87 87 LEU H H 586 7.804 7.804 8.118 -0.314 18466 1945 1 3 . 1 1 88 88 VAL N N 587 128.017 128.017 126.551 1.466 18466 1946 1 3 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.420 -0.117 18466 1947 1 3 . 1 1 88 88 VAL C C 587 174.137 174.137 174.389 -0.252 18466 1948 1 3 . 1 1 88 88 VAL CA C 587 61.394 61.394 61.190 0.204 18466 1949 1 3 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.762 -0.047 18466 1950 1 3 . 1 1 88 88 VAL H H 587 9.514 9.514 9.265 0.249 18466 1951 1 3 . 1 1 89 89 ARG N N 588 125.361 125.361 126.741 -1.380 18466 1952 1 3 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.622 0.642 18466 1953 1 3 . 1 1 89 89 ARG C C 588 174.993 174.993 175.539 -0.546 18466 1954 1 3 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.842 -1.075 18466 1955 1 3 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.532 -0.398 18466 1956 1 3 . 1 1 89 89 ARG H H 588 8.616 8.616 8.587 0.029 18466 1957 1 3 . 1 1 90 90 LEU N N 589 128.011 128.011 128.146 -0.135 18466 1958 1 3 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.563 0.005 18466 1959 1 3 . 1 1 90 90 LEU C C 589 174.937 174.937 175.065 -0.128 18466 1960 1 3 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.533 -0.364 18466 1961 1 3 . 1 1 90 90 LEU CB C 589 46.013 46.013 43.954 2.059 18466 1962 1 3 . 1 1 90 90 LEU H H 589 8.814 8.814 9.145 -0.331 18466 1963 1 3 . 1 1 91 91 LYS N N 590 129.467 129.467 127.598 1.869 18466 1964 1 3 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.856 -0.828 18466 1965 1 3 . 1 1 91 91 LYS C C 590 174.523 174.523 176.307 -1.784 18466 1966 1 3 . 1 1 91 91 LYS CA C 590 58.450 58.450 55.664 2.786 18466 1967 1 3 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.011 -0.613 18466 1968 1 3 . 1 1 91 91 LYS H H 590 9.414 9.414 8.625 0.789 18466 1969 1 3 . 1 1 92 92 SER N N 591 121.877 121.877 118.501 3.376 18466 1970 1 3 . 1 1 92 92 SER HA H 591 5.622 5.622 4.996 0.626 18466 1971 1 3 . 1 1 92 92 SER C C 591 178.072 178.072 176.213 1.859 18466 1972 1 3 . 1 1 92 92 SER CA C 591 58.281 58.281 56.639 1.643 18466 1973 1 3 . 1 1 92 92 SER CB C 591 67.446 67.446 65.899 1.547 18466 1974 1 3 . 1 1 92 92 SER H H 591 7.965 7.965 8.938 -0.973 18466 1975 1 3 . 1 1 93 93 LEU N N 592 121.378 121.378 120.902 0.476 18466 1976 1 3 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.202 0.101 18466 1977 1 3 . 1 1 93 93 LEU C C 592 178.509 178.509 178.251 0.258 18466 1978 1 3 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.391 -0.127 18466 1979 1 3 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.374 0.017 18466 1980 1 3 . 1 1 93 93 LEU H H 592 9.327 9.327 8.650 0.677 18466 1981 1 3 . 1 1 94 94 GLN N N 593 119.354 119.354 116.572 2.782 18466 1982 1 3 . 1 1 94 94 GLN C C 593 176.197 176.197 177.117 -0.920 18466 1983 1 3 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.385 -0.887 18466 1984 1 3 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.774 -2.495 18466 1985 1 3 . 1 1 94 94 GLN H H 593 7.526 7.526 7.807 -0.281 18466 1986 1 3 . 1 1 95 95 GLY N N 594 109.497 109.497 107.999 1.498 18466 1987 1 3 . 1 1 95 95 GLY C C 594 174.379 174.379 174.038 0.341 18466 1988 1 3 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.745 0.723 18466 1989 1 3 . 1 1 95 95 GLY H H 594 7.632 7.632 8.048 -0.416 18466 1990 1 3 . 1 1 96 96 ASP N N 595 121.403 121.403 121.477 -0.074 18466 1991 1 3 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.789 0.111 18466 1992 1 3 . 1 1 96 96 ASP C C 595 177.399 177.399 174.783 2.616 18466 1993 1 3 . 1 1 96 96 ASP CA C 595 54.569 54.569 53.803 0.766 18466 1994 1 3 . 1 1 96 96 ASP CB C 595 41.291 41.291 43.250 -1.959 18466 1995 1 3 . 1 1 96 96 ASP H H 595 8.835 8.835 7.973 0.862 18466 1996 1 3 . 1 1 97 97 LYS N N 596 119.362 119.362 119.622 -0.260 18466 1997 1 3 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.901 0.143 18466 1998 1 3 . 1 1 97 97 LYS C C 596 176.620 176.620 175.945 0.675 18466 1999 1 3 . 1 1 97 97 LYS CA C 596 56.128 56.128 55.240 0.888 18466 2000 1 3 . 1 1 97 97 LYS CB C 596 33.880 33.880 34.187 -0.307 18466 2001 1 3 . 1 1 97 97 LYS H H 596 9.018 9.018 8.485 0.533 18466 2002 1 3 . 1 1 98 98 LEU N N 597 125.543 125.543 127.098 -1.555 18466 2003 1 3 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.468 -0.114 18466 2004 1 3 . 1 1 98 98 LEU C C 597 176.218 176.218 176.234 -0.016 18466 2005 1 3 . 1 1 98 98 LEU CA C 597 53.937 53.937 54.070 -0.133 18466 2006 1 3 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.527 2.587 18466 2007 1 3 . 1 1 98 98 LEU H H 597 9.304 9.304 9.231 0.073 18466 2008 1 3 . 1 1 99 99 GLU N N 598 121.122 121.122 125.633 -4.511 18466 2009 1 3 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.456 0.182 18466 2010 1 3 . 1 1 99 99 GLU C C 598 175.099 175.099 175.692 -0.593 18466 2011 1 3 . 1 1 99 99 GLU CA C 598 55.729 55.729 55.861 -0.132 18466 2012 1 3 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.423 1.131 18466 2013 1 3 . 1 1 99 99 GLU H H 598 8.314 8.314 9.025 -0.711 18466 2014 1 3 . 1 1 100 100 VAL N N 599 130.705 130.705 128.232 2.473 18466 2015 1 3 . 1 1 100 100 VAL HA H 599 5.043 5.043 4.835 0.208 18466 2016 1 3 . 1 1 100 100 VAL C C 599 173.758 173.758 175.140 -1.382 18466 2017 1 3 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.633 -0.527 18466 2018 1 3 . 1 1 100 100 VAL CB C 599 32.772 32.772 32.619 0.153 18466 2019 1 3 . 1 1 100 100 VAL H H 599 9.330 9.330 8.346 0.984 18466 2020 1 3 . 1 1 101 101 SER N N 600 119.932 119.932 122.197 -2.265 18466 2021 1 3 . 1 1 101 101 SER HA H 600 4.942 4.942 5.233 -0.291 18466 2022 1 3 . 1 1 101 101 SER C C 600 171.934 171.934 172.322 -0.388 18466 2023 1 3 . 1 1 101 101 SER CA C 600 56.624 56.624 56.127 0.497 18466 2024 1 3 . 1 1 101 101 SER CB C 600 67.420 67.420 66.869 0.551 18466 2025 1 3 . 1 1 101 101 SER H H 600 9.016 9.016 9.269 -0.253 18466 2026 1 3 . 1 1 102 102 LEU N N 601 122.984 122.984 123.320 -0.336 18466 2027 1 3 . 1 1 102 102 LEU HA H 601 5.047 5.047 4.937 0.110 18466 2028 1 3 . 1 1 102 102 LEU C C 601 175.753 175.753 174.806 0.947 18466 2029 1 3 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.275 0.018 18466 2030 1 3 . 1 1 102 102 LEU CB C 601 45.099 45.099 44.715 0.384 18466 2031 1 3 . 1 1 102 102 LEU H H 601 7.919 7.919 9.094 -1.175 18466 2032 1 3 . 1 1 103 103 LYS N N 602 126.471 126.471 124.986 1.485 18466 2033 1 3 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.761 -0.306 18466 2034 1 3 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.493 0.205 18466 2035 1 3 . 1 1 103 103 LYS CB C 602 35.012 35.012 34.567 0.445 18466 2036 1 3 . 1 1 103 103 LYS H H 602 8.335 8.335 9.032 -0.697 18466 2037 1 3 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.384 -0.091 18466 2038 1 3 . 1 1 104 104 ASN C C 603 174.155 174.155 174.901 -0.746 18466 2039 1 3 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.306 0.441 18466 2040 1 3 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.286 -0.110 18466 2041 1 3 . 1 1 105 105 ASN N N 604 108.810 108.810 109.605 -0.795 18466 2042 1 3 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.338 -0.171 18466 2043 1 3 . 1 1 105 105 ASN C C 604 173.758 173.758 173.733 0.025 18466 2044 1 3 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.696 0.479 18466 2045 1 3 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.229 -0.022 18466 2046 1 3 . 1 1 105 105 ASN H H 604 8.680 8.680 8.574 0.106 18466 2047 1 3 . 1 1 106 106 VAL N N 605 121.572 121.572 120.544 1.028 18466 2048 1 3 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.294 -0.006 18466 2049 1 3 . 1 1 106 106 VAL C C 605 176.336 176.336 174.940 1.396 18466 2050 1 3 . 1 1 106 106 VAL CA C 605 62.139 62.139 60.709 1.430 18466 2051 1 3 . 1 1 106 106 VAL CB C 605 34.436 34.436 32.478 1.958 18466 2052 1 3 . 1 1 106 106 VAL H H 605 7.908 7.908 7.954 -0.046 18466 2053 1 3 . 1 1 107 107 VAL N N 606 133.223 133.223 129.338 3.885 18466 2054 1 3 . 1 1 107 107 VAL HA H 606 4.627 4.627 4.892 -0.265 18466 2055 1 3 . 1 1 107 107 VAL C C 606 174.704 174.704 174.955 -0.251 18466 2056 1 3 . 1 1 107 107 VAL CA C 606 61.787 61.787 60.871 0.916 18466 2057 1 3 . 1 1 107 107 VAL CB C 606 32.211 32.211 33.377 -1.166 18466 2058 1 3 . 1 1 107 107 VAL H H 606 9.418 9.418 8.721 0.697 18466 2059 1 3 . 1 1 108 108 SER N N 607 120.743 120.743 124.554 -3.811 18466 2060 1 3 . 1 1 108 108 SER HA H 607 5.365 5.365 5.248 0.117 18466 2061 1 3 . 1 1 108 108 SER C C 607 171.934 171.934 172.217 -0.283 18466 2062 1 3 . 1 1 108 108 SER CA C 607 56.958 56.958 57.278 -0.320 18466 2063 1 3 . 1 1 108 108 SER CB C 607 66.469 66.469 66.482 -0.013 18466 2064 1 3 . 1 1 108 108 SER H H 607 9.123 9.123 9.175 -0.052 18466 2065 1 3 . 1 1 109 109 VAL N N 608 121.138 121.138 124.468 -3.330 18466 2066 1 3 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.525 0.255 18466 2067 1 3 . 1 1 109 109 VAL C C 608 173.903 173.903 174.970 -1.067 18466 2068 1 3 . 1 1 109 109 VAL CA C 608 57.399 57.399 59.990 -2.591 18466 2069 1 3 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.104 0.858 18466 2070 1 3 . 1 1 109 109 VAL H H 608 9.144 9.144 8.798 0.346 18466 2071 1 3 . 1 1 110 110 ASN N N 609 128.266 128.266 128.425 -0.159 18466 2072 1 3 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.332 -0.067 18466 2073 1 3 . 1 1 110 110 ASN C C 609 175.296 175.296 174.984 0.312 18466 2074 1 3 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.676 -0.668 18466 2075 1 3 . 1 1 110 110 ASN CB C 609 35.921 35.921 37.022 -1.101 18466 2076 1 3 . 1 1 110 110 ASN H H 609 9.783 9.783 9.342 0.441 18466 2077 1 3 . 1 1 111 111 LYS N N 610 107.513 107.513 109.052 -1.539 18466 2078 1 3 . 1 1 111 111 LYS HA H 610 3.648 3.648 4.006 -0.358 18466 2079 1 3 . 1 1 111 111 LYS C C 610 175.617 175.617 175.936 -0.319 18466 2080 1 3 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.016 0.387 18466 2081 1 3 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.253 -0.732 18466 2082 1 3 . 1 1 111 111 LYS H H 610 8.302 8.302 8.558 -0.256 18466 2083 1 3 . 1 1 112 112 GLU N N 611 125.401 125.401 120.626 4.775 18466 2084 1 3 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.686 0.113 18466 2085 1 3 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.639 -0.733 18466 2086 1 3 . 1 1 112 112 GLU H H 611 8.565 8.565 7.577 0.988 18466 2087 1 3 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.555 0.131 18466 2088 1 3 . 1 1 113 113 PRO C C 612 177.464 177.464 176.236 1.228 18466 2089 1 3 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.427 0.236 18466 2090 1 3 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.406 -0.255 18466 2091 1 3 . 1 1 114 114 VAL N N 613 124.842 124.842 122.908 1.934 18466 2092 1 3 . 1 1 114 114 VAL HA H 613 4.284 4.284 3.973 0.311 18466 2093 1 3 . 1 1 114 114 VAL C C 613 176.520 176.520 176.065 0.455 18466 2094 1 3 . 1 1 114 114 VAL CA C 613 62.290 62.290 62.212 0.078 18466 2095 1 3 . 1 1 114 114 VAL CB C 613 32.203 32.203 32.695 -0.492 18466 2096 1 3 . 1 1 114 114 VAL H H 613 9.226 9.226 8.016 1.210 18466 2097 1 3 . 1 1 115 115 ALA N N 614 132.511 132.511 131.905 0.606 18466 2098 1 3 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.264 0.073 18466 2099 1 3 . 1 1 115 115 ALA C C 614 178.395 178.395 177.196 1.199 18466 2100 1 3 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.872 0.150 18466 2101 1 3 . 1 1 115 115 ALA CB C 614 19.663 19.663 19.920 -0.257 18466 2102 1 3 . 1 1 115 115 ALA H H 614 8.910 8.910 8.928 -0.018 18466 2103 1 3 . 1 1 116 116 GLU N N 615 115.091 115.091 116.247 -1.156 18466 2104 1 3 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.802 0.071 18466 2105 1 3 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.891 -0.403 18466 2106 1 3 . 1 1 116 116 GLU H H 615 6.869 6.869 7.821 -0.952 18466 2107 1 3 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.118 0.526 18466 2108 1 3 . 1 1 117 117 PRO C C 616 177.124 177.124 176.509 0.615 18466 2109 1 3 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.513 -0.475 18466 2110 1 3 . 1 1 117 117 PRO CB C 616 33.662 33.662 32.743 0.919 18466 2111 1 3 . 1 1 118 118 ASP N N 617 114.361 114.361 116.380 -2.019 18466 2112 1 3 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.360 -0.475 18466 2113 1 3 . 1 1 118 118 ASP C C 617 174.982 174.982 175.713 -0.731 18466 2114 1 3 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.555 -0.680 18466 2115 1 3 . 1 1 118 118 ASP CB C 617 37.661 37.661 40.069 -2.408 18466 2116 1 3 . 1 1 118 118 ASP H H 617 9.745 9.745 8.752 0.993 18466 2117 1 3 . 1 1 119 119 ILE N N 618 121.057 121.057 121.466 -0.409 18466 2118 1 3 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.033 0.006 18466 2119 1 3 . 1 1 119 119 ILE C C 618 175.857 175.857 175.319 0.538 18466 2120 1 3 . 1 1 119 119 ILE CA C 618 62.841 62.841 61.622 1.219 18466 2121 1 3 . 1 1 119 119 ILE CB C 618 36.496 36.496 37.822 -1.326 18466 2122 1 3 . 1 1 119 119 ILE H H 618 8.754 8.754 7.783 0.971 18466 2123 1 3 . 1 1 120 120 MET N N 619 125.664 125.664 129.041 -3.377 18466 2124 1 3 . 1 1 120 120 MET HA H 619 4.604 4.604 4.433 0.171 18466 2125 1 3 . 1 1 120 120 MET C C 619 174.825 174.825 174.387 0.438 18466 2126 1 3 . 1 1 120 120 MET CA C 619 55.006 55.006 55.647 -0.641 18466 2127 1 3 . 1 1 120 120 MET CB C 619 31.457 31.457 33.482 -2.025 18466 2128 1 3 . 1 1 120 120 MET H H 619 8.077 8.077 8.450 -0.373 18466 2129 1 3 . 1 1 121 121 ALA N N 620 122.929 122.929 126.898 -3.969 18466 2130 1 3 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.753 0.142 18466 2131 1 3 . 1 1 121 121 ALA C C 620 177.945 177.945 177.364 0.581 18466 2132 1 3 . 1 1 121 121 ALA CA C 620 50.023 50.023 51.026 -1.003 18466 2133 1 3 . 1 1 121 121 ALA CB C 620 23.030 23.030 21.418 1.612 18466 2134 1 3 . 1 1 121 121 ALA H H 620 8.386 8.386 8.329 0.057 18466 2135 1 3 . 1 1 122 122 THR N N 621 111.051 111.051 114.446 -3.395 18466 2136 1 3 . 1 1 122 122 THR HA H 621 4.046 4.046 4.199 -0.153 18466 2137 1 3 . 1 1 122 122 THR C C 621 176.366 176.366 175.145 1.221 18466 2138 1 3 . 1 1 122 122 THR CA C 621 64.526 64.526 64.669 -0.143 18466 2139 1 3 . 1 1 122 122 THR CB C 621 68.423 68.423 69.129 -0.706 18466 2140 1 3 . 1 1 122 122 THR H H 621 9.176 9.176 8.242 0.934 18466 2141 1 3 . 1 1 123 123 ASN N N 622 117.402 117.402 117.629 -0.227 18466 2142 1 3 . 1 1 123 123 ASN HA H 622 5.034 5.034 5.014 0.020 18466 2143 1 3 . 1 1 123 123 ASN C C 622 173.258 173.258 174.245 -0.987 18466 2144 1 3 . 1 1 123 123 ASN CA C 622 51.163 51.163 52.020 -0.857 18466 2145 1 3 . 1 1 123 123 ASN CB C 622 37.038 37.038 39.382 -2.344 18466 2146 1 3 . 1 1 123 123 ASN H H 622 7.970 7.970 8.424 -0.454 18466 2147 1 3 . 1 1 124 124 GLY N N 623 102.697 102.697 105.861 -3.164 18466 2148 1 3 . 1 1 124 124 GLY C C 623 169.960 169.960 171.437 -1.477 18466 2149 1 3 . 1 1 124 124 GLY CA C 623 46.700 46.700 45.203 1.496 18466 2150 1 3 . 1 1 124 124 GLY H H 623 6.916 6.916 7.285 -0.369 18466 2151 1 3 . 1 1 125 125 VAL N N 624 120.074 120.074 118.017 2.057 18466 2152 1 3 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.025 -0.143 18466 2153 1 3 . 1 1 125 125 VAL C C 624 170.860 170.860 173.064 -2.204 18466 2154 1 3 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.635 -0.038 18466 2155 1 3 . 1 1 125 125 VAL CB C 624 34.915 34.915 35.789 -0.874 18466 2156 1 3 . 1 1 125 125 VAL H H 624 8.474 8.474 8.538 -0.064 18466 2157 1 3 . 1 1 126 126 VAL N N 625 127.537 127.537 124.435 3.102 18466 2158 1 3 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.455 0.186 18466 2159 1 3 . 1 1 126 126 VAL C C 625 172.913 172.913 174.119 -1.206 18466 2160 1 3 . 1 1 126 126 VAL CA C 625 60.474 60.474 60.294 0.180 18466 2161 1 3 . 1 1 126 126 VAL CB C 625 34.138 34.138 33.810 0.328 18466 2162 1 3 . 1 1 126 126 VAL H H 625 9.093 9.093 8.510 0.583 18466 2163 1 3 . 1 1 127 127 HIS N N 626 124.236 124.236 126.722 -2.486 18466 2164 1 3 . 1 1 127 127 HIS HA H 626 5.499 5.499 4.811 0.688 18466 2165 1 3 . 1 1 127 127 HIS C C 626 175.690 175.690 175.054 0.636 18466 2166 1 3 . 1 1 127 127 HIS CA C 626 53.204 53.204 53.419 -0.215 18466 2167 1 3 . 1 1 127 127 HIS CB C 626 34.315 34.315 30.153 4.162 18466 2168 1 3 . 1 1 127 127 HIS H H 626 8.732 8.732 7.825 0.907 18466 2169 1 3 . 1 1 128 128 VAL N N 627 124.683 124.683 126.890 -2.207 18466 2170 1 3 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.224 0.269 18466 2171 1 3 . 1 1 128 128 VAL C C 627 176.380 176.380 175.851 0.529 18466 2172 1 3 . 1 1 128 128 VAL CA C 627 64.757 64.757 64.259 0.498 18466 2173 1 3 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.588 1.300 18466 2174 1 3 . 1 1 128 128 VAL H H 627 8.827 8.827 8.673 0.154 18466 2175 1 3 . 1 1 129 129 ILE N N 628 121.094 121.094 120.910 0.184 18466 2176 1 3 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.800 0.343 18466 2177 1 3 . 1 1 129 129 ILE C C 628 175.099 175.099 175.573 -0.474 18466 2178 1 3 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.590 0.665 18466 2179 1 3 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.438 1.175 18466 2180 1 3 . 1 1 129 129 ILE H H 628 8.650 8.650 8.875 -0.225 18466 2181 1 3 . 1 1 130 130 THR N N 629 108.406 108.406 116.725 -8.319 18466 2182 1 3 . 1 1 130 130 THR HA H 629 4.666 4.666 4.424 0.242 18466 2183 1 3 . 1 1 130 130 THR C C 629 173.079 173.079 173.357 -0.278 18466 2184 1 3 . 1 1 130 130 THR CA C 629 61.373 61.373 61.571 -0.198 18466 2185 1 3 . 1 1 130 130 THR CB C 629 68.776 68.776 68.706 0.070 18466 2186 1 3 . 1 1 130 130 THR H H 629 9.359 9.359 8.657 0.702 18466 2187 1 3 . 1 1 131 131 ASN N N 630 117.726 117.726 116.523 1.203 18466 2188 1 3 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.791 0.029 18466 2189 1 3 . 1 1 131 131 ASN C C 630 172.152 172.152 172.667 -0.515 18466 2190 1 3 . 1 1 131 131 ASN CA C 630 52.538 52.538 51.731 0.807 18466 2191 1 3 . 1 1 131 131 ASN CB C 630 43.071 43.071 41.097 1.974 18466 2192 1 3 . 1 1 131 131 ASN H H 630 7.404 7.404 7.605 -0.201 18466 2193 1 3 . 1 1 132 132 VAL N N 631 118.213 118.213 118.571 -0.358 18466 2194 1 3 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.217 -0.229 18466 2195 1 3 . 1 1 132 132 VAL C C 631 176.686 176.686 175.299 1.387 18466 2196 1 3 . 1 1 132 132 VAL CA C 631 62.358 62.358 60.712 1.646 18466 2197 1 3 . 1 1 132 132 VAL CB C 631 32.611 32.611 34.190 -1.579 18466 2198 1 3 . 1 1 132 132 VAL H H 631 8.137 8.137 8.120 0.017 18466 2199 1 3 . 1 1 133 133 LEU N N 632 132.179 132.179 127.202 4.977 18466 2200 1 3 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.450 -0.241 18466 2201 1 3 . 1 1 133 133 LEU C C 632 175.569 175.569 175.985 -0.416 18466 2202 1 3 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.003 1.212 18466 2203 1 3 . 1 1 133 133 LEU CB C 632 41.473 41.473 42.124 -0.651 18466 2204 1 3 . 1 1 133 133 LEU H H 632 10.917 10.917 8.419 2.498 18466 2205 1 3 . 1 1 134 134 GLN N N 633 115.538 115.538 124.552 -9.014 18466 2206 1 3 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.659 0.122 18466 2207 1 3 . 1 1 134 134 GLN CA C 633 52.392 52.392 53.512 -1.120 18466 2208 1 3 . 1 1 134 134 GLN H H 633 7.765 7.765 8.386 -0.621 18466 2209 1 4 . 1 1 3 3 MET C C 502 175.880 175.880 174.557 1.323 18466 2210 1 4 . 1 1 3 3 MET CA C 502 55.950 55.950 55.360 0.590 18466 2211 1 4 . 1 1 3 3 MET CB C 502 34.203 34.203 33.762 0.441 18466 2212 1 4 . 1 1 4 4 GLY N N 503 111.090 111.090 107.390 3.700 18466 2213 1 4 . 1 1 4 4 GLY C C 503 174.009 174.009 173.215 0.794 18466 2214 1 4 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.469 0.007 18466 2215 1 4 . 1 1 4 4 GLY H H 503 8.375 8.375 7.703 0.672 18466 2216 1 4 . 1 1 5 5 THR N N 504 111.543 111.543 113.798 -2.255 18466 2217 1 4 . 1 1 5 5 THR HA H 504 4.437 4.437 4.544 -0.107 18466 2218 1 4 . 1 1 5 5 THR C C 504 176.361 176.361 175.394 0.967 18466 2219 1 4 . 1 1 5 5 THR CA C 504 61.972 61.972 61.303 0.669 18466 2220 1 4 . 1 1 5 5 THR CB C 504 73.041 73.041 70.542 2.499 18466 2221 1 4 . 1 1 5 5 THR H H 504 9.227 9.227 8.136 1.091 18466 2222 1 4 . 1 1 6 6 VAL N N 505 118.236 118.236 122.100 -3.864 18466 2223 1 4 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.759 -0.506 18466 2224 1 4 . 1 1 6 6 VAL C C 505 177.287 177.287 177.109 0.178 18466 2225 1 4 . 1 1 6 6 VAL CA C 505 67.124 67.124 66.022 1.102 18466 2226 1 4 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.953 -0.456 18466 2227 1 4 . 1 1 6 6 VAL H H 505 9.896 9.896 9.339 0.557 18466 2228 1 4 . 1 1 7 7 MET N N 506 114.146 114.146 118.685 -4.539 18466 2229 1 4 . 1 1 7 7 MET HA H 506 4.358 4.358 4.150 0.208 18466 2230 1 4 . 1 1 7 7 MET C C 506 178.126 178.126 177.602 0.524 18466 2231 1 4 . 1 1 7 7 MET CA C 506 56.050 56.050 57.833 -1.783 18466 2232 1 4 . 1 1 7 7 MET CB C 506 30.608 30.608 31.901 -1.293 18466 2233 1 4 . 1 1 7 7 MET H H 506 6.970 6.970 7.609 -0.639 18466 2234 1 4 . 1 1 8 8 ASP N N 507 120.413 120.413 119.787 0.626 18466 2235 1 4 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.433 -0.180 18466 2236 1 4 . 1 1 8 8 ASP C C 507 179.824 179.824 178.758 1.066 18466 2237 1 4 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.452 0.695 18466 2238 1 4 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.810 -0.332 18466 2239 1 4 . 1 1 8 8 ASP H H 507 7.433 7.433 7.601 -0.168 18466 2240 1 4 . 1 1 9 9 VAL N N 508 121.366 121.366 118.741 2.625 18466 2241 1 4 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.738 -0.173 18466 2242 1 4 . 1 1 9 9 VAL C C 508 179.112 179.112 177.458 1.654 18466 2243 1 4 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.290 -0.141 18466 2244 1 4 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.571 -0.001 18466 2245 1 4 . 1 1 9 9 VAL H H 508 8.157 8.157 7.994 0.163 18466 2246 1 4 . 1 1 10 10 LEU N N 509 117.252 117.252 117.141 0.111 18466 2247 1 4 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.524 -0.502 18466 2248 1 4 . 1 1 10 10 LEU C C 509 179.092 179.092 179.079 0.013 18466 2249 1 4 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.517 -0.173 18466 2250 1 4 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.776 0.146 18466 2251 1 4 . 1 1 10 10 LEU H H 509 7.859 7.859 7.236 0.623 18466 2252 1 4 . 1 1 11 11 LYS N N 510 114.815 114.815 116.992 -2.177 18466 2253 1 4 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.393 -0.439 18466 2254 1 4 . 1 1 11 11 LYS C C 510 178.026 178.026 178.317 -0.291 18466 2255 1 4 . 1 1 11 11 LYS CA C 510 59.144 59.144 58.037 1.107 18466 2256 1 4 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.191 0.505 18466 2257 1 4 . 1 1 11 11 LYS H H 510 8.376 8.376 7.863 0.513 18466 2258 1 4 . 1 1 12 12 GLY N N 511 104.635 104.635 107.923 -3.288 18466 2259 1 4 . 1 1 12 12 GLY C C 511 172.558 172.558 173.818 -1.260 18466 2260 1 4 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.815 0.690 18466 2261 1 4 . 1 1 12 12 GLY H H 511 7.593 7.593 7.881 -0.288 18466 2262 1 4 . 1 1 13 13 ASP N N 512 120.111 120.111 119.064 1.047 18466 2263 1 4 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.627 0.368 18466 2264 1 4 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.158 0.425 18466 2265 1 4 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.093 0.864 18466 2266 1 4 . 1 1 13 13 ASP H H 512 7.065 7.065 7.284 -0.219 18466 2267 1 4 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.478 -0.030 18466 2268 1 4 . 1 1 14 14 ASN C C 513 176.736 176.736 176.384 0.352 18466 2269 1 4 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.660 0.232 18466 2270 1 4 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.700 -0.615 18466 2271 1 4 . 1 1 15 15 ARG N N 514 118.917 118.917 119.805 -0.888 18466 2272 1 4 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.298 -0.129 18466 2273 1 4 . 1 1 15 15 ARG C C 514 176.145 176.145 178.885 -2.740 18466 2274 1 4 . 1 1 15 15 ARG CA C 514 58.062 58.062 57.525 0.537 18466 2275 1 4 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.186 0.480 18466 2276 1 4 . 1 1 15 15 ARG H H 514 8.581 8.581 8.312 0.269 18466 2277 1 4 . 1 1 16 16 PHE N N 515 113.226 113.226 118.268 -5.042 18466 2278 1 4 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.658 1.121 18466 2279 1 4 . 1 1 16 16 PHE C C 515 176.587 176.587 178.043 -1.456 18466 2280 1 4 . 1 1 16 16 PHE CA C 515 56.064 56.064 56.731 -0.667 18466 2281 1 4 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.135 1.436 18466 2282 1 4 . 1 1 16 16 PHE H H 515 7.600 7.600 8.810 -1.210 18466 2283 1 4 . 1 1 17 17 SER N N 516 116.620 116.620 116.160 0.460 18466 2284 1 4 . 1 1 17 17 SER HA H 516 4.049 4.049 4.242 -0.193 18466 2285 1 4 . 1 1 17 17 SER C C 516 178.564 178.564 176.129 2.435 18466 2286 1 4 . 1 1 17 17 SER CA C 516 62.683 62.683 61.980 0.703 18466 2287 1 4 . 1 1 17 17 SER CB C 516 62.150 62.150 63.087 -0.937 18466 2288 1 4 . 1 1 17 17 SER H H 516 7.532 7.532 7.890 -0.358 18466 2289 1 4 . 1 1 18 18 MET N N 517 124.356 124.356 118.600 5.756 18466 2290 1 4 . 1 1 18 18 MET HA H 517 3.991 3.991 4.357 -0.366 18466 2291 1 4 . 1 1 18 18 MET C C 517 178.066 178.066 177.741 0.325 18466 2292 1 4 . 1 1 18 18 MET CA C 517 59.462 59.462 57.411 2.051 18466 2293 1 4 . 1 1 18 18 MET CB C 517 31.596 31.596 31.860 -0.264 18466 2294 1 4 . 1 1 18 18 MET H H 517 9.291 9.291 7.552 1.739 18466 2295 1 4 . 1 1 19 19 LEU N N 518 123.835 123.835 122.037 1.798 18466 2296 1 4 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.050 -0.129 18466 2297 1 4 . 1 1 19 19 LEU C C 518 178.217 178.217 178.284 -0.067 18466 2298 1 4 . 1 1 19 19 LEU CA C 518 58.140 58.140 57.755 0.385 18466 2299 1 4 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.623 -0.291 18466 2300 1 4 . 1 1 19 19 LEU H H 518 8.615 8.615 7.573 1.042 18466 2301 1 4 . 1 1 20 20 VAL N N 519 118.876 118.876 119.409 -0.533 18466 2302 1 4 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.488 -0.183 18466 2303 1 4 . 1 1 20 20 VAL C C 519 178.174 178.174 177.711 0.463 18466 2304 1 4 . 1 1 20 20 VAL CA C 519 67.850 67.850 66.939 0.911 18466 2305 1 4 . 1 1 20 20 VAL CB C 519 31.701 31.701 31.138 0.563 18466 2306 1 4 . 1 1 20 20 VAL H H 519 9.059 9.059 8.380 0.679 18466 2307 1 4 . 1 1 21 21 ALA N N 520 122.184 122.184 121.674 0.510 18466 2308 1 4 . 1 1 21 21 ALA HA H 520 4.156 4.156 3.981 0.175 18466 2309 1 4 . 1 1 21 21 ALA C C 520 180.310 180.310 179.184 1.126 18466 2310 1 4 . 1 1 21 21 ALA CA C 520 55.066 55.066 55.115 -0.049 18466 2311 1 4 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.844 -0.038 18466 2312 1 4 . 1 1 21 21 ALA H H 520 7.482 7.482 7.570 -0.088 18466 2313 1 4 . 1 1 22 22 ALA N N 521 123.379 123.379 121.633 1.746 18466 2314 1 4 . 1 1 22 22 ALA HA H 521 4.102 4.102 3.998 0.104 18466 2315 1 4 . 1 1 22 22 ALA C C 521 178.705 178.705 179.587 -0.882 18466 2316 1 4 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.783 0.125 18466 2317 1 4 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.251 -0.380 18466 2318 1 4 . 1 1 22 22 ALA H H 521 8.286 8.286 7.364 0.921 18466 2319 1 4 . 1 1 23 23 ILE N N 522 120.263 120.263 119.007 1.256 18466 2320 1 4 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.539 -0.235 18466 2321 1 4 . 1 1 23 23 ILE C C 522 178.025 178.025 178.428 -0.403 18466 2322 1 4 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.261 0.718 18466 2323 1 4 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.508 0.859 18466 2324 1 4 . 1 1 23 23 ILE H H 522 8.900 8.900 8.410 0.490 18466 2325 1 4 . 1 1 24 24 GLN N N 523 118.959 118.959 118.375 0.584 18466 2326 1 4 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.098 0.090 18466 2327 1 4 . 1 1 24 24 GLN C C 523 180.253 180.253 178.372 1.881 18466 2328 1 4 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.260 0.333 18466 2329 1 4 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.242 -0.610 18466 2330 1 4 . 1 1 24 24 GLN H H 523 7.898 7.898 8.354 -0.456 18466 2331 1 4 . 1 1 25 25 SER N N 524 118.150 118.150 113.477 4.673 18466 2332 1 4 . 1 1 25 25 SER HA H 524 4.188 4.188 4.375 -0.187 18466 2333 1 4 . 1 1 25 25 SER C C 524 175.635 175.635 175.267 0.368 18466 2334 1 4 . 1 1 25 25 SER CA C 524 61.732 61.732 59.723 2.009 18466 2335 1 4 . 1 1 25 25 SER CB C 524 63.140 63.140 63.313 -0.173 18466 2336 1 4 . 1 1 25 25 SER H H 524 8.405 8.405 7.355 1.050 18466 2337 1 4 . 1 1 26 26 ALA N N 525 119.360 119.360 122.372 -3.012 18466 2338 1 4 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.379 -0.011 18466 2339 1 4 . 1 1 26 26 ALA C C 525 176.960 176.960 177.978 -1.018 18466 2340 1 4 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.651 -0.495 18466 2341 1 4 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.733 0.214 18466 2342 1 4 . 1 1 26 26 ALA H H 525 8.277 8.277 7.904 0.373 18466 2343 1 4 . 1 1 27 27 GLY N N 526 105.968 105.968 107.404 -1.436 18466 2344 1 4 . 1 1 27 27 GLY C C 526 176.602 176.602 174.694 1.908 18466 2345 1 4 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.040 1.435 18466 2346 1 4 . 1 1 27 27 GLY H H 526 7.789 7.789 8.152 -0.363 18466 2347 1 4 . 1 1 28 28 LEU N N 527 118.466 118.466 118.154 0.312 18466 2348 1 4 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.756 -0.303 18466 2349 1 4 . 1 1 28 28 LEU C C 527 175.805 175.805 177.554 -1.749 18466 2350 1 4 . 1 1 28 28 LEU CA C 527 54.816 54.816 53.845 0.971 18466 2351 1 4 . 1 1 28 28 LEU CB C 527 45.181 45.181 41.074 4.107 18466 2352 1 4 . 1 1 28 28 LEU H H 527 8.088 8.088 7.776 0.312 18466 2353 1 4 . 1 1 29 29 THR N N 528 118.037 118.037 115.785 2.252 18466 2354 1 4 . 1 1 29 29 THR HA H 528 3.539 3.539 3.919 -0.380 18466 2355 1 4 . 1 1 29 29 THR C C 528 175.526 175.526 176.212 -0.686 18466 2356 1 4 . 1 1 29 29 THR CA C 528 66.828 66.828 66.610 0.218 18466 2357 1 4 . 1 1 29 29 THR CB C 528 68.754 68.754 68.491 0.263 18466 2358 1 4 . 1 1 29 29 THR H H 528 7.593 7.593 8.166 -0.573 18466 2359 1 4 . 1 1 30 30 GLU N N 529 117.711 117.711 120.097 -2.386 18466 2360 1 4 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.094 -0.122 18466 2361 1 4 . 1 1 30 30 GLU C C 529 179.395 179.395 178.263 1.132 18466 2362 1 4 . 1 1 30 30 GLU CA C 529 59.788 59.788 59.944 -0.156 18466 2363 1 4 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.468 -0.010 18466 2364 1 4 . 1 1 30 30 GLU H H 529 8.304 8.304 8.700 -0.396 18466 2365 1 4 . 1 1 31 31 THR N N 530 116.155 116.155 115.108 1.047 18466 2366 1 4 . 1 1 31 31 THR HA H 530 3.756 3.756 4.015 -0.259 18466 2367 1 4 . 1 1 31 31 THR C C 530 175.838 175.838 176.190 -0.352 18466 2368 1 4 . 1 1 31 31 THR CA C 530 67.156 67.156 66.761 0.395 18466 2369 1 4 . 1 1 31 31 THR CB C 530 69.159 69.159 68.663 0.495 18466 2370 1 4 . 1 1 31 31 THR H H 530 7.692 7.692 7.945 -0.253 18466 2371 1 4 . 1 1 32 32 LEU N N 531 116.655 116.655 117.701 -1.046 18466 2372 1 4 . 1 1 32 32 LEU HA H 531 3.921 3.921 3.757 0.164 18466 2373 1 4 . 1 1 32 32 LEU C C 531 176.177 176.177 177.404 -1.227 18466 2374 1 4 . 1 1 32 32 LEU CA C 531 55.553 55.553 55.617 -0.064 18466 2375 1 4 . 1 1 32 32 LEU CB C 531 41.533 41.533 40.938 0.595 18466 2376 1 4 . 1 1 32 32 LEU H H 531 7.103 7.103 7.750 -0.647 18466 2377 1 4 . 1 1 33 33 ASN N N 532 118.711 118.711 116.773 1.938 18466 2378 1 4 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.650 0.326 18466 2379 1 4 . 1 1 33 33 ASN C C 532 174.819 174.819 174.991 -0.172 18466 2380 1 4 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.077 -0.956 18466 2381 1 4 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.514 1.475 18466 2382 1 4 . 1 1 33 33 ASN H H 532 7.735 7.735 7.423 0.312 18466 2383 1 4 . 1 1 34 34 ARG N N 533 119.777 119.777 120.776 -0.999 18466 2384 1 4 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.411 0.118 18466 2385 1 4 . 1 1 34 34 ARG C C 533 175.340 175.340 175.757 -0.417 18466 2386 1 4 . 1 1 34 34 ARG CA C 533 55.624 55.624 55.896 -0.272 18466 2387 1 4 . 1 1 34 34 ARG CB C 533 32.805 32.805 30.920 1.885 18466 2388 1 4 . 1 1 34 34 ARG H H 533 7.287 7.287 7.389 -0.102 18466 2389 1 4 . 1 1 35 35 GLU N N 534 120.198 120.198 122.862 -2.664 18466 2390 1 4 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.315 -0.080 18466 2391 1 4 . 1 1 35 35 GLU C C 534 176.305 176.305 176.389 -0.084 18466 2392 1 4 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.542 1.196 18466 2393 1 4 . 1 1 35 35 GLU CB C 534 29.694 29.694 29.965 -0.271 18466 2394 1 4 . 1 1 35 35 GLU H H 534 8.517 8.517 8.401 0.116 18466 2395 1 4 . 1 1 36 36 GLY N N 535 111.018 111.018 108.095 2.923 18466 2396 1 4 . 1 1 36 36 GLY C C 535 170.570 170.570 172.177 -1.607 18466 2397 1 4 . 1 1 36 36 GLY CA C 535 44.825 44.825 44.515 0.310 18466 2398 1 4 . 1 1 36 36 GLY H H 535 7.955 7.955 8.427 -0.472 18466 2399 1 4 . 1 1 37 37 VAL N N 536 114.867 114.867 117.129 -2.262 18466 2400 1 4 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.453 -0.325 18466 2401 1 4 . 1 1 37 37 VAL C C 536 173.020 173.020 173.367 -0.347 18466 2402 1 4 . 1 1 37 37 VAL CA C 536 59.407 59.407 60.711 -1.304 18466 2403 1 4 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.334 0.348 18466 2404 1 4 . 1 1 37 37 VAL H H 536 7.198 7.198 7.737 -0.539 18466 2405 1 4 . 1 1 38 38 TYR N N 537 117.363 117.363 122.321 -4.958 18466 2406 1 4 . 1 1 38 38 TYR HA H 537 5.199 5.199 5.279 -0.080 18466 2407 1 4 . 1 1 38 38 TYR C C 537 176.278 176.278 174.975 1.303 18466 2408 1 4 . 1 1 38 38 TYR CA C 537 56.770 56.770 56.850 -0.080 18466 2409 1 4 . 1 1 38 38 TYR CB C 537 42.544 42.544 43.096 -0.552 18466 2410 1 4 . 1 1 38 38 TYR H H 537 7.507 7.507 7.749 -0.242 18466 2411 1 4 . 1 1 39 39 THR N N 538 117.120 117.120 119.055 -1.935 18466 2412 1 4 . 1 1 39 39 THR HA H 538 4.781 4.781 4.801 -0.020 18466 2413 1 4 . 1 1 39 39 THR C C 538 173.406 173.406 173.443 -0.037 18466 2414 1 4 . 1 1 39 39 THR CA C 538 62.197 62.197 62.066 0.131 18466 2415 1 4 . 1 1 39 39 THR CB C 538 70.922 70.922 69.626 1.296 18466 2416 1 4 . 1 1 39 39 THR H H 538 7.906 7.906 9.140 -1.234 18466 2417 1 4 . 1 1 40 40 VAL N N 539 126.768 126.768 127.144 -0.376 18466 2418 1 4 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.871 -0.268 18466 2419 1 4 . 1 1 40 40 VAL C C 539 174.038 174.038 174.486 -0.448 18466 2420 1 4 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.787 0.381 18466 2421 1 4 . 1 1 40 40 VAL CB C 539 33.995 33.995 33.437 0.558 18466 2422 1 4 . 1 1 40 40 VAL H H 539 9.154 9.154 8.636 0.518 18466 2423 1 4 . 1 1 41 41 PHE N N 540 128.517 128.517 127.263 1.254 18466 2424 1 4 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.037 0.294 18466 2425 1 4 . 1 1 41 41 PHE C C 540 173.429 173.429 175.198 -1.769 18466 2426 1 4 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.736 0.946 18466 2427 1 4 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.178 -0.730 18466 2428 1 4 . 1 1 41 41 PHE H H 540 9.087 9.087 8.936 0.151 18466 2429 1 4 . 1 1 42 42 ALA N N 541 125.981 125.981 129.374 -3.393 18466 2430 1 4 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.654 -0.071 18466 2431 1 4 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.153 -0.157 18466 2432 1 4 . 1 1 42 42 ALA CB C 541 23.007 23.007 18.730 4.277 18466 2433 1 4 . 1 1 42 42 ALA H H 541 8.666 8.666 8.194 0.472 18466 2434 1 4 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.167 -0.150 18466 2435 1 4 . 1 1 43 43 PRO C C 542 177.809 177.809 177.415 0.394 18466 2436 1 4 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.190 -1.111 18466 2437 1 4 . 1 1 43 43 PRO CB C 542 31.835 31.835 32.001 -0.166 18466 2438 1 4 . 1 1 44 44 THR N N 543 112.053 112.053 115.710 -3.657 18466 2439 1 4 . 1 1 44 44 THR HA H 543 4.464 4.464 4.489 -0.025 18466 2440 1 4 . 1 1 44 44 THR C C 543 176.413 176.413 176.313 0.100 18466 2441 1 4 . 1 1 44 44 THR CA C 543 60.762 60.762 60.499 0.263 18466 2442 1 4 . 1 1 44 44 THR CB C 543 71.542 71.542 70.093 1.449 18466 2443 1 4 . 1 1 44 44 THR H H 543 7.731 7.731 8.652 -0.921 18466 2444 1 4 . 1 1 45 45 ASN N N 544 119.183 119.183 118.144 1.039 18466 2445 1 4 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.570 0.130 18466 2446 1 4 . 1 1 45 45 ASN C C 544 178.324 178.324 177.610 0.714 18466 2447 1 4 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.433 -0.127 18466 2448 1 4 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.347 -1.141 18466 2449 1 4 . 1 1 45 45 ASN H H 544 8.883 8.883 8.815 0.068 18466 2450 1 4 . 1 1 46 46 GLU N N 545 118.549 118.549 119.323 -0.774 18466 2451 1 4 . 1 1 46 46 GLU C C 545 178.200 178.200 177.741 0.459 18466 2452 1 4 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.043 0.893 18466 2453 1 4 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.587 0.760 18466 2454 1 4 . 1 1 46 46 GLU H H 545 8.283 8.283 8.248 0.035 18466 2455 1 4 . 1 1 47 47 ALA N N 546 122.120 122.120 123.190 -1.070 18466 2456 1 4 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.203 -0.159 18466 2457 1 4 . 1 1 47 47 ALA C C 546 180.432 180.432 179.432 1.000 18466 2458 1 4 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.736 0.333 18466 2459 1 4 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.375 1.218 18466 2460 1 4 . 1 1 47 47 ALA H H 546 7.485 7.485 7.514 -0.029 18466 2461 1 4 . 1 1 48 48 PHE N N 547 115.213 115.213 116.752 -1.539 18466 2462 1 4 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.291 -0.245 18466 2463 1 4 . 1 1 48 48 PHE C C 547 179.098 179.098 177.232 1.866 18466 2464 1 4 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.207 0.898 18466 2465 1 4 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.655 1.104 18466 2466 1 4 . 1 1 48 48 PHE H H 547 7.363 7.363 7.468 -0.105 18466 2467 1 4 . 1 1 49 49 ARG N N 548 118.451 118.451 120.445 -1.994 18466 2468 1 4 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.034 -0.045 18466 2469 1 4 . 1 1 49 49 ARG C C 548 176.382 176.382 178.556 -2.174 18466 2470 1 4 . 1 1 49 49 ARG CA C 548 58.915 58.915 58.901 0.014 18466 2471 1 4 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.232 -0.082 18466 2472 1 4 . 1 1 49 49 ARG H H 548 8.266 8.266 8.127 0.139 18466 2473 1 4 . 1 1 50 50 ALA N N 549 118.978 118.978 122.573 -3.595 18466 2474 1 4 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.143 0.136 18466 2475 1 4 . 1 1 50 50 ALA C C 549 178.745 178.745 178.154 0.591 18466 2476 1 4 . 1 1 50 50 ALA CA C 549 52.652 52.652 53.905 -1.253 18466 2477 1 4 . 1 1 50 50 ALA CB C 549 18.947 18.947 18.609 0.338 18466 2478 1 4 . 1 1 50 50 ALA H H 549 7.416 7.416 7.811 -0.395 18466 2479 1 4 . 1 1 51 51 LEU N N 550 119.842 119.842 120.710 -0.868 18466 2480 1 4 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.428 0.103 18466 2481 1 4 . 1 1 51 51 LEU CA C 550 53.313 53.313 53.089 0.224 18466 2482 1 4 . 1 1 51 51 LEU CB C 550 42.418 42.418 41.758 0.660 18466 2483 1 4 . 1 1 51 51 LEU H H 550 7.138 7.138 7.253 -0.115 18466 2484 1 4 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.675 0.114 18466 2485 1 4 . 1 1 52 52 PRO CA C 551 61.784 61.784 62.075 -0.291 18466 2486 1 4 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.288 0.054 18466 2487 1 4 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.125 -0.010 18466 2488 1 4 . 1 1 53 53 PRO CA C 552 66.346 66.346 66.100 0.246 18466 2489 1 4 . 1 1 53 53 PRO CB C 552 33.383 33.383 32.031 1.352 18466 2490 1 4 . 1 1 54 54 ARG C C 553 179.024 179.024 178.244 0.780 18466 2491 1 4 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.357 0.097 18466 2492 1 4 . 1 1 54 54 ARG CB C 553 29.694 29.694 30.067 -0.373 18466 2493 1 4 . 1 1 55 55 GLU N N 554 119.712 119.712 118.612 1.100 18466 2494 1 4 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.153 0.213 18466 2495 1 4 . 1 1 55 55 GLU C C 554 178.437 178.437 179.037 -0.600 18466 2496 1 4 . 1 1 55 55 GLU CA C 554 58.362 58.362 58.984 -0.622 18466 2497 1 4 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.079 0.648 18466 2498 1 4 . 1 1 55 55 GLU H H 554 7.526 7.526 7.642 -0.116 18466 2499 1 4 . 1 1 56 56 ARG N N 555 120.112 120.112 119.251 0.861 18466 2500 1 4 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.099 -0.254 18466 2501 1 4 . 1 1 56 56 ARG C C 555 177.902 177.902 178.662 -0.760 18466 2502 1 4 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.466 0.896 18466 2503 1 4 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.661 0.634 18466 2504 1 4 . 1 1 56 56 ARG H H 555 8.452 8.452 8.870 -0.418 18466 2505 1 4 . 1 1 57 57 SER N N 556 111.829 111.829 115.046 -3.217 18466 2506 1 4 . 1 1 57 57 SER HA H 556 4.138 4.138 4.264 -0.126 18466 2507 1 4 . 1 1 57 57 SER C C 556 177.151 177.151 176.516 0.635 18466 2508 1 4 . 1 1 57 57 SER CA C 556 61.661 61.661 61.080 0.581 18466 2509 1 4 . 1 1 57 57 SER CB C 556 62.874 62.874 62.985 -0.111 18466 2510 1 4 . 1 1 57 57 SER H H 556 8.200 8.200 7.756 0.444 18466 2511 1 4 . 1 1 58 58 ARG N N 557 122.459 122.459 121.305 1.154 18466 2512 1 4 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.058 0.010 18466 2513 1 4 . 1 1 58 58 ARG C C 557 178.190 178.190 179.331 -1.141 18466 2514 1 4 . 1 1 58 58 ARG CA C 557 59.121 59.121 59.097 0.024 18466 2515 1 4 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.168 0.340 18466 2516 1 4 . 1 1 58 58 ARG H H 557 7.589 7.589 7.724 -0.135 18466 2517 1 4 . 1 1 59 59 LEU N N 558 117.826 117.826 121.753 -3.927 18466 2518 1 4 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.096 0.013 18466 2519 1 4 . 1 1 59 59 LEU C C 558 177.217 177.217 178.334 -1.117 18466 2520 1 4 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.749 0.029 18466 2521 1 4 . 1 1 59 59 LEU CB C 558 42.428 42.428 41.728 0.700 18466 2522 1 4 . 1 1 59 59 LEU H H 558 8.034 8.034 8.319 -0.285 18466 2523 1 4 . 1 1 60 60 LEU N N 559 112.187 112.187 114.285 -2.098 18466 2524 1 4 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.224 -0.013 18466 2525 1 4 . 1 1 60 60 LEU C C 559 179.037 179.037 178.135 0.902 18466 2526 1 4 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.386 0.864 18466 2527 1 4 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.387 -0.201 18466 2528 1 4 . 1 1 60 60 LEU H H 559 7.844 7.844 7.915 -0.071 18466 2529 1 4 . 1 1 61 61 GLY N N 560 104.550 104.550 105.930 -1.380 18466 2530 1 4 . 1 1 61 61 GLY C C 560 173.292 173.292 174.240 -0.948 18466 2531 1 4 . 1 1 61 61 GLY CA C 560 45.525 45.525 45.081 0.444 18466 2532 1 4 . 1 1 61 61 GLY H H 560 7.565 7.565 7.404 0.161 18466 2533 1 4 . 1 1 62 62 ASP N N 561 120.720 120.720 120.398 0.322 18466 2534 1 4 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.811 0.085 18466 2535 1 4 . 1 1 62 62 ASP C C 561 174.791 174.791 175.495 -0.704 18466 2536 1 4 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.536 -0.979 18466 2537 1 4 . 1 1 62 62 ASP CB C 561 42.146 42.146 43.156 -1.010 18466 2538 1 4 . 1 1 62 62 ASP H H 561 7.255 7.255 7.482 -0.227 18466 2539 1 4 . 1 1 63 63 ALA N N 562 126.814 126.814 128.982 -2.168 18466 2540 1 4 . 1 1 63 63 ALA HA H 562 4.041 4.041 3.984 0.057 18466 2541 1 4 . 1 1 63 63 ALA C C 562 180.100 180.100 178.710 1.390 18466 2542 1 4 . 1 1 63 63 ALA CA C 562 55.682 55.682 54.803 0.879 18466 2543 1 4 . 1 1 63 63 ALA CB C 562 18.903 18.903 18.940 -0.037 18466 2544 1 4 . 1 1 63 63 ALA H H 562 8.674 8.674 8.789 -0.115 18466 2545 1 4 . 1 1 64 64 LYS N N 563 118.169 118.169 118.324 -0.155 18466 2546 1 4 . 1 1 64 64 LYS HA H 563 4.157 4.157 3.951 0.206 18466 2547 1 4 . 1 1 64 64 LYS C C 563 179.513 179.513 178.328 1.185 18466 2548 1 4 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.688 -0.284 18466 2549 1 4 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.433 -0.467 18466 2550 1 4 . 1 1 64 64 LYS H H 563 8.143 8.143 8.751 -0.608 18466 2551 1 4 . 1 1 65 65 GLU N N 564 121.540 121.540 118.994 2.546 18466 2552 1 4 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.111 0.154 18466 2553 1 4 . 1 1 65 65 GLU C C 564 179.400 179.400 179.125 0.275 18466 2554 1 4 . 1 1 65 65 GLU CA C 564 58.381 58.381 58.854 -0.473 18466 2555 1 4 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.143 0.119 18466 2556 1 4 . 1 1 65 65 GLU H H 564 7.812 7.812 7.683 0.129 18466 2557 1 4 . 1 1 66 66 LEU N N 565 120.816 120.816 120.655 0.161 18466 2558 1 4 . 1 1 66 66 LEU HA H 565 4.114 4.114 4.015 0.099 18466 2559 1 4 . 1 1 66 66 LEU C C 565 178.632 178.632 178.925 -0.293 18466 2560 1 4 . 1 1 66 66 LEU CA C 565 58.006 58.006 58.523 -0.517 18466 2561 1 4 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.211 0.190 18466 2562 1 4 . 1 1 66 66 LEU H H 565 8.757 8.757 7.575 1.182 18466 2563 1 4 . 1 1 67 67 ALA N N 566 118.909 118.909 120.601 -1.692 18466 2564 1 4 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.932 -0.016 18466 2565 1 4 . 1 1 67 67 ALA C C 566 178.874 178.874 179.513 -0.639 18466 2566 1 4 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.392 0.575 18466 2567 1 4 . 1 1 67 67 ALA CB C 566 18.119 18.119 18.215 -0.096 18466 2568 1 4 . 1 1 67 67 ALA H H 566 8.058 8.058 8.100 -0.042 18466 2569 1 4 . 1 1 68 68 ASN N N 567 115.314 115.314 117.255 -1.941 18466 2570 1 4 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.590 -0.148 18466 2571 1 4 . 1 1 68 68 ASN C C 567 176.598 176.598 177.815 -1.217 18466 2572 1 4 . 1 1 68 68 ASN CA C 567 57.146 57.146 55.963 1.183 18466 2573 1 4 . 1 1 68 68 ASN CB C 567 39.032 39.032 39.095 -0.063 18466 2574 1 4 . 1 1 68 68 ASN H H 567 7.478 7.478 7.705 -0.227 18466 2575 1 4 . 1 1 69 69 ILE N N 568 117.111 117.111 119.890 -2.779 18466 2576 1 4 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.941 0.055 18466 2577 1 4 . 1 1 69 69 ILE C C 568 179.707 179.707 178.446 1.261 18466 2578 1 4 . 1 1 69 69 ILE CA C 568 63.604 63.604 64.198 -0.594 18466 2579 1 4 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.486 -0.058 18466 2580 1 4 . 1 1 69 69 ILE H H 568 8.027 8.027 8.308 -0.281 18466 2581 1 4 . 1 1 70 70 LEU N N 569 121.388 121.388 118.195 3.193 18466 2582 1 4 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.560 -0.460 18466 2583 1 4 . 1 1 70 70 LEU C C 569 179.729 179.729 179.243 0.486 18466 2584 1 4 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.682 0.910 18466 2585 1 4 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.465 0.449 18466 2586 1 4 . 1 1 70 70 LEU H H 569 8.985 8.985 8.281 0.704 18466 2587 1 4 . 1 1 71 71 LYS N N 570 116.226 116.226 119.960 -3.734 18466 2588 1 4 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.094 -0.156 18466 2589 1 4 . 1 1 71 71 LYS C C 570 177.620 177.620 178.274 -0.654 18466 2590 1 4 . 1 1 71 71 LYS CA C 570 60.800 60.800 58.961 1.839 18466 2591 1 4 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.374 0.067 18466 2592 1 4 . 1 1 71 71 LYS H H 570 8.525 8.525 7.724 0.801 18466 2593 1 4 . 1 1 72 72 TYR N N 571 120.076 120.076 118.828 1.248 18466 2594 1 4 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.411 0.213 18466 2595 1 4 . 1 1 72 72 TYR C C 571 171.915 171.915 176.652 -4.737 18466 2596 1 4 . 1 1 72 72 TYR CA C 571 58.886 58.886 59.235 -0.349 18466 2597 1 4 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.308 0.455 18466 2598 1 4 . 1 1 72 72 TYR H H 571 7.624 7.624 7.838 -0.214 18466 2599 1 4 . 1 1 73 73 HIS N N 572 108.895 108.895 116.044 -7.149 18466 2600 1 4 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.580 -0.389 18466 2601 1 4 . 1 1 73 73 HIS C C 572 173.852 173.852 174.078 -0.226 18466 2602 1 4 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.148 0.722 18466 2603 1 4 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.519 -2.361 18466 2604 1 4 . 1 1 73 73 HIS H H 572 7.532 7.532 7.825 -0.293 18466 2605 1 4 . 1 1 74 74 ILE N N 573 117.580 117.580 119.803 -2.223 18466 2606 1 4 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.553 0.656 18466 2607 1 4 . 1 1 74 74 ILE C C 573 175.691 175.691 175.135 0.556 18466 2608 1 4 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.744 -1.117 18466 2609 1 4 . 1 1 74 74 ILE CB C 573 40.690 40.690 39.088 1.602 18466 2610 1 4 . 1 1 74 74 ILE H H 573 7.310 7.310 7.128 0.182 18466 2611 1 4 . 1 1 75 75 GLY N N 574 111.704 111.704 113.773 -2.069 18466 2612 1 4 . 1 1 75 75 GLY C C 574 173.963 173.963 174.090 -0.127 18466 2613 1 4 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.627 0.308 18466 2614 1 4 . 1 1 75 75 GLY H H 574 10.187 10.187 9.295 0.892 18466 2615 1 4 . 1 1 76 76 ASP N N 575 120.565 120.565 118.863 1.702 18466 2616 1 4 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.684 0.084 18466 2617 1 4 . 1 1 76 76 ASP C C 575 174.774 174.774 175.572 -0.798 18466 2618 1 4 . 1 1 76 76 ASP CA C 575 53.727 53.727 53.940 -0.213 18466 2619 1 4 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.278 -0.442 18466 2620 1 4 . 1 1 76 76 ASP H H 575 8.356 8.356 8.365 -0.009 18466 2621 1 4 . 1 1 77 77 GLU N N 576 114.303 114.303 118.211 -3.908 18466 2622 1 4 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.528 -0.057 18466 2623 1 4 . 1 1 77 77 GLU C C 576 175.374 175.374 175.571 -0.197 18466 2624 1 4 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.690 -0.203 18466 2625 1 4 . 1 1 77 77 GLU CB C 576 33.319 33.319 33.139 0.180 18466 2626 1 4 . 1 1 77 77 GLU H H 576 7.271 7.271 8.110 -0.839 18466 2627 1 4 . 1 1 78 78 ILE N N 577 120.967 120.967 126.716 -5.749 18466 2628 1 4 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.434 -0.857 18466 2629 1 4 . 1 1 78 78 ILE C C 577 174.824 174.824 175.775 -0.951 18466 2630 1 4 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.176 1.152 18466 2631 1 4 . 1 1 78 78 ILE CB C 577 38.410 38.410 37.788 0.622 18466 2632 1 4 . 1 1 78 78 ILE H H 577 8.498 8.498 8.669 -0.171 18466 2633 1 4 . 1 1 79 79 LEU N N 578 132.772 132.772 130.458 2.314 18466 2634 1 4 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.732 0.040 18466 2635 1 4 . 1 1 79 79 LEU C C 578 174.159 174.159 176.056 -1.897 18466 2636 1 4 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.685 0.212 18466 2637 1 4 . 1 1 79 79 LEU CB C 578 44.049 44.049 42.245 1.804 18466 2638 1 4 . 1 1 79 79 LEU H H 578 7.992 7.992 8.233 -0.241 18466 2639 1 4 . 1 1 80 80 VAL N N 579 118.382 118.382 121.194 -2.812 18466 2640 1 4 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.546 0.225 18466 2641 1 4 . 1 1 80 80 VAL C C 579 178.418 178.418 176.694 1.724 18466 2642 1 4 . 1 1 80 80 VAL CA C 579 59.503 59.503 59.956 -0.453 18466 2643 1 4 . 1 1 80 80 VAL CB C 579 33.434 33.434 32.798 0.636 18466 2644 1 4 . 1 1 80 80 VAL H H 579 7.954 7.954 8.269 -0.315 18466 2645 1 4 . 1 1 81 81 SER N N 580 121.875 121.875 117.478 4.397 18466 2646 1 4 . 1 1 81 81 SER HA H 580 3.838 3.838 4.167 -0.329 18466 2647 1 4 . 1 1 81 81 SER C C 580 177.145 177.145 175.836 1.309 18466 2648 1 4 . 1 1 81 81 SER CA C 580 62.909 62.909 61.148 1.761 18466 2649 1 4 . 1 1 81 81 SER CB C 580 62.215 62.215 62.930 -0.715 18466 2650 1 4 . 1 1 81 81 SER H H 580 11.083 11.083 8.733 2.350 18466 2651 1 4 . 1 1 82 82 GLY N N 581 107.458 107.458 106.565 0.893 18466 2652 1 4 . 1 1 82 82 GLY C C 581 174.750 174.750 174.196 0.554 18466 2653 1 4 . 1 1 82 82 GLY CA C 581 45.939 45.939 44.786 1.153 18466 2654 1 4 . 1 1 82 82 GLY H H 581 8.277 8.277 8.422 -0.145 18466 2655 1 4 . 1 1 83 83 GLY N N 582 107.852 107.852 108.211 -0.359 18466 2656 1 4 . 1 1 83 83 GLY C C 582 174.378 174.378 174.874 -0.496 18466 2657 1 4 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.903 -0.376 18466 2658 1 4 . 1 1 83 83 GLY H H 582 8.246 8.246 7.834 0.412 18466 2659 1 4 . 1 1 84 84 ILE N N 583 120.968 120.968 120.767 0.201 18466 2660 1 4 . 1 1 84 84 ILE HA H 583 3.817 3.817 3.990 -0.173 18466 2661 1 4 . 1 1 84 84 ILE C C 583 175.640 175.640 177.255 -1.615 18466 2662 1 4 . 1 1 84 84 ILE CA C 583 62.947 62.947 62.927 0.020 18466 2663 1 4 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.892 0.196 18466 2664 1 4 . 1 1 84 84 ILE H H 583 7.306 7.306 7.260 0.046 18466 2665 1 4 . 1 1 85 85 GLY N N 584 112.093 112.093 107.783 4.310 18466 2666 1 4 . 1 1 85 85 GLY C C 584 173.086 173.086 173.937 -0.851 18466 2667 1 4 . 1 1 85 85 GLY CA C 584 45.544 45.544 46.326 -0.782 18466 2668 1 4 . 1 1 85 85 GLY H H 584 7.947 7.947 8.685 -0.738 18466 2669 1 4 . 1 1 86 86 ALA N N 585 125.044 125.044 123.426 1.618 18466 2670 1 4 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.680 -0.366 18466 2671 1 4 . 1 1 86 86 ALA C C 585 177.355 177.355 175.152 2.203 18466 2672 1 4 . 1 1 86 86 ALA CA C 585 54.149 54.149 51.900 2.249 18466 2673 1 4 . 1 1 86 86 ALA CB C 585 19.671 19.671 21.397 -1.726 18466 2674 1 4 . 1 1 86 86 ALA H H 585 8.295 8.295 8.027 0.268 18466 2675 1 4 . 1 1 87 87 LEU N N 586 118.525 118.525 119.638 -1.113 18466 2676 1 4 . 1 1 87 87 LEU HA H 586 4.713 4.713 5.235 -0.522 18466 2677 1 4 . 1 1 87 87 LEU C C 586 175.568 175.568 174.975 0.593 18466 2678 1 4 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.650 1.514 18466 2679 1 4 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.684 -1.989 18466 2680 1 4 . 1 1 87 87 LEU H H 586 7.804 7.804 7.987 -0.183 18466 2681 1 4 . 1 1 88 88 VAL N N 587 128.017 128.017 124.850 3.167 18466 2682 1 4 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.511 -0.208 18466 2683 1 4 . 1 1 88 88 VAL C C 587 174.137 174.137 173.444 0.693 18466 2684 1 4 . 1 1 88 88 VAL CA C 587 61.394 61.394 60.073 1.321 18466 2685 1 4 . 1 1 88 88 VAL CB C 587 35.715 35.715 36.158 -0.443 18466 2686 1 4 . 1 1 88 88 VAL H H 587 9.514 9.514 9.380 0.134 18466 2687 1 4 . 1 1 89 89 ARG N N 588 125.361 125.361 128.297 -2.936 18466 2688 1 4 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.665 0.599 18466 2689 1 4 . 1 1 89 89 ARG C C 588 174.993 174.993 175.219 -0.226 18466 2690 1 4 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.172 -0.405 18466 2691 1 4 . 1 1 89 89 ARG CB C 588 30.134 30.134 29.605 0.529 18466 2692 1 4 . 1 1 89 89 ARG H H 588 8.616 8.616 8.499 0.117 18466 2693 1 4 . 1 1 90 90 LEU N N 589 128.011 128.011 128.529 -0.518 18466 2694 1 4 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.573 -0.005 18466 2695 1 4 . 1 1 90 90 LEU C C 589 174.937 174.937 175.487 -0.550 18466 2696 1 4 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.906 -0.737 18466 2697 1 4 . 1 1 90 90 LEU CB C 589 46.013 46.013 43.672 2.341 18466 2698 1 4 . 1 1 90 90 LEU H H 589 8.814 8.814 9.151 -0.337 18466 2699 1 4 . 1 1 91 91 LYS N N 590 129.467 129.467 127.563 1.904 18466 2700 1 4 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.625 -0.597 18466 2701 1 4 . 1 1 91 91 LYS C C 590 174.523 174.523 176.375 -1.852 18466 2702 1 4 . 1 1 91 91 LYS CA C 590 58.450 58.450 57.201 1.249 18466 2703 1 4 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.434 -1.036 18466 2704 1 4 . 1 1 91 91 LYS H H 590 9.414 9.414 9.381 0.033 18466 2705 1 4 . 1 1 92 92 SER N N 591 121.877 121.877 116.503 5.374 18466 2706 1 4 . 1 1 92 92 SER HA H 591 5.622 5.622 5.184 0.438 18466 2707 1 4 . 1 1 92 92 SER C C 591 178.072 178.072 176.033 2.039 18466 2708 1 4 . 1 1 92 92 SER CA C 591 58.281 58.281 56.377 1.904 18466 2709 1 4 . 1 1 92 92 SER CB C 591 67.446 67.446 65.980 1.466 18466 2710 1 4 . 1 1 92 92 SER H H 591 7.965 7.965 8.896 -0.931 18466 2711 1 4 . 1 1 93 93 LEU N N 592 121.378 121.378 122.594 -1.216 18466 2712 1 4 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.119 0.184 18466 2713 1 4 . 1 1 93 93 LEU C C 592 178.509 178.509 177.542 0.967 18466 2714 1 4 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.607 -0.343 18466 2715 1 4 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.377 0.014 18466 2716 1 4 . 1 1 93 93 LEU H H 592 9.327 9.327 8.832 0.495 18466 2717 1 4 . 1 1 94 94 GLN N N 593 119.354 119.354 116.815 2.539 18466 2718 1 4 . 1 1 94 94 GLN C C 593 176.197 176.197 177.336 -1.139 18466 2719 1 4 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.475 -0.977 18466 2720 1 4 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.622 -2.343 18466 2721 1 4 . 1 1 94 94 GLN H H 593 7.526 7.526 7.754 -0.228 18466 2722 1 4 . 1 1 95 95 GLY N N 594 109.497 109.497 107.120 2.377 18466 2723 1 4 . 1 1 95 95 GLY C C 594 174.379 174.379 173.934 0.445 18466 2724 1 4 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.778 0.690 18466 2725 1 4 . 1 1 95 95 GLY H H 594 7.632 7.632 7.918 -0.286 18466 2726 1 4 . 1 1 96 96 ASP N N 595 121.403 121.403 121.455 -0.052 18466 2727 1 4 . 1 1 96 96 ASP HA H 595 4.900 4.900 5.027 -0.127 18466 2728 1 4 . 1 1 96 96 ASP C C 595 177.399 177.399 174.487 2.912 18466 2729 1 4 . 1 1 96 96 ASP CA C 595 54.569 54.569 52.641 1.928 18466 2730 1 4 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.615 -1.324 18466 2731 1 4 . 1 1 96 96 ASP H H 595 8.835 8.835 7.840 0.995 18466 2732 1 4 . 1 1 97 97 LYS N N 596 119.362 119.362 118.998 0.364 18466 2733 1 4 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.782 0.262 18466 2734 1 4 . 1 1 97 97 LYS C C 596 176.620 176.620 175.166 1.454 18466 2735 1 4 . 1 1 97 97 LYS CA C 596 56.128 56.128 54.478 1.650 18466 2736 1 4 . 1 1 97 97 LYS CB C 596 33.880 33.880 34.655 -0.775 18466 2737 1 4 . 1 1 97 97 LYS H H 596 9.018 9.018 8.515 0.503 18466 2738 1 4 . 1 1 98 98 LEU N N 597 125.543 125.543 125.130 0.413 18466 2739 1 4 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.377 -0.023 18466 2740 1 4 . 1 1 98 98 LEU C C 597 176.218 176.218 176.003 0.215 18466 2741 1 4 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.227 0.710 18466 2742 1 4 . 1 1 98 98 LEU CB C 597 45.114 45.114 40.688 4.426 18466 2743 1 4 . 1 1 98 98 LEU H H 597 9.304 9.304 9.238 0.066 18466 2744 1 4 . 1 1 99 99 GLU N N 598 121.122 121.122 126.426 -5.304 18466 2745 1 4 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.504 0.134 18466 2746 1 4 . 1 1 99 99 GLU C C 598 175.099 175.099 175.649 -0.550 18466 2747 1 4 . 1 1 99 99 GLU CA C 598 55.729 55.729 56.258 -0.529 18466 2748 1 4 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.480 1.074 18466 2749 1 4 . 1 1 99 99 GLU H H 598 8.314 8.314 9.539 -1.225 18466 2750 1 4 . 1 1 100 100 VAL N N 599 130.705 130.705 126.991 3.714 18466 2751 1 4 . 1 1 100 100 VAL HA H 599 5.043 5.043 5.229 -0.186 18466 2752 1 4 . 1 1 100 100 VAL C C 599 173.758 173.758 175.258 -1.500 18466 2753 1 4 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.084 0.021 18466 2754 1 4 . 1 1 100 100 VAL CB C 599 32.772 32.772 32.488 0.284 18466 2755 1 4 . 1 1 100 100 VAL H H 599 9.330 9.330 8.489 0.841 18466 2756 1 4 . 1 1 101 101 SER N N 600 119.932 119.932 120.924 -0.992 18466 2757 1 4 . 1 1 101 101 SER HA H 600 4.942 4.942 5.171 -0.229 18466 2758 1 4 . 1 1 101 101 SER C C 600 171.934 171.934 172.078 -0.144 18466 2759 1 4 . 1 1 101 101 SER CA C 600 56.624 56.624 56.294 0.330 18466 2760 1 4 . 1 1 101 101 SER CB C 600 67.420 67.420 66.243 1.177 18466 2761 1 4 . 1 1 101 101 SER H H 600 9.016 9.016 9.019 -0.003 18466 2762 1 4 . 1 1 102 102 LEU N N 601 122.984 122.984 124.215 -1.231 18466 2763 1 4 . 1 1 102 102 LEU HA H 601 5.047 5.047 4.933 0.114 18466 2764 1 4 . 1 1 102 102 LEU C C 601 175.753 175.753 174.298 1.455 18466 2765 1 4 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.586 -0.293 18466 2766 1 4 . 1 1 102 102 LEU CB C 601 45.099 45.099 45.313 -0.214 18466 2767 1 4 . 1 1 102 102 LEU H H 601 7.919 7.919 8.632 -0.713 18466 2768 1 4 . 1 1 103 103 LYS N N 602 126.471 126.471 125.027 1.444 18466 2769 1 4 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.741 -0.286 18466 2770 1 4 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.207 0.491 18466 2771 1 4 . 1 1 103 103 LYS CB C 602 35.012 35.012 34.194 0.818 18466 2772 1 4 . 1 1 103 103 LYS H H 602 8.335 8.335 8.250 0.085 18466 2773 1 4 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.364 -0.071 18466 2774 1 4 . 1 1 104 104 ASN C C 603 174.155 174.155 174.738 -0.583 18466 2775 1 4 . 1 1 104 104 ASN CA C 603 54.747 54.747 53.928 0.819 18466 2776 1 4 . 1 1 104 104 ASN CB C 603 37.176 37.176 38.075 -0.899 18466 2777 1 4 . 1 1 105 105 ASN N N 604 108.810 108.810 110.686 -1.876 18466 2778 1 4 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.313 -0.146 18466 2779 1 4 . 1 1 105 105 ASN C C 604 173.758 173.758 173.602 0.156 18466 2780 1 4 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.815 0.360 18466 2781 1 4 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.182 0.025 18466 2782 1 4 . 1 1 105 105 ASN H H 604 8.680 8.680 8.385 0.295 18466 2783 1 4 . 1 1 106 106 VAL N N 605 121.572 121.572 120.745 0.827 18466 2784 1 4 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.046 0.242 18466 2785 1 4 . 1 1 106 106 VAL C C 605 176.336 176.336 175.156 1.180 18466 2786 1 4 . 1 1 106 106 VAL CA C 605 62.139 62.139 62.248 -0.109 18466 2787 1 4 . 1 1 106 106 VAL CB C 605 34.436 34.436 31.968 2.468 18466 2788 1 4 . 1 1 106 106 VAL H H 605 7.908 7.908 7.566 0.342 18466 2789 1 4 . 1 1 107 107 VAL N N 606 133.223 133.223 130.310 2.913 18466 2790 1 4 . 1 1 107 107 VAL HA H 606 4.627 4.627 4.933 -0.306 18466 2791 1 4 . 1 1 107 107 VAL C C 606 174.704 174.704 174.855 -0.151 18466 2792 1 4 . 1 1 107 107 VAL CA C 606 61.787 61.787 61.379 0.408 18466 2793 1 4 . 1 1 107 107 VAL CB C 606 32.211 32.211 33.669 -1.458 18466 2794 1 4 . 1 1 107 107 VAL H H 606 9.418 9.418 8.416 1.002 18466 2795 1 4 . 1 1 108 108 SER N N 607 120.743 120.743 124.548 -3.805 18466 2796 1 4 . 1 1 108 108 SER HA H 607 5.365 5.365 5.062 0.303 18466 2797 1 4 . 1 1 108 108 SER C C 607 171.934 171.934 172.162 -0.228 18466 2798 1 4 . 1 1 108 108 SER CA C 607 56.958 56.958 56.617 0.341 18466 2799 1 4 . 1 1 108 108 SER CB C 607 66.469 66.469 66.415 0.054 18466 2800 1 4 . 1 1 108 108 SER H H 607 9.123 9.123 8.677 0.446 18466 2801 1 4 . 1 1 109 109 VAL N N 608 121.138 121.138 122.691 -1.553 18466 2802 1 4 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.502 0.278 18466 2803 1 4 . 1 1 109 109 VAL C C 608 173.903 173.903 174.965 -1.062 18466 2804 1 4 . 1 1 109 109 VAL CA C 608 57.399 57.399 59.909 -2.510 18466 2805 1 4 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.814 0.148 18466 2806 1 4 . 1 1 109 109 VAL H H 608 9.144 9.144 8.836 0.308 18466 2807 1 4 . 1 1 110 110 ASN N N 609 128.266 128.266 128.029 0.237 18466 2808 1 4 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.222 0.043 18466 2809 1 4 . 1 1 110 110 ASN C C 609 175.296 175.296 174.869 0.427 18466 2810 1 4 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.567 -0.559 18466 2811 1 4 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.525 -0.604 18466 2812 1 4 . 1 1 110 110 ASN H H 609 9.783 9.783 9.180 0.603 18466 2813 1 4 . 1 1 111 111 LYS N N 610 107.513 107.513 112.838 -5.325 18466 2814 1 4 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.956 -0.308 18466 2815 1 4 . 1 1 111 111 LYS C C 610 175.617 175.617 175.350 0.267 18466 2816 1 4 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.379 0.024 18466 2817 1 4 . 1 1 111 111 LYS CB C 610 30.521 30.521 32.205 -1.684 18466 2818 1 4 . 1 1 111 111 LYS H H 610 8.302 8.302 8.534 -0.232 18466 2819 1 4 . 1 1 112 112 GLU N N 611 125.401 125.401 120.634 4.767 18466 2820 1 4 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.638 0.161 18466 2821 1 4 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.696 -0.790 18466 2822 1 4 . 1 1 112 112 GLU H H 611 8.565 8.565 7.475 1.090 18466 2823 1 4 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.494 0.192 18466 2824 1 4 . 1 1 113 113 PRO C C 612 177.464 177.464 176.045 1.419 18466 2825 1 4 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.441 0.222 18466 2826 1 4 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.418 -0.267 18466 2827 1 4 . 1 1 114 114 VAL N N 613 124.842 124.842 122.164 2.678 18466 2828 1 4 . 1 1 114 114 VAL HA H 613 4.284 4.284 4.062 0.222 18466 2829 1 4 . 1 1 114 114 VAL C C 613 176.520 176.520 176.106 0.414 18466 2830 1 4 . 1 1 114 114 VAL CA C 613 62.290 62.290 61.739 0.551 18466 2831 1 4 . 1 1 114 114 VAL CB C 613 32.203 32.203 31.513 0.690 18466 2832 1 4 . 1 1 114 114 VAL H H 613 9.226 9.226 7.836 1.390 18466 2833 1 4 . 1 1 115 115 ALA N N 614 132.511 132.511 132.047 0.464 18466 2834 1 4 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.313 0.024 18466 2835 1 4 . 1 1 115 115 ALA C C 614 178.395 178.395 177.109 1.286 18466 2836 1 4 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.419 0.603 18466 2837 1 4 . 1 1 115 115 ALA CB C 614 19.663 19.663 20.017 -0.353 18466 2838 1 4 . 1 1 115 115 ALA H H 614 8.910 8.910 8.969 -0.059 18466 2839 1 4 . 1 1 116 116 GLU N N 615 115.091 115.091 116.617 -1.526 18466 2840 1 4 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.804 0.069 18466 2841 1 4 . 1 1 116 116 GLU CA C 615 53.488 53.488 54.026 -0.538 18466 2842 1 4 . 1 1 116 116 GLU H H 615 6.869 6.869 7.817 -0.948 18466 2843 1 4 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.127 0.517 18466 2844 1 4 . 1 1 117 117 PRO C C 616 177.124 177.124 176.897 0.227 18466 2845 1 4 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.615 -0.577 18466 2846 1 4 . 1 1 117 117 PRO CB C 616 33.662 33.662 32.706 0.956 18466 2847 1 4 . 1 1 118 118 ASP N N 617 114.361 114.361 117.866 -3.505 18466 2848 1 4 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.273 -0.388 18466 2849 1 4 . 1 1 118 118 ASP C C 617 174.982 174.982 175.345 -0.363 18466 2850 1 4 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.179 -0.304 18466 2851 1 4 . 1 1 118 118 ASP CB C 617 37.661 37.661 40.330 -2.669 18466 2852 1 4 . 1 1 118 118 ASP H H 617 9.745 9.745 8.493 1.252 18466 2853 1 4 . 1 1 119 119 ILE N N 618 121.057 121.057 121.079 -0.022 18466 2854 1 4 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.163 -0.124 18466 2855 1 4 . 1 1 119 119 ILE C C 618 175.857 175.857 175.362 0.495 18466 2856 1 4 . 1 1 119 119 ILE CA C 618 62.841 62.841 60.838 2.003 18466 2857 1 4 . 1 1 119 119 ILE CB C 618 36.496 36.496 38.474 -1.978 18466 2858 1 4 . 1 1 119 119 ILE H H 618 8.754 8.754 7.760 0.994 18466 2859 1 4 . 1 1 120 120 MET N N 619 125.664 125.664 127.133 -1.469 18466 2860 1 4 . 1 1 120 120 MET HA H 619 4.604 4.604 4.385 0.219 18466 2861 1 4 . 1 1 120 120 MET C C 619 174.825 174.825 175.549 -0.724 18466 2862 1 4 . 1 1 120 120 MET CA C 619 55.006 55.006 54.965 0.041 18466 2863 1 4 . 1 1 120 120 MET CB C 619 31.457 31.457 31.762 -0.305 18466 2864 1 4 . 1 1 120 120 MET H H 619 8.077 8.077 8.643 -0.566 18466 2865 1 4 . 1 1 121 121 ALA N N 620 122.929 122.929 127.571 -4.642 18466 2866 1 4 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.713 0.182 18466 2867 1 4 . 1 1 121 121 ALA C C 620 177.945 177.945 177.077 0.868 18466 2868 1 4 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.754 -0.731 18466 2869 1 4 . 1 1 121 121 ALA CB C 620 23.030 23.030 22.517 0.513 18466 2870 1 4 . 1 1 121 121 ALA H H 620 8.386 8.386 8.254 0.132 18466 2871 1 4 . 1 1 122 122 THR N N 621 111.051 111.051 115.227 -4.176 18466 2872 1 4 . 1 1 122 122 THR HA H 621 4.046 4.046 4.152 -0.106 18466 2873 1 4 . 1 1 122 122 THR C C 621 176.366 176.366 174.999 1.367 18466 2874 1 4 . 1 1 122 122 THR CA C 621 64.526 64.526 65.044 -0.518 18466 2875 1 4 . 1 1 122 122 THR CB C 621 68.423 68.423 69.097 -0.674 18466 2876 1 4 . 1 1 122 122 THR H H 621 9.176 9.176 8.770 0.406 18466 2877 1 4 . 1 1 123 123 ASN N N 622 117.402 117.402 117.051 0.351 18466 2878 1 4 . 1 1 123 123 ASN HA H 622 5.034 5.034 4.977 0.057 18466 2879 1 4 . 1 1 123 123 ASN C C 622 173.258 173.258 174.246 -0.988 18466 2880 1 4 . 1 1 123 123 ASN CA C 622 51.163 51.163 51.621 -0.458 18466 2881 1 4 . 1 1 123 123 ASN CB C 622 37.038 37.038 39.011 -1.974 18466 2882 1 4 . 1 1 123 123 ASN H H 622 7.970 7.970 8.263 -0.293 18466 2883 1 4 . 1 1 124 124 GLY N N 623 102.697 102.697 105.367 -2.670 18466 2884 1 4 . 1 1 124 124 GLY C C 623 169.960 169.960 171.629 -1.669 18466 2885 1 4 . 1 1 124 124 GLY CA C 623 46.700 46.700 45.224 1.476 18466 2886 1 4 . 1 1 124 124 GLY H H 623 6.916 6.916 7.405 -0.489 18466 2887 1 4 . 1 1 125 125 VAL N N 624 120.074 120.074 118.703 1.371 18466 2888 1 4 . 1 1 125 125 VAL HA H 624 4.882 4.882 4.970 -0.088 18466 2889 1 4 . 1 1 125 125 VAL C C 624 170.860 170.860 173.498 -2.638 18466 2890 1 4 . 1 1 125 125 VAL CA C 624 58.597 58.597 59.119 -0.522 18466 2891 1 4 . 1 1 125 125 VAL CB C 624 34.915 34.915 36.340 -1.425 18466 2892 1 4 . 1 1 125 125 VAL H H 624 8.474 8.474 8.349 0.125 18466 2893 1 4 . 1 1 126 126 VAL N N 625 127.537 127.537 123.936 3.601 18466 2894 1 4 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.659 -0.018 18466 2895 1 4 . 1 1 126 126 VAL C C 625 172.913 172.913 173.907 -0.994 18466 2896 1 4 . 1 1 126 126 VAL CA C 625 60.474 60.474 60.115 0.359 18466 2897 1 4 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.451 -0.313 18466 2898 1 4 . 1 1 126 126 VAL H H 625 9.093 9.093 8.594 0.499 18466 2899 1 4 . 1 1 127 127 HIS N N 626 124.236 124.236 125.378 -1.142 18466 2900 1 4 . 1 1 127 127 HIS HA H 626 5.499 5.499 5.053 0.446 18466 2901 1 4 . 1 1 127 127 HIS C C 626 175.690 175.690 175.188 0.502 18466 2902 1 4 . 1 1 127 127 HIS CA C 626 53.204 53.204 53.970 -0.766 18466 2903 1 4 . 1 1 127 127 HIS CB C 626 34.315 34.315 31.198 3.117 18466 2904 1 4 . 1 1 127 127 HIS H H 626 8.732 8.732 8.526 0.206 18466 2905 1 4 . 1 1 128 128 VAL N N 627 124.683 124.683 126.658 -1.975 18466 2906 1 4 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.234 0.259 18466 2907 1 4 . 1 1 128 128 VAL C C 627 176.380 176.380 175.705 0.675 18466 2908 1 4 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.921 0.836 18466 2909 1 4 . 1 1 128 128 VAL CB C 627 32.888 32.888 32.073 0.815 18466 2910 1 4 . 1 1 128 128 VAL H H 627 8.827 8.827 8.791 0.036 18466 2911 1 4 . 1 1 129 129 ILE N N 628 121.094 121.094 120.438 0.656 18466 2912 1 4 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.885 0.258 18466 2913 1 4 . 1 1 129 129 ILE C C 628 175.099 175.099 176.209 -1.110 18466 2914 1 4 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.183 1.072 18466 2915 1 4 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.871 0.742 18466 2916 1 4 . 1 1 129 129 ILE H H 628 8.650 8.650 8.896 -0.246 18466 2917 1 4 . 1 1 130 130 THR N N 629 108.406 108.406 113.018 -4.612 18466 2918 1 4 . 1 1 130 130 THR HA H 629 4.666 4.666 4.511 0.155 18466 2919 1 4 . 1 1 130 130 THR C C 629 173.079 173.079 174.295 -1.216 18466 2920 1 4 . 1 1 130 130 THR CA C 629 61.373 61.373 61.852 -0.479 18466 2921 1 4 . 1 1 130 130 THR CB C 629 68.776 68.776 69.639 -0.863 18466 2922 1 4 . 1 1 130 130 THR H H 629 9.359 9.359 8.629 0.730 18466 2923 1 4 . 1 1 131 131 ASN N N 630 117.726 117.726 118.803 -1.077 18466 2924 1 4 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.927 -0.107 18466 2925 1 4 . 1 1 131 131 ASN C C 630 172.152 172.152 173.912 -1.760 18466 2926 1 4 . 1 1 131 131 ASN CA C 630 52.538 52.538 52.031 0.507 18466 2927 1 4 . 1 1 131 131 ASN CB C 630 43.071 43.071 41.801 1.270 18466 2928 1 4 . 1 1 131 131 ASN H H 630 7.404 7.404 7.823 -0.419 18466 2929 1 4 . 1 1 132 132 VAL N N 631 118.213 118.213 120.125 -1.912 18466 2930 1 4 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.116 -0.128 18466 2931 1 4 . 1 1 132 132 VAL C C 631 176.686 176.686 175.749 0.937 18466 2932 1 4 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.827 0.531 18466 2933 1 4 . 1 1 132 132 VAL CB C 631 32.611 32.611 32.123 0.488 18466 2934 1 4 . 1 1 132 132 VAL H H 631 8.137 8.137 8.272 -0.135 18466 2935 1 4 . 1 1 133 133 LEU N N 632 132.179 132.179 129.409 2.770 18466 2936 1 4 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.187 0.022 18466 2937 1 4 . 1 1 133 133 LEU C C 632 175.569 175.569 175.791 -0.222 18466 2938 1 4 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.675 0.540 18466 2939 1 4 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.002 0.471 18466 2940 1 4 . 1 1 133 133 LEU H H 632 10.917 10.917 8.463 2.454 18466 2941 1 4 . 1 1 134 134 GLN N N 633 115.538 115.538 125.391 -9.853 18466 2942 1 4 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.689 0.092 18466 2943 1 4 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.496 -0.104 18466 2944 1 4 . 1 1 134 134 GLN H H 633 7.765 7.765 8.158 -0.393 18466 2945 1 5 . 1 1 3 3 MET C C 502 175.880 175.880 175.394 0.486 18466 2946 1 5 . 1 1 3 3 MET CA C 502 55.950 55.950 54.113 1.837 18466 2947 1 5 . 1 1 3 3 MET CB C 502 34.203 34.203 31.695 2.508 18466 2948 1 5 . 1 1 4 4 GLY N N 503 111.090 111.090 110.636 0.454 18466 2949 1 5 . 1 1 4 4 GLY C C 503 174.009 174.009 173.476 0.533 18466 2950 1 5 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.353 0.124 18466 2951 1 5 . 1 1 4 4 GLY H H 503 8.375 8.375 8.302 0.073 18466 2952 1 5 . 1 1 5 5 THR N N 504 111.543 111.543 112.723 -1.180 18466 2953 1 5 . 1 1 5 5 THR HA H 504 4.437 4.437 4.494 -0.057 18466 2954 1 5 . 1 1 5 5 THR C C 504 176.361 176.361 176.764 -0.403 18466 2955 1 5 . 1 1 5 5 THR CA C 504 61.972 61.972 61.758 0.214 18466 2956 1 5 . 1 1 5 5 THR CB C 504 73.041 73.041 71.016 2.025 18466 2957 1 5 . 1 1 5 5 THR H H 504 9.227 9.227 8.163 1.064 18466 2958 1 5 . 1 1 6 6 VAL N N 505 118.236 118.236 119.844 -1.608 18466 2959 1 5 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.624 -0.371 18466 2960 1 5 . 1 1 6 6 VAL C C 505 177.287 177.287 178.040 -0.753 18466 2961 1 5 . 1 1 6 6 VAL CA C 505 67.124 67.124 66.168 0.955 18466 2962 1 5 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.539 -0.042 18466 2963 1 5 . 1 1 6 6 VAL H H 505 9.896 9.896 8.454 1.442 18466 2964 1 5 . 1 1 7 7 MET N N 506 114.146 114.146 116.841 -2.695 18466 2965 1 5 . 1 1 7 7 MET HA H 506 4.358 4.358 4.177 0.181 18466 2966 1 5 . 1 1 7 7 MET C C 506 178.126 178.126 178.250 -0.124 18466 2967 1 5 . 1 1 7 7 MET CA C 506 56.050 56.050 57.104 -1.054 18466 2968 1 5 . 1 1 7 7 MET CB C 506 30.608 30.608 31.040 -0.432 18466 2969 1 5 . 1 1 7 7 MET H H 506 6.970 6.970 8.143 -1.173 18466 2970 1 5 . 1 1 8 8 ASP N N 507 120.413 120.413 118.568 1.845 18466 2971 1 5 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.410 -0.157 18466 2972 1 5 . 1 1 8 8 ASP C C 507 179.824 179.824 177.590 2.234 18466 2973 1 5 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.112 1.034 18466 2974 1 5 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.868 -0.390 18466 2975 1 5 . 1 1 8 8 ASP H H 507 7.433 7.433 7.816 -0.383 18466 2976 1 5 . 1 1 9 9 VAL N N 508 121.366 121.366 118.094 3.272 18466 2977 1 5 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.943 -0.378 18466 2978 1 5 . 1 1 9 9 VAL C C 508 179.112 179.112 178.256 0.856 18466 2979 1 5 . 1 1 9 9 VAL CA C 508 66.149 66.149 65.266 0.883 18466 2980 1 5 . 1 1 9 9 VAL CB C 508 31.570 31.570 32.243 -0.673 18466 2981 1 5 . 1 1 9 9 VAL H H 508 8.157 8.157 7.305 0.852 18466 2982 1 5 . 1 1 10 10 LEU N N 509 117.252 117.252 120.423 -3.171 18466 2983 1 5 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.420 -0.398 18466 2984 1 5 . 1 1 10 10 LEU C C 509 179.092 179.092 178.899 0.193 18466 2985 1 5 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.891 -0.547 18466 2986 1 5 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.172 0.750 18466 2987 1 5 . 1 1 10 10 LEU H H 509 7.859 7.859 8.206 -0.347 18466 2988 1 5 . 1 1 11 11 LYS N N 510 114.815 114.815 116.219 -1.404 18466 2989 1 5 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.332 -0.378 18466 2990 1 5 . 1 1 11 11 LYS C C 510 178.026 178.026 178.049 -0.023 18466 2991 1 5 . 1 1 11 11 LYS CA C 510 59.144 59.144 57.868 1.276 18466 2992 1 5 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.774 -0.077 18466 2993 1 5 . 1 1 11 11 LYS H H 510 8.376 8.376 7.753 0.623 18466 2994 1 5 . 1 1 12 12 GLY N N 511 104.635 104.635 106.484 -1.849 18466 2995 1 5 . 1 1 12 12 GLY C C 511 172.558 172.558 173.717 -1.159 18466 2996 1 5 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.848 0.657 18466 2997 1 5 . 1 1 12 12 GLY H H 511 7.593 7.593 7.548 0.045 18466 2998 1 5 . 1 1 13 13 ASP N N 512 120.111 120.111 118.763 1.348 18466 2999 1 5 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.714 0.281 18466 3000 1 5 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.499 0.084 18466 3001 1 5 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.188 0.770 18466 3002 1 5 . 1 1 13 13 ASP H H 512 7.065 7.065 7.240 -0.175 18466 3003 1 5 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.593 -0.145 18466 3004 1 5 . 1 1 14 14 ASN C C 513 176.736 176.736 176.170 0.566 18466 3005 1 5 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.398 0.494 18466 3006 1 5 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.708 -0.623 18466 3007 1 5 . 1 1 15 15 ARG N N 514 118.917 118.917 119.411 -0.494 18466 3008 1 5 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.345 -0.176 18466 3009 1 5 . 1 1 15 15 ARG C C 514 176.145 176.145 178.236 -2.091 18466 3010 1 5 . 1 1 15 15 ARG CA C 514 58.062 58.062 57.093 0.969 18466 3011 1 5 . 1 1 15 15 ARG CB C 514 30.666 30.666 29.929 0.737 18466 3012 1 5 . 1 1 15 15 ARG H H 514 8.581 8.581 8.283 0.298 18466 3013 1 5 . 1 1 16 16 PHE N N 515 113.226 113.226 119.789 -6.563 18466 3014 1 5 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.543 1.236 18466 3015 1 5 . 1 1 16 16 PHE C C 515 176.587 176.587 177.812 -1.225 18466 3016 1 5 . 1 1 16 16 PHE CA C 515 56.064 56.064 57.819 -1.755 18466 3017 1 5 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.586 0.985 18466 3018 1 5 . 1 1 16 16 PHE H H 515 7.600 7.600 8.897 -1.297 18466 3019 1 5 . 1 1 17 17 SER N N 516 116.620 116.620 115.229 1.391 18466 3020 1 5 . 1 1 17 17 SER HA H 516 4.049 4.049 4.166 -0.117 18466 3021 1 5 . 1 1 17 17 SER C C 516 178.564 178.564 176.249 2.315 18466 3022 1 5 . 1 1 17 17 SER CA C 516 62.683 62.683 61.567 1.116 18466 3023 1 5 . 1 1 17 17 SER CB C 516 62.150 62.150 62.740 -0.591 18466 3024 1 5 . 1 1 17 17 SER H H 516 7.532 7.532 7.931 -0.399 18466 3025 1 5 . 1 1 18 18 MET N N 517 124.356 124.356 121.981 2.375 18466 3026 1 5 . 1 1 18 18 MET HA H 517 3.991 3.991 4.290 -0.299 18466 3027 1 5 . 1 1 18 18 MET C C 517 178.066 178.066 177.608 0.458 18466 3028 1 5 . 1 1 18 18 MET CA C 517 59.462 59.462 58.060 1.402 18466 3029 1 5 . 1 1 18 18 MET CB C 517 31.596 31.596 32.707 -1.111 18466 3030 1 5 . 1 1 18 18 MET H H 517 9.291 9.291 7.527 1.764 18466 3031 1 5 . 1 1 19 19 LEU N N 518 123.835 123.835 121.435 2.400 18466 3032 1 5 . 1 1 19 19 LEU HA H 518 3.921 3.921 3.978 -0.057 18466 3033 1 5 . 1 1 19 19 LEU C C 518 178.217 178.217 178.384 -0.167 18466 3034 1 5 . 1 1 19 19 LEU CA C 518 58.140 58.140 57.995 0.145 18466 3035 1 5 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.494 -0.162 18466 3036 1 5 . 1 1 19 19 LEU H H 518 8.615 8.615 7.482 1.133 18466 3037 1 5 . 1 1 20 20 VAL N N 519 118.876 118.876 119.137 -0.261 18466 3038 1 5 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.607 -0.302 18466 3039 1 5 . 1 1 20 20 VAL C C 519 178.174 178.174 177.936 0.238 18466 3040 1 5 . 1 1 20 20 VAL CA C 519 67.850 67.850 67.120 0.730 18466 3041 1 5 . 1 1 20 20 VAL CB C 519 31.701 31.701 31.005 0.696 18466 3042 1 5 . 1 1 20 20 VAL H H 519 9.059 9.059 8.459 0.600 18466 3043 1 5 . 1 1 21 21 ALA N N 520 122.184 122.184 121.381 0.803 18466 3044 1 5 . 1 1 21 21 ALA HA H 520 4.156 4.156 4.087 0.069 18466 3045 1 5 . 1 1 21 21 ALA C C 520 180.310 180.310 179.101 1.209 18466 3046 1 5 . 1 1 21 21 ALA CA C 520 55.066 55.066 54.933 0.133 18466 3047 1 5 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.839 -0.033 18466 3048 1 5 . 1 1 21 21 ALA H H 520 7.482 7.482 7.295 0.187 18466 3049 1 5 . 1 1 22 22 ALA N N 521 123.379 123.379 122.369 1.010 18466 3050 1 5 . 1 1 22 22 ALA HA H 521 4.102 4.102 4.021 0.081 18466 3051 1 5 . 1 1 22 22 ALA C C 521 178.705 178.705 179.614 -0.909 18466 3052 1 5 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.975 -0.067 18466 3053 1 5 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.290 -0.419 18466 3054 1 5 . 1 1 22 22 ALA H H 521 8.286 8.286 7.542 0.744 18466 3055 1 5 . 1 1 23 23 ILE N N 522 120.263 120.263 119.064 1.199 18466 3056 1 5 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.576 -0.272 18466 3057 1 5 . 1 1 23 23 ILE C C 522 178.025 178.025 177.858 0.167 18466 3058 1 5 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.262 0.717 18466 3059 1 5 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.446 0.922 18466 3060 1 5 . 1 1 23 23 ILE H H 522 8.900 8.900 8.600 0.300 18466 3061 1 5 . 1 1 24 24 GLN N N 523 118.959 118.959 120.833 -1.874 18466 3062 1 5 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.125 0.063 18466 3063 1 5 . 1 1 24 24 GLN C C 523 180.253 180.253 179.337 0.916 18466 3064 1 5 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.940 -0.347 18466 3065 1 5 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.328 -0.695 18466 3066 1 5 . 1 1 24 24 GLN H H 523 7.898 7.898 8.230 -0.332 18466 3067 1 5 . 1 1 25 25 SER N N 524 118.150 118.150 116.988 1.162 18466 3068 1 5 . 1 1 25 25 SER HA H 524 4.188 4.188 4.203 -0.015 18466 3069 1 5 . 1 1 25 25 SER C C 524 175.635 175.635 176.107 -0.472 18466 3070 1 5 . 1 1 25 25 SER CA C 524 61.732 61.732 61.074 0.658 18466 3071 1 5 . 1 1 25 25 SER CB C 524 63.140 63.140 63.064 0.076 18466 3072 1 5 . 1 1 25 25 SER H H 524 8.405 8.405 8.042 0.363 18466 3073 1 5 . 1 1 26 26 ALA N N 525 119.360 119.360 120.999 -1.639 18466 3074 1 5 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.350 0.018 18466 3075 1 5 . 1 1 26 26 ALA C C 525 176.960 176.960 177.427 -0.467 18466 3076 1 5 . 1 1 26 26 ALA CA C 525 52.156 52.156 51.902 0.254 18466 3077 1 5 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.099 0.848 18466 3078 1 5 . 1 1 26 26 ALA H H 525 8.277 8.277 7.701 0.576 18466 3079 1 5 . 1 1 27 27 GLY N N 526 105.968 105.968 106.419 -0.451 18466 3080 1 5 . 1 1 27 27 GLY C C 526 176.602 176.602 175.310 1.292 18466 3081 1 5 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.584 0.891 18466 3082 1 5 . 1 1 27 27 GLY H H 526 7.789 7.789 7.539 0.250 18466 3083 1 5 . 1 1 28 28 LEU N N 527 118.466 118.466 117.632 0.834 18466 3084 1 5 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.616 -0.163 18466 3085 1 5 . 1 1 28 28 LEU C C 527 175.805 175.805 177.953 -2.148 18466 3086 1 5 . 1 1 28 28 LEU CA C 527 54.816 54.816 53.797 1.019 18466 3087 1 5 . 1 1 28 28 LEU CB C 527 45.181 45.181 41.764 3.417 18466 3088 1 5 . 1 1 28 28 LEU H H 527 8.088 8.088 8.100 -0.012 18466 3089 1 5 . 1 1 29 29 THR N N 528 118.037 118.037 115.927 2.110 18466 3090 1 5 . 1 1 29 29 THR HA H 528 3.539 3.539 3.908 -0.369 18466 3091 1 5 . 1 1 29 29 THR C C 528 175.526 175.526 175.665 -0.139 18466 3092 1 5 . 1 1 29 29 THR CA C 528 66.828 66.828 67.065 -0.237 18466 3093 1 5 . 1 1 29 29 THR CB C 528 68.754 68.754 68.323 0.431 18466 3094 1 5 . 1 1 29 29 THR H H 528 7.593 7.593 8.295 -0.702 18466 3095 1 5 . 1 1 30 30 GLU N N 529 117.711 117.711 119.398 -1.687 18466 3096 1 5 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.106 -0.134 18466 3097 1 5 . 1 1 30 30 GLU C C 529 179.395 179.395 178.230 1.165 18466 3098 1 5 . 1 1 30 30 GLU CA C 529 59.788 59.788 58.658 1.129 18466 3099 1 5 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.517 -0.059 18466 3100 1 5 . 1 1 30 30 GLU H H 529 8.304 8.304 8.633 -0.329 18466 3101 1 5 . 1 1 31 31 THR N N 530 116.155 116.155 116.851 -0.696 18466 3102 1 5 . 1 1 31 31 THR HA H 530 3.756 3.756 4.029 -0.273 18466 3103 1 5 . 1 1 31 31 THR C C 530 175.838 175.838 175.825 0.013 18466 3104 1 5 . 1 1 31 31 THR CA C 530 67.156 67.156 66.659 0.497 18466 3105 1 5 . 1 1 31 31 THR CB C 530 69.159 69.159 68.598 0.561 18466 3106 1 5 . 1 1 31 31 THR H H 530 7.692 7.692 7.613 0.079 18466 3107 1 5 . 1 1 32 32 LEU N N 531 116.655 116.655 118.585 -1.930 18466 3108 1 5 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.000 -0.079 18466 3109 1 5 . 1 1 32 32 LEU C C 531 176.177 176.177 177.704 -1.527 18466 3110 1 5 . 1 1 32 32 LEU CA C 531 55.553 55.553 55.831 -0.278 18466 3111 1 5 . 1 1 32 32 LEU CB C 531 41.533 41.533 39.954 1.579 18466 3112 1 5 . 1 1 32 32 LEU H H 531 7.103 7.103 7.472 -0.369 18466 3113 1 5 . 1 1 33 33 ASN N N 532 118.711 118.711 118.266 0.445 18466 3114 1 5 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.536 0.440 18466 3115 1 5 . 1 1 33 33 ASN C C 532 174.819 174.819 175.868 -1.049 18466 3116 1 5 . 1 1 33 33 ASN CA C 532 52.121 52.121 54.410 -2.289 18466 3117 1 5 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.233 1.756 18466 3118 1 5 . 1 1 33 33 ASN H H 532 7.735 7.735 7.325 0.410 18466 3119 1 5 . 1 1 34 34 ARG N N 533 119.777 119.777 120.554 -0.777 18466 3120 1 5 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.293 0.236 18466 3121 1 5 . 1 1 34 34 ARG C C 533 175.340 175.340 176.127 -0.787 18466 3122 1 5 . 1 1 34 34 ARG CA C 533 55.624 55.624 54.954 0.670 18466 3123 1 5 . 1 1 34 34 ARG CB C 533 32.805 32.805 29.595 3.210 18466 3124 1 5 . 1 1 34 34 ARG H H 533 7.287 7.287 7.731 -0.444 18466 3125 1 5 . 1 1 35 35 GLU N N 534 120.198 120.198 123.857 -3.659 18466 3126 1 5 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.252 -0.017 18466 3127 1 5 . 1 1 35 35 GLU C C 534 176.305 176.305 175.677 0.628 18466 3128 1 5 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.605 1.133 18466 3129 1 5 . 1 1 35 35 GLU CB C 534 29.694 29.694 28.481 1.213 18466 3130 1 5 . 1 1 35 35 GLU H H 534 8.517 8.517 8.726 -0.209 18466 3131 1 5 . 1 1 36 36 GLY N N 535 111.018 111.018 110.654 0.364 18466 3132 1 5 . 1 1 36 36 GLY C C 535 170.570 170.570 172.480 -1.910 18466 3133 1 5 . 1 1 36 36 GLY CA C 535 44.825 44.825 44.633 0.192 18466 3134 1 5 . 1 1 36 36 GLY H H 535 7.955 7.955 8.044 -0.089 18466 3135 1 5 . 1 1 37 37 VAL N N 536 114.867 114.867 116.761 -1.894 18466 3136 1 5 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.878 -0.750 18466 3137 1 5 . 1 1 37 37 VAL C C 536 173.020 173.020 174.376 -1.356 18466 3138 1 5 . 1 1 37 37 VAL CA C 536 59.407 59.407 59.680 -0.273 18466 3139 1 5 . 1 1 37 37 VAL CB C 536 33.682 33.682 32.148 1.534 18466 3140 1 5 . 1 1 37 37 VAL H H 536 7.198 7.198 7.893 -0.695 18466 3141 1 5 . 1 1 38 38 TYR N N 537 117.363 117.363 123.535 -6.172 18466 3142 1 5 . 1 1 38 38 TYR HA H 537 5.199 5.199 4.947 0.252 18466 3143 1 5 . 1 1 38 38 TYR C C 537 176.278 176.278 174.977 1.301 18466 3144 1 5 . 1 1 38 38 TYR CA C 537 56.770 56.770 56.798 -0.028 18466 3145 1 5 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.678 -0.134 18466 3146 1 5 . 1 1 38 38 TYR H H 537 7.507 7.507 7.910 -0.403 18466 3147 1 5 . 1 1 39 39 THR N N 538 117.120 117.120 120.284 -3.164 18466 3148 1 5 . 1 1 39 39 THR HA H 538 4.781 4.781 4.629 0.152 18466 3149 1 5 . 1 1 39 39 THR C C 538 173.406 173.406 173.616 -0.210 18466 3150 1 5 . 1 1 39 39 THR CA C 538 62.197 62.197 62.325 -0.128 18466 3151 1 5 . 1 1 39 39 THR CB C 538 70.922 70.922 69.050 1.872 18466 3152 1 5 . 1 1 39 39 THR H H 538 7.906 7.906 8.504 -0.598 18466 3153 1 5 . 1 1 40 40 VAL N N 539 126.768 126.768 127.601 -0.833 18466 3154 1 5 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.658 -0.055 18466 3155 1 5 . 1 1 40 40 VAL C C 539 174.038 174.038 174.234 -0.196 18466 3156 1 5 . 1 1 40 40 VAL CA C 539 61.168 61.168 61.219 -0.052 18466 3157 1 5 . 1 1 40 40 VAL CB C 539 33.995 33.995 32.386 1.609 18466 3158 1 5 . 1 1 40 40 VAL H H 539 9.154 9.154 8.940 0.214 18466 3159 1 5 . 1 1 41 41 PHE N N 540 128.517 128.517 127.355 1.162 18466 3160 1 5 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.112 0.219 18466 3161 1 5 . 1 1 41 41 PHE C C 540 173.429 173.429 175.044 -1.615 18466 3162 1 5 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.405 1.277 18466 3163 1 5 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.796 -1.347 18466 3164 1 5 . 1 1 41 41 PHE H H 540 9.087 9.087 9.136 -0.049 18466 3165 1 5 . 1 1 42 42 ALA N N 541 125.981 125.981 129.500 -3.519 18466 3166 1 5 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.764 -0.181 18466 3167 1 5 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.173 -0.178 18466 3168 1 5 . 1 1 42 42 ALA CB C 541 23.007 23.007 19.088 3.918 18466 3169 1 5 . 1 1 42 42 ALA H H 541 8.666 8.666 8.447 0.219 18466 3170 1 5 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.422 -0.405 18466 3171 1 5 . 1 1 43 43 PRO C C 542 177.809 177.809 177.485 0.324 18466 3172 1 5 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.148 -1.069 18466 3173 1 5 . 1 1 43 43 PRO CB C 542 31.835 31.835 32.125 -0.290 18466 3174 1 5 . 1 1 44 44 THR N N 543 112.053 112.053 115.140 -3.087 18466 3175 1 5 . 1 1 44 44 THR HA H 543 4.464 4.464 4.511 -0.047 18466 3176 1 5 . 1 1 44 44 THR C C 543 176.413 176.413 176.227 0.186 18466 3177 1 5 . 1 1 44 44 THR CA C 543 60.762 60.762 60.476 0.286 18466 3178 1 5 . 1 1 44 44 THR CB C 543 71.542 71.542 70.352 1.190 18466 3179 1 5 . 1 1 44 44 THR H H 543 7.731 7.731 8.496 -0.765 18466 3180 1 5 . 1 1 45 45 ASN N N 544 119.183 119.183 117.853 1.330 18466 3181 1 5 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.720 -0.020 18466 3182 1 5 . 1 1 45 45 ASN C C 544 178.324 178.324 177.155 1.169 18466 3183 1 5 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.321 -0.015 18466 3184 1 5 . 1 1 45 45 ASN CB C 544 37.206 37.206 37.918 -0.712 18466 3185 1 5 . 1 1 45 45 ASN H H 544 8.883 8.883 8.897 -0.014 18466 3186 1 5 . 1 1 46 46 GLU N N 545 118.549 118.549 120.082 -1.533 18466 3187 1 5 . 1 1 46 46 GLU C C 545 178.200 178.200 177.896 0.304 18466 3188 1 5 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.273 0.664 18466 3189 1 5 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.592 0.755 18466 3190 1 5 . 1 1 46 46 GLU H H 545 8.283 8.283 8.813 -0.530 18466 3191 1 5 . 1 1 47 47 ALA N N 546 122.120 122.120 122.124 -0.004 18466 3192 1 5 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.120 -0.076 18466 3193 1 5 . 1 1 47 47 ALA C C 546 180.432 180.432 179.830 0.602 18466 3194 1 5 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.548 0.521 18466 3195 1 5 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.325 1.268 18466 3196 1 5 . 1 1 47 47 ALA H H 546 7.485 7.485 7.472 0.013 18466 3197 1 5 . 1 1 48 48 PHE N N 547 115.213 115.213 116.827 -1.614 18466 3198 1 5 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.328 -0.282 18466 3199 1 5 . 1 1 48 48 PHE C C 547 179.098 179.098 176.818 2.280 18466 3200 1 5 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.193 0.912 18466 3201 1 5 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.604 1.155 18466 3202 1 5 . 1 1 48 48 PHE H H 547 7.363 7.363 7.459 -0.096 18466 3203 1 5 . 1 1 49 49 ARG N N 548 118.451 118.451 119.273 -0.822 18466 3204 1 5 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.144 -0.155 18466 3205 1 5 . 1 1 49 49 ARG C C 548 176.382 176.382 176.559 -0.177 18466 3206 1 5 . 1 1 49 49 ARG CA C 548 58.915 58.915 57.898 1.017 18466 3207 1 5 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.720 -0.570 18466 3208 1 5 . 1 1 49 49 ARG H H 548 8.266 8.266 7.762 0.504 18466 3209 1 5 . 1 1 50 50 ALA N N 549 118.978 118.978 119.709 -0.731 18466 3210 1 5 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.393 -0.114 18466 3211 1 5 . 1 1 50 50 ALA C C 549 178.745 178.745 177.707 1.038 18466 3212 1 5 . 1 1 50 50 ALA CA C 549 52.652 52.652 51.857 0.795 18466 3213 1 5 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.342 -0.395 18466 3214 1 5 . 1 1 50 50 ALA H H 549 7.416 7.416 7.444 -0.028 18466 3215 1 5 . 1 1 51 51 LEU N N 550 119.842 119.842 121.875 -2.033 18466 3216 1 5 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.364 0.167 18466 3217 1 5 . 1 1 51 51 LEU CA C 550 53.313 53.313 53.049 0.264 18466 3218 1 5 . 1 1 51 51 LEU CB C 550 42.418 42.418 41.691 0.727 18466 3219 1 5 . 1 1 51 51 LEU H H 550 7.138 7.138 7.280 -0.142 18466 3220 1 5 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.699 0.090 18466 3221 1 5 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.938 -0.154 18466 3222 1 5 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.073 0.269 18466 3223 1 5 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.083 0.032 18466 3224 1 5 . 1 1 53 53 PRO CA C 552 66.346 66.346 66.326 0.020 18466 3225 1 5 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.744 1.639 18466 3226 1 5 . 1 1 54 54 ARG C C 553 179.024 179.024 178.546 0.478 18466 3227 1 5 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.202 0.252 18466 3228 1 5 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.354 0.340 18466 3229 1 5 . 1 1 55 55 GLU N N 554 119.712 119.712 120.102 -0.390 18466 3230 1 5 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.190 0.176 18466 3231 1 5 . 1 1 55 55 GLU C C 554 178.437 178.437 178.899 -0.462 18466 3232 1 5 . 1 1 55 55 GLU CA C 554 58.362 58.362 58.896 -0.534 18466 3233 1 5 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.209 0.517 18466 3234 1 5 . 1 1 55 55 GLU H H 554 7.526 7.526 7.728 -0.202 18466 3235 1 5 . 1 1 56 56 ARG N N 555 120.112 120.112 119.086 1.026 18466 3236 1 5 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.198 -0.353 18466 3237 1 5 . 1 1 56 56 ARG C C 555 177.902 177.902 179.028 -1.126 18466 3238 1 5 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.144 1.218 18466 3239 1 5 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.794 0.501 18466 3240 1 5 . 1 1 56 56 ARG H H 555 8.452 8.452 8.717 -0.266 18466 3241 1 5 . 1 1 57 57 SER N N 556 111.829 111.829 115.530 -3.701 18466 3242 1 5 . 1 1 57 57 SER HA H 556 4.138 4.138 4.323 -0.185 18466 3243 1 5 . 1 1 57 57 SER C C 556 177.151 177.151 175.992 1.159 18466 3244 1 5 . 1 1 57 57 SER CA C 556 61.661 61.661 60.668 0.993 18466 3245 1 5 . 1 1 57 57 SER CB C 556 62.874 62.874 62.912 -0.038 18466 3246 1 5 . 1 1 57 57 SER H H 556 8.200 8.200 8.149 0.051 18466 3247 1 5 . 1 1 58 58 ARG N N 557 122.459 122.459 120.943 1.516 18466 3248 1 5 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.204 -0.136 18466 3249 1 5 . 1 1 58 58 ARG C C 557 178.190 178.190 178.757 -0.567 18466 3250 1 5 . 1 1 58 58 ARG CA C 557 59.121 59.121 59.127 -0.006 18466 3251 1 5 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.345 0.163 18466 3252 1 5 . 1 1 58 58 ARG H H 557 7.589 7.589 7.434 0.155 18466 3253 1 5 . 1 1 59 59 LEU N N 558 117.826 117.826 121.265 -3.439 18466 3254 1 5 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.185 -0.076 18466 3255 1 5 . 1 1 59 59 LEU C C 558 177.217 177.217 177.331 -0.114 18466 3256 1 5 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.791 -0.013 18466 3257 1 5 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.328 0.100 18466 3258 1 5 . 1 1 59 59 LEU H H 558 8.034 8.034 8.316 -0.282 18466 3259 1 5 . 1 1 60 60 LEU N N 559 112.187 112.187 116.602 -4.415 18466 3260 1 5 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.408 -0.197 18466 3261 1 5 . 1 1 60 60 LEU C C 559 179.037 179.037 177.381 1.656 18466 3262 1 5 . 1 1 60 60 LEU CA C 559 56.250 56.250 54.863 1.387 18466 3263 1 5 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.695 -0.509 18466 3264 1 5 . 1 1 60 60 LEU H H 559 7.844 7.844 7.606 0.238 18466 3265 1 5 . 1 1 61 61 GLY N N 560 104.550 104.550 107.815 -3.265 18466 3266 1 5 . 1 1 61 61 GLY C C 560 173.292 173.292 173.645 -0.353 18466 3267 1 5 . 1 1 61 61 GLY CA C 560 45.525 45.525 45.298 0.227 18466 3268 1 5 . 1 1 61 61 GLY H H 560 7.565 7.565 7.700 -0.135 18466 3269 1 5 . 1 1 62 62 ASP N N 561 120.720 120.720 122.875 -2.155 18466 3270 1 5 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.746 0.150 18466 3271 1 5 . 1 1 62 62 ASP C C 561 174.791 174.791 176.254 -1.463 18466 3272 1 5 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.642 -1.085 18466 3273 1 5 . 1 1 62 62 ASP CB C 561 42.146 42.146 42.301 -0.155 18466 3274 1 5 . 1 1 62 62 ASP H H 561 7.255 7.255 8.420 -1.165 18466 3275 1 5 . 1 1 63 63 ALA N N 562 126.814 126.814 130.139 -3.325 18466 3276 1 5 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.030 0.011 18466 3277 1 5 . 1 1 63 63 ALA C C 562 180.100 180.100 178.679 1.421 18466 3278 1 5 . 1 1 63 63 ALA CA C 562 55.682 55.682 54.708 0.974 18466 3279 1 5 . 1 1 63 63 ALA CB C 562 18.903 18.903 18.899 0.004 18466 3280 1 5 . 1 1 63 63 ALA H H 562 8.674 8.674 8.883 -0.209 18466 3281 1 5 . 1 1 64 64 LYS N N 563 118.169 118.169 119.163 -0.994 18466 3282 1 5 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.080 0.077 18466 3283 1 5 . 1 1 64 64 LYS C C 563 179.513 179.513 178.419 1.094 18466 3284 1 5 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.174 0.230 18466 3285 1 5 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.759 -0.793 18466 3286 1 5 . 1 1 64 64 LYS H H 563 8.143 8.143 8.425 -0.282 18466 3287 1 5 . 1 1 65 65 GLU N N 564 121.540 121.540 120.481 1.059 18466 3288 1 5 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.082 0.183 18466 3289 1 5 . 1 1 65 65 GLU C C 564 179.400 179.400 178.933 0.467 18466 3290 1 5 . 1 1 65 65 GLU CA C 564 58.381 58.381 59.012 -0.631 18466 3291 1 5 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.614 -0.352 18466 3292 1 5 . 1 1 65 65 GLU H H 564 7.812 7.812 8.626 -0.814 18466 3293 1 5 . 1 1 66 66 LEU N N 565 120.816 120.816 121.240 -0.424 18466 3294 1 5 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.990 0.124 18466 3295 1 5 . 1 1 66 66 LEU C C 565 178.632 178.632 178.642 -0.010 18466 3296 1 5 . 1 1 66 66 LEU CA C 565 58.006 58.006 58.316 -0.310 18466 3297 1 5 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.908 -0.507 18466 3298 1 5 . 1 1 66 66 LEU H H 565 8.757 8.757 8.473 0.284 18466 3299 1 5 . 1 1 67 67 ALA N N 566 118.909 118.909 119.605 -0.696 18466 3300 1 5 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.974 -0.058 18466 3301 1 5 . 1 1 67 67 ALA C C 566 178.874 178.874 179.870 -0.996 18466 3302 1 5 . 1 1 67 67 ALA CA C 566 55.967 55.967 54.925 1.042 18466 3303 1 5 . 1 1 67 67 ALA CB C 566 18.119 18.119 17.960 0.159 18466 3304 1 5 . 1 1 67 67 ALA H H 566 8.058 8.058 7.779 0.279 18466 3305 1 5 . 1 1 68 68 ASN N N 567 115.314 115.314 118.087 -2.773 18466 3306 1 5 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.597 -0.155 18466 3307 1 5 . 1 1 68 68 ASN C C 567 176.598 176.598 178.134 -1.536 18466 3308 1 5 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.127 1.019 18466 3309 1 5 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.907 0.126 18466 3310 1 5 . 1 1 68 68 ASN H H 567 7.478 7.478 7.897 -0.419 18466 3311 1 5 . 1 1 69 69 ILE N N 568 117.111 117.111 120.820 -3.709 18466 3312 1 5 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.921 0.075 18466 3313 1 5 . 1 1 69 69 ILE C C 568 179.707 179.707 178.101 1.606 18466 3314 1 5 . 1 1 69 69 ILE CA C 568 63.604 63.604 63.406 0.198 18466 3315 1 5 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.044 0.384 18466 3316 1 5 . 1 1 69 69 ILE H H 568 8.027 8.027 8.600 -0.573 18466 3317 1 5 . 1 1 70 70 LEU N N 569 121.388 121.388 119.844 1.544 18466 3318 1 5 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.273 -0.173 18466 3319 1 5 . 1 1 70 70 LEU C C 569 179.729 179.729 179.581 0.148 18466 3320 1 5 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.494 1.098 18466 3321 1 5 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.059 0.855 18466 3322 1 5 . 1 1 70 70 LEU H H 569 8.985 8.985 8.403 0.582 18466 3323 1 5 . 1 1 71 71 LYS N N 570 116.226 116.226 119.179 -2.953 18466 3324 1 5 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.117 -0.179 18466 3325 1 5 . 1 1 71 71 LYS C C 570 177.620 177.620 178.363 -0.743 18466 3326 1 5 . 1 1 71 71 LYS CA C 570 60.800 60.800 58.813 1.987 18466 3327 1 5 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.260 0.181 18466 3328 1 5 . 1 1 71 71 LYS H H 570 8.525 8.525 7.652 0.873 18466 3329 1 5 . 1 1 72 72 TYR N N 571 120.076 120.076 117.738 2.338 18466 3330 1 5 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.389 0.235 18466 3331 1 5 . 1 1 72 72 TYR C C 571 171.915 171.915 175.533 -3.618 18466 3332 1 5 . 1 1 72 72 TYR CA C 571 58.886 58.886 58.320 0.566 18466 3333 1 5 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.550 0.213 18466 3334 1 5 . 1 1 72 72 TYR H H 571 7.624 7.624 7.971 -0.347 18466 3335 1 5 . 1 1 73 73 HIS N N 572 108.895 108.895 115.459 -6.564 18466 3336 1 5 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.608 -0.417 18466 3337 1 5 . 1 1 73 73 HIS C C 572 173.852 173.852 174.458 -0.606 18466 3338 1 5 . 1 1 73 73 HIS CA C 572 58.870 58.870 57.677 1.193 18466 3339 1 5 . 1 1 73 73 HIS CB C 572 28.158 28.158 31.202 -3.044 18466 3340 1 5 . 1 1 73 73 HIS H H 572 7.532 7.532 7.706 -0.174 18466 3341 1 5 . 1 1 74 74 ILE N N 573 117.580 117.580 119.650 -2.070 18466 3342 1 5 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.774 0.435 18466 3343 1 5 . 1 1 74 74 ILE C C 573 175.691 175.691 174.865 0.826 18466 3344 1 5 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.270 -0.643 18466 3345 1 5 . 1 1 74 74 ILE CB C 573 40.690 40.690 39.825 0.865 18466 3346 1 5 . 1 1 74 74 ILE H H 573 7.310 7.310 7.390 -0.080 18466 3347 1 5 . 1 1 75 75 GLY N N 574 111.704 111.704 112.856 -1.152 18466 3348 1 5 . 1 1 75 75 GLY C C 574 173.963 173.963 174.962 -0.999 18466 3349 1 5 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.619 0.316 18466 3350 1 5 . 1 1 75 75 GLY H H 574 10.187 10.187 9.092 1.095 18466 3351 1 5 . 1 1 76 76 ASP N N 575 120.565 120.565 117.627 2.938 18466 3352 1 5 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.652 0.116 18466 3353 1 5 . 1 1 76 76 ASP C C 575 174.774 174.774 175.560 -0.786 18466 3354 1 5 . 1 1 76 76 ASP CA C 575 53.727 53.727 54.724 -0.997 18466 3355 1 5 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.615 -0.779 18466 3356 1 5 . 1 1 76 76 ASP H H 575 8.356 8.356 8.377 -0.021 18466 3357 1 5 . 1 1 77 77 GLU N N 576 114.303 114.303 117.973 -3.670 18466 3358 1 5 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.578 -0.107 18466 3359 1 5 . 1 1 77 77 GLU C C 576 175.374 175.374 175.111 0.263 18466 3360 1 5 . 1 1 77 77 GLU CA C 576 54.487 54.487 53.934 0.553 18466 3361 1 5 . 1 1 77 77 GLU CB C 576 33.319 33.319 33.361 -0.042 18466 3362 1 5 . 1 1 77 77 GLU H H 576 7.271 7.271 8.104 -0.833 18466 3363 1 5 . 1 1 78 78 ILE N N 577 120.967 120.967 121.538 -0.571 18466 3364 1 5 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.346 -0.769 18466 3365 1 5 . 1 1 78 78 ILE C C 577 174.824 174.824 175.030 -0.206 18466 3366 1 5 . 1 1 78 78 ILE CA C 577 62.328 62.328 60.510 1.819 18466 3367 1 5 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.566 -0.156 18466 3368 1 5 . 1 1 78 78 ILE H H 577 8.498 8.498 8.504 -0.006 18466 3369 1 5 . 1 1 79 79 LEU N N 578 132.772 132.772 131.030 1.742 18466 3370 1 5 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.807 -0.035 18466 3371 1 5 . 1 1 79 79 LEU C C 578 174.159 174.159 175.042 -0.883 18466 3372 1 5 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.443 0.454 18466 3373 1 5 . 1 1 79 79 LEU CB C 578 44.049 44.049 42.754 1.295 18466 3374 1 5 . 1 1 79 79 LEU H H 578 7.992 7.992 8.658 -0.666 18466 3375 1 5 . 1 1 80 80 VAL N N 579 118.382 118.382 120.079 -1.697 18466 3376 1 5 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.773 -0.002 18466 3377 1 5 . 1 1 80 80 VAL C C 579 178.418 178.418 176.605 1.813 18466 3378 1 5 . 1 1 80 80 VAL CA C 579 59.503 59.503 59.645 -0.142 18466 3379 1 5 . 1 1 80 80 VAL CB C 579 33.434 33.434 34.786 -1.353 18466 3380 1 5 . 1 1 80 80 VAL H H 579 7.954 7.954 8.232 -0.278 18466 3381 1 5 . 1 1 81 81 SER N N 580 121.875 121.875 117.843 4.032 18466 3382 1 5 . 1 1 81 81 SER HA H 580 3.838 3.838 4.263 -0.425 18466 3383 1 5 . 1 1 81 81 SER C C 580 177.145 177.145 176.350 0.795 18466 3384 1 5 . 1 1 81 81 SER CA C 580 62.909 62.909 61.841 1.068 18466 3385 1 5 . 1 1 81 81 SER CB C 580 62.215 62.215 63.015 -0.800 18466 3386 1 5 . 1 1 81 81 SER H H 580 11.083 11.083 9.437 1.646 18466 3387 1 5 . 1 1 82 82 GLY N N 581 107.458 107.458 108.180 -0.722 18466 3388 1 5 . 1 1 82 82 GLY C C 581 174.750 174.750 174.215 0.535 18466 3389 1 5 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.110 0.829 18466 3390 1 5 . 1 1 82 82 GLY H H 581 8.277 8.277 8.433 -0.156 18466 3391 1 5 . 1 1 83 83 GLY N N 582 107.852 107.852 108.905 -1.053 18466 3392 1 5 . 1 1 83 83 GLY C C 582 174.378 174.378 173.567 0.811 18466 3393 1 5 . 1 1 83 83 GLY CA C 582 44.526 44.526 45.104 -0.578 18466 3394 1 5 . 1 1 83 83 GLY H H 582 8.246 8.246 7.665 0.581 18466 3395 1 5 . 1 1 84 84 ILE N N 583 120.968 120.968 121.800 -0.832 18466 3396 1 5 . 1 1 84 84 ILE HA H 583 3.817 3.817 4.395 -0.578 18466 3397 1 5 . 1 1 84 84 ILE C C 583 175.640 175.640 175.248 0.392 18466 3398 1 5 . 1 1 84 84 ILE CA C 583 62.947 62.947 60.427 2.520 18466 3399 1 5 . 1 1 84 84 ILE CB C 583 39.088 39.088 37.630 1.458 18466 3400 1 5 . 1 1 84 84 ILE H H 583 7.306 7.306 7.436 -0.130 18466 3401 1 5 . 1 1 85 85 GLY N N 584 112.093 112.093 112.700 -0.607 18466 3402 1 5 . 1 1 85 85 GLY C C 584 173.086 173.086 173.910 -0.824 18466 3403 1 5 . 1 1 85 85 GLY CA C 584 45.544 45.544 45.682 -0.138 18466 3404 1 5 . 1 1 85 85 GLY H H 584 7.947 7.947 8.818 -0.871 18466 3405 1 5 . 1 1 86 86 ALA N N 585 125.044 125.044 120.380 4.664 18466 3406 1 5 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.491 -0.177 18466 3407 1 5 . 1 1 86 86 ALA C C 585 177.355 177.355 175.209 2.146 18466 3408 1 5 . 1 1 86 86 ALA CA C 585 54.149 54.149 51.775 2.374 18466 3409 1 5 . 1 1 86 86 ALA CB C 585 19.671 19.671 19.892 -0.221 18466 3410 1 5 . 1 1 86 86 ALA H H 585 8.295 8.295 7.811 0.484 18466 3411 1 5 . 1 1 87 87 LEU N N 586 118.525 118.525 120.173 -1.648 18466 3412 1 5 . 1 1 87 87 LEU HA H 586 4.713 4.713 4.971 -0.258 18466 3413 1 5 . 1 1 87 87 LEU C C 586 175.568 175.568 175.049 0.519 18466 3414 1 5 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.456 1.708 18466 3415 1 5 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.907 -2.212 18466 3416 1 5 . 1 1 87 87 LEU H H 586 7.804 7.804 7.928 -0.124 18466 3417 1 5 . 1 1 88 88 VAL N N 587 128.017 128.017 127.107 0.910 18466 3418 1 5 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.375 -0.072 18466 3419 1 5 . 1 1 88 88 VAL C C 587 174.137 174.137 174.361 -0.224 18466 3420 1 5 . 1 1 88 88 VAL CA C 587 61.394 61.394 61.181 0.214 18466 3421 1 5 . 1 1 88 88 VAL CB C 587 35.715 35.715 34.419 1.296 18466 3422 1 5 . 1 1 88 88 VAL H H 587 9.514 9.514 9.155 0.359 18466 3423 1 5 . 1 1 89 89 ARG N N 588 125.361 125.361 127.265 -1.904 18466 3424 1 5 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.619 0.645 18466 3425 1 5 . 1 1 89 89 ARG C C 588 174.993 174.993 175.098 -0.105 18466 3426 1 5 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.683 -0.916 18466 3427 1 5 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.295 -0.161 18466 3428 1 5 . 1 1 89 89 ARG H H 588 8.616 8.616 8.622 -0.006 18466 3429 1 5 . 1 1 90 90 LEU N N 589 128.011 128.011 127.916 0.095 18466 3430 1 5 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.669 -0.101 18466 3431 1 5 . 1 1 90 90 LEU C C 589 174.937 174.937 175.654 -0.717 18466 3432 1 5 . 1 1 90 90 LEU CA C 589 53.169 53.169 52.665 0.504 18466 3433 1 5 . 1 1 90 90 LEU CB C 589 46.013 46.013 44.176 1.837 18466 3434 1 5 . 1 1 90 90 LEU H H 589 8.814 8.814 9.062 -0.248 18466 3435 1 5 . 1 1 91 91 LYS N N 590 129.467 129.467 126.532 2.935 18466 3436 1 5 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.503 -0.475 18466 3437 1 5 . 1 1 91 91 LYS C C 590 174.523 174.523 176.755 -2.232 18466 3438 1 5 . 1 1 91 91 LYS CA C 590 58.450 58.450 56.520 1.930 18466 3439 1 5 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.023 -0.625 18466 3440 1 5 . 1 1 91 91 LYS H H 590 9.414 9.414 8.565 0.849 18466 3441 1 5 . 1 1 92 92 SER N N 591 121.877 121.877 116.483 5.394 18466 3442 1 5 . 1 1 92 92 SER HA H 591 5.622 5.622 5.284 0.338 18466 3443 1 5 . 1 1 92 92 SER C C 591 178.072 178.072 176.104 1.968 18466 3444 1 5 . 1 1 92 92 SER CA C 591 58.281 58.281 56.303 1.978 18466 3445 1 5 . 1 1 92 92 SER CB C 591 67.446 67.446 66.229 1.217 18466 3446 1 5 . 1 1 92 92 SER H H 591 7.965 7.965 8.756 -0.791 18466 3447 1 5 . 1 1 93 93 LEU N N 592 121.378 121.378 122.529 -1.151 18466 3448 1 5 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.198 0.105 18466 3449 1 5 . 1 1 93 93 LEU C C 592 178.509 178.509 178.476 0.033 18466 3450 1 5 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.503 -0.239 18466 3451 1 5 . 1 1 93 93 LEU CB C 592 41.391 41.391 40.723 0.668 18466 3452 1 5 . 1 1 93 93 LEU H H 592 9.327 9.327 8.983 0.344 18466 3453 1 5 . 1 1 94 94 GLN N N 593 119.354 119.354 117.878 1.476 18466 3454 1 5 . 1 1 94 94 GLN C C 593 176.197 176.197 177.161 -0.964 18466 3455 1 5 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.321 -0.823 18466 3456 1 5 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.797 -2.518 18466 3457 1 5 . 1 1 94 94 GLN H H 593 7.526 7.526 8.202 -0.676 18466 3458 1 5 . 1 1 95 95 GLY N N 594 109.497 109.497 106.421 3.076 18466 3459 1 5 . 1 1 95 95 GLY C C 594 174.379 174.379 174.216 0.163 18466 3460 1 5 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.809 0.659 18466 3461 1 5 . 1 1 95 95 GLY H H 594 7.632 7.632 8.128 -0.496 18466 3462 1 5 . 1 1 96 96 ASP N N 595 121.403 121.403 121.132 0.271 18466 3463 1 5 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.821 0.079 18466 3464 1 5 . 1 1 96 96 ASP C C 595 177.399 177.399 175.224 2.175 18466 3465 1 5 . 1 1 96 96 ASP CA C 595 54.569 54.569 52.934 1.635 18466 3466 1 5 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.162 -0.871 18466 3467 1 5 . 1 1 96 96 ASP H H 595 8.835 8.835 7.890 0.945 18466 3468 1 5 . 1 1 97 97 LYS N N 596 119.362 119.362 119.614 -0.252 18466 3469 1 5 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.504 0.540 18466 3470 1 5 . 1 1 97 97 LYS C C 596 176.620 176.620 175.154 1.466 18466 3471 1 5 . 1 1 97 97 LYS CA C 596 56.128 56.128 54.893 1.235 18466 3472 1 5 . 1 1 97 97 LYS CB C 596 33.880 33.880 34.001 -0.121 18466 3473 1 5 . 1 1 97 97 LYS H H 596 9.018 9.018 8.467 0.551 18466 3474 1 5 . 1 1 98 98 LEU N N 597 125.543 125.543 125.482 0.061 18466 3475 1 5 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.508 -0.154 18466 3476 1 5 . 1 1 98 98 LEU C C 597 176.218 176.218 175.525 0.693 18466 3477 1 5 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.887 0.050 18466 3478 1 5 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.541 2.573 18466 3479 1 5 . 1 1 98 98 LEU H H 597 9.304 9.304 9.170 0.134 18466 3480 1 5 . 1 1 99 99 GLU N N 598 121.122 121.122 126.020 -4.898 18466 3481 1 5 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.536 0.102 18466 3482 1 5 . 1 1 99 99 GLU C C 598 175.099 175.099 175.743 -0.644 18466 3483 1 5 . 1 1 99 99 GLU CA C 598 55.729 55.729 55.832 -0.103 18466 3484 1 5 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.521 1.032 18466 3485 1 5 . 1 1 99 99 GLU H H 598 8.314 8.314 9.411 -1.097 18466 3486 1 5 . 1 1 100 100 VAL N N 599 130.705 130.705 127.623 3.082 18466 3487 1 5 . 1 1 100 100 VAL HA H 599 5.043 5.043 4.718 0.325 18466 3488 1 5 . 1 1 100 100 VAL C C 599 173.758 173.758 175.400 -1.642 18466 3489 1 5 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.794 -0.688 18466 3490 1 5 . 1 1 100 100 VAL CB C 599 32.772 32.772 31.202 1.570 18466 3491 1 5 . 1 1 100 100 VAL H H 599 9.330 9.330 8.546 0.784 18466 3492 1 5 . 1 1 101 101 SER N N 600 119.932 119.932 122.918 -2.986 18466 3493 1 5 . 1 1 101 101 SER HA H 600 4.942 4.942 5.240 -0.298 18466 3494 1 5 . 1 1 101 101 SER C C 600 171.934 171.934 172.385 -0.451 18466 3495 1 5 . 1 1 101 101 SER CA C 600 56.624 56.624 56.257 0.367 18466 3496 1 5 . 1 1 101 101 SER CB C 600 67.420 67.420 67.086 0.334 18466 3497 1 5 . 1 1 101 101 SER H H 600 9.016 9.016 9.275 -0.259 18466 3498 1 5 . 1 1 102 102 LEU N N 601 122.984 122.984 123.345 -0.361 18466 3499 1 5 . 1 1 102 102 LEU HA H 601 5.047 5.047 4.973 0.074 18466 3500 1 5 . 1 1 102 102 LEU C C 601 175.753 175.753 174.586 1.167 18466 3501 1 5 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.435 -0.142 18466 3502 1 5 . 1 1 102 102 LEU CB C 601 45.099 45.099 44.807 0.292 18466 3503 1 5 . 1 1 102 102 LEU H H 601 7.919 7.919 8.557 -0.638 18466 3504 1 5 . 1 1 103 103 LYS N N 602 126.471 126.471 126.132 0.339 18466 3505 1 5 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.679 -0.224 18466 3506 1 5 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.566 0.132 18466 3507 1 5 . 1 1 103 103 LYS CB C 602 35.012 35.012 34.527 0.485 18466 3508 1 5 . 1 1 103 103 LYS H H 602 8.335 8.335 9.004 -0.669 18466 3509 1 5 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.388 -0.095 18466 3510 1 5 . 1 1 104 104 ASN C C 603 174.155 174.155 174.269 -0.114 18466 3511 1 5 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.092 0.655 18466 3512 1 5 . 1 1 104 104 ASN CB C 603 37.176 37.176 36.952 0.224 18466 3513 1 5 . 1 1 105 105 ASN N N 604 108.810 108.810 109.069 -0.259 18466 3514 1 5 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.250 -0.083 18466 3515 1 5 . 1 1 105 105 ASN C C 604 173.758 173.758 173.728 0.030 18466 3516 1 5 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.947 0.228 18466 3517 1 5 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.237 -0.030 18466 3518 1 5 . 1 1 105 105 ASN H H 604 8.680 8.680 8.284 0.396 18466 3519 1 5 . 1 1 106 106 VAL N N 605 121.572 121.572 120.362 1.210 18466 3520 1 5 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.271 0.017 18466 3521 1 5 . 1 1 106 106 VAL C C 605 176.336 176.336 174.937 1.399 18466 3522 1 5 . 1 1 106 106 VAL CA C 605 62.139 62.139 61.606 0.533 18466 3523 1 5 . 1 1 106 106 VAL CB C 605 34.436 34.436 33.339 1.097 18466 3524 1 5 . 1 1 106 106 VAL H H 605 7.908 7.908 7.624 0.284 18466 3525 1 5 . 1 1 107 107 VAL N N 606 133.223 133.223 129.178 4.045 18466 3526 1 5 . 1 1 107 107 VAL HA H 606 4.627 4.627 5.059 -0.432 18466 3527 1 5 . 1 1 107 107 VAL C C 606 174.704 174.704 174.929 -0.225 18466 3528 1 5 . 1 1 107 107 VAL CA C 606 61.787 61.787 60.950 0.837 18466 3529 1 5 . 1 1 107 107 VAL CB C 606 32.211 32.211 33.578 -1.367 18466 3530 1 5 . 1 1 107 107 VAL H H 606 9.418 9.418 8.736 0.682 18466 3531 1 5 . 1 1 108 108 SER N N 607 120.743 120.743 124.415 -3.672 18466 3532 1 5 . 1 1 108 108 SER HA H 607 5.365 5.365 5.124 0.241 18466 3533 1 5 . 1 1 108 108 SER C C 607 171.934 171.934 172.267 -0.333 18466 3534 1 5 . 1 1 108 108 SER CA C 607 56.958 56.958 56.561 0.397 18466 3535 1 5 . 1 1 108 108 SER CB C 607 66.469 66.469 66.624 -0.155 18466 3536 1 5 . 1 1 108 108 SER H H 607 9.123 9.123 9.092 0.031 18466 3537 1 5 . 1 1 109 109 VAL N N 608 121.138 121.138 121.191 -0.053 18466 3538 1 5 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.761 0.019 18466 3539 1 5 . 1 1 109 109 VAL C C 608 173.903 173.903 174.572 -0.669 18466 3540 1 5 . 1 1 109 109 VAL CA C 608 57.399 57.399 60.206 -2.808 18466 3541 1 5 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.460 0.502 18466 3542 1 5 . 1 1 109 109 VAL H H 608 9.144 9.144 8.945 0.199 18466 3543 1 5 . 1 1 110 110 ASN N N 609 128.266 128.266 127.090 1.176 18466 3544 1 5 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.330 -0.065 18466 3545 1 5 . 1 1 110 110 ASN C C 609 175.296 175.296 175.572 -0.276 18466 3546 1 5 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.052 -0.044 18466 3547 1 5 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.883 -0.962 18466 3548 1 5 . 1 1 110 110 ASN H H 609 9.783 9.783 8.917 0.866 18466 3549 1 5 . 1 1 111 111 LYS N N 610 107.513 107.513 116.566 -9.053 18466 3550 1 5 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.852 -0.204 18466 3551 1 5 . 1 1 111 111 LYS C C 610 175.617 175.617 175.469 0.148 18466 3552 1 5 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.286 0.117 18466 3553 1 5 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.693 -1.172 18466 3554 1 5 . 1 1 111 111 LYS H H 610 8.302 8.302 8.668 -0.366 18466 3555 1 5 . 1 1 112 112 GLU N N 611 125.401 125.401 120.887 4.514 18466 3556 1 5 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.698 0.101 18466 3557 1 5 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.498 -0.592 18466 3558 1 5 . 1 1 112 112 GLU H H 611 8.565 8.565 7.748 0.817 18466 3559 1 5 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.734 -0.048 18466 3560 1 5 . 1 1 113 113 PRO C C 612 177.464 177.464 176.250 1.214 18466 3561 1 5 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.471 0.192 18466 3562 1 5 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.632 -0.481 18466 3563 1 5 . 1 1 114 114 VAL N N 613 124.842 124.842 120.142 4.700 18466 3564 1 5 . 1 1 114 114 VAL HA H 613 4.284 4.284 4.000 0.284 18466 3565 1 5 . 1 1 114 114 VAL C C 613 176.520 176.520 175.844 0.676 18466 3566 1 5 . 1 1 114 114 VAL CA C 613 62.290 62.290 61.393 0.897 18466 3567 1 5 . 1 1 114 114 VAL CB C 613 32.203 32.203 33.283 -1.080 18466 3568 1 5 . 1 1 114 114 VAL H H 613 9.226 9.226 8.223 1.003 18466 3569 1 5 . 1 1 115 115 ALA N N 614 132.511 132.511 131.690 0.821 18466 3570 1 5 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.307 0.030 18466 3571 1 5 . 1 1 115 115 ALA C C 614 178.395 178.395 177.047 1.348 18466 3572 1 5 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.815 0.207 18466 3573 1 5 . 1 1 115 115 ALA CB C 614 19.663 19.663 19.934 -0.271 18466 3574 1 5 . 1 1 115 115 ALA H H 614 8.910 8.910 9.004 -0.094 18466 3575 1 5 . 1 1 116 116 GLU N N 615 115.091 115.091 117.029 -1.938 18466 3576 1 5 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.877 -0.004 18466 3577 1 5 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.242 0.246 18466 3578 1 5 . 1 1 116 116 GLU H H 615 6.869 6.869 7.861 -0.992 18466 3579 1 5 . 1 1 117 117 PRO HA H 616 5.644 5.644 4.735 0.909 18466 3580 1 5 . 1 1 117 117 PRO C C 616 177.124 177.124 176.122 1.002 18466 3581 1 5 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.474 -0.436 18466 3582 1 5 . 1 1 117 117 PRO CB C 616 33.662 33.662 33.366 0.296 18466 3583 1 5 . 1 1 118 118 ASP N N 617 114.361 114.361 114.788 -0.427 18466 3584 1 5 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.023 -0.138 18466 3585 1 5 . 1 1 118 118 ASP C C 617 174.982 174.982 175.185 -0.203 18466 3586 1 5 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.220 -0.345 18466 3587 1 5 . 1 1 118 118 ASP CB C 617 37.661 37.661 39.605 -1.944 18466 3588 1 5 . 1 1 118 118 ASP H H 617 9.745 9.745 7.728 2.017 18466 3589 1 5 . 1 1 119 119 ILE N N 618 121.057 121.057 121.699 -0.642 18466 3590 1 5 . 1 1 119 119 ILE HA H 618 4.039 4.039 3.910 0.129 18466 3591 1 5 . 1 1 119 119 ILE C C 618 175.857 175.857 175.378 0.479 18466 3592 1 5 . 1 1 119 119 ILE CA C 618 62.841 62.841 62.025 0.816 18466 3593 1 5 . 1 1 119 119 ILE CB C 618 36.496 36.496 37.652 -1.156 18466 3594 1 5 . 1 1 119 119 ILE H H 618 8.754 8.754 7.617 1.137 18466 3595 1 5 . 1 1 120 120 MET N N 619 125.664 125.664 127.459 -1.795 18466 3596 1 5 . 1 1 120 120 MET HA H 619 4.604 4.604 4.493 0.111 18466 3597 1 5 . 1 1 120 120 MET C C 619 174.825 174.825 175.448 -0.623 18466 3598 1 5 . 1 1 120 120 MET CA C 619 55.006 55.006 54.416 0.590 18466 3599 1 5 . 1 1 120 120 MET CB C 619 31.457 31.457 31.331 0.126 18466 3600 1 5 . 1 1 120 120 MET H H 619 8.077 8.077 8.485 -0.408 18466 3601 1 5 . 1 1 121 121 ALA N N 620 122.929 122.929 127.824 -4.895 18466 3602 1 5 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.651 0.244 18466 3603 1 5 . 1 1 121 121 ALA C C 620 177.945 177.945 176.914 1.031 18466 3604 1 5 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.863 -0.840 18466 3605 1 5 . 1 1 121 121 ALA CB C 620 23.030 23.030 21.906 1.124 18466 3606 1 5 . 1 1 121 121 ALA H H 620 8.386 8.386 8.589 -0.203 18466 3607 1 5 . 1 1 122 122 THR N N 621 111.051 111.051 113.315 -2.264 18466 3608 1 5 . 1 1 122 122 THR HA H 621 4.046 4.046 4.234 -0.188 18466 3609 1 5 . 1 1 122 122 THR C C 621 176.366 176.366 175.328 1.038 18466 3610 1 5 . 1 1 122 122 THR CA C 621 64.526 64.526 64.210 0.316 18466 3611 1 5 . 1 1 122 122 THR CB C 621 68.423 68.423 69.091 -0.668 18466 3612 1 5 . 1 1 122 122 THR H H 621 9.176 9.176 8.798 0.378 18466 3613 1 5 . 1 1 123 123 ASN N N 622 117.402 117.402 116.047 1.355 18466 3614 1 5 . 1 1 123 123 ASN HA H 622 5.034 5.034 4.799 0.235 18466 3615 1 5 . 1 1 123 123 ASN C C 622 173.258 173.258 173.738 -0.480 18466 3616 1 5 . 1 1 123 123 ASN CA C 622 51.163 51.163 53.096 -1.933 18466 3617 1 5 . 1 1 123 123 ASN CB C 622 37.038 37.038 40.491 -3.453 18466 3618 1 5 . 1 1 123 123 ASN H H 622 7.970 7.970 8.115 -0.145 18466 3619 1 5 . 1 1 124 124 GLY N N 623 102.697 102.697 107.110 -4.413 18466 3620 1 5 . 1 1 124 124 GLY C C 623 169.960 169.960 171.218 -1.258 18466 3621 1 5 . 1 1 124 124 GLY CA C 623 46.700 46.700 45.559 1.141 18466 3622 1 5 . 1 1 124 124 GLY H H 623 6.916 6.916 7.454 -0.538 18466 3623 1 5 . 1 1 125 125 VAL N N 624 120.074 120.074 117.955 2.119 18466 3624 1 5 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.207 -0.325 18466 3625 1 5 . 1 1 125 125 VAL C C 624 170.860 170.860 173.602 -2.742 18466 3626 1 5 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.779 -0.182 18466 3627 1 5 . 1 1 125 125 VAL CB C 624 34.915 34.915 35.521 -0.606 18466 3628 1 5 . 1 1 125 125 VAL H H 624 8.474 8.474 8.247 0.227 18466 3629 1 5 . 1 1 126 126 VAL N N 625 127.537 127.537 124.083 3.454 18466 3630 1 5 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.916 -0.275 18466 3631 1 5 . 1 1 126 126 VAL C C 625 172.913 172.913 174.193 -1.280 18466 3632 1 5 . 1 1 126 126 VAL CA C 625 60.474 60.474 59.913 0.561 18466 3633 1 5 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.235 -0.097 18466 3634 1 5 . 1 1 126 126 VAL H H 625 9.093 9.093 8.409 0.684 18466 3635 1 5 . 1 1 127 127 HIS N N 626 124.236 124.236 124.771 -0.535 18466 3636 1 5 . 1 1 127 127 HIS HA H 626 5.499 5.499 5.135 0.364 18466 3637 1 5 . 1 1 127 127 HIS C C 626 175.690 175.690 175.264 0.426 18466 3638 1 5 . 1 1 127 127 HIS CA C 626 53.204 53.204 54.108 -0.903 18466 3639 1 5 . 1 1 127 127 HIS CB C 626 34.315 34.315 32.153 2.162 18466 3640 1 5 . 1 1 127 127 HIS H H 626 8.732 8.732 8.986 -0.254 18466 3641 1 5 . 1 1 128 128 VAL N N 627 124.683 124.683 126.850 -2.167 18466 3642 1 5 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.283 0.210 18466 3643 1 5 . 1 1 128 128 VAL C C 627 176.380 176.380 175.605 0.775 18466 3644 1 5 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.946 0.811 18466 3645 1 5 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.912 0.976 18466 3646 1 5 . 1 1 128 128 VAL H H 627 8.827 8.827 8.842 -0.015 18466 3647 1 5 . 1 1 129 129 ILE N N 628 121.094 121.094 120.991 0.103 18466 3648 1 5 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.878 0.265 18466 3649 1 5 . 1 1 129 129 ILE C C 628 175.099 175.099 176.078 -0.979 18466 3650 1 5 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.108 1.147 18466 3651 1 5 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.066 1.546 18466 3652 1 5 . 1 1 129 129 ILE H H 628 8.650 8.650 8.640 0.010 18466 3653 1 5 . 1 1 130 130 THR N N 629 108.406 108.406 113.629 -5.223 18466 3654 1 5 . 1 1 130 130 THR HA H 629 4.666 4.666 4.436 0.230 18466 3655 1 5 . 1 1 130 130 THR C C 629 173.079 173.079 174.272 -1.193 18466 3656 1 5 . 1 1 130 130 THR CA C 629 61.373 61.373 62.567 -1.194 18466 3657 1 5 . 1 1 130 130 THR CB C 629 68.776 68.776 69.676 -0.900 18466 3658 1 5 . 1 1 130 130 THR H H 629 9.359 9.359 8.885 0.474 18466 3659 1 5 . 1 1 131 131 ASN N N 630 117.726 117.726 117.451 0.275 18466 3660 1 5 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.928 -0.108 18466 3661 1 5 . 1 1 131 131 ASN C C 630 172.152 172.152 173.909 -1.757 18466 3662 1 5 . 1 1 131 131 ASN CA C 630 52.538 52.538 52.059 0.479 18466 3663 1 5 . 1 1 131 131 ASN CB C 630 43.071 43.071 41.935 1.136 18466 3664 1 5 . 1 1 131 131 ASN H H 630 7.404 7.404 7.799 -0.395 18466 3665 1 5 . 1 1 132 132 VAL N N 631 118.213 118.213 120.315 -2.102 18466 3666 1 5 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.119 -0.131 18466 3667 1 5 . 1 1 132 132 VAL C C 631 176.686 176.686 176.012 0.674 18466 3668 1 5 . 1 1 132 132 VAL CA C 631 62.358 62.358 62.181 0.177 18466 3669 1 5 . 1 1 132 132 VAL CB C 631 32.611 32.611 32.397 0.214 18466 3670 1 5 . 1 1 132 132 VAL H H 631 8.137 8.137 8.290 -0.153 18466 3671 1 5 . 1 1 133 133 LEU N N 632 132.179 132.179 129.583 2.596 18466 3672 1 5 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.277 -0.068 18466 3673 1 5 . 1 1 133 133 LEU C C 632 175.569 175.569 176.164 -0.595 18466 3674 1 5 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.481 0.734 18466 3675 1 5 . 1 1 133 133 LEU CB C 632 41.473 41.473 40.923 0.550 18466 3676 1 5 . 1 1 133 133 LEU H H 632 10.917 10.917 8.372 2.545 18466 3677 1 5 . 1 1 134 134 GLN N N 633 115.538 115.538 124.236 -8.698 18466 3678 1 5 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.751 0.030 18466 3679 1 5 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.903 -0.511 18466 3680 1 5 . 1 1 134 134 GLN H H 633 7.765 7.765 8.345 -0.580 18466 3681 1 6 . 1 1 3 3 MET C C 502 175.880 175.880 175.418 0.462 18466 3682 1 6 . 1 1 3 3 MET CA C 502 55.950 55.950 56.157 -0.207 18466 3683 1 6 . 1 1 3 3 MET CB C 502 34.203 34.203 34.902 -0.699 18466 3684 1 6 . 1 1 4 4 GLY N N 503 111.090 111.090 109.712 1.378 18466 3685 1 6 . 1 1 4 4 GLY C C 503 174.009 174.009 174.345 -0.336 18466 3686 1 6 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.068 0.409 18466 3687 1 6 . 1 1 4 4 GLY H H 503 8.375 8.375 8.361 0.014 18466 3688 1 6 . 1 1 5 5 THR N N 504 111.543 111.543 117.932 -6.389 18466 3689 1 6 . 1 1 5 5 THR HA H 504 4.437 4.437 4.336 0.101 18466 3690 1 6 . 1 1 5 5 THR C C 504 176.361 176.361 176.438 -0.077 18466 3691 1 6 . 1 1 5 5 THR CA C 504 61.972 61.972 61.410 0.562 18466 3692 1 6 . 1 1 5 5 THR CB C 504 73.041 73.041 70.108 2.933 18466 3693 1 6 . 1 1 5 5 THR H H 504 9.227 9.227 8.426 0.801 18466 3694 1 6 . 1 1 6 6 VAL N N 505 118.236 118.236 115.917 2.319 18466 3695 1 6 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.657 -0.404 18466 3696 1 6 . 1 1 6 6 VAL C C 505 177.287 177.287 177.809 -0.522 18466 3697 1 6 . 1 1 6 6 VAL CA C 505 67.124 67.124 65.832 1.292 18466 3698 1 6 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.240 0.257 18466 3699 1 6 . 1 1 6 6 VAL H H 505 9.896 9.896 8.860 1.036 18466 3700 1 6 . 1 1 7 7 MET N N 506 114.146 114.146 118.777 -4.631 18466 3701 1 6 . 1 1 7 7 MET HA H 506 4.358 4.358 4.115 0.243 18466 3702 1 6 . 1 1 7 7 MET C C 506 178.126 178.126 178.254 -0.128 18466 3703 1 6 . 1 1 7 7 MET CA C 506 56.050 56.050 57.476 -1.426 18466 3704 1 6 . 1 1 7 7 MET CB C 506 30.608 30.608 31.011 -0.403 18466 3705 1 6 . 1 1 7 7 MET H H 506 6.970 6.970 8.149 -1.179 18466 3706 1 6 . 1 1 8 8 ASP N N 507 120.413 120.413 120.175 0.238 18466 3707 1 6 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.389 -0.136 18466 3708 1 6 . 1 1 8 8 ASP C C 507 179.824 179.824 178.633 1.191 18466 3709 1 6 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.600 0.547 18466 3710 1 6 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.796 -0.318 18466 3711 1 6 . 1 1 8 8 ASP H H 507 7.433 7.433 7.552 -0.119 18466 3712 1 6 . 1 1 9 9 VAL N N 508 121.366 121.366 120.092 1.274 18466 3713 1 6 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.709 -0.144 18466 3714 1 6 . 1 1 9 9 VAL C C 508 179.112 179.112 178.200 0.912 18466 3715 1 6 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.564 -0.415 18466 3716 1 6 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.802 -0.232 18466 3717 1 6 . 1 1 9 9 VAL H H 508 8.157 8.157 7.724 0.433 18466 3718 1 6 . 1 1 10 10 LEU N N 509 117.252 117.252 118.543 -1.291 18466 3719 1 6 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.324 -0.302 18466 3720 1 6 . 1 1 10 10 LEU C C 509 179.092 179.092 179.813 -0.721 18466 3721 1 6 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.807 -0.463 18466 3722 1 6 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.386 0.536 18466 3723 1 6 . 1 1 10 10 LEU H H 509 7.859 7.859 8.028 -0.169 18466 3724 1 6 . 1 1 11 11 LYS N N 510 114.815 114.815 118.218 -3.403 18466 3725 1 6 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.208 -0.254 18466 3726 1 6 . 1 1 11 11 LYS C C 510 178.026 178.026 178.400 -0.374 18466 3727 1 6 . 1 1 11 11 LYS CA C 510 59.144 59.144 58.668 0.476 18466 3728 1 6 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.548 0.148 18466 3729 1 6 . 1 1 11 11 LYS H H 510 8.376 8.376 8.096 0.280 18466 3730 1 6 . 1 1 12 12 GLY N N 511 104.635 104.635 105.965 -1.330 18466 3731 1 6 . 1 1 12 12 GLY C C 511 172.558 172.558 173.919 -1.361 18466 3732 1 6 . 1 1 12 12 GLY CA C 511 45.505 45.505 45.066 0.439 18466 3733 1 6 . 1 1 12 12 GLY H H 511 7.593 7.593 7.817 -0.224 18466 3734 1 6 . 1 1 13 13 ASP N N 512 120.111 120.111 119.356 0.755 18466 3735 1 6 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.683 0.312 18466 3736 1 6 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.371 0.212 18466 3737 1 6 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.187 0.770 18466 3738 1 6 . 1 1 13 13 ASP H H 512 7.065 7.065 7.368 -0.303 18466 3739 1 6 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.504 -0.056 18466 3740 1 6 . 1 1 14 14 ASN C C 513 176.736 176.736 176.531 0.205 18466 3741 1 6 . 1 1 14 14 ASN CA C 513 55.892 55.892 54.953 0.939 18466 3742 1 6 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.699 -0.614 18466 3743 1 6 . 1 1 15 15 ARG N N 514 118.917 118.917 119.133 -0.216 18466 3744 1 6 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.197 -0.028 18466 3745 1 6 . 1 1 15 15 ARG C C 514 176.145 176.145 178.493 -2.348 18466 3746 1 6 . 1 1 15 15 ARG CA C 514 58.062 58.062 58.386 -0.324 18466 3747 1 6 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.088 0.578 18466 3748 1 6 . 1 1 15 15 ARG H H 514 8.581 8.581 8.157 0.424 18466 3749 1 6 . 1 1 16 16 PHE N N 515 113.226 113.226 119.029 -5.803 18466 3750 1 6 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.675 1.104 18466 3751 1 6 . 1 1 16 16 PHE C C 515 176.587 176.587 177.985 -1.398 18466 3752 1 6 . 1 1 16 16 PHE CA C 515 56.064 56.064 57.576 -1.512 18466 3753 1 6 . 1 1 16 16 PHE CB C 515 38.571 38.571 38.003 0.568 18466 3754 1 6 . 1 1 16 16 PHE H H 515 7.600 7.600 8.873 -1.273 18466 3755 1 6 . 1 1 17 17 SER N N 516 116.620 116.620 115.786 0.834 18466 3756 1 6 . 1 1 17 17 SER HA H 516 4.049 4.049 4.150 -0.101 18466 3757 1 6 . 1 1 17 17 SER C C 516 178.564 178.564 176.190 2.374 18466 3758 1 6 . 1 1 17 17 SER CA C 516 62.683 62.683 61.917 0.766 18466 3759 1 6 . 1 1 17 17 SER CB C 516 62.150 62.150 62.787 -0.637 18466 3760 1 6 . 1 1 17 17 SER H H 516 7.532 7.532 7.986 -0.454 18466 3761 1 6 . 1 1 18 18 MET N N 517 124.356 124.356 120.933 3.423 18466 3762 1 6 . 1 1 18 18 MET HA H 517 3.991 3.991 4.118 -0.127 18466 3763 1 6 . 1 1 18 18 MET C C 517 178.066 178.066 178.107 -0.041 18466 3764 1 6 . 1 1 18 18 MET CA C 517 59.462 59.462 58.187 1.275 18466 3765 1 6 . 1 1 18 18 MET CB C 517 31.596 31.596 32.185 -0.589 18466 3766 1 6 . 1 1 18 18 MET H H 517 9.291 9.291 7.485 1.806 18466 3767 1 6 . 1 1 19 19 LEU N N 518 123.835 123.835 121.216 2.619 18466 3768 1 6 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.143 -0.222 18466 3769 1 6 . 1 1 19 19 LEU C C 518 178.217 178.217 178.187 0.030 18466 3770 1 6 . 1 1 19 19 LEU CA C 518 58.140 58.140 58.042 0.098 18466 3771 1 6 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.670 -0.339 18466 3772 1 6 . 1 1 19 19 LEU H H 518 8.615 8.615 7.460 1.155 18466 3773 1 6 . 1 1 20 20 VAL N N 519 118.876 118.876 119.533 -0.657 18466 3774 1 6 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.515 -0.210 18466 3775 1 6 . 1 1 20 20 VAL C C 519 178.174 178.174 177.890 0.284 18466 3776 1 6 . 1 1 20 20 VAL CA C 519 67.850 67.850 66.925 0.925 18466 3777 1 6 . 1 1 20 20 VAL CB C 519 31.701 31.701 31.257 0.444 18466 3778 1 6 . 1 1 20 20 VAL H H 519 9.059 9.059 8.446 0.613 18466 3779 1 6 . 1 1 21 21 ALA N N 520 122.184 122.184 121.969 0.215 18466 3780 1 6 . 1 1 21 21 ALA HA H 520 4.156 4.156 3.927 0.229 18466 3781 1 6 . 1 1 21 21 ALA C C 520 180.310 180.310 178.807 1.503 18466 3782 1 6 . 1 1 21 21 ALA CA C 520 55.066 55.066 55.194 -0.128 18466 3783 1 6 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.898 -0.093 18466 3784 1 6 . 1 1 21 21 ALA H H 520 7.482 7.482 7.735 -0.253 18466 3785 1 6 . 1 1 22 22 ALA N N 521 123.379 123.379 122.060 1.319 18466 3786 1 6 . 1 1 22 22 ALA HA H 521 4.102 4.102 4.028 0.074 18466 3787 1 6 . 1 1 22 22 ALA C C 521 178.705 178.705 179.671 -0.966 18466 3788 1 6 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.976 -0.068 18466 3789 1 6 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.294 -0.423 18466 3790 1 6 . 1 1 22 22 ALA H H 521 8.286 8.286 7.404 0.882 18466 3791 1 6 . 1 1 23 23 ILE N N 522 120.263 120.263 119.228 1.035 18466 3792 1 6 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.534 -0.230 18466 3793 1 6 . 1 1 23 23 ILE C C 522 178.025 178.025 177.913 0.112 18466 3794 1 6 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.665 0.314 18466 3795 1 6 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.608 0.759 18466 3796 1 6 . 1 1 23 23 ILE H H 522 8.900 8.900 8.347 0.553 18466 3797 1 6 . 1 1 24 24 GLN N N 523 118.959 118.959 119.969 -1.010 18466 3798 1 6 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.176 0.012 18466 3799 1 6 . 1 1 24 24 GLN C C 523 180.253 180.253 178.758 1.495 18466 3800 1 6 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.662 -0.069 18466 3801 1 6 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.886 -1.254 18466 3802 1 6 . 1 1 24 24 GLN H H 523 7.898 7.898 8.632 -0.734 18466 3803 1 6 . 1 1 25 25 SER N N 524 118.150 118.150 115.234 2.916 18466 3804 1 6 . 1 1 25 25 SER HA H 524 4.188 4.188 4.264 -0.076 18466 3805 1 6 . 1 1 25 25 SER C C 524 175.635 175.635 175.712 -0.077 18466 3806 1 6 . 1 1 25 25 SER CA C 524 61.732 61.732 60.602 1.130 18466 3807 1 6 . 1 1 25 25 SER CB C 524 63.140 63.140 63.220 -0.080 18466 3808 1 6 . 1 1 25 25 SER H H 524 8.405 8.405 8.029 0.376 18466 3809 1 6 . 1 1 26 26 ALA N N 525 119.360 119.360 121.524 -2.164 18466 3810 1 6 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.303 0.065 18466 3811 1 6 . 1 1 26 26 ALA C C 525 176.960 176.960 177.968 -1.008 18466 3812 1 6 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.584 -0.428 18466 3813 1 6 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.470 0.477 18466 3814 1 6 . 1 1 26 26 ALA H H 525 8.277 8.277 7.759 0.518 18466 3815 1 6 . 1 1 27 27 GLY N N 526 105.968 105.968 106.115 -0.147 18466 3816 1 6 . 1 1 27 27 GLY C C 526 176.602 176.602 175.107 1.495 18466 3817 1 6 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.191 1.284 18466 3818 1 6 . 1 1 27 27 GLY H H 526 7.789 7.789 7.556 0.233 18466 3819 1 6 . 1 1 28 28 LEU N N 527 118.466 118.466 118.546 -0.080 18466 3820 1 6 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.699 -0.246 18466 3821 1 6 . 1 1 28 28 LEU C C 527 175.805 175.805 177.282 -1.477 18466 3822 1 6 . 1 1 28 28 LEU CA C 527 54.816 54.816 53.804 1.012 18466 3823 1 6 . 1 1 28 28 LEU CB C 527 45.181 45.181 41.937 3.244 18466 3824 1 6 . 1 1 28 28 LEU H H 527 8.088 8.088 8.157 -0.069 18466 3825 1 6 . 1 1 29 29 THR N N 528 118.037 118.037 114.371 3.666 18466 3826 1 6 . 1 1 29 29 THR HA H 528 3.539 3.539 3.951 -0.412 18466 3827 1 6 . 1 1 29 29 THR C C 528 175.526 175.526 175.023 0.503 18466 3828 1 6 . 1 1 29 29 THR CA C 528 66.828 66.828 66.142 0.686 18466 3829 1 6 . 1 1 29 29 THR CB C 528 68.754 68.754 68.804 -0.050 18466 3830 1 6 . 1 1 29 29 THR H H 528 7.593 7.593 8.194 -0.601 18466 3831 1 6 . 1 1 30 30 GLU N N 529 117.711 117.711 118.589 -0.878 18466 3832 1 6 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.121 -0.149 18466 3833 1 6 . 1 1 30 30 GLU C C 529 179.395 179.395 178.025 1.370 18466 3834 1 6 . 1 1 30 30 GLU CA C 529 59.788 59.788 58.439 1.349 18466 3835 1 6 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.998 -0.540 18466 3836 1 6 . 1 1 30 30 GLU H H 529 8.304 8.304 8.573 -0.269 18466 3837 1 6 . 1 1 31 31 THR N N 530 116.155 116.155 116.922 -0.767 18466 3838 1 6 . 1 1 31 31 THR HA H 530 3.756 3.756 4.089 -0.333 18466 3839 1 6 . 1 1 31 31 THR C C 530 175.838 175.838 175.947 -0.109 18466 3840 1 6 . 1 1 31 31 THR CA C 530 67.156 67.156 65.707 1.449 18466 3841 1 6 . 1 1 31 31 THR CB C 530 69.159 69.159 68.960 0.199 18466 3842 1 6 . 1 1 31 31 THR H H 530 7.692 7.692 7.444 0.248 18466 3843 1 6 . 1 1 32 32 LEU N N 531 116.655 116.655 117.029 -0.374 18466 3844 1 6 . 1 1 32 32 LEU HA H 531 3.921 3.921 3.955 -0.034 18466 3845 1 6 . 1 1 32 32 LEU C C 531 176.177 176.177 176.734 -0.557 18466 3846 1 6 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.386 1.167 18466 3847 1 6 . 1 1 32 32 LEU CB C 531 41.533 41.533 39.214 2.320 18466 3848 1 6 . 1 1 32 32 LEU H H 531 7.103 7.103 7.565 -0.462 18466 3849 1 6 . 1 1 33 33 ASN N N 532 118.711 118.711 117.332 1.379 18466 3850 1 6 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.610 0.366 18466 3851 1 6 . 1 1 33 33 ASN C C 532 174.819 174.819 175.166 -0.347 18466 3852 1 6 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.644 -1.523 18466 3853 1 6 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.803 1.186 18466 3854 1 6 . 1 1 33 33 ASN H H 532 7.735 7.735 7.348 0.387 18466 3855 1 6 . 1 1 34 34 ARG N N 533 119.777 119.777 121.994 -2.217 18466 3856 1 6 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.361 0.168 18466 3857 1 6 . 1 1 34 34 ARG C C 533 175.340 175.340 175.468 -0.128 18466 3858 1 6 . 1 1 34 34 ARG CA C 533 55.624 55.624 55.948 -0.324 18466 3859 1 6 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.008 1.797 18466 3860 1 6 . 1 1 34 34 ARG H H 533 7.287 7.287 7.392 -0.105 18466 3861 1 6 . 1 1 35 35 GLU N N 534 120.198 120.198 122.869 -2.671 18466 3862 1 6 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.336 -0.101 18466 3863 1 6 . 1 1 35 35 GLU C C 534 176.305 176.305 176.044 0.261 18466 3864 1 6 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.875 0.863 18466 3865 1 6 . 1 1 35 35 GLU CB C 534 29.694 29.694 30.232 -0.538 18466 3866 1 6 . 1 1 35 35 GLU H H 534 8.517 8.517 8.509 0.008 18466 3867 1 6 . 1 1 36 36 GLY N N 535 111.018 111.018 109.959 1.059 18466 3868 1 6 . 1 1 36 36 GLY C C 535 170.570 170.570 172.197 -1.627 18466 3869 1 6 . 1 1 36 36 GLY CA C 535 44.825 44.825 45.127 -0.302 18466 3870 1 6 . 1 1 36 36 GLY H H 535 7.955 7.955 8.581 -0.626 18466 3871 1 6 . 1 1 37 37 VAL N N 536 114.867 114.867 118.909 -4.042 18466 3872 1 6 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.471 -0.343 18466 3873 1 6 . 1 1 37 37 VAL C C 536 173.020 173.020 173.641 -0.621 18466 3874 1 6 . 1 1 37 37 VAL CA C 536 59.407 59.407 59.801 -0.394 18466 3875 1 6 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.164 0.517 18466 3876 1 6 . 1 1 37 37 VAL H H 536 7.198 7.198 7.855 -0.657 18466 3877 1 6 . 1 1 38 38 TYR N N 537 117.363 117.363 121.219 -3.856 18466 3878 1 6 . 1 1 38 38 TYR HA H 537 5.199 5.199 4.875 0.324 18466 3879 1 6 . 1 1 38 38 TYR C C 537 176.278 176.278 175.026 1.252 18466 3880 1 6 . 1 1 38 38 TYR CA C 537 56.770 56.770 56.789 -0.019 18466 3881 1 6 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.306 0.237 18466 3882 1 6 . 1 1 38 38 TYR H H 537 7.507 7.507 8.200 -0.693 18466 3883 1 6 . 1 1 39 39 THR N N 538 117.120 117.120 120.071 -2.951 18466 3884 1 6 . 1 1 39 39 THR HA H 538 4.781 4.781 4.371 0.410 18466 3885 1 6 . 1 1 39 39 THR C C 538 173.406 173.406 172.940 0.466 18466 3886 1 6 . 1 1 39 39 THR CA C 538 62.197 62.197 61.926 0.271 18466 3887 1 6 . 1 1 39 39 THR CB C 538 70.922 70.922 69.381 1.541 18466 3888 1 6 . 1 1 39 39 THR H H 538 7.906 7.906 8.518 -0.612 18466 3889 1 6 . 1 1 40 40 VAL N N 539 126.768 126.768 127.012 -0.244 18466 3890 1 6 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.645 -0.042 18466 3891 1 6 . 1 1 40 40 VAL C C 539 174.038 174.038 174.372 -0.334 18466 3892 1 6 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.762 0.406 18466 3893 1 6 . 1 1 40 40 VAL CB C 539 33.995 33.995 32.728 1.267 18466 3894 1 6 . 1 1 40 40 VAL H H 539 9.154 9.154 8.650 0.504 18466 3895 1 6 . 1 1 41 41 PHE N N 540 128.517 128.517 126.971 1.546 18466 3896 1 6 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.102 0.229 18466 3897 1 6 . 1 1 41 41 PHE C C 540 173.429 173.429 175.059 -1.630 18466 3898 1 6 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.439 1.243 18466 3899 1 6 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.791 -1.342 18466 3900 1 6 . 1 1 41 41 PHE H H 540 9.087 9.087 8.827 0.260 18466 3901 1 6 . 1 1 42 42 ALA N N 541 125.981 125.981 129.323 -3.342 18466 3902 1 6 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.784 -0.201 18466 3903 1 6 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.035 -0.039 18466 3904 1 6 . 1 1 42 42 ALA CB C 541 23.007 23.007 19.120 3.887 18466 3905 1 6 . 1 1 42 42 ALA H H 541 8.666 8.666 8.274 0.392 18466 3906 1 6 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.580 -0.563 18466 3907 1 6 . 1 1 43 43 PRO C C 542 177.809 177.809 177.452 0.357 18466 3908 1 6 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.201 -1.122 18466 3909 1 6 . 1 1 43 43 PRO CB C 542 31.835 31.835 32.167 -0.332 18466 3910 1 6 . 1 1 44 44 THR N N 543 112.053 112.053 115.100 -3.047 18466 3911 1 6 . 1 1 44 44 THR HA H 543 4.464 4.464 4.530 -0.066 18466 3912 1 6 . 1 1 44 44 THR C C 543 176.413 176.413 176.337 0.076 18466 3913 1 6 . 1 1 44 44 THR CA C 543 60.762 60.762 60.340 0.422 18466 3914 1 6 . 1 1 44 44 THR CB C 543 71.542 71.542 70.081 1.461 18466 3915 1 6 . 1 1 44 44 THR H H 543 7.731 7.731 8.337 -0.606 18466 3916 1 6 . 1 1 45 45 ASN N N 544 119.183 119.183 119.215 -0.032 18466 3917 1 6 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.600 0.100 18466 3918 1 6 . 1 1 45 45 ASN C C 544 178.324 178.324 177.678 0.646 18466 3919 1 6 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.737 -0.431 18466 3920 1 6 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.555 -1.349 18466 3921 1 6 . 1 1 45 45 ASN H H 544 8.883 8.883 8.793 0.090 18466 3922 1 6 . 1 1 46 46 GLU N N 545 118.549 118.549 118.681 -0.132 18466 3923 1 6 . 1 1 46 46 GLU C C 545 178.200 178.200 177.951 0.249 18466 3924 1 6 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.123 0.813 18466 3925 1 6 . 1 1 46 46 GLU CB C 545 29.347 29.347 29.051 0.296 18466 3926 1 6 . 1 1 46 46 GLU H H 545 8.283 8.283 8.871 -0.588 18466 3927 1 6 . 1 1 47 47 ALA N N 546 122.120 122.120 122.397 -0.277 18466 3928 1 6 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.061 -0.017 18466 3929 1 6 . 1 1 47 47 ALA C C 546 180.432 180.432 179.490 0.942 18466 3930 1 6 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.834 0.235 18466 3931 1 6 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.184 1.409 18466 3932 1 6 . 1 1 47 47 ALA H H 546 7.485 7.485 7.418 0.067 18466 3933 1 6 . 1 1 48 48 PHE N N 547 115.213 115.213 116.461 -1.248 18466 3934 1 6 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.348 -0.302 18466 3935 1 6 . 1 1 48 48 PHE C C 547 179.098 179.098 177.049 2.049 18466 3936 1 6 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.468 0.637 18466 3937 1 6 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.736 1.023 18466 3938 1 6 . 1 1 48 48 PHE H H 547 7.363 7.363 7.402 -0.039 18466 3939 1 6 . 1 1 49 49 ARG N N 548 118.451 118.451 119.366 -0.915 18466 3940 1 6 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.190 -0.201 18466 3941 1 6 . 1 1 49 49 ARG C C 548 176.382 176.382 177.301 -0.919 18466 3942 1 6 . 1 1 49 49 ARG CA C 548 58.915 58.915 57.307 1.608 18466 3943 1 6 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.431 -0.281 18466 3944 1 6 . 1 1 49 49 ARG H H 548 8.266 8.266 7.800 0.466 18466 3945 1 6 . 1 1 50 50 ALA N N 549 118.978 118.978 121.850 -2.872 18466 3946 1 6 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.221 0.058 18466 3947 1 6 . 1 1 50 50 ALA C C 549 178.745 178.745 178.295 0.450 18466 3948 1 6 . 1 1 50 50 ALA CA C 549 52.652 52.652 53.183 -0.531 18466 3949 1 6 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.186 -0.239 18466 3950 1 6 . 1 1 50 50 ALA H H 549 7.416 7.416 7.807 -0.391 18466 3951 1 6 . 1 1 51 51 LEU N N 550 119.842 119.842 121.618 -1.776 18466 3952 1 6 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.362 0.169 18466 3953 1 6 . 1 1 51 51 LEU CA C 550 53.313 53.313 53.242 0.071 18466 3954 1 6 . 1 1 51 51 LEU CB C 550 42.418 42.418 42.001 0.417 18466 3955 1 6 . 1 1 51 51 LEU H H 550 7.138 7.138 7.579 -0.441 18466 3956 1 6 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.780 0.009 18466 3957 1 6 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.264 0.520 18466 3958 1 6 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.568 -0.226 18466 3959 1 6 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.167 -0.052 18466 3960 1 6 . 1 1 53 53 PRO CA C 552 66.346 66.346 65.833 0.513 18466 3961 1 6 . 1 1 53 53 PRO CB C 552 33.383 33.383 32.060 1.323 18466 3962 1 6 . 1 1 54 54 ARG C C 553 179.024 179.024 178.330 0.694 18466 3963 1 6 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.950 -0.496 18466 3964 1 6 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.927 -0.233 18466 3965 1 6 . 1 1 55 55 GLU N N 554 119.712 119.712 117.982 1.730 18466 3966 1 6 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.091 0.275 18466 3967 1 6 . 1 1 55 55 GLU C C 554 178.437 178.437 179.086 -0.649 18466 3968 1 6 . 1 1 55 55 GLU CA C 554 58.362 58.362 59.572 -1.210 18466 3969 1 6 . 1 1 55 55 GLU CB C 554 29.727 29.727 28.950 0.777 18466 3970 1 6 . 1 1 55 55 GLU H H 554 7.526 7.526 7.950 -0.424 18466 3971 1 6 . 1 1 56 56 ARG N N 555 120.112 120.112 119.235 0.877 18466 3972 1 6 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.047 -0.202 18466 3973 1 6 . 1 1 56 56 ARG C C 555 177.902 177.902 178.713 -0.811 18466 3974 1 6 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.509 0.853 18466 3975 1 6 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.790 0.505 18466 3976 1 6 . 1 1 56 56 ARG H H 555 8.452 8.452 8.457 -0.005 18466 3977 1 6 . 1 1 57 57 SER N N 556 111.829 111.829 115.426 -3.597 18466 3978 1 6 . 1 1 57 57 SER HA H 556 4.138 4.138 4.229 -0.091 18466 3979 1 6 . 1 1 57 57 SER C C 556 177.151 177.151 175.611 1.540 18466 3980 1 6 . 1 1 57 57 SER CA C 556 61.661 61.661 61.811 -0.150 18466 3981 1 6 . 1 1 57 57 SER CB C 556 62.874 62.874 62.872 0.002 18466 3982 1 6 . 1 1 57 57 SER H H 556 8.200 8.200 7.931 0.269 18466 3983 1 6 . 1 1 58 58 ARG N N 557 122.459 122.459 121.574 0.885 18466 3984 1 6 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.189 -0.121 18466 3985 1 6 . 1 1 58 58 ARG C C 557 178.190 178.190 178.969 -0.779 18466 3986 1 6 . 1 1 58 58 ARG CA C 557 59.121 59.121 58.868 0.253 18466 3987 1 6 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.226 0.282 18466 3988 1 6 . 1 1 58 58 ARG H H 557 7.589 7.589 7.290 0.299 18466 3989 1 6 . 1 1 59 59 LEU N N 558 117.826 117.826 121.831 -4.005 18466 3990 1 6 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.171 -0.062 18466 3991 1 6 . 1 1 59 59 LEU C C 558 177.217 177.217 178.723 -1.506 18466 3992 1 6 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.779 -0.001 18466 3993 1 6 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.009 0.419 18466 3994 1 6 . 1 1 59 59 LEU H H 558 8.034 8.034 8.056 -0.022 18466 3995 1 6 . 1 1 60 60 LEU N N 559 112.187 112.187 116.828 -4.641 18466 3996 1 6 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.391 -0.180 18466 3997 1 6 . 1 1 60 60 LEU C C 559 179.037 179.037 178.175 0.862 18466 3998 1 6 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.578 0.672 18466 3999 1 6 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.451 -0.265 18466 4000 1 6 . 1 1 60 60 LEU H H 559 7.844 7.844 8.474 -0.630 18466 4001 1 6 . 1 1 61 61 GLY N N 560 104.550 104.550 106.463 -1.913 18466 4002 1 6 . 1 1 61 61 GLY C C 560 173.292 173.292 173.750 -0.458 18466 4003 1 6 . 1 1 61 61 GLY CA C 560 45.525 45.525 44.781 0.744 18466 4004 1 6 . 1 1 61 61 GLY H H 560 7.565 7.565 7.501 0.064 18466 4005 1 6 . 1 1 62 62 ASP N N 561 120.720 120.720 120.558 0.162 18466 4006 1 6 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.823 0.073 18466 4007 1 6 . 1 1 62 62 ASP C C 561 174.791 174.791 175.570 -0.779 18466 4008 1 6 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.300 -0.743 18466 4009 1 6 . 1 1 62 62 ASP CB C 561 42.146 42.146 43.200 -1.054 18466 4010 1 6 . 1 1 62 62 ASP H H 561 7.255 7.255 7.394 -0.139 18466 4011 1 6 . 1 1 63 63 ALA N N 562 126.814 126.814 128.126 -1.312 18466 4012 1 6 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.153 -0.112 18466 4013 1 6 . 1 1 63 63 ALA C C 562 180.100 180.100 179.053 1.047 18466 4014 1 6 . 1 1 63 63 ALA CA C 562 55.682 55.682 54.756 0.926 18466 4015 1 6 . 1 1 63 63 ALA CB C 562 18.903 18.903 19.146 -0.243 18466 4016 1 6 . 1 1 63 63 ALA H H 562 8.674 8.674 8.874 -0.200 18466 4017 1 6 . 1 1 64 64 LYS N N 563 118.169 118.169 118.671 -0.502 18466 4018 1 6 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.144 0.013 18466 4019 1 6 . 1 1 64 64 LYS C C 563 179.513 179.513 179.059 0.454 18466 4020 1 6 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.079 0.325 18466 4021 1 6 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.058 -0.092 18466 4022 1 6 . 1 1 64 64 LYS H H 563 8.143 8.143 8.520 -0.377 18466 4023 1 6 . 1 1 65 65 GLU N N 564 121.540 121.540 120.447 1.093 18466 4024 1 6 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.064 0.201 18466 4025 1 6 . 1 1 65 65 GLU C C 564 179.400 179.400 178.940 0.460 18466 4026 1 6 . 1 1 65 65 GLU CA C 564 58.381 58.381 59.081 -0.700 18466 4027 1 6 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.369 -0.107 18466 4028 1 6 . 1 1 65 65 GLU H H 564 7.812 7.812 8.713 -0.901 18466 4029 1 6 . 1 1 66 66 LEU N N 565 120.816 120.816 120.254 0.562 18466 4030 1 6 . 1 1 66 66 LEU HA H 565 4.114 4.114 4.000 0.114 18466 4031 1 6 . 1 1 66 66 LEU C C 565 178.632 178.632 178.839 -0.207 18466 4032 1 6 . 1 1 66 66 LEU CA C 565 58.006 58.006 57.926 0.080 18466 4033 1 6 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.488 -0.087 18466 4034 1 6 . 1 1 66 66 LEU H H 565 8.757 8.757 7.834 0.923 18466 4035 1 6 . 1 1 67 67 ALA N N 566 118.909 118.909 119.350 -0.441 18466 4036 1 6 . 1 1 67 67 ALA HA H 566 3.916 3.916 4.019 -0.103 18466 4037 1 6 . 1 1 67 67 ALA C C 566 178.874 178.874 179.123 -0.249 18466 4038 1 6 . 1 1 67 67 ALA CA C 566 55.967 55.967 54.845 1.122 18466 4039 1 6 . 1 1 67 67 ALA CB C 566 18.119 18.119 18.352 -0.234 18466 4040 1 6 . 1 1 67 67 ALA H H 566 8.058 8.058 8.262 -0.204 18466 4041 1 6 . 1 1 68 68 ASN N N 567 115.314 115.314 115.664 -0.350 18466 4042 1 6 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.708 -0.266 18466 4043 1 6 . 1 1 68 68 ASN C C 567 176.598 176.598 176.897 -0.299 18466 4044 1 6 . 1 1 68 68 ASN CA C 567 57.146 57.146 55.453 1.693 18466 4045 1 6 . 1 1 68 68 ASN CB C 567 39.032 39.032 39.300 -0.268 18466 4046 1 6 . 1 1 68 68 ASN H H 567 7.478 7.478 7.567 -0.089 18466 4047 1 6 . 1 1 69 69 ILE N N 568 117.111 117.111 119.641 -2.530 18466 4048 1 6 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.941 0.055 18466 4049 1 6 . 1 1 69 69 ILE C C 568 179.707 179.707 178.049 1.658 18466 4050 1 6 . 1 1 69 69 ILE CA C 568 63.604 63.604 63.795 -0.191 18466 4051 1 6 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.820 -0.392 18466 4052 1 6 . 1 1 69 69 ILE H H 568 8.027 8.027 8.162 -0.135 18466 4053 1 6 . 1 1 70 70 LEU N N 569 121.388 121.388 119.262 2.126 18466 4054 1 6 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.220 -0.120 18466 4055 1 6 . 1 1 70 70 LEU C C 569 179.729 179.729 178.875 0.854 18466 4056 1 6 . 1 1 70 70 LEU CA C 569 58.592 58.592 56.684 1.908 18466 4057 1 6 . 1 1 70 70 LEU CB C 569 41.914 41.914 40.436 1.478 18466 4058 1 6 . 1 1 70 70 LEU H H 569 8.985 8.985 8.275 0.710 18466 4059 1 6 . 1 1 71 71 LYS N N 570 116.226 116.226 117.891 -1.665 18466 4060 1 6 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.118 -0.180 18466 4061 1 6 . 1 1 71 71 LYS C C 570 177.620 177.620 178.124 -0.504 18466 4062 1 6 . 1 1 71 71 LYS CA C 570 60.800 60.800 58.720 2.080 18466 4063 1 6 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.514 -0.073 18466 4064 1 6 . 1 1 71 71 LYS H H 570 8.525 8.525 7.778 0.747 18466 4065 1 6 . 1 1 72 72 TYR N N 571 120.076 120.076 117.962 2.114 18466 4066 1 6 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.498 0.126 18466 4067 1 6 . 1 1 72 72 TYR C C 571 171.915 171.915 176.557 -4.642 18466 4068 1 6 . 1 1 72 72 TYR CA C 571 58.886 58.886 59.175 -0.289 18466 4069 1 6 . 1 1 72 72 TYR CB C 571 38.763 38.763 39.019 -0.256 18466 4070 1 6 . 1 1 72 72 TYR H H 571 7.624 7.624 8.054 -0.430 18466 4071 1 6 . 1 1 73 73 HIS N N 572 108.895 108.895 116.982 -8.087 18466 4072 1 6 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.541 -0.350 18466 4073 1 6 . 1 1 73 73 HIS C C 572 173.852 173.852 173.866 -0.014 18466 4074 1 6 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.526 0.344 18466 4075 1 6 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.252 -2.094 18466 4076 1 6 . 1 1 73 73 HIS H H 572 7.532 7.532 7.654 -0.122 18466 4077 1 6 . 1 1 74 74 ILE N N 573 117.580 117.580 118.672 -1.092 18466 4078 1 6 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.954 0.255 18466 4079 1 6 . 1 1 74 74 ILE C C 573 175.691 175.691 174.992 0.699 18466 4080 1 6 . 1 1 74 74 ILE CA C 573 59.627 59.627 59.818 -0.191 18466 4081 1 6 . 1 1 74 74 ILE CB C 573 40.690 40.690 40.995 -0.305 18466 4082 1 6 . 1 1 74 74 ILE H H 573 7.310 7.310 7.309 0.001 18466 4083 1 6 . 1 1 75 75 GLY N N 574 111.704 111.704 112.491 -0.787 18466 4084 1 6 . 1 1 75 75 GLY C C 574 173.963 173.963 174.239 -0.276 18466 4085 1 6 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.910 0.025 18466 4086 1 6 . 1 1 75 75 GLY H H 574 10.187 10.187 9.065 1.122 18466 4087 1 6 . 1 1 76 76 ASP N N 575 120.565 120.565 121.214 -0.649 18466 4088 1 6 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.592 0.176 18466 4089 1 6 . 1 1 76 76 ASP C C 575 174.774 174.774 175.606 -0.832 18466 4090 1 6 . 1 1 76 76 ASP CA C 575 53.727 53.727 55.358 -1.631 18466 4091 1 6 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.705 -0.869 18466 4092 1 6 . 1 1 76 76 ASP H H 575 8.356 8.356 8.529 -0.173 18466 4093 1 6 . 1 1 77 77 GLU N N 576 114.303 114.303 114.445 -0.142 18466 4094 1 6 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.423 0.048 18466 4095 1 6 . 1 1 77 77 GLU C C 576 175.374 175.374 174.726 0.648 18466 4096 1 6 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.657 -0.170 18466 4097 1 6 . 1 1 77 77 GLU CB C 576 33.319 33.319 31.757 1.562 18466 4098 1 6 . 1 1 77 77 GLU H H 576 7.271 7.271 7.691 -0.420 18466 4099 1 6 . 1 1 78 78 ILE N N 577 120.967 120.967 121.609 -0.642 18466 4100 1 6 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.662 -1.085 18466 4101 1 6 . 1 1 78 78 ILE C C 577 174.824 174.824 175.684 -0.860 18466 4102 1 6 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.281 1.047 18466 4103 1 6 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.286 0.124 18466 4104 1 6 . 1 1 78 78 ILE H H 577 8.498 8.498 8.542 -0.044 18466 4105 1 6 . 1 1 79 79 LEU N N 578 132.772 132.772 131.873 0.899 18466 4106 1 6 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.808 -0.036 18466 4107 1 6 . 1 1 79 79 LEU C C 578 174.159 174.159 174.897 -0.738 18466 4108 1 6 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.584 0.313 18466 4109 1 6 . 1 1 79 79 LEU CB C 578 44.049 44.049 44.342 -0.293 18466 4110 1 6 . 1 1 79 79 LEU H H 578 7.992 7.992 8.424 -0.432 18466 4111 1 6 . 1 1 80 80 VAL N N 579 118.382 118.382 122.207 -3.825 18466 4112 1 6 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.842 -0.071 18466 4113 1 6 . 1 1 80 80 VAL C C 579 178.418 178.418 176.566 1.852 18466 4114 1 6 . 1 1 80 80 VAL CA C 579 59.503 59.503 60.141 -0.638 18466 4115 1 6 . 1 1 80 80 VAL CB C 579 33.434 33.434 33.676 -0.242 18466 4116 1 6 . 1 1 80 80 VAL H H 579 7.954 7.954 8.423 -0.469 18466 4117 1 6 . 1 1 81 81 SER N N 580 121.875 121.875 119.347 2.528 18466 4118 1 6 . 1 1 81 81 SER HA H 580 3.838 3.838 4.178 -0.340 18466 4119 1 6 . 1 1 81 81 SER C C 580 177.145 177.145 176.422 0.723 18466 4120 1 6 . 1 1 81 81 SER CA C 580 62.909 62.909 61.874 1.035 18466 4121 1 6 . 1 1 81 81 SER CB C 580 62.215 62.215 63.072 -0.857 18466 4122 1 6 . 1 1 81 81 SER H H 580 11.083 11.083 9.920 1.163 18466 4123 1 6 . 1 1 82 82 GLY N N 581 107.458 107.458 107.365 0.093 18466 4124 1 6 . 1 1 82 82 GLY C C 581 174.750 174.750 174.206 0.544 18466 4125 1 6 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.147 0.792 18466 4126 1 6 . 1 1 82 82 GLY H H 581 8.277 8.277 7.919 0.358 18466 4127 1 6 . 1 1 83 83 GLY N N 582 107.852 107.852 108.001 -0.149 18466 4128 1 6 . 1 1 83 83 GLY C C 582 174.378 174.378 174.234 0.144 18466 4129 1 6 . 1 1 83 83 GLY CA C 582 44.526 44.526 45.356 -0.830 18466 4130 1 6 . 1 1 83 83 GLY H H 582 8.246 8.246 7.633 0.613 18466 4131 1 6 . 1 1 84 84 ILE N N 583 120.968 120.968 121.078 -0.110 18466 4132 1 6 . 1 1 84 84 ILE HA H 583 3.817 3.817 4.075 -0.258 18466 4133 1 6 . 1 1 84 84 ILE C C 583 175.640 175.640 176.379 -0.739 18466 4134 1 6 . 1 1 84 84 ILE CA C 583 62.947 62.947 62.321 0.626 18466 4135 1 6 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.728 0.360 18466 4136 1 6 . 1 1 84 84 ILE H H 583 7.306 7.306 7.262 0.044 18466 4137 1 6 . 1 1 85 85 GLY N N 584 112.093 112.093 107.898 4.195 18466 4138 1 6 . 1 1 85 85 GLY C C 584 173.086 173.086 174.805 -1.719 18466 4139 1 6 . 1 1 85 85 GLY CA C 584 45.544 45.544 44.827 0.717 18466 4140 1 6 . 1 1 85 85 GLY H H 584 7.947 7.947 8.320 -0.373 18466 4141 1 6 . 1 1 86 86 ALA N N 585 125.044 125.044 122.869 2.175 18466 4142 1 6 . 1 1 86 86 ALA HA H 585 4.314 4.314 3.864 0.450 18466 4143 1 6 . 1 1 86 86 ALA C C 585 177.355 177.355 175.459 1.896 18466 4144 1 6 . 1 1 86 86 ALA CA C 585 54.149 54.149 53.749 0.400 18466 4145 1 6 . 1 1 86 86 ALA CB C 585 19.671 19.671 18.180 1.492 18466 4146 1 6 . 1 1 86 86 ALA H H 585 8.295 8.295 8.361 -0.066 18466 4147 1 6 . 1 1 87 87 LEU N N 586 118.525 118.525 118.792 -0.267 18466 4148 1 6 . 1 1 87 87 LEU HA H 586 4.713 4.713 4.782 -0.069 18466 4149 1 6 . 1 1 87 87 LEU C C 586 175.568 175.568 174.981 0.587 18466 4150 1 6 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.472 1.692 18466 4151 1 6 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.563 -1.869 18466 4152 1 6 . 1 1 87 87 LEU H H 586 7.804 7.804 7.954 -0.150 18466 4153 1 6 . 1 1 88 88 VAL N N 587 128.017 128.017 125.236 2.781 18466 4154 1 6 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.420 -0.117 18466 4155 1 6 . 1 1 88 88 VAL C C 587 174.137 174.137 174.544 -0.407 18466 4156 1 6 . 1 1 88 88 VAL CA C 587 61.394 61.394 60.914 0.480 18466 4157 1 6 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.948 -0.233 18466 4158 1 6 . 1 1 88 88 VAL H H 587 9.514 9.514 9.328 0.186 18466 4159 1 6 . 1 1 89 89 ARG N N 588 125.361 125.361 126.040 -0.679 18466 4160 1 6 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.648 0.616 18466 4161 1 6 . 1 1 89 89 ARG C C 588 174.993 174.993 175.571 -0.578 18466 4162 1 6 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.743 -0.976 18466 4163 1 6 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.172 -0.038 18466 4164 1 6 . 1 1 89 89 ARG H H 588 8.616 8.616 8.593 0.023 18466 4165 1 6 . 1 1 90 90 LEU N N 589 128.011 128.011 127.840 0.171 18466 4166 1 6 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.551 0.017 18466 4167 1 6 . 1 1 90 90 LEU C C 589 174.937 174.937 175.437 -0.500 18466 4168 1 6 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.144 0.025 18466 4169 1 6 . 1 1 90 90 LEU CB C 589 46.013 46.013 43.723 2.290 18466 4170 1 6 . 1 1 90 90 LEU H H 589 8.814 8.814 9.076 -0.262 18466 4171 1 6 . 1 1 91 91 LYS N N 590 129.467 129.467 127.711 1.756 18466 4172 1 6 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.625 -0.597 18466 4173 1 6 . 1 1 91 91 LYS C C 590 174.523 174.523 176.501 -1.978 18466 4174 1 6 . 1 1 91 91 LYS CA C 590 58.450 58.450 56.553 1.897 18466 4175 1 6 . 1 1 91 91 LYS CB C 590 32.398 32.398 32.574 -0.176 18466 4176 1 6 . 1 1 91 91 LYS H H 590 9.414 9.414 8.520 0.894 18466 4177 1 6 . 1 1 92 92 SER N N 591 121.877 121.877 117.973 3.904 18466 4178 1 6 . 1 1 92 92 SER HA H 591 5.622 5.622 4.988 0.634 18466 4179 1 6 . 1 1 92 92 SER C C 591 178.072 178.072 175.217 2.855 18466 4180 1 6 . 1 1 92 92 SER CA C 591 58.281 58.281 56.776 1.505 18466 4181 1 6 . 1 1 92 92 SER CB C 591 67.446 67.446 66.347 1.099 18466 4182 1 6 . 1 1 92 92 SER H H 591 7.965 7.965 8.852 -0.887 18466 4183 1 6 . 1 1 93 93 LEU N N 592 121.378 121.378 120.559 0.819 18466 4184 1 6 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.211 0.092 18466 4185 1 6 . 1 1 93 93 LEU C C 592 178.509 178.509 178.588 -0.079 18466 4186 1 6 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.577 -0.313 18466 4187 1 6 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.349 0.042 18466 4188 1 6 . 1 1 93 93 LEU H H 592 9.327 9.327 8.561 0.766 18466 4189 1 6 . 1 1 94 94 GLN N N 593 119.354 119.354 115.361 3.993 18466 4190 1 6 . 1 1 94 94 GLN C C 593 176.197 176.197 177.174 -0.977 18466 4191 1 6 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.117 -0.619 18466 4192 1 6 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.623 -2.344 18466 4193 1 6 . 1 1 94 94 GLN H H 593 7.526 7.526 7.688 -0.162 18466 4194 1 6 . 1 1 95 95 GLY N N 594 109.497 109.497 108.478 1.019 18466 4195 1 6 . 1 1 95 95 GLY C C 594 174.379 174.379 173.816 0.563 18466 4196 1 6 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.584 0.884 18466 4197 1 6 . 1 1 95 95 GLY H H 594 7.632 7.632 7.739 -0.107 18466 4198 1 6 . 1 1 96 96 ASP N N 595 121.403 121.403 121.582 -0.179 18466 4199 1 6 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.603 0.297 18466 4200 1 6 . 1 1 96 96 ASP C C 595 177.399 177.399 175.142 2.257 18466 4201 1 6 . 1 1 96 96 ASP CA C 595 54.569 54.569 53.975 0.594 18466 4202 1 6 . 1 1 96 96 ASP CB C 595 41.291 41.291 43.026 -1.735 18466 4203 1 6 . 1 1 96 96 ASP H H 595 8.835 8.835 8.068 0.767 18466 4204 1 6 . 1 1 97 97 LYS N N 596 119.362 119.362 120.844 -1.482 18466 4205 1 6 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.613 0.431 18466 4206 1 6 . 1 1 97 97 LYS C C 596 176.620 176.620 175.955 0.665 18466 4207 1 6 . 1 1 97 97 LYS CA C 596 56.128 56.128 55.255 0.873 18466 4208 1 6 . 1 1 97 97 LYS CB C 596 33.880 33.880 33.064 0.816 18466 4209 1 6 . 1 1 97 97 LYS H H 596 9.018 9.018 8.392 0.626 18466 4210 1 6 . 1 1 98 98 LEU N N 597 125.543 125.543 127.284 -1.741 18466 4211 1 6 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.328 0.026 18466 4212 1 6 . 1 1 98 98 LEU C C 597 176.218 176.218 176.757 -0.539 18466 4213 1 6 . 1 1 98 98 LEU CA C 597 53.937 53.937 54.423 -0.486 18466 4214 1 6 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.498 2.616 18466 4215 1 6 . 1 1 98 98 LEU H H 597 9.304 9.304 9.188 0.116 18466 4216 1 6 . 1 1 99 99 GLU N N 598 121.122 121.122 125.925 -4.803 18466 4217 1 6 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.301 0.337 18466 4218 1 6 . 1 1 99 99 GLU C C 598 175.099 175.099 175.482 -0.383 18466 4219 1 6 . 1 1 99 99 GLU CA C 598 55.729 55.729 56.215 -0.486 18466 4220 1 6 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.042 1.512 18466 4221 1 6 . 1 1 99 99 GLU H H 598 8.314 8.314 9.288 -0.974 18466 4222 1 6 . 1 1 100 100 VAL N N 599 130.705 130.705 127.634 3.071 18466 4223 1 6 . 1 1 100 100 VAL HA H 599 5.043 5.043 4.802 0.241 18466 4224 1 6 . 1 1 100 100 VAL C C 599 173.758 173.758 175.161 -1.403 18466 4225 1 6 . 1 1 100 100 VAL CA C 599 61.106 61.106 62.038 -0.932 18466 4226 1 6 . 1 1 100 100 VAL CB C 599 32.772 32.772 32.634 0.138 18466 4227 1 6 . 1 1 100 100 VAL H H 599 9.330 9.330 7.995 1.335 18466 4228 1 6 . 1 1 101 101 SER N N 600 119.932 119.932 122.373 -2.441 18466 4229 1 6 . 1 1 101 101 SER HA H 600 4.942 4.942 4.879 0.063 18466 4230 1 6 . 1 1 101 101 SER C C 600 171.934 171.934 172.075 -0.141 18466 4231 1 6 . 1 1 101 101 SER CA C 600 56.624 56.624 56.502 0.122 18466 4232 1 6 . 1 1 101 101 SER CB C 600 67.420 67.420 66.695 0.725 18466 4233 1 6 . 1 1 101 101 SER H H 600 9.016 9.016 9.043 -0.027 18466 4234 1 6 . 1 1 102 102 LEU N N 601 122.984 122.984 123.385 -0.401 18466 4235 1 6 . 1 1 102 102 LEU HA H 601 5.047 5.047 4.912 0.135 18466 4236 1 6 . 1 1 102 102 LEU C C 601 175.753 175.753 175.066 0.687 18466 4237 1 6 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.186 0.107 18466 4238 1 6 . 1 1 102 102 LEU CB C 601 45.099 45.099 44.329 0.770 18466 4239 1 6 . 1 1 102 102 LEU H H 601 7.919 7.919 8.842 -0.923 18466 4240 1 6 . 1 1 103 103 LYS N N 602 126.471 126.471 126.023 0.448 18466 4241 1 6 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.636 -0.181 18466 4242 1 6 . 1 1 103 103 LYS CA C 602 55.698 55.698 54.197 1.501 18466 4243 1 6 . 1 1 103 103 LYS CB C 602 35.012 35.012 33.370 1.642 18466 4244 1 6 . 1 1 103 103 LYS H H 602 8.335 8.335 8.878 -0.543 18466 4245 1 6 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.368 -0.075 18466 4246 1 6 . 1 1 104 104 ASN C C 603 174.155 174.155 174.444 -0.289 18466 4247 1 6 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.066 0.682 18466 4248 1 6 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.508 -0.332 18466 4249 1 6 . 1 1 105 105 ASN N N 604 108.810 108.810 108.940 -0.130 18466 4250 1 6 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.249 -0.082 18466 4251 1 6 . 1 1 105 105 ASN C C 604 173.758 173.758 173.846 -0.088 18466 4252 1 6 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.616 0.559 18466 4253 1 6 . 1 1 105 105 ASN CB C 604 38.207 38.207 37.473 0.734 18466 4254 1 6 . 1 1 105 105 ASN H H 604 8.680 8.680 8.556 0.124 18466 4255 1 6 . 1 1 106 106 VAL N N 605 121.572 121.572 120.171 1.401 18466 4256 1 6 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.220 0.068 18466 4257 1 6 . 1 1 106 106 VAL C C 605 176.336 176.336 174.987 1.349 18466 4258 1 6 . 1 1 106 106 VAL CA C 605 62.139 62.139 61.341 0.798 18466 4259 1 6 . 1 1 106 106 VAL CB C 605 34.436 34.436 33.398 1.038 18466 4260 1 6 . 1 1 106 106 VAL H H 605 7.908 7.908 7.836 0.072 18466 4261 1 6 . 1 1 107 107 VAL N N 606 133.223 133.223 128.768 4.455 18466 4262 1 6 . 1 1 107 107 VAL HA H 606 4.627 4.627 4.805 -0.178 18466 4263 1 6 . 1 1 107 107 VAL C C 606 174.704 174.704 175.856 -1.152 18466 4264 1 6 . 1 1 107 107 VAL CA C 606 61.787 61.787 61.523 0.264 18466 4265 1 6 . 1 1 107 107 VAL CB C 606 32.211 32.211 31.984 0.227 18466 4266 1 6 . 1 1 107 107 VAL H H 606 9.418 9.418 8.753 0.665 18466 4267 1 6 . 1 1 108 108 SER N N 607 120.743 120.743 123.100 -2.357 18466 4268 1 6 . 1 1 108 108 SER HA H 607 5.365 5.365 5.250 0.115 18466 4269 1 6 . 1 1 108 108 SER C C 607 171.934 171.934 172.524 -0.590 18466 4270 1 6 . 1 1 108 108 SER CA C 607 56.958 56.958 57.280 -0.322 18466 4271 1 6 . 1 1 108 108 SER CB C 607 66.469 66.469 65.760 0.709 18466 4272 1 6 . 1 1 108 108 SER H H 607 9.123 9.123 8.882 0.241 18466 4273 1 6 . 1 1 109 109 VAL N N 608 121.138 121.138 124.384 -3.246 18466 4274 1 6 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.761 0.019 18466 4275 1 6 . 1 1 109 109 VAL C C 608 173.903 173.903 174.863 -0.960 18466 4276 1 6 . 1 1 109 109 VAL CA C 608 57.399 57.399 59.827 -2.428 18466 4277 1 6 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.066 0.896 18466 4278 1 6 . 1 1 109 109 VAL H H 608 9.144 9.144 8.816 0.328 18466 4279 1 6 . 1 1 110 110 ASN N N 609 128.266 128.266 127.059 1.207 18466 4280 1 6 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.316 -0.051 18466 4281 1 6 . 1 1 110 110 ASN C C 609 175.296 175.296 174.750 0.546 18466 4282 1 6 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.389 -0.381 18466 4283 1 6 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.428 -0.507 18466 4284 1 6 . 1 1 110 110 ASN H H 609 9.783 9.783 9.207 0.576 18466 4285 1 6 . 1 1 111 111 LYS N N 610 107.513 107.513 113.222 -5.709 18466 4286 1 6 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.928 -0.280 18466 4287 1 6 . 1 1 111 111 LYS C C 610 175.617 175.617 175.598 0.019 18466 4288 1 6 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.508 -0.105 18466 4289 1 6 . 1 1 111 111 LYS CB C 610 30.521 30.521 32.050 -1.529 18466 4290 1 6 . 1 1 111 111 LYS H H 610 8.302 8.302 8.276 0.026 18466 4291 1 6 . 1 1 112 112 GLU N N 611 125.401 125.401 121.686 3.715 18466 4292 1 6 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.535 0.264 18466 4293 1 6 . 1 1 112 112 GLU CA C 611 52.906 52.906 54.353 -1.447 18466 4294 1 6 . 1 1 112 112 GLU H H 611 8.565 8.565 7.558 1.007 18466 4295 1 6 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.621 0.065 18466 4296 1 6 . 1 1 113 113 PRO C C 612 177.464 177.464 176.113 1.351 18466 4297 1 6 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.510 0.153 18466 4298 1 6 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.080 0.071 18466 4299 1 6 . 1 1 114 114 VAL N N 613 124.842 124.842 124.022 0.820 18466 4300 1 6 . 1 1 114 114 VAL HA H 613 4.284 4.284 4.131 0.153 18466 4301 1 6 . 1 1 114 114 VAL C C 613 176.520 176.520 176.196 0.324 18466 4302 1 6 . 1 1 114 114 VAL CA C 613 62.290 62.290 62.433 -0.143 18466 4303 1 6 . 1 1 114 114 VAL CB C 613 32.203 32.203 31.979 0.224 18466 4304 1 6 . 1 1 114 114 VAL H H 613 9.226 9.226 8.497 0.729 18466 4305 1 6 . 1 1 115 115 ALA N N 614 132.511 132.511 131.980 0.531 18466 4306 1 6 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.356 -0.019 18466 4307 1 6 . 1 1 115 115 ALA C C 614 178.395 178.395 177.311 1.084 18466 4308 1 6 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.684 0.338 18466 4309 1 6 . 1 1 115 115 ALA CB C 614 19.663 19.663 20.055 -0.392 18466 4310 1 6 . 1 1 115 115 ALA H H 614 8.910 8.910 8.998 -0.088 18466 4311 1 6 . 1 1 116 116 GLU N N 615 115.091 115.091 116.787 -1.696 18466 4312 1 6 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.828 0.045 18466 4313 1 6 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.455 0.033 18466 4314 1 6 . 1 1 116 116 GLU H H 615 6.869 6.869 7.861 -0.992 18466 4315 1 6 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.269 0.375 18466 4316 1 6 . 1 1 117 117 PRO C C 616 177.124 177.124 176.514 0.610 18466 4317 1 6 . 1 1 117 117 PRO CA C 616 62.038 62.038 61.988 0.050 18466 4318 1 6 . 1 1 117 117 PRO CB C 616 33.662 33.662 32.695 0.967 18466 4319 1 6 . 1 1 118 118 ASP N N 617 114.361 114.361 116.959 -2.598 18466 4320 1 6 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.350 -0.465 18466 4321 1 6 . 1 1 118 118 ASP C C 617 174.982 174.982 175.810 -0.828 18466 4322 1 6 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.511 -0.636 18466 4323 1 6 . 1 1 118 118 ASP CB C 617 37.661 37.661 39.743 -2.082 18466 4324 1 6 . 1 1 118 118 ASP H H 617 9.745 9.745 8.721 1.024 18466 4325 1 6 . 1 1 119 119 ILE N N 618 121.057 121.057 120.832 0.225 18466 4326 1 6 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.055 -0.016 18466 4327 1 6 . 1 1 119 119 ILE C C 618 175.857 175.857 175.348 0.509 18466 4328 1 6 . 1 1 119 119 ILE CA C 618 62.841 62.841 61.226 1.615 18466 4329 1 6 . 1 1 119 119 ILE CB C 618 36.496 36.496 37.432 -0.937 18466 4330 1 6 . 1 1 119 119 ILE H H 618 8.754 8.754 7.713 1.041 18466 4331 1 6 . 1 1 120 120 MET N N 619 125.664 125.664 126.848 -1.184 18466 4332 1 6 . 1 1 120 120 MET HA H 619 4.604 4.604 4.263 0.341 18466 4333 1 6 . 1 1 120 120 MET C C 619 174.825 174.825 175.774 -0.949 18466 4334 1 6 . 1 1 120 120 MET CA C 619 55.006 55.006 55.426 -0.420 18466 4335 1 6 . 1 1 120 120 MET CB C 619 31.457 31.457 30.564 0.893 18466 4336 1 6 . 1 1 120 120 MET H H 619 8.077 8.077 8.242 -0.165 18466 4337 1 6 . 1 1 121 121 ALA N N 620 122.929 122.929 129.845 -6.916 18466 4338 1 6 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.753 0.142 18466 4339 1 6 . 1 1 121 121 ALA C C 620 177.945 177.945 177.650 0.295 18466 4340 1 6 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.458 -0.435 18466 4341 1 6 . 1 1 121 121 ALA CB C 620 23.030 23.030 21.705 1.325 18466 4342 1 6 . 1 1 121 121 ALA H H 620 8.386 8.386 8.501 -0.115 18466 4343 1 6 . 1 1 122 122 THR N N 621 111.051 111.051 115.023 -3.972 18466 4344 1 6 . 1 1 122 122 THR HA H 621 4.046 4.046 4.088 -0.042 18466 4345 1 6 . 1 1 122 122 THR C C 621 176.366 176.366 174.754 1.612 18466 4346 1 6 . 1 1 122 122 THR CA C 621 64.526 64.526 65.520 -0.994 18466 4347 1 6 . 1 1 122 122 THR CB C 621 68.423 68.423 69.069 -0.646 18466 4348 1 6 . 1 1 122 122 THR H H 621 9.176 9.176 8.352 0.824 18466 4349 1 6 . 1 1 123 123 ASN N N 622 117.402 117.402 118.143 -0.741 18466 4350 1 6 . 1 1 123 123 ASN HA H 622 5.034 5.034 4.969 0.065 18466 4351 1 6 . 1 1 123 123 ASN C C 622 173.258 173.258 174.339 -1.081 18466 4352 1 6 . 1 1 123 123 ASN CA C 622 51.163 51.163 51.842 -0.679 18466 4353 1 6 . 1 1 123 123 ASN CB C 622 37.038 37.038 38.788 -1.750 18466 4354 1 6 . 1 1 123 123 ASN H H 622 7.970 7.970 8.274 -0.304 18466 4355 1 6 . 1 1 124 124 GLY N N 623 102.697 102.697 105.629 -2.932 18466 4356 1 6 . 1 1 124 124 GLY C C 623 169.960 169.960 171.991 -2.031 18466 4357 1 6 . 1 1 124 124 GLY CA C 623 46.700 46.700 45.040 1.660 18466 4358 1 6 . 1 1 124 124 GLY H H 623 6.916 6.916 7.288 -0.372 18466 4359 1 6 . 1 1 125 125 VAL N N 624 120.074 120.074 115.058 5.016 18466 4360 1 6 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.307 -0.425 18466 4361 1 6 . 1 1 125 125 VAL C C 624 170.860 170.860 174.587 -3.727 18466 4362 1 6 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.405 0.192 18466 4363 1 6 . 1 1 125 125 VAL CB C 624 34.915 34.915 35.239 -0.324 18466 4364 1 6 . 1 1 125 125 VAL H H 624 8.474 8.474 8.480 -0.006 18466 4365 1 6 . 1 1 126 126 VAL N N 625 127.537 127.537 120.233 7.304 18466 4366 1 6 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.566 0.075 18466 4367 1 6 . 1 1 126 126 VAL C C 625 172.913 172.913 174.930 -2.017 18466 4368 1 6 . 1 1 126 126 VAL CA C 625 60.474 60.474 60.640 -0.166 18466 4369 1 6 . 1 1 126 126 VAL CB C 625 34.138 34.138 33.482 0.656 18466 4370 1 6 . 1 1 126 126 VAL H H 625 9.093 9.093 7.651 1.442 18466 4371 1 6 . 1 1 127 127 HIS N N 626 124.236 124.236 126.744 -2.508 18466 4372 1 6 . 1 1 127 127 HIS HA H 626 5.499 5.499 4.909 0.590 18466 4373 1 6 . 1 1 127 127 HIS C C 626 175.690 175.690 175.672 0.018 18466 4374 1 6 . 1 1 127 127 HIS CA C 626 53.204 53.204 53.377 -0.173 18466 4375 1 6 . 1 1 127 127 HIS CB C 626 34.315 34.315 28.888 5.427 18466 4376 1 6 . 1 1 127 127 HIS H H 626 8.732 8.732 8.687 0.045 18466 4377 1 6 . 1 1 128 128 VAL N N 627 124.683 124.683 126.860 -2.177 18466 4378 1 6 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.127 0.366 18466 4379 1 6 . 1 1 128 128 VAL C C 627 176.380 176.380 175.826 0.554 18466 4380 1 6 . 1 1 128 128 VAL CA C 627 64.757 64.757 64.052 0.705 18466 4381 1 6 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.941 0.947 18466 4382 1 6 . 1 1 128 128 VAL H H 627 8.827 8.827 8.619 0.208 18466 4383 1 6 . 1 1 129 129 ILE N N 628 121.094 121.094 120.716 0.378 18466 4384 1 6 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.917 0.226 18466 4385 1 6 . 1 1 129 129 ILE C C 628 175.099 175.099 176.314 -1.215 18466 4386 1 6 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.151 1.104 18466 4387 1 6 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.447 1.166 18466 4388 1 6 . 1 1 129 129 ILE H H 628 8.650 8.650 8.849 -0.199 18466 4389 1 6 . 1 1 130 130 THR N N 629 108.406 108.406 113.002 -4.596 18466 4390 1 6 . 1 1 130 130 THR HA H 629 4.666 4.666 4.414 0.252 18466 4391 1 6 . 1 1 130 130 THR C C 629 173.079 173.079 174.336 -1.257 18466 4392 1 6 . 1 1 130 130 THR CA C 629 61.373 61.373 62.892 -1.519 18466 4393 1 6 . 1 1 130 130 THR CB C 629 68.776 68.776 69.436 -0.660 18466 4394 1 6 . 1 1 130 130 THR H H 629 9.359 9.359 8.279 1.080 18466 4395 1 6 . 1 1 131 131 ASN N N 630 117.726 117.726 116.985 0.741 18466 4396 1 6 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.795 0.025 18466 4397 1 6 . 1 1 131 131 ASN C C 630 172.152 172.152 173.215 -1.063 18466 4398 1 6 . 1 1 131 131 ASN CA C 630 52.538 52.538 51.951 0.587 18466 4399 1 6 . 1 1 131 131 ASN CB C 630 43.071 43.071 41.328 1.743 18466 4400 1 6 . 1 1 131 131 ASN H H 630 7.404 7.404 7.679 -0.275 18466 4401 1 6 . 1 1 132 132 VAL N N 631 118.213 118.213 120.192 -1.979 18466 4402 1 6 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.238 -0.250 18466 4403 1 6 . 1 1 132 132 VAL C C 631 176.686 176.686 175.697 0.989 18466 4404 1 6 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.380 0.978 18466 4405 1 6 . 1 1 132 132 VAL CB C 631 32.611 32.611 32.530 0.081 18466 4406 1 6 . 1 1 132 132 VAL H H 631 8.137 8.137 8.294 -0.157 18466 4407 1 6 . 1 1 133 133 LEU N N 632 132.179 132.179 128.682 3.497 18466 4408 1 6 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.237 -0.028 18466 4409 1 6 . 1 1 133 133 LEU C C 632 175.569 175.569 175.800 -0.231 18466 4410 1 6 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.616 0.599 18466 4411 1 6 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.315 0.158 18466 4412 1 6 . 1 1 133 133 LEU H H 632 10.917 10.917 8.336 2.581 18466 4413 1 6 . 1 1 134 134 GLN N N 633 115.538 115.538 124.893 -9.355 18466 4414 1 6 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.715 0.066 18466 4415 1 6 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.499 -0.107 18466 4416 1 6 . 1 1 134 134 GLN H H 633 7.765 7.765 8.342 -0.577 18466 4417 1 7 . 1 1 3 3 MET C C 502 175.880 175.880 175.883 -0.003 18466 4418 1 7 . 1 1 3 3 MET CA C 502 55.950 55.950 55.164 0.785 18466 4419 1 7 . 1 1 3 3 MET CB C 502 34.203 34.203 33.124 1.079 18466 4420 1 7 . 1 1 4 4 GLY N N 503 111.090 111.090 106.972 4.118 18466 4421 1 7 . 1 1 4 4 GLY C C 503 174.009 174.009 172.903 1.106 18466 4422 1 7 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.994 -0.517 18466 4423 1 7 . 1 1 4 4 GLY H H 503 8.375 8.375 7.801 0.574 18466 4424 1 7 . 1 1 5 5 THR N N 504 111.543 111.543 113.582 -2.039 18466 4425 1 7 . 1 1 5 5 THR HA H 504 4.437 4.437 4.503 -0.066 18466 4426 1 7 . 1 1 5 5 THR C C 504 176.361 176.361 175.586 0.775 18466 4427 1 7 . 1 1 5 5 THR CA C 504 61.972 61.972 60.589 1.383 18466 4428 1 7 . 1 1 5 5 THR CB C 504 73.041 73.041 70.914 2.127 18466 4429 1 7 . 1 1 5 5 THR H H 504 9.227 9.227 7.914 1.313 18466 4430 1 7 . 1 1 6 6 VAL N N 505 118.236 118.236 121.915 -3.679 18466 4431 1 7 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.740 -0.487 18466 4432 1 7 . 1 1 6 6 VAL C C 505 177.287 177.287 176.966 0.321 18466 4433 1 7 . 1 1 6 6 VAL CA C 505 67.124 67.124 66.359 0.765 18466 4434 1 7 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.859 -0.362 18466 4435 1 7 . 1 1 6 6 VAL H H 505 9.896 9.896 9.395 0.501 18466 4436 1 7 . 1 1 7 7 MET N N 506 114.146 114.146 114.751 -0.605 18466 4437 1 7 . 1 1 7 7 MET HA H 506 4.358 4.358 4.365 -0.007 18466 4438 1 7 . 1 1 7 7 MET C C 506 178.126 178.126 177.614 0.512 18466 4439 1 7 . 1 1 7 7 MET CA C 506 56.050 56.050 57.366 -1.316 18466 4440 1 7 . 1 1 7 7 MET CB C 506 30.608 30.608 31.569 -0.961 18466 4441 1 7 . 1 1 7 7 MET H H 506 6.970 6.970 7.788 -0.818 18466 4442 1 7 . 1 1 8 8 ASP N N 507 120.413 120.413 121.259 -0.846 18466 4443 1 7 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.427 -0.174 18466 4444 1 7 . 1 1 8 8 ASP C C 507 179.824 179.824 178.412 1.412 18466 4445 1 7 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.530 0.617 18466 4446 1 7 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.946 -0.468 18466 4447 1 7 . 1 1 8 8 ASP H H 507 7.433 7.433 7.639 -0.206 18466 4448 1 7 . 1 1 9 9 VAL N N 508 121.366 121.366 119.637 1.729 18466 4449 1 7 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.769 -0.204 18466 4450 1 7 . 1 1 9 9 VAL C C 508 179.112 179.112 178.801 0.311 18466 4451 1 7 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.252 -0.103 18466 4452 1 7 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.410 0.160 18466 4453 1 7 . 1 1 9 9 VAL H H 508 8.157 8.157 7.844 0.313 18466 4454 1 7 . 1 1 10 10 LEU N N 509 117.252 117.252 120.502 -3.250 18466 4455 1 7 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.403 -0.381 18466 4456 1 7 . 1 1 10 10 LEU C C 509 179.092 179.092 179.518 -0.426 18466 4457 1 7 . 1 1 10 10 LEU CA C 509 57.344 57.344 58.523 -1.179 18466 4458 1 7 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.094 0.828 18466 4459 1 7 . 1 1 10 10 LEU H H 509 7.859 7.859 7.682 0.177 18466 4460 1 7 . 1 1 11 11 LYS N N 510 114.815 114.815 118.615 -3.800 18466 4461 1 7 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.145 -0.191 18466 4462 1 7 . 1 1 11 11 LYS C C 510 178.026 178.026 177.877 0.149 18466 4463 1 7 . 1 1 11 11 LYS CA C 510 59.144 59.144 58.362 0.782 18466 4464 1 7 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.418 0.279 18466 4465 1 7 . 1 1 11 11 LYS H H 510 8.376 8.376 8.245 0.131 18466 4466 1 7 . 1 1 12 12 GLY N N 511 104.635 104.635 105.310 -0.675 18466 4467 1 7 . 1 1 12 12 GLY C C 511 172.558 172.558 173.691 -1.133 18466 4468 1 7 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.368 1.137 18466 4469 1 7 . 1 1 12 12 GLY H H 511 7.593 7.593 7.635 -0.042 18466 4470 1 7 . 1 1 13 13 ASP N N 512 120.111 120.111 119.577 0.534 18466 4471 1 7 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.752 0.243 18466 4472 1 7 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.373 0.210 18466 4473 1 7 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.579 0.378 18466 4474 1 7 . 1 1 13 13 ASP H H 512 7.065 7.065 7.608 -0.543 18466 4475 1 7 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.540 -0.092 18466 4476 1 7 . 1 1 14 14 ASN C C 513 176.736 176.736 176.392 0.344 18466 4477 1 7 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.549 0.343 18466 4478 1 7 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.544 -0.459 18466 4479 1 7 . 1 1 15 15 ARG N N 514 118.917 118.917 119.021 -0.104 18466 4480 1 7 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.108 0.061 18466 4481 1 7 . 1 1 15 15 ARG C C 514 176.145 176.145 178.474 -2.329 18466 4482 1 7 . 1 1 15 15 ARG CA C 514 58.062 58.062 58.717 -0.655 18466 4483 1 7 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.090 0.576 18466 4484 1 7 . 1 1 15 15 ARG H H 514 8.581 8.581 8.194 0.387 18466 4485 1 7 . 1 1 16 16 PHE N N 515 113.226 113.226 118.633 -5.407 18466 4486 1 7 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.622 1.157 18466 4487 1 7 . 1 1 16 16 PHE C C 515 176.587 176.587 177.964 -1.377 18466 4488 1 7 . 1 1 16 16 PHE CA C 515 56.064 56.064 57.181 -1.117 18466 4489 1 7 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.647 0.924 18466 4490 1 7 . 1 1 16 16 PHE H H 515 7.600 7.600 9.102 -1.502 18466 4491 1 7 . 1 1 17 17 SER N N 516 116.620 116.620 115.888 0.732 18466 4492 1 7 . 1 1 17 17 SER HA H 516 4.049 4.049 4.180 -0.131 18466 4493 1 7 . 1 1 17 17 SER C C 516 178.564 178.564 176.324 2.240 18466 4494 1 7 . 1 1 17 17 SER CA C 516 62.683 62.683 61.461 1.222 18466 4495 1 7 . 1 1 17 17 SER CB C 516 62.150 62.150 62.686 -0.536 18466 4496 1 7 . 1 1 17 17 SER H H 516 7.532 7.532 7.821 -0.289 18466 4497 1 7 . 1 1 18 18 MET N N 517 124.356 124.356 119.572 4.784 18466 4498 1 7 . 1 1 18 18 MET HA H 517 3.991 3.991 4.085 -0.094 18466 4499 1 7 . 1 1 18 18 MET C C 517 178.066 178.066 177.883 0.183 18466 4500 1 7 . 1 1 18 18 MET CA C 517 59.462 59.462 58.435 1.027 18466 4501 1 7 . 1 1 18 18 MET CB C 517 31.596 31.596 32.305 -0.709 18466 4502 1 7 . 1 1 18 18 MET H H 517 9.291 9.291 7.610 1.681 18466 4503 1 7 . 1 1 19 19 LEU N N 518 123.835 123.835 121.116 2.719 18466 4504 1 7 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.171 -0.250 18466 4505 1 7 . 1 1 19 19 LEU C C 518 178.217 178.217 178.143 0.074 18466 4506 1 7 . 1 1 19 19 LEU CA C 518 58.140 58.140 57.884 0.256 18466 4507 1 7 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.361 -0.029 18466 4508 1 7 . 1 1 19 19 LEU H H 518 8.615 8.615 7.513 1.102 18466 4509 1 7 . 1 1 20 20 VAL N N 519 118.876 118.876 119.802 -0.926 18466 4510 1 7 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.559 -0.254 18466 4511 1 7 . 1 1 20 20 VAL C C 519 178.174 178.174 177.625 0.549 18466 4512 1 7 . 1 1 20 20 VAL CA C 519 67.850 67.850 67.065 0.785 18466 4513 1 7 . 1 1 20 20 VAL CB C 519 31.701 31.701 30.731 0.970 18466 4514 1 7 . 1 1 20 20 VAL H H 519 9.059 9.059 8.061 0.998 18466 4515 1 7 . 1 1 21 21 ALA N N 520 122.184 122.184 122.568 -0.384 18466 4516 1 7 . 1 1 21 21 ALA HA H 520 4.156 4.156 3.927 0.229 18466 4517 1 7 . 1 1 21 21 ALA C C 520 180.310 180.310 178.861 1.449 18466 4518 1 7 . 1 1 21 21 ALA CA C 520 55.066 55.066 55.258 -0.191 18466 4519 1 7 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.820 -0.014 18466 4520 1 7 . 1 1 21 21 ALA H H 520 7.482 7.482 7.662 -0.180 18466 4521 1 7 . 1 1 22 22 ALA N N 521 123.379 123.379 122.145 1.234 18466 4522 1 7 . 1 1 22 22 ALA HA H 521 4.102 4.102 4.028 0.074 18466 4523 1 7 . 1 1 22 22 ALA C C 521 178.705 178.705 179.604 -0.899 18466 4524 1 7 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.984 -0.076 18466 4525 1 7 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.291 -0.420 18466 4526 1 7 . 1 1 22 22 ALA H H 521 8.286 8.286 7.515 0.771 18466 4527 1 7 . 1 1 23 23 ILE N N 522 120.263 120.263 119.242 1.021 18466 4528 1 7 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.515 -0.211 18466 4529 1 7 . 1 1 23 23 ILE C C 522 178.025 178.025 178.104 -0.079 18466 4530 1 7 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.377 0.602 18466 4531 1 7 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.619 0.748 18466 4532 1 7 . 1 1 23 23 ILE H H 522 8.900 8.900 8.582 0.318 18466 4533 1 7 . 1 1 24 24 GLN N N 523 118.959 118.959 120.126 -1.167 18466 4534 1 7 . 1 1 24 24 GLN HA H 523 4.188 4.188 3.980 0.208 18466 4535 1 7 . 1 1 24 24 GLN C C 523 180.253 180.253 178.601 1.652 18466 4536 1 7 . 1 1 24 24 GLN CA C 523 58.593 58.593 59.051 -0.458 18466 4537 1 7 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.789 -1.157 18466 4538 1 7 . 1 1 24 24 GLN H H 523 7.898 7.898 8.510 -0.612 18466 4539 1 7 . 1 1 25 25 SER N N 524 118.150 118.150 115.940 2.210 18466 4540 1 7 . 1 1 25 25 SER HA H 524 4.188 4.188 4.211 -0.023 18466 4541 1 7 . 1 1 25 25 SER C C 524 175.635 175.635 176.183 -0.548 18466 4542 1 7 . 1 1 25 25 SER CA C 524 61.732 61.732 60.958 0.774 18466 4543 1 7 . 1 1 25 25 SER CB C 524 63.140 63.140 63.187 -0.047 18466 4544 1 7 . 1 1 25 25 SER H H 524 8.405 8.405 8.082 0.323 18466 4545 1 7 . 1 1 26 26 ALA N N 525 119.360 119.360 121.924 -2.564 18466 4546 1 7 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.353 0.015 18466 4547 1 7 . 1 1 26 26 ALA C C 525 176.960 176.960 177.964 -1.004 18466 4548 1 7 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.425 -0.269 18466 4549 1 7 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.403 0.544 18466 4550 1 7 . 1 1 26 26 ALA H H 525 8.277 8.277 8.060 0.217 18466 4551 1 7 . 1 1 27 27 GLY N N 526 105.968 105.968 106.579 -0.611 18466 4552 1 7 . 1 1 27 27 GLY C C 526 176.602 176.602 175.113 1.489 18466 4553 1 7 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.218 1.257 18466 4554 1 7 . 1 1 27 27 GLY H H 526 7.789 7.789 7.879 -0.090 18466 4555 1 7 . 1 1 28 28 LEU N N 527 118.466 118.466 118.123 0.343 18466 4556 1 7 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.666 -0.213 18466 4557 1 7 . 1 1 28 28 LEU C C 527 175.805 175.805 177.095 -1.290 18466 4558 1 7 . 1 1 28 28 LEU CA C 527 54.816 54.816 53.573 1.243 18466 4559 1 7 . 1 1 28 28 LEU CB C 527 45.181 45.181 41.428 3.753 18466 4560 1 7 . 1 1 28 28 LEU H H 527 8.088 8.088 7.877 0.211 18466 4561 1 7 . 1 1 29 29 THR N N 528 118.037 118.037 115.801 2.236 18466 4562 1 7 . 1 1 29 29 THR HA H 528 3.539 3.539 3.975 -0.436 18466 4563 1 7 . 1 1 29 29 THR C C 528 175.526 175.526 175.951 -0.425 18466 4564 1 7 . 1 1 29 29 THR CA C 528 66.828 66.828 66.493 0.335 18466 4565 1 7 . 1 1 29 29 THR CB C 528 68.754 68.754 68.520 0.234 18466 4566 1 7 . 1 1 29 29 THR H H 528 7.593 7.593 8.119 -0.526 18466 4567 1 7 . 1 1 30 30 GLU N N 529 117.711 117.711 120.321 -2.610 18466 4568 1 7 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.145 -0.173 18466 4569 1 7 . 1 1 30 30 GLU C C 529 179.395 179.395 177.841 1.554 18466 4570 1 7 . 1 1 30 30 GLU CA C 529 59.788 59.788 59.088 0.700 18466 4571 1 7 . 1 1 30 30 GLU CB C 529 28.458 28.458 29.027 -0.569 18466 4572 1 7 . 1 1 30 30 GLU H H 529 8.304 8.304 8.727 -0.423 18466 4573 1 7 . 1 1 31 31 THR N N 530 116.155 116.155 115.597 0.558 18466 4574 1 7 . 1 1 31 31 THR HA H 530 3.756 3.756 4.051 -0.295 18466 4575 1 7 . 1 1 31 31 THR C C 530 175.838 175.838 175.563 0.275 18466 4576 1 7 . 1 1 31 31 THR CA C 530 67.156 67.156 66.277 0.879 18466 4577 1 7 . 1 1 31 31 THR CB C 530 69.159 69.159 68.872 0.287 18466 4578 1 7 . 1 1 31 31 THR H H 530 7.692 7.692 7.468 0.224 18466 4579 1 7 . 1 1 32 32 LEU N N 531 116.655 116.655 117.167 -0.512 18466 4580 1 7 . 1 1 32 32 LEU HA H 531 3.921 3.921 3.996 -0.075 18466 4581 1 7 . 1 1 32 32 LEU C C 531 176.177 176.177 176.621 -0.444 18466 4582 1 7 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.438 1.115 18466 4583 1 7 . 1 1 32 32 LEU CB C 531 41.533 41.533 40.534 0.999 18466 4584 1 7 . 1 1 32 32 LEU H H 531 7.103 7.103 7.550 -0.447 18466 4585 1 7 . 1 1 33 33 ASN N N 532 118.711 118.711 118.925 -0.214 18466 4586 1 7 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.642 0.334 18466 4587 1 7 . 1 1 33 33 ASN C C 532 174.819 174.819 175.777 -0.958 18466 4588 1 7 . 1 1 33 33 ASN CA C 532 52.121 52.121 54.279 -2.158 18466 4589 1 7 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.525 1.464 18466 4590 1 7 . 1 1 33 33 ASN H H 532 7.735 7.735 7.484 0.251 18466 4591 1 7 . 1 1 34 34 ARG N N 533 119.777 119.777 121.458 -1.681 18466 4592 1 7 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.302 0.227 18466 4593 1 7 . 1 1 34 34 ARG C C 533 175.340 175.340 175.741 -0.401 18466 4594 1 7 . 1 1 34 34 ARG CA C 533 55.624 55.624 55.941 -0.318 18466 4595 1 7 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.271 1.534 18466 4596 1 7 . 1 1 34 34 ARG H H 533 7.287 7.287 7.574 -0.287 18466 4597 1 7 . 1 1 35 35 GLU N N 534 120.198 120.198 123.341 -3.143 18466 4598 1 7 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.352 -0.117 18466 4599 1 7 . 1 1 35 35 GLU C C 534 176.305 176.305 175.772 0.533 18466 4600 1 7 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.266 1.472 18466 4601 1 7 . 1 1 35 35 GLU CB C 534 29.694 29.694 30.252 -0.558 18466 4602 1 7 . 1 1 35 35 GLU H H 534 8.517 8.517 8.586 -0.069 18466 4603 1 7 . 1 1 36 36 GLY N N 535 111.018 111.018 109.855 1.163 18466 4604 1 7 . 1 1 36 36 GLY C C 535 170.570 170.570 172.091 -1.521 18466 4605 1 7 . 1 1 36 36 GLY CA C 535 44.825 44.825 45.106 -0.281 18466 4606 1 7 . 1 1 36 36 GLY H H 535 7.955 7.955 8.527 -0.572 18466 4607 1 7 . 1 1 37 37 VAL N N 536 114.867 114.867 117.761 -2.894 18466 4608 1 7 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.599 -0.471 18466 4609 1 7 . 1 1 37 37 VAL C C 536 173.020 173.020 173.840 -0.820 18466 4610 1 7 . 1 1 37 37 VAL CA C 536 59.407 59.407 60.077 -0.670 18466 4611 1 7 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.830 -0.148 18466 4612 1 7 . 1 1 37 37 VAL H H 536 7.198 7.198 7.669 -0.471 18466 4613 1 7 . 1 1 38 38 TYR N N 537 117.363 117.363 122.705 -5.342 18466 4614 1 7 . 1 1 38 38 TYR HA H 537 5.199 5.199 5.049 0.150 18466 4615 1 7 . 1 1 38 38 TYR C C 537 176.278 176.278 174.738 1.540 18466 4616 1 7 . 1 1 38 38 TYR CA C 537 56.770 56.770 57.322 -0.552 18466 4617 1 7 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.830 -0.286 18466 4618 1 7 . 1 1 38 38 TYR H H 537 7.507 7.507 8.472 -0.965 18466 4619 1 7 . 1 1 39 39 THR N N 538 117.120 117.120 119.120 -2.000 18466 4620 1 7 . 1 1 39 39 THR HA H 538 4.781 4.781 4.922 -0.141 18466 4621 1 7 . 1 1 39 39 THR C C 538 173.406 173.406 173.094 0.312 18466 4622 1 7 . 1 1 39 39 THR CA C 538 62.197 62.197 62.044 0.153 18466 4623 1 7 . 1 1 39 39 THR CB C 538 70.922 70.922 69.791 1.131 18466 4624 1 7 . 1 1 39 39 THR H H 538 7.906 7.906 9.265 -1.359 18466 4625 1 7 . 1 1 40 40 VAL N N 539 126.768 126.768 126.876 -0.108 18466 4626 1 7 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.833 -0.230 18466 4627 1 7 . 1 1 40 40 VAL C C 539 174.038 174.038 174.548 -0.510 18466 4628 1 7 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.629 0.539 18466 4629 1 7 . 1 1 40 40 VAL CB C 539 33.995 33.995 33.837 0.159 18466 4630 1 7 . 1 1 40 40 VAL H H 539 9.154 9.154 8.691 0.463 18466 4631 1 7 . 1 1 41 41 PHE N N 540 128.517 128.517 126.990 1.527 18466 4632 1 7 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.207 0.124 18466 4633 1 7 . 1 1 41 41 PHE C C 540 173.429 173.429 175.302 -1.873 18466 4634 1 7 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.567 1.115 18466 4635 1 7 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.509 -1.060 18466 4636 1 7 . 1 1 41 41 PHE H H 540 9.087 9.087 9.034 0.053 18466 4637 1 7 . 1 1 42 42 ALA N N 541 125.981 125.981 129.499 -3.518 18466 4638 1 7 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.719 -0.136 18466 4639 1 7 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.083 -0.087 18466 4640 1 7 . 1 1 42 42 ALA CB C 541 23.007 23.007 19.198 3.809 18466 4641 1 7 . 1 1 42 42 ALA H H 541 8.666 8.666 8.382 0.284 18466 4642 1 7 . 1 1 43 43 PRO HA H 542 5.017 5.017 4.909 0.108 18466 4643 1 7 . 1 1 43 43 PRO C C 542 177.809 177.809 177.238 0.571 18466 4644 1 7 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.620 -1.542 18466 4645 1 7 . 1 1 43 43 PRO CB C 542 31.835 31.835 31.642 0.193 18466 4646 1 7 . 1 1 44 44 THR N N 543 112.053 112.053 115.087 -3.034 18466 4647 1 7 . 1 1 44 44 THR HA H 543 4.464 4.464 4.698 -0.234 18466 4648 1 7 . 1 1 44 44 THR C C 543 176.413 176.413 175.825 0.588 18466 4649 1 7 . 1 1 44 44 THR CA C 543 60.762 60.762 59.343 1.419 18466 4650 1 7 . 1 1 44 44 THR CB C 543 71.542 71.542 71.310 0.232 18466 4651 1 7 . 1 1 44 44 THR H H 543 7.731 7.731 8.351 -0.620 18466 4652 1 7 . 1 1 45 45 ASN N N 544 119.183 119.183 119.496 -0.313 18466 4653 1 7 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.395 0.305 18466 4654 1 7 . 1 1 45 45 ASN C C 544 178.324 178.324 177.359 0.965 18466 4655 1 7 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.974 -0.668 18466 4656 1 7 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.571 -1.365 18466 4657 1 7 . 1 1 45 45 ASN H H 544 8.883 8.883 9.063 -0.180 18466 4658 1 7 . 1 1 46 46 GLU N N 545 118.549 118.549 117.929 0.620 18466 4659 1 7 . 1 1 46 46 GLU C C 545 178.200 178.200 177.955 0.245 18466 4660 1 7 . 1 1 46 46 GLU CA C 545 59.936 59.936 58.840 1.096 18466 4661 1 7 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.940 0.407 18466 4662 1 7 . 1 1 46 46 GLU H H 545 8.283 8.283 8.306 -0.023 18466 4663 1 7 . 1 1 47 47 ALA N N 546 122.120 122.120 122.131 -0.011 18466 4664 1 7 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.261 -0.217 18466 4665 1 7 . 1 1 47 47 ALA C C 546 180.432 180.432 179.903 0.529 18466 4666 1 7 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.416 0.653 18466 4667 1 7 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.749 0.844 18466 4668 1 7 . 1 1 47 47 ALA H H 546 7.485 7.485 7.704 -0.219 18466 4669 1 7 . 1 1 48 48 PHE N N 547 115.213 115.213 118.262 -3.049 18466 4670 1 7 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.266 -0.220 18466 4671 1 7 . 1 1 48 48 PHE C C 547 179.098 179.098 178.385 0.713 18466 4672 1 7 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.675 0.430 18466 4673 1 7 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.694 1.065 18466 4674 1 7 . 1 1 48 48 PHE H H 547 7.363 7.363 7.665 -0.302 18466 4675 1 7 . 1 1 49 49 ARG N N 548 118.451 118.451 119.997 -1.546 18466 4676 1 7 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.043 -0.054 18466 4677 1 7 . 1 1 49 49 ARG C C 548 176.382 176.382 176.682 -0.300 18466 4678 1 7 . 1 1 49 49 ARG CA C 548 58.915 58.915 58.521 0.394 18466 4679 1 7 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.274 -0.124 18466 4680 1 7 . 1 1 49 49 ARG H H 548 8.266 8.266 8.033 0.233 18466 4681 1 7 . 1 1 50 50 ALA N N 549 118.978 118.978 120.232 -1.254 18466 4682 1 7 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.327 -0.048 18466 4683 1 7 . 1 1 50 50 ALA C C 549 178.745 178.745 177.817 0.928 18466 4684 1 7 . 1 1 50 50 ALA CA C 549 52.652 52.652 51.877 0.775 18466 4685 1 7 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.257 -0.310 18466 4686 1 7 . 1 1 50 50 ALA H H 549 7.416 7.416 7.465 -0.049 18466 4687 1 7 . 1 1 51 51 LEU N N 550 119.842 119.842 122.693 -2.851 18466 4688 1 7 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.518 0.013 18466 4689 1 7 . 1 1 51 51 LEU CA C 550 53.313 53.313 52.799 0.514 18466 4690 1 7 . 1 1 51 51 LEU CB C 550 42.418 42.418 41.708 0.710 18466 4691 1 7 . 1 1 51 51 LEU H H 550 7.138 7.138 7.368 -0.230 18466 4692 1 7 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.733 0.056 18466 4693 1 7 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.828 -0.043 18466 4694 1 7 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.263 0.079 18466 4695 1 7 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.071 0.044 18466 4696 1 7 . 1 1 53 53 PRO CA C 552 66.346 66.346 66.293 0.053 18466 4697 1 7 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.846 1.537 18466 4698 1 7 . 1 1 54 54 ARG C C 553 179.024 179.024 178.621 0.403 18466 4699 1 7 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.859 -0.405 18466 4700 1 7 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.441 0.253 18466 4701 1 7 . 1 1 55 55 GLU N N 554 119.712 119.712 118.431 1.281 18466 4702 1 7 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.088 0.278 18466 4703 1 7 . 1 1 55 55 GLU C C 554 178.437 178.437 179.024 -0.587 18466 4704 1 7 . 1 1 55 55 GLU CA C 554 58.362 58.362 59.170 -0.808 18466 4705 1 7 . 1 1 55 55 GLU CB C 554 29.727 29.727 28.774 0.953 18466 4706 1 7 . 1 1 55 55 GLU H H 554 7.526 7.526 7.927 -0.401 18466 4707 1 7 . 1 1 56 56 ARG N N 555 120.112 120.112 118.785 1.327 18466 4708 1 7 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.179 -0.334 18466 4709 1 7 . 1 1 56 56 ARG C C 555 177.902 177.902 178.893 -0.991 18466 4710 1 7 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.088 1.274 18466 4711 1 7 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.800 0.495 18466 4712 1 7 . 1 1 56 56 ARG H H 555 8.452 8.452 8.469 -0.017 18466 4713 1 7 . 1 1 57 57 SER N N 556 111.829 111.829 115.623 -3.794 18466 4714 1 7 . 1 1 57 57 SER HA H 556 4.138 4.138 4.349 -0.211 18466 4715 1 7 . 1 1 57 57 SER C C 556 177.151 177.151 175.921 1.230 18466 4716 1 7 . 1 1 57 57 SER CA C 556 61.661 61.661 60.601 1.060 18466 4717 1 7 . 1 1 57 57 SER CB C 556 62.874 62.874 63.045 -0.171 18466 4718 1 7 . 1 1 57 57 SER H H 556 8.200 8.200 8.176 0.024 18466 4719 1 7 . 1 1 58 58 ARG N N 557 122.459 122.459 122.256 0.203 18466 4720 1 7 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.191 -0.123 18466 4721 1 7 . 1 1 58 58 ARG C C 557 178.190 178.190 178.427 -0.237 18466 4722 1 7 . 1 1 58 58 ARG CA C 557 59.121 59.121 57.689 1.432 18466 4723 1 7 . 1 1 58 58 ARG CB C 557 30.508 30.508 29.414 1.094 18466 4724 1 7 . 1 1 58 58 ARG H H 557 7.589 7.589 7.524 0.065 18466 4725 1 7 . 1 1 59 59 LEU N N 558 117.826 117.826 120.922 -3.096 18466 4726 1 7 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.128 -0.019 18466 4727 1 7 . 1 1 59 59 LEU C C 558 177.217 177.217 177.626 -0.409 18466 4728 1 7 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.866 -0.088 18466 4729 1 7 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.163 0.265 18466 4730 1 7 . 1 1 59 59 LEU H H 558 8.034 8.034 7.933 0.101 18466 4731 1 7 . 1 1 60 60 LEU N N 559 112.187 112.187 115.779 -3.592 18466 4732 1 7 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.391 -0.179 18466 4733 1 7 . 1 1 60 60 LEU C C 559 179.037 179.037 178.008 1.029 18466 4734 1 7 . 1 1 60 60 LEU CA C 559 56.250 56.250 54.943 1.307 18466 4735 1 7 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.682 -0.496 18466 4736 1 7 . 1 1 60 60 LEU H H 559 7.844 7.844 7.859 -0.016 18466 4737 1 7 . 1 1 61 61 GLY N N 560 104.550 104.550 108.260 -3.710 18466 4738 1 7 . 1 1 61 61 GLY C C 560 173.292 173.292 174.428 -1.136 18466 4739 1 7 . 1 1 61 61 GLY CA C 560 45.525 45.525 45.151 0.374 18466 4740 1 7 . 1 1 61 61 GLY H H 560 7.565 7.565 7.645 -0.080 18466 4741 1 7 . 1 1 62 62 ASP N N 561 120.720 120.720 122.662 -1.942 18466 4742 1 7 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.892 0.004 18466 4743 1 7 . 1 1 62 62 ASP C C 561 174.791 174.791 175.599 -0.808 18466 4744 1 7 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.501 -0.944 18466 4745 1 7 . 1 1 62 62 ASP CB C 561 42.146 42.146 42.154 -0.008 18466 4746 1 7 . 1 1 62 62 ASP H H 561 7.255 7.255 7.913 -0.658 18466 4747 1 7 . 1 1 63 63 ALA N N 562 126.814 126.814 128.468 -1.654 18466 4748 1 7 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.010 0.031 18466 4749 1 7 . 1 1 63 63 ALA C C 562 180.100 180.100 179.180 0.920 18466 4750 1 7 . 1 1 63 63 ALA CA C 562 55.682 55.682 55.285 0.397 18466 4751 1 7 . 1 1 63 63 ALA CB C 562 18.903 18.903 18.864 0.039 18466 4752 1 7 . 1 1 63 63 ALA H H 562 8.674 8.674 8.940 -0.266 18466 4753 1 7 . 1 1 64 64 LYS N N 563 118.169 118.169 118.749 -0.580 18466 4754 1 7 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.156 0.001 18466 4755 1 7 . 1 1 64 64 LYS C C 563 179.513 179.513 178.824 0.689 18466 4756 1 7 . 1 1 64 64 LYS CA C 563 59.404 59.404 58.997 0.407 18466 4757 1 7 . 1 1 64 64 LYS CB C 563 31.966 31.966 31.416 0.550 18466 4758 1 7 . 1 1 64 64 LYS H H 563 8.143 8.143 8.478 -0.335 18466 4759 1 7 . 1 1 65 65 GLU N N 564 121.540 121.540 119.841 1.699 18466 4760 1 7 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.109 0.156 18466 4761 1 7 . 1 1 65 65 GLU C C 564 179.400 179.400 179.030 0.370 18466 4762 1 7 . 1 1 65 65 GLU CA C 564 58.381 58.381 59.300 -0.919 18466 4763 1 7 . 1 1 65 65 GLU CB C 564 29.262 29.262 28.986 0.275 18466 4764 1 7 . 1 1 65 65 GLU H H 564 7.812 7.812 7.572 0.240 18466 4765 1 7 . 1 1 66 66 LEU N N 565 120.816 120.816 120.193 0.623 18466 4766 1 7 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.996 0.118 18466 4767 1 7 . 1 1 66 66 LEU C C 565 178.632 178.632 178.992 -0.360 18466 4768 1 7 . 1 1 66 66 LEU CA C 565 58.006 58.006 58.014 -0.008 18466 4769 1 7 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.441 -0.041 18466 4770 1 7 . 1 1 66 66 LEU H H 565 8.757 8.757 7.695 1.062 18466 4771 1 7 . 1 1 67 67 ALA N N 566 118.909 118.909 121.583 -2.674 18466 4772 1 7 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.937 -0.021 18466 4773 1 7 . 1 1 67 67 ALA C C 566 178.874 178.874 179.531 -0.657 18466 4774 1 7 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.249 0.717 18466 4775 1 7 . 1 1 67 67 ALA CB C 566 18.119 18.119 18.314 -0.195 18466 4776 1 7 . 1 1 67 67 ALA H H 566 8.058 8.058 7.851 0.207 18466 4777 1 7 . 1 1 68 68 ASN N N 567 115.314 115.314 117.683 -2.369 18466 4778 1 7 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.443 -0.001 18466 4779 1 7 . 1 1 68 68 ASN C C 567 176.598 176.598 178.066 -1.468 18466 4780 1 7 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.250 0.896 18466 4781 1 7 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.565 0.467 18466 4782 1 7 . 1 1 68 68 ASN H H 567 7.478 7.478 8.309 -0.831 18466 4783 1 7 . 1 1 69 69 ILE N N 568 117.111 117.111 119.331 -2.220 18466 4784 1 7 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.951 0.045 18466 4785 1 7 . 1 1 69 69 ILE C C 568 179.707 179.707 178.389 1.318 18466 4786 1 7 . 1 1 69 69 ILE CA C 568 63.604 63.604 63.932 -0.328 18466 4787 1 7 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.104 0.324 18466 4788 1 7 . 1 1 69 69 ILE H H 568 8.027 8.027 8.517 -0.490 18466 4789 1 7 . 1 1 70 70 LEU N N 569 121.388 121.388 121.455 -0.067 18466 4790 1 7 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.566 -0.466 18466 4791 1 7 . 1 1 70 70 LEU C C 569 179.729 179.729 179.300 0.429 18466 4792 1 7 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.790 0.802 18466 4793 1 7 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.800 0.114 18466 4794 1 7 . 1 1 70 70 LEU H H 569 8.985 8.985 8.197 0.788 18466 4795 1 7 . 1 1 71 71 LYS N N 570 116.226 116.226 120.101 -3.875 18466 4796 1 7 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.008 -0.070 18466 4797 1 7 . 1 1 71 71 LYS C C 570 177.620 177.620 178.085 -0.465 18466 4798 1 7 . 1 1 71 71 LYS CA C 570 60.800 60.800 59.609 1.191 18466 4799 1 7 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.129 0.312 18466 4800 1 7 . 1 1 71 71 LYS H H 570 8.525 8.525 8.304 0.221 18466 4801 1 7 . 1 1 72 72 TYR N N 571 120.076 120.076 117.927 2.149 18466 4802 1 7 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.401 0.223 18466 4803 1 7 . 1 1 72 72 TYR C C 571 171.915 171.915 176.703 -4.788 18466 4804 1 7 . 1 1 72 72 TYR CA C 571 58.886 58.886 59.628 -0.742 18466 4805 1 7 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.079 0.684 18466 4806 1 7 . 1 1 72 72 TYR H H 571 7.624 7.624 7.614 0.010 18466 4807 1 7 . 1 1 73 73 HIS N N 572 108.895 108.895 115.967 -7.072 18466 4808 1 7 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.544 -0.353 18466 4809 1 7 . 1 1 73 73 HIS C C 572 173.852 173.852 173.889 -0.037 18466 4810 1 7 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.248 0.621 18466 4811 1 7 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.639 -2.481 18466 4812 1 7 . 1 1 73 73 HIS H H 572 7.532 7.532 7.727 -0.195 18466 4813 1 7 . 1 1 74 74 ILE N N 573 117.580 117.580 119.698 -2.118 18466 4814 1 7 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.803 0.406 18466 4815 1 7 . 1 1 74 74 ILE C C 573 175.691 175.691 174.952 0.739 18466 4816 1 7 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.334 -0.707 18466 4817 1 7 . 1 1 74 74 ILE CB C 573 40.690 40.690 39.748 0.941 18466 4818 1 7 . 1 1 74 74 ILE H H 573 7.310 7.310 7.150 0.160 18466 4819 1 7 . 1 1 75 75 GLY N N 574 111.704 111.704 113.353 -1.649 18466 4820 1 7 . 1 1 75 75 GLY C C 574 173.963 173.963 174.082 -0.119 18466 4821 1 7 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.779 0.156 18466 4822 1 7 . 1 1 75 75 GLY H H 574 10.187 10.187 9.341 0.846 18466 4823 1 7 . 1 1 76 76 ASP N N 575 120.565 120.565 119.988 0.577 18466 4824 1 7 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.677 0.091 18466 4825 1 7 . 1 1 76 76 ASP C C 575 174.774 174.774 175.402 -0.628 18466 4826 1 7 . 1 1 76 76 ASP CA C 575 53.727 53.727 54.020 -0.293 18466 4827 1 7 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.097 -0.261 18466 4828 1 7 . 1 1 76 76 ASP H H 575 8.356 8.356 8.101 0.255 18466 4829 1 7 . 1 1 77 77 GLU N N 576 114.303 114.303 118.151 -3.848 18466 4830 1 7 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.514 -0.043 18466 4831 1 7 . 1 1 77 77 GLU C C 576 175.374 175.374 175.679 -0.305 18466 4832 1 7 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.649 -0.162 18466 4833 1 7 . 1 1 77 77 GLU CB C 576 33.319 33.319 33.098 0.221 18466 4834 1 7 . 1 1 77 77 GLU H H 576 7.271 7.271 8.135 -0.864 18466 4835 1 7 . 1 1 78 78 ILE N N 577 120.967 120.967 126.424 -5.457 18466 4836 1 7 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.397 -0.820 18466 4837 1 7 . 1 1 78 78 ILE C C 577 174.824 174.824 175.683 -0.859 18466 4838 1 7 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.526 0.802 18466 4839 1 7 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.151 0.259 18466 4840 1 7 . 1 1 78 78 ILE H H 577 8.498 8.498 8.613 -0.115 18466 4841 1 7 . 1 1 79 79 LEU N N 578 132.772 132.772 131.350 1.422 18466 4842 1 7 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.809 -0.037 18466 4843 1 7 . 1 1 79 79 LEU C C 578 174.159 174.159 174.860 -0.701 18466 4844 1 7 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.282 0.615 18466 4845 1 7 . 1 1 79 79 LEU CB C 578 44.049 44.049 43.886 0.163 18466 4846 1 7 . 1 1 79 79 LEU H H 578 7.992 7.992 8.232 -0.240 18466 4847 1 7 . 1 1 80 80 VAL N N 579 118.382 118.382 121.572 -3.190 18466 4848 1 7 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.739 0.032 18466 4849 1 7 . 1 1 80 80 VAL C C 579 178.418 178.418 175.877 2.541 18466 4850 1 7 . 1 1 80 80 VAL CA C 579 59.503 59.503 59.726 -0.223 18466 4851 1 7 . 1 1 80 80 VAL CB C 579 33.434 33.434 34.222 -0.788 18466 4852 1 7 . 1 1 80 80 VAL H H 579 7.954 7.954 8.342 -0.388 18466 4853 1 7 . 1 1 81 81 SER N N 580 121.875 121.875 117.986 3.889 18466 4854 1 7 . 1 1 81 81 SER HA H 580 3.838 3.838 4.246 -0.408 18466 4855 1 7 . 1 1 81 81 SER C C 580 177.145 177.145 176.268 0.877 18466 4856 1 7 . 1 1 81 81 SER CA C 580 62.909 62.909 61.344 1.565 18466 4857 1 7 . 1 1 81 81 SER CB C 580 62.215 62.215 63.114 -0.899 18466 4858 1 7 . 1 1 81 81 SER H H 580 11.083 11.083 9.353 1.730 18466 4859 1 7 . 1 1 82 82 GLY N N 581 107.458 107.458 106.418 1.040 18466 4860 1 7 . 1 1 82 82 GLY C C 581 174.750 174.750 174.369 0.381 18466 4861 1 7 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.125 0.814 18466 4862 1 7 . 1 1 82 82 GLY H H 581 8.277 8.277 8.663 -0.386 18466 4863 1 7 . 1 1 83 83 GLY N N 582 107.852 107.852 107.932 -0.080 18466 4864 1 7 . 1 1 83 83 GLY C C 582 174.378 174.378 174.743 -0.365 18466 4865 1 7 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.991 -0.465 18466 4866 1 7 . 1 1 83 83 GLY H H 582 8.246 8.246 7.627 0.619 18466 4867 1 7 . 1 1 84 84 ILE N N 583 120.968 120.968 119.994 0.974 18466 4868 1 7 . 1 1 84 84 ILE HA H 583 3.817 3.817 4.078 -0.261 18466 4869 1 7 . 1 1 84 84 ILE C C 583 175.640 175.640 177.046 -1.406 18466 4870 1 7 . 1 1 84 84 ILE CA C 583 62.947 62.947 62.739 0.208 18466 4871 1 7 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.781 0.307 18466 4872 1 7 . 1 1 84 84 ILE H H 583 7.306 7.306 7.400 -0.094 18466 4873 1 7 . 1 1 85 85 GLY N N 584 112.093 112.093 107.611 4.482 18466 4874 1 7 . 1 1 85 85 GLY C C 584 173.086 173.086 173.836 -0.750 18466 4875 1 7 . 1 1 85 85 GLY CA C 584 45.544 45.544 46.211 -0.667 18466 4876 1 7 . 1 1 85 85 GLY H H 584 7.947 7.947 8.562 -0.615 18466 4877 1 7 . 1 1 86 86 ALA N N 585 125.044 125.044 124.007 1.037 18466 4878 1 7 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.714 -0.400 18466 4879 1 7 . 1 1 86 86 ALA C C 585 177.355 177.355 175.273 2.082 18466 4880 1 7 . 1 1 86 86 ALA CA C 585 54.149 54.149 51.900 2.249 18466 4881 1 7 . 1 1 86 86 ALA CB C 585 19.671 19.671 21.218 -1.547 18466 4882 1 7 . 1 1 86 86 ALA H H 585 8.295 8.295 7.870 0.425 18466 4883 1 7 . 1 1 87 87 LEU N N 586 118.525 118.525 119.031 -0.506 18466 4884 1 7 . 1 1 87 87 LEU HA H 586 4.713 4.713 5.133 -0.420 18466 4885 1 7 . 1 1 87 87 LEU C C 586 175.568 175.568 175.058 0.510 18466 4886 1 7 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.348 1.816 18466 4887 1 7 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.626 -1.931 18466 4888 1 7 . 1 1 87 87 LEU H H 586 7.804 7.804 7.762 0.042 18466 4889 1 7 . 1 1 88 88 VAL N N 587 128.017 128.017 124.564 3.453 18466 4890 1 7 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.479 -0.176 18466 4891 1 7 . 1 1 88 88 VAL C C 587 174.137 174.137 173.944 0.193 18466 4892 1 7 . 1 1 88 88 VAL CA C 587 61.394 61.394 59.982 1.412 18466 4893 1 7 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.544 0.171 18466 4894 1 7 . 1 1 88 88 VAL H H 587 9.514 9.514 9.213 0.301 18466 4895 1 7 . 1 1 89 89 ARG N N 588 125.361 125.361 127.392 -2.031 18466 4896 1 7 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.488 0.776 18466 4897 1 7 . 1 1 89 89 ARG C C 588 174.993 174.993 175.070 -0.077 18466 4898 1 7 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.174 -0.407 18466 4899 1 7 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.243 -0.109 18466 4900 1 7 . 1 1 89 89 ARG H H 588 8.616 8.616 8.526 0.090 18466 4901 1 7 . 1 1 90 90 LEU N N 589 128.011 128.011 126.986 1.025 18466 4902 1 7 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.745 -0.177 18466 4903 1 7 . 1 1 90 90 LEU C C 589 174.937 174.937 175.140 -0.203 18466 4904 1 7 . 1 1 90 90 LEU CA C 589 53.169 53.169 52.669 0.500 18466 4905 1 7 . 1 1 90 90 LEU CB C 589 46.013 46.013 44.967 1.046 18466 4906 1 7 . 1 1 90 90 LEU H H 589 8.814 8.814 7.978 0.836 18466 4907 1 7 . 1 1 91 91 LYS N N 590 129.467 129.467 125.646 3.821 18466 4908 1 7 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.825 -0.797 18466 4909 1 7 . 1 1 91 91 LYS C C 590 174.523 174.523 176.312 -1.789 18466 4910 1 7 . 1 1 91 91 LYS CA C 590 58.450 58.450 55.481 2.969 18466 4911 1 7 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.550 -1.152 18466 4912 1 7 . 1 1 91 91 LYS H H 590 9.414 9.414 8.665 0.749 18466 4913 1 7 . 1 1 92 92 SER N N 591 121.877 121.877 116.750 5.127 18466 4914 1 7 . 1 1 92 92 SER HA H 591 5.622 5.622 5.028 0.594 18466 4915 1 7 . 1 1 92 92 SER C C 591 178.072 178.072 176.619 1.453 18466 4916 1 7 . 1 1 92 92 SER CA C 591 58.281 58.281 56.717 1.564 18466 4917 1 7 . 1 1 92 92 SER CB C 591 67.446 67.446 65.798 1.648 18466 4918 1 7 . 1 1 92 92 SER H H 591 7.965 7.965 8.891 -0.926 18466 4919 1 7 . 1 1 93 93 LEU N N 592 121.378 121.378 120.301 1.077 18466 4920 1 7 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.247 0.056 18466 4921 1 7 . 1 1 93 93 LEU C C 592 178.509 178.509 178.403 0.106 18466 4922 1 7 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.047 0.217 18466 4923 1 7 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.394 -0.003 18466 4924 1 7 . 1 1 93 93 LEU H H 592 9.327 9.327 8.685 0.642 18466 4925 1 7 . 1 1 94 94 GLN N N 593 119.354 119.354 118.810 0.544 18466 4926 1 7 . 1 1 94 94 GLN C C 593 176.197 176.197 177.119 -0.922 18466 4927 1 7 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.510 -1.012 18466 4928 1 7 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.543 -2.264 18466 4929 1 7 . 1 1 94 94 GLN H H 593 7.526 7.526 7.735 -0.209 18466 4930 1 7 . 1 1 95 95 GLY N N 594 109.497 109.497 106.481 3.016 18466 4931 1 7 . 1 1 95 95 GLY C C 594 174.379 174.379 174.592 -0.213 18466 4932 1 7 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.840 0.628 18466 4933 1 7 . 1 1 95 95 GLY H H 594 7.632 7.632 7.763 -0.131 18466 4934 1 7 . 1 1 96 96 ASP N N 595 121.403 121.403 122.063 -0.660 18466 4935 1 7 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.762 0.138 18466 4936 1 7 . 1 1 96 96 ASP C C 595 177.399 177.399 174.942 2.457 18466 4937 1 7 . 1 1 96 96 ASP CA C 595 54.569 54.569 54.476 0.093 18466 4938 1 7 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.289 -0.998 18466 4939 1 7 . 1 1 96 96 ASP H H 595 8.835 8.835 8.266 0.569 18466 4940 1 7 . 1 1 97 97 LYS N N 596 119.362 119.362 118.961 0.401 18466 4941 1 7 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.885 0.159 18466 4942 1 7 . 1 1 97 97 LYS C C 596 176.620 176.620 176.369 0.251 18466 4943 1 7 . 1 1 97 97 LYS CA C 596 56.128 56.128 55.355 0.773 18466 4944 1 7 . 1 1 97 97 LYS CB C 596 33.880 33.880 33.950 -0.070 18466 4945 1 7 . 1 1 97 97 LYS H H 596 9.018 9.018 8.340 0.678 18466 4946 1 7 . 1 1 98 98 LEU N N 597 125.543 125.543 124.021 1.522 18466 4947 1 7 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.239 0.115 18466 4948 1 7 . 1 1 98 98 LEU C C 597 176.218 176.218 176.222 -0.004 18466 4949 1 7 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.992 -0.055 18466 4950 1 7 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.501 2.613 18466 4951 1 7 . 1 1 98 98 LEU H H 597 9.304 9.304 9.000 0.304 18466 4952 1 7 . 1 1 99 99 GLU N N 598 121.122 121.122 126.993 -5.871 18466 4953 1 7 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.335 0.303 18466 4954 1 7 . 1 1 99 99 GLU C C 598 175.099 175.099 175.314 -0.215 18466 4955 1 7 . 1 1 99 99 GLU CA C 598 55.729 55.729 55.793 -0.064 18466 4956 1 7 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.583 0.971 18466 4957 1 7 . 1 1 99 99 GLU H H 598 8.314 8.314 9.035 -0.721 18466 4958 1 7 . 1 1 100 100 VAL N N 599 130.705 130.705 127.461 3.244 18466 4959 1 7 . 1 1 100 100 VAL HA H 599 5.043 5.043 5.079 -0.036 18466 4960 1 7 . 1 1 100 100 VAL C C 599 173.758 173.758 175.010 -1.252 18466 4961 1 7 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.960 -0.854 18466 4962 1 7 . 1 1 100 100 VAL CB C 599 32.772 32.772 33.249 -0.477 18466 4963 1 7 . 1 1 100 100 VAL H H 599 9.330 9.330 7.913 1.417 18466 4964 1 7 . 1 1 101 101 SER N N 600 119.932 119.932 120.517 -0.585 18466 4965 1 7 . 1 1 101 101 SER HA H 600 4.942 4.942 5.051 -0.109 18466 4966 1 7 . 1 1 101 101 SER C C 600 171.934 171.934 171.909 0.025 18466 4967 1 7 . 1 1 101 101 SER CA C 600 56.624 56.624 56.838 -0.214 18466 4968 1 7 . 1 1 101 101 SER CB C 600 67.420 67.420 66.449 0.971 18466 4969 1 7 . 1 1 101 101 SER H H 600 9.016 9.016 9.163 -0.147 18466 4970 1 7 . 1 1 102 102 LEU N N 601 122.984 122.984 124.051 -1.067 18466 4971 1 7 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.050 -0.003 18466 4972 1 7 . 1 1 102 102 LEU C C 601 175.753 175.753 174.414 1.339 18466 4973 1 7 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.556 -0.263 18466 4974 1 7 . 1 1 102 102 LEU CB C 601 45.099 45.099 45.228 -0.129 18466 4975 1 7 . 1 1 102 102 LEU H H 601 7.919 7.919 8.797 -0.878 18466 4976 1 7 . 1 1 103 103 LYS N N 602 126.471 126.471 126.478 -0.007 18466 4977 1 7 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.629 -0.174 18466 4978 1 7 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.556 0.142 18466 4979 1 7 . 1 1 103 103 LYS CB C 602 35.012 35.012 33.757 1.255 18466 4980 1 7 . 1 1 103 103 LYS H H 602 8.335 8.335 8.854 -0.519 18466 4981 1 7 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.408 -0.115 18466 4982 1 7 . 1 1 104 104 ASN C C 603 174.155 174.155 174.481 -0.326 18466 4983 1 7 . 1 1 104 104 ASN CA C 603 54.747 54.747 53.939 0.808 18466 4984 1 7 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.299 -0.123 18466 4985 1 7 . 1 1 105 105 ASN N N 604 108.810 108.810 109.818 -1.008 18466 4986 1 7 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.308 -0.141 18466 4987 1 7 . 1 1 105 105 ASN C C 604 173.758 173.758 173.846 -0.088 18466 4988 1 7 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.905 0.270 18466 4989 1 7 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.203 0.004 18466 4990 1 7 . 1 1 105 105 ASN H H 604 8.680 8.680 8.513 0.167 18466 4991 1 7 . 1 1 106 106 VAL N N 605 121.572 121.572 120.657 0.915 18466 4992 1 7 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.185 0.103 18466 4993 1 7 . 1 1 106 106 VAL C C 605 176.336 176.336 175.370 0.966 18466 4994 1 7 . 1 1 106 106 VAL CA C 605 62.139 62.139 61.712 0.427 18466 4995 1 7 . 1 1 106 106 VAL CB C 605 34.436 34.436 32.734 1.702 18466 4996 1 7 . 1 1 106 106 VAL H H 605 7.908 7.908 7.819 0.089 18466 4997 1 7 . 1 1 107 107 VAL N N 606 133.223 133.223 129.347 3.876 18466 4998 1 7 . 1 1 107 107 VAL HA H 606 4.627 4.627 4.751 -0.124 18466 4999 1 7 . 1 1 107 107 VAL C C 606 174.704 174.704 176.129 -1.425 18466 5000 1 7 . 1 1 107 107 VAL CA C 606 61.787 61.787 62.050 -0.263 18466 5001 1 7 . 1 1 107 107 VAL CB C 606 32.211 32.211 31.732 0.479 18466 5002 1 7 . 1 1 107 107 VAL H H 606 9.418 9.418 8.772 0.646 18466 5003 1 7 . 1 1 108 108 SER N N 607 120.743 120.743 121.987 -1.244 18466 5004 1 7 . 1 1 108 108 SER HA H 607 5.365 5.365 5.232 0.133 18466 5005 1 7 . 1 1 108 108 SER C C 607 171.934 171.934 172.239 -0.305 18466 5006 1 7 . 1 1 108 108 SER CA C 607 56.958 56.958 57.025 -0.067 18466 5007 1 7 . 1 1 108 108 SER CB C 607 66.469 66.469 66.984 -0.515 18466 5008 1 7 . 1 1 108 108 SER H H 607 9.123 9.123 9.042 0.081 18466 5009 1 7 . 1 1 109 109 VAL N N 608 121.138 121.138 122.250 -1.112 18466 5010 1 7 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.776 0.004 18466 5011 1 7 . 1 1 109 109 VAL C C 608 173.903 173.903 175.124 -1.221 18466 5012 1 7 . 1 1 109 109 VAL CA C 608 57.399 57.399 60.045 -2.646 18466 5013 1 7 . 1 1 109 109 VAL CB C 608 33.962 33.962 34.040 -0.078 18466 5014 1 7 . 1 1 109 109 VAL H H 608 9.144 9.144 8.913 0.231 18466 5015 1 7 . 1 1 110 110 ASN N N 609 128.266 128.266 129.664 -1.398 18466 5016 1 7 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.302 -0.037 18466 5017 1 7 . 1 1 110 110 ASN C C 609 175.296 175.296 174.801 0.495 18466 5018 1 7 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.419 -0.411 18466 5019 1 7 . 1 1 110 110 ASN CB C 609 35.921 35.921 37.289 -1.368 18466 5020 1 7 . 1 1 110 110 ASN H H 609 9.783 9.783 9.430 0.353 18466 5021 1 7 . 1 1 111 111 LYS N N 610 107.513 107.513 110.319 -2.806 18466 5022 1 7 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.904 -0.256 18466 5023 1 7 . 1 1 111 111 LYS C C 610 175.617 175.617 175.739 -0.122 18466 5024 1 7 . 1 1 111 111 LYS CA C 610 58.403 58.403 57.797 0.606 18466 5025 1 7 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.347 -0.826 18466 5026 1 7 . 1 1 111 111 LYS H H 610 8.302 8.302 8.479 -0.177 18466 5027 1 7 . 1 1 112 112 GLU N N 611 125.401 125.401 120.579 4.822 18466 5028 1 7 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.762 0.037 18466 5029 1 7 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.366 -0.460 18466 5030 1 7 . 1 1 112 112 GLU H H 611 8.565 8.565 7.593 0.972 18466 5031 1 7 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.661 0.025 18466 5032 1 7 . 1 1 113 113 PRO C C 612 177.464 177.464 176.326 1.138 18466 5033 1 7 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.658 0.005 18466 5034 1 7 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.399 -0.248 18466 5035 1 7 . 1 1 114 114 VAL N N 613 124.842 124.842 121.913 2.929 18466 5036 1 7 . 1 1 114 114 VAL HA H 613 4.284 4.284 4.137 0.147 18466 5037 1 7 . 1 1 114 114 VAL C C 613 176.520 176.520 175.999 0.521 18466 5038 1 7 . 1 1 114 114 VAL CA C 613 62.290 62.290 61.953 0.337 18466 5039 1 7 . 1 1 114 114 VAL CB C 613 32.203 32.203 32.596 -0.394 18466 5040 1 7 . 1 1 114 114 VAL H H 613 9.226 9.226 8.283 0.943 18466 5041 1 7 . 1 1 115 115 ALA N N 614 132.511 132.511 131.497 1.014 18466 5042 1 7 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.390 -0.053 18466 5043 1 7 . 1 1 115 115 ALA C C 614 178.395 178.395 177.117 1.278 18466 5044 1 7 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.365 0.657 18466 5045 1 7 . 1 1 115 115 ALA CB C 614 19.663 19.663 19.886 -0.223 18466 5046 1 7 . 1 1 115 115 ALA H H 614 8.910 8.910 8.969 -0.059 18466 5047 1 7 . 1 1 116 116 GLU N N 615 115.091 115.091 117.034 -1.943 18466 5048 1 7 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.785 0.088 18466 5049 1 7 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.678 -0.190 18466 5050 1 7 . 1 1 116 116 GLU H H 615 6.869 6.869 7.843 -0.974 18466 5051 1 7 . 1 1 117 117 PRO HA H 616 5.644 5.644 4.935 0.709 18466 5052 1 7 . 1 1 117 117 PRO C C 616 177.124 177.124 175.956 1.168 18466 5053 1 7 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.335 -0.297 18466 5054 1 7 . 1 1 117 117 PRO CB C 616 33.662 33.662 33.244 0.418 18466 5055 1 7 . 1 1 118 118 ASP N N 617 114.361 114.361 115.026 -0.665 18466 5056 1 7 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.102 -0.217 18466 5057 1 7 . 1 1 118 118 ASP C C 617 174.982 174.982 175.032 -0.050 18466 5058 1 7 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.165 -0.290 18466 5059 1 7 . 1 1 118 118 ASP CB C 617 37.661 37.661 39.823 -2.162 18466 5060 1 7 . 1 1 118 118 ASP H H 617 9.745 9.745 7.746 1.999 18466 5061 1 7 . 1 1 119 119 ILE N N 618 121.057 121.057 121.600 -0.543 18466 5062 1 7 . 1 1 119 119 ILE HA H 618 4.039 4.039 3.943 0.096 18466 5063 1 7 . 1 1 119 119 ILE C C 618 175.857 175.857 175.405 0.452 18466 5064 1 7 . 1 1 119 119 ILE CA C 618 62.841 62.841 61.836 1.005 18466 5065 1 7 . 1 1 119 119 ILE CB C 618 36.496 36.496 37.938 -1.442 18466 5066 1 7 . 1 1 119 119 ILE H H 618 8.754 8.754 7.667 1.087 18466 5067 1 7 . 1 1 120 120 MET N N 619 125.664 125.664 127.680 -2.016 18466 5068 1 7 . 1 1 120 120 MET HA H 619 4.604 4.604 4.436 0.168 18466 5069 1 7 . 1 1 120 120 MET C C 619 174.825 174.825 175.170 -0.345 18466 5070 1 7 . 1 1 120 120 MET CA C 619 55.006 55.006 54.646 0.360 18466 5071 1 7 . 1 1 120 120 MET CB C 619 31.457 31.457 30.911 0.546 18466 5072 1 7 . 1 1 120 120 MET H H 619 8.077 8.077 8.628 -0.551 18466 5073 1 7 . 1 1 121 121 ALA N N 620 122.929 122.929 127.360 -4.431 18466 5074 1 7 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.836 0.059 18466 5075 1 7 . 1 1 121 121 ALA C C 620 177.945 177.945 177.579 0.366 18466 5076 1 7 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.709 -0.686 18466 5077 1 7 . 1 1 121 121 ALA CB C 620 23.030 23.030 22.431 0.599 18466 5078 1 7 . 1 1 121 121 ALA H H 620 8.386 8.386 8.272 0.114 18466 5079 1 7 . 1 1 122 122 THR N N 621 111.051 111.051 115.068 -4.017 18466 5080 1 7 . 1 1 122 122 THR HA H 621 4.046 4.046 4.141 -0.095 18466 5081 1 7 . 1 1 122 122 THR C C 621 176.366 176.366 174.817 1.549 18466 5082 1 7 . 1 1 122 122 THR CA C 621 64.526 64.526 64.770 -0.244 18466 5083 1 7 . 1 1 122 122 THR CB C 621 68.423 68.423 69.163 -0.741 18466 5084 1 7 . 1 1 122 122 THR H H 621 9.176 9.176 8.371 0.805 18466 5085 1 7 . 1 1 123 123 ASN N N 622 117.402 117.402 117.416 -0.014 18466 5086 1 7 . 1 1 123 123 ASN HA H 622 5.034 5.034 4.976 0.058 18466 5087 1 7 . 1 1 123 123 ASN C C 622 173.258 173.258 174.327 -1.069 18466 5088 1 7 . 1 1 123 123 ASN CA C 622 51.163 51.163 51.837 -0.674 18466 5089 1 7 . 1 1 123 123 ASN CB C 622 37.038 37.038 38.655 -1.617 18466 5090 1 7 . 1 1 123 123 ASN H H 622 7.970 7.970 8.306 -0.336 18466 5091 1 7 . 1 1 124 124 GLY N N 623 102.697 102.697 105.940 -3.243 18466 5092 1 7 . 1 1 124 124 GLY C C 623 169.960 169.960 171.500 -1.540 18466 5093 1 7 . 1 1 124 124 GLY CA C 623 46.700 46.700 45.201 1.499 18466 5094 1 7 . 1 1 124 124 GLY H H 623 6.916 6.916 7.473 -0.557 18466 5095 1 7 . 1 1 125 125 VAL N N 624 120.074 120.074 118.529 1.545 18466 5096 1 7 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.129 -0.247 18466 5097 1 7 . 1 1 125 125 VAL C C 624 170.860 170.860 173.424 -2.564 18466 5098 1 7 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.552 0.045 18466 5099 1 7 . 1 1 125 125 VAL CB C 624 34.915 34.915 35.740 -0.825 18466 5100 1 7 . 1 1 125 125 VAL H H 624 8.474 8.474 8.633 -0.159 18466 5101 1 7 . 1 1 126 126 VAL N N 625 127.537 127.537 124.133 3.404 18466 5102 1 7 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.644 -0.003 18466 5103 1 7 . 1 1 126 126 VAL C C 625 172.913 172.913 173.931 -1.018 18466 5104 1 7 . 1 1 126 126 VAL CA C 625 60.474 60.474 60.667 -0.193 18466 5105 1 7 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.580 -0.442 18466 5106 1 7 . 1 1 126 126 VAL H H 625 9.093 9.093 8.314 0.779 18466 5107 1 7 . 1 1 127 127 HIS N N 626 124.236 124.236 125.681 -1.445 18466 5108 1 7 . 1 1 127 127 HIS HA H 626 5.499 5.499 5.013 0.486 18466 5109 1 7 . 1 1 127 127 HIS C C 626 175.690 175.690 174.851 0.839 18466 5110 1 7 . 1 1 127 127 HIS CA C 626 53.204 53.204 54.234 -1.030 18466 5111 1 7 . 1 1 127 127 HIS CB C 626 34.315 34.315 31.399 2.916 18466 5112 1 7 . 1 1 127 127 HIS H H 626 8.732 8.732 8.951 -0.219 18466 5113 1 7 . 1 1 128 128 VAL N N 627 124.683 124.683 126.641 -1.958 18466 5114 1 7 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.109 0.384 18466 5115 1 7 . 1 1 128 128 VAL C C 627 176.380 176.380 175.861 0.519 18466 5116 1 7 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.904 0.854 18466 5117 1 7 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.398 1.490 18466 5118 1 7 . 1 1 128 128 VAL H H 627 8.827 8.827 8.757 0.070 18466 5119 1 7 . 1 1 129 129 ILE N N 628 121.094 121.094 120.737 0.357 18466 5120 1 7 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.908 0.235 18466 5121 1 7 . 1 1 129 129 ILE C C 628 175.099 175.099 176.773 -1.674 18466 5122 1 7 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.408 0.847 18466 5123 1 7 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.807 0.806 18466 5124 1 7 . 1 1 129 129 ILE H H 628 8.650 8.650 8.764 -0.114 18466 5125 1 7 . 1 1 130 130 THR N N 629 108.406 108.406 114.009 -5.603 18466 5126 1 7 . 1 1 130 130 THR HA H 629 4.666 4.666 4.548 0.118 18466 5127 1 7 . 1 1 130 130 THR C C 629 173.079 173.079 174.149 -1.070 18466 5128 1 7 . 1 1 130 130 THR CA C 629 61.373 61.373 61.887 -0.514 18466 5129 1 7 . 1 1 130 130 THR CB C 629 68.776 68.776 69.662 -0.886 18466 5130 1 7 . 1 1 130 130 THR H H 629 9.359 9.359 8.662 0.697 18466 5131 1 7 . 1 1 131 131 ASN N N 630 117.726 117.726 118.714 -0.988 18466 5132 1 7 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.975 -0.155 18466 5133 1 7 . 1 1 131 131 ASN C C 630 172.152 172.152 173.938 -1.786 18466 5134 1 7 . 1 1 131 131 ASN CA C 630 52.538 52.538 52.208 0.330 18466 5135 1 7 . 1 1 131 131 ASN CB C 630 43.071 43.071 41.431 1.640 18466 5136 1 7 . 1 1 131 131 ASN H H 630 7.404 7.404 7.801 -0.397 18466 5137 1 7 . 1 1 132 132 VAL N N 631 118.213 118.213 120.768 -2.555 18466 5138 1 7 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.187 -0.199 18466 5139 1 7 . 1 1 132 132 VAL C C 631 176.686 176.686 175.456 1.230 18466 5140 1 7 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.743 0.615 18466 5141 1 7 . 1 1 132 132 VAL CB C 631 32.611 32.611 31.603 1.008 18466 5142 1 7 . 1 1 132 132 VAL H H 631 8.137 8.137 8.344 -0.207 18466 5143 1 7 . 1 1 133 133 LEU N N 632 132.179 132.179 129.621 2.558 18466 5144 1 7 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.299 -0.090 18466 5145 1 7 . 1 1 133 133 LEU C C 632 175.569 175.569 175.752 -0.183 18466 5146 1 7 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.520 0.695 18466 5147 1 7 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.353 0.119 18466 5148 1 7 . 1 1 133 133 LEU H H 632 10.917 10.917 8.494 2.423 18466 5149 1 7 . 1 1 134 134 GLN N N 633 115.538 115.538 124.527 -8.989 18466 5150 1 7 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.636 0.145 18466 5151 1 7 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.416 -0.024 18466 5152 1 7 . 1 1 134 134 GLN H H 633 7.765 7.765 8.294 -0.529 18466 5153 1 8 . 1 1 3 3 MET C C 502 175.880 175.880 175.201 0.679 18466 5154 1 8 . 1 1 3 3 MET CA C 502 55.950 55.950 55.421 0.529 18466 5155 1 8 . 1 1 3 3 MET CB C 502 34.203 34.203 32.912 1.291 18466 5156 1 8 . 1 1 4 4 GLY N N 503 111.090 111.090 109.182 1.908 18466 5157 1 8 . 1 1 4 4 GLY C C 503 174.009 174.009 173.691 0.318 18466 5158 1 8 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.608 -0.131 18466 5159 1 8 . 1 1 4 4 GLY H H 503 8.375 8.375 8.464 -0.089 18466 5160 1 8 . 1 1 5 5 THR N N 504 111.543 111.543 116.577 -5.034 18466 5161 1 8 . 1 1 5 5 THR HA H 504 4.437 4.437 4.892 -0.455 18466 5162 1 8 . 1 1 5 5 THR C C 504 176.361 176.361 176.563 -0.202 18466 5163 1 8 . 1 1 5 5 THR CA C 504 61.972 61.972 60.322 1.649 18466 5164 1 8 . 1 1 5 5 THR CB C 504 73.041 73.041 70.854 2.187 18466 5165 1 8 . 1 1 5 5 THR H H 504 9.227 9.227 8.208 1.019 18466 5166 1 8 . 1 1 6 6 VAL N N 505 118.236 118.236 116.550 1.686 18466 5167 1 8 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.706 -0.453 18466 5168 1 8 . 1 1 6 6 VAL C C 505 177.287 177.287 177.774 -0.487 18466 5169 1 8 . 1 1 6 6 VAL CA C 505 67.124 67.124 65.973 1.151 18466 5170 1 8 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.291 0.206 18466 5171 1 8 . 1 1 6 6 VAL H H 505 9.896 9.896 8.848 1.048 18466 5172 1 8 . 1 1 7 7 MET N N 506 114.146 114.146 118.058 -3.912 18466 5173 1 8 . 1 1 7 7 MET HA H 506 4.358 4.358 4.171 0.187 18466 5174 1 8 . 1 1 7 7 MET C C 506 178.126 178.126 178.387 -0.261 18466 5175 1 8 . 1 1 7 7 MET CA C 506 56.050 56.050 56.755 -0.705 18466 5176 1 8 . 1 1 7 7 MET CB C 506 30.608 30.608 30.726 -0.118 18466 5177 1 8 . 1 1 7 7 MET H H 506 6.970 6.970 8.247 -1.277 18466 5178 1 8 . 1 1 8 8 ASP N N 507 120.413 120.413 120.526 -0.113 18466 5179 1 8 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.451 -0.198 18466 5180 1 8 . 1 1 8 8 ASP C C 507 179.824 179.824 178.627 1.197 18466 5181 1 8 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.451 0.696 18466 5182 1 8 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.949 -0.471 18466 5183 1 8 . 1 1 8 8 ASP H H 507 7.433 7.433 7.558 -0.125 18466 5184 1 8 . 1 1 9 9 VAL N N 508 121.366 121.366 120.331 1.035 18466 5185 1 8 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.697 -0.132 18466 5186 1 8 . 1 1 9 9 VAL C C 508 179.112 179.112 178.182 0.930 18466 5187 1 8 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.585 -0.437 18466 5188 1 8 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.787 -0.217 18466 5189 1 8 . 1 1 9 9 VAL H H 508 8.157 8.157 8.147 0.010 18466 5190 1 8 . 1 1 10 10 LEU N N 509 117.252 117.252 117.494 -0.242 18466 5191 1 8 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.322 -0.300 18466 5192 1 8 . 1 1 10 10 LEU C C 509 179.092 179.092 178.481 0.611 18466 5193 1 8 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.739 -0.395 18466 5194 1 8 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.430 0.492 18466 5195 1 8 . 1 1 10 10 LEU H H 509 7.859 7.859 8.184 -0.325 18466 5196 1 8 . 1 1 11 11 LYS N N 510 114.815 114.815 116.143 -1.328 18466 5197 1 8 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.357 -0.403 18466 5198 1 8 . 1 1 11 11 LYS C C 510 178.026 178.026 178.204 -0.178 18466 5199 1 8 . 1 1 11 11 LYS CA C 510 59.144 59.144 57.680 1.464 18466 5200 1 8 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.331 0.366 18466 5201 1 8 . 1 1 11 11 LYS H H 510 8.376 8.376 7.544 0.832 18466 5202 1 8 . 1 1 12 12 GLY N N 511 104.635 104.635 108.168 -3.533 18466 5203 1 8 . 1 1 12 12 GLY C C 511 172.558 172.558 173.441 -0.883 18466 5204 1 8 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.898 0.607 18466 5205 1 8 . 1 1 12 12 GLY H H 511 7.593 7.593 7.802 -0.209 18466 5206 1 8 . 1 1 13 13 ASP N N 512 120.111 120.111 118.878 1.233 18466 5207 1 8 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.670 0.325 18466 5208 1 8 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.393 0.190 18466 5209 1 8 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.044 0.913 18466 5210 1 8 . 1 1 13 13 ASP H H 512 7.065 7.065 7.189 -0.124 18466 5211 1 8 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.367 0.081 18466 5212 1 8 . 1 1 14 14 ASN C C 513 176.736 176.736 176.757 -0.021 18466 5213 1 8 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.774 0.118 18466 5214 1 8 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.804 -0.719 18466 5215 1 8 . 1 1 15 15 ARG N N 514 118.917 118.917 119.128 -0.211 18466 5216 1 8 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.363 -0.194 18466 5217 1 8 . 1 1 15 15 ARG C C 514 176.145 176.145 179.429 -3.284 18466 5218 1 8 . 1 1 15 15 ARG CA C 514 58.062 58.062 58.894 -0.832 18466 5219 1 8 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.219 0.447 18466 5220 1 8 . 1 1 15 15 ARG H H 514 8.581 8.581 7.896 0.685 18466 5221 1 8 . 1 1 16 16 PHE N N 515 113.226 113.226 118.513 -5.287 18466 5222 1 8 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.705 1.074 18466 5223 1 8 . 1 1 16 16 PHE C C 515 176.587 176.587 177.909 -1.322 18466 5224 1 8 . 1 1 16 16 PHE CA C 515 56.064 56.064 57.049 -0.985 18466 5225 1 8 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.586 0.985 18466 5226 1 8 . 1 1 16 16 PHE H H 515 7.600 7.600 8.816 -1.216 18466 5227 1 8 . 1 1 17 17 SER N N 516 116.620 116.620 116.513 0.107 18466 5228 1 8 . 1 1 17 17 SER HA H 516 4.049 4.049 4.185 -0.136 18466 5229 1 8 . 1 1 17 17 SER C C 516 178.564 178.564 176.237 2.327 18466 5230 1 8 . 1 1 17 17 SER CA C 516 62.683 62.683 62.124 0.559 18466 5231 1 8 . 1 1 17 17 SER CB C 516 62.150 62.150 62.628 -0.478 18466 5232 1 8 . 1 1 17 17 SER H H 516 7.532 7.532 7.821 -0.289 18466 5233 1 8 . 1 1 18 18 MET N N 517 124.356 124.356 119.732 4.624 18466 5234 1 8 . 1 1 18 18 MET HA H 517 3.991 3.991 4.116 -0.125 18466 5235 1 8 . 1 1 18 18 MET C C 517 178.066 178.066 177.739 0.327 18466 5236 1 8 . 1 1 18 18 MET CA C 517 59.462 59.462 58.514 0.948 18466 5237 1 8 . 1 1 18 18 MET CB C 517 31.596 31.596 32.402 -0.806 18466 5238 1 8 . 1 1 18 18 MET H H 517 9.291 9.291 7.478 1.813 18466 5239 1 8 . 1 1 19 19 LEU N N 518 123.835 123.835 121.269 2.566 18466 5240 1 8 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.070 -0.149 18466 5241 1 8 . 1 1 19 19 LEU C C 518 178.217 178.217 178.328 -0.111 18466 5242 1 8 . 1 1 19 19 LEU CA C 518 58.140 58.140 58.145 -0.006 18466 5243 1 8 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.506 -0.174 18466 5244 1 8 . 1 1 19 19 LEU H H 518 8.615 8.615 7.703 0.912 18466 5245 1 8 . 1 1 20 20 VAL N N 519 118.876 118.876 118.987 -0.111 18466 5246 1 8 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.612 -0.307 18466 5247 1 8 . 1 1 20 20 VAL C C 519 178.174 178.174 178.161 0.013 18466 5248 1 8 . 1 1 20 20 VAL CA C 519 67.850 67.850 66.265 1.585 18466 5249 1 8 . 1 1 20 20 VAL CB C 519 31.701 31.701 30.350 1.351 18466 5250 1 8 . 1 1 20 20 VAL H H 519 9.059 9.059 8.264 0.795 18466 5251 1 8 . 1 1 21 21 ALA N N 520 122.184 122.184 122.466 -0.282 18466 5252 1 8 . 1 1 21 21 ALA HA H 520 4.156 4.156 3.980 0.176 18466 5253 1 8 . 1 1 21 21 ALA C C 520 180.310 180.310 179.120 1.190 18466 5254 1 8 . 1 1 21 21 ALA CA C 520 55.066 55.066 54.959 0.107 18466 5255 1 8 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.876 -0.070 18466 5256 1 8 . 1 1 21 21 ALA H H 520 7.482 7.482 7.554 -0.072 18466 5257 1 8 . 1 1 22 22 ALA N N 521 123.379 123.379 121.958 1.421 18466 5258 1 8 . 1 1 22 22 ALA HA H 521 4.102 4.102 3.911 0.191 18466 5259 1 8 . 1 1 22 22 ALA C C 521 178.705 178.705 179.476 -0.771 18466 5260 1 8 . 1 1 22 22 ALA CA C 521 54.908 54.908 55.051 -0.143 18466 5261 1 8 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.558 -0.687 18466 5262 1 8 . 1 1 22 22 ALA H H 521 8.286 8.286 7.757 0.529 18466 5263 1 8 . 1 1 23 23 ILE N N 522 120.263 120.263 119.086 1.177 18466 5264 1 8 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.532 -0.228 18466 5265 1 8 . 1 1 23 23 ILE C C 522 178.025 178.025 177.986 0.039 18466 5266 1 8 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.455 0.524 18466 5267 1 8 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.637 0.730 18466 5268 1 8 . 1 1 23 23 ILE H H 522 8.900 8.900 8.627 0.273 18466 5269 1 8 . 1 1 24 24 GLN N N 523 118.959 118.959 120.027 -1.068 18466 5270 1 8 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.012 0.176 18466 5271 1 8 . 1 1 24 24 GLN C C 523 180.253 180.253 178.433 1.820 18466 5272 1 8 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.747 -0.154 18466 5273 1 8 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.680 -1.048 18466 5274 1 8 . 1 1 24 24 GLN H H 523 7.898 7.898 8.238 -0.340 18466 5275 1 8 . 1 1 25 25 SER N N 524 118.150 118.150 114.321 3.829 18466 5276 1 8 . 1 1 25 25 SER HA H 524 4.188 4.188 4.297 -0.109 18466 5277 1 8 . 1 1 25 25 SER C C 524 175.635 175.635 175.794 -0.159 18466 5278 1 8 . 1 1 25 25 SER CA C 524 61.732 61.732 60.503 1.229 18466 5279 1 8 . 1 1 25 25 SER CB C 524 63.140 63.140 63.314 -0.174 18466 5280 1 8 . 1 1 25 25 SER H H 524 8.405 8.405 7.881 0.524 18466 5281 1 8 . 1 1 26 26 ALA N N 525 119.360 119.360 121.888 -2.528 18466 5282 1 8 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.432 -0.064 18466 5283 1 8 . 1 1 26 26 ALA C C 525 176.960 176.960 177.442 -0.482 18466 5284 1 8 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.491 -0.335 18466 5285 1 8 . 1 1 26 26 ALA CB C 525 19.947 19.947 20.066 -0.118 18466 5286 1 8 . 1 1 26 26 ALA H H 525 8.277 8.277 7.855 0.422 18466 5287 1 8 . 1 1 27 27 GLY N N 526 105.968 105.968 107.413 -1.445 18466 5288 1 8 . 1 1 27 27 GLY C C 526 176.602 176.602 174.891 1.711 18466 5289 1 8 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.067 1.408 18466 5290 1 8 . 1 1 27 27 GLY H H 526 7.789 7.789 7.968 -0.179 18466 5291 1 8 . 1 1 28 28 LEU N N 527 118.466 118.466 118.430 0.036 18466 5292 1 8 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.736 -0.283 18466 5293 1 8 . 1 1 28 28 LEU C C 527 175.805 175.805 177.605 -1.800 18466 5294 1 8 . 1 1 28 28 LEU CA C 527 54.816 54.816 54.015 0.801 18466 5295 1 8 . 1 1 28 28 LEU CB C 527 45.181 45.181 41.030 4.151 18466 5296 1 8 . 1 1 28 28 LEU H H 527 8.088 8.088 8.178 -0.090 18466 5297 1 8 . 1 1 29 29 THR N N 528 118.037 118.037 115.294 2.743 18466 5298 1 8 . 1 1 29 29 THR HA H 528 3.539 3.539 3.967 -0.428 18466 5299 1 8 . 1 1 29 29 THR C C 528 175.526 175.526 175.938 -0.412 18466 5300 1 8 . 1 1 29 29 THR CA C 528 66.828 66.828 65.976 0.852 18466 5301 1 8 . 1 1 29 29 THR CB C 528 68.754 68.754 68.525 0.230 18466 5302 1 8 . 1 1 29 29 THR H H 528 7.593 7.593 8.074 -0.481 18466 5303 1 8 . 1 1 30 30 GLU N N 529 117.711 117.711 120.050 -2.339 18466 5304 1 8 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.057 -0.085 18466 5305 1 8 . 1 1 30 30 GLU C C 529 179.395 179.395 178.008 1.387 18466 5306 1 8 . 1 1 30 30 GLU CA C 529 59.788 59.788 59.265 0.523 18466 5307 1 8 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.797 -0.339 18466 5308 1 8 . 1 1 30 30 GLU H H 529 8.304 8.304 8.574 -0.270 18466 5309 1 8 . 1 1 31 31 THR N N 530 116.155 116.155 115.624 0.531 18466 5310 1 8 . 1 1 31 31 THR HA H 530 3.756 3.756 4.078 -0.322 18466 5311 1 8 . 1 1 31 31 THR C C 530 175.838 175.838 176.032 -0.194 18466 5312 1 8 . 1 1 31 31 THR CA C 530 67.156 67.156 66.232 0.924 18466 5313 1 8 . 1 1 31 31 THR CB C 530 69.159 69.159 68.873 0.286 18466 5314 1 8 . 1 1 31 31 THR H H 530 7.692 7.692 7.451 0.241 18466 5315 1 8 . 1 1 32 32 LEU N N 531 116.655 116.655 118.501 -1.846 18466 5316 1 8 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.064 -0.143 18466 5317 1 8 . 1 1 32 32 LEU C C 531 176.177 176.177 176.510 -0.333 18466 5318 1 8 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.949 0.604 18466 5319 1 8 . 1 1 32 32 LEU CB C 531 41.533 41.533 40.568 0.965 18466 5320 1 8 . 1 1 32 32 LEU H H 531 7.103 7.103 7.272 -0.169 18466 5321 1 8 . 1 1 33 33 ASN N N 532 118.711 118.711 117.142 1.569 18466 5322 1 8 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.544 0.432 18466 5323 1 8 . 1 1 33 33 ASN C C 532 174.819 174.819 175.393 -0.574 18466 5324 1 8 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.851 -1.730 18466 5325 1 8 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.208 1.781 18466 5326 1 8 . 1 1 33 33 ASN H H 532 7.735 7.735 7.353 0.382 18466 5327 1 8 . 1 1 34 34 ARG N N 533 119.777 119.777 120.680 -0.903 18466 5328 1 8 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.340 0.189 18466 5329 1 8 . 1 1 34 34 ARG C C 533 175.340 175.340 175.390 -0.050 18466 5330 1 8 . 1 1 34 34 ARG CA C 533 55.624 55.624 56.193 -0.569 18466 5331 1 8 . 1 1 34 34 ARG CB C 533 32.805 32.805 30.805 2.000 18466 5332 1 8 . 1 1 34 34 ARG H H 533 7.287 7.287 7.425 -0.138 18466 5333 1 8 . 1 1 35 35 GLU N N 534 120.198 120.198 121.958 -1.760 18466 5334 1 8 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.293 -0.058 18466 5335 1 8 . 1 1 35 35 GLU C C 534 176.305 176.305 176.385 -0.080 18466 5336 1 8 . 1 1 35 35 GLU CA C 534 57.738 57.738 57.314 0.424 18466 5337 1 8 . 1 1 35 35 GLU CB C 534 29.694 29.694 29.701 -0.007 18466 5338 1 8 . 1 1 35 35 GLU H H 534 8.517 8.517 8.508 0.009 18466 5339 1 8 . 1 1 36 36 GLY N N 535 111.018 111.018 110.801 0.217 18466 5340 1 8 . 1 1 36 36 GLY C C 535 170.570 170.570 172.218 -1.648 18466 5341 1 8 . 1 1 36 36 GLY CA C 535 44.825 44.825 45.483 -0.659 18466 5342 1 8 . 1 1 36 36 GLY H H 535 7.955 7.955 8.315 -0.360 18466 5343 1 8 . 1 1 37 37 VAL N N 536 114.867 114.867 117.613 -2.746 18466 5344 1 8 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.451 -0.323 18466 5345 1 8 . 1 1 37 37 VAL C C 536 173.020 173.020 173.102 -0.082 18466 5346 1 8 . 1 1 37 37 VAL CA C 536 59.407 59.407 60.600 -1.193 18466 5347 1 8 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.279 0.403 18466 5348 1 8 . 1 1 37 37 VAL H H 536 7.198 7.198 7.746 -0.548 18466 5349 1 8 . 1 1 38 38 TYR N N 537 117.363 117.363 121.644 -4.281 18466 5350 1 8 . 1 1 38 38 TYR HA H 537 5.199 5.199 4.903 0.296 18466 5351 1 8 . 1 1 38 38 TYR C C 537 176.278 176.278 174.778 1.500 18466 5352 1 8 . 1 1 38 38 TYR CA C 537 56.770 56.770 56.910 -0.140 18466 5353 1 8 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.475 0.069 18466 5354 1 8 . 1 1 38 38 TYR H H 537 7.507 7.507 8.247 -0.740 18466 5355 1 8 . 1 1 39 39 THR N N 538 117.120 117.120 119.994 -2.874 18466 5356 1 8 . 1 1 39 39 THR HA H 538 4.781 4.781 4.825 -0.044 18466 5357 1 8 . 1 1 39 39 THR C C 538 173.406 173.406 173.201 0.205 18466 5358 1 8 . 1 1 39 39 THR CA C 538 62.197 62.197 61.949 0.248 18466 5359 1 8 . 1 1 39 39 THR CB C 538 70.922 70.922 69.561 1.361 18466 5360 1 8 . 1 1 39 39 THR H H 538 7.906 7.906 8.794 -0.888 18466 5361 1 8 . 1 1 40 40 VAL N N 539 126.768 126.768 127.191 -0.423 18466 5362 1 8 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.649 -0.046 18466 5363 1 8 . 1 1 40 40 VAL C C 539 174.038 174.038 174.492 -0.454 18466 5364 1 8 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.739 0.429 18466 5365 1 8 . 1 1 40 40 VAL CB C 539 33.995 33.995 32.589 1.406 18466 5366 1 8 . 1 1 40 40 VAL H H 539 9.154 9.154 9.021 0.133 18466 5367 1 8 . 1 1 41 41 PHE N N 540 128.517 128.517 127.380 1.137 18466 5368 1 8 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.034 0.297 18466 5369 1 8 . 1 1 41 41 PHE C C 540 173.429 173.429 175.310 -1.881 18466 5370 1 8 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.714 0.968 18466 5371 1 8 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.557 -1.108 18466 5372 1 8 . 1 1 41 41 PHE H H 540 9.087 9.087 8.954 0.133 18466 5373 1 8 . 1 1 42 42 ALA N N 541 125.981 125.981 129.789 -3.808 18466 5374 1 8 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.728 -0.145 18466 5375 1 8 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.156 -0.160 18466 5376 1 8 . 1 1 42 42 ALA CB C 541 23.007 23.007 18.919 4.088 18466 5377 1 8 . 1 1 42 42 ALA H H 541 8.666 8.666 8.616 0.050 18466 5378 1 8 . 1 1 43 43 PRO HA H 542 5.017 5.017 4.936 0.081 18466 5379 1 8 . 1 1 43 43 PRO C C 542 177.809 177.809 177.288 0.521 18466 5380 1 8 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.356 -1.277 18466 5381 1 8 . 1 1 43 43 PRO CB C 542 31.835 31.835 31.803 0.032 18466 5382 1 8 . 1 1 44 44 THR N N 543 112.053 112.053 116.193 -4.140 18466 5383 1 8 . 1 1 44 44 THR HA H 543 4.464 4.464 4.559 -0.095 18466 5384 1 8 . 1 1 44 44 THR C C 543 176.413 176.413 176.243 0.170 18466 5385 1 8 . 1 1 44 44 THR CA C 543 60.762 60.762 60.380 0.382 18466 5386 1 8 . 1 1 44 44 THR CB C 543 71.542 71.542 70.166 1.376 18466 5387 1 8 . 1 1 44 44 THR H H 543 7.731 7.731 8.442 -0.711 18466 5388 1 8 . 1 1 45 45 ASN N N 544 119.183 119.183 118.496 0.687 18466 5389 1 8 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.594 0.106 18466 5390 1 8 . 1 1 45 45 ASN C C 544 178.324 178.324 177.545 0.779 18466 5391 1 8 . 1 1 45 45 ASN CA C 544 56.306 56.306 57.448 -1.142 18466 5392 1 8 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.384 -1.178 18466 5393 1 8 . 1 1 45 45 ASN H H 544 8.883 8.883 8.838 0.045 18466 5394 1 8 . 1 1 46 46 GLU N N 545 118.549 118.549 118.788 -0.239 18466 5395 1 8 . 1 1 46 46 GLU C C 545 178.200 178.200 177.257 0.943 18466 5396 1 8 . 1 1 46 46 GLU CA C 545 59.936 59.936 58.385 1.551 18466 5397 1 8 . 1 1 46 46 GLU CB C 545 29.347 29.347 29.130 0.217 18466 5398 1 8 . 1 1 46 46 GLU H H 545 8.283 8.283 8.177 0.106 18466 5399 1 8 . 1 1 47 47 ALA N N 546 122.120 122.120 122.337 -0.217 18466 5400 1 8 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.106 -0.062 18466 5401 1 8 . 1 1 47 47 ALA C C 546 180.432 180.432 179.881 0.551 18466 5402 1 8 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.608 0.461 18466 5403 1 8 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.262 1.331 18466 5404 1 8 . 1 1 47 47 ALA H H 546 7.485 7.485 7.450 0.035 18466 5405 1 8 . 1 1 48 48 PHE N N 547 115.213 115.213 116.872 -1.659 18466 5406 1 8 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.363 -0.317 18466 5407 1 8 . 1 1 48 48 PHE C C 547 179.098 179.098 178.101 0.997 18466 5408 1 8 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.116 0.989 18466 5409 1 8 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.566 1.193 18466 5410 1 8 . 1 1 48 48 PHE H H 547 7.363 7.363 7.559 -0.196 18466 5411 1 8 . 1 1 49 49 ARG N N 548 118.451 118.451 119.255 -0.804 18466 5412 1 8 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.198 -0.209 18466 5413 1 8 . 1 1 49 49 ARG C C 548 176.382 176.382 176.817 -0.435 18466 5414 1 8 . 1 1 49 49 ARG CA C 548 58.915 58.915 56.989 1.926 18466 5415 1 8 . 1 1 49 49 ARG CB C 548 30.150 30.150 29.852 0.298 18466 5416 1 8 . 1 1 49 49 ARG H H 548 8.266 8.266 7.735 0.531 18466 5417 1 8 . 1 1 50 50 ALA N N 549 118.978 118.978 120.230 -1.252 18466 5418 1 8 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.353 -0.074 18466 5419 1 8 . 1 1 50 50 ALA C C 549 178.745 178.745 177.831 0.914 18466 5420 1 8 . 1 1 50 50 ALA CA C 549 52.652 52.652 51.749 0.903 18466 5421 1 8 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.193 -0.246 18466 5422 1 8 . 1 1 50 50 ALA H H 549 7.416 7.416 7.369 0.047 18466 5423 1 8 . 1 1 51 51 LEU N N 550 119.842 119.842 122.007 -2.165 18466 5424 1 8 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.486 0.045 18466 5425 1 8 . 1 1 51 51 LEU CA C 550 53.313 53.313 53.015 0.298 18466 5426 1 8 . 1 1 51 51 LEU CB C 550 42.418 42.418 42.115 0.303 18466 5427 1 8 . 1 1 51 51 LEU H H 550 7.138 7.138 7.186 -0.048 18466 5428 1 8 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.714 0.075 18466 5429 1 8 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.547 0.237 18466 5430 1 8 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.657 -0.315 18466 5431 1 8 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.153 -0.038 18466 5432 1 8 . 1 1 53 53 PRO CA C 552 66.346 66.346 65.803 0.543 18466 5433 1 8 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.808 1.575 18466 5434 1 8 . 1 1 54 54 ARG C C 553 179.024 179.024 178.822 0.202 18466 5435 1 8 . 1 1 54 54 ARG CA C 553 59.454 59.454 58.954 0.500 18466 5436 1 8 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.073 0.621 18466 5437 1 8 . 1 1 55 55 GLU N N 554 119.712 119.712 119.481 0.231 18466 5438 1 8 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.108 0.258 18466 5439 1 8 . 1 1 55 55 GLU C C 554 178.437 178.437 178.777 -0.340 18466 5440 1 8 . 1 1 55 55 GLU CA C 554 58.362 58.362 59.411 -1.049 18466 5441 1 8 . 1 1 55 55 GLU CB C 554 29.727 29.727 28.725 1.002 18466 5442 1 8 . 1 1 55 55 GLU H H 554 7.526 7.526 8.730 -1.204 18466 5443 1 8 . 1 1 56 56 ARG N N 555 120.112 120.112 119.263 0.849 18466 5444 1 8 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.086 -0.241 18466 5445 1 8 . 1 1 56 56 ARG C C 555 177.902 177.902 178.602 -0.700 18466 5446 1 8 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.793 0.569 18466 5447 1 8 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.794 0.500 18466 5448 1 8 . 1 1 56 56 ARG H H 555 8.452 8.452 8.767 -0.315 18466 5449 1 8 . 1 1 57 57 SER N N 556 111.829 111.829 116.200 -4.371 18466 5450 1 8 . 1 1 57 57 SER HA H 556 4.138 4.138 4.254 -0.116 18466 5451 1 8 . 1 1 57 57 SER C C 556 177.151 177.151 176.127 1.024 18466 5452 1 8 . 1 1 57 57 SER CA C 556 61.661 61.661 61.965 -0.305 18466 5453 1 8 . 1 1 57 57 SER CB C 556 62.874 62.874 62.716 0.158 18466 5454 1 8 . 1 1 57 57 SER H H 556 8.200 8.200 7.603 0.597 18466 5455 1 8 . 1 1 58 58 ARG N N 557 122.459 122.459 121.955 0.504 18466 5456 1 8 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.014 0.054 18466 5457 1 8 . 1 1 58 58 ARG C C 557 178.190 178.190 178.408 -0.218 18466 5458 1 8 . 1 1 58 58 ARG CA C 557 59.121 59.121 59.660 -0.539 18466 5459 1 8 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.329 0.179 18466 5460 1 8 . 1 1 58 58 ARG H H 557 7.589 7.589 7.737 -0.148 18466 5461 1 8 . 1 1 59 59 LEU N N 558 117.826 117.826 120.738 -2.912 18466 5462 1 8 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.144 -0.035 18466 5463 1 8 . 1 1 59 59 LEU C C 558 177.217 177.217 177.713 -0.496 18466 5464 1 8 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.725 0.053 18466 5465 1 8 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.301 0.127 18466 5466 1 8 . 1 1 59 59 LEU H H 558 8.034 8.034 8.317 -0.283 18466 5467 1 8 . 1 1 60 60 LEU N N 559 112.187 112.187 116.642 -4.455 18466 5468 1 8 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.344 -0.133 18466 5469 1 8 . 1 1 60 60 LEU C C 559 179.037 179.037 177.490 1.547 18466 5470 1 8 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.078 1.173 18466 5471 1 8 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.560 -0.374 18466 5472 1 8 . 1 1 60 60 LEU H H 559 7.844 7.844 7.719 0.125 18466 5473 1 8 . 1 1 61 61 GLY N N 560 104.550 104.550 107.621 -3.071 18466 5474 1 8 . 1 1 61 61 GLY C C 560 173.292 173.292 173.650 -0.358 18466 5475 1 8 . 1 1 61 61 GLY CA C 560 45.525 45.525 45.236 0.289 18466 5476 1 8 . 1 1 61 61 GLY H H 560 7.565 7.565 7.744 -0.179 18466 5477 1 8 . 1 1 62 62 ASP N N 561 120.720 120.720 122.332 -1.612 18466 5478 1 8 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.838 0.058 18466 5479 1 8 . 1 1 62 62 ASP C C 561 174.791 174.791 175.965 -1.174 18466 5480 1 8 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.186 -0.629 18466 5481 1 8 . 1 1 62 62 ASP CB C 561 42.146 42.146 42.670 -0.524 18466 5482 1 8 . 1 1 62 62 ASP H H 561 7.255 7.255 8.390 -1.135 18466 5483 1 8 . 1 1 63 63 ALA N N 562 126.814 126.814 129.855 -3.041 18466 5484 1 8 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.065 -0.024 18466 5485 1 8 . 1 1 63 63 ALA C C 562 180.100 180.100 178.552 1.548 18466 5486 1 8 . 1 1 63 63 ALA CA C 562 55.682 55.682 54.684 0.998 18466 5487 1 8 . 1 1 63 63 ALA CB C 562 18.903 18.903 19.034 -0.131 18466 5488 1 8 . 1 1 63 63 ALA H H 562 8.674 8.674 8.868 -0.194 18466 5489 1 8 . 1 1 64 64 LYS N N 563 118.169 118.169 119.820 -1.651 18466 5490 1 8 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.058 0.099 18466 5491 1 8 . 1 1 64 64 LYS C C 563 179.513 179.513 178.413 1.100 18466 5492 1 8 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.303 0.101 18466 5493 1 8 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.627 -0.661 18466 5494 1 8 . 1 1 64 64 LYS H H 563 8.143 8.143 8.009 0.134 18466 5495 1 8 . 1 1 65 65 GLU N N 564 121.540 121.540 120.214 1.326 18466 5496 1 8 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.038 0.227 18466 5497 1 8 . 1 1 65 65 GLU C C 564 179.400 179.400 179.165 0.235 18466 5498 1 8 . 1 1 65 65 GLU CA C 564 58.381 58.381 59.470 -1.089 18466 5499 1 8 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.515 -0.253 18466 5500 1 8 . 1 1 65 65 GLU H H 564 7.812 7.812 8.977 -1.165 18466 5501 1 8 . 1 1 66 66 LEU N N 565 120.816 120.816 120.077 0.739 18466 5502 1 8 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.977 0.137 18466 5503 1 8 . 1 1 66 66 LEU C C 565 178.632 178.632 178.744 -0.112 18466 5504 1 8 . 1 1 66 66 LEU CA C 565 58.006 58.006 57.997 0.009 18466 5505 1 8 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.845 -0.444 18466 5506 1 8 . 1 1 66 66 LEU H H 565 8.757 8.757 7.912 0.845 18466 5507 1 8 . 1 1 67 67 ALA N N 566 118.909 118.909 120.412 -1.503 18466 5508 1 8 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.940 -0.024 18466 5509 1 8 . 1 1 67 67 ALA C C 566 178.874 178.874 179.683 -0.809 18466 5510 1 8 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.188 0.779 18466 5511 1 8 . 1 1 67 67 ALA CB C 566 18.119 18.119 18.114 0.005 18466 5512 1 8 . 1 1 67 67 ALA H H 566 8.058 8.058 7.734 0.324 18466 5513 1 8 . 1 1 68 68 ASN N N 567 115.314 115.314 117.479 -2.165 18466 5514 1 8 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.496 -0.054 18466 5515 1 8 . 1 1 68 68 ASN C C 567 176.598 176.598 177.429 -0.831 18466 5516 1 8 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.035 1.111 18466 5517 1 8 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.616 0.416 18466 5518 1 8 . 1 1 68 68 ASN H H 567 7.478 7.478 8.240 -0.762 18466 5519 1 8 . 1 1 69 69 ILE N N 568 117.111 117.111 119.327 -2.216 18466 5520 1 8 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.964 0.032 18466 5521 1 8 . 1 1 69 69 ILE C C 568 179.707 179.707 177.948 1.759 18466 5522 1 8 . 1 1 69 69 ILE CA C 568 63.604 63.604 62.827 0.777 18466 5523 1 8 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.294 0.134 18466 5524 1 8 . 1 1 69 69 ILE H H 568 8.027 8.027 8.281 -0.254 18466 5525 1 8 . 1 1 70 70 LEU N N 569 121.388 121.388 121.630 -0.242 18466 5526 1 8 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.164 -0.064 18466 5527 1 8 . 1 1 70 70 LEU C C 569 179.729 179.729 180.043 -0.314 18466 5528 1 8 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.954 0.638 18466 5529 1 8 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.319 0.595 18466 5530 1 8 . 1 1 70 70 LEU H H 569 8.985 8.985 8.361 0.624 18466 5531 1 8 . 1 1 71 71 LYS N N 570 116.226 116.226 118.477 -2.251 18466 5532 1 8 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.069 -0.131 18466 5533 1 8 . 1 1 71 71 LYS C C 570 177.620 177.620 178.049 -0.429 18466 5534 1 8 . 1 1 71 71 LYS CA C 570 60.800 60.800 59.101 1.699 18466 5535 1 8 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.162 0.279 18466 5536 1 8 . 1 1 71 71 LYS H H 570 8.525 8.525 8.045 0.480 18466 5537 1 8 . 1 1 72 72 TYR N N 571 120.076 120.076 117.995 2.081 18466 5538 1 8 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.506 0.118 18466 5539 1 8 . 1 1 72 72 TYR C C 571 171.915 171.915 176.469 -4.554 18466 5540 1 8 . 1 1 72 72 TYR CA C 571 58.886 58.886 58.625 0.261 18466 5541 1 8 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.814 -0.051 18466 5542 1 8 . 1 1 72 72 TYR H H 571 7.624 7.624 7.831 -0.207 18466 5543 1 8 . 1 1 73 73 HIS N N 572 108.895 108.895 116.746 -7.851 18466 5544 1 8 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.646 -0.455 18466 5545 1 8 . 1 1 73 73 HIS C C 572 173.852 173.852 174.095 -0.243 18466 5546 1 8 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.408 0.462 18466 5547 1 8 . 1 1 73 73 HIS CB C 572 28.158 28.158 31.232 -3.074 18466 5548 1 8 . 1 1 73 73 HIS H H 572 7.532 7.532 7.747 -0.215 18466 5549 1 8 . 1 1 74 74 ILE N N 573 117.580 117.580 119.725 -2.145 18466 5550 1 8 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.819 0.390 18466 5551 1 8 . 1 1 74 74 ILE C C 573 175.691 175.691 174.984 0.707 18466 5552 1 8 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.253 -0.626 18466 5553 1 8 . 1 1 74 74 ILE CB C 573 40.690 40.690 39.653 1.037 18466 5554 1 8 . 1 1 74 74 ILE H H 573 7.310 7.310 7.454 -0.144 18466 5555 1 8 . 1 1 75 75 GLY N N 574 111.704 111.704 113.423 -1.719 18466 5556 1 8 . 1 1 75 75 GLY C C 574 173.963 173.963 174.092 -0.129 18466 5557 1 8 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.734 0.201 18466 5558 1 8 . 1 1 75 75 GLY H H 574 10.187 10.187 9.200 0.987 18466 5559 1 8 . 1 1 76 76 ASP N N 575 120.565 120.565 121.910 -1.345 18466 5560 1 8 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.553 0.215 18466 5561 1 8 . 1 1 76 76 ASP C C 575 174.774 174.774 175.770 -0.996 18466 5562 1 8 . 1 1 76 76 ASP CA C 575 53.727 53.727 56.180 -2.453 18466 5563 1 8 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.763 -0.927 18466 5564 1 8 . 1 1 76 76 ASP H H 575 8.356 8.356 8.838 -0.482 18466 5565 1 8 . 1 1 77 77 GLU N N 576 114.303 114.303 115.084 -0.781 18466 5566 1 8 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.440 0.031 18466 5567 1 8 . 1 1 77 77 GLU C C 576 175.374 175.374 175.076 0.298 18466 5568 1 8 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.546 -0.059 18466 5569 1 8 . 1 1 77 77 GLU CB C 576 33.319 33.319 32.146 1.173 18466 5570 1 8 . 1 1 77 77 GLU H H 576 7.271 7.271 7.818 -0.547 18466 5571 1 8 . 1 1 78 78 ILE N N 577 120.967 120.967 122.421 -1.454 18466 5572 1 8 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.601 -1.024 18466 5573 1 8 . 1 1 78 78 ILE C C 577 174.824 174.824 175.715 -0.891 18466 5574 1 8 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.538 0.790 18466 5575 1 8 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.253 0.157 18466 5576 1 8 . 1 1 78 78 ILE H H 577 8.498 8.498 8.599 -0.101 18466 5577 1 8 . 1 1 79 79 LEU N N 578 132.772 132.772 130.735 2.037 18466 5578 1 8 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.812 -0.040 18466 5579 1 8 . 1 1 79 79 LEU C C 578 174.159 174.159 174.693 -0.534 18466 5580 1 8 . 1 1 79 79 LEU CA C 578 53.897 53.897 54.016 -0.119 18466 5581 1 8 . 1 1 79 79 LEU CB C 578 44.049 44.049 44.424 -0.375 18466 5582 1 8 . 1 1 79 79 LEU H H 578 7.992 7.992 8.284 -0.292 18466 5583 1 8 . 1 1 80 80 VAL N N 579 118.382 118.382 125.764 -7.382 18466 5584 1 8 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.492 0.280 18466 5585 1 8 . 1 1 80 80 VAL C C 579 178.418 178.418 176.841 1.577 18466 5586 1 8 . 1 1 80 80 VAL CA C 579 59.503 59.503 60.780 -1.277 18466 5587 1 8 . 1 1 80 80 VAL CB C 579 33.434 33.434 34.789 -1.355 18466 5588 1 8 . 1 1 80 80 VAL H H 579 7.954 7.954 8.567 -0.613 18466 5589 1 8 . 1 1 81 81 SER N N 580 121.875 121.875 119.981 1.894 18466 5590 1 8 . 1 1 81 81 SER HA H 580 3.838 3.838 4.235 -0.397 18466 5591 1 8 . 1 1 81 81 SER C C 580 177.145 177.145 175.716 1.429 18466 5592 1 8 . 1 1 81 81 SER CA C 580 62.909 62.909 61.956 0.953 18466 5593 1 8 . 1 1 81 81 SER CB C 580 62.215 62.215 63.081 -0.866 18466 5594 1 8 . 1 1 81 81 SER H H 580 11.083 11.083 9.666 1.417 18466 5595 1 8 . 1 1 82 82 GLY N N 581 107.458 107.458 105.637 1.821 18466 5596 1 8 . 1 1 82 82 GLY C C 581 174.750 174.750 174.777 -0.027 18466 5597 1 8 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.039 0.900 18466 5598 1 8 . 1 1 82 82 GLY H H 581 8.277 8.277 8.394 -0.117 18466 5599 1 8 . 1 1 83 83 GLY N N 582 107.852 107.852 108.644 -0.792 18466 5600 1 8 . 1 1 83 83 GLY C C 582 174.378 174.378 175.200 -0.822 18466 5601 1 8 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.425 0.101 18466 5602 1 8 . 1 1 83 83 GLY H H 582 8.246 8.246 7.961 0.285 18466 5603 1 8 . 1 1 84 84 ILE N N 583 120.968 120.968 121.132 -0.164 18466 5604 1 8 . 1 1 84 84 ILE HA H 583 3.817 3.817 3.747 0.070 18466 5605 1 8 . 1 1 84 84 ILE C C 583 175.640 175.640 177.549 -1.909 18466 5606 1 8 . 1 1 84 84 ILE CA C 583 62.947 62.947 63.970 -1.023 18466 5607 1 8 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.452 0.636 18466 5608 1 8 . 1 1 84 84 ILE H H 583 7.306 7.306 7.404 -0.098 18466 5609 1 8 . 1 1 85 85 GLY N N 584 112.093 112.093 106.824 5.269 18466 5610 1 8 . 1 1 85 85 GLY C C 584 173.086 173.086 173.806 -0.720 18466 5611 1 8 . 1 1 85 85 GLY CA C 584 45.544 45.544 46.360 -0.816 18466 5612 1 8 . 1 1 85 85 GLY H H 584 7.947 7.947 8.316 -0.369 18466 5613 1 8 . 1 1 86 86 ALA N N 585 125.044 125.044 123.042 2.002 18466 5614 1 8 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.746 -0.432 18466 5615 1 8 . 1 1 86 86 ALA C C 585 177.355 177.355 175.180 2.175 18466 5616 1 8 . 1 1 86 86 ALA CA C 585 54.149 54.149 51.820 2.329 18466 5617 1 8 . 1 1 86 86 ALA CB C 585 19.671 19.671 21.734 -2.063 18466 5618 1 8 . 1 1 86 86 ALA H H 585 8.295 8.295 7.974 0.321 18466 5619 1 8 . 1 1 87 87 LEU N N 586 118.525 118.525 119.757 -1.232 18466 5620 1 8 . 1 1 87 87 LEU HA H 586 4.713 4.713 5.072 -0.359 18466 5621 1 8 . 1 1 87 87 LEU C C 586 175.568 175.568 174.937 0.631 18466 5622 1 8 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.725 1.439 18466 5623 1 8 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.931 -2.236 18466 5624 1 8 . 1 1 87 87 LEU H H 586 7.804 7.804 8.104 -0.300 18466 5625 1 8 . 1 1 88 88 VAL N N 587 128.017 128.017 126.146 1.871 18466 5626 1 8 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.408 -0.105 18466 5627 1 8 . 1 1 88 88 VAL C C 587 174.137 174.137 174.370 -0.233 18466 5628 1 8 . 1 1 88 88 VAL CA C 587 61.394 61.394 61.104 0.290 18466 5629 1 8 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.875 -0.160 18466 5630 1 8 . 1 1 88 88 VAL H H 587 9.514 9.514 9.292 0.222 18466 5631 1 8 . 1 1 89 89 ARG N N 588 125.361 125.361 126.657 -1.296 18466 5632 1 8 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.556 0.708 18466 5633 1 8 . 1 1 89 89 ARG C C 588 174.993 174.993 175.534 -0.541 18466 5634 1 8 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.712 -0.945 18466 5635 1 8 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.208 -0.074 18466 5636 1 8 . 1 1 89 89 ARG H H 588 8.616 8.616 8.550 0.066 18466 5637 1 8 . 1 1 90 90 LEU N N 589 128.011 128.011 127.552 0.459 18466 5638 1 8 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.657 -0.089 18466 5639 1 8 . 1 1 90 90 LEU C C 589 174.937 174.937 175.344 -0.407 18466 5640 1 8 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.737 -0.568 18466 5641 1 8 . 1 1 90 90 LEU CB C 589 46.013 46.013 44.539 1.474 18466 5642 1 8 . 1 1 90 90 LEU H H 589 8.814 8.814 9.121 -0.307 18466 5643 1 8 . 1 1 91 91 LYS N N 590 129.467 129.467 125.603 3.864 18466 5644 1 8 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.765 -0.737 18466 5645 1 8 . 1 1 91 91 LYS C C 590 174.523 174.523 176.449 -1.926 18466 5646 1 8 . 1 1 91 91 LYS CA C 590 58.450 58.450 55.712 2.738 18466 5647 1 8 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.151 -0.753 18466 5648 1 8 . 1 1 91 91 LYS H H 590 9.414 9.414 8.761 0.653 18466 5649 1 8 . 1 1 92 92 SER N N 591 121.877 121.877 117.755 4.122 18466 5650 1 8 . 1 1 92 92 SER HA H 591 5.622 5.622 5.091 0.531 18466 5651 1 8 . 1 1 92 92 SER C C 591 178.072 178.072 176.047 2.025 18466 5652 1 8 . 1 1 92 92 SER CA C 591 58.281 58.281 56.502 1.778 18466 5653 1 8 . 1 1 92 92 SER CB C 591 67.446 67.446 66.233 1.213 18466 5654 1 8 . 1 1 92 92 SER H H 591 7.965 7.965 8.538 -0.573 18466 5655 1 8 . 1 1 93 93 LEU N N 592 121.378 121.378 120.538 0.840 18466 5656 1 8 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.282 0.021 18466 5657 1 8 . 1 1 93 93 LEU C C 592 178.509 178.509 178.515 -0.006 18466 5658 1 8 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.027 0.237 18466 5659 1 8 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.214 0.177 18466 5660 1 8 . 1 1 93 93 LEU H H 592 9.327 9.327 8.858 0.469 18466 5661 1 8 . 1 1 94 94 GLN N N 593 119.354 119.354 118.142 1.212 18466 5662 1 8 . 1 1 94 94 GLN C C 593 176.197 176.197 177.318 -1.121 18466 5663 1 8 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.873 -1.375 18466 5664 1 8 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.554 -2.275 18466 5665 1 8 . 1 1 94 94 GLN H H 593 7.526 7.526 8.047 -0.521 18466 5666 1 8 . 1 1 95 95 GLY N N 594 109.497 109.497 107.339 2.158 18466 5667 1 8 . 1 1 95 95 GLY C C 594 174.379 174.379 174.390 -0.011 18466 5668 1 8 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.918 0.550 18466 5669 1 8 . 1 1 95 95 GLY H H 594 7.632 7.632 7.828 -0.196 18466 5670 1 8 . 1 1 96 96 ASP N N 595 121.403 121.403 121.613 -0.210 18466 5671 1 8 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.816 0.084 18466 5672 1 8 . 1 1 96 96 ASP C C 595 177.399 177.399 175.528 1.871 18466 5673 1 8 . 1 1 96 96 ASP CA C 595 54.569 54.569 53.492 1.077 18466 5674 1 8 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.506 -1.215 18466 5675 1 8 . 1 1 96 96 ASP H H 595 8.835 8.835 8.131 0.704 18466 5676 1 8 . 1 1 97 97 LYS N N 596 119.362 119.362 118.338 1.024 18466 5677 1 8 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.757 0.287 18466 5678 1 8 . 1 1 97 97 LYS C C 596 176.620 176.620 175.667 0.953 18466 5679 1 8 . 1 1 97 97 LYS CA C 596 56.128 56.128 55.186 0.942 18466 5680 1 8 . 1 1 97 97 LYS CB C 596 33.880 33.880 34.376 -0.496 18466 5681 1 8 . 1 1 97 97 LYS H H 596 9.018 9.018 8.437 0.581 18466 5682 1 8 . 1 1 98 98 LEU N N 597 125.543 125.543 125.183 0.360 18466 5683 1 8 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.498 -0.144 18466 5684 1 8 . 1 1 98 98 LEU C C 597 176.218 176.218 175.004 1.214 18466 5685 1 8 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.894 0.043 18466 5686 1 8 . 1 1 98 98 LEU CB C 597 45.114 45.114 43.373 1.741 18466 5687 1 8 . 1 1 98 98 LEU H H 597 9.304 9.304 9.232 0.072 18466 5688 1 8 . 1 1 99 99 GLU N N 598 121.122 121.122 126.275 -5.153 18466 5689 1 8 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.368 0.270 18466 5690 1 8 . 1 1 99 99 GLU C C 598 175.099 175.099 175.353 -0.254 18466 5691 1 8 . 1 1 99 99 GLU CA C 598 55.729 55.729 55.895 -0.166 18466 5692 1 8 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.525 1.029 18466 5693 1 8 . 1 1 99 99 GLU H H 598 8.314 8.314 9.453 -1.139 18466 5694 1 8 . 1 1 100 100 VAL N N 599 130.705 130.705 128.390 2.315 18466 5695 1 8 . 1 1 100 100 VAL HA H 599 5.043 5.043 5.194 -0.151 18466 5696 1 8 . 1 1 100 100 VAL C C 599 173.758 173.758 175.177 -1.419 18466 5697 1 8 . 1 1 100 100 VAL CA C 599 61.106 61.106 60.580 0.526 18466 5698 1 8 . 1 1 100 100 VAL CB C 599 32.772 32.772 31.941 0.831 18466 5699 1 8 . 1 1 100 100 VAL H H 599 9.330 9.330 7.976 1.354 18466 5700 1 8 . 1 1 101 101 SER N N 600 119.932 119.932 123.059 -3.127 18466 5701 1 8 . 1 1 101 101 SER HA H 600 4.942 4.942 5.073 -0.131 18466 5702 1 8 . 1 1 101 101 SER C C 600 171.934 171.934 172.690 -0.756 18466 5703 1 8 . 1 1 101 101 SER CA C 600 56.624 56.624 56.285 0.339 18466 5704 1 8 . 1 1 101 101 SER CB C 600 67.420 67.420 66.474 0.946 18466 5705 1 8 . 1 1 101 101 SER H H 600 9.016 9.016 9.043 -0.027 18466 5706 1 8 . 1 1 102 102 LEU N N 601 122.984 122.984 124.762 -1.778 18466 5707 1 8 . 1 1 102 102 LEU HA H 601 5.047 5.047 4.876 0.171 18466 5708 1 8 . 1 1 102 102 LEU C C 601 175.753 175.753 175.237 0.516 18466 5709 1 8 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.420 -0.127 18466 5710 1 8 . 1 1 102 102 LEU CB C 601 45.099 45.099 43.802 1.297 18466 5711 1 8 . 1 1 102 102 LEU H H 601 7.919 7.919 8.877 -0.958 18466 5712 1 8 . 1 1 103 103 LYS N N 602 126.471 126.471 126.980 -0.509 18466 5713 1 8 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.706 -0.251 18466 5714 1 8 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.367 0.331 18466 5715 1 8 . 1 1 103 103 LYS CB C 602 35.012 35.012 35.037 -0.025 18466 5716 1 8 . 1 1 103 103 LYS H H 602 8.335 8.335 8.744 -0.409 18466 5717 1 8 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.387 -0.094 18466 5718 1 8 . 1 1 104 104 ASN C C 603 174.155 174.155 174.645 -0.490 18466 5719 1 8 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.209 0.538 18466 5720 1 8 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.441 -0.265 18466 5721 1 8 . 1 1 105 105 ASN N N 604 108.810 108.810 109.870 -1.060 18466 5722 1 8 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.337 -0.170 18466 5723 1 8 . 1 1 105 105 ASN C C 604 173.758 173.758 173.729 0.029 18466 5724 1 8 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.783 0.392 18466 5725 1 8 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.086 0.121 18466 5726 1 8 . 1 1 105 105 ASN H H 604 8.680 8.680 8.583 0.097 18466 5727 1 8 . 1 1 106 106 VAL N N 605 121.572 121.572 120.456 1.116 18466 5728 1 8 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.309 -0.021 18466 5729 1 8 . 1 1 106 106 VAL C C 605 176.336 176.336 175.414 0.922 18466 5730 1 8 . 1 1 106 106 VAL CA C 605 62.139 62.139 61.354 0.785 18466 5731 1 8 . 1 1 106 106 VAL CB C 605 34.436 34.436 33.154 1.282 18466 5732 1 8 . 1 1 106 106 VAL H H 605 7.908 7.908 7.773 0.135 18466 5733 1 8 . 1 1 107 107 VAL N N 606 133.223 133.223 128.869 4.354 18466 5734 1 8 . 1 1 107 107 VAL HA H 606 4.627 4.627 4.526 0.101 18466 5735 1 8 . 1 1 107 107 VAL C C 606 174.704 174.704 175.749 -1.045 18466 5736 1 8 . 1 1 107 107 VAL CA C 606 61.787 61.787 62.991 -1.204 18466 5737 1 8 . 1 1 107 107 VAL CB C 606 32.211 32.211 32.668 -0.457 18466 5738 1 8 . 1 1 107 107 VAL H H 606 9.418 9.418 8.862 0.556 18466 5739 1 8 . 1 1 108 108 SER N N 607 120.743 120.743 120.183 0.560 18466 5740 1 8 . 1 1 108 108 SER HA H 607 5.365 5.365 5.151 0.214 18466 5741 1 8 . 1 1 108 108 SER C C 607 171.934 171.934 172.466 -0.532 18466 5742 1 8 . 1 1 108 108 SER CA C 607 56.958 56.958 56.896 0.062 18466 5743 1 8 . 1 1 108 108 SER CB C 607 66.469 66.469 66.085 0.384 18466 5744 1 8 . 1 1 108 108 SER H H 607 9.123 9.123 8.881 0.242 18466 5745 1 8 . 1 1 109 109 VAL N N 608 121.138 121.138 122.251 -1.113 18466 5746 1 8 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.535 0.245 18466 5747 1 8 . 1 1 109 109 VAL C C 608 173.903 173.903 174.593 -0.690 18466 5748 1 8 . 1 1 109 109 VAL CA C 608 57.399 57.399 59.782 -2.383 18466 5749 1 8 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.483 0.478 18466 5750 1 8 . 1 1 109 109 VAL H H 608 9.144 9.144 8.982 0.162 18466 5751 1 8 . 1 1 110 110 ASN N N 609 128.266 128.266 127.712 0.554 18466 5752 1 8 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.240 0.025 18466 5753 1 8 . 1 1 110 110 ASN C C 609 175.296 175.296 174.687 0.609 18466 5754 1 8 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.443 -0.435 18466 5755 1 8 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.303 -0.382 18466 5756 1 8 . 1 1 110 110 ASN H H 609 9.783 9.783 9.218 0.565 18466 5757 1 8 . 1 1 111 111 LYS N N 610 107.513 107.513 112.957 -5.444 18466 5758 1 8 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.921 -0.273 18466 5759 1 8 . 1 1 111 111 LYS C C 610 175.617 175.617 175.701 -0.084 18466 5760 1 8 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.475 -0.072 18466 5761 1 8 . 1 1 111 111 LYS CB C 610 30.521 30.521 32.129 -1.608 18466 5762 1 8 . 1 1 111 111 LYS H H 610 8.302 8.302 8.532 -0.230 18466 5763 1 8 . 1 1 112 112 GLU N N 611 125.401 125.401 121.015 4.386 18466 5764 1 8 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.643 0.156 18466 5765 1 8 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.723 -0.817 18466 5766 1 8 . 1 1 112 112 GLU H H 611 8.565 8.565 7.429 1.136 18466 5767 1 8 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.586 0.100 18466 5768 1 8 . 1 1 113 113 PRO C C 612 177.464 177.464 176.206 1.258 18466 5769 1 8 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.735 -0.072 18466 5770 1 8 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.391 -0.240 18466 5771 1 8 . 1 1 114 114 VAL N N 613 124.842 124.842 121.372 3.470 18466 5772 1 8 . 1 1 114 114 VAL HA H 613 4.284 4.284 3.953 0.331 18466 5773 1 8 . 1 1 114 114 VAL C C 613 176.520 176.520 175.579 0.941 18466 5774 1 8 . 1 1 114 114 VAL CA C 613 62.290 62.290 61.615 0.675 18466 5775 1 8 . 1 1 114 114 VAL CB C 613 32.203 32.203 33.132 -0.929 18466 5776 1 8 . 1 1 114 114 VAL H H 613 9.226 9.226 8.583 0.643 18466 5777 1 8 . 1 1 115 115 ALA N N 614 132.511 132.511 130.820 1.691 18466 5778 1 8 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.415 -0.078 18466 5779 1 8 . 1 1 115 115 ALA C C 614 178.395 178.395 177.119 1.276 18466 5780 1 8 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.324 0.698 18466 5781 1 8 . 1 1 115 115 ALA CB C 614 19.663 19.663 20.049 -0.386 18466 5782 1 8 . 1 1 115 115 ALA H H 614 8.910 8.910 8.977 -0.067 18466 5783 1 8 . 1 1 116 116 GLU N N 615 115.091 115.091 117.241 -2.150 18466 5784 1 8 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.844 0.029 18466 5785 1 8 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.434 0.055 18466 5786 1 8 . 1 1 116 116 GLU H H 615 6.869 6.869 7.928 -1.059 18466 5787 1 8 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.093 0.551 18466 5788 1 8 . 1 1 117 117 PRO C C 616 177.124 177.124 176.437 0.687 18466 5789 1 8 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.420 -0.382 18466 5790 1 8 . 1 1 117 117 PRO CB C 616 33.662 33.662 33.303 0.358 18466 5791 1 8 . 1 1 118 118 ASP N N 617 114.361 114.361 115.460 -1.099 18466 5792 1 8 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.169 -0.284 18466 5793 1 8 . 1 1 118 118 ASP C C 617 174.982 174.982 175.364 -0.382 18466 5794 1 8 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.421 -0.546 18466 5795 1 8 . 1 1 118 118 ASP CB C 617 37.661 37.661 39.807 -2.146 18466 5796 1 8 . 1 1 118 118 ASP H H 617 9.745 9.745 8.084 1.661 18466 5797 1 8 . 1 1 119 119 ILE N N 618 121.057 121.057 120.705 0.352 18466 5798 1 8 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.048 -0.009 18466 5799 1 8 . 1 1 119 119 ILE C C 618 175.857 175.857 175.022 0.835 18466 5800 1 8 . 1 1 119 119 ILE CA C 618 62.841 62.841 61.178 1.663 18466 5801 1 8 . 1 1 119 119 ILE CB C 618 36.496 36.496 37.551 -1.055 18466 5802 1 8 . 1 1 119 119 ILE H H 618 8.754 8.754 7.470 1.284 18466 5803 1 8 . 1 1 120 120 MET N N 619 125.664 125.664 128.753 -3.089 18466 5804 1 8 . 1 1 120 120 MET HA H 619 4.604 4.604 4.441 0.163 18466 5805 1 8 . 1 1 120 120 MET C C 619 174.825 174.825 174.951 -0.126 18466 5806 1 8 . 1 1 120 120 MET CA C 619 55.006 55.006 55.572 -0.566 18466 5807 1 8 . 1 1 120 120 MET CB C 619 31.457 31.457 33.563 -2.106 18466 5808 1 8 . 1 1 120 120 MET H H 619 8.077 8.077 8.329 -0.252 18466 5809 1 8 . 1 1 121 121 ALA N N 620 122.929 122.929 128.824 -5.895 18466 5810 1 8 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.752 0.143 18466 5811 1 8 . 1 1 121 121 ALA C C 620 177.945 177.945 176.313 1.632 18466 5812 1 8 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.732 -0.709 18466 5813 1 8 . 1 1 121 121 ALA CB C 620 23.030 23.030 21.910 1.119 18466 5814 1 8 . 1 1 121 121 ALA H H 620 8.386 8.386 8.884 -0.498 18466 5815 1 8 . 1 1 122 122 THR N N 621 111.051 111.051 113.116 -2.065 18466 5816 1 8 . 1 1 122 122 THR HA H 621 4.046 4.046 4.246 -0.200 18466 5817 1 8 . 1 1 122 122 THR C C 621 176.366 176.366 175.229 1.137 18466 5818 1 8 . 1 1 122 122 THR CA C 621 64.526 64.526 64.168 0.358 18466 5819 1 8 . 1 1 122 122 THR CB C 621 68.423 68.423 68.742 -0.319 18466 5820 1 8 . 1 1 122 122 THR H H 621 9.176 9.176 8.348 0.828 18466 5821 1 8 . 1 1 123 123 ASN N N 622 117.402 117.402 115.819 1.583 18466 5822 1 8 . 1 1 123 123 ASN HA H 622 5.034 5.034 5.034 -0.000 18466 5823 1 8 . 1 1 123 123 ASN C C 622 173.258 173.258 174.856 -1.598 18466 5824 1 8 . 1 1 123 123 ASN CA C 622 51.163 51.163 53.357 -2.194 18466 5825 1 8 . 1 1 123 123 ASN CB C 622 37.038 37.038 39.474 -2.436 18466 5826 1 8 . 1 1 123 123 ASN H H 622 7.970 7.970 8.417 -0.447 18466 5827 1 8 . 1 1 124 124 GLY N N 623 102.697 102.697 106.193 -3.496 18466 5828 1 8 . 1 1 124 124 GLY C C 623 169.960 169.960 172.065 -2.105 18466 5829 1 8 . 1 1 124 124 GLY CA C 623 46.700 46.700 44.752 1.948 18466 5830 1 8 . 1 1 124 124 GLY H H 623 6.916 6.916 7.261 -0.345 18466 5831 1 8 . 1 1 125 125 VAL N N 624 120.074 120.074 119.975 0.099 18466 5832 1 8 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.220 -0.338 18466 5833 1 8 . 1 1 125 125 VAL C C 624 170.860 170.860 173.549 -2.689 18466 5834 1 8 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.672 -0.075 18466 5835 1 8 . 1 1 125 125 VAL CB C 624 34.915 34.915 36.118 -1.204 18466 5836 1 8 . 1 1 125 125 VAL H H 624 8.474 8.474 8.703 -0.229 18466 5837 1 8 . 1 1 126 126 VAL N N 625 127.537 127.537 125.107 2.430 18466 5838 1 8 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.731 -0.090 18466 5839 1 8 . 1 1 126 126 VAL C C 625 172.913 172.913 174.059 -1.146 18466 5840 1 8 . 1 1 126 126 VAL CA C 625 60.474 60.474 60.511 -0.037 18466 5841 1 8 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.907 -0.769 18466 5842 1 8 . 1 1 126 126 VAL H H 625 9.093 9.093 8.544 0.549 18466 5843 1 8 . 1 1 127 127 HIS N N 626 124.236 124.236 125.113 -0.877 18466 5844 1 8 . 1 1 127 127 HIS HA H 626 5.499 5.499 5.069 0.430 18466 5845 1 8 . 1 1 127 127 HIS C C 626 175.690 175.690 175.128 0.562 18466 5846 1 8 . 1 1 127 127 HIS CA C 626 53.204 53.204 54.206 -1.002 18466 5847 1 8 . 1 1 127 127 HIS CB C 626 34.315 34.315 31.630 2.685 18466 5848 1 8 . 1 1 127 127 HIS H H 626 8.732 8.732 8.979 -0.247 18466 5849 1 8 . 1 1 128 128 VAL N N 627 124.683 124.683 126.860 -2.177 18466 5850 1 8 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.288 0.205 18466 5851 1 8 . 1 1 128 128 VAL C C 627 176.380 176.380 175.585 0.795 18466 5852 1 8 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.842 0.915 18466 5853 1 8 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.971 0.917 18466 5854 1 8 . 1 1 128 128 VAL H H 627 8.827 8.827 8.853 -0.026 18466 5855 1 8 . 1 1 129 129 ILE N N 628 121.094 121.094 121.502 -0.408 18466 5856 1 8 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.832 0.311 18466 5857 1 8 . 1 1 129 129 ILE C C 628 175.099 175.099 175.977 -0.878 18466 5858 1 8 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.247 1.008 18466 5859 1 8 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.374 1.239 18466 5860 1 8 . 1 1 129 129 ILE H H 628 8.650 8.650 8.736 -0.086 18466 5861 1 8 . 1 1 130 130 THR N N 629 108.406 108.406 113.070 -4.664 18466 5862 1 8 . 1 1 130 130 THR HA H 629 4.666 4.666 4.558 0.108 18466 5863 1 8 . 1 1 130 130 THR C C 629 173.079 173.079 174.100 -1.021 18466 5864 1 8 . 1 1 130 130 THR CA C 629 61.373 61.373 61.811 -0.438 18466 5865 1 8 . 1 1 130 130 THR CB C 629 68.776 68.776 69.393 -0.617 18466 5866 1 8 . 1 1 130 130 THR H H 629 9.359 9.359 8.795 0.564 18466 5867 1 8 . 1 1 131 131 ASN N N 630 117.726 117.726 117.667 0.059 18466 5868 1 8 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.838 -0.018 18466 5869 1 8 . 1 1 131 131 ASN C C 630 172.152 172.152 173.022 -0.870 18466 5870 1 8 . 1 1 131 131 ASN CA C 630 52.538 52.538 51.878 0.660 18466 5871 1 8 . 1 1 131 131 ASN CB C 630 43.071 43.071 40.324 2.748 18466 5872 1 8 . 1 1 131 131 ASN H H 630 7.404 7.404 7.566 -0.162 18466 5873 1 8 . 1 1 132 132 VAL N N 631 118.213 118.213 119.918 -1.705 18466 5874 1 8 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.337 -0.349 18466 5875 1 8 . 1 1 132 132 VAL C C 631 176.686 176.686 174.488 2.198 18466 5876 1 8 . 1 1 132 132 VAL CA C 631 62.358 62.358 60.047 2.311 18466 5877 1 8 . 1 1 132 132 VAL CB C 631 32.611 32.611 33.361 -0.750 18466 5878 1 8 . 1 1 132 132 VAL H H 631 8.137 8.137 8.271 -0.134 18466 5879 1 8 . 1 1 133 133 LEU N N 632 132.179 132.179 128.937 3.242 18466 5880 1 8 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.226 -0.017 18466 5881 1 8 . 1 1 133 133 LEU C C 632 175.569 175.569 176.159 -0.590 18466 5882 1 8 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.699 0.516 18466 5883 1 8 . 1 1 133 133 LEU CB C 632 41.473 41.473 40.597 0.876 18466 5884 1 8 . 1 1 133 133 LEU H H 632 10.917 10.917 8.079 2.838 18466 5885 1 8 . 1 1 134 134 GLN N N 633 115.538 115.538 124.617 -9.079 18466 5886 1 8 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.748 0.033 18466 5887 1 8 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.689 -0.297 18466 5888 1 8 . 1 1 134 134 GLN H H 633 7.765 7.765 8.186 -0.421 18466 5889 1 9 . 1 1 3 3 MET C C 502 175.880 175.880 176.140 -0.260 18466 5890 1 9 . 1 1 3 3 MET CA C 502 55.950 55.950 55.495 0.455 18466 5891 1 9 . 1 1 3 3 MET CB C 502 34.203 34.203 33.804 0.399 18466 5892 1 9 . 1 1 4 4 GLY N N 503 111.090 111.090 105.757 5.333 18466 5893 1 9 . 1 1 4 4 GLY C C 503 174.009 174.009 173.173 0.836 18466 5894 1 9 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.997 -0.520 18466 5895 1 9 . 1 1 4 4 GLY H H 503 8.375 8.375 8.182 0.193 18466 5896 1 9 . 1 1 5 5 THR N N 504 111.543 111.543 113.826 -2.283 18466 5897 1 9 . 1 1 5 5 THR HA H 504 4.437 4.437 4.721 -0.284 18466 5898 1 9 . 1 1 5 5 THR C C 504 176.361 176.361 176.460 -0.099 18466 5899 1 9 . 1 1 5 5 THR CA C 504 61.972 61.972 61.265 0.707 18466 5900 1 9 . 1 1 5 5 THR CB C 504 73.041 73.041 71.354 1.687 18466 5901 1 9 . 1 1 5 5 THR H H 504 9.227 9.227 7.954 1.273 18466 5902 1 9 . 1 1 6 6 VAL N N 505 118.236 118.236 120.714 -2.478 18466 5903 1 9 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.640 -0.387 18466 5904 1 9 . 1 1 6 6 VAL C C 505 177.287 177.287 177.938 -0.651 18466 5905 1 9 . 1 1 6 6 VAL CA C 505 67.124 67.124 67.025 0.099 18466 5906 1 9 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.287 0.210 18466 5907 1 9 . 1 1 6 6 VAL H H 505 9.896 9.896 8.534 1.362 18466 5908 1 9 . 1 1 7 7 MET N N 506 114.146 114.146 117.572 -3.426 18466 5909 1 9 . 1 1 7 7 MET HA H 506 4.358 4.358 4.027 0.331 18466 5910 1 9 . 1 1 7 7 MET C C 506 178.126 178.126 177.737 0.389 18466 5911 1 9 . 1 1 7 7 MET CA C 506 56.050 56.050 57.860 -1.810 18466 5912 1 9 . 1 1 7 7 MET CB C 506 30.608 30.608 31.482 -0.874 18466 5913 1 9 . 1 1 7 7 MET H H 506 6.970 6.970 8.087 -1.117 18466 5914 1 9 . 1 1 8 8 ASP N N 507 120.413 120.413 119.569 0.844 18466 5915 1 9 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.413 -0.160 18466 5916 1 9 . 1 1 8 8 ASP C C 507 179.824 179.824 179.128 0.696 18466 5917 1 9 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.130 1.017 18466 5918 1 9 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.776 -0.298 18466 5919 1 9 . 1 1 8 8 ASP H H 507 7.433 7.433 7.709 -0.276 18466 5920 1 9 . 1 1 9 9 VAL N N 508 121.366 121.366 120.275 1.091 18466 5921 1 9 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.712 -0.147 18466 5922 1 9 . 1 1 9 9 VAL C C 508 179.112 179.112 178.114 0.998 18466 5923 1 9 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.580 -0.431 18466 5924 1 9 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.918 -0.348 18466 5925 1 9 . 1 1 9 9 VAL H H 508 8.157 8.157 7.412 0.745 18466 5926 1 9 . 1 1 10 10 LEU N N 509 117.252 117.252 119.262 -2.010 18466 5927 1 9 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.293 -0.271 18466 5928 1 9 . 1 1 10 10 LEU C C 509 179.092 179.092 178.181 0.911 18466 5929 1 9 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.551 -0.207 18466 5930 1 9 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.166 0.756 18466 5931 1 9 . 1 1 10 10 LEU H H 509 7.859 7.859 8.260 -0.401 18466 5932 1 9 . 1 1 11 11 LYS N N 510 114.815 114.815 115.155 -0.340 18466 5933 1 9 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.329 -0.375 18466 5934 1 9 . 1 1 11 11 LYS C C 510 178.026 178.026 178.071 -0.045 18466 5935 1 9 . 1 1 11 11 LYS CA C 510 59.144 59.144 57.302 1.842 18466 5936 1 9 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.788 -0.092 18466 5937 1 9 . 1 1 11 11 LYS H H 510 8.376 8.376 7.472 0.904 18466 5938 1 9 . 1 1 12 12 GLY N N 511 104.635 104.635 106.837 -2.202 18466 5939 1 9 . 1 1 12 12 GLY C C 511 172.558 172.558 173.611 -1.053 18466 5940 1 9 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.932 0.573 18466 5941 1 9 . 1 1 12 12 GLY H H 511 7.593 7.593 7.551 0.042 18466 5942 1 9 . 1 1 13 13 ASP N N 512 120.111 120.111 118.161 1.950 18466 5943 1 9 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.712 0.283 18466 5944 1 9 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.375 0.208 18466 5945 1 9 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.394 0.563 18466 5946 1 9 . 1 1 13 13 ASP H H 512 7.065 7.065 7.242 -0.177 18466 5947 1 9 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.448 0.000 18466 5948 1 9 . 1 1 14 14 ASN C C 513 176.736 176.736 176.840 -0.104 18466 5949 1 9 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.941 -0.049 18466 5950 1 9 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.794 -0.709 18466 5951 1 9 . 1 1 15 15 ARG N N 514 118.917 118.917 120.501 -1.584 18466 5952 1 9 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.106 0.063 18466 5953 1 9 . 1 1 15 15 ARG C C 514 176.145 176.145 178.591 -2.446 18466 5954 1 9 . 1 1 15 15 ARG CA C 514 58.062 58.062 58.990 -0.928 18466 5955 1 9 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.187 0.479 18466 5956 1 9 . 1 1 15 15 ARG H H 514 8.581 8.581 7.655 0.926 18466 5957 1 9 . 1 1 16 16 PHE N N 515 113.226 113.226 117.821 -4.595 18466 5958 1 9 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.622 1.157 18466 5959 1 9 . 1 1 16 16 PHE C C 515 176.587 176.587 178.197 -1.610 18466 5960 1 9 . 1 1 16 16 PHE CA C 515 56.064 56.064 57.222 -1.158 18466 5961 1 9 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.901 0.670 18466 5962 1 9 . 1 1 16 16 PHE H H 515 7.600 7.600 9.076 -1.476 18466 5963 1 9 . 1 1 17 17 SER N N 516 116.620 116.620 115.244 1.376 18466 5964 1 9 . 1 1 17 17 SER HA H 516 4.049 4.049 4.319 -0.270 18466 5965 1 9 . 1 1 17 17 SER C C 516 178.564 178.564 176.260 2.304 18466 5966 1 9 . 1 1 17 17 SER CA C 516 62.683 62.683 60.999 1.684 18466 5967 1 9 . 1 1 17 17 SER CB C 516 62.150 62.150 62.771 -0.621 18466 5968 1 9 . 1 1 17 17 SER H H 516 7.532 7.532 7.833 -0.301 18466 5969 1 9 . 1 1 18 18 MET N N 517 124.356 124.356 120.352 4.004 18466 5970 1 9 . 1 1 18 18 MET HA H 517 3.991 3.991 4.102 -0.111 18466 5971 1 9 . 1 1 18 18 MET C C 517 178.066 178.066 177.843 0.223 18466 5972 1 9 . 1 1 18 18 MET CA C 517 59.462 59.462 58.571 0.891 18466 5973 1 9 . 1 1 18 18 MET CB C 517 31.596 31.596 32.414 -0.818 18466 5974 1 9 . 1 1 18 18 MET H H 517 9.291 9.291 7.507 1.784 18466 5975 1 9 . 1 1 19 19 LEU N N 518 123.835 123.835 121.307 2.528 18466 5976 1 9 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.062 -0.141 18466 5977 1 9 . 1 1 19 19 LEU C C 518 178.217 178.217 178.229 -0.012 18466 5978 1 9 . 1 1 19 19 LEU CA C 518 58.140 58.140 58.093 0.047 18466 5979 1 9 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.530 -0.198 18466 5980 1 9 . 1 1 19 19 LEU H H 518 8.615 8.615 7.522 1.093 18466 5981 1 9 . 1 1 20 20 VAL N N 519 118.876 118.876 119.002 -0.126 18466 5982 1 9 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.546 -0.241 18466 5983 1 9 . 1 1 20 20 VAL C C 519 178.174 178.174 177.959 0.215 18466 5984 1 9 . 1 1 20 20 VAL CA C 519 67.850 67.850 66.786 1.064 18466 5985 1 9 . 1 1 20 20 VAL CB C 519 31.701 31.701 31.266 0.435 18466 5986 1 9 . 1 1 20 20 VAL H H 519 9.059 9.059 8.203 0.856 18466 5987 1 9 . 1 1 21 21 ALA N N 520 122.184 122.184 121.591 0.593 18466 5988 1 9 . 1 1 21 21 ALA HA H 520 4.156 4.156 4.036 0.120 18466 5989 1 9 . 1 1 21 21 ALA C C 520 180.310 180.310 179.181 1.129 18466 5990 1 9 . 1 1 21 21 ALA CA C 520 55.066 55.066 55.041 0.025 18466 5991 1 9 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.914 -0.108 18466 5992 1 9 . 1 1 21 21 ALA H H 520 7.482 7.482 7.519 -0.037 18466 5993 1 9 . 1 1 22 22 ALA N N 521 123.379 123.379 122.253 1.126 18466 5994 1 9 . 1 1 22 22 ALA HA H 521 4.102 4.102 3.992 0.110 18466 5995 1 9 . 1 1 22 22 ALA C C 521 178.705 178.705 179.604 -0.899 18466 5996 1 9 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.995 -0.087 18466 5997 1 9 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.298 -0.427 18466 5998 1 9 . 1 1 22 22 ALA H H 521 8.286 8.286 7.711 0.575 18466 5999 1 9 . 1 1 23 23 ILE N N 522 120.263 120.263 119.106 1.157 18466 6000 1 9 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.582 -0.278 18466 6001 1 9 . 1 1 23 23 ILE C C 522 178.025 178.025 177.926 0.099 18466 6002 1 9 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.391 0.588 18466 6003 1 9 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.508 0.859 18466 6004 1 9 . 1 1 23 23 ILE H H 522 8.900 8.900 8.681 0.219 18466 6005 1 9 . 1 1 24 24 GLN N N 523 118.959 118.959 120.556 -1.597 18466 6006 1 9 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.072 0.116 18466 6007 1 9 . 1 1 24 24 GLN C C 523 180.253 180.253 178.711 1.542 18466 6008 1 9 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.710 -0.117 18466 6009 1 9 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.283 -0.651 18466 6010 1 9 . 1 1 24 24 GLN H H 523 7.898 7.898 8.177 -0.279 18466 6011 1 9 . 1 1 25 25 SER N N 524 118.150 118.150 114.849 3.301 18466 6012 1 9 . 1 1 25 25 SER HA H 524 4.188 4.188 4.286 -0.098 18466 6013 1 9 . 1 1 25 25 SER C C 524 175.635 175.635 176.263 -0.628 18466 6014 1 9 . 1 1 25 25 SER CA C 524 61.732 61.732 60.373 1.359 18466 6015 1 9 . 1 1 25 25 SER CB C 524 63.140 63.140 63.190 -0.050 18466 6016 1 9 . 1 1 25 25 SER H H 524 8.405 8.405 7.883 0.522 18466 6017 1 9 . 1 1 26 26 ALA N N 525 119.360 119.360 121.707 -2.347 18466 6018 1 9 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.282 0.086 18466 6019 1 9 . 1 1 26 26 ALA C C 525 176.960 176.960 177.838 -0.878 18466 6020 1 9 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.800 -0.645 18466 6021 1 9 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.619 0.328 18466 6022 1 9 . 1 1 26 26 ALA H H 525 8.277 8.277 7.999 0.278 18466 6023 1 9 . 1 1 27 27 GLY N N 526 105.968 105.968 106.820 -0.852 18466 6024 1 9 . 1 1 27 27 GLY C C 526 176.602 176.602 174.774 1.828 18466 6025 1 9 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.249 1.226 18466 6026 1 9 . 1 1 27 27 GLY H H 526 7.789 7.789 7.727 0.062 18466 6027 1 9 . 1 1 28 28 LEU N N 527 118.466 118.466 117.920 0.546 18466 6028 1 9 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.605 -0.152 18466 6029 1 9 . 1 1 28 28 LEU C C 527 175.805 175.805 177.139 -1.334 18466 6030 1 9 . 1 1 28 28 LEU CA C 527 54.816 54.816 53.726 1.090 18466 6031 1 9 . 1 1 28 28 LEU CB C 527 45.181 45.181 42.087 3.094 18466 6032 1 9 . 1 1 28 28 LEU H H 527 8.088 8.088 8.101 -0.013 18466 6033 1 9 . 1 1 29 29 THR N N 528 118.037 118.037 115.922 2.115 18466 6034 1 9 . 1 1 29 29 THR HA H 528 3.539 3.539 4.048 -0.509 18466 6035 1 9 . 1 1 29 29 THR C C 528 175.526 175.526 176.455 -0.929 18466 6036 1 9 . 1 1 29 29 THR CA C 528 66.828 66.828 66.068 0.760 18466 6037 1 9 . 1 1 29 29 THR CB C 528 68.754 68.754 68.856 -0.102 18466 6038 1 9 . 1 1 29 29 THR H H 528 7.593 7.593 8.186 -0.593 18466 6039 1 9 . 1 1 30 30 GLU N N 529 117.711 117.711 121.689 -3.978 18466 6040 1 9 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.110 -0.138 18466 6041 1 9 . 1 1 30 30 GLU C C 529 179.395 179.395 178.540 0.855 18466 6042 1 9 . 1 1 30 30 GLU CA C 529 59.788 59.788 59.937 -0.149 18466 6043 1 9 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.262 0.197 18466 6044 1 9 . 1 1 30 30 GLU H H 529 8.304 8.304 8.593 -0.289 18466 6045 1 9 . 1 1 31 31 THR N N 530 116.155 116.155 114.557 1.598 18466 6046 1 9 . 1 1 31 31 THR HA H 530 3.756 3.756 4.023 -0.267 18466 6047 1 9 . 1 1 31 31 THR C C 530 175.838 175.838 175.135 0.703 18466 6048 1 9 . 1 1 31 31 THR CA C 530 67.156 67.156 66.145 1.011 18466 6049 1 9 . 1 1 31 31 THR CB C 530 69.159 69.159 68.489 0.670 18466 6050 1 9 . 1 1 31 31 THR H H 530 7.692 7.692 8.305 -0.613 18466 6051 1 9 . 1 1 32 32 LEU N N 531 116.655 116.655 118.707 -2.052 18466 6052 1 9 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.202 -0.281 18466 6053 1 9 . 1 1 32 32 LEU C C 531 176.177 176.177 176.399 -0.222 18466 6054 1 9 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.508 1.045 18466 6055 1 9 . 1 1 32 32 LEU CB C 531 41.533 41.533 40.415 1.118 18466 6056 1 9 . 1 1 32 32 LEU H H 531 7.103 7.103 7.460 -0.357 18466 6057 1 9 . 1 1 33 33 ASN N N 532 118.711 118.711 118.716 -0.005 18466 6058 1 9 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.603 0.373 18466 6059 1 9 . 1 1 33 33 ASN C C 532 174.819 174.819 175.877 -1.058 18466 6060 1 9 . 1 1 33 33 ASN CA C 532 52.121 52.121 54.751 -2.630 18466 6061 1 9 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.662 1.327 18466 6062 1 9 . 1 1 33 33 ASN H H 532 7.735 7.735 7.644 0.091 18466 6063 1 9 . 1 1 34 34 ARG N N 533 119.777 119.777 120.576 -0.799 18466 6064 1 9 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.445 0.084 18466 6065 1 9 . 1 1 34 34 ARG C C 533 175.340 175.340 175.122 0.218 18466 6066 1 9 . 1 1 34 34 ARG CA C 533 55.624 55.624 55.223 0.401 18466 6067 1 9 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.801 1.004 18466 6068 1 9 . 1 1 34 34 ARG H H 533 7.287 7.287 7.749 -0.462 18466 6069 1 9 . 1 1 35 35 GLU N N 534 120.198 120.198 118.711 1.487 18466 6070 1 9 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.507 -0.272 18466 6071 1 9 . 1 1 35 35 GLU C C 534 176.305 176.305 175.806 0.499 18466 6072 1 9 . 1 1 35 35 GLU CA C 534 57.738 57.738 55.699 2.039 18466 6073 1 9 . 1 1 35 35 GLU CB C 534 29.694 29.694 30.607 -0.913 18466 6074 1 9 . 1 1 35 35 GLU H H 534 8.517 8.517 8.364 0.153 18466 6075 1 9 . 1 1 36 36 GLY N N 535 111.018 111.018 106.566 4.452 18466 6076 1 9 . 1 1 36 36 GLY C C 535 170.570 170.570 172.158 -1.588 18466 6077 1 9 . 1 1 36 36 GLY CA C 535 44.825 44.825 44.713 0.112 18466 6078 1 9 . 1 1 36 36 GLY H H 535 7.955 7.955 8.614 -0.659 18466 6079 1 9 . 1 1 37 37 VAL N N 536 114.867 114.867 117.871 -3.004 18466 6080 1 9 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.527 -0.399 18466 6081 1 9 . 1 1 37 37 VAL C C 536 173.020 173.020 173.218 -0.198 18466 6082 1 9 . 1 1 37 37 VAL CA C 536 59.407 59.407 59.673 -0.266 18466 6083 1 9 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.437 0.245 18466 6084 1 9 . 1 1 37 37 VAL H H 536 7.198 7.198 7.766 -0.568 18466 6085 1 9 . 1 1 38 38 TYR N N 537 117.363 117.363 121.291 -3.928 18466 6086 1 9 . 1 1 38 38 TYR HA H 537 5.199 5.199 5.228 -0.029 18466 6087 1 9 . 1 1 38 38 TYR C C 537 176.278 176.278 175.187 1.091 18466 6088 1 9 . 1 1 38 38 TYR CA C 537 56.770 56.770 56.575 0.195 18466 6089 1 9 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.986 -0.442 18466 6090 1 9 . 1 1 38 38 TYR H H 537 7.507 7.507 7.776 -0.269 18466 6091 1 9 . 1 1 39 39 THR N N 538 117.120 117.120 119.219 -2.099 18466 6092 1 9 . 1 1 39 39 THR HA H 538 4.781 4.781 4.813 -0.032 18466 6093 1 9 . 1 1 39 39 THR C C 538 173.406 173.406 173.551 -0.145 18466 6094 1 9 . 1 1 39 39 THR CA C 538 62.197 62.197 62.066 0.131 18466 6095 1 9 . 1 1 39 39 THR CB C 538 70.922 70.922 69.347 1.575 18466 6096 1 9 . 1 1 39 39 THR H H 538 7.906 7.906 9.146 -1.240 18466 6097 1 9 . 1 1 40 40 VAL N N 539 126.768 126.768 126.930 -0.162 18466 6098 1 9 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.884 -0.281 18466 6099 1 9 . 1 1 40 40 VAL C C 539 174.038 174.038 174.279 -0.241 18466 6100 1 9 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.767 0.401 18466 6101 1 9 . 1 1 40 40 VAL CB C 539 33.995 33.995 33.943 0.052 18466 6102 1 9 . 1 1 40 40 VAL H H 539 9.154 9.154 8.463 0.691 18466 6103 1 9 . 1 1 41 41 PHE N N 540 128.517 128.517 126.628 1.889 18466 6104 1 9 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.206 0.125 18466 6105 1 9 . 1 1 41 41 PHE C C 540 173.429 173.429 175.201 -1.772 18466 6106 1 9 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.334 1.348 18466 6107 1 9 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.849 -1.400 18466 6108 1 9 . 1 1 41 41 PHE H H 540 9.087 9.087 8.512 0.575 18466 6109 1 9 . 1 1 42 42 ALA N N 541 125.981 125.981 129.356 -3.375 18466 6110 1 9 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.734 -0.151 18466 6111 1 9 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.248 -0.252 18466 6112 1 9 . 1 1 42 42 ALA CB C 541 23.007 23.007 18.926 4.081 18466 6113 1 9 . 1 1 42 42 ALA H H 541 8.666 8.666 8.225 0.441 18466 6114 1 9 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.214 -0.197 18466 6115 1 9 . 1 1 43 43 PRO C C 542 177.809 177.809 177.378 0.431 18466 6116 1 9 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.215 -1.136 18466 6117 1 9 . 1 1 43 43 PRO CB C 542 31.835 31.835 31.953 -0.118 18466 6118 1 9 . 1 1 44 44 THR N N 543 112.053 112.053 115.080 -3.027 18466 6119 1 9 . 1 1 44 44 THR HA H 543 4.464 4.464 4.504 -0.040 18466 6120 1 9 . 1 1 44 44 THR C C 543 176.413 176.413 176.196 0.217 18466 6121 1 9 . 1 1 44 44 THR CA C 543 60.762 60.762 60.582 0.180 18466 6122 1 9 . 1 1 44 44 THR CB C 543 71.542 71.542 70.186 1.356 18466 6123 1 9 . 1 1 44 44 THR H H 543 7.731 7.731 8.452 -0.721 18466 6124 1 9 . 1 1 45 45 ASN N N 544 119.183 119.183 119.678 -0.495 18466 6125 1 9 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.632 0.068 18466 6126 1 9 . 1 1 45 45 ASN C C 544 178.324 178.324 177.504 0.820 18466 6127 1 9 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.710 -0.404 18466 6128 1 9 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.370 -1.163 18466 6129 1 9 . 1 1 45 45 ASN H H 544 8.883 8.883 8.846 0.037 18466 6130 1 9 . 1 1 46 46 GLU N N 545 118.549 118.549 118.698 -0.149 18466 6131 1 9 . 1 1 46 46 GLU C C 545 178.200 178.200 178.106 0.094 18466 6132 1 9 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.724 0.212 18466 6133 1 9 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.867 0.480 18466 6134 1 9 . 1 1 46 46 GLU H H 545 8.283 8.283 8.896 -0.613 18466 6135 1 9 . 1 1 47 47 ALA N N 546 122.120 122.120 122.041 0.079 18466 6136 1 9 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.083 -0.039 18466 6137 1 9 . 1 1 47 47 ALA C C 546 180.432 180.432 178.955 1.477 18466 6138 1 9 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.506 0.563 18466 6139 1 9 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.385 1.208 18466 6140 1 9 . 1 1 47 47 ALA H H 546 7.485 7.485 7.513 -0.028 18466 6141 1 9 . 1 1 48 48 PHE N N 547 115.213 115.213 116.068 -0.855 18466 6142 1 9 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.414 -0.368 18466 6143 1 9 . 1 1 48 48 PHE C C 547 179.098 179.098 177.340 1.758 18466 6144 1 9 . 1 1 48 48 PHE CA C 547 62.105 62.105 60.688 1.417 18466 6145 1 9 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.806 0.953 18466 6146 1 9 . 1 1 48 48 PHE H H 547 7.363 7.363 7.465 -0.102 18466 6147 1 9 . 1 1 49 49 ARG N N 548 118.451 118.451 120.786 -2.335 18466 6148 1 9 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.091 -0.102 18466 6149 1 9 . 1 1 49 49 ARG C C 548 176.382 176.382 177.816 -1.434 18466 6150 1 9 . 1 1 49 49 ARG CA C 548 58.915 58.915 57.831 1.083 18466 6151 1 9 . 1 1 49 49 ARG CB C 548 30.150 30.150 29.730 0.420 18466 6152 1 9 . 1 1 49 49 ARG H H 548 8.266 8.266 8.245 0.021 18466 6153 1 9 . 1 1 50 50 ALA N N 549 118.978 118.978 121.450 -2.472 18466 6154 1 9 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.241 0.038 18466 6155 1 9 . 1 1 50 50 ALA C C 549 178.745 178.745 177.629 1.116 18466 6156 1 9 . 1 1 50 50 ALA CA C 549 52.652 52.652 53.315 -0.662 18466 6157 1 9 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.101 -0.154 18466 6158 1 9 . 1 1 50 50 ALA H H 549 7.416 7.416 7.848 -0.432 18466 6159 1 9 . 1 1 51 51 LEU N N 550 119.842 119.842 118.522 1.320 18466 6160 1 9 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.945 -0.414 18466 6161 1 9 . 1 1 51 51 LEU CA C 550 53.313 53.313 51.508 1.804 18466 6162 1 9 . 1 1 51 51 LEU CB C 550 42.418 42.418 42.872 -0.454 18466 6163 1 9 . 1 1 51 51 LEU H H 550 7.138 7.138 7.410 -0.272 18466 6164 1 9 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.942 -0.153 18466 6165 1 9 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.170 0.614 18466 6166 1 9 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.212 0.130 18466 6167 1 9 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.206 -0.091 18466 6168 1 9 . 1 1 53 53 PRO CA C 552 66.346 66.346 66.029 0.317 18466 6169 1 9 . 1 1 53 53 PRO CB C 552 33.383 33.383 32.010 1.373 18466 6170 1 9 . 1 1 54 54 ARG C C 553 179.024 179.024 178.618 0.406 18466 6171 1 9 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.186 0.268 18466 6172 1 9 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.431 0.263 18466 6173 1 9 . 1 1 55 55 GLU N N 554 119.712 119.712 117.616 2.096 18466 6174 1 9 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.180 0.186 18466 6175 1 9 . 1 1 55 55 GLU C C 554 178.437 178.437 179.025 -0.588 18466 6176 1 9 . 1 1 55 55 GLU CA C 554 58.362 58.362 59.583 -1.221 18466 6177 1 9 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.125 0.602 18466 6178 1 9 . 1 1 55 55 GLU H H 554 7.526 7.526 8.550 -1.024 18466 6179 1 9 . 1 1 56 56 ARG N N 555 120.112 120.112 119.507 0.605 18466 6180 1 9 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.048 -0.203 18466 6181 1 9 . 1 1 56 56 ARG C C 555 177.902 177.902 178.580 -0.678 18466 6182 1 9 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.491 0.871 18466 6183 1 9 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.722 0.573 18466 6184 1 9 . 1 1 56 56 ARG H H 555 8.452 8.452 8.732 -0.280 18466 6185 1 9 . 1 1 57 57 SER N N 556 111.829 111.829 114.898 -3.069 18466 6186 1 9 . 1 1 57 57 SER HA H 556 4.138 4.138 4.236 -0.098 18466 6187 1 9 . 1 1 57 57 SER C C 556 177.151 177.151 176.904 0.247 18466 6188 1 9 . 1 1 57 57 SER CA C 556 61.661 61.661 61.530 0.131 18466 6189 1 9 . 1 1 57 57 SER CB C 556 62.874 62.874 62.930 -0.056 18466 6190 1 9 . 1 1 57 57 SER H H 556 8.200 8.200 8.393 -0.193 18466 6191 1 9 . 1 1 58 58 ARG N N 557 122.459 122.459 121.120 1.339 18466 6192 1 9 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.066 0.002 18466 6193 1 9 . 1 1 58 58 ARG C C 557 178.190 178.190 178.874 -0.684 18466 6194 1 9 . 1 1 58 58 ARG CA C 557 59.121 59.121 58.347 0.774 18466 6195 1 9 . 1 1 58 58 ARG CB C 557 30.508 30.508 29.800 0.708 18466 6196 1 9 . 1 1 58 58 ARG H H 557 7.589 7.589 7.476 0.113 18466 6197 1 9 . 1 1 59 59 LEU N N 558 117.826 117.826 120.550 -2.724 18466 6198 1 9 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.225 -0.116 18466 6199 1 9 . 1 1 59 59 LEU C C 558 177.217 177.217 179.024 -1.807 18466 6200 1 9 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.734 0.044 18466 6201 1 9 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.144 0.284 18466 6202 1 9 . 1 1 59 59 LEU H H 558 8.034 8.034 7.906 0.128 18466 6203 1 9 . 1 1 60 60 LEU N N 559 112.187 112.187 114.284 -2.097 18466 6204 1 9 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.444 -0.233 18466 6205 1 9 . 1 1 60 60 LEU C C 559 179.037 179.037 178.335 0.702 18466 6206 1 9 . 1 1 60 60 LEU CA C 559 56.250 56.250 56.245 0.005 18466 6207 1 9 . 1 1 60 60 LEU CB C 559 41.186 41.186 40.893 0.293 18466 6208 1 9 . 1 1 60 60 LEU H H 559 7.844 7.844 8.397 -0.553 18466 6209 1 9 . 1 1 61 61 GLY N N 560 104.550 104.550 106.960 -2.410 18466 6210 1 9 . 1 1 61 61 GLY C C 560 173.292 173.292 174.209 -0.917 18466 6211 1 9 . 1 1 61 61 GLY CA C 560 45.525 45.525 45.609 -0.084 18466 6212 1 9 . 1 1 61 61 GLY H H 560 7.565 7.565 7.756 -0.191 18466 6213 1 9 . 1 1 62 62 ASP N N 561 120.720 120.720 120.359 0.361 18466 6214 1 9 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.808 0.088 18466 6215 1 9 . 1 1 62 62 ASP C C 561 174.791 174.791 175.785 -0.994 18466 6216 1 9 . 1 1 62 62 ASP CA C 561 52.557 52.557 52.488 0.069 18466 6217 1 9 . 1 1 62 62 ASP CB C 561 42.146 42.146 42.491 -0.345 18466 6218 1 9 . 1 1 62 62 ASP H H 561 7.255 7.255 7.610 -0.355 18466 6219 1 9 . 1 1 63 63 ALA N N 562 126.814 126.814 130.086 -3.272 18466 6220 1 9 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.025 0.016 18466 6221 1 9 . 1 1 63 63 ALA C C 562 180.100 180.100 178.753 1.347 18466 6222 1 9 . 1 1 63 63 ALA CA C 562 55.682 55.682 55.247 0.435 18466 6223 1 9 . 1 1 63 63 ALA CB C 562 18.903 18.903 18.821 0.082 18466 6224 1 9 . 1 1 63 63 ALA H H 562 8.674 8.674 8.883 -0.209 18466 6225 1 9 . 1 1 64 64 LYS N N 563 118.169 118.169 118.997 -0.828 18466 6226 1 9 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.018 0.139 18466 6227 1 9 . 1 1 64 64 LYS C C 563 179.513 179.513 178.575 0.938 18466 6228 1 9 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.646 -0.242 18466 6229 1 9 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.476 -0.510 18466 6230 1 9 . 1 1 64 64 LYS H H 563 8.143 8.143 7.936 0.207 18466 6231 1 9 . 1 1 65 65 GLU N N 564 121.540 121.540 120.025 1.515 18466 6232 1 9 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.121 0.144 18466 6233 1 9 . 1 1 65 65 GLU C C 564 179.400 179.400 179.114 0.286 18466 6234 1 9 . 1 1 65 65 GLU CA C 564 58.381 58.381 58.924 -0.543 18466 6235 1 9 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.588 -0.326 18466 6236 1 9 . 1 1 65 65 GLU H H 564 7.812 7.812 8.822 -1.010 18466 6237 1 9 . 1 1 66 66 LEU N N 565 120.816 120.816 120.964 -0.148 18466 6238 1 9 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.981 0.133 18466 6239 1 9 . 1 1 66 66 LEU C C 565 178.632 178.632 178.651 -0.019 18466 6240 1 9 . 1 1 66 66 LEU CA C 565 58.006 58.006 58.179 -0.173 18466 6241 1 9 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.819 -0.418 18466 6242 1 9 . 1 1 66 66 LEU H H 565 8.757 8.757 8.010 0.747 18466 6243 1 9 . 1 1 67 67 ALA N N 566 118.909 118.909 120.160 -1.251 18466 6244 1 9 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.941 -0.025 18466 6245 1 9 . 1 1 67 67 ALA C C 566 178.874 178.874 179.353 -0.479 18466 6246 1 9 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.030 0.937 18466 6247 1 9 . 1 1 67 67 ALA CB C 566 18.119 18.119 17.987 0.132 18466 6248 1 9 . 1 1 67 67 ALA H H 566 8.058 8.058 8.157 -0.099 18466 6249 1 9 . 1 1 68 68 ASN N N 567 115.314 115.314 117.909 -2.595 18466 6250 1 9 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.486 -0.044 18466 6251 1 9 . 1 1 68 68 ASN C C 567 176.598 176.598 177.796 -1.198 18466 6252 1 9 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.477 0.669 18466 6253 1 9 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.804 0.228 18466 6254 1 9 . 1 1 68 68 ASN H H 567 7.478 7.478 8.106 -0.628 18466 6255 1 9 . 1 1 69 69 ILE N N 568 117.111 117.111 119.774 -2.663 18466 6256 1 9 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.975 0.021 18466 6257 1 9 . 1 1 69 69 ILE C C 568 179.707 179.707 178.331 1.376 18466 6258 1 9 . 1 1 69 69 ILE CA C 568 63.604 63.604 63.078 0.526 18466 6259 1 9 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.203 0.225 18466 6260 1 9 . 1 1 69 69 ILE H H 568 8.027 8.027 8.070 -0.043 18466 6261 1 9 . 1 1 70 70 LEU N N 569 121.388 121.388 121.551 -0.163 18466 6262 1 9 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.144 -0.044 18466 6263 1 9 . 1 1 70 70 LEU C C 569 179.729 179.729 180.143 -0.414 18466 6264 1 9 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.791 0.801 18466 6265 1 9 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.389 0.525 18466 6266 1 9 . 1 1 70 70 LEU H H 569 8.985 8.985 8.257 0.728 18466 6267 1 9 . 1 1 71 71 LYS N N 570 116.226 116.226 119.614 -3.388 18466 6268 1 9 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.090 -0.152 18466 6269 1 9 . 1 1 71 71 LYS C C 570 177.620 177.620 177.983 -0.363 18466 6270 1 9 . 1 1 71 71 LYS CA C 570 60.800 60.800 58.926 1.874 18466 6271 1 9 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.416 0.025 18466 6272 1 9 . 1 1 71 71 LYS H H 570 8.525 8.525 8.349 0.176 18466 6273 1 9 . 1 1 72 72 TYR N N 571 120.076 120.076 118.119 1.957 18466 6274 1 9 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.448 0.176 18466 6275 1 9 . 1 1 72 72 TYR C C 571 171.915 171.915 176.728 -4.813 18466 6276 1 9 . 1 1 72 72 TYR CA C 571 58.886 58.886 59.467 -0.581 18466 6277 1 9 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.650 0.113 18466 6278 1 9 . 1 1 72 72 TYR H H 571 7.624 7.624 7.769 -0.145 18466 6279 1 9 . 1 1 73 73 HIS N N 572 108.895 108.895 116.671 -7.776 18466 6280 1 9 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.516 -0.325 18466 6281 1 9 . 1 1 73 73 HIS C C 572 173.852 173.852 174.042 -0.190 18466 6282 1 9 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.777 0.093 18466 6283 1 9 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.626 -2.468 18466 6284 1 9 . 1 1 73 73 HIS H H 572 7.532 7.532 7.800 -0.268 18466 6285 1 9 . 1 1 74 74 ILE N N 573 117.580 117.580 119.329 -1.749 18466 6286 1 9 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.641 0.568 18466 6287 1 9 . 1 1 74 74 ILE C C 573 175.691 175.691 174.734 0.957 18466 6288 1 9 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.348 -0.721 18466 6289 1 9 . 1 1 74 74 ILE CB C 573 40.690 40.690 39.541 1.149 18466 6290 1 9 . 1 1 74 74 ILE H H 573 7.310 7.310 7.335 -0.025 18466 6291 1 9 . 1 1 75 75 GLY N N 574 111.704 111.704 113.078 -1.374 18466 6292 1 9 . 1 1 75 75 GLY C C 574 173.963 173.963 174.025 -0.062 18466 6293 1 9 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.598 0.337 18466 6294 1 9 . 1 1 75 75 GLY H H 574 10.187 10.187 9.198 0.989 18466 6295 1 9 . 1 1 76 76 ASP N N 575 120.565 120.565 119.541 1.024 18466 6296 1 9 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.699 0.069 18466 6297 1 9 . 1 1 76 76 ASP C C 575 174.774 174.774 175.712 -0.938 18466 6298 1 9 . 1 1 76 76 ASP CA C 575 53.727 53.727 53.795 -0.068 18466 6299 1 9 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.645 -0.809 18466 6300 1 9 . 1 1 76 76 ASP H H 575 8.356 8.356 8.608 -0.252 18466 6301 1 9 . 1 1 77 77 GLU N N 576 114.303 114.303 116.716 -2.413 18466 6302 1 9 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.527 -0.056 18466 6303 1 9 . 1 1 77 77 GLU C C 576 175.374 175.374 175.473 -0.099 18466 6304 1 9 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.347 0.140 18466 6305 1 9 . 1 1 77 77 GLU CB C 576 33.319 33.319 32.716 0.603 18466 6306 1 9 . 1 1 77 77 GLU H H 576 7.271 7.271 7.764 -0.493 18466 6307 1 9 . 1 1 78 78 ILE N N 577 120.967 120.967 124.521 -3.554 18466 6308 1 9 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.611 -1.034 18466 6309 1 9 . 1 1 78 78 ILE C C 577 174.824 174.824 175.784 -0.960 18466 6310 1 9 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.350 0.978 18466 6311 1 9 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.288 0.121 18466 6312 1 9 . 1 1 78 78 ILE H H 577 8.498 8.498 8.613 -0.115 18466 6313 1 9 . 1 1 79 79 LEU N N 578 132.772 132.772 131.562 1.210 18466 6314 1 9 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.814 -0.042 18466 6315 1 9 . 1 1 79 79 LEU C C 578 174.159 174.159 175.080 -0.921 18466 6316 1 9 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.617 0.280 18466 6317 1 9 . 1 1 79 79 LEU CB C 578 44.049 44.049 43.850 0.199 18466 6318 1 9 . 1 1 79 79 LEU H H 578 7.992 7.992 8.167 -0.175 18466 6319 1 9 . 1 1 80 80 VAL N N 579 118.382 118.382 121.768 -3.386 18466 6320 1 9 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.712 0.059 18466 6321 1 9 . 1 1 80 80 VAL C C 579 178.418 178.418 176.649 1.769 18466 6322 1 9 . 1 1 80 80 VAL CA C 579 59.503 59.503 60.357 -0.854 18466 6323 1 9 . 1 1 80 80 VAL CB C 579 33.434 33.434 33.476 -0.042 18466 6324 1 9 . 1 1 80 80 VAL H H 579 7.954 7.954 8.123 -0.169 18466 6325 1 9 . 1 1 81 81 SER N N 580 121.875 121.875 118.953 2.922 18466 6326 1 9 . 1 1 81 81 SER HA H 580 3.838 3.838 4.207 -0.369 18466 6327 1 9 . 1 1 81 81 SER C C 580 177.145 177.145 176.365 0.780 18466 6328 1 9 . 1 1 81 81 SER CA C 580 62.909 62.909 60.659 2.250 18466 6329 1 9 . 1 1 81 81 SER CB C 580 62.215 62.215 62.693 -0.478 18466 6330 1 9 . 1 1 81 81 SER H H 580 11.083 11.083 8.810 2.273 18466 6331 1 9 . 1 1 82 82 GLY N N 581 107.458 107.458 108.123 -0.665 18466 6332 1 9 . 1 1 82 82 GLY C C 581 174.750 174.750 175.152 -0.402 18466 6333 1 9 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.323 0.616 18466 6334 1 9 . 1 1 82 82 GLY H H 581 8.277 8.277 8.357 -0.080 18466 6335 1 9 . 1 1 83 83 GLY N N 582 107.852 107.852 108.021 -0.169 18466 6336 1 9 . 1 1 83 83 GLY C C 582 174.378 174.378 175.176 -0.798 18466 6337 1 9 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.233 0.293 18466 6338 1 9 . 1 1 83 83 GLY H H 582 8.246 8.246 7.595 0.651 18466 6339 1 9 . 1 1 84 84 ILE N N 583 120.968 120.968 121.067 -0.099 18466 6340 1 9 . 1 1 84 84 ILE HA H 583 3.817 3.817 3.686 0.131 18466 6341 1 9 . 1 1 84 84 ILE C C 583 175.640 175.640 177.112 -1.472 18466 6342 1 9 . 1 1 84 84 ILE CA C 583 62.947 62.947 63.874 -0.927 18466 6343 1 9 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.496 0.592 18466 6344 1 9 . 1 1 84 84 ILE H H 583 7.306 7.306 7.216 0.090 18466 6345 1 9 . 1 1 85 85 GLY N N 584 112.093 112.093 106.422 5.671 18466 6346 1 9 . 1 1 85 85 GLY C C 584 173.086 173.086 173.882 -0.796 18466 6347 1 9 . 1 1 85 85 GLY CA C 584 45.544 45.544 46.186 -0.642 18466 6348 1 9 . 1 1 85 85 GLY H H 584 7.947 7.947 8.067 -0.120 18466 6349 1 9 . 1 1 86 86 ALA N N 585 125.044 125.044 125.426 -0.382 18466 6350 1 9 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.589 -0.275 18466 6351 1 9 . 1 1 86 86 ALA C C 585 177.355 177.355 175.769 1.586 18466 6352 1 9 . 1 1 86 86 ALA CA C 585 54.149 54.149 52.038 2.111 18466 6353 1 9 . 1 1 86 86 ALA CB C 585 19.671 19.671 21.157 -1.486 18466 6354 1 9 . 1 1 86 86 ALA H H 585 8.295 8.295 7.898 0.397 18466 6355 1 9 . 1 1 87 87 LEU N N 586 118.525 118.525 118.290 0.235 18466 6356 1 9 . 1 1 87 87 LEU HA H 586 4.713 4.713 4.866 -0.153 18466 6357 1 9 . 1 1 87 87 LEU C C 586 175.568 175.568 174.891 0.677 18466 6358 1 9 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.579 1.585 18466 6359 1 9 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.526 -1.831 18466 6360 1 9 . 1 1 87 87 LEU H H 586 7.804 7.804 8.015 -0.211 18466 6361 1 9 . 1 1 88 88 VAL N N 587 128.017 128.017 124.458 3.559 18466 6362 1 9 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.443 -0.140 18466 6363 1 9 . 1 1 88 88 VAL C C 587 174.137 174.137 174.297 -0.160 18466 6364 1 9 . 1 1 88 88 VAL CA C 587 61.394 61.394 60.747 0.647 18466 6365 1 9 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.748 -0.033 18466 6366 1 9 . 1 1 88 88 VAL H H 587 9.514 9.514 9.253 0.261 18466 6367 1 9 . 1 1 89 89 ARG N N 588 125.361 125.361 126.044 -0.683 18466 6368 1 9 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.649 0.615 18466 6369 1 9 . 1 1 89 89 ARG C C 588 174.993 174.993 175.109 -0.116 18466 6370 1 9 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.645 -0.878 18466 6371 1 9 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.558 -0.423 18466 6372 1 9 . 1 1 89 89 ARG H H 588 8.616 8.616 8.691 -0.075 18466 6373 1 9 . 1 1 90 90 LEU N N 589 128.011 128.011 126.405 1.606 18466 6374 1 9 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.712 -0.144 18466 6375 1 9 . 1 1 90 90 LEU C C 589 174.937 174.937 175.131 -0.194 18466 6376 1 9 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.297 -0.128 18466 6377 1 9 . 1 1 90 90 LEU CB C 589 46.013 46.013 43.400 2.613 18466 6378 1 9 . 1 1 90 90 LEU H H 589 8.814 8.814 8.933 -0.119 18466 6379 1 9 . 1 1 91 91 LYS N N 590 129.467 129.467 127.570 1.897 18466 6380 1 9 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.705 -0.677 18466 6381 1 9 . 1 1 91 91 LYS C C 590 174.523 174.523 176.406 -1.883 18466 6382 1 9 . 1 1 91 91 LYS CA C 590 58.450 58.450 56.219 2.231 18466 6383 1 9 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.578 -1.180 18466 6384 1 9 . 1 1 91 91 LYS H H 590 9.414 9.414 8.839 0.575 18466 6385 1 9 . 1 1 92 92 SER N N 591 121.877 121.877 119.238 2.639 18466 6386 1 9 . 1 1 92 92 SER HA H 591 5.622 5.622 5.238 0.384 18466 6387 1 9 . 1 1 92 92 SER C C 591 178.072 178.072 176.218 1.854 18466 6388 1 9 . 1 1 92 92 SER CA C 591 58.281 58.281 56.783 1.498 18466 6389 1 9 . 1 1 92 92 SER CB C 591 67.446 67.446 65.330 2.116 18466 6390 1 9 . 1 1 92 92 SER H H 591 7.965 7.965 8.527 -0.562 18466 6391 1 9 . 1 1 93 93 LEU N N 592 121.378 121.378 121.863 -0.485 18466 6392 1 9 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.164 0.139 18466 6393 1 9 . 1 1 93 93 LEU C C 592 178.509 178.509 178.180 0.329 18466 6394 1 9 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.566 -0.302 18466 6395 1 9 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.574 -0.183 18466 6396 1 9 . 1 1 93 93 LEU H H 592 9.327 9.327 8.662 0.665 18466 6397 1 9 . 1 1 94 94 GLN N N 593 119.354 119.354 116.495 2.859 18466 6398 1 9 . 1 1 94 94 GLN C C 593 176.197 176.197 177.163 -0.966 18466 6399 1 9 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.504 -1.006 18466 6400 1 9 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.574 -2.295 18466 6401 1 9 . 1 1 94 94 GLN H H 593 7.526 7.526 7.658 -0.132 18466 6402 1 9 . 1 1 95 95 GLY N N 594 109.497 109.497 106.931 2.566 18466 6403 1 9 . 1 1 95 95 GLY C C 594 174.379 174.379 174.695 -0.316 18466 6404 1 9 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.756 0.712 18466 6405 1 9 . 1 1 95 95 GLY H H 594 7.632 7.632 7.743 -0.111 18466 6406 1 9 . 1 1 96 96 ASP N N 595 121.403 121.403 121.831 -0.428 18466 6407 1 9 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.823 0.077 18466 6408 1 9 . 1 1 96 96 ASP C C 595 177.399 177.399 175.671 1.728 18466 6409 1 9 . 1 1 96 96 ASP CA C 595 54.569 54.569 54.308 0.261 18466 6410 1 9 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.675 -1.384 18466 6411 1 9 . 1 1 96 96 ASP H H 595 8.835 8.835 8.024 0.811 18466 6412 1 9 . 1 1 97 97 LYS N N 596 119.362 119.362 118.742 0.620 18466 6413 1 9 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.807 0.237 18466 6414 1 9 . 1 1 97 97 LYS C C 596 176.620 176.620 175.743 0.877 18466 6415 1 9 . 1 1 97 97 LYS CA C 596 56.128 56.128 55.384 0.744 18466 6416 1 9 . 1 1 97 97 LYS CB C 596 33.880 33.880 33.452 0.429 18466 6417 1 9 . 1 1 97 97 LYS H H 596 9.018 9.018 8.465 0.553 18466 6418 1 9 . 1 1 98 98 LEU N N 597 125.543 125.543 125.841 -0.298 18466 6419 1 9 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.366 -0.012 18466 6420 1 9 . 1 1 98 98 LEU C C 597 176.218 176.218 176.476 -0.258 18466 6421 1 9 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.835 0.102 18466 6422 1 9 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.905 2.209 18466 6423 1 9 . 1 1 98 98 LEU H H 597 9.304 9.304 9.184 0.120 18466 6424 1 9 . 1 1 99 99 GLU N N 598 121.122 121.122 126.116 -4.994 18466 6425 1 9 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.265 0.373 18466 6426 1 9 . 1 1 99 99 GLU C C 598 175.099 175.099 175.059 0.040 18466 6427 1 9 . 1 1 99 99 GLU CA C 598 55.729 55.729 56.338 -0.609 18466 6428 1 9 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.509 1.044 18466 6429 1 9 . 1 1 99 99 GLU H H 598 8.314 8.314 9.000 -0.686 18466 6430 1 9 . 1 1 100 100 VAL N N 599 130.705 130.705 128.356 2.349 18466 6431 1 9 . 1 1 100 100 VAL HA H 599 5.043 5.043 5.105 -0.062 18466 6432 1 9 . 1 1 100 100 VAL C C 599 173.758 173.758 174.650 -0.892 18466 6433 1 9 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.668 -0.562 18466 6434 1 9 . 1 1 100 100 VAL CB C 599 32.772 32.772 32.971 -0.199 18466 6435 1 9 . 1 1 100 100 VAL H H 599 9.330 9.330 8.030 1.300 18466 6436 1 9 . 1 1 101 101 SER N N 600 119.932 119.932 121.197 -1.265 18466 6437 1 9 . 1 1 101 101 SER HA H 600 4.942 4.942 4.865 0.077 18466 6438 1 9 . 1 1 101 101 SER C C 600 171.934 171.934 172.053 -0.119 18466 6439 1 9 . 1 1 101 101 SER CA C 600 56.624 56.624 56.708 -0.084 18466 6440 1 9 . 1 1 101 101 SER CB C 600 67.420 67.420 66.294 1.126 18466 6441 1 9 . 1 1 101 101 SER H H 600 9.016 9.016 8.684 0.332 18466 6442 1 9 . 1 1 102 102 LEU N N 601 122.984 122.984 123.672 -0.688 18466 6443 1 9 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.092 -0.045 18466 6444 1 9 . 1 1 102 102 LEU C C 601 175.753 175.753 175.209 0.544 18466 6445 1 9 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.785 -0.492 18466 6446 1 9 . 1 1 102 102 LEU CB C 601 45.099 45.099 44.766 0.333 18466 6447 1 9 . 1 1 102 102 LEU H H 601 7.919 7.919 7.971 -0.052 18466 6448 1 9 . 1 1 103 103 LYS N N 602 126.471 126.471 127.558 -1.087 18466 6449 1 9 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.636 -0.181 18466 6450 1 9 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.388 0.310 18466 6451 1 9 . 1 1 103 103 LYS CB C 602 35.012 35.012 34.272 0.740 18466 6452 1 9 . 1 1 103 103 LYS H H 602 8.335 8.335 9.172 -0.837 18466 6453 1 9 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.413 -0.120 18466 6454 1 9 . 1 1 104 104 ASN C C 603 174.155 174.155 174.721 -0.566 18466 6455 1 9 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.095 0.652 18466 6456 1 9 . 1 1 104 104 ASN CB C 603 37.176 37.176 36.400 0.776 18466 6457 1 9 . 1 1 105 105 ASN N N 604 108.810 108.810 110.084 -1.274 18466 6458 1 9 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.331 -0.164 18466 6459 1 9 . 1 1 105 105 ASN C C 604 173.758 173.758 173.803 -0.045 18466 6460 1 9 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.458 0.717 18466 6461 1 9 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.525 -0.318 18466 6462 1 9 . 1 1 105 105 ASN H H 604 8.680 8.680 8.472 0.208 18466 6463 1 9 . 1 1 106 106 VAL N N 605 121.572 121.572 119.317 2.255 18466 6464 1 9 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.431 -0.143 18466 6465 1 9 . 1 1 106 106 VAL C C 605 176.336 176.336 174.331 2.005 18466 6466 1 9 . 1 1 106 106 VAL CA C 605 62.139 62.139 60.638 1.501 18466 6467 1 9 . 1 1 106 106 VAL CB C 605 34.436 34.436 35.049 -0.613 18466 6468 1 9 . 1 1 106 106 VAL H H 605 7.908 7.908 7.422 0.486 18466 6469 1 9 . 1 1 107 107 VAL N N 606 133.223 133.223 128.717 4.506 18466 6470 1 9 . 1 1 107 107 VAL HA H 606 4.627 4.627 5.090 -0.463 18466 6471 1 9 . 1 1 107 107 VAL C C 606 174.704 174.704 174.606 0.098 18466 6472 1 9 . 1 1 107 107 VAL CA C 606 61.787 61.787 60.349 1.438 18466 6473 1 9 . 1 1 107 107 VAL CB C 606 32.211 32.211 33.438 -1.227 18466 6474 1 9 . 1 1 107 107 VAL H H 606 9.418 9.418 8.607 0.811 18466 6475 1 9 . 1 1 108 108 SER N N 607 120.743 120.743 124.137 -3.394 18466 6476 1 9 . 1 1 108 108 SER HA H 607 5.365 5.365 5.220 0.145 18466 6477 1 9 . 1 1 108 108 SER C C 607 171.934 171.934 172.135 -0.201 18466 6478 1 9 . 1 1 108 108 SER CA C 607 56.958 56.958 57.151 -0.193 18466 6479 1 9 . 1 1 108 108 SER CB C 607 66.469 66.469 66.929 -0.460 18466 6480 1 9 . 1 1 108 108 SER H H 607 9.123 9.123 8.470 0.653 18466 6481 1 9 . 1 1 109 109 VAL N N 608 121.138 121.138 122.617 -1.479 18466 6482 1 9 . 1 1 109 109 VAL HA H 608 4.780 4.780 5.137 -0.357 18466 6483 1 9 . 1 1 109 109 VAL C C 608 173.903 173.903 175.009 -1.106 18466 6484 1 9 . 1 1 109 109 VAL CA C 608 57.399 57.399 59.690 -2.291 18466 6485 1 9 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.356 0.606 18466 6486 1 9 . 1 1 109 109 VAL H H 608 9.144 9.144 8.863 0.281 18466 6487 1 9 . 1 1 110 110 ASN N N 609 128.266 128.266 127.796 0.470 18466 6488 1 9 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.285 -0.020 18466 6489 1 9 . 1 1 110 110 ASN C C 609 175.296 175.296 174.806 0.490 18466 6490 1 9 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.760 -0.752 18466 6491 1 9 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.611 -0.690 18466 6492 1 9 . 1 1 110 110 ASN H H 609 9.783 9.783 9.287 0.496 18466 6493 1 9 . 1 1 111 111 LYS N N 610 107.513 107.513 110.293 -2.780 18466 6494 1 9 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.919 -0.271 18466 6495 1 9 . 1 1 111 111 LYS C C 610 175.617 175.617 176.107 -0.490 18466 6496 1 9 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.576 -0.173 18466 6497 1 9 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.486 -0.965 18466 6498 1 9 . 1 1 111 111 LYS H H 610 8.302 8.302 8.467 -0.165 18466 6499 1 9 . 1 1 112 112 GLU N N 611 125.401 125.401 120.212 5.189 18466 6500 1 9 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.657 0.142 18466 6501 1 9 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.550 -0.644 18466 6502 1 9 . 1 1 112 112 GLU H H 611 8.565 8.565 7.409 1.156 18466 6503 1 9 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.387 0.299 18466 6504 1 9 . 1 1 113 113 PRO C C 612 177.464 177.464 176.319 1.145 18466 6505 1 9 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.710 -0.047 18466 6506 1 9 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.132 0.020 18466 6507 1 9 . 1 1 114 114 VAL N N 613 124.842 124.842 122.693 2.149 18466 6508 1 9 . 1 1 114 114 VAL HA H 613 4.284 4.284 3.999 0.285 18466 6509 1 9 . 1 1 114 114 VAL C C 613 176.520 176.520 175.939 0.581 18466 6510 1 9 . 1 1 114 114 VAL CA C 613 62.290 62.290 62.325 -0.035 18466 6511 1 9 . 1 1 114 114 VAL CB C 613 32.203 32.203 32.573 -0.370 18466 6512 1 9 . 1 1 114 114 VAL H H 613 9.226 9.226 8.189 1.037 18466 6513 1 9 . 1 1 115 115 ALA N N 614 132.511 132.511 131.740 0.771 18466 6514 1 9 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.328 0.009 18466 6515 1 9 . 1 1 115 115 ALA C C 614 178.395 178.395 177.114 1.281 18466 6516 1 9 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.491 0.531 18466 6517 1 9 . 1 1 115 115 ALA CB C 614 19.663 19.663 20.129 -0.466 18466 6518 1 9 . 1 1 115 115 ALA H H 614 8.910 8.910 8.995 -0.085 18466 6519 1 9 . 1 1 116 116 GLU N N 615 115.091 115.091 116.611 -1.520 18466 6520 1 9 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.785 0.088 18466 6521 1 9 . 1 1 116 116 GLU CA C 615 53.488 53.488 54.161 -0.673 18466 6522 1 9 . 1 1 116 116 GLU H H 615 6.869 6.869 7.800 -0.931 18466 6523 1 9 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.113 0.531 18466 6524 1 9 . 1 1 117 117 PRO C C 616 177.124 177.124 176.303 0.821 18466 6525 1 9 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.549 -0.511 18466 6526 1 9 . 1 1 117 117 PRO CB C 616 33.662 33.662 32.731 0.931 18466 6527 1 9 . 1 1 118 118 ASP N N 617 114.361 114.361 118.603 -4.242 18466 6528 1 9 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.131 -0.246 18466 6529 1 9 . 1 1 118 118 ASP C C 617 174.982 174.982 174.875 0.107 18466 6530 1 9 . 1 1 118 118 ASP CA C 617 54.875 54.875 54.977 -0.102 18466 6531 1 9 . 1 1 118 118 ASP CB C 617 37.661 37.661 40.345 -2.684 18466 6532 1 9 . 1 1 118 118 ASP H H 617 9.745 9.745 8.155 1.590 18466 6533 1 9 . 1 1 119 119 ILE N N 618 121.057 121.057 120.642 0.415 18466 6534 1 9 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.276 -0.237 18466 6535 1 9 . 1 1 119 119 ILE C C 618 175.857 175.857 175.125 0.732 18466 6536 1 9 . 1 1 119 119 ILE CA C 618 62.841 62.841 60.567 2.274 18466 6537 1 9 . 1 1 119 119 ILE CB C 618 36.496 36.496 39.059 -2.563 18466 6538 1 9 . 1 1 119 119 ILE H H 618 8.754 8.754 7.847 0.907 18466 6539 1 9 . 1 1 120 120 MET N N 619 125.664 125.664 127.600 -1.936 18466 6540 1 9 . 1 1 120 120 MET HA H 619 4.604 4.604 4.505 0.099 18466 6541 1 9 . 1 1 120 120 MET C C 619 174.825 174.825 174.998 -0.173 18466 6542 1 9 . 1 1 120 120 MET CA C 619 55.006 55.006 54.593 0.413 18466 6543 1 9 . 1 1 120 120 MET CB C 619 31.457 31.457 31.570 -0.113 18466 6544 1 9 . 1 1 120 120 MET H H 619 8.077 8.077 8.844 -0.767 18466 6545 1 9 . 1 1 121 121 ALA N N 620 122.929 122.929 125.741 -2.812 18466 6546 1 9 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.861 0.034 18466 6547 1 9 . 1 1 121 121 ALA C C 620 177.945 177.945 177.867 0.078 18466 6548 1 9 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.917 -0.894 18466 6549 1 9 . 1 1 121 121 ALA CB C 620 23.030 23.030 22.698 0.332 18466 6550 1 9 . 1 1 121 121 ALA H H 620 8.386 8.386 8.255 0.131 18466 6551 1 9 . 1 1 122 122 THR N N 621 111.051 111.051 115.211 -4.160 18466 6552 1 9 . 1 1 122 122 THR HA H 621 4.046 4.046 4.168 -0.122 18466 6553 1 9 . 1 1 122 122 THR C C 621 176.366 176.366 174.808 1.558 18466 6554 1 9 . 1 1 122 122 THR CA C 621 64.526 64.526 64.641 -0.115 18466 6555 1 9 . 1 1 122 122 THR CB C 621 68.423 68.423 68.745 -0.322 18466 6556 1 9 . 1 1 122 122 THR H H 621 9.176 9.176 8.737 0.439 18466 6557 1 9 . 1 1 123 123 ASN N N 622 117.402 117.402 116.460 0.942 18466 6558 1 9 . 1 1 123 123 ASN HA H 622 5.034 5.034 4.950 0.084 18466 6559 1 9 . 1 1 123 123 ASN C C 622 173.258 173.258 174.463 -1.205 18466 6560 1 9 . 1 1 123 123 ASN CA C 622 51.163 51.163 52.170 -1.007 18466 6561 1 9 . 1 1 123 123 ASN CB C 622 37.038 37.038 39.150 -2.112 18466 6562 1 9 . 1 1 123 123 ASN H H 622 7.970 7.970 8.184 -0.214 18466 6563 1 9 . 1 1 124 124 GLY N N 623 102.697 102.697 106.544 -3.847 18466 6564 1 9 . 1 1 124 124 GLY C C 623 169.960 169.960 171.336 -1.376 18466 6565 1 9 . 1 1 124 124 GLY CA C 623 46.700 46.700 45.320 1.380 18466 6566 1 9 . 1 1 124 124 GLY H H 623 6.916 6.916 7.311 -0.395 18466 6567 1 9 . 1 1 125 125 VAL N N 624 120.074 120.074 118.465 1.609 18466 6568 1 9 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.056 -0.174 18466 6569 1 9 . 1 1 125 125 VAL C C 624 170.860 170.860 173.436 -2.576 18466 6570 1 9 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.742 -0.145 18466 6571 1 9 . 1 1 125 125 VAL CB C 624 34.915 34.915 35.520 -0.605 18466 6572 1 9 . 1 1 125 125 VAL H H 624 8.474 8.474 8.594 -0.120 18466 6573 1 9 . 1 1 126 126 VAL N N 625 127.537 127.537 123.849 3.688 18466 6574 1 9 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.716 -0.075 18466 6575 1 9 . 1 1 126 126 VAL C C 625 172.913 172.913 174.207 -1.294 18466 6576 1 9 . 1 1 126 126 VAL CA C 625 60.474 60.474 59.840 0.634 18466 6577 1 9 . 1 1 126 126 VAL CB C 625 34.138 34.138 33.752 0.386 18466 6578 1 9 . 1 1 126 126 VAL H H 625 9.093 9.093 8.411 0.683 18466 6579 1 9 . 1 1 127 127 HIS N N 626 124.236 124.236 125.499 -1.263 18466 6580 1 9 . 1 1 127 127 HIS HA H 626 5.499 5.499 4.855 0.644 18466 6581 1 9 . 1 1 127 127 HIS C C 626 175.690 175.690 174.868 0.822 18466 6582 1 9 . 1 1 127 127 HIS CA C 626 53.204 53.204 54.192 -0.988 18466 6583 1 9 . 1 1 127 127 HIS CB C 626 34.315 34.315 31.878 2.437 18466 6584 1 9 . 1 1 127 127 HIS H H 626 8.732 8.732 8.724 0.008 18466 6585 1 9 . 1 1 128 128 VAL N N 627 124.683 124.683 126.600 -1.917 18466 6586 1 9 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.164 0.329 18466 6587 1 9 . 1 1 128 128 VAL C C 627 176.380 176.380 175.930 0.450 18466 6588 1 9 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.465 1.292 18466 6589 1 9 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.112 1.776 18466 6590 1 9 . 1 1 128 128 VAL H H 627 8.827 8.827 8.565 0.262 18466 6591 1 9 . 1 1 129 129 ILE N N 628 121.094 121.094 121.345 -0.251 18466 6592 1 9 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.788 0.355 18466 6593 1 9 . 1 1 129 129 ILE C C 628 175.099 175.099 175.449 -0.350 18466 6594 1 9 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.512 0.743 18466 6595 1 9 . 1 1 129 129 ILE CB C 628 42.613 42.613 40.948 1.665 18466 6596 1 9 . 1 1 129 129 ILE H H 628 8.650 8.650 8.667 -0.017 18466 6597 1 9 . 1 1 130 130 THR N N 629 108.406 108.406 116.946 -8.540 18466 6598 1 9 . 1 1 130 130 THR HA H 629 4.666 4.666 4.585 0.081 18466 6599 1 9 . 1 1 130 130 THR C C 629 173.079 173.079 173.945 -0.866 18466 6600 1 9 . 1 1 130 130 THR CA C 629 61.373 61.373 61.528 -0.155 18466 6601 1 9 . 1 1 130 130 THR CB C 629 68.776 68.776 69.301 -0.525 18466 6602 1 9 . 1 1 130 130 THR H H 629 9.359 9.359 8.151 1.208 18466 6603 1 9 . 1 1 131 131 ASN N N 630 117.726 117.726 116.801 0.925 18466 6604 1 9 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.975 -0.155 18466 6605 1 9 . 1 1 131 131 ASN C C 630 172.152 172.152 173.447 -1.295 18466 6606 1 9 . 1 1 131 131 ASN CA C 630 52.538 52.538 52.300 0.238 18466 6607 1 9 . 1 1 131 131 ASN CB C 630 43.071 43.071 42.586 0.485 18466 6608 1 9 . 1 1 131 131 ASN H H 630 7.404 7.404 7.795 -0.391 18466 6609 1 9 . 1 1 132 132 VAL N N 631 118.213 118.213 119.410 -1.197 18466 6610 1 9 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.182 -0.194 18466 6611 1 9 . 1 1 132 132 VAL C C 631 176.686 176.686 175.510 1.176 18466 6612 1 9 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.815 0.543 18466 6613 1 9 . 1 1 132 132 VAL CB C 631 32.611 32.611 32.323 0.288 18466 6614 1 9 . 1 1 132 132 VAL H H 631 8.137 8.137 8.286 -0.149 18466 6615 1 9 . 1 1 133 133 LEU N N 632 132.179 132.179 128.471 3.708 18466 6616 1 9 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.202 0.007 18466 6617 1 9 . 1 1 133 133 LEU C C 632 175.569 175.569 176.098 -0.529 18466 6618 1 9 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.491 0.724 18466 6619 1 9 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.364 0.109 18466 6620 1 9 . 1 1 133 133 LEU H H 632 10.917 10.917 8.229 2.688 18466 6621 1 9 . 1 1 134 134 GLN N N 633 115.538 115.538 125.651 -10.113 18466 6622 1 9 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.698 0.083 18466 6623 1 9 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.780 -0.388 18466 6624 1 9 . 1 1 134 134 GLN H H 633 7.765 7.765 8.366 -0.601 18466 6625 1 10 . 1 1 3 3 MET C C 502 175.880 175.880 175.626 0.254 18466 6626 1 10 . 1 1 3 3 MET CA C 502 55.950 55.950 55.956 -0.006 18466 6627 1 10 . 1 1 3 3 MET CB C 502 34.203 34.203 32.555 1.648 18466 6628 1 10 . 1 1 4 4 GLY N N 503 111.090 111.090 111.375 -0.285 18466 6629 1 10 . 1 1 4 4 GLY C C 503 174.009 174.009 172.534 1.475 18466 6630 1 10 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.877 -0.400 18466 6631 1 10 . 1 1 4 4 GLY H H 503 8.375 8.375 8.221 0.154 18466 6632 1 10 . 1 1 5 5 THR N N 504 111.543 111.543 112.389 -0.846 18466 6633 1 10 . 1 1 5 5 THR HA H 504 4.437 4.437 4.783 -0.346 18466 6634 1 10 . 1 1 5 5 THR C C 504 176.361 176.361 176.446 -0.085 18466 6635 1 10 . 1 1 5 5 THR CA C 504 61.972 61.972 60.536 1.435 18466 6636 1 10 . 1 1 5 5 THR CB C 504 73.041 73.041 70.999 2.042 18466 6637 1 10 . 1 1 5 5 THR H H 504 9.227 9.227 8.176 1.051 18466 6638 1 10 . 1 1 6 6 VAL N N 505 118.236 118.236 120.269 -2.033 18466 6639 1 10 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.557 -0.304 18466 6640 1 10 . 1 1 6 6 VAL C C 505 177.287 177.287 177.760 -0.473 18466 6641 1 10 . 1 1 6 6 VAL CA C 505 67.124 67.124 66.835 0.289 18466 6642 1 10 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.422 0.075 18466 6643 1 10 . 1 1 6 6 VAL H H 505 9.896 9.896 8.679 1.217 18466 6644 1 10 . 1 1 7 7 MET N N 506 114.146 114.146 117.490 -3.344 18466 6645 1 10 . 1 1 7 7 MET HA H 506 4.358 4.358 4.083 0.275 18466 6646 1 10 . 1 1 7 7 MET C C 506 178.126 178.126 178.462 -0.336 18466 6647 1 10 . 1 1 7 7 MET CA C 506 56.050 56.050 57.530 -1.480 18466 6648 1 10 . 1 1 7 7 MET CB C 506 30.608 30.608 31.137 -0.529 18466 6649 1 10 . 1 1 7 7 MET H H 506 6.970 6.970 7.949 -0.979 18466 6650 1 10 . 1 1 8 8 ASP N N 507 120.413 120.413 119.755 0.658 18466 6651 1 10 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.433 -0.180 18466 6652 1 10 . 1 1 8 8 ASP C C 507 179.824 179.824 178.510 1.314 18466 6653 1 10 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.434 0.713 18466 6654 1 10 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.765 -0.287 18466 6655 1 10 . 1 1 8 8 ASP H H 507 7.433 7.433 7.524 -0.091 18466 6656 1 10 . 1 1 9 9 VAL N N 508 121.366 121.366 120.129 1.237 18466 6657 1 10 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.757 -0.192 18466 6658 1 10 . 1 1 9 9 VAL C C 508 179.112 179.112 177.899 1.213 18466 6659 1 10 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.629 -0.480 18466 6660 1 10 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.822 -0.252 18466 6661 1 10 . 1 1 9 9 VAL H H 508 8.157 8.157 7.599 0.558 18466 6662 1 10 . 1 1 10 10 LEU N N 509 117.252 117.252 117.614 -0.362 18466 6663 1 10 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.402 -0.380 18466 6664 1 10 . 1 1 10 10 LEU C C 509 179.092 179.092 178.789 0.303 18466 6665 1 10 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.283 0.061 18466 6666 1 10 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.339 0.583 18466 6667 1 10 . 1 1 10 10 LEU H H 509 7.859 7.859 8.001 -0.142 18466 6668 1 10 . 1 1 11 11 LYS N N 510 114.815 114.815 117.990 -3.175 18466 6669 1 10 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.270 -0.316 18466 6670 1 10 . 1 1 11 11 LYS C C 510 178.026 178.026 178.425 -0.399 18466 6671 1 10 . 1 1 11 11 LYS CA C 510 59.144 59.144 57.523 1.621 18466 6672 1 10 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.603 0.094 18466 6673 1 10 . 1 1 11 11 LYS H H 510 8.376 8.376 7.654 0.722 18466 6674 1 10 . 1 1 12 12 GLY N N 511 104.635 104.635 106.894 -2.259 18466 6675 1 10 . 1 1 12 12 GLY C C 511 172.558 172.558 174.043 -1.485 18466 6676 1 10 . 1 1 12 12 GLY CA C 511 45.505 45.505 45.495 0.010 18466 6677 1 10 . 1 1 12 12 GLY H H 511 7.593 7.593 8.085 -0.492 18466 6678 1 10 . 1 1 13 13 ASP N N 512 120.111 120.111 118.499 1.612 18466 6679 1 10 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.617 0.378 18466 6680 1 10 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.228 0.355 18466 6681 1 10 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.398 0.559 18466 6682 1 10 . 1 1 13 13 ASP H H 512 7.065 7.065 7.263 -0.198 18466 6683 1 10 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.451 -0.003 18466 6684 1 10 . 1 1 14 14 ASN C C 513 176.736 176.736 176.527 0.209 18466 6685 1 10 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.554 0.338 18466 6686 1 10 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.806 -0.721 18466 6687 1 10 . 1 1 15 15 ARG N N 514 118.917 118.917 119.378 -0.461 18466 6688 1 10 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.239 -0.070 18466 6689 1 10 . 1 1 15 15 ARG C C 514 176.145 176.145 178.778 -2.633 18466 6690 1 10 . 1 1 15 15 ARG CA C 514 58.062 58.062 58.144 -0.082 18466 6691 1 10 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.017 0.649 18466 6692 1 10 . 1 1 15 15 ARG H H 514 8.581 8.581 8.125 0.456 18466 6693 1 10 . 1 1 16 16 PHE N N 515 113.226 113.226 119.329 -6.103 18466 6694 1 10 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.603 1.176 18466 6695 1 10 . 1 1 16 16 PHE C C 515 176.587 176.587 177.915 -1.328 18466 6696 1 10 . 1 1 16 16 PHE CA C 515 56.064 56.064 57.423 -1.359 18466 6697 1 10 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.716 0.855 18466 6698 1 10 . 1 1 16 16 PHE H H 515 7.600 7.600 9.106 -1.506 18466 6699 1 10 . 1 1 17 17 SER N N 516 116.620 116.620 115.795 0.825 18466 6700 1 10 . 1 1 17 17 SER HA H 516 4.049 4.049 4.196 -0.147 18466 6701 1 10 . 1 1 17 17 SER C C 516 178.564 178.564 176.543 2.021 18466 6702 1 10 . 1 1 17 17 SER CA C 516 62.683 62.683 61.191 1.492 18466 6703 1 10 . 1 1 17 17 SER CB C 516 62.150 62.150 62.805 -0.655 18466 6704 1 10 . 1 1 17 17 SER H H 516 7.532 7.532 7.824 -0.292 18466 6705 1 10 . 1 1 18 18 MET N N 517 124.356 124.356 120.110 4.246 18466 6706 1 10 . 1 1 18 18 MET HA H 517 3.991 3.991 4.042 -0.051 18466 6707 1 10 . 1 1 18 18 MET C C 517 178.066 178.066 178.077 -0.011 18466 6708 1 10 . 1 1 18 18 MET CA C 517 59.462 59.462 58.459 1.004 18466 6709 1 10 . 1 1 18 18 MET CB C 517 31.596 31.596 32.337 -0.741 18466 6710 1 10 . 1 1 18 18 MET H H 517 9.291 9.291 7.479 1.812 18466 6711 1 10 . 1 1 19 19 LEU N N 518 123.835 123.835 120.875 2.960 18466 6712 1 10 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.156 -0.235 18466 6713 1 10 . 1 1 19 19 LEU C C 518 178.217 178.217 178.298 -0.081 18466 6714 1 10 . 1 1 19 19 LEU CA C 518 58.140 58.140 58.071 0.069 18466 6715 1 10 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.505 -0.173 18466 6716 1 10 . 1 1 19 19 LEU H H 518 8.615 8.615 7.442 1.173 18466 6717 1 10 . 1 1 20 20 VAL N N 519 118.876 118.876 119.960 -1.084 18466 6718 1 10 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.555 -0.250 18466 6719 1 10 . 1 1 20 20 VAL C C 519 178.174 178.174 177.821 0.353 18466 6720 1 10 . 1 1 20 20 VAL CA C 519 67.850 67.850 67.334 0.516 18466 6721 1 10 . 1 1 20 20 VAL CB C 519 31.701 31.701 30.923 0.778 18466 6722 1 10 . 1 1 20 20 VAL H H 519 9.059 9.059 8.167 0.892 18466 6723 1 10 . 1 1 21 21 ALA N N 520 122.184 122.184 121.489 0.695 18466 6724 1 10 . 1 1 21 21 ALA HA H 520 4.156 4.156 4.005 0.151 18466 6725 1 10 . 1 1 21 21 ALA C C 520 180.310 180.310 179.343 0.967 18466 6726 1 10 . 1 1 21 21 ALA CA C 520 55.066 55.066 55.128 -0.062 18466 6727 1 10 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.862 -0.056 18466 6728 1 10 . 1 1 21 21 ALA H H 520 7.482 7.482 7.700 -0.218 18466 6729 1 10 . 1 1 22 22 ALA N N 521 123.379 123.379 121.617 1.762 18466 6730 1 10 . 1 1 22 22 ALA HA H 521 4.102 4.102 4.055 0.047 18466 6731 1 10 . 1 1 22 22 ALA C C 521 178.705 178.705 179.624 -0.919 18466 6732 1 10 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.770 0.139 18466 6733 1 10 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.389 -0.518 18466 6734 1 10 . 1 1 22 22 ALA H H 521 8.286 8.286 7.396 0.890 18466 6735 1 10 . 1 1 23 23 ILE N N 522 120.263 120.263 119.066 1.197 18466 6736 1 10 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.547 -0.243 18466 6737 1 10 . 1 1 23 23 ILE C C 522 178.025 178.025 178.319 -0.294 18466 6738 1 10 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.396 0.583 18466 6739 1 10 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.584 0.784 18466 6740 1 10 . 1 1 23 23 ILE H H 522 8.900 8.900 8.574 0.326 18466 6741 1 10 . 1 1 24 24 GLN N N 523 118.959 118.959 116.992 1.967 18466 6742 1 10 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.153 0.035 18466 6743 1 10 . 1 1 24 24 GLN C C 523 180.253 180.253 178.138 2.115 18466 6744 1 10 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.192 0.401 18466 6745 1 10 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.098 -0.466 18466 6746 1 10 . 1 1 24 24 GLN H H 523 7.898 7.898 8.382 -0.484 18466 6747 1 10 . 1 1 25 25 SER N N 524 118.150 118.150 114.127 4.023 18466 6748 1 10 . 1 1 25 25 SER HA H 524 4.188 4.188 4.370 -0.182 18466 6749 1 10 . 1 1 25 25 SER C C 524 175.635 175.635 175.276 0.359 18466 6750 1 10 . 1 1 25 25 SER CA C 524 61.732 61.732 60.178 1.554 18466 6751 1 10 . 1 1 25 25 SER CB C 524 63.140 63.140 63.548 -0.408 18466 6752 1 10 . 1 1 25 25 SER H H 524 8.405 8.405 7.482 0.923 18466 6753 1 10 . 1 1 26 26 ALA N N 525 119.360 119.360 121.617 -2.257 18466 6754 1 10 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.309 0.059 18466 6755 1 10 . 1 1 26 26 ALA C C 525 176.960 176.960 177.909 -0.949 18466 6756 1 10 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.697 -0.541 18466 6757 1 10 . 1 1 26 26 ALA CB C 525 19.947 19.947 20.197 -0.250 18466 6758 1 10 . 1 1 26 26 ALA H H 525 8.277 8.277 7.654 0.623 18466 6759 1 10 . 1 1 27 27 GLY N N 526 105.968 105.968 105.594 0.374 18466 6760 1 10 . 1 1 27 27 GLY C C 526 176.602 176.602 174.911 1.691 18466 6761 1 10 . 1 1 27 27 GLY CA C 526 46.475 46.475 44.938 1.538 18466 6762 1 10 . 1 1 27 27 GLY H H 526 7.789 7.789 8.270 -0.481 18466 6763 1 10 . 1 1 28 28 LEU N N 527 118.466 118.466 119.412 -0.946 18466 6764 1 10 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.613 -0.160 18466 6765 1 10 . 1 1 28 28 LEU C C 527 175.805 175.805 177.543 -1.738 18466 6766 1 10 . 1 1 28 28 LEU CA C 527 54.816 54.816 54.027 0.789 18466 6767 1 10 . 1 1 28 28 LEU CB C 527 45.181 45.181 40.099 5.082 18466 6768 1 10 . 1 1 28 28 LEU H H 527 8.088 8.088 7.685 0.403 18466 6769 1 10 . 1 1 29 29 THR N N 528 118.037 118.037 115.091 2.946 18466 6770 1 10 . 1 1 29 29 THR HA H 528 3.539 3.539 3.944 -0.405 18466 6771 1 10 . 1 1 29 29 THR C C 528 175.526 175.526 175.406 0.120 18466 6772 1 10 . 1 1 29 29 THR CA C 528 66.828 66.828 66.227 0.601 18466 6773 1 10 . 1 1 29 29 THR CB C 528 68.754 68.754 68.462 0.292 18466 6774 1 10 . 1 1 29 29 THR H H 528 7.593 7.593 8.175 -0.582 18466 6775 1 10 . 1 1 30 30 GLU N N 529 117.711 117.711 118.879 -1.168 18466 6776 1 10 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.076 -0.104 18466 6777 1 10 . 1 1 30 30 GLU C C 529 179.395 179.395 178.102 1.293 18466 6778 1 10 . 1 1 30 30 GLU CA C 529 59.788 59.788 59.016 0.772 18466 6779 1 10 . 1 1 30 30 GLU CB C 529 28.458 28.458 29.221 -0.763 18466 6780 1 10 . 1 1 30 30 GLU H H 529 8.304 8.304 8.537 -0.233 18466 6781 1 10 . 1 1 31 31 THR N N 530 116.155 116.155 115.031 1.124 18466 6782 1 10 . 1 1 31 31 THR HA H 530 3.756 3.756 4.005 -0.249 18466 6783 1 10 . 1 1 31 31 THR C C 530 175.838 175.838 176.017 -0.179 18466 6784 1 10 . 1 1 31 31 THR CA C 530 67.156 67.156 65.917 1.239 18466 6785 1 10 . 1 1 31 31 THR CB C 530 69.159 69.159 68.636 0.523 18466 6786 1 10 . 1 1 31 31 THR H H 530 7.692 7.692 7.227 0.465 18466 6787 1 10 . 1 1 32 32 LEU N N 531 116.655 116.655 117.825 -1.170 18466 6788 1 10 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.074 -0.153 18466 6789 1 10 . 1 1 32 32 LEU C C 531 176.177 176.177 176.301 -0.124 18466 6790 1 10 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.536 1.017 18466 6791 1 10 . 1 1 32 32 LEU CB C 531 41.533 41.533 40.422 1.111 18466 6792 1 10 . 1 1 32 32 LEU H H 531 7.103 7.103 7.332 -0.229 18466 6793 1 10 . 1 1 33 33 ASN N N 532 118.711 118.711 117.229 1.482 18466 6794 1 10 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.649 0.327 18466 6795 1 10 . 1 1 33 33 ASN C C 532 174.819 174.819 175.555 -0.736 18466 6796 1 10 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.559 -1.438 18466 6797 1 10 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.603 1.386 18466 6798 1 10 . 1 1 33 33 ASN H H 532 7.735 7.735 7.377 0.358 18466 6799 1 10 . 1 1 34 34 ARG N N 533 119.777 119.777 119.738 0.039 18466 6800 1 10 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.501 0.028 18466 6801 1 10 . 1 1 34 34 ARG C C 533 175.340 175.340 175.130 0.210 18466 6802 1 10 . 1 1 34 34 ARG CA C 533 55.624 55.624 55.243 0.381 18466 6803 1 10 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.540 1.265 18466 6804 1 10 . 1 1 34 34 ARG H H 533 7.287 7.287 7.418 -0.131 18466 6805 1 10 . 1 1 35 35 GLU N N 534 120.198 120.198 119.895 0.303 18466 6806 1 10 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.255 -0.020 18466 6807 1 10 . 1 1 35 35 GLU C C 534 176.305 176.305 176.309 -0.004 18466 6808 1 10 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.393 1.345 18466 6809 1 10 . 1 1 35 35 GLU CB C 534 29.694 29.694 29.975 -0.281 18466 6810 1 10 . 1 1 35 35 GLU H H 534 8.517 8.517 8.308 0.209 18466 6811 1 10 . 1 1 36 36 GLY N N 535 111.018 111.018 107.744 3.274 18466 6812 1 10 . 1 1 36 36 GLY C C 535 170.570 170.570 172.340 -1.770 18466 6813 1 10 . 1 1 36 36 GLY CA C 535 44.825 44.825 44.730 0.095 18466 6814 1 10 . 1 1 36 36 GLY H H 535 7.955 7.955 8.754 -0.799 18466 6815 1 10 . 1 1 37 37 VAL N N 536 114.867 114.867 118.944 -4.077 18466 6816 1 10 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.651 -0.523 18466 6817 1 10 . 1 1 37 37 VAL C C 536 173.020 173.020 173.637 -0.617 18466 6818 1 10 . 1 1 37 37 VAL CA C 536 59.407 59.407 59.331 0.076 18466 6819 1 10 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.614 0.068 18466 6820 1 10 . 1 1 37 37 VAL H H 536 7.198 7.198 7.836 -0.638 18466 6821 1 10 . 1 1 38 38 TYR N N 537 117.363 117.363 122.993 -5.630 18466 6822 1 10 . 1 1 38 38 TYR HA H 537 5.199 5.199 5.079 0.120 18466 6823 1 10 . 1 1 38 38 TYR C C 537 176.278 176.278 174.988 1.290 18466 6824 1 10 . 1 1 38 38 TYR CA C 537 56.770 56.770 57.199 -0.429 18466 6825 1 10 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.704 -0.160 18466 6826 1 10 . 1 1 38 38 TYR H H 537 7.507 7.507 7.721 -0.214 18466 6827 1 10 . 1 1 39 39 THR N N 538 117.120 117.120 121.334 -4.214 18466 6828 1 10 . 1 1 39 39 THR HA H 538 4.781 4.781 4.921 -0.140 18466 6829 1 10 . 1 1 39 39 THR C C 538 173.406 173.406 173.363 0.043 18466 6830 1 10 . 1 1 39 39 THR CA C 538 62.197 62.197 61.704 0.493 18466 6831 1 10 . 1 1 39 39 THR CB C 538 70.922 70.922 69.202 1.720 18466 6832 1 10 . 1 1 39 39 THR H H 538 7.906 7.906 9.407 -1.501 18466 6833 1 10 . 1 1 40 40 VAL N N 539 126.768 126.768 127.336 -0.568 18466 6834 1 10 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.994 -0.391 18466 6835 1 10 . 1 1 40 40 VAL C C 539 174.038 174.038 174.491 -0.453 18466 6836 1 10 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.476 0.692 18466 6837 1 10 . 1 1 40 40 VAL CB C 539 33.995 33.995 33.355 0.640 18466 6838 1 10 . 1 1 40 40 VAL H H 539 9.154 9.154 8.570 0.584 18466 6839 1 10 . 1 1 41 41 PHE N N 540 128.517 128.517 126.798 1.719 18466 6840 1 10 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.108 0.223 18466 6841 1 10 . 1 1 41 41 PHE C C 540 173.429 173.429 175.178 -1.749 18466 6842 1 10 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.525 1.157 18466 6843 1 10 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.471 -1.022 18466 6844 1 10 . 1 1 41 41 PHE H H 540 9.087 9.087 8.682 0.405 18466 6845 1 10 . 1 1 42 42 ALA N N 541 125.981 125.981 129.409 -3.428 18466 6846 1 10 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.734 -0.151 18466 6847 1 10 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.130 -0.134 18466 6848 1 10 . 1 1 42 42 ALA CB C 541 23.007 23.007 19.120 3.887 18466 6849 1 10 . 1 1 42 42 ALA H H 541 8.666 8.666 8.326 0.340 18466 6850 1 10 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.468 -0.451 18466 6851 1 10 . 1 1 43 43 PRO C C 542 177.809 177.809 177.468 0.341 18466 6852 1 10 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.093 -1.014 18466 6853 1 10 . 1 1 43 43 PRO CB C 542 31.835 31.835 32.129 -0.294 18466 6854 1 10 . 1 1 44 44 THR N N 543 112.053 112.053 115.114 -3.061 18466 6855 1 10 . 1 1 44 44 THR HA H 543 4.464 4.464 4.565 -0.101 18466 6856 1 10 . 1 1 44 44 THR C C 543 176.413 176.413 176.165 0.248 18466 6857 1 10 . 1 1 44 44 THR CA C 543 60.762 60.762 60.312 0.450 18466 6858 1 10 . 1 1 44 44 THR CB C 543 71.542 71.542 70.418 1.124 18466 6859 1 10 . 1 1 44 44 THR H H 543 7.731 7.731 8.452 -0.721 18466 6860 1 10 . 1 1 45 45 ASN N N 544 119.183 119.183 118.791 0.392 18466 6861 1 10 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.583 0.117 18466 6862 1 10 . 1 1 45 45 ASN C C 544 178.324 178.324 177.544 0.780 18466 6863 1 10 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.581 -0.275 18466 6864 1 10 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.686 -1.480 18466 6865 1 10 . 1 1 45 45 ASN H H 544 8.883 8.883 8.763 0.120 18466 6866 1 10 . 1 1 46 46 GLU N N 545 118.549 118.549 119.321 -0.772 18466 6867 1 10 . 1 1 46 46 GLU C C 545 178.200 178.200 178.097 0.103 18466 6868 1 10 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.154 0.782 18466 6869 1 10 . 1 1 46 46 GLU CB C 545 29.347 29.347 29.232 0.115 18466 6870 1 10 . 1 1 46 46 GLU H H 545 8.283 8.283 8.077 0.206 18466 6871 1 10 . 1 1 47 47 ALA N N 546 122.120 122.120 122.372 -0.252 18466 6872 1 10 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.104 -0.060 18466 6873 1 10 . 1 1 47 47 ALA C C 546 180.432 180.432 179.420 1.012 18466 6874 1 10 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.673 0.396 18466 6875 1 10 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.410 1.183 18466 6876 1 10 . 1 1 47 47 ALA H H 546 7.485 7.485 7.583 -0.098 18466 6877 1 10 . 1 1 48 48 PHE N N 547 115.213 115.213 116.816 -1.603 18466 6878 1 10 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.289 -0.243 18466 6879 1 10 . 1 1 48 48 PHE C C 547 179.098 179.098 177.367 1.731 18466 6880 1 10 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.290 0.815 18466 6881 1 10 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.633 1.126 18466 6882 1 10 . 1 1 48 48 PHE H H 547 7.363 7.363 7.515 -0.152 18466 6883 1 10 . 1 1 49 49 ARG N N 548 118.451 118.451 120.205 -1.754 18466 6884 1 10 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.165 -0.176 18466 6885 1 10 . 1 1 49 49 ARG C C 548 176.382 176.382 177.584 -1.202 18466 6886 1 10 . 1 1 49 49 ARG CA C 548 58.915 58.915 57.420 1.495 18466 6887 1 10 . 1 1 49 49 ARG CB C 548 30.150 30.150 29.802 0.348 18466 6888 1 10 . 1 1 49 49 ARG H H 548 8.266 8.266 7.714 0.552 18466 6889 1 10 . 1 1 50 50 ALA N N 549 118.978 118.978 121.417 -2.439 18466 6890 1 10 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.273 0.006 18466 6891 1 10 . 1 1 50 50 ALA C C 549 178.745 178.745 178.077 0.668 18466 6892 1 10 . 1 1 50 50 ALA CA C 549 52.652 52.652 52.856 -0.204 18466 6893 1 10 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.105 -0.158 18466 6894 1 10 . 1 1 50 50 ALA H H 549 7.416 7.416 7.820 -0.404 18466 6895 1 10 . 1 1 51 51 LEU N N 550 119.842 119.842 121.584 -1.742 18466 6896 1 10 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.484 0.047 18466 6897 1 10 . 1 1 51 51 LEU CA C 550 53.313 53.313 53.148 0.165 18466 6898 1 10 . 1 1 51 51 LEU CB C 550 42.418 42.418 42.032 0.386 18466 6899 1 10 . 1 1 51 51 LEU H H 550 7.138 7.138 7.454 -0.316 18466 6900 1 10 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.839 -0.050 18466 6901 1 10 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.164 0.620 18466 6902 1 10 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.358 -0.017 18466 6903 1 10 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.153 -0.038 18466 6904 1 10 . 1 1 53 53 PRO CA C 552 66.346 66.346 65.793 0.553 18466 6905 1 10 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.835 1.548 18466 6906 1 10 . 1 1 54 54 ARG C C 553 179.024 179.024 178.807 0.217 18466 6907 1 10 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.736 -0.282 18466 6908 1 10 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.914 -0.220 18466 6909 1 10 . 1 1 55 55 GLU N N 554 119.712 119.712 119.116 0.596 18466 6910 1 10 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.192 0.174 18466 6911 1 10 . 1 1 55 55 GLU C C 554 178.437 178.437 178.898 -0.461 18466 6912 1 10 . 1 1 55 55 GLU CA C 554 58.362 58.362 58.518 -0.156 18466 6913 1 10 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.626 0.101 18466 6914 1 10 . 1 1 55 55 GLU H H 554 7.526 7.526 7.760 -0.234 18466 6915 1 10 . 1 1 56 56 ARG N N 555 120.112 120.112 120.482 -0.370 18466 6916 1 10 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.046 -0.201 18466 6917 1 10 . 1 1 56 56 ARG C C 555 177.902 177.902 178.760 -0.858 18466 6918 1 10 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.643 0.719 18466 6919 1 10 . 1 1 56 56 ARG CB C 555 30.295 30.295 30.210 0.085 18466 6920 1 10 . 1 1 56 56 ARG H H 555 8.452 8.452 8.735 -0.283 18466 6921 1 10 . 1 1 57 57 SER N N 556 111.829 111.829 113.560 -1.731 18466 6922 1 10 . 1 1 57 57 SER HA H 556 4.138 4.138 4.235 -0.097 18466 6923 1 10 . 1 1 57 57 SER C C 556 177.151 177.151 175.853 1.298 18466 6924 1 10 . 1 1 57 57 SER CA C 556 61.661 61.661 61.021 0.640 18466 6925 1 10 . 1 1 57 57 SER CB C 556 62.874 62.874 62.865 0.009 18466 6926 1 10 . 1 1 57 57 SER H H 556 8.200 8.200 8.353 -0.153 18466 6927 1 10 . 1 1 58 58 ARG N N 557 122.459 122.459 120.280 2.179 18466 6928 1 10 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.096 -0.028 18466 6929 1 10 . 1 1 58 58 ARG C C 557 178.190 178.190 179.312 -1.122 18466 6930 1 10 . 1 1 58 58 ARG CA C 557 59.121 59.121 58.912 0.209 18466 6931 1 10 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.114 0.394 18466 6932 1 10 . 1 1 58 58 ARG H H 557 7.589 7.589 7.331 0.258 18466 6933 1 10 . 1 1 59 59 LEU N N 558 117.826 117.826 121.426 -3.600 18466 6934 1 10 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.172 -0.063 18466 6935 1 10 . 1 1 59 59 LEU C C 558 177.217 177.217 178.651 -1.434 18466 6936 1 10 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.638 0.140 18466 6937 1 10 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.420 0.008 18466 6938 1 10 . 1 1 59 59 LEU H H 558 8.034 8.034 7.631 0.403 18466 6939 1 10 . 1 1 60 60 LEU N N 559 112.187 112.187 117.238 -5.051 18466 6940 1 10 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.328 -0.117 18466 6941 1 10 . 1 1 60 60 LEU C C 559 179.037 179.037 177.636 1.401 18466 6942 1 10 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.815 0.435 18466 6943 1 10 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.456 -0.270 18466 6944 1 10 . 1 1 60 60 LEU H H 559 7.844 7.844 8.617 -0.773 18466 6945 1 10 . 1 1 61 61 GLY N N 560 104.550 104.550 106.164 -1.614 18466 6946 1 10 . 1 1 61 61 GLY C C 560 173.292 173.292 173.218 0.074 18466 6947 1 10 . 1 1 61 61 GLY CA C 560 45.525 45.525 44.822 0.703 18466 6948 1 10 . 1 1 61 61 GLY H H 560 7.565 7.565 7.600 -0.035 18466 6949 1 10 . 1 1 62 62 ASP N N 561 120.720 120.720 120.526 0.194 18466 6950 1 10 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.874 0.022 18466 6951 1 10 . 1 1 62 62 ASP C C 561 174.791 174.791 175.833 -1.042 18466 6952 1 10 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.269 -0.712 18466 6953 1 10 . 1 1 62 62 ASP CB C 561 42.146 42.146 43.404 -1.258 18466 6954 1 10 . 1 1 62 62 ASP H H 561 7.255 7.255 7.592 -0.337 18466 6955 1 10 . 1 1 63 63 ALA N N 562 126.814 126.814 129.728 -2.914 18466 6956 1 10 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.046 -0.005 18466 6957 1 10 . 1 1 63 63 ALA C C 562 180.100 180.100 178.767 1.333 18466 6958 1 10 . 1 1 63 63 ALA CA C 562 55.682 55.682 55.212 0.470 18466 6959 1 10 . 1 1 63 63 ALA CB C 562 18.903 18.903 18.965 -0.062 18466 6960 1 10 . 1 1 63 63 ALA H H 562 8.674 8.674 8.766 -0.092 18466 6961 1 10 . 1 1 64 64 LYS N N 563 118.169 118.169 119.336 -1.167 18466 6962 1 10 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.052 0.105 18466 6963 1 10 . 1 1 64 64 LYS C C 563 179.513 179.513 178.757 0.756 18466 6964 1 10 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.474 -0.070 18466 6965 1 10 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.240 -0.274 18466 6966 1 10 . 1 1 64 64 LYS H H 563 8.143 8.143 7.798 0.345 18466 6967 1 10 . 1 1 65 65 GLU N N 564 121.540 121.540 119.416 2.124 18466 6968 1 10 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.101 0.164 18466 6969 1 10 . 1 1 65 65 GLU C C 564 179.400 179.400 179.214 0.186 18466 6970 1 10 . 1 1 65 65 GLU CA C 564 58.381 58.381 58.630 -0.249 18466 6971 1 10 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.184 0.078 18466 6972 1 10 . 1 1 65 65 GLU H H 564 7.812 7.812 8.562 -0.750 18466 6973 1 10 . 1 1 66 66 LEU N N 565 120.816 120.816 120.690 0.126 18466 6974 1 10 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.971 0.143 18466 6975 1 10 . 1 1 66 66 LEU C C 565 178.632 178.632 178.813 -0.181 18466 6976 1 10 . 1 1 66 66 LEU CA C 565 58.006 58.006 58.041 -0.035 18466 6977 1 10 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.669 -0.268 18466 6978 1 10 . 1 1 66 66 LEU H H 565 8.757 8.757 8.102 0.655 18466 6979 1 10 . 1 1 67 67 ALA N N 566 118.909 118.909 120.700 -1.791 18466 6980 1 10 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.895 0.021 18466 6981 1 10 . 1 1 67 67 ALA C C 566 178.874 178.874 179.473 -0.599 18466 6982 1 10 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.348 0.619 18466 6983 1 10 . 1 1 67 67 ALA CB C 566 18.119 18.119 17.965 0.154 18466 6984 1 10 . 1 1 67 67 ALA H H 566 8.058 8.058 8.177 -0.119 18466 6985 1 10 . 1 1 68 68 ASN N N 567 115.314 115.314 117.850 -2.536 18466 6986 1 10 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.513 -0.071 18466 6987 1 10 . 1 1 68 68 ASN C C 567 176.598 176.598 177.656 -1.058 18466 6988 1 10 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.479 0.667 18466 6989 1 10 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.892 0.140 18466 6990 1 10 . 1 1 68 68 ASN H H 567 7.478 7.478 8.161 -0.683 18466 6991 1 10 . 1 1 69 69 ILE N N 568 117.111 117.111 119.523 -2.412 18466 6992 1 10 . 1 1 69 69 ILE HA H 568 3.996 3.996 4.001 -0.005 18466 6993 1 10 . 1 1 69 69 ILE C C 568 179.707 179.707 178.467 1.240 18466 6994 1 10 . 1 1 69 69 ILE CA C 568 63.604 63.604 63.481 0.123 18466 6995 1 10 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.339 0.089 18466 6996 1 10 . 1 1 69 69 ILE H H 568 8.027 8.027 8.326 -0.299 18466 6997 1 10 . 1 1 70 70 LEU N N 569 121.388 121.388 121.727 -0.339 18466 6998 1 10 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.160 -0.060 18466 6999 1 10 . 1 1 70 70 LEU C C 569 179.729 179.729 180.074 -0.345 18466 7000 1 10 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.916 0.676 18466 7001 1 10 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.492 0.423 18466 7002 1 10 . 1 1 70 70 LEU H H 569 8.985 8.985 8.442 0.543 18466 7003 1 10 . 1 1 71 71 LYS N N 570 116.226 116.226 118.274 -2.048 18466 7004 1 10 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.118 -0.180 18466 7005 1 10 . 1 1 71 71 LYS C C 570 177.620 177.620 178.210 -0.590 18466 7006 1 10 . 1 1 71 71 LYS CA C 570 60.800 60.800 58.862 1.938 18466 7007 1 10 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.133 0.308 18466 7008 1 10 . 1 1 71 71 LYS H H 570 8.525 8.525 8.456 0.069 18466 7009 1 10 . 1 1 72 72 TYR N N 571 120.076 120.076 118.125 1.951 18466 7010 1 10 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.422 0.202 18466 7011 1 10 . 1 1 72 72 TYR C C 571 171.915 171.915 175.820 -3.905 18466 7012 1 10 . 1 1 72 72 TYR CA C 571 58.886 58.886 58.965 -0.079 18466 7013 1 10 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.815 -0.052 18466 7014 1 10 . 1 1 72 72 TYR H H 571 7.624 7.624 7.694 -0.070 18466 7015 1 10 . 1 1 73 73 HIS N N 572 108.895 108.895 115.534 -6.639 18466 7016 1 10 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.522 -0.331 18466 7017 1 10 . 1 1 73 73 HIS C C 572 173.852 173.852 174.572 -0.720 18466 7018 1 10 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.001 0.869 18466 7019 1 10 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.753 -2.595 18466 7020 1 10 . 1 1 73 73 HIS H H 572 7.532 7.532 7.718 -0.186 18466 7021 1 10 . 1 1 74 74 ILE N N 573 117.580 117.580 119.356 -1.776 18466 7022 1 10 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.752 0.457 18466 7023 1 10 . 1 1 74 74 ILE C C 573 175.691 175.691 174.543 1.148 18466 7024 1 10 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.355 -0.728 18466 7025 1 10 . 1 1 74 74 ILE CB C 573 40.690 40.690 40.178 0.512 18466 7026 1 10 . 1 1 74 74 ILE H H 573 7.310 7.310 7.375 -0.065 18466 7027 1 10 . 1 1 75 75 GLY N N 574 111.704 111.704 113.134 -1.430 18466 7028 1 10 . 1 1 75 75 GLY C C 574 173.963 173.963 173.532 0.431 18466 7029 1 10 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.763 0.172 18466 7030 1 10 . 1 1 75 75 GLY H H 574 10.187 10.187 9.215 0.972 18466 7031 1 10 . 1 1 76 76 ASP N N 575 120.565 120.565 119.577 0.988 18466 7032 1 10 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.813 -0.045 18466 7033 1 10 . 1 1 76 76 ASP C C 575 174.774 174.774 175.130 -0.356 18466 7034 1 10 . 1 1 76 76 ASP CA C 575 53.727 53.727 53.474 0.254 18466 7035 1 10 . 1 1 76 76 ASP CB C 575 40.836 40.836 40.884 -0.048 18466 7036 1 10 . 1 1 76 76 ASP H H 575 8.356 8.356 8.259 0.097 18466 7037 1 10 . 1 1 77 77 GLU N N 576 114.303 114.303 116.724 -2.421 18466 7038 1 10 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.541 -0.070 18466 7039 1 10 . 1 1 77 77 GLU C C 576 175.374 175.374 175.327 0.047 18466 7040 1 10 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.340 0.146 18466 7041 1 10 . 1 1 77 77 GLU CB C 576 33.319 33.319 32.241 1.078 18466 7042 1 10 . 1 1 77 77 GLU H H 576 7.271 7.271 7.925 -0.654 18466 7043 1 10 . 1 1 78 78 ILE N N 577 120.967 120.967 125.390 -4.423 18466 7044 1 10 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.572 -0.995 18466 7045 1 10 . 1 1 78 78 ILE C C 577 174.824 174.824 175.652 -0.828 18466 7046 1 10 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.160 1.168 18466 7047 1 10 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.323 0.087 18466 7048 1 10 . 1 1 78 78 ILE H H 577 8.498 8.498 8.612 -0.114 18466 7049 1 10 . 1 1 79 79 LEU N N 578 132.772 132.772 131.063 1.709 18466 7050 1 10 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.827 -0.055 18466 7051 1 10 . 1 1 79 79 LEU C C 578 174.159 174.159 174.910 -0.751 18466 7052 1 10 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.636 0.261 18466 7053 1 10 . 1 1 79 79 LEU CB C 578 44.049 44.049 44.207 -0.158 18466 7054 1 10 . 1 1 79 79 LEU H H 578 7.992 7.992 8.618 -0.626 18466 7055 1 10 . 1 1 80 80 VAL N N 579 118.382 118.382 123.374 -4.992 18466 7056 1 10 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.724 0.047 18466 7057 1 10 . 1 1 80 80 VAL C C 579 178.418 178.418 176.978 1.440 18466 7058 1 10 . 1 1 80 80 VAL CA C 579 59.503 59.503 60.310 -0.807 18466 7059 1 10 . 1 1 80 80 VAL CB C 579 33.434 33.434 33.421 0.013 18466 7060 1 10 . 1 1 80 80 VAL H H 579 7.954 7.954 8.134 -0.180 18466 7061 1 10 . 1 1 81 81 SER N N 580 121.875 121.875 119.100 2.775 18466 7062 1 10 . 1 1 81 81 SER HA H 580 3.838 3.838 4.233 -0.395 18466 7063 1 10 . 1 1 81 81 SER C C 580 177.145 177.145 176.731 0.414 18466 7064 1 10 . 1 1 81 81 SER CA C 580 62.909 62.909 62.030 0.879 18466 7065 1 10 . 1 1 81 81 SER CB C 580 62.215 62.215 62.489 -0.274 18466 7066 1 10 . 1 1 81 81 SER H H 580 11.083 11.083 8.862 2.221 18466 7067 1 10 . 1 1 82 82 GLY N N 581 107.458 107.458 108.217 -0.759 18466 7068 1 10 . 1 1 82 82 GLY C C 581 174.750 174.750 174.894 -0.144 18466 7069 1 10 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.785 0.154 18466 7070 1 10 . 1 1 82 82 GLY H H 581 8.277 8.277 8.357 -0.080 18466 7071 1 10 . 1 1 83 83 GLY N N 582 107.852 107.852 107.772 0.080 18466 7072 1 10 . 1 1 83 83 GLY C C 582 174.378 174.378 175.115 -0.737 18466 7073 1 10 . 1 1 83 83 GLY CA C 582 44.526 44.526 43.951 0.575 18466 7074 1 10 . 1 1 83 83 GLY H H 582 8.246 8.246 7.511 0.735 18466 7075 1 10 . 1 1 84 84 ILE N N 583 120.968 120.968 121.072 -0.104 18466 7076 1 10 . 1 1 84 84 ILE HA H 583 3.817 3.817 3.879 -0.062 18466 7077 1 10 . 1 1 84 84 ILE C C 583 175.640 175.640 176.646 -1.006 18466 7078 1 10 . 1 1 84 84 ILE CA C 583 62.947 62.947 63.011 -0.064 18466 7079 1 10 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.553 0.535 18466 7080 1 10 . 1 1 84 84 ILE H H 583 7.306 7.306 7.135 0.171 18466 7081 1 10 . 1 1 85 85 GLY N N 584 112.093 112.093 107.429 4.664 18466 7082 1 10 . 1 1 85 85 GLY C C 584 173.086 173.086 174.674 -1.588 18466 7083 1 10 . 1 1 85 85 GLY CA C 584 45.544 45.544 44.933 0.611 18466 7084 1 10 . 1 1 85 85 GLY H H 584 7.947 7.947 8.343 -0.396 18466 7085 1 10 . 1 1 86 86 ALA N N 585 125.044 125.044 124.241 0.803 18466 7086 1 10 . 1 1 86 86 ALA HA H 585 4.314 4.314 3.876 0.438 18466 7087 1 10 . 1 1 86 86 ALA C C 585 177.355 177.355 175.485 1.870 18466 7088 1 10 . 1 1 86 86 ALA CA C 585 54.149 54.149 53.680 0.469 18466 7089 1 10 . 1 1 86 86 ALA CB C 585 19.671 19.671 18.293 1.378 18466 7090 1 10 . 1 1 86 86 ALA H H 585 8.295 8.295 8.403 -0.108 18466 7091 1 10 . 1 1 87 87 LEU N N 586 118.525 118.525 118.960 -0.435 18466 7092 1 10 . 1 1 87 87 LEU HA H 586 4.713 4.713 4.772 -0.059 18466 7093 1 10 . 1 1 87 87 LEU C C 586 175.568 175.568 175.095 0.473 18466 7094 1 10 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.540 1.624 18466 7095 1 10 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.566 -1.871 18466 7096 1 10 . 1 1 87 87 LEU H H 586 7.804 7.804 7.911 -0.107 18466 7097 1 10 . 1 1 88 88 VAL N N 587 128.017 128.017 125.138 2.879 18466 7098 1 10 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.342 -0.039 18466 7099 1 10 . 1 1 88 88 VAL C C 587 174.137 174.137 174.384 -0.247 18466 7100 1 10 . 1 1 88 88 VAL CA C 587 61.394 61.394 61.266 0.128 18466 7101 1 10 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.287 0.428 18466 7102 1 10 . 1 1 88 88 VAL H H 587 9.514 9.514 8.980 0.534 18466 7103 1 10 . 1 1 89 89 ARG N N 588 125.361 125.361 126.246 -0.885 18466 7104 1 10 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.746 0.518 18466 7105 1 10 . 1 1 89 89 ARG C C 588 174.993 174.993 175.663 -0.670 18466 7106 1 10 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.487 -0.720 18466 7107 1 10 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.893 -0.759 18466 7108 1 10 . 1 1 89 89 ARG H H 588 8.616 8.616 8.349 0.267 18466 7109 1 10 . 1 1 90 90 LEU N N 589 128.011 128.011 127.090 0.921 18466 7110 1 10 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.640 -0.072 18466 7111 1 10 . 1 1 90 90 LEU C C 589 174.937 174.937 175.505 -0.568 18466 7112 1 10 . 1 1 90 90 LEU CA C 589 53.169 53.169 54.136 -0.967 18466 7113 1 10 . 1 1 90 90 LEU CB C 589 46.013 46.013 44.033 1.980 18466 7114 1 10 . 1 1 90 90 LEU H H 589 8.814 8.814 8.837 -0.023 18466 7115 1 10 . 1 1 91 91 LYS N N 590 129.467 129.467 128.033 1.434 18466 7116 1 10 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.677 -0.649 18466 7117 1 10 . 1 1 91 91 LYS C C 590 174.523 174.523 176.492 -1.969 18466 7118 1 10 . 1 1 91 91 LYS CA C 590 58.450 58.450 55.604 2.846 18466 7119 1 10 . 1 1 91 91 LYS CB C 590 32.398 32.398 32.550 -0.152 18466 7120 1 10 . 1 1 91 91 LYS H H 590 9.414 9.414 9.431 -0.017 18466 7121 1 10 . 1 1 92 92 SER N N 591 121.877 121.877 118.666 3.211 18466 7122 1 10 . 1 1 92 92 SER HA H 591 5.622 5.622 5.051 0.571 18466 7123 1 10 . 1 1 92 92 SER C C 591 178.072 178.072 176.131 1.941 18466 7124 1 10 . 1 1 92 92 SER CA C 591 58.281 58.281 56.608 1.673 18466 7125 1 10 . 1 1 92 92 SER CB C 591 67.446 67.446 65.788 1.658 18466 7126 1 10 . 1 1 92 92 SER H H 591 7.965 7.965 8.728 -0.763 18466 7127 1 10 . 1 1 93 93 LEU N N 592 121.378 121.378 121.760 -0.382 18466 7128 1 10 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.147 0.156 18466 7129 1 10 . 1 1 93 93 LEU C C 592 178.509 178.509 178.687 -0.178 18466 7130 1 10 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.797 -0.533 18466 7131 1 10 . 1 1 93 93 LEU CB C 592 41.391 41.391 40.816 0.575 18466 7132 1 10 . 1 1 93 93 LEU H H 592 9.327 9.327 9.092 0.235 18466 7133 1 10 . 1 1 94 94 GLN N N 593 119.354 119.354 116.947 2.407 18466 7134 1 10 . 1 1 94 94 GLN C C 593 176.197 176.197 177.410 -1.213 18466 7135 1 10 . 1 1 94 94 GLN CA C 593 56.498 56.498 58.037 -1.539 18466 7136 1 10 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.498 -2.220 18466 7137 1 10 . 1 1 94 94 GLN H H 593 7.526 7.526 8.090 -0.564 18466 7138 1 10 . 1 1 95 95 GLY N N 594 109.497 109.497 107.712 1.785 18466 7139 1 10 . 1 1 95 95 GLY C C 594 174.379 174.379 174.410 -0.031 18466 7140 1 10 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.693 0.775 18466 7141 1 10 . 1 1 95 95 GLY H H 594 7.632 7.632 8.108 -0.476 18466 7142 1 10 . 1 1 96 96 ASP N N 595 121.403 121.403 121.481 -0.078 18466 7143 1 10 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.869 0.031 18466 7144 1 10 . 1 1 96 96 ASP C C 595 177.399 177.399 175.585 1.814 18466 7145 1 10 . 1 1 96 96 ASP CA C 595 54.569 54.569 53.480 1.089 18466 7146 1 10 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.715 -1.424 18466 7147 1 10 . 1 1 96 96 ASP H H 595 8.835 8.835 7.923 0.912 18466 7148 1 10 . 1 1 97 97 LYS N N 596 119.362 119.362 119.273 0.089 18466 7149 1 10 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.717 0.327 18466 7150 1 10 . 1 1 97 97 LYS C C 596 176.620 176.620 174.913 1.707 18466 7151 1 10 . 1 1 97 97 LYS CA C 596 56.128 56.128 54.824 1.304 18466 7152 1 10 . 1 1 97 97 LYS CB C 596 33.880 33.880 33.783 0.097 18466 7153 1 10 . 1 1 97 97 LYS H H 596 9.018 9.018 8.455 0.563 18466 7154 1 10 . 1 1 98 98 LEU N N 597 125.543 125.543 124.855 0.688 18466 7155 1 10 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.317 0.037 18466 7156 1 10 . 1 1 98 98 LEU C C 597 176.218 176.218 175.543 0.675 18466 7157 1 10 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.931 0.006 18466 7158 1 10 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.474 2.640 18466 7159 1 10 . 1 1 98 98 LEU H H 597 9.304 9.304 9.119 0.185 18466 7160 1 10 . 1 1 99 99 GLU N N 598 121.122 121.122 127.590 -6.468 18466 7161 1 10 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.295 0.343 18466 7162 1 10 . 1 1 99 99 GLU C C 598 175.099 175.099 174.953 0.146 18466 7163 1 10 . 1 1 99 99 GLU CA C 598 55.729 55.729 55.324 0.405 18466 7164 1 10 . 1 1 99 99 GLU CB C 598 30.554 30.554 28.896 1.658 18466 7165 1 10 . 1 1 99 99 GLU H H 598 8.314 8.314 8.984 -0.670 18466 7166 1 10 . 1 1 100 100 VAL N N 599 130.705 130.705 128.996 1.709 18466 7167 1 10 . 1 1 100 100 VAL HA H 599 5.043 5.043 5.126 -0.083 18466 7168 1 10 . 1 1 100 100 VAL C C 599 173.758 173.758 175.005 -1.247 18466 7169 1 10 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.464 -0.358 18466 7170 1 10 . 1 1 100 100 VAL CB C 599 32.772 32.772 33.454 -0.682 18466 7171 1 10 . 1 1 100 100 VAL H H 599 9.330 9.330 7.909 1.421 18466 7172 1 10 . 1 1 101 101 SER N N 600 119.932 119.932 121.586 -1.654 18466 7173 1 10 . 1 1 101 101 SER HA H 600 4.942 4.942 4.923 0.019 18466 7174 1 10 . 1 1 101 101 SER C C 600 171.934 171.934 171.896 0.038 18466 7175 1 10 . 1 1 101 101 SER CA C 600 56.624 56.624 56.862 -0.238 18466 7176 1 10 . 1 1 101 101 SER CB C 600 67.420 67.420 66.846 0.574 18466 7177 1 10 . 1 1 101 101 SER H H 600 9.016 9.016 9.037 -0.021 18466 7178 1 10 . 1 1 102 102 LEU N N 601 122.984 122.984 122.647 0.337 18466 7179 1 10 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.206 -0.159 18466 7180 1 10 . 1 1 102 102 LEU C C 601 175.753 175.753 174.542 1.211 18466 7181 1 10 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.197 0.097 18466 7182 1 10 . 1 1 102 102 LEU CB C 601 45.099 45.099 45.621 -0.522 18466 7183 1 10 . 1 1 102 102 LEU H H 601 7.919 7.919 9.013 -1.094 18466 7184 1 10 . 1 1 103 103 LYS N N 602 126.471 126.471 126.639 -0.168 18466 7185 1 10 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.610 -0.155 18466 7186 1 10 . 1 1 103 103 LYS CA C 602 55.698 55.698 56.126 -0.428 18466 7187 1 10 . 1 1 103 103 LYS CB C 602 35.012 35.012 33.832 1.180 18466 7188 1 10 . 1 1 103 103 LYS H H 602 8.335 8.335 9.116 -0.781 18466 7189 1 10 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.378 -0.085 18466 7190 1 10 . 1 1 104 104 ASN C C 603 174.155 174.155 174.675 -0.520 18466 7191 1 10 . 1 1 104 104 ASN CA C 603 54.747 54.747 53.895 0.852 18466 7192 1 10 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.490 -0.314 18466 7193 1 10 . 1 1 105 105 ASN N N 604 108.810 108.810 111.408 -2.598 18466 7194 1 10 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.279 -0.112 18466 7195 1 10 . 1 1 105 105 ASN C C 604 173.758 173.758 174.114 -0.356 18466 7196 1 10 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.517 0.658 18466 7197 1 10 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.522 -0.315 18466 7198 1 10 . 1 1 105 105 ASN H H 604 8.680 8.680 8.435 0.245 18466 7199 1 10 . 1 1 106 106 VAL N N 605 121.572 121.572 121.605 -0.033 18466 7200 1 10 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.190 0.098 18466 7201 1 10 . 1 1 106 106 VAL C C 605 176.336 176.336 174.677 1.659 18466 7202 1 10 . 1 1 106 106 VAL CA C 605 62.139 62.139 62.416 -0.277 18466 7203 1 10 . 1 1 106 106 VAL CB C 605 34.436 34.436 32.510 1.926 18466 7204 1 10 . 1 1 106 106 VAL H H 605 7.908 7.908 7.433 0.475 18466 7205 1 10 . 1 1 107 107 VAL N N 606 133.223 133.223 128.692 4.531 18466 7206 1 10 . 1 1 107 107 VAL HA H 606 4.627 4.627 5.191 -0.564 18466 7207 1 10 . 1 1 107 107 VAL C C 606 174.704 174.704 174.562 0.142 18466 7208 1 10 . 1 1 107 107 VAL CA C 606 61.787 61.787 59.600 2.187 18466 7209 1 10 . 1 1 107 107 VAL CB C 606 32.211 32.211 34.038 -1.827 18466 7210 1 10 . 1 1 107 107 VAL H H 606 9.418 9.418 8.723 0.695 18466 7211 1 10 . 1 1 108 108 SER N N 607 120.743 120.743 124.414 -3.671 18466 7212 1 10 . 1 1 108 108 SER HA H 607 5.365 5.365 5.193 0.172 18466 7213 1 10 . 1 1 108 108 SER C C 607 171.934 171.934 172.264 -0.330 18466 7214 1 10 . 1 1 108 108 SER CA C 607 56.958 56.958 56.280 0.678 18466 7215 1 10 . 1 1 108 108 SER CB C 607 66.469 66.469 66.185 0.284 18466 7216 1 10 . 1 1 108 108 SER H H 607 9.123 9.123 8.982 0.141 18466 7217 1 10 . 1 1 109 109 VAL N N 608 121.138 121.138 122.071 -0.933 18466 7218 1 10 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.761 0.019 18466 7219 1 10 . 1 1 109 109 VAL C C 608 173.903 173.903 175.300 -1.397 18466 7220 1 10 . 1 1 109 109 VAL CA C 608 57.399 57.399 59.791 -2.392 18466 7221 1 10 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.360 0.602 18466 7222 1 10 . 1 1 109 109 VAL H H 608 9.144 9.144 8.799 0.345 18466 7223 1 10 . 1 1 110 110 ASN N N 609 128.266 128.266 127.897 0.369 18466 7224 1 10 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.281 -0.016 18466 7225 1 10 . 1 1 110 110 ASN C C 609 175.296 175.296 174.823 0.473 18466 7226 1 10 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.624 -0.616 18466 7227 1 10 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.551 -0.630 18466 7228 1 10 . 1 1 110 110 ASN H H 609 9.783 9.783 9.567 0.216 18466 7229 1 10 . 1 1 111 111 LYS N N 610 107.513 107.513 112.292 -4.779 18466 7230 1 10 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.974 -0.326 18466 7231 1 10 . 1 1 111 111 LYS C C 610 175.617 175.617 175.377 0.240 18466 7232 1 10 . 1 1 111 111 LYS CA C 610 58.403 58.403 57.940 0.463 18466 7233 1 10 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.973 -1.452 18466 7234 1 10 . 1 1 111 111 LYS H H 610 8.302 8.302 8.346 -0.044 18466 7235 1 10 . 1 1 112 112 GLU N N 611 125.401 125.401 120.120 5.281 18466 7236 1 10 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.707 0.092 18466 7237 1 10 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.255 -0.350 18466 7238 1 10 . 1 1 112 112 GLU H H 611 8.565 8.565 7.633 0.932 18466 7239 1 10 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.607 0.079 18466 7240 1 10 . 1 1 113 113 PRO C C 612 177.464 177.464 176.513 0.951 18466 7241 1 10 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.556 0.107 18466 7242 1 10 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.177 -0.026 18466 7243 1 10 . 1 1 114 114 VAL N N 613 124.842 124.842 122.773 2.069 18466 7244 1 10 . 1 1 114 114 VAL HA H 613 4.284 4.284 3.977 0.307 18466 7245 1 10 . 1 1 114 114 VAL C C 613 176.520 176.520 176.607 -0.087 18466 7246 1 10 . 1 1 114 114 VAL CA C 613 62.290 62.290 62.657 -0.367 18466 7247 1 10 . 1 1 114 114 VAL CB C 613 32.203 32.203 31.700 0.503 18466 7248 1 10 . 1 1 114 114 VAL H H 613 9.226 9.226 8.373 0.853 18466 7249 1 10 . 1 1 115 115 ALA N N 614 132.511 132.511 132.742 -0.231 18466 7250 1 10 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.240 0.097 18466 7251 1 10 . 1 1 115 115 ALA C C 614 178.395 178.395 177.434 0.961 18466 7252 1 10 . 1 1 115 115 ALA CA C 614 54.022 54.022 54.071 -0.049 18466 7253 1 10 . 1 1 115 115 ALA CB C 614 19.663 19.663 19.798 -0.135 18466 7254 1 10 . 1 1 115 115 ALA H H 614 8.910 8.910 8.937 -0.027 18466 7255 1 10 . 1 1 116 116 GLU N N 615 115.091 115.091 115.762 -0.671 18466 7256 1 10 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.835 0.038 18466 7257 1 10 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.571 -0.083 18466 7258 1 10 . 1 1 116 116 GLU H H 615 6.869 6.869 7.838 -0.969 18466 7259 1 10 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.062 0.582 18466 7260 1 10 . 1 1 117 117 PRO C C 616 177.124 177.124 176.548 0.576 18466 7261 1 10 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.312 -0.274 18466 7262 1 10 . 1 1 117 117 PRO CB C 616 33.662 33.662 32.682 0.980 18466 7263 1 10 . 1 1 118 118 ASP N N 617 114.361 114.361 117.906 -3.545 18466 7264 1 10 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.192 -0.307 18466 7265 1 10 . 1 1 118 118 ASP C C 617 174.982 174.982 175.074 -0.092 18466 7266 1 10 . 1 1 118 118 ASP CA C 617 54.875 54.875 54.998 -0.123 18466 7267 1 10 . 1 1 118 118 ASP CB C 617 37.661 37.661 40.201 -2.540 18466 7268 1 10 . 1 1 118 118 ASP H H 617 9.745 9.745 8.306 1.439 18466 7269 1 10 . 1 1 119 119 ILE N N 618 121.057 121.057 120.511 0.546 18466 7270 1 10 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.146 -0.107 18466 7271 1 10 . 1 1 119 119 ILE C C 618 175.857 175.857 175.329 0.528 18466 7272 1 10 . 1 1 119 119 ILE CA C 618 62.841 62.841 61.148 1.693 18466 7273 1 10 . 1 1 119 119 ILE CB C 618 36.496 36.496 38.470 -1.974 18466 7274 1 10 . 1 1 119 119 ILE H H 618 8.754 8.754 7.819 0.935 18466 7275 1 10 . 1 1 120 120 MET N N 619 125.664 125.664 127.598 -1.934 18466 7276 1 10 . 1 1 120 120 MET HA H 619 4.604 4.604 4.436 0.168 18466 7277 1 10 . 1 1 120 120 MET C C 619 174.825 174.825 175.498 -0.673 18466 7278 1 10 . 1 1 120 120 MET CA C 619 55.006 55.006 54.398 0.608 18466 7279 1 10 . 1 1 120 120 MET CB C 619 31.457 31.457 31.437 0.020 18466 7280 1 10 . 1 1 120 120 MET H H 619 8.077 8.077 8.724 -0.647 18466 7281 1 10 . 1 1 121 121 ALA N N 620 122.929 122.929 127.116 -4.187 18466 7282 1 10 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.851 0.044 18466 7283 1 10 . 1 1 121 121 ALA C C 620 177.945 177.945 176.954 0.991 18466 7284 1 10 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.849 -0.826 18466 7285 1 10 . 1 1 121 121 ALA CB C 620 23.030 23.030 21.929 1.101 18466 7286 1 10 . 1 1 121 121 ALA H H 620 8.386 8.386 8.119 0.267 18466 7287 1 10 . 1 1 122 122 THR N N 621 111.051 111.051 113.900 -2.849 18466 7288 1 10 . 1 1 122 122 THR HA H 621 4.046 4.046 4.255 -0.209 18466 7289 1 10 . 1 1 122 122 THR C C 621 176.366 176.366 175.084 1.282 18466 7290 1 10 . 1 1 122 122 THR CA C 621 64.526 64.526 64.231 0.295 18466 7291 1 10 . 1 1 122 122 THR CB C 621 68.423 68.423 69.153 -0.730 18466 7292 1 10 . 1 1 122 122 THR H H 621 9.176 9.176 8.918 0.258 18466 7293 1 10 . 1 1 123 123 ASN N N 622 117.402 117.402 116.685 0.717 18466 7294 1 10 . 1 1 123 123 ASN HA H 622 5.034 5.034 5.070 -0.036 18466 7295 1 10 . 1 1 123 123 ASN C C 622 173.258 173.258 174.560 -1.302 18466 7296 1 10 . 1 1 123 123 ASN CA C 622 51.163 51.163 51.660 -0.497 18466 7297 1 10 . 1 1 123 123 ASN CB C 622 37.038 37.038 38.971 -1.933 18466 7298 1 10 . 1 1 123 123 ASN H H 622 7.970 7.970 8.166 -0.196 18466 7299 1 10 . 1 1 124 124 GLY N N 623 102.697 102.697 107.058 -4.361 18466 7300 1 10 . 1 1 124 124 GLY C C 623 169.960 169.960 171.879 -1.919 18466 7301 1 10 . 1 1 124 124 GLY CA C 623 46.700 46.700 44.922 1.778 18466 7302 1 10 . 1 1 124 124 GLY H H 623 6.916 6.916 7.252 -0.336 18466 7303 1 10 . 1 1 125 125 VAL N N 624 120.074 120.074 119.020 1.054 18466 7304 1 10 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.099 -0.217 18466 7305 1 10 . 1 1 125 125 VAL C C 624 170.860 170.860 173.219 -2.359 18466 7306 1 10 . 1 1 125 125 VAL CA C 624 58.597 58.597 59.217 -0.620 18466 7307 1 10 . 1 1 125 125 VAL CB C 624 34.915 34.915 36.032 -1.117 18466 7308 1 10 . 1 1 125 125 VAL H H 624 8.474 8.474 8.617 -0.143 18466 7309 1 10 . 1 1 126 126 VAL N N 625 127.537 127.537 123.611 3.926 18466 7310 1 10 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.727 -0.086 18466 7311 1 10 . 1 1 126 126 VAL C C 625 172.913 172.913 174.175 -1.262 18466 7312 1 10 . 1 1 126 126 VAL CA C 625 60.474 60.474 59.882 0.592 18466 7313 1 10 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.411 -0.273 18466 7314 1 10 . 1 1 126 126 VAL H H 625 9.093 9.093 8.470 0.623 18466 7315 1 10 . 1 1 127 127 HIS N N 626 124.236 124.236 125.231 -0.995 18466 7316 1 10 . 1 1 127 127 HIS HA H 626 5.499 5.499 4.848 0.651 18466 7317 1 10 . 1 1 127 127 HIS C C 626 175.690 175.690 174.847 0.843 18466 7318 1 10 . 1 1 127 127 HIS CA C 626 53.204 53.204 54.119 -0.915 18466 7319 1 10 . 1 1 127 127 HIS CB C 626 34.315 34.315 31.763 2.552 18466 7320 1 10 . 1 1 127 127 HIS H H 626 8.732 8.732 8.682 0.050 18466 7321 1 10 . 1 1 128 128 VAL N N 627 124.683 124.683 126.628 -1.945 18466 7322 1 10 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.252 0.241 18466 7323 1 10 . 1 1 128 128 VAL C C 627 176.380 176.380 175.867 0.513 18466 7324 1 10 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.591 1.166 18466 7325 1 10 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.273 1.615 18466 7326 1 10 . 1 1 128 128 VAL H H 627 8.827 8.827 8.395 0.432 18466 7327 1 10 . 1 1 129 129 ILE N N 628 121.094 121.094 120.886 0.208 18466 7328 1 10 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.830 0.313 18466 7329 1 10 . 1 1 129 129 ILE C C 628 175.099 175.099 176.396 -1.297 18466 7330 1 10 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.390 0.865 18466 7331 1 10 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.375 1.238 18466 7332 1 10 . 1 1 129 129 ILE H H 628 8.650 8.650 8.876 -0.226 18466 7333 1 10 . 1 1 130 130 THR N N 629 108.406 108.406 113.122 -4.716 18466 7334 1 10 . 1 1 130 130 THR HA H 629 4.666 4.666 4.450 0.216 18466 7335 1 10 . 1 1 130 130 THR C C 629 173.079 173.079 174.184 -1.105 18466 7336 1 10 . 1 1 130 130 THR CA C 629 61.373 61.373 62.486 -1.113 18466 7337 1 10 . 1 1 130 130 THR CB C 629 68.776 68.776 69.592 -0.816 18466 7338 1 10 . 1 1 130 130 THR H H 629 9.359 9.359 8.830 0.529 18466 7339 1 10 . 1 1 131 131 ASN N N 630 117.726 117.726 117.969 -0.243 18466 7340 1 10 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.791 0.029 18466 7341 1 10 . 1 1 131 131 ASN C C 630 172.152 172.152 173.431 -1.279 18466 7342 1 10 . 1 1 131 131 ASN CA C 630 52.538 52.538 51.925 0.613 18466 7343 1 10 . 1 1 131 131 ASN CB C 630 43.071 43.071 41.604 1.467 18466 7344 1 10 . 1 1 131 131 ASN H H 630 7.404 7.404 7.652 -0.248 18466 7345 1 10 . 1 1 132 132 VAL N N 631 118.213 118.213 120.240 -2.027 18466 7346 1 10 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.188 -0.200 18466 7347 1 10 . 1 1 132 132 VAL C C 631 176.686 176.686 175.886 0.800 18466 7348 1 10 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.733 0.626 18466 7349 1 10 . 1 1 132 132 VAL CB C 631 32.611 32.611 32.717 -0.106 18466 7350 1 10 . 1 1 132 132 VAL H H 631 8.137 8.137 8.236 -0.099 18466 7351 1 10 . 1 1 133 133 LEU N N 632 132.179 132.179 128.872 3.307 18466 7352 1 10 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.294 -0.085 18466 7353 1 10 . 1 1 133 133 LEU C C 632 175.569 175.569 176.529 -0.960 18466 7354 1 10 . 1 1 133 133 LEU CA C 632 55.215 55.215 55.448 -0.233 18466 7355 1 10 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.834 -0.361 18466 7356 1 10 . 1 1 133 133 LEU H H 632 10.917 10.917 8.489 2.428 18466 7357 1 10 . 1 1 134 134 GLN N N 633 115.538 115.538 124.383 -8.845 18466 7358 1 10 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.720 0.061 18466 7359 1 10 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.730 -0.338 18466 7360 1 10 . 1 1 134 134 GLN H H 633 7.765 7.765 8.181 -0.416 18466 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 123 2.821 0.409 2.803 18466 2 1 1 "Average Difference" HA 136 0.317 0.022 0.318 18466 3 1 1 "Average Difference" C 123 1.090 0.034 1.093 18466 4 1 1 "Average Difference" CA 132 0.922 -0.286 0.880 18466 5 1 1 "Average Difference" CB 118 1.138 -0.182 1.128 18466 6 1 1 "Average Difference" HN 123 0.615 -0.064 0.614 18466 7 1 2 "Average Difference" N 123 2.575 0.439 2.548 18466 8 1 2 "Average Difference" HA 136 0.310 0.013 0.311 18466 9 1 2 "Average Difference" C 123 1.114 -0.007 1.118 18466 10 1 2 "Average Difference" CA 132 0.907 -0.343 0.843 18466 11 1 2 "Average Difference" CB 118 1.225 -0.168 1.218 18466 12 1 2 "Average Difference" HN 123 0.660 -0.112 0.653 18466 13 1 3 "Average Difference" N 123 2.665 0.609 2.605 18466 14 1 3 "Average Difference" HA 136 0.332 0.008 0.333 18466 15 1 3 "Average Difference" C 123 1.067 -0.038 1.070 18466 16 1 3 "Average Difference" CA 132 0.915 -0.262 0.880 18466 17 1 3 "Average Difference" CB 118 1.276 -0.139 1.274 18466 18 1 3 "Average Difference" HN 123 0.610 -0.060 0.610 18466 19 1 4 "Average Difference" N 123 2.800 0.559 2.755 18466 20 1 4 "Average Difference" HA 136 0.310 0.008 0.311 18466 21 1 4 "Average Difference" C 123 1.185 0.013 1.189 18466 22 1 4 "Average Difference" CA 132 0.859 -0.244 0.826 18466 23 1 4 "Average Difference" CB 118 1.225 -0.196 1.214 18466 24 1 4 "Average Difference" HN 123 0.642 -0.101 0.637 18466 25 1 5 "Average Difference" N 123 2.720 0.662 2.649 18466 26 1 5 "Average Difference" HA 136 0.319 0.032 0.318 18466 27 1 5 "Average Difference" C 123 1.105 -0.005 1.110 18466 28 1 5 "Average Difference" CA 132 0.925 -0.322 0.871 18466 29 1 5 "Average Difference" CB 118 1.200 -0.241 1.180 18466 30 1 5 "Average Difference" HN 123 0.655 -0.058 0.655 18466 31 1 6 "Average Difference" N 123 2.751 0.542 2.708 18466 32 1 6 "Average Difference" HA 136 0.308 -0.006 0.309 18466 33 1 6 "Average Difference" C 123 1.143 0.065 1.146 18466 34 1 6 "Average Difference" CA 132 0.861 -0.221 0.836 18466 35 1 6 "Average Difference" CB 118 1.195 -0.266 1.170 18466 36 1 6 "Average Difference" HN 123 0.631 -0.088 0.628 18466 37 1 7 "Average Difference" N 123 2.691 0.642 2.624 18466 38 1 7 "Average Difference" HA 136 0.308 0.025 0.309 18466 39 1 7 "Average Difference" C 123 1.095 0.014 1.100 18466 40 1 7 "Average Difference" CA 132 0.870 -0.238 0.840 18466 41 1 7 "Average Difference" CB 118 1.059 -0.167 1.050 18466 42 1 7 "Average Difference" HN 123 0.648 -0.078 0.646 18466 43 1 8 "Average Difference" N 123 2.695 0.650 2.626 18466 44 1 8 "Average Difference" HA 136 0.309 0.017 0.310 18466 45 1 8 "Average Difference" C 123 1.131 0.007 1.135 18466 46 1 8 "Average Difference" CA 132 0.950 -0.212 0.930 18466 47 1 8 "Average Difference" CB 118 1.176 -0.150 1.171 18466 48 1 8 "Average Difference" HN 123 0.649 -0.047 0.650 18466 49 1 9 "Average Difference" N 123 2.714 0.479 2.682 18466 50 1 9 "Average Difference" HA 136 0.309 0.023 0.310 18466 51 1 9 "Average Difference" C 123 1.079 0.048 1.083 18466 52 1 9 "Average Difference" CA 132 0.916 -0.239 0.888 18466 53 1 9 "Average Difference" CB 118 1.073 -0.122 1.070 18466 54 1 9 "Average Difference" HN 123 0.681 -0.103 0.676 18466 55 1 10 "Average Difference" N 123 2.647 0.596 2.590 18466 56 1 10 "Average Difference" HA 136 0.312 0.017 0.312 18466 57 1 10 "Average Difference" C 123 1.089 0.052 1.092 18466 58 1 10 "Average Difference" CA 132 0.854 -0.281 0.809 18466 59 1 10 "Average Difference" CB 118 1.157 -0.182 1.148 18466 60 1 10 "Average Difference" HN 123 0.659 -0.088 0.655 18466 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 18466 _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 3 3 MET C C 502 175.880 175.880 175.622 0.258 18466 2 1 . 1 1 3 3 MET CA C 502 55.950 55.950 55.475 0.475 18466 3 1 . 1 1 3 3 MET CB C 502 34.203 34.203 32.970 1.233 18466 4 1 . 1 1 4 4 GLY N N 503 111.090 111.090 108.482 2.608 18466 5 1 . 1 1 4 4 GLY C C 503 174.009 174.009 173.156 0.853 18466 6 1 . 1 1 4 4 GLY CA C 503 44.477 44.477 44.669 -0.193 18466 7 1 . 1 1 4 4 GLY H H 503 8.375 8.375 8.108 0.267 18466 8 1 . 1 1 5 5 THR N N 504 111.543 111.543 114.045 -2.502 18466 9 1 . 1 1 5 5 THR HA H 504 4.437 4.437 4.612 -0.175 18466 10 1 . 1 1 5 5 THR C C 504 176.361 176.361 176.201 0.160 18466 11 1 . 1 1 5 5 THR CA C 504 61.972 61.972 60.842 1.130 18466 12 1 . 1 1 5 5 THR CB C 504 73.041 73.041 70.762 2.279 18466 13 1 . 1 1 5 5 THR H H 504 9.227 9.227 8.119 1.107 18466 14 1 . 1 1 6 6 VAL N N 505 118.236 118.236 119.803 -1.567 18466 15 1 . 1 1 6 6 VAL HA H 505 3.253 3.253 3.667 -0.414 18466 16 1 . 1 1 6 6 VAL C C 505 177.287 177.287 177.533 -0.246 18466 17 1 . 1 1 6 6 VAL CA C 505 67.124 67.124 66.326 0.798 18466 18 1 . 1 1 6 6 VAL CB C 505 31.497 31.497 31.521 -0.024 18466 19 1 . 1 1 6 6 VAL H H 505 9.896 9.896 8.853 1.044 18466 20 1 . 1 1 7 7 MET N N 506 114.146 114.146 116.920 -2.774 18466 21 1 . 1 1 7 7 MET HA H 506 4.358 4.358 4.175 0.183 18466 22 1 . 1 1 7 7 MET C C 506 178.126 178.126 178.099 0.027 18466 23 1 . 1 1 7 7 MET CA C 506 56.050 56.050 57.330 -1.280 18466 24 1 . 1 1 7 7 MET CB C 506 30.608 30.608 31.249 -0.641 18466 25 1 . 1 1 7 7 MET H H 506 6.970 6.970 7.994 -1.024 18466 26 1 . 1 1 8 8 ASP N N 507 120.413 120.413 120.150 0.263 18466 27 1 . 1 1 8 8 ASP HA H 507 4.253 4.253 4.460 -0.207 18466 28 1 . 1 1 8 8 ASP C C 507 179.824 179.824 178.572 1.252 18466 29 1 . 1 1 8 8 ASP CA C 507 58.147 58.147 57.268 0.879 18466 30 1 . 1 1 8 8 ASP CB C 507 40.478 40.478 40.961 -0.483 18466 31 1 . 1 1 8 8 ASP H H 507 7.433 7.433 7.648 -0.215 18466 32 1 . 1 1 9 9 VAL N N 508 121.366 121.366 119.797 1.569 18466 33 1 . 1 1 9 9 VAL HA H 508 3.565 3.565 3.739 -0.174 18466 34 1 . 1 1 9 9 VAL C C 508 179.112 179.112 178.117 0.995 18466 35 1 . 1 1 9 9 VAL CA C 508 66.149 66.149 66.237 -0.088 18466 36 1 . 1 1 9 9 VAL CB C 508 31.570 31.570 31.822 -0.252 18466 37 1 . 1 1 9 9 VAL H H 508 8.157 8.157 7.742 0.415 18466 38 1 . 1 1 10 10 LEU N N 509 117.252 117.252 118.648 -1.396 18466 39 1 . 1 1 10 10 LEU HA H 509 4.022 4.022 4.385 -0.363 18466 40 1 . 1 1 10 10 LEU C C 509 179.092 179.092 178.807 0.285 18466 41 1 . 1 1 10 10 LEU CA C 509 57.344 57.344 57.660 -0.316 18466 42 1 . 1 1 10 10 LEU CB C 509 41.922 41.922 41.317 0.605 18466 43 1 . 1 1 10 10 LEU H H 509 7.859 7.859 7.972 -0.113 18466 44 1 . 1 1 11 11 LYS N N 510 114.815 114.815 116.829 -2.014 18466 45 1 . 1 1 11 11 LYS HA H 510 3.954 3.954 4.278 -0.324 18466 46 1 . 1 1 11 11 LYS C C 510 178.026 178.026 178.143 -0.117 18466 47 1 . 1 1 11 11 LYS CA C 510 59.144 59.144 57.919 1.225 18466 48 1 . 1 1 11 11 LYS CB C 510 32.697 32.697 32.493 0.204 18466 49 1 . 1 1 11 11 LYS H H 510 8.376 8.376 7.713 0.663 18466 50 1 . 1 1 12 12 GLY N N 511 104.635 104.635 106.763 -2.128 18466 51 1 . 1 1 12 12 GLY C C 511 172.558 172.558 173.768 -1.210 18466 52 1 . 1 1 12 12 GLY CA C 511 45.505 45.505 44.887 0.618 18466 53 1 . 1 1 12 12 GLY H H 511 7.593 7.593 7.708 -0.115 18466 54 1 . 1 1 13 13 ASP N N 512 120.111 120.111 118.955 1.156 18466 55 1 . 1 1 13 13 ASP HA H 512 4.995 4.995 4.677 0.318 18466 56 1 . 1 1 13 13 ASP CA C 512 52.583 52.583 52.493 0.090 18466 57 1 . 1 1 13 13 ASP CB C 512 43.957 43.957 43.262 0.695 18466 58 1 . 1 1 13 13 ASP H H 512 7.065 7.065 7.297 -0.232 18466 59 1 . 1 1 14 14 ASN HA H 513 4.448 4.448 4.488 -0.040 18466 60 1 . 1 1 14 14 ASN C C 513 176.736 176.736 176.619 0.117 18466 61 1 . 1 1 14 14 ASN CA C 513 55.892 55.892 55.478 0.414 18466 62 1 . 1 1 14 14 ASN CB C 513 38.085 38.085 38.710 -0.625 18466 63 1 . 1 1 15 15 ARG N N 514 118.917 118.917 119.388 -0.471 18466 64 1 . 1 1 15 15 ARG HA H 514 4.169 4.169 4.264 -0.096 18466 65 1 . 1 1 15 15 ARG C C 514 176.145 176.145 178.364 -2.219 18466 66 1 . 1 1 15 15 ARG CA C 514 58.062 58.062 58.152 -0.090 18466 67 1 . 1 1 15 15 ARG CB C 514 30.666 30.666 30.138 0.528 18466 68 1 . 1 1 15 15 ARG H H 514 8.581 8.581 8.155 0.426 18466 69 1 . 1 1 16 16 PHE N N 515 113.226 113.226 118.371 -5.145 18466 70 1 . 1 1 16 16 PHE HA H 515 5.779 5.779 4.685 1.094 18466 71 1 . 1 1 16 16 PHE C C 515 176.587 176.587 177.712 -1.125 18466 72 1 . 1 1 16 16 PHE CA C 515 56.064 56.064 56.859 -0.795 18466 73 1 . 1 1 16 16 PHE CB C 515 38.571 38.571 37.712 0.859 18466 74 1 . 1 1 16 16 PHE H H 515 7.600 7.600 8.660 -1.060 18466 75 1 . 1 1 17 17 SER N N 516 116.620 116.620 116.132 0.488 18466 76 1 . 1 1 17 17 SER HA H 516 4.049 4.049 4.196 -0.147 18466 77 1 . 1 1 17 17 SER C C 516 178.564 178.564 176.275 2.289 18466 78 1 . 1 1 17 17 SER CA C 516 62.683 62.683 61.616 1.067 18466 79 1 . 1 1 17 17 SER CB C 516 62.150 62.150 62.861 -0.711 18466 80 1 . 1 1 17 17 SER H H 516 7.532 7.532 7.805 -0.273 18466 81 1 . 1 1 18 18 MET N N 517 124.356 124.356 120.066 4.290 18466 82 1 . 1 1 18 18 MET HA H 517 3.991 3.991 4.152 -0.161 18466 83 1 . 1 1 18 18 MET C C 517 178.066 178.066 177.848 0.218 18466 84 1 . 1 1 18 18 MET CA C 517 59.462 59.462 58.060 1.402 18466 85 1 . 1 1 18 18 MET CB C 517 31.596 31.596 32.143 -0.547 18466 86 1 . 1 1 18 18 MET H H 517 9.291 9.291 7.632 1.659 18466 87 1 . 1 1 19 19 LEU N N 518 123.835 123.835 121.147 2.688 18466 88 1 . 1 1 19 19 LEU HA H 518 3.921 3.921 4.095 -0.174 18466 89 1 . 1 1 19 19 LEU C C 518 178.217 178.217 178.305 -0.088 18466 90 1 . 1 1 19 19 LEU CA C 518 58.140 58.140 58.007 0.133 18466 91 1 . 1 1 19 19 LEU CB C 518 41.332 41.332 41.537 -0.205 18466 92 1 . 1 1 19 19 LEU H H 518 8.615 8.615 7.574 1.041 18466 93 1 . 1 1 20 20 VAL N N 519 118.876 118.876 119.271 -0.395 18466 94 1 . 1 1 20 20 VAL HA H 519 3.305 3.305 3.564 -0.259 18466 95 1 . 1 1 20 20 VAL C C 519 178.174 178.174 177.837 0.337 18466 96 1 . 1 1 20 20 VAL CA C 519 67.850 67.850 66.847 1.003 18466 97 1 . 1 1 20 20 VAL CB C 519 31.701 31.701 31.038 0.663 18466 98 1 . 1 1 20 20 VAL H H 519 9.059 9.059 8.174 0.885 18466 99 1 . 1 1 21 21 ALA N N 520 122.184 122.184 121.751 0.433 18466 100 1 . 1 1 21 21 ALA HA H 520 4.156 4.156 4.033 0.123 18466 101 1 . 1 1 21 21 ALA C C 520 180.310 180.310 179.105 1.205 18466 102 1 . 1 1 21 21 ALA CA C 520 55.066 55.066 54.978 0.088 18466 103 1 . 1 1 21 21 ALA CB C 520 17.806 17.806 17.998 -0.192 18466 104 1 . 1 1 21 21 ALA H H 520 7.482 7.482 7.557 -0.075 18466 105 1 . 1 1 22 22 ALA N N 521 123.379 123.379 122.109 1.269 18466 106 1 . 1 1 22 22 ALA HA H 521 4.102 4.102 4.004 0.098 18466 107 1 . 1 1 22 22 ALA C C 521 178.705 178.705 179.584 -0.879 18466 108 1 . 1 1 22 22 ALA CA C 521 54.908 54.908 54.960 -0.052 18466 109 1 . 1 1 22 22 ALA CB C 521 17.871 17.871 18.332 -0.461 18466 110 1 . 1 1 22 22 ALA H H 521 8.286 8.286 7.664 0.622 18466 111 1 . 1 1 23 23 ILE N N 522 120.263 120.263 119.010 1.253 18466 112 1 . 1 1 23 23 ILE HA H 522 3.304 3.304 3.544 -0.240 18466 113 1 . 1 1 23 23 ILE C C 522 178.025 178.025 178.063 -0.038 18466 114 1 . 1 1 23 23 ILE CA C 522 65.979 65.979 65.343 0.636 18466 115 1 . 1 1 23 23 ILE CB C 522 38.367 38.367 37.580 0.787 18466 116 1 . 1 1 23 23 ILE H H 522 8.900 8.900 8.544 0.356 18466 117 1 . 1 1 24 24 GLN N N 523 118.959 118.959 119.594 -0.635 18466 118 1 . 1 1 24 24 GLN HA H 523 4.188 4.188 4.085 0.103 18466 119 1 . 1 1 24 24 GLN C C 523 180.253 180.253 178.641 1.612 18466 120 1 . 1 1 24 24 GLN CA C 523 58.593 58.593 58.661 -0.068 18466 121 1 . 1 1 24 24 GLN CB C 523 27.632 27.632 28.512 -0.880 18466 122 1 . 1 1 24 24 GLN H H 523 7.898 7.898 8.282 -0.384 18466 123 1 . 1 1 25 25 SER N N 524 118.150 118.150 114.978 3.173 18466 124 1 . 1 1 25 25 SER HA H 524 4.188 4.188 4.274 -0.086 18466 125 1 . 1 1 25 25 SER C C 524 175.635 175.635 175.864 -0.229 18466 126 1 . 1 1 25 25 SER CA C 524 61.732 61.732 60.513 1.219 18466 127 1 . 1 1 25 25 SER CB C 524 63.140 63.140 63.234 -0.093 18466 128 1 . 1 1 25 25 SER H H 524 8.405 8.405 7.907 0.498 18466 129 1 . 1 1 26 26 ALA N N 525 119.360 119.360 121.488 -2.128 18466 130 1 . 1 1 26 26 ALA HA H 525 4.368 4.368 4.361 0.007 18466 131 1 . 1 1 26 26 ALA C C 525 176.960 176.960 177.817 -0.857 18466 132 1 . 1 1 26 26 ALA CA C 525 52.156 52.156 52.564 -0.408 18466 133 1 . 1 1 26 26 ALA CB C 525 19.947 19.947 19.660 0.287 18466 134 1 . 1 1 26 26 ALA H H 525 8.277 8.277 7.857 0.420 18466 135 1 . 1 1 27 27 GLY N N 526 105.968 105.968 106.566 -0.598 18466 136 1 . 1 1 27 27 GLY C C 526 176.602 176.602 175.057 1.545 18466 137 1 . 1 1 27 27 GLY CA C 526 46.475 46.475 45.164 1.311 18466 138 1 . 1 1 27 27 GLY H H 526 7.789 7.789 7.826 -0.037 18466 139 1 . 1 1 28 28 LEU N N 527 118.466 118.466 118.436 0.031 18466 140 1 . 1 1 28 28 LEU HA H 527 4.453 4.453 4.661 -0.208 18466 141 1 . 1 1 28 28 LEU C C 527 175.805 175.805 177.525 -1.720 18466 142 1 . 1 1 28 28 LEU CA C 527 54.816 54.816 53.960 0.856 18466 143 1 . 1 1 28 28 LEU CB C 527 45.181 45.181 41.121 4.060 18466 144 1 . 1 1 28 28 LEU H H 527 8.088 8.088 8.019 0.069 18466 145 1 . 1 1 29 29 THR N N 528 118.037 118.037 115.352 2.685 18466 146 1 . 1 1 29 29 THR HA H 528 3.539 3.539 3.955 -0.416 18466 147 1 . 1 1 29 29 THR C C 528 175.526 175.526 175.692 -0.166 18466 148 1 . 1 1 29 29 THR CA C 528 66.828 66.828 66.325 0.503 18466 149 1 . 1 1 29 29 THR CB C 528 68.754 68.754 68.534 0.220 18466 150 1 . 1 1 29 29 THR H H 528 7.593 7.593 8.095 -0.502 18466 151 1 . 1 1 30 30 GLU N N 529 117.711 117.711 119.579 -1.868 18466 152 1 . 1 1 30 30 GLU HA H 529 3.972 3.972 4.102 -0.130 18466 153 1 . 1 1 30 30 GLU C C 529 179.395 179.395 178.202 1.193 18466 154 1 . 1 1 30 30 GLU CA C 529 59.788 59.788 59.088 0.699 18466 155 1 . 1 1 30 30 GLU CB C 529 28.458 28.458 28.796 -0.338 18466 156 1 . 1 1 30 30 GLU H H 529 8.304 8.304 8.600 -0.296 18466 157 1 . 1 1 31 31 THR N N 530 116.155 116.155 115.743 0.412 18466 158 1 . 1 1 31 31 THR HA H 530 3.756 3.756 4.048 -0.292 18466 159 1 . 1 1 31 31 THR C C 530 175.838 175.838 175.862 -0.024 18466 160 1 . 1 1 31 31 THR CA C 530 67.156 67.156 66.181 0.975 18466 161 1 . 1 1 31 31 THR CB C 530 69.159 69.159 68.784 0.375 18466 162 1 . 1 1 31 31 THR H H 530 7.692 7.692 7.640 0.052 18466 163 1 . 1 1 32 32 LEU N N 531 116.655 116.655 118.111 -1.456 18466 164 1 . 1 1 32 32 LEU HA H 531 3.921 3.921 4.008 -0.087 18466 165 1 . 1 1 32 32 LEU C C 531 176.177 176.177 176.925 -0.748 18466 166 1 . 1 1 32 32 LEU CA C 531 55.553 55.553 54.792 0.761 18466 167 1 . 1 1 32 32 LEU CB C 531 41.533 41.533 40.148 1.385 18466 168 1 . 1 1 32 32 LEU H H 531 7.103 7.103 7.467 -0.365 18466 169 1 . 1 1 33 33 ASN N N 532 118.711 118.711 117.627 1.084 18466 170 1 . 1 1 33 33 ASN HA H 532 4.976 4.976 4.598 0.378 18466 171 1 . 1 1 33 33 ASN C C 532 174.819 174.819 175.435 -0.616 18466 172 1 . 1 1 33 33 ASN CA C 532 52.121 52.121 53.909 -1.788 18466 173 1 . 1 1 33 33 ASN CB C 532 40.989 40.989 39.474 1.515 18466 174 1 . 1 1 33 33 ASN H H 532 7.735 7.735 7.429 0.306 18466 175 1 . 1 1 34 34 ARG N N 533 119.777 119.777 120.723 -0.946 18466 176 1 . 1 1 34 34 ARG HA H 533 4.529 4.529 4.420 0.109 18466 177 1 . 1 1 34 34 ARG C C 533 175.340 175.340 175.462 -0.122 18466 178 1 . 1 1 34 34 ARG CA C 533 55.624 55.624 55.363 0.261 18466 179 1 . 1 1 34 34 ARG CB C 533 32.805 32.805 31.162 1.643 18466 180 1 . 1 1 34 34 ARG H H 533 7.287 7.287 7.498 -0.211 18466 181 1 . 1 1 35 35 GLU N N 534 120.198 120.198 121.618 -1.420 18466 182 1 . 1 1 35 35 GLU HA H 534 4.235 4.235 4.325 -0.090 18466 183 1 . 1 1 35 35 GLU C C 534 176.305 176.305 176.132 0.173 18466 184 1 . 1 1 35 35 GLU CA C 534 57.738 57.738 56.509 1.229 18466 185 1 . 1 1 35 35 GLU CB C 534 29.694 29.694 30.087 -0.393 18466 186 1 . 1 1 35 35 GLU H H 534 8.517 8.517 8.500 0.017 18466 187 1 . 1 1 36 36 GLY N N 535 111.018 111.018 109.018 2.000 18466 188 1 . 1 1 36 36 GLY C C 535 170.570 170.570 172.261 -1.692 18466 189 1 . 1 1 36 36 GLY CA C 535 44.825 44.825 44.884 -0.059 18466 190 1 . 1 1 36 36 GLY H H 535 7.955 7.955 8.474 -0.519 18466 191 1 . 1 1 37 37 VAL N N 536 114.867 114.867 118.230 -3.363 18466 192 1 . 1 1 37 37 VAL HA H 536 4.128 4.128 4.578 -0.450 18466 193 1 . 1 1 37 37 VAL C C 536 173.020 173.020 173.626 -0.606 18466 194 1 . 1 1 37 37 VAL CA C 536 59.407 59.407 59.970 -0.563 18466 195 1 . 1 1 37 37 VAL CB C 536 33.682 33.682 33.364 0.318 18466 196 1 . 1 1 37 37 VAL H H 536 7.198 7.198 7.803 -0.605 18466 197 1 . 1 1 38 38 TYR N N 537 117.363 117.363 122.126 -4.763 18466 198 1 . 1 1 38 38 TYR HA H 537 5.199 5.199 5.038 0.161 18466 199 1 . 1 1 38 38 TYR C C 537 176.278 176.278 174.918 1.360 18466 200 1 . 1 1 38 38 TYR CA C 537 56.770 56.770 56.978 -0.208 18466 201 1 . 1 1 38 38 TYR CB C 537 42.544 42.544 42.749 -0.205 18466 202 1 . 1 1 38 38 TYR H H 537 7.507 7.507 8.114 -0.607 18466 203 1 . 1 1 39 39 THR N N 538 117.120 117.120 119.637 -2.517 18466 204 1 . 1 1 39 39 THR HA H 538 4.781 4.781 4.768 0.013 18466 205 1 . 1 1 39 39 THR C C 538 173.406 173.406 173.255 0.151 18466 206 1 . 1 1 39 39 THR CA C 538 62.197 62.197 62.010 0.187 18466 207 1 . 1 1 39 39 THR CB C 538 70.922 70.922 69.487 1.435 18466 208 1 . 1 1 39 39 THR H H 538 7.906 7.906 8.948 -1.042 18466 209 1 . 1 1 40 40 VAL N N 539 126.768 126.768 127.181 -0.413 18466 210 1 . 1 1 40 40 VAL HA H 539 4.603 4.603 4.799 -0.196 18466 211 1 . 1 1 40 40 VAL C C 539 174.038 174.038 174.296 -0.258 18466 212 1 . 1 1 40 40 VAL CA C 539 61.168 61.168 60.625 0.543 18466 213 1 . 1 1 40 40 VAL CB C 539 33.995 33.995 33.237 0.758 18466 214 1 . 1 1 40 40 VAL H H 539 9.154 9.154 8.673 0.481 18466 215 1 . 1 1 41 41 PHE N N 540 128.517 128.517 127.311 1.206 18466 216 1 . 1 1 41 41 PHE HA H 540 5.331 5.331 5.095 0.236 18466 217 1 . 1 1 41 41 PHE C C 540 173.429 173.429 175.191 -1.762 18466 218 1 . 1 1 41 41 PHE CA C 540 57.682 57.682 56.594 1.088 18466 219 1 . 1 1 41 41 PHE CB C 540 38.449 38.449 39.564 -1.115 18466 220 1 . 1 1 41 41 PHE H H 540 9.087 9.087 8.786 0.301 18466 221 1 . 1 1 42 42 ALA N N 541 125.981 125.981 129.567 -3.586 18466 222 1 . 1 1 42 42 ALA HA H 541 4.583 4.583 4.736 -0.152 18466 223 1 . 1 1 42 42 ALA CA C 541 48.996 48.996 49.124 -0.129 18466 224 1 . 1 1 42 42 ALA CB C 541 23.007 23.007 19.025 3.981 18466 225 1 . 1 1 42 42 ALA H H 541 8.666 8.666 8.371 0.295 18466 226 1 . 1 1 43 43 PRO HA H 542 5.017 5.017 5.239 -0.222 18466 227 1 . 1 1 43 43 PRO C C 542 177.809 177.809 177.368 0.442 18466 228 1 . 1 1 43 43 PRO CA C 542 61.079 61.079 62.225 -1.147 18466 229 1 . 1 1 43 43 PRO CB C 542 31.835 31.835 31.930 -0.095 18466 230 1 . 1 1 44 44 THR N N 543 112.053 112.053 115.274 -3.221 18466 231 1 . 1 1 44 44 THR HA H 543 4.464 4.464 4.564 -0.100 18466 232 1 . 1 1 44 44 THR C C 543 176.413 176.413 176.175 0.237 18466 233 1 . 1 1 44 44 THR CA C 543 60.762 60.762 60.172 0.590 18466 234 1 . 1 1 44 44 THR CB C 543 71.542 71.542 70.394 1.148 18466 235 1 . 1 1 44 44 THR H H 543 7.731 7.731 8.460 -0.729 18466 236 1 . 1 1 45 45 ASN N N 544 119.183 119.183 118.815 0.368 18466 237 1 . 1 1 45 45 ASN HA H 544 4.700 4.700 4.577 0.123 18466 238 1 . 1 1 45 45 ASN C C 544 178.324 178.324 177.493 0.831 18466 239 1 . 1 1 45 45 ASN CA C 544 56.306 56.306 56.807 -0.501 18466 240 1 . 1 1 45 45 ASN CB C 544 37.206 37.206 38.280 -1.074 18466 241 1 . 1 1 45 45 ASN H H 544 8.883 8.883 8.899 -0.016 18466 242 1 . 1 1 46 46 GLU N N 545 118.549 118.549 119.142 -0.593 18466 243 1 . 1 1 46 46 GLU C C 545 178.200 178.200 177.955 0.245 18466 244 1 . 1 1 46 46 GLU CA C 545 59.936 59.936 59.257 0.679 18466 245 1 . 1 1 46 46 GLU CB C 545 29.347 29.347 28.876 0.471 18466 246 1 . 1 1 46 46 GLU H H 545 8.283 8.283 8.598 -0.315 18466 247 1 . 1 1 47 47 ALA N N 546 122.120 122.120 122.248 -0.128 18466 248 1 . 1 1 47 47 ALA HA H 546 4.044 4.044 4.129 -0.085 18466 249 1 . 1 1 47 47 ALA C C 546 180.432 180.432 179.486 0.946 18466 250 1 . 1 1 47 47 ALA CA C 546 55.069 55.069 54.600 0.469 18466 251 1 . 1 1 47 47 ALA CB C 546 19.593 19.593 18.401 1.192 18466 252 1 . 1 1 47 47 ALA H H 546 7.485 7.485 7.483 0.002 18466 253 1 . 1 1 48 48 PHE N N 547 115.213 115.213 116.820 -1.607 18466 254 1 . 1 1 48 48 PHE HA H 547 4.046 4.046 4.314 -0.268 18466 255 1 . 1 1 48 48 PHE C C 547 179.098 179.098 177.479 1.619 18466 256 1 . 1 1 48 48 PHE CA C 547 62.105 62.105 61.293 0.811 18466 257 1 . 1 1 48 48 PHE CB C 547 39.759 39.759 38.684 1.075 18466 258 1 . 1 1 48 48 PHE H H 547 7.363 7.363 7.523 -0.160 18466 259 1 . 1 1 49 49 ARG N N 548 118.451 118.451 119.539 -1.088 18466 260 1 . 1 1 49 49 ARG HA H 548 3.989 3.989 4.141 -0.152 18466 261 1 . 1 1 49 49 ARG C C 548 176.382 176.382 177.313 -0.931 18466 262 1 . 1 1 49 49 ARG CA C 548 58.915 58.915 57.764 1.151 18466 263 1 . 1 1 49 49 ARG CB C 548 30.150 30.150 30.259 -0.109 18466 264 1 . 1 1 49 49 ARG H H 548 8.266 8.266 7.975 0.291 18466 265 1 . 1 1 50 50 ALA N N 549 118.978 118.978 121.061 -2.083 18466 266 1 . 1 1 50 50 ALA HA H 549 4.279 4.279 4.283 -0.004 18466 267 1 . 1 1 50 50 ALA C C 549 178.745 178.745 177.959 0.786 18466 268 1 . 1 1 50 50 ALA CA C 549 52.652 52.652 52.629 0.023 18466 269 1 . 1 1 50 50 ALA CB C 549 18.947 18.947 19.100 -0.153 18466 270 1 . 1 1 50 50 ALA H H 549 7.416 7.416 7.647 -0.231 18466 271 1 . 1 1 51 51 LEU N N 550 119.842 119.842 121.334 -1.492 18466 272 1 . 1 1 51 51 LEU HA H 550 4.531 4.531 4.462 0.069 18466 273 1 . 1 1 51 51 LEU CA C 550 53.313 53.313 53.028 0.285 18466 274 1 . 1 1 51 51 LEU CB C 550 42.418 42.418 41.994 0.424 18466 275 1 . 1 1 51 51 LEU H H 550 7.138 7.138 7.346 -0.208 18466 276 1 . 1 1 52 52 PRO HA H 551 4.789 4.789 4.765 0.024 18466 277 1 . 1 1 52 52 PRO CA C 551 61.784 61.784 61.544 0.240 18466 278 1 . 1 1 52 52 PRO CB C 551 31.342 31.342 31.365 -0.023 18466 279 1 . 1 1 53 53 PRO HA H 552 4.115 4.115 4.144 -0.029 18466 280 1 . 1 1 53 53 PRO CA C 552 66.346 66.346 66.019 0.327 18466 281 1 . 1 1 53 53 PRO CB C 552 33.383 33.383 31.918 1.465 18466 282 1 . 1 1 54 54 ARG C C 553 179.024 179.024 178.630 0.394 18466 283 1 . 1 1 54 54 ARG CA C 553 59.454 59.454 59.428 0.026 18466 284 1 . 1 1 54 54 ARG CB C 553 29.694 29.694 29.586 0.108 18466 285 1 . 1 1 55 55 GLU N N 554 119.712 119.712 118.846 0.866 18466 286 1 . 1 1 55 55 GLU HA H 554 4.366 4.366 4.126 0.240 18466 287 1 . 1 1 55 55 GLU C C 554 178.437 178.437 178.925 -0.488 18466 288 1 . 1 1 55 55 GLU CA C 554 58.362 58.362 59.223 -0.861 18466 289 1 . 1 1 55 55 GLU CB C 554 29.727 29.727 29.157 0.570 18466 290 1 . 1 1 55 55 GLU H H 554 7.526 7.526 8.055 -0.529 18466 291 1 . 1 1 56 56 ARG N N 555 120.112 120.112 119.431 0.680 18466 292 1 . 1 1 56 56 ARG HA H 555 3.845 3.845 4.090 -0.245 18466 293 1 . 1 1 56 56 ARG C C 555 177.902 177.902 178.758 -0.856 18466 294 1 . 1 1 56 56 ARG CA C 555 60.362 60.362 59.469 0.893 18466 295 1 . 1 1 56 56 ARG CB C 555 30.295 30.295 29.894 0.401 18466 296 1 . 1 1 56 56 ARG H H 555 8.452 8.452 8.656 -0.204 18466 297 1 . 1 1 57 57 SER N N 556 111.829 111.829 115.163 -3.334 18466 298 1 . 1 1 57 57 SER HA H 556 4.138 4.138 4.255 -0.117 18466 299 1 . 1 1 57 57 SER C C 556 177.151 177.151 175.995 1.156 18466 300 1 . 1 1 57 57 SER CA C 556 61.661 61.661 61.333 0.328 18466 301 1 . 1 1 57 57 SER CB C 556 62.874 62.874 62.908 -0.034 18466 302 1 . 1 1 57 57 SER H H 556 8.200 8.200 8.057 0.143 18466 303 1 . 1 1 58 58 ARG N N 557 122.459 122.459 121.446 1.013 18466 304 1 . 1 1 58 58 ARG HA H 557 4.068 4.068 4.130 -0.062 18466 305 1 . 1 1 58 58 ARG C C 557 178.190 178.190 178.913 -0.723 18466 306 1 . 1 1 58 58 ARG CA C 557 59.121 59.121 58.755 0.366 18466 307 1 . 1 1 58 58 ARG CB C 557 30.508 30.508 30.073 0.435 18466 308 1 . 1 1 58 58 ARG H H 557 7.589 7.589 7.457 0.132 18466 309 1 . 1 1 59 59 LEU N N 558 117.826 117.826 121.305 -3.479 18466 310 1 . 1 1 59 59 LEU HA H 558 4.109 4.109 4.158 -0.049 18466 311 1 . 1 1 59 59 LEU C C 558 177.217 177.217 178.317 -1.100 18466 312 1 . 1 1 59 59 LEU CA C 558 57.778 57.778 57.805 -0.027 18466 313 1 . 1 1 59 59 LEU CB C 558 42.428 42.428 42.137 0.291 18466 314 1 . 1 1 59 59 LEU H H 558 8.034 8.034 8.204 -0.170 18466 315 1 . 1 1 60 60 LEU N N 559 112.187 112.187 116.200 -4.013 18466 316 1 . 1 1 60 60 LEU HA H 559 4.211 4.211 4.355 -0.144 18466 317 1 . 1 1 60 60 LEU C C 559 179.037 179.037 177.881 1.156 18466 318 1 . 1 1 60 60 LEU CA C 559 56.250 56.250 55.437 0.813 18466 319 1 . 1 1 60 60 LEU CB C 559 41.186 41.186 41.367 -0.181 18466 320 1 . 1 1 60 60 LEU H H 559 7.844 7.844 8.078 -0.234 18466 321 1 . 1 1 61 61 GLY N N 560 104.550 104.550 106.978 -2.428 18466 322 1 . 1 1 61 61 GLY C C 560 173.292 173.292 173.783 -0.491 18466 323 1 . 1 1 61 61 GLY CA C 560 45.525 45.525 45.066 0.459 18466 324 1 . 1 1 61 61 GLY H H 560 7.565 7.565 7.629 -0.064 18466 325 1 . 1 1 62 62 ASP N N 561 120.720 120.720 121.016 -0.296 18466 326 1 . 1 1 62 62 ASP HA H 561 4.896 4.896 4.829 0.067 18466 327 1 . 1 1 62 62 ASP C C 561 174.791 174.791 175.752 -0.961 18466 328 1 . 1 1 62 62 ASP CA C 561 52.557 52.557 53.263 -0.706 18466 329 1 . 1 1 62 62 ASP CB C 561 42.146 42.146 42.959 -0.813 18466 330 1 . 1 1 62 62 ASP H H 561 7.255 7.255 7.731 -0.476 18466 331 1 . 1 1 63 63 ALA N N 562 126.814 126.814 128.972 -2.158 18466 332 1 . 1 1 63 63 ALA HA H 562 4.041 4.041 4.064 -0.023 18466 333 1 . 1 1 63 63 ALA C C 562 180.100 180.100 178.796 1.304 18466 334 1 . 1 1 63 63 ALA CA C 562 55.682 55.682 54.928 0.754 18466 335 1 . 1 1 63 63 ALA CB C 562 18.903 18.903 18.989 -0.086 18466 336 1 . 1 1 63 63 ALA H H 562 8.674 8.674 8.828 -0.154 18466 337 1 . 1 1 64 64 LYS N N 563 118.169 118.169 118.860 -0.691 18466 338 1 . 1 1 64 64 LYS HA H 563 4.157 4.157 4.065 0.092 18466 339 1 . 1 1 64 64 LYS C C 563 179.513 179.513 178.575 0.938 18466 340 1 . 1 1 64 64 LYS CA C 563 59.404 59.404 59.294 0.110 18466 341 1 . 1 1 64 64 LYS CB C 563 31.966 31.966 32.301 -0.335 18466 342 1 . 1 1 64 64 LYS H H 563 8.143 8.143 8.296 -0.153 18466 343 1 . 1 1 65 65 GLU N N 564 121.540 121.540 119.877 1.663 18466 344 1 . 1 1 65 65 GLU HA H 564 4.265 4.265 4.083 0.181 18466 345 1 . 1 1 65 65 GLU C C 564 179.400 179.400 179.110 0.290 18466 346 1 . 1 1 65 65 GLU CA C 564 58.381 58.381 59.080 -0.700 18466 347 1 . 1 1 65 65 GLU CB C 564 29.262 29.262 29.328 -0.066 18466 348 1 . 1 1 65 65 GLU H H 564 7.812 7.812 8.369 -0.557 18466 349 1 . 1 1 66 66 LEU N N 565 120.816 120.816 120.456 0.360 18466 350 1 . 1 1 66 66 LEU HA H 565 4.114 4.114 3.990 0.124 18466 351 1 . 1 1 66 66 LEU C C 565 178.632 178.632 178.821 -0.189 18466 352 1 . 1 1 66 66 LEU CA C 565 58.006 58.006 58.060 -0.054 18466 353 1 . 1 1 66 66 LEU CB C 565 41.401 41.401 41.617 -0.216 18466 354 1 . 1 1 66 66 LEU H H 565 8.757 8.757 7.899 0.858 18466 355 1 . 1 1 67 67 ALA N N 566 118.909 118.909 120.506 -1.597 18466 356 1 . 1 1 67 67 ALA HA H 566 3.916 3.916 3.928 -0.012 18466 357 1 . 1 1 67 67 ALA C C 566 178.874 178.874 179.500 -0.626 18466 358 1 . 1 1 67 67 ALA CA C 566 55.967 55.967 55.198 0.769 18466 359 1 . 1 1 67 67 ALA CB C 566 18.119 18.119 18.096 0.023 18466 360 1 . 1 1 67 67 ALA H H 566 8.058 8.058 8.049 0.009 18466 361 1 . 1 1 68 68 ASN N N 567 115.314 115.314 117.303 -1.989 18466 362 1 . 1 1 68 68 ASN HA H 567 4.442 4.442 4.537 -0.095 18466 363 1 . 1 1 68 68 ASN C C 567 176.598 176.598 177.684 -1.086 18466 364 1 . 1 1 68 68 ASN CA C 567 57.146 57.146 56.129 1.017 18466 365 1 . 1 1 68 68 ASN CB C 567 39.032 39.032 38.840 0.192 18466 366 1 . 1 1 68 68 ASN H H 567 7.478 7.478 8.021 -0.543 18466 367 1 . 1 1 69 69 ILE N N 568 117.111 117.111 119.694 -2.583 18466 368 1 . 1 1 69 69 ILE HA H 568 3.996 3.996 3.959 0.037 18466 369 1 . 1 1 69 69 ILE C C 568 179.707 179.707 178.191 1.516 18466 370 1 . 1 1 69 69 ILE CA C 568 63.604 63.604 63.352 0.252 18466 371 1 . 1 1 69 69 ILE CB C 568 37.428 37.428 37.317 0.111 18466 372 1 . 1 1 69 69 ILE H H 568 8.027 8.027 8.152 -0.125 18466 373 1 . 1 1 70 70 LEU N N 569 121.388 121.388 120.861 0.527 18466 374 1 . 1 1 70 70 LEU HA H 569 4.100 4.100 4.244 -0.144 18466 375 1 . 1 1 70 70 LEU C C 569 179.729 179.729 179.575 0.154 18466 376 1 . 1 1 70 70 LEU CA C 569 58.592 58.592 57.722 0.870 18466 377 1 . 1 1 70 70 LEU CB C 569 41.914 41.914 41.322 0.592 18466 378 1 . 1 1 70 70 LEU H H 569 8.985 8.985 8.354 0.631 18466 379 1 . 1 1 71 71 LYS N N 570 116.226 116.226 118.741 -2.515 18466 380 1 . 1 1 71 71 LYS HA H 570 3.938 3.938 4.081 -0.143 18466 381 1 . 1 1 71 71 LYS C C 570 177.620 177.620 178.231 -0.611 18466 382 1 . 1 1 71 71 LYS CA C 570 60.800 60.800 59.027 1.773 18466 383 1 . 1 1 71 71 LYS CB C 570 32.441 32.441 32.241 0.200 18466 384 1 . 1 1 71 71 LYS H H 570 8.525 8.525 8.079 0.446 18466 385 1 . 1 1 72 72 TYR N N 571 120.076 120.076 118.205 1.871 18466 386 1 . 1 1 72 72 TYR HA H 571 4.624 4.624 4.447 0.177 18466 387 1 . 1 1 72 72 TYR C C 571 171.915 171.915 176.333 -4.418 18466 388 1 . 1 1 72 72 TYR CA C 571 58.886 58.886 59.081 -0.195 18466 389 1 . 1 1 72 72 TYR CB C 571 38.763 38.763 38.640 0.123 18466 390 1 . 1 1 72 72 TYR H H 571 7.624 7.624 7.802 -0.178 18466 391 1 . 1 1 73 73 HIS N N 572 108.895 108.895 116.233 -7.338 18466 392 1 . 1 1 73 73 HIS HA H 572 4.191 4.191 4.569 -0.378 18466 393 1 . 1 1 73 73 HIS C C 572 173.852 173.852 174.248 -0.396 18466 394 1 . 1 1 73 73 HIS CA C 572 58.870 58.870 58.364 0.506 18466 395 1 . 1 1 73 73 HIS CB C 572 28.158 28.158 30.807 -2.649 18466 396 1 . 1 1 73 73 HIS H H 572 7.532 7.532 7.741 -0.209 18466 397 1 . 1 1 74 74 ILE N N 573 117.580 117.580 119.631 -2.050 18466 398 1 . 1 1 74 74 ILE HA H 573 5.209 5.209 4.689 0.520 18466 399 1 . 1 1 74 74 ILE C C 573 175.691 175.691 174.883 0.808 18466 400 1 . 1 1 74 74 ILE CA C 573 59.627 59.627 60.385 -0.758 18466 401 1 . 1 1 74 74 ILE CB C 573 40.690 40.690 39.550 1.140 18466 402 1 . 1 1 74 74 ILE H H 573 7.310 7.310 7.369 -0.059 18466 403 1 . 1 1 75 75 GLY N N 574 111.704 111.704 113.369 -1.665 18466 404 1 . 1 1 75 75 GLY C C 574 173.963 173.963 173.963 0.001 18466 405 1 . 1 1 75 75 GLY CA C 574 43.935 43.935 43.746 0.189 18466 406 1 . 1 1 75 75 GLY H H 574 10.187 10.187 9.193 0.994 18466 407 1 . 1 1 76 76 ASP N N 575 120.565 120.565 120.110 0.455 18466 408 1 . 1 1 76 76 ASP HA H 575 4.768 4.768 4.666 0.102 18466 409 1 . 1 1 76 76 ASP C C 575 174.774 174.774 175.522 -0.748 18466 410 1 . 1 1 76 76 ASP CA C 575 53.727 53.727 54.494 -0.767 18466 411 1 . 1 1 76 76 ASP CB C 575 40.836 40.836 41.585 -0.749 18466 412 1 . 1 1 76 76 ASP H H 575 8.356 8.356 8.503 -0.147 18466 413 1 . 1 1 77 77 GLU N N 576 114.303 114.303 116.694 -2.391 18466 414 1 . 1 1 77 77 GLU HA H 576 4.471 4.471 4.507 -0.036 18466 415 1 . 1 1 77 77 GLU C C 576 175.374 175.374 175.356 0.018 18466 416 1 . 1 1 77 77 GLU CA C 576 54.487 54.487 54.400 0.087 18466 417 1 . 1 1 77 77 GLU CB C 576 33.319 33.319 32.781 0.538 18466 418 1 . 1 1 77 77 GLU H H 576 7.271 7.271 7.963 -0.692 18466 419 1 . 1 1 78 78 ILE N N 577 120.967 120.967 124.420 -3.453 18466 420 1 . 1 1 78 78 ILE HA H 577 3.577 3.577 4.542 -0.965 18466 421 1 . 1 1 78 78 ILE C C 577 174.824 174.824 175.619 -0.795 18466 422 1 . 1 1 78 78 ILE CA C 577 62.328 62.328 61.186 1.142 18466 423 1 . 1 1 78 78 ILE CB C 577 38.410 38.410 38.234 0.176 18466 424 1 . 1 1 78 78 ILE H H 577 8.498 8.498 8.599 -0.101 18466 425 1 . 1 1 79 79 LEU N N 578 132.772 132.772 131.194 1.579 18466 426 1 . 1 1 79 79 LEU HA H 578 4.772 4.772 4.802 -0.030 18466 427 1 . 1 1 79 79 LEU C C 578 174.159 174.159 175.164 -1.005 18466 428 1 . 1 1 79 79 LEU CA C 578 53.897 53.897 53.592 0.305 18466 429 1 . 1 1 79 79 LEU CB C 578 44.049 44.049 43.511 0.538 18466 430 1 . 1 1 79 79 LEU H H 578 7.992 7.992 8.312 -0.320 18466 431 1 . 1 1 80 80 VAL N N 579 118.382 118.382 122.001 -3.619 18466 432 1 . 1 1 80 80 VAL HA H 579 4.771 4.771 4.692 0.079 18466 433 1 . 1 1 80 80 VAL C C 579 178.418 178.418 176.636 1.782 18466 434 1 . 1 1 80 80 VAL CA C 579 59.503 59.503 60.107 -0.604 18466 435 1 . 1 1 80 80 VAL CB C 579 33.434 33.434 33.769 -0.335 18466 436 1 . 1 1 80 80 VAL H H 579 7.954 7.954 8.310 -0.356 18466 437 1 . 1 1 81 81 SER N N 580 121.875 121.875 118.552 3.323 18466 438 1 . 1 1 81 81 SER HA H 580 3.838 3.838 4.202 -0.364 18466 439 1 . 1 1 81 81 SER C C 580 177.145 177.145 176.280 0.864 18466 440 1 . 1 1 81 81 SER CA C 580 62.909 62.909 61.813 1.096 18466 441 1 . 1 1 81 81 SER CB C 580 62.215 62.215 62.927 -0.712 18466 442 1 . 1 1 81 81 SER H H 580 11.083 11.083 9.288 1.795 18466 443 1 . 1 1 82 82 GLY N N 581 107.458 107.458 106.851 0.607 18466 444 1 . 1 1 82 82 GLY C C 581 174.750 174.750 174.579 0.171 18466 445 1 . 1 1 82 82 GLY CA C 581 45.939 45.939 45.223 0.716 18466 446 1 . 1 1 82 82 GLY H H 581 8.277 8.277 8.293 -0.016 18466 447 1 . 1 1 83 83 GLY N N 582 107.852 107.852 108.297 -0.445 18466 448 1 . 1 1 83 83 GLY C C 582 174.378 174.378 174.854 -0.476 18466 449 1 . 1 1 83 83 GLY CA C 582 44.526 44.526 44.652 -0.126 18466 450 1 . 1 1 83 83 GLY H H 582 8.246 8.246 7.706 0.540 18466 451 1 . 1 1 84 84 ILE N N 583 120.968 120.968 121.136 -0.168 18466 452 1 . 1 1 84 84 ILE HA H 583 3.817 3.817 3.909 -0.092 18466 453 1 . 1 1 84 84 ILE C C 583 175.640 175.640 176.864 -1.224 18466 454 1 . 1 1 84 84 ILE CA C 583 62.947 62.947 63.109 -0.162 18466 455 1 . 1 1 84 84 ILE CB C 583 39.088 39.088 38.489 0.600 18466 456 1 . 1 1 84 84 ILE H H 583 7.306 7.306 7.463 -0.157 18466 457 1 . 1 1 85 85 GLY N N 584 112.093 112.093 107.664 4.429 18466 458 1 . 1 1 85 85 GLY C C 584 173.086 173.086 174.100 -1.014 18466 459 1 . 1 1 85 85 GLY CA C 584 45.544 45.544 45.769 -0.225 18466 460 1 . 1 1 85 85 GLY H H 584 7.947 7.947 8.367 -0.420 18466 461 1 . 1 1 86 86 ALA N N 585 125.044 125.044 123.582 1.462 18466 462 1 . 1 1 86 86 ALA HA H 585 4.314 4.314 4.497 -0.183 18466 463 1 . 1 1 86 86 ALA C C 585 177.355 177.355 175.394 1.961 18466 464 1 . 1 1 86 86 ALA CA C 585 54.149 54.149 52.382 1.767 18466 465 1 . 1 1 86 86 ALA CB C 585 19.671 19.671 20.393 -0.722 18466 466 1 . 1 1 86 86 ALA H H 585 8.295 8.295 8.073 0.222 18466 467 1 . 1 1 87 87 LEU N N 586 118.525 118.525 119.059 -0.534 18466 468 1 . 1 1 87 87 LEU HA H 586 4.713 4.713 5.007 -0.294 18466 469 1 . 1 1 87 87 LEU C C 586 175.568 175.568 174.998 0.570 18466 470 1 . 1 1 87 87 LEU CA C 586 56.164 56.164 54.617 1.547 18466 471 1 . 1 1 87 87 LEU CB C 586 43.695 43.695 45.751 -2.056 18466 472 1 . 1 1 87 87 LEU H H 586 7.804 7.804 7.961 -0.157 18466 473 1 . 1 1 88 88 VAL N N 587 128.017 128.017 124.988 3.029 18466 474 1 . 1 1 88 88 VAL HA H 587 4.303 4.303 4.426 -0.123 18466 475 1 . 1 1 88 88 VAL C C 587 174.137 174.137 174.199 -0.062 18466 476 1 . 1 1 88 88 VAL CA C 587 61.394 61.394 60.701 0.693 18466 477 1 . 1 1 88 88 VAL CB C 587 35.715 35.715 35.615 0.100 18466 478 1 . 1 1 88 88 VAL H H 587 9.514 9.514 9.184 0.330 18466 479 1 . 1 1 89 89 ARG N N 588 125.361 125.361 126.787 -1.426 18466 480 1 . 1 1 89 89 ARG HA H 588 5.264 5.264 4.578 0.686 18466 481 1 . 1 1 89 89 ARG C C 588 174.993 174.993 175.324 -0.331 18466 482 1 . 1 1 89 89 ARG CA C 588 54.767 54.767 55.512 -0.745 18466 483 1 . 1 1 89 89 ARG CB C 588 30.134 30.134 30.135 -0.001 18466 484 1 . 1 1 89 89 ARG H H 588 8.616 8.616 8.537 0.079 18466 485 1 . 1 1 90 90 LEU N N 589 128.011 128.011 127.806 0.205 18466 486 1 . 1 1 90 90 LEU HA H 589 4.568 4.568 4.661 -0.093 18466 487 1 . 1 1 90 90 LEU C C 589 174.937 174.937 175.365 -0.428 18466 488 1 . 1 1 90 90 LEU CA C 589 53.169 53.169 53.380 -0.211 18466 489 1 . 1 1 90 90 LEU CB C 589 46.013 46.013 44.151 1.862 18466 490 1 . 1 1 90 90 LEU H H 589 8.814 8.814 8.785 0.029 18466 491 1 . 1 1 91 91 LYS N N 590 129.467 129.467 126.916 2.551 18466 492 1 . 1 1 91 91 LYS HA H 590 4.028 4.028 4.734 -0.706 18466 493 1 . 1 1 91 91 LYS C C 590 174.523 174.523 176.422 -1.899 18466 494 1 . 1 1 91 91 LYS CA C 590 58.450 58.450 56.029 2.421 18466 495 1 . 1 1 91 91 LYS CB C 590 32.398 32.398 33.249 -0.851 18466 496 1 . 1 1 91 91 LYS H H 590 9.414 9.414 8.920 0.494 18466 497 1 . 1 1 92 92 SER N N 591 121.877 121.877 117.726 4.151 18466 498 1 . 1 1 92 92 SER HA H 591 5.622 5.622 5.100 0.522 18466 499 1 . 1 1 92 92 SER C C 591 178.072 178.072 176.073 1.999 18466 500 1 . 1 1 92 92 SER CA C 591 58.281 58.281 56.592 1.689 18466 501 1 . 1 1 92 92 SER CB C 591 67.446 67.446 65.960 1.486 18466 502 1 . 1 1 92 92 SER H H 591 7.965 7.965 8.804 -0.839 18466 503 1 . 1 1 93 93 LEU N N 592 121.378 121.378 121.294 0.084 18466 504 1 . 1 1 93 93 LEU HA H 592 4.303 4.303 4.209 0.094 18466 505 1 . 1 1 93 93 LEU C C 592 178.509 178.509 178.367 0.143 18466 506 1 . 1 1 93 93 LEU CA C 592 57.264 57.264 57.339 -0.075 18466 507 1 . 1 1 93 93 LEU CB C 592 41.391 41.391 41.140 0.251 18466 508 1 . 1 1 93 93 LEU H H 592 9.327 9.327 8.835 0.492 18466 509 1 . 1 1 94 94 GLN N N 593 119.354 119.354 117.308 2.046 18466 510 1 . 1 1 94 94 GLN C C 593 176.197 176.197 177.217 -1.020 18466 511 1 . 1 1 94 94 GLN CA C 593 56.498 56.498 57.576 -1.078 18466 512 1 . 1 1 94 94 GLN CB C 593 27.279 27.279 29.624 -2.345 18466 513 1 . 1 1 94 94 GLN H H 593 7.526 7.526 7.885 -0.359 18466 514 1 . 1 1 95 95 GLY N N 594 109.497 109.497 107.467 2.030 18466 515 1 . 1 1 95 95 GLY C C 594 174.379 174.379 174.220 0.159 18466 516 1 . 1 1 95 95 GLY CA C 594 45.468 45.468 44.778 0.690 18466 517 1 . 1 1 95 95 GLY H H 594 7.632 7.632 7.921 -0.289 18466 518 1 . 1 1 96 96 ASP N N 595 121.403 121.403 121.607 -0.204 18466 519 1 . 1 1 96 96 ASP HA H 595 4.900 4.900 4.802 0.098 18466 520 1 . 1 1 96 96 ASP C C 595 177.399 177.399 175.144 2.256 18466 521 1 . 1 1 96 96 ASP CA C 595 54.569 54.569 53.572 0.997 18466 522 1 . 1 1 96 96 ASP CB C 595 41.291 41.291 42.590 -1.298 18466 523 1 . 1 1 96 96 ASP H H 595 8.835 8.835 8.021 0.814 18466 524 1 . 1 1 97 97 LYS N N 596 119.362 119.362 119.364 -0.002 18466 525 1 . 1 1 97 97 LYS HA H 596 5.044 5.044 4.772 0.272 18466 526 1 . 1 1 97 97 LYS C C 596 176.620 176.620 175.540 1.080 18466 527 1 . 1 1 97 97 LYS CA C 596 56.128 56.128 54.984 1.144 18466 528 1 . 1 1 97 97 LYS CB C 596 33.880 33.880 34.002 -0.121 18466 529 1 . 1 1 97 97 LYS H H 596 9.018 9.018 8.433 0.585 18466 530 1 . 1 1 98 98 LEU N N 597 125.543 125.543 125.265 0.278 18466 531 1 . 1 1 98 98 LEU HA H 597 4.354 4.354 4.396 -0.042 18466 532 1 . 1 1 98 98 LEU C C 597 176.218 176.218 175.995 0.223 18466 533 1 . 1 1 98 98 LEU CA C 597 53.937 53.937 53.920 0.017 18466 534 1 . 1 1 98 98 LEU CB C 597 45.114 45.114 42.519 2.595 18466 535 1 . 1 1 98 98 LEU H H 597 9.304 9.304 9.168 0.136 18466 536 1 . 1 1 99 99 GLU N N 598 121.122 121.122 126.161 -5.039 18466 537 1 . 1 1 99 99 GLU HA H 598 4.638 4.638 4.383 0.255 18466 538 1 . 1 1 99 99 GLU C C 598 175.099 175.099 175.392 -0.293 18466 539 1 . 1 1 99 99 GLU CA C 598 55.729 55.729 55.826 -0.097 18466 540 1 . 1 1 99 99 GLU CB C 598 30.554 30.554 29.255 1.298 18466 541 1 . 1 1 99 99 GLU H H 598 8.314 8.314 9.207 -0.893 18466 542 1 . 1 1 100 100 VAL N N 599 130.705 130.705 127.840 2.865 18466 543 1 . 1 1 100 100 VAL HA H 599 5.043 5.043 4.999 0.044 18466 544 1 . 1 1 100 100 VAL C C 599 173.758 173.758 175.112 -1.354 18466 545 1 . 1 1 100 100 VAL CA C 599 61.106 61.106 61.471 -0.365 18466 546 1 . 1 1 100 100 VAL CB C 599 32.772 32.772 32.506 0.266 18466 547 1 . 1 1 100 100 VAL H H 599 9.330 9.330 8.087 1.243 18466 548 1 . 1 1 101 101 SER N N 600 119.932 119.932 121.888 -1.956 18466 549 1 . 1 1 101 101 SER HA H 600 4.942 4.942 5.028 -0.086 18466 550 1 . 1 1 101 101 SER C C 600 171.934 171.934 172.119 -0.185 18466 551 1 . 1 1 101 101 SER CA C 600 56.624 56.624 56.522 0.102 18466 552 1 . 1 1 101 101 SER CB C 600 67.420 67.420 66.618 0.802 18466 553 1 . 1 1 101 101 SER H H 600 9.016 9.016 9.080 -0.064 18466 554 1 . 1 1 102 102 LEU N N 601 122.984 122.984 123.680 -0.695 18466 555 1 . 1 1 102 102 LEU HA H 601 5.047 5.047 5.023 0.024 18466 556 1 . 1 1 102 102 LEU C C 601 175.753 175.753 174.697 1.056 18466 557 1 . 1 1 102 102 LEU CA C 601 54.293 54.293 54.465 -0.172 18466 558 1 . 1 1 102 102 LEU CB C 601 45.099 45.099 44.892 0.207 18466 559 1 . 1 1 102 102 LEU H H 601 7.919 7.919 8.775 -0.856 18466 560 1 . 1 1 103 103 LYS N N 602 126.471 126.471 126.189 0.282 18466 561 1 . 1 1 103 103 LYS HA H 602 4.455 4.455 4.687 -0.232 18466 562 1 . 1 1 103 103 LYS CA C 602 55.698 55.698 55.357 0.341 18466 563 1 . 1 1 103 103 LYS CB C 602 35.012 35.012 34.180 0.832 18466 564 1 . 1 1 103 103 LYS H H 602 8.335 8.335 8.889 -0.554 18466 565 1 . 1 1 104 104 ASN HA H 603 4.293 4.293 4.388 -0.095 18466 566 1 . 1 1 104 104 ASN C C 603 174.155 174.155 174.657 -0.502 18466 567 1 . 1 1 104 104 ASN CA C 603 54.747 54.747 54.075 0.672 18466 568 1 . 1 1 104 104 ASN CB C 603 37.176 37.176 37.283 -0.107 18466 569 1 . 1 1 105 105 ASN N N 604 108.810 108.810 110.393 -1.583 18466 570 1 . 1 1 105 105 ASN HA H 604 4.167 4.167 4.301 -0.134 18466 571 1 . 1 1 105 105 ASN C C 604 173.758 173.758 173.738 0.020 18466 572 1 . 1 1 105 105 ASN CA C 604 55.175 55.175 54.709 0.466 18466 573 1 . 1 1 105 105 ASN CB C 604 38.207 38.207 38.209 -0.002 18466 574 1 . 1 1 105 105 ASN H H 604 8.680 8.680 8.475 0.205 18466 575 1 . 1 1 106 106 VAL N N 605 121.572 121.572 120.485 1.087 18466 576 1 . 1 1 106 106 VAL HA H 605 4.288 4.288 4.244 0.043 18466 577 1 . 1 1 106 106 VAL C C 605 176.336 176.336 174.923 1.412 18466 578 1 . 1 1 106 106 VAL CA C 605 62.139 62.139 61.418 0.721 18466 579 1 . 1 1 106 106 VAL CB C 605 34.436 34.436 32.980 1.456 18466 580 1 . 1 1 106 106 VAL H H 605 7.908 7.908 7.662 0.245 18466 581 1 . 1 1 107 107 VAL N N 606 133.223 133.223 129.209 4.014 18466 582 1 . 1 1 107 107 VAL HA H 606 4.627 4.627 4.911 -0.284 18466 583 1 . 1 1 107 107 VAL C C 606 174.704 174.704 175.166 -0.462 18466 584 1 . 1 1 107 107 VAL CA C 606 61.787 61.787 61.161 0.626 18466 585 1 . 1 1 107 107 VAL CB C 606 32.211 32.211 33.153 -0.942 18466 586 1 . 1 1 107 107 VAL H H 606 9.418 9.418 8.694 0.724 18466 587 1 . 1 1 108 108 SER N N 607 120.743 120.743 123.573 -2.830 18466 588 1 . 1 1 108 108 SER HA H 607 5.365 5.365 5.169 0.196 18466 589 1 . 1 1 108 108 SER C C 607 171.934 171.934 172.251 -0.317 18466 590 1 . 1 1 108 108 SER CA C 607 56.958 56.958 56.917 0.041 18466 591 1 . 1 1 108 108 SER CB C 607 66.469 66.469 66.477 -0.008 18466 592 1 . 1 1 108 108 SER H H 607 9.123 9.123 8.939 0.184 18466 593 1 . 1 1 109 109 VAL N N 608 121.138 121.138 122.646 -1.508 18466 594 1 . 1 1 109 109 VAL HA H 608 4.780 4.780 4.704 0.076 18466 595 1 . 1 1 109 109 VAL C C 608 173.903 173.903 174.860 -0.957 18466 596 1 . 1 1 109 109 VAL CA C 608 57.399 57.399 59.953 -2.554 18466 597 1 . 1 1 109 109 VAL CB C 608 33.962 33.962 33.487 0.475 18466 598 1 . 1 1 109 109 VAL H H 608 9.144 9.144 8.877 0.267 18466 599 1 . 1 1 110 110 ASN N N 609 128.266 128.266 127.933 0.333 18466 600 1 . 1 1 110 110 ASN HA H 609 4.265 4.265 4.294 -0.029 18466 601 1 . 1 1 110 110 ASN C C 609 175.296 175.296 174.882 0.414 18466 602 1 . 1 1 110 110 ASN CA C 609 54.008 54.008 54.490 -0.482 18466 603 1 . 1 1 110 110 ASN CB C 609 35.921 35.921 36.651 -0.730 18466 604 1 . 1 1 110 110 ASN H H 609 9.783 9.783 9.267 0.516 18466 605 1 . 1 1 111 111 LYS N N 610 107.513 107.513 111.880 -4.367 18466 606 1 . 1 1 111 111 LYS HA H 610 3.648 3.648 3.928 -0.280 18466 607 1 . 1 1 111 111 LYS C C 610 175.617 175.617 175.697 -0.080 18466 608 1 . 1 1 111 111 LYS CA C 610 58.403 58.403 58.284 0.119 18466 609 1 . 1 1 111 111 LYS CB C 610 30.521 30.521 31.754 -1.233 18466 610 1 . 1 1 111 111 LYS H H 610 8.302 8.302 8.486 -0.184 18466 611 1 . 1 1 112 112 GLU N N 611 125.401 125.401 120.700 4.701 18466 612 1 . 1 1 112 112 GLU HA H 611 4.799 4.799 4.677 0.122 18466 613 1 . 1 1 112 112 GLU CA C 611 52.906 52.906 53.567 -0.661 18466 614 1 . 1 1 112 112 GLU H H 611 8.565 8.565 7.538 1.027 18466 615 1 . 1 1 113 113 PRO HA H 612 4.686 4.686 4.592 0.094 18466 616 1 . 1 1 113 113 PRO C C 612 177.464 177.464 176.242 1.222 18466 617 1 . 1 1 113 113 PRO CA C 612 62.663 62.663 62.542 0.121 18466 618 1 . 1 1 113 113 PRO CB C 612 32.151 32.151 32.370 -0.218 18466 619 1 . 1 1 114 114 VAL N N 613 124.842 124.842 122.083 2.759 18466 620 1 . 1 1 114 114 VAL HA H 613 4.284 4.284 4.020 0.264 18466 621 1 . 1 1 114 114 VAL C C 613 176.520 176.520 176.079 0.441 18466 622 1 . 1 1 114 114 VAL CA C 613 62.290 62.290 62.004 0.286 18466 623 1 . 1 1 114 114 VAL CB C 613 32.203 32.203 32.234 -0.031 18466 624 1 . 1 1 114 114 VAL H H 613 9.226 9.226 8.218 1.008 18466 625 1 . 1 1 115 115 ALA N N 614 132.511 132.511 131.790 0.721 18466 626 1 . 1 1 115 115 ALA HA H 614 4.337 4.337 4.331 0.006 18466 627 1 . 1 1 115 115 ALA C C 614 178.395 178.395 177.204 1.191 18466 628 1 . 1 1 115 115 ALA CA C 614 54.022 54.022 53.591 0.431 18466 629 1 . 1 1 115 115 ALA CB C 614 19.663 19.663 19.989 -0.326 18466 630 1 . 1 1 115 115 ALA H H 614 8.910 8.910 8.968 -0.058 18466 631 1 . 1 1 116 116 GLU N N 615 115.091 115.091 116.692 -1.601 18466 632 1 . 1 1 116 116 GLU HA H 615 4.873 4.873 4.813 0.060 18466 633 1 . 1 1 116 116 GLU CA C 615 53.488 53.488 53.740 -0.252 18466 634 1 . 1 1 116 116 GLU H H 615 6.869 6.869 7.839 -0.970 18466 635 1 . 1 1 117 117 PRO HA H 616 5.644 5.644 5.080 0.564 18466 636 1 . 1 1 117 117 PRO C C 616 177.124 177.124 176.449 0.675 18466 637 1 . 1 1 117 117 PRO CA C 616 62.038 62.038 62.414 -0.376 18466 638 1 . 1 1 117 117 PRO CB C 616 33.662 33.662 32.913 0.749 18466 639 1 . 1 1 118 118 ASP N N 617 114.361 114.361 116.701 -2.341 18466 640 1 . 1 1 118 118 ASP HA H 617 3.885 3.885 4.212 -0.327 18466 641 1 . 1 1 118 118 ASP C C 617 174.982 174.982 175.236 -0.254 18466 642 1 . 1 1 118 118 ASP CA C 617 54.875 54.875 55.290 -0.415 18466 643 1 . 1 1 118 118 ASP CB C 617 37.661 37.661 39.981 -2.320 18466 644 1 . 1 1 118 118 ASP H H 617 9.745 9.745 8.319 1.426 18466 645 1 . 1 1 119 119 ILE N N 618 121.057 121.057 121.126 -0.069 18466 646 1 . 1 1 119 119 ILE HA H 618 4.039 4.039 4.090 -0.051 18466 647 1 . 1 1 119 119 ILE C C 618 175.857 175.857 175.233 0.624 18466 648 1 . 1 1 119 119 ILE CA C 618 62.841 62.841 61.219 1.622 18466 649 1 . 1 1 119 119 ILE CB C 618 36.496 36.496 38.164 -1.668 18466 650 1 . 1 1 119 119 ILE H H 618 8.754 8.754 7.700 1.054 18466 651 1 . 1 1 120 120 MET N N 619 125.664 125.664 127.850 -2.186 18466 652 1 . 1 1 120 120 MET HA H 619 4.604 4.604 4.430 0.174 18466 653 1 . 1 1 120 120 MET C C 619 174.825 174.825 175.193 -0.368 18466 654 1 . 1 1 120 120 MET CA C 619 55.006 55.006 54.952 0.054 18466 655 1 . 1 1 120 120 MET CB C 619 31.457 31.457 31.958 -0.501 18466 656 1 . 1 1 120 120 MET H H 619 8.077 8.077 8.563 -0.486 18466 657 1 . 1 1 121 121 ALA N N 620 122.929 122.929 127.536 -4.607 18466 658 1 . 1 1 121 121 ALA HA H 620 4.895 4.895 4.776 0.119 18466 659 1 . 1 1 121 121 ALA C C 620 177.945 177.945 177.220 0.725 18466 660 1 . 1 1 121 121 ALA CA C 620 50.023 50.023 50.799 -0.776 18466 661 1 . 1 1 121 121 ALA CB C 620 23.030 23.030 21.987 1.042 18466 662 1 . 1 1 121 121 ALA H H 620 8.386 8.386 8.380 0.006 18466 663 1 . 1 1 122 122 THR N N 621 111.051 111.051 114.363 -3.312 18466 664 1 . 1 1 122 122 THR HA H 621 4.046 4.046 4.188 -0.142 18466 665 1 . 1 1 122 122 THR C C 621 176.366 176.366 175.004 1.362 18466 666 1 . 1 1 122 122 THR CA C 621 64.526 64.526 64.589 -0.063 18466 667 1 . 1 1 122 122 THR CB C 621 68.423 68.423 69.038 -0.615 18466 668 1 . 1 1 122 122 THR H H 621 9.176 9.176 8.530 0.646 18466 669 1 . 1 1 123 123 ASN N N 622 117.402 117.402 116.791 0.611 18466 670 1 . 1 1 123 123 ASN HA H 622 5.034 5.034 4.988 0.046 18466 671 1 . 1 1 123 123 ASN C C 622 173.258 173.258 174.388 -1.130 18466 672 1 . 1 1 123 123 ASN CA C 622 51.163 51.163 52.109 -0.946 18466 673 1 . 1 1 123 123 ASN CB C 622 37.038 37.038 39.101 -2.063 18466 674 1 . 1 1 123 123 ASN H H 622 7.970 7.970 8.265 -0.295 18466 675 1 . 1 1 124 124 GLY N N 623 102.697 102.697 106.371 -3.673 18466 676 1 . 1 1 124 124 GLY C C 623 169.960 169.960 171.653 -1.693 18466 677 1 . 1 1 124 124 GLY CA C 623 46.700 46.700 45.103 1.597 18466 678 1 . 1 1 124 124 GLY H H 623 6.916 6.916 7.336 -0.420 18466 679 1 . 1 1 125 125 VAL N N 624 120.074 120.074 118.363 1.711 18466 680 1 . 1 1 125 125 VAL HA H 624 4.882 4.882 5.119 -0.237 18466 681 1 . 1 1 125 125 VAL C C 624 170.860 170.860 173.545 -2.686 18466 682 1 . 1 1 125 125 VAL CA C 624 58.597 58.597 58.770 -0.173 18466 683 1 . 1 1 125 125 VAL CB C 624 34.915 34.915 35.812 -0.897 18466 684 1 . 1 1 125 125 VAL H H 624 8.474 8.474 8.504 -0.030 18466 685 1 . 1 1 126 126 VAL N N 625 127.537 127.537 123.670 3.866 18466 686 1 . 1 1 126 126 VAL HA H 625 4.641 4.641 4.689 -0.048 18466 687 1 . 1 1 126 126 VAL C C 625 172.913 172.913 174.161 -1.249 18466 688 1 . 1 1 126 126 VAL CA C 625 60.474 60.474 60.200 0.274 18466 689 1 . 1 1 126 126 VAL CB C 625 34.138 34.138 34.233 -0.095 18466 690 1 . 1 1 126 126 VAL H H 625 9.093 9.093 8.369 0.724 18466 691 1 . 1 1 127 127 HIS N N 626 124.236 124.236 125.508 -1.272 18466 692 1 . 1 1 127 127 HIS HA H 626 5.499 5.499 4.965 0.534 18466 693 1 . 1 1 127 127 HIS C C 626 175.690 175.690 175.121 0.569 18466 694 1 . 1 1 127 127 HIS CA C 626 53.204 53.204 53.945 -0.741 18466 695 1 . 1 1 127 127 HIS CB C 626 34.315 34.315 31.244 3.071 18466 696 1 . 1 1 127 127 HIS H H 626 8.732 8.732 8.705 0.027 18466 697 1 . 1 1 128 128 VAL N N 627 124.683 124.683 126.704 -2.021 18466 698 1 . 1 1 128 128 VAL HA H 627 4.493 4.493 4.229 0.264 18466 699 1 . 1 1 128 128 VAL C C 627 176.380 176.380 175.791 0.589 18466 700 1 . 1 1 128 128 VAL CA C 627 64.757 64.757 63.882 0.875 18466 701 1 . 1 1 128 128 VAL CB C 627 32.888 32.888 31.665 1.223 18466 702 1 . 1 1 128 128 VAL H H 627 8.827 8.827 8.697 0.130 18466 703 1 . 1 1 129 129 ILE N N 628 121.094 121.094 120.811 0.283 18466 704 1 . 1 1 129 129 ILE HA H 628 5.143 5.143 4.849 0.294 18466 705 1 . 1 1 129 129 ILE C C 628 175.099 175.099 176.010 -0.911 18466 706 1 . 1 1 129 129 ILE CA C 628 60.255 60.255 59.318 0.937 18466 707 1 . 1 1 129 129 ILE CB C 628 42.613 42.613 41.427 1.186 18466 708 1 . 1 1 129 129 ILE H H 628 8.650 8.650 8.816 -0.166 18466 709 1 . 1 1 130 130 THR N N 629 108.406 108.406 114.296 -5.890 18466 710 1 . 1 1 130 130 THR HA H 629 4.666 4.666 4.489 0.178 18466 711 1 . 1 1 130 130 THR C C 629 173.079 173.079 174.034 -0.955 18466 712 1 . 1 1 130 130 THR CA C 629 61.373 61.373 62.003 -0.630 18466 713 1 . 1 1 130 130 THR CB C 629 68.776 68.776 69.421 -0.645 18466 714 1 . 1 1 130 130 THR H H 629 9.359 9.359 8.640 0.719 18466 715 1 . 1 1 131 131 ASN N N 630 117.726 117.726 117.500 0.226 18466 716 1 . 1 1 131 131 ASN HA H 630 4.820 4.820 4.889 -0.069 18466 717 1 . 1 1 131 131 ASN C C 630 172.152 172.152 173.474 -1.322 18466 718 1 . 1 1 131 131 ASN CA C 630 52.538 52.538 52.015 0.523 18466 719 1 . 1 1 131 131 ASN CB C 630 43.071 43.071 41.668 1.403 18466 720 1 . 1 1 131 131 ASN H H 630 7.404 7.404 7.710 -0.306 18466 721 1 . 1 1 132 132 VAL N N 631 118.213 118.213 119.564 -1.351 18466 722 1 . 1 1 132 132 VAL HA H 631 3.988 3.988 4.210 -0.222 18466 723 1 . 1 1 132 132 VAL C C 631 176.686 176.686 175.535 1.151 18466 724 1 . 1 1 132 132 VAL CA C 631 62.358 62.358 61.427 0.931 18466 725 1 . 1 1 132 132 VAL CB C 631 32.611 32.611 32.714 -0.103 18466 726 1 . 1 1 132 132 VAL H H 631 8.137 8.137 8.262 -0.125 18466 727 1 . 1 1 133 133 LEU N N 632 132.179 132.179 128.558 3.621 18466 728 1 . 1 1 133 133 LEU HA H 632 4.209 4.209 4.291 -0.082 18466 729 1 . 1 1 133 133 LEU C C 632 175.569 175.569 176.041 -0.472 18466 730 1 . 1 1 133 133 LEU CA C 632 55.215 55.215 54.575 0.640 18466 731 1 . 1 1 133 133 LEU CB C 632 41.473 41.473 41.328 0.145 18466 732 1 . 1 1 133 133 LEU H H 632 10.917 10.917 8.397 2.520 18466 733 1 . 1 1 134 134 GLN N N 633 115.538 115.538 124.546 -9.008 18466 734 1 . 1 1 134 134 GLN HA H 633 4.781 4.781 4.711 0.070 18466 735 1 . 1 1 134 134 GLN CA C 633 52.392 52.392 52.723 -0.331 18466 736 1 . 1 1 134 134 GLN H H 633 7.765 7.765 8.305 -0.540 18466 stop_ save_