data_25495 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25495 _Entry.PDB_ID 2MZP 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 25495 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.633 0.023 25495 2 1 1 . 1 1 2 2 ASP CA C 2 54.796 54.796 56.273 -1.477 25495 3 1 1 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.314 1.310 25495 4 1 1 . 1 1 3 3 ASP N N 3 122.846 122.846 120.370 2.476 25495 5 1 1 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.398 0.091 25495 6 1 1 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.729 -0.904 25495 7 1 1 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.367 1.054 25495 8 1 1 . 1 1 3 3 ASP H H 3 8.509 8.509 8.432 0.077 25495 9 1 1 . 1 1 4 4 ILE N N 4 119.356 119.356 120.083 -0.727 25495 10 1 1 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.613 0.303 25495 11 1 1 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.877 -1.182 25495 12 1 1 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.937 -0.081 25495 13 1 1 . 1 1 4 4 ILE H H 4 8.227 8.227 7.572 0.655 25495 14 1 1 . 1 1 5 5 TYR N N 5 121.143 121.143 118.559 2.584 25495 15 1 1 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.066 0.345 25495 16 1 1 . 1 1 5 5 TYR CA C 5 60.139 60.139 61.566 -1.427 25495 17 1 1 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.504 0.284 25495 18 1 1 . 1 1 5 5 TYR H H 5 7.639 7.639 7.295 0.344 25495 19 1 1 . 1 1 6 6 LYS N N 6 120.843 120.843 120.264 0.579 25495 20 1 1 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.895 0.094 25495 21 1 1 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.641 -0.062 25495 22 1 1 . 1 1 6 6 LYS CB C 6 32.319 32.319 31.795 0.524 25495 23 1 1 . 1 1 6 6 LYS H H 6 7.929 7.929 7.910 0.019 25495 24 1 1 . 1 1 7 7 ALA N N 7 120.497 120.497 120.873 -0.376 25495 25 1 1 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.150 -0.006 25495 26 1 1 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.995 -0.344 25495 27 1 1 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.028 -0.050 25495 28 1 1 . 1 1 7 7 ALA H H 7 7.934 7.934 7.969 -0.035 25495 29 1 1 . 1 1 8 8 ALA N N 8 119.953 119.953 121.777 -1.824 25495 30 1 1 . 1 1 8 8 ALA HA H 8 4.182 4.182 4.009 0.173 25495 31 1 1 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.763 -0.088 25495 32 1 1 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.491 -0.018 25495 33 1 1 . 1 1 8 8 ALA H H 8 7.479 7.479 7.883 -0.404 25495 34 1 1 . 1 1 9 9 VAL N N 9 119.227 119.227 118.981 0.246 25495 35 1 1 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.621 -0.060 25495 36 1 1 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.473 -0.225 25495 37 1 1 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.556 0.508 25495 38 1 1 . 1 1 9 9 VAL H H 9 8.030 8.030 8.562 -0.532 25495 39 1 1 . 1 1 10 10 GLU N N 10 118.451 118.451 118.551 -0.100 25495 40 1 1 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.959 0.158 25495 41 1 1 . 1 1 10 10 GLU CA C 10 58.360 58.360 59.104 -0.744 25495 42 1 1 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.523 0.025 25495 43 1 1 . 1 1 10 10 GLU H H 10 7.763 7.763 8.292 -0.529 25495 44 1 1 . 1 1 11 11 GLN N N 11 114.938 114.938 118.367 -3.429 25495 45 1 1 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.088 0.218 25495 46 1 1 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.475 -1.863 25495 47 1 1 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.131 0.257 25495 48 1 1 . 1 1 11 11 GLN H H 11 7.405 7.405 7.863 -0.458 25495 49 1 1 . 1 1 12 12 LEU N N 12 120.828 120.828 119.717 1.111 25495 50 1 1 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.130 0.401 25495 51 1 1 . 1 1 12 12 LEU CA C 12 55.320 55.320 56.644 -1.324 25495 52 1 1 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.473 0.653 25495 53 1 1 . 1 1 12 12 LEU H H 12 7.385 7.385 7.473 -0.088 25495 54 1 1 . 1 1 13 13 THR N N 13 113.928 113.928 117.447 -3.519 25495 55 1 1 . 1 1 13 13 THR HA H 13 4.445 4.445 4.436 0.009 25495 56 1 1 . 1 1 13 13 THR CA C 13 60.804 60.804 61.225 -0.421 25495 57 1 1 . 1 1 13 13 THR CB C 13 71.151 71.151 70.085 1.067 25495 58 1 1 . 1 1 13 13 THR H H 13 8.930 8.930 8.562 0.368 25495 59 1 1 . 1 1 14 14 GLU N N 14 121.720 121.720 121.551 0.169 25495 60 1 1 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.979 0.009 25495 61 1 1 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.459 -0.501 25495 62 1 1 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.317 -0.042 25495 63 1 1 . 1 1 14 14 GLU H H 14 9.028 9.028 8.953 0.075 25495 64 1 1 . 1 1 15 15 GLU N N 15 117.744 117.744 119.023 -1.279 25495 65 1 1 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.180 -0.117 25495 66 1 1 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.549 0.786 25495 67 1 1 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.389 -0.229 25495 68 1 1 . 1 1 15 15 GLU H H 15 8.651 8.651 8.561 0.090 25495 69 1 1 . 1 1 16 16 GLN N N 16 119.476 119.476 118.650 0.826 25495 70 1 1 . 1 1 16 16 GLN HA H 16 3.812 3.812 3.931 -0.119 25495 71 1 1 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.824 0.285 25495 72 1 1 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.865 0.526 25495 73 1 1 . 1 1 16 16 GLN H H 16 7.872 7.872 7.776 0.096 25495 74 1 1 . 1 1 17 17 LYS N N 17 118.609 118.609 119.688 -1.079 25495 75 1 1 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.278 -0.267 25495 76 1 1 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.785 2.088 25495 77 1 1 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.321 -0.172 25495 78 1 1 . 1 1 17 17 LYS H H 17 8.572 8.572 8.034 0.538 25495 79 1 1 . 1 1 18 18 ASN N N 18 117.908 117.908 119.051 -1.143 25495 80 1 1 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.492 0.072 25495 81 1 1 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.851 -0.829 25495 82 1 1 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.362 -0.478 25495 83 1 1 . 1 1 18 18 ASN H H 18 8.581 8.581 8.205 0.376 25495 84 1 1 . 1 1 19 19 GLU N N 19 123.446 123.446 120.916 2.530 25495 85 1 1 . 1 1 19 19 GLU HA H 19 4.178 4.178 3.947 0.231 25495 86 1 1 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.387 0.539 25495 87 1 1 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.307 -0.303 25495 88 1 1 . 1 1 19 19 GLU H H 19 7.993 7.993 7.848 0.145 25495 89 1 1 . 1 1 20 20 PHE N N 20 117.821 117.821 118.314 -0.493 25495 90 1 1 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.555 0.367 25495 91 1 1 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.658 -0.814 25495 92 1 1 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.724 -0.822 25495 93 1 1 . 1 1 20 20 PHE H H 20 8.528 8.528 7.636 0.892 25495 94 1 1 . 1 1 21 21 LYS N N 21 122.656 122.656 121.035 1.621 25495 95 1 1 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.331 -0.302 25495 96 1 1 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.986 -1.292 25495 97 1 1 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.564 -0.913 25495 98 1 1 . 1 1 21 21 LYS H H 21 8.929 8.929 8.775 0.154 25495 99 1 1 . 1 1 22 22 ALA N N 22 121.479 121.479 121.004 0.475 25495 100 1 1 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.171 0.035 25495 101 1 1 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.035 0.065 25495 102 1 1 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.100 -0.234 25495 103 1 1 . 1 1 22 22 ALA H H 22 7.799 7.799 8.252 -0.453 25495 104 1 1 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.092 -0.009 25495 105 1 1 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.873 0.288 25495 106 1 1 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.441 0.556 25495 107 1 1 . 1 1 24 24 PHE N N 24 121.493 121.493 119.601 1.892 25495 108 1 1 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.780 -0.307 25495 109 1 1 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.545 0.881 25495 110 1 1 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.120 0.659 25495 111 1 1 . 1 1 24 24 PHE H H 24 9.053 9.053 8.223 0.830 25495 112 1 1 . 1 1 25 25 ASP N N 25 116.518 116.518 119.817 -3.299 25495 113 1 1 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.268 -0.039 25495 114 1 1 . 1 1 25 25 ASP CA C 25 57.025 57.025 56.892 0.133 25495 115 1 1 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.675 -0.812 25495 116 1 1 . 1 1 25 25 ASP H H 25 8.512 8.512 8.002 0.510 25495 117 1 1 . 1 1 26 26 ILE N N 26 119.213 119.213 118.599 0.614 25495 118 1 1 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.652 0.133 25495 119 1 1 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.398 -0.710 25495 120 1 1 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.011 -0.057 25495 121 1 1 . 1 1 26 26 ILE H H 26 7.221 7.221 7.383 -0.162 25495 122 1 1 . 1 1 27 27 PHE N N 27 123.265 123.265 119.431 3.834 25495 123 1 1 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.074 0.664 25495 124 1 1 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.809 -1.800 25495 125 1 1 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.750 1.560 25495 126 1 1 . 1 1 27 27 PHE H H 27 8.287 8.287 8.116 0.171 25495 127 1 1 . 1 1 28 28 VAL N N 28 106.013 106.013 114.411 -8.398 25495 128 1 1 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.942 0.031 25495 129 1 1 . 1 1 28 28 VAL CA C 28 61.298 61.298 62.307 -1.009 25495 130 1 1 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.297 1.282 25495 131 1 1 . 1 1 28 28 VAL H H 28 7.544 7.544 7.503 0.041 25495 132 1 1 . 1 1 29 29 LEU N N 29 125.830 125.830 118.701 7.129 25495 133 1 1 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.327 -0.251 25495 134 1 1 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.425 1.091 25495 135 1 1 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.605 0.972 25495 136 1 1 . 1 1 29 29 LEU H H 29 7.240 7.240 7.747 -0.507 25495 137 1 1 . 1 1 30 30 GLY N N 30 112.625 112.625 104.525 8.100 25495 138 1 1 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.592 0.817 25495 139 1 1 . 1 1 30 30 GLY H H 30 8.879 8.879 7.887 0.992 25495 140 1 1 . 1 1 31 31 ALA N N 31 124.424 124.424 123.018 1.406 25495 141 1 1 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.613 -0.162 25495 142 1 1 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.111 1.062 25495 143 1 1 . 1 1 31 31 ALA CB C 31 19.857 19.857 20.709 -0.852 25495 144 1 1 . 1 1 31 31 ALA H H 31 8.077 8.077 7.659 0.418 25495 145 1 1 . 1 1 32 32 GLU N N 32 125.293 125.293 122.489 2.804 25495 146 1 1 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.097 -0.011 25495 147 1 1 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.610 0.498 25495 148 1 1 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.698 0.128 25495 149 1 1 . 1 1 32 32 GLU H H 32 9.216 9.216 8.769 0.447 25495 150 1 1 . 1 1 33 33 ASP N N 33 115.502 115.502 118.799 -3.297 25495 151 1 1 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.587 0.122 25495 152 1 1 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.456 -1.464 25495 153 1 1 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.398 0.680 25495 154 1 1 . 1 1 33 33 ASP H H 33 8.177 8.177 8.423 -0.246 25495 155 1 1 . 1 1 34 34 GLY N N 34 105.896 105.896 106.140 -0.244 25495 156 1 1 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.254 1.384 25495 157 1 1 . 1 1 34 34 GLY H H 34 7.588 7.588 8.473 -0.885 25495 158 1 1 . 1 1 35 35 CYS N N 35 114.179 114.179 118.151 -3.972 25495 159 1 1 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.676 0.313 25495 160 1 1 . 1 1 35 35 CYS CA C 35 57.668 57.668 58.140 -0.472 25495 161 1 1 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.202 1.535 25495 162 1 1 . 1 1 35 35 CYS H H 35 7.438 7.438 7.476 -0.038 25495 163 1 1 . 1 1 36 36 ILE N N 36 119.578 119.578 124.814 -5.236 25495 164 1 1 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.195 -0.489 25495 165 1 1 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.272 1.490 25495 166 1 1 . 1 1 36 36 ILE CB C 36 39.786 39.786 37.924 1.862 25495 167 1 1 . 1 1 36 36 ILE H H 36 8.847 8.847 8.378 0.469 25495 168 1 1 . 1 1 37 37 SER N N 37 126.282 126.282 122.570 3.712 25495 169 1 1 . 1 1 37 37 SER HA H 37 5.059 5.059 5.015 0.044 25495 170 1 1 . 1 1 37 37 SER CA C 37 57.226 57.226 56.705 0.521 25495 171 1 1 . 1 1 37 37 SER CB C 37 66.983 66.983 65.854 1.129 25495 172 1 1 . 1 1 37 37 SER H H 37 9.462 9.462 9.358 0.104 25495 173 1 1 . 1 1 38 38 THR N N 38 112.015 112.015 115.336 -3.321 25495 174 1 1 . 1 1 38 38 THR HA H 38 3.730 3.730 4.033 -0.303 25495 175 1 1 . 1 1 38 38 THR CA C 38 66.443 66.443 66.311 0.132 25495 176 1 1 . 1 1 38 38 THR CB C 38 67.740 67.740 68.397 -0.657 25495 177 1 1 . 1 1 38 38 THR H H 38 8.796 8.796 8.823 -0.027 25495 178 1 1 . 1 1 39 39 LYS N N 39 123.244 123.244 121.263 1.981 25495 179 1 1 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.134 -0.074 25495 180 1 1 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.419 0.138 25495 181 1 1 . 1 1 39 39 LYS CB C 39 32.240 32.240 31.776 0.464 25495 182 1 1 . 1 1 39 39 LYS H H 39 8.050 8.050 8.491 -0.441 25495 183 1 1 . 1 1 40 40 GLU N N 40 119.359 119.359 119.018 0.341 25495 184 1 1 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.124 0.074 25495 185 1 1 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.658 1.108 25495 186 1 1 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.008 0.906 25495 187 1 1 . 1 1 40 40 GLU H H 40 7.750 7.750 8.475 -0.725 25495 188 1 1 . 1 1 41 41 LEU N N 41 119.256 119.256 120.770 -1.514 25495 189 1 1 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.205 -0.007 25495 190 1 1 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.727 0.157 25495 191 1 1 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.892 0.686 25495 192 1 1 . 1 1 41 41 LEU H H 41 8.349 8.349 7.876 0.473 25495 193 1 1 . 1 1 42 42 GLY N N 42 106.053 106.053 107.134 -1.081 25495 194 1 1 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.339 0.801 25495 195 1 1 . 1 1 42 42 GLY H H 42 8.503 8.503 8.672 -0.169 25495 196 1 1 . 1 1 43 43 LYS N N 43 120.946 120.946 122.486 -1.540 25495 197 1 1 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.016 -0.009 25495 198 1 1 . 1 1 43 43 LYS CA C 43 59.961 59.961 59.340 0.621 25495 199 1 1 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.425 -0.051 25495 200 1 1 . 1 1 43 43 LYS H H 43 7.319 7.319 7.686 -0.367 25495 201 1 1 . 1 1 44 44 VAL N N 44 119.639 119.639 120.312 -0.673 25495 202 1 1 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.592 0.003 25495 203 1 1 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.896 -0.590 25495 204 1 1 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.890 -0.098 25495 205 1 1 . 1 1 44 44 VAL H H 44 7.570 7.570 7.564 0.006 25495 206 1 1 . 1 1 45 45 MET N N 45 116.846 116.846 118.278 -1.432 25495 207 1 1 . 1 1 45 45 MET HA H 45 4.186 4.186 4.075 0.111 25495 208 1 1 . 1 1 45 45 MET CA C 45 58.345 58.345 59.494 -1.149 25495 209 1 1 . 1 1 45 45 MET CB C 45 31.125 31.125 32.339 -1.214 25495 210 1 1 . 1 1 45 45 MET H H 45 8.438 8.438 8.408 0.030 25495 211 1 1 . 1 1 46 46 ARG N N 46 118.762 118.762 120.242 -1.480 25495 212 1 1 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.202 0.450 25495 213 1 1 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.187 0.164 25495 214 1 1 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.917 0.138 25495 215 1 1 . 1 1 46 46 ARG H H 46 8.114 8.114 8.058 0.056 25495 216 1 1 . 1 1 47 47 MET N N 47 122.339 122.339 118.024 4.315 25495 217 1 1 . 1 1 47 47 MET HA H 47 4.225 4.225 4.174 0.051 25495 218 1 1 . 1 1 47 47 MET CA C 47 59.117 59.117 58.408 0.709 25495 219 1 1 . 1 1 47 47 MET CB C 47 32.404 32.404 32.574 -0.170 25495 220 1 1 . 1 1 47 47 MET H H 47 7.889 7.889 7.586 0.303 25495 221 1 1 . 1 1 48 48 LEU N N 48 117.654 117.654 115.980 1.674 25495 222 1 1 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.182 0.226 25495 223 1 1 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.563 -0.906 25495 224 1 1 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.370 -0.591 25495 225 1 1 . 1 1 48 48 LEU H H 48 7.516 7.516 7.628 -0.112 25495 226 1 1 . 1 1 49 49 GLY N N 49 107.494 107.494 105.222 2.272 25495 227 1 1 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.472 1.427 25495 228 1 1 . 1 1 49 49 GLY H H 49 7.875 7.875 7.566 0.309 25495 229 1 1 . 1 1 50 50 GLN N N 50 118.165 118.165 121.211 -3.046 25495 230 1 1 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.506 -0.002 25495 231 1 1 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.674 -0.612 25495 232 1 1 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.400 0.696 25495 233 1 1 . 1 1 50 50 GLN H H 50 8.025 8.025 8.226 -0.201 25495 234 1 1 . 1 1 51 51 ASN N N 51 116.752 116.752 121.748 -4.996 25495 235 1 1 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.059 0.097 25495 236 1 1 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.495 0.689 25495 237 1 1 . 1 1 51 51 ASN CB C 51 39.252 39.252 37.889 1.363 25495 238 1 1 . 1 1 51 51 ASN H H 51 8.706 8.706 8.639 0.067 25495 239 1 1 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.606 0.165 25495 240 1 1 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.688 -0.466 25495 241 1 1 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.061 -0.045 25495 242 1 1 . 1 1 53 53 THR N N 53 114.441 114.441 109.733 4.708 25495 243 1 1 . 1 1 53 53 THR HA H 53 4.623 4.623 4.715 -0.092 25495 244 1 1 . 1 1 53 53 THR CA C 53 60.314 60.314 58.787 1.527 25495 245 1 1 . 1 1 53 53 THR CB C 53 68.422 68.422 69.225 -0.804 25495 246 1 1 . 1 1 53 53 THR H H 53 8.899 8.899 7.930 0.969 25495 247 1 1 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.290 -0.109 25495 248 1 1 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.273 0.914 25495 249 1 1 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.786 -0.018 25495 250 1 1 . 1 1 55 55 GLU N N 55 117.303 117.303 117.958 -0.655 25495 251 1 1 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.062 -0.037 25495 252 1 1 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.715 0.795 25495 253 1 1 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.976 -0.210 25495 254 1 1 . 1 1 55 55 GLU H H 55 8.751 8.751 9.002 -0.251 25495 255 1 1 . 1 1 56 56 GLU N N 56 121.627 121.627 119.325 2.302 25495 256 1 1 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.103 -0.106 25495 257 1 1 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.609 0.591 25495 258 1 1 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.355 0.694 25495 259 1 1 . 1 1 56 56 GLU H H 56 7.813 7.813 7.617 0.196 25495 260 1 1 . 1 1 57 57 LEU N N 57 118.921 118.921 120.752 -1.831 25495 261 1 1 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.004 0.028 25495 262 1 1 . 1 1 57 57 LEU CA C 57 57.774 57.774 58.690 -0.916 25495 263 1 1 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.572 1.075 25495 264 1 1 . 1 1 57 57 LEU H H 57 8.143 8.143 7.556 0.587 25495 265 1 1 . 1 1 58 58 GLN N N 58 117.966 117.966 118.663 -0.697 25495 266 1 1 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.948 -0.242 25495 267 1 1 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.214 -0.977 25495 268 1 1 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.463 0.020 25495 269 1 1 . 1 1 58 58 GLN H H 58 8.001 8.001 8.013 -0.012 25495 270 1 1 . 1 1 59 59 GLU N N 59 119.177 119.177 120.662 -1.485 25495 271 1 1 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.119 -0.078 25495 272 1 1 . 1 1 59 59 GLU CA C 59 59.638 59.638 58.830 0.808 25495 273 1 1 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.192 0.238 25495 274 1 1 . 1 1 59 59 GLU H H 59 7.935 7.935 7.835 0.100 25495 275 1 1 . 1 1 60 60 MET N N 60 117.654 117.654 119.527 -1.873 25495 276 1 1 . 1 1 60 60 MET HA H 60 3.936 3.936 4.136 -0.200 25495 277 1 1 . 1 1 60 60 MET CA C 60 59.488 59.488 59.028 0.460 25495 278 1 1 . 1 1 60 60 MET CB C 60 33.570 33.570 32.443 1.127 25495 279 1 1 . 1 1 60 60 MET H H 60 7.640 7.640 8.178 -0.538 25495 280 1 1 . 1 1 61 61 ILE N N 61 118.132 118.132 119.821 -1.689 25495 281 1 1 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.539 -0.184 25495 282 1 1 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.540 -1.149 25495 283 1 1 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.546 -0.107 25495 284 1 1 . 1 1 61 61 ILE H H 61 7.334 7.334 7.908 -0.574 25495 285 1 1 . 1 1 62 62 ASP N N 62 119.480 119.480 119.697 -0.217 25495 286 1 1 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.333 -0.059 25495 287 1 1 . 1 1 62 62 ASP CA C 62 57.424 57.424 56.976 0.448 25495 288 1 1 . 1 1 62 62 ASP CB C 62 40.307 40.307 39.920 0.387 25495 289 1 1 . 1 1 62 62 ASP H H 62 8.754 8.754 7.797 0.957 25495 290 1 1 . 1 1 63 63 GLU N N 63 116.032 116.032 117.738 -1.706 25495 291 1 1 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.145 -0.114 25495 292 1 1 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.453 0.365 25495 293 1 1 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.767 0.692 25495 294 1 1 . 1 1 63 63 GLU H H 63 7.588 7.588 7.735 -0.147 25495 295 1 1 . 1 1 64 64 VAL N N 64 107.386 107.386 116.017 -8.631 25495 296 1 1 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.969 0.557 25495 297 1 1 . 1 1 64 64 VAL CA C 64 60.594 60.594 64.365 -3.771 25495 298 1 1 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.341 0.020 25495 299 1 1 . 1 1 64 64 VAL H H 64 7.222 7.222 7.383 -0.161 25495 300 1 1 . 1 1 65 65 ASP N N 65 121.993 121.993 120.178 1.815 25495 301 1 1 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.550 0.110 25495 302 1 1 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.835 -0.365 25495 303 1 1 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.638 -1.241 25495 304 1 1 . 1 1 65 65 ASP H H 65 7.576 7.576 8.224 -0.648 25495 305 1 1 . 1 1 66 66 GLU N N 66 128.234 128.234 126.523 1.711 25495 306 1 1 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.130 0.050 25495 307 1 1 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.331 0.140 25495 308 1 1 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.983 0.887 25495 309 1 1 . 1 1 66 66 GLU H H 66 8.586 8.586 8.709 -0.123 25495 310 1 1 . 1 1 67 67 ASP N N 67 114.535 114.535 116.856 -2.321 25495 311 1 1 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.554 0.168 25495 312 1 1 . 1 1 67 67 ASP CA C 67 52.428 52.428 54.293 -1.865 25495 313 1 1 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.797 -0.460 25495 314 1 1 . 1 1 67 67 ASP H H 67 7.969 7.969 7.908 0.061 25495 315 1 1 . 1 1 68 68 GLY N N 68 108.961 108.961 108.053 0.908 25495 316 1 1 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.879 1.300 25495 317 1 1 . 1 1 68 68 GLY H H 68 7.766 7.766 8.331 -0.565 25495 318 1 1 . 1 1 69 69 SER N N 69 116.683 116.683 116.085 0.598 25495 319 1 1 . 1 1 69 69 SER HA H 69 4.234 4.234 4.175 0.059 25495 320 1 1 . 1 1 69 69 SER CA C 69 60.271 60.271 59.549 0.722 25495 321 1 1 . 1 1 69 69 SER CB C 69 64.864 64.864 63.944 0.920 25495 322 1 1 . 1 1 69 69 SER H H 69 8.469 8.469 8.507 -0.038 25495 323 1 1 . 1 1 70 70 GLY N N 70 116.564 116.564 110.088 6.476 25495 324 1 1 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.196 0.498 25495 325 1 1 . 1 1 70 70 GLY H H 70 10.834 10.834 8.351 2.483 25495 326 1 1 . 1 1 71 71 THR N N 71 107.543 107.543 111.214 -3.671 25495 327 1 1 . 1 1 71 71 THR HA H 71 4.891 4.891 4.876 0.015 25495 328 1 1 . 1 1 71 71 THR CA C 71 58.480 58.480 59.857 -1.377 25495 329 1 1 . 1 1 71 71 THR CB C 71 73.920 73.920 72.624 1.296 25495 330 1 1 . 1 1 71 71 THR H H 71 7.651 7.651 7.422 0.229 25495 331 1 1 . 1 1 72 72 VAL N N 72 126.890 126.890 123.424 3.466 25495 332 1 1 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.728 0.340 25495 333 1 1 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.965 0.726 25495 334 1 1 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.563 -0.593 25495 335 1 1 . 1 1 72 72 VAL H H 72 9.698 9.698 8.925 0.773 25495 336 1 1 . 1 1 73 73 ASP N N 73 129.120 129.120 126.030 3.090 25495 337 1 1 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.086 0.068 25495 338 1 1 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.860 -0.412 25495 339 1 1 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.872 -2.320 25495 340 1 1 . 1 1 73 73 ASP H H 73 8.807 8.807 7.913 0.894 25495 341 1 1 . 1 1 74 74 PHE N N 74 118.110 118.110 121.300 -3.190 25495 342 1 1 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.720 -0.387 25495 343 1 1 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.094 -0.441 25495 344 1 1 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.913 -0.373 25495 345 1 1 . 1 1 74 74 PHE H H 74 8.511 8.511 8.783 -0.272 25495 346 1 1 . 1 1 75 75 ASP N N 75 117.145 117.145 118.919 -1.774 25495 347 1 1 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.209 -0.228 25495 348 1 1 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.072 -0.068 25495 349 1 1 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.556 0.786 25495 350 1 1 . 1 1 75 75 ASP H H 75 7.601 7.601 8.757 -1.156 25495 351 1 1 . 1 1 76 76 GLU N N 76 120.605 120.605 119.824 0.781 25495 352 1 1 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.898 0.152 25495 353 1 1 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.209 -0.878 25495 354 1 1 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.371 0.724 25495 355 1 1 . 1 1 76 76 GLU H H 76 8.235 8.235 8.430 -0.195 25495 356 1 1 . 1 1 77 77 PHE N N 77 123.122 123.122 121.751 1.371 25495 357 1 1 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.083 -0.108 25495 358 1 1 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.882 -0.374 25495 359 1 1 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.033 0.530 25495 360 1 1 . 1 1 77 77 PHE H H 77 8.983 8.983 8.584 0.399 25495 361 1 1 . 1 1 78 78 LEU N N 78 118.537 118.537 119.725 -1.188 25495 362 1 1 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.208 0.081 25495 363 1 1 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.714 0.395 25495 364 1 1 . 1 1 78 78 LEU CB C 78 41.480 41.480 40.970 0.510 25495 365 1 1 . 1 1 78 78 LEU H H 78 7.842 7.842 7.999 -0.157 25495 366 1 1 . 1 1 79 79 VAL N N 79 117.650 117.650 119.067 -1.417 25495 367 1 1 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.138 0.133 25495 368 1 1 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.740 -0.306 25495 369 1 1 . 1 1 79 79 VAL CB C 79 31.014 31.014 30.942 0.072 25495 370 1 1 . 1 1 79 79 VAL H H 79 6.834 6.834 7.517 -0.683 25495 371 1 1 . 1 1 80 80 MET N N 80 120.117 120.117 119.293 0.824 25495 372 1 1 . 1 1 80 80 MET HA H 80 3.550 3.550 3.804 -0.254 25495 373 1 1 . 1 1 80 80 MET CA C 80 59.506 59.506 59.118 0.388 25495 374 1 1 . 1 1 80 80 MET CB C 80 34.002 34.002 32.405 1.597 25495 375 1 1 . 1 1 80 80 MET H H 80 7.990 7.990 8.009 -0.019 25495 376 1 1 . 1 1 81 81 MET N N 81 116.622 116.622 119.353 -2.731 25495 377 1 1 . 1 1 81 81 MET HA H 81 4.074 4.074 3.873 0.201 25495 378 1 1 . 1 1 81 81 MET CA C 81 56.657 56.657 57.720 -1.063 25495 379 1 1 . 1 1 81 81 MET CB C 81 32.334 32.334 31.538 0.796 25495 380 1 1 . 1 1 81 81 MET H H 81 8.148 8.148 7.714 0.434 25495 381 1 1 . 1 1 82 82 VAL N N 82 117.651 117.651 118.846 -1.195 25495 382 1 1 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.438 0.496 25495 383 1 1 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.833 -0.656 25495 384 1 1 . 1 1 82 82 VAL CB C 82 31.243 31.243 30.977 0.267 25495 385 1 1 . 1 1 82 82 VAL H H 82 8.082 8.082 7.814 0.268 25495 386 1 1 . 1 1 83 83 ARG N N 83 120.226 120.226 121.091 -0.865 25495 387 1 1 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.102 -0.281 25495 388 1 1 . 1 1 83 83 ARG CA C 83 59.590 59.590 60.222 -0.632 25495 389 1 1 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.137 -0.155 25495 390 1 1 . 1 1 83 83 ARG H H 83 8.086 8.086 8.409 -0.323 25495 391 1 1 . 1 1 84 84 CYS N N 84 115.892 115.892 116.655 -0.763 25495 392 1 1 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.080 0.354 25495 393 1 1 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.289 -1.752 25495 394 1 1 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.601 -0.161 25495 395 1 1 . 1 1 84 84 CYS H H 84 7.754 7.754 8.274 -0.520 25495 396 1 1 . 1 1 85 85 MET HA H 85 4.416 4.416 4.180 0.236 25495 397 1 1 . 1 1 85 85 MET CA C 85 57.720 57.720 57.657 0.063 25495 398 1 1 . 1 1 85 85 MET CB C 85 34.275 34.275 32.387 1.888 25495 399 1 1 . 1 1 86 86 LYS N N 86 119.961 119.961 120.030 -0.069 25495 400 1 1 . 1 1 86 86 LYS HA H 86 4.348 4.348 3.886 0.462 25495 401 1 1 . 1 1 86 86 LYS CA C 86 56.728 56.728 59.364 -2.636 25495 402 1 1 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.370 0.999 25495 403 1 1 . 1 1 86 86 LYS H H 86 7.886 7.886 8.226 -0.340 25495 404 1 1 . 1 1 87 87 ASP N N 87 121.700 121.700 116.887 4.813 25495 405 1 1 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.332 0.389 25495 406 1 1 . 1 1 87 87 ASP CA C 87 54.582 54.582 56.361 -1.779 25495 407 1 1 . 1 1 87 87 ASP CB C 87 41.302 41.302 40.868 0.434 25495 408 1 1 . 1 1 87 87 ASP H H 87 8.219 8.219 8.035 0.184 25495 409 1 1 . 1 1 88 88 ASP N N 88 121.739 121.739 119.195 2.544 25495 410 1 1 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.804 -0.072 25495 411 1 1 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.256 0.998 25495 412 1 1 . 1 1 88 88 ASP CB C 88 41.348 41.348 41.861 -0.513 25495 413 1 1 . 1 1 88 88 ASP H H 88 8.256 8.256 7.579 0.677 25495 414 1 2 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.612 0.044 25495 415 1 2 . 1 1 2 2 ASP CA C 2 54.796 54.796 57.045 -2.249 25495 416 1 2 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.844 0.780 25495 417 1 2 . 1 1 3 3 ASP N N 3 122.846 122.846 120.308 2.538 25495 418 1 2 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.455 0.034 25495 419 1 2 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.425 -0.600 25495 420 1 2 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.334 1.087 25495 421 1 2 . 1 1 3 3 ASP H H 3 8.509 8.509 8.673 -0.164 25495 422 1 2 . 1 1 4 4 ILE N N 4 119.356 119.356 120.595 -1.239 25495 423 1 2 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.578 0.338 25495 424 1 2 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.386 -0.691 25495 425 1 2 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.902 -0.046 25495 426 1 2 . 1 1 4 4 ILE H H 4 8.227 8.227 7.535 0.692 25495 427 1 2 . 1 1 5 5 TYR N N 5 121.143 121.143 118.321 2.822 25495 428 1 2 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.064 0.347 25495 429 1 2 . 1 1 5 5 TYR CA C 5 60.139 60.139 61.495 -1.356 25495 430 1 2 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.758 0.029 25495 431 1 2 . 1 1 5 5 TYR H H 5 7.639 7.639 7.572 0.067 25495 432 1 2 . 1 1 6 6 LYS N N 6 120.843 120.843 119.370 1.473 25495 433 1 2 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.954 0.035 25495 434 1 2 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.124 0.454 25495 435 1 2 . 1 1 6 6 LYS CB C 6 32.319 32.319 31.966 0.353 25495 436 1 2 . 1 1 6 6 LYS H H 6 7.929 7.929 7.596 0.333 25495 437 1 2 . 1 1 7 7 ALA N N 7 120.497 120.497 121.198 -0.701 25495 438 1 2 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.143 0.001 25495 439 1 2 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.932 -0.281 25495 440 1 2 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.086 -0.108 25495 441 1 2 . 1 1 7 7 ALA H H 7 7.934 7.934 8.349 -0.415 25495 442 1 2 . 1 1 8 8 ALA N N 8 119.953 119.953 121.948 -1.995 25495 443 1 2 . 1 1 8 8 ALA HA H 8 4.182 4.182 4.037 0.145 25495 444 1 2 . 1 1 8 8 ALA CA C 8 54.675 54.675 55.092 -0.417 25495 445 1 2 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.136 0.337 25495 446 1 2 . 1 1 8 8 ALA H H 8 7.479 7.479 7.954 -0.475 25495 447 1 2 . 1 1 9 9 VAL N N 9 119.227 119.227 118.590 0.637 25495 448 1 2 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.621 -0.060 25495 449 1 2 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.434 -0.186 25495 450 1 2 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.343 0.721 25495 451 1 2 . 1 1 9 9 VAL H H 9 8.030 8.030 8.137 -0.107 25495 452 1 2 . 1 1 10 10 GLU N N 10 118.451 118.451 119.588 -1.137 25495 453 1 2 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.977 0.140 25495 454 1 2 . 1 1 10 10 GLU CA C 10 58.360 58.360 59.013 -0.653 25495 455 1 2 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.789 -0.240 25495 456 1 2 . 1 1 10 10 GLU H H 10 7.763 7.763 7.879 -0.116 25495 457 1 2 . 1 1 11 11 GLN N N 11 114.938 114.938 118.063 -3.125 25495 458 1 2 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.113 0.193 25495 459 1 2 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.342 -1.730 25495 460 1 2 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.287 0.101 25495 461 1 2 . 1 1 11 11 GLN H H 11 7.405 7.405 8.029 -0.624 25495 462 1 2 . 1 1 12 12 LEU N N 12 120.828 120.828 120.013 0.815 25495 463 1 2 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.263 0.268 25495 464 1 2 . 1 1 12 12 LEU CA C 12 55.320 55.320 56.426 -1.106 25495 465 1 2 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.289 0.837 25495 466 1 2 . 1 1 12 12 LEU H H 12 7.385 7.385 7.913 -0.528 25495 467 1 2 . 1 1 13 13 THR N N 13 113.928 113.928 117.093 -3.165 25495 468 1 2 . 1 1 13 13 THR HA H 13 4.445 4.445 4.422 0.023 25495 469 1 2 . 1 1 13 13 THR CA C 13 60.804 60.804 60.964 -0.160 25495 470 1 2 . 1 1 13 13 THR CB C 13 71.151 71.151 70.464 0.687 25495 471 1 2 . 1 1 13 13 THR H H 13 8.930 8.930 9.414 -0.484 25495 472 1 2 . 1 1 14 14 GLU N N 14 121.720 121.720 121.991 -0.271 25495 473 1 2 . 1 1 14 14 GLU HA H 14 3.988 3.988 4.055 -0.067 25495 474 1 2 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.015 -0.057 25495 475 1 2 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.213 0.062 25495 476 1 2 . 1 1 14 14 GLU H H 14 9.028 9.028 9.026 0.002 25495 477 1 2 . 1 1 15 15 GLU N N 15 117.744 117.744 118.563 -0.819 25495 478 1 2 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.094 -0.031 25495 479 1 2 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.501 0.834 25495 480 1 2 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.346 -0.187 25495 481 1 2 . 1 1 15 15 GLU H H 15 8.651 8.651 8.697 -0.046 25495 482 1 2 . 1 1 16 16 GLN N N 16 119.476 119.476 118.663 0.813 25495 483 1 2 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.103 -0.291 25495 484 1 2 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.862 0.247 25495 485 1 2 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.827 0.564 25495 486 1 2 . 1 1 16 16 GLN H H 16 7.872 7.872 7.697 0.175 25495 487 1 2 . 1 1 17 17 LYS N N 17 118.609 118.609 118.948 -0.339 25495 488 1 2 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.205 -0.194 25495 489 1 2 . 1 1 17 17 LYS CA C 17 61.873 61.873 60.442 1.431 25495 490 1 2 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.201 -0.052 25495 491 1 2 . 1 1 17 17 LYS H H 17 8.572 8.572 8.241 0.331 25495 492 1 2 . 1 1 18 18 ASN N N 18 117.908 117.908 118.753 -0.845 25495 493 1 2 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.461 0.103 25495 494 1 2 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.110 -0.088 25495 495 1 2 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.192 -0.308 25495 496 1 2 . 1 1 18 18 ASN H H 18 8.581 8.581 8.316 0.265 25495 497 1 2 . 1 1 19 19 GLU N N 19 123.446 123.446 119.991 3.455 25495 498 1 2 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.029 0.149 25495 499 1 2 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.257 0.669 25495 500 1 2 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.627 -0.623 25495 501 1 2 . 1 1 19 19 GLU H H 19 7.993 7.993 8.014 -0.021 25495 502 1 2 . 1 1 20 20 PHE N N 20 117.821 117.821 121.294 -3.473 25495 503 1 2 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.439 0.483 25495 504 1 2 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.558 -0.714 25495 505 1 2 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.898 -0.996 25495 506 1 2 . 1 1 20 20 PHE H H 20 8.528 8.528 8.149 0.379 25495 507 1 2 . 1 1 21 21 LYS N N 21 122.656 122.656 119.087 3.569 25495 508 1 2 . 1 1 21 21 LYS HA H 21 4.029 4.029 2.993 1.036 25495 509 1 2 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.204 -0.509 25495 510 1 2 . 1 1 21 21 LYS CB C 21 31.651 31.651 31.780 -0.129 25495 511 1 2 . 1 1 21 21 LYS H H 21 8.929 8.929 7.849 1.080 25495 512 1 2 . 1 1 22 22 ALA N N 22 121.479 121.479 121.275 0.204 25495 513 1 2 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.112 0.094 25495 514 1 2 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.910 0.190 25495 515 1 2 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.085 -0.219 25495 516 1 2 . 1 1 22 22 ALA H H 22 7.799 7.799 7.549 0.250 25495 517 1 2 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.197 -0.114 25495 518 1 2 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.987 0.174 25495 519 1 2 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.515 0.482 25495 520 1 2 . 1 1 24 24 PHE N N 24 121.493 121.493 119.125 2.368 25495 521 1 2 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.523 -0.050 25495 522 1 2 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.654 0.772 25495 523 1 2 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.114 0.665 25495 524 1 2 . 1 1 24 24 PHE H H 24 9.053 9.053 8.320 0.733 25495 525 1 2 . 1 1 25 25 ASP N N 25 116.518 116.518 119.104 -2.586 25495 526 1 2 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.266 -0.037 25495 527 1 2 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.895 -0.870 25495 528 1 2 . 1 1 25 25 ASP CB C 25 39.863 39.863 41.019 -1.156 25495 529 1 2 . 1 1 25 25 ASP H H 25 8.512 8.512 7.968 0.544 25495 530 1 2 . 1 1 26 26 ILE N N 26 119.213 119.213 119.002 0.211 25495 531 1 2 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.657 0.128 25495 532 1 2 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.558 -0.870 25495 533 1 2 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.072 -0.118 25495 534 1 2 . 1 1 26 26 ILE H H 26 7.221 7.221 7.424 -0.203 25495 535 1 2 . 1 1 27 27 PHE N N 27 123.265 123.265 118.796 4.469 25495 536 1 2 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.013 0.725 25495 537 1 2 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.620 -1.611 25495 538 1 2 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.885 1.425 25495 539 1 2 . 1 1 27 27 PHE H H 27 8.287 8.287 8.205 0.082 25495 540 1 2 . 1 1 28 28 VAL N N 28 106.013 106.013 114.591 -8.578 25495 541 1 2 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.374 -0.401 25495 542 1 2 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.701 -0.403 25495 543 1 2 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.520 2.059 25495 544 1 2 . 1 1 28 28 VAL H H 28 7.544 7.544 7.567 -0.023 25495 545 1 2 . 1 1 29 29 LEU N N 29 125.830 125.830 120.093 5.737 25495 546 1 2 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.202 -0.126 25495 547 1 2 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.120 0.396 25495 548 1 2 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.822 0.755 25495 549 1 2 . 1 1 29 29 LEU H H 29 7.240 7.240 7.791 -0.551 25495 550 1 2 . 1 1 30 30 GLY N N 30 112.625 112.625 103.948 8.677 25495 551 1 2 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.606 0.803 25495 552 1 2 . 1 1 30 30 GLY H H 30 8.879 8.879 8.278 0.601 25495 553 1 2 . 1 1 31 31 ALA N N 31 124.424 124.424 123.602 0.822 25495 554 1 2 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.661 -0.210 25495 555 1 2 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.445 0.728 25495 556 1 2 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.687 0.170 25495 557 1 2 . 1 1 31 31 ALA H H 31 8.077 8.077 7.986 0.091 25495 558 1 2 . 1 1 32 32 GLU N N 32 125.293 125.293 123.402 1.891 25495 559 1 2 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.103 -0.017 25495 560 1 2 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.647 0.461 25495 561 1 2 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.604 0.222 25495 562 1 2 . 1 1 32 32 GLU H H 32 9.216 9.216 8.823 0.393 25495 563 1 2 . 1 1 33 33 ASP N N 33 115.502 115.502 116.862 -1.360 25495 564 1 2 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.665 0.044 25495 565 1 2 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.291 -1.300 25495 566 1 2 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.789 0.289 25495 567 1 2 . 1 1 33 33 ASP H H 33 8.177 8.177 8.167 0.010 25495 568 1 2 . 1 1 34 34 GLY N N 34 105.896 105.896 108.683 -2.787 25495 569 1 2 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.572 1.066 25495 570 1 2 . 1 1 34 34 GLY H H 34 7.588 7.588 7.872 -0.284 25495 571 1 2 . 1 1 35 35 CYS N N 35 114.179 114.179 117.357 -3.178 25495 572 1 2 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.956 0.033 25495 573 1 2 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.348 0.320 25495 574 1 2 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.303 1.434 25495 575 1 2 . 1 1 35 35 CYS H H 35 7.438 7.438 7.502 -0.064 25495 576 1 2 . 1 1 36 36 ILE N N 36 119.578 119.578 125.609 -6.031 25495 577 1 2 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.620 -0.914 25495 578 1 2 . 1 1 36 36 ILE CA C 36 62.762 62.762 60.938 1.824 25495 579 1 2 . 1 1 36 36 ILE CB C 36 39.786 39.786 40.071 -0.285 25495 580 1 2 . 1 1 36 36 ILE H H 36 8.847 8.847 8.347 0.500 25495 581 1 2 . 1 1 37 37 SER N N 37 126.282 126.282 121.347 4.935 25495 582 1 2 . 1 1 37 37 SER HA H 37 5.059 5.059 4.983 0.076 25495 583 1 2 . 1 1 37 37 SER CA C 37 57.226 57.226 56.150 1.076 25495 584 1 2 . 1 1 37 37 SER CB C 37 66.983 66.983 65.371 1.613 25495 585 1 2 . 1 1 37 37 SER H H 37 9.462 9.462 8.340 1.122 25495 586 1 2 . 1 1 38 38 THR N N 38 112.015 112.015 114.386 -2.371 25495 587 1 2 . 1 1 38 38 THR HA H 38 3.730 3.730 4.140 -0.410 25495 588 1 2 . 1 1 38 38 THR CA C 38 66.443 66.443 66.059 0.384 25495 589 1 2 . 1 1 38 38 THR CB C 38 67.740 67.740 68.531 -0.791 25495 590 1 2 . 1 1 38 38 THR H H 38 8.796 8.796 8.838 -0.042 25495 591 1 2 . 1 1 39 39 LYS N N 39 123.244 123.244 122.290 0.954 25495 592 1 2 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.051 0.009 25495 593 1 2 . 1 1 39 39 LYS CA C 39 59.557 59.557 60.358 -0.801 25495 594 1 2 . 1 1 39 39 LYS CB C 39 32.240 32.240 31.851 0.389 25495 595 1 2 . 1 1 39 39 LYS H H 39 8.050 8.050 8.171 -0.121 25495 596 1 2 . 1 1 40 40 GLU N N 40 119.359 119.359 118.839 0.520 25495 597 1 2 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.071 0.127 25495 598 1 2 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.146 1.620 25495 599 1 2 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.345 0.569 25495 600 1 2 . 1 1 40 40 GLU H H 40 7.750 7.750 8.228 -0.478 25495 601 1 2 . 1 1 41 41 LEU N N 41 119.256 119.256 120.830 -1.574 25495 602 1 2 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.109 0.089 25495 603 1 2 . 1 1 41 41 LEU CA C 41 57.884 57.884 58.098 -0.214 25495 604 1 2 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.996 0.582 25495 605 1 2 . 1 1 41 41 LEU H H 41 8.349 8.349 8.257 0.092 25495 606 1 2 . 1 1 42 42 GLY N N 42 106.053 106.053 106.552 -0.499 25495 607 1 2 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.287 0.853 25495 608 1 2 . 1 1 42 42 GLY H H 42 8.503 8.503 8.707 -0.204 25495 609 1 2 . 1 1 43 43 LYS N N 43 120.946 120.946 122.409 -1.463 25495 610 1 2 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.084 -0.077 25495 611 1 2 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.766 1.195 25495 612 1 2 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.129 0.245 25495 613 1 2 . 1 1 43 43 LYS H H 43 7.319 7.319 7.508 -0.189 25495 614 1 2 . 1 1 44 44 VAL N N 44 119.639 119.639 120.523 -0.884 25495 615 1 2 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.629 -0.034 25495 616 1 2 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.133 0.173 25495 617 1 2 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.338 0.454 25495 618 1 2 . 1 1 44 44 VAL H H 44 7.570 7.570 7.727 -0.157 25495 619 1 2 . 1 1 45 45 MET N N 45 116.846 116.846 118.121 -1.275 25495 620 1 2 . 1 1 45 45 MET HA H 45 4.186 4.186 4.091 0.095 25495 621 1 2 . 1 1 45 45 MET CA C 45 58.345 58.345 58.008 0.337 25495 622 1 2 . 1 1 45 45 MET CB C 45 31.125 31.125 31.334 -0.209 25495 623 1 2 . 1 1 45 45 MET H H 45 8.438 8.438 8.114 0.324 25495 624 1 2 . 1 1 46 46 ARG N N 46 118.762 118.762 119.174 -0.412 25495 625 1 2 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.243 0.409 25495 626 1 2 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.059 0.292 25495 627 1 2 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.108 -0.053 25495 628 1 2 . 1 1 46 46 ARG H H 46 8.114 8.114 7.679 0.435 25495 629 1 2 . 1 1 47 47 MET N N 47 122.339 122.339 117.100 5.239 25495 630 1 2 . 1 1 47 47 MET HA H 47 4.225 4.225 4.163 0.062 25495 631 1 2 . 1 1 47 47 MET CA C 47 59.117 59.117 58.056 1.061 25495 632 1 2 . 1 1 47 47 MET CB C 47 32.404 32.404 32.422 -0.018 25495 633 1 2 . 1 1 47 47 MET H H 47 7.889 7.889 7.515 0.374 25495 634 1 2 . 1 1 48 48 LEU N N 48 117.654 117.654 115.539 2.115 25495 635 1 2 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.195 0.213 25495 636 1 2 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.510 -0.853 25495 637 1 2 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.352 -0.573 25495 638 1 2 . 1 1 48 48 LEU H H 48 7.516 7.516 7.734 -0.218 25495 639 1 2 . 1 1 49 49 GLY N N 49 107.494 107.494 105.435 2.059 25495 640 1 2 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.508 1.391 25495 641 1 2 . 1 1 49 49 GLY H H 49 7.875 7.875 7.602 0.273 25495 642 1 2 . 1 1 50 50 GLN N N 50 118.165 118.165 120.574 -2.409 25495 643 1 2 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.503 0.001 25495 644 1 2 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.586 -0.524 25495 645 1 2 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.167 -0.071 25495 646 1 2 . 1 1 50 50 GLN H H 50 8.025 8.025 8.186 -0.161 25495 647 1 2 . 1 1 51 51 ASN N N 51 116.752 116.752 119.958 -3.206 25495 648 1 2 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.052 0.104 25495 649 1 2 . 1 1 51 51 ASN CA C 51 51.184 51.184 51.025 0.159 25495 650 1 2 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.570 0.682 25495 651 1 2 . 1 1 51 51 ASN H H 51 8.706 8.706 8.580 0.126 25495 652 1 2 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.510 0.261 25495 653 1 2 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.453 -0.230 25495 654 1 2 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.172 -0.156 25495 655 1 2 . 1 1 53 53 THR N N 53 114.441 114.441 110.123 4.318 25495 656 1 2 . 1 1 53 53 THR HA H 53 4.623 4.623 4.614 0.009 25495 657 1 2 . 1 1 53 53 THR CA C 53 60.314 60.314 58.956 1.357 25495 658 1 2 . 1 1 53 53 THR CB C 53 68.422 68.422 68.804 -0.382 25495 659 1 2 . 1 1 53 53 THR H H 53 8.899 8.899 7.943 0.956 25495 660 1 2 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.099 0.082 25495 661 1 2 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.567 0.620 25495 662 1 2 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.599 0.169 25495 663 1 2 . 1 1 55 55 GLU N N 55 117.303 117.303 116.634 0.669 25495 664 1 2 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.015 0.010 25495 665 1 2 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.541 0.969 25495 666 1 2 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.574 0.192 25495 667 1 2 . 1 1 55 55 GLU H H 55 8.751 8.751 9.038 -0.287 25495 668 1 2 . 1 1 56 56 GLU N N 56 121.627 121.627 120.281 1.346 25495 669 1 2 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.162 -0.165 25495 670 1 2 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.572 0.628 25495 671 1 2 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.352 0.697 25495 672 1 2 . 1 1 56 56 GLU H H 56 7.813 7.813 7.658 0.155 25495 673 1 2 . 1 1 57 57 LEU N N 57 118.921 118.921 120.257 -1.336 25495 674 1 2 . 1 1 57 57 LEU HA H 57 4.032 4.032 3.966 0.066 25495 675 1 2 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.937 -0.163 25495 676 1 2 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.698 0.950 25495 677 1 2 . 1 1 57 57 LEU H H 57 8.143 8.143 7.669 0.474 25495 678 1 2 . 1 1 58 58 GLN N N 58 117.966 117.966 118.849 -0.883 25495 679 1 2 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.972 -0.266 25495 680 1 2 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.713 -0.476 25495 681 1 2 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.216 0.267 25495 682 1 2 . 1 1 58 58 GLN H H 58 8.001 8.001 8.095 -0.094 25495 683 1 2 . 1 1 59 59 GLU N N 59 119.177 119.177 120.427 -1.250 25495 684 1 2 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.026 0.015 25495 685 1 2 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.414 0.224 25495 686 1 2 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.540 -0.110 25495 687 1 2 . 1 1 59 59 GLU H H 59 7.935 7.935 7.926 0.009 25495 688 1 2 . 1 1 60 60 MET N N 60 117.654 117.654 117.748 -0.094 25495 689 1 2 . 1 1 60 60 MET HA H 60 3.936 3.936 4.361 -0.425 25495 690 1 2 . 1 1 60 60 MET CA C 60 59.488 59.488 58.338 1.150 25495 691 1 2 . 1 1 60 60 MET CB C 60 33.570 33.570 32.345 1.225 25495 692 1 2 . 1 1 60 60 MET H H 60 7.640 7.640 8.171 -0.531 25495 693 1 2 . 1 1 61 61 ILE N N 61 118.132 118.132 119.850 -1.718 25495 694 1 2 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.603 -0.248 25495 695 1 2 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.605 -1.214 25495 696 1 2 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.593 -0.154 25495 697 1 2 . 1 1 61 61 ILE H H 61 7.334 7.334 7.814 -0.480 25495 698 1 2 . 1 1 62 62 ASP N N 62 119.480 119.480 120.743 -1.263 25495 699 1 2 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.298 -0.024 25495 700 1 2 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.130 0.294 25495 701 1 2 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.611 -0.304 25495 702 1 2 . 1 1 62 62 ASP H H 62 8.754 8.754 8.071 0.683 25495 703 1 2 . 1 1 63 63 GLU N N 63 116.032 116.032 118.201 -2.169 25495 704 1 2 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.124 -0.093 25495 705 1 2 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.648 0.170 25495 706 1 2 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.012 0.447 25495 707 1 2 . 1 1 63 63 GLU H H 63 7.588 7.588 7.978 -0.390 25495 708 1 2 . 1 1 64 64 VAL N N 64 107.386 107.386 114.749 -7.363 25495 709 1 2 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.951 0.575 25495 710 1 2 . 1 1 64 64 VAL CA C 64 60.594 60.594 63.814 -3.220 25495 711 1 2 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.255 0.106 25495 712 1 2 . 1 1 64 64 VAL H H 64 7.222 7.222 7.133 0.089 25495 713 1 2 . 1 1 65 65 ASP N N 65 121.993 121.993 120.165 1.828 25495 714 1 2 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.556 0.104 25495 715 1 2 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.801 -0.331 25495 716 1 2 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.287 -0.890 25495 717 1 2 . 1 1 65 65 ASP H H 65 7.576 7.576 8.310 -0.734 25495 718 1 2 . 1 1 66 66 GLU N N 66 128.234 128.234 125.862 2.372 25495 719 1 2 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.145 0.035 25495 720 1 2 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.314 0.157 25495 721 1 2 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.715 1.155 25495 722 1 2 . 1 1 66 66 GLU H H 66 8.586 8.586 8.624 -0.038 25495 723 1 2 . 1 1 67 67 ASP N N 67 114.535 114.535 115.537 -1.002 25495 724 1 2 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.552 0.170 25495 725 1 2 . 1 1 67 67 ASP CA C 67 52.428 52.428 54.240 -1.812 25495 726 1 2 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.492 -0.155 25495 727 1 2 . 1 1 67 67 ASP H H 67 7.969 7.969 8.087 -0.118 25495 728 1 2 . 1 1 68 68 GLY N N 68 108.961 108.961 108.443 0.518 25495 729 1 2 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.966 1.212 25495 730 1 2 . 1 1 68 68 GLY H H 68 7.766 7.766 7.851 -0.085 25495 731 1 2 . 1 1 69 69 SER N N 69 116.683 116.683 116.397 0.286 25495 732 1 2 . 1 1 69 69 SER HA H 69 4.234 4.234 4.166 0.068 25495 733 1 2 . 1 1 69 69 SER CA C 69 60.271 60.271 59.444 0.827 25495 734 1 2 . 1 1 69 69 SER CB C 69 64.864 64.864 64.122 0.742 25495 735 1 2 . 1 1 69 69 SER H H 69 8.469 8.469 8.208 0.261 25495 736 1 2 . 1 1 70 70 GLY N N 70 116.564 116.564 110.133 6.431 25495 737 1 2 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.296 0.398 25495 738 1 2 . 1 1 70 70 GLY H H 70 10.834 10.834 9.178 1.656 25495 739 1 2 . 1 1 71 71 THR N N 71 107.543 107.543 111.100 -3.557 25495 740 1 2 . 1 1 71 71 THR HA H 71 4.891 4.891 5.220 -0.329 25495 741 1 2 . 1 1 71 71 THR CA C 71 58.480 58.480 60.024 -1.544 25495 742 1 2 . 1 1 71 71 THR CB C 71 73.920 73.920 72.479 1.441 25495 743 1 2 . 1 1 71 71 THR H H 71 7.651 7.651 7.667 -0.016 25495 744 1 2 . 1 1 72 72 VAL N N 72 126.890 126.890 123.167 3.723 25495 745 1 2 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.824 0.244 25495 746 1 2 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.105 1.586 25495 747 1 2 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.727 0.243 25495 748 1 2 . 1 1 72 72 VAL H H 72 9.698 9.698 8.891 0.807 25495 749 1 2 . 1 1 73 73 ASP N N 73 129.120 129.120 125.098 4.022 25495 750 1 2 . 1 1 73 73 ASP HA H 73 5.154 5.154 4.889 0.265 25495 751 1 2 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.548 -0.100 25495 752 1 2 . 1 1 73 73 ASP CB C 73 41.552 41.552 42.432 -0.880 25495 753 1 2 . 1 1 73 73 ASP H H 73 8.807 8.807 7.852 0.955 25495 754 1 2 . 1 1 74 74 PHE N N 74 118.110 118.110 118.331 -0.221 25495 755 1 2 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.905 -0.572 25495 756 1 2 . 1 1 74 74 PHE CA C 74 61.653 61.653 63.098 -1.445 25495 757 1 2 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.917 -0.377 25495 758 1 2 . 1 1 74 74 PHE H H 74 8.511 8.511 8.740 -0.229 25495 759 1 2 . 1 1 75 75 ASP N N 75 117.145 117.145 118.794 -1.649 25495 760 1 2 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.406 -0.425 25495 761 1 2 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.811 0.193 25495 762 1 2 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.044 0.298 25495 763 1 2 . 1 1 75 75 ASP H H 75 7.601 7.601 8.668 -1.067 25495 764 1 2 . 1 1 76 76 GLU N N 76 120.605 120.605 120.553 0.052 25495 765 1 2 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.950 0.100 25495 766 1 2 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.261 -0.931 25495 767 1 2 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.759 0.336 25495 768 1 2 . 1 1 76 76 GLU H H 76 8.235 8.235 9.559 -1.324 25495 769 1 2 . 1 1 77 77 PHE N N 77 123.122 123.122 121.409 1.713 25495 770 1 2 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.160 -0.185 25495 771 1 2 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.523 -1.015 25495 772 1 2 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.394 0.169 25495 773 1 2 . 1 1 77 77 PHE H H 77 8.983 8.983 8.559 0.424 25495 774 1 2 . 1 1 78 78 LEU N N 78 118.537 118.537 120.243 -1.706 25495 775 1 2 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.800 -0.511 25495 776 1 2 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.066 0.043 25495 777 1 2 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.410 0.070 25495 778 1 2 . 1 1 78 78 LEU H H 78 7.842 7.842 8.360 -0.518 25495 779 1 2 . 1 1 79 79 VAL N N 79 117.650 117.650 119.063 -1.413 25495 780 1 2 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.457 -0.186 25495 781 1 2 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.927 -0.492 25495 782 1 2 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.014 0.000 25495 783 1 2 . 1 1 79 79 VAL H H 79 6.834 6.834 7.884 -1.050 25495 784 1 2 . 1 1 80 80 MET N N 80 120.117 120.117 119.824 0.293 25495 785 1 2 . 1 1 80 80 MET HA H 80 3.550 3.550 3.878 -0.328 25495 786 1 2 . 1 1 80 80 MET CA C 80 59.506 59.506 59.109 0.397 25495 787 1 2 . 1 1 80 80 MET CB C 80 34.002 34.002 32.123 1.879 25495 788 1 2 . 1 1 80 80 MET H H 80 7.990 7.990 7.735 0.255 25495 789 1 2 . 1 1 81 81 MET N N 81 116.622 116.622 119.421 -2.799 25495 790 1 2 . 1 1 81 81 MET HA H 81 4.074 4.074 3.938 0.136 25495 791 1 2 . 1 1 81 81 MET CA C 81 56.657 56.657 59.159 -2.502 25495 792 1 2 . 1 1 81 81 MET CB C 81 32.334 32.334 32.449 -0.115 25495 793 1 2 . 1 1 81 81 MET H H 81 8.148 8.148 7.446 0.702 25495 794 1 2 . 1 1 82 82 VAL N N 82 117.651 117.651 119.424 -1.773 25495 795 1 2 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.601 0.333 25495 796 1 2 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.269 -0.092 25495 797 1 2 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.100 0.143 25495 798 1 2 . 1 1 82 82 VAL H H 82 8.082 8.082 7.731 0.351 25495 799 1 2 . 1 1 83 83 ARG N N 83 120.226 120.226 119.834 0.392 25495 800 1 2 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.027 -0.206 25495 801 1 2 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.615 -0.025 25495 802 1 2 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.285 -0.303 25495 803 1 2 . 1 1 83 83 ARG H H 83 8.086 8.086 8.120 -0.034 25495 804 1 2 . 1 1 84 84 CYS N N 84 115.892 115.892 116.672 -0.780 25495 805 1 2 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.297 0.137 25495 806 1 2 . 1 1 84 84 CYS CA C 84 61.537 61.537 61.806 -0.269 25495 807 1 2 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.374 0.066 25495 808 1 2 . 1 1 84 84 CYS H H 84 7.754 7.754 7.895 -0.141 25495 809 1 2 . 1 1 85 85 MET HA H 85 4.416 4.416 4.220 0.196 25495 810 1 2 . 1 1 85 85 MET CA C 85 57.720 57.720 57.423 0.297 25495 811 1 2 . 1 1 85 85 MET CB C 85 34.275 34.275 31.807 2.468 25495 812 1 2 . 1 1 86 86 LYS N N 86 119.961 119.961 116.755 3.206 25495 813 1 2 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.361 -0.013 25495 814 1 2 . 1 1 86 86 LYS CA C 86 56.728 56.728 55.248 1.480 25495 815 1 2 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.339 1.030 25495 816 1 2 . 1 1 86 86 LYS H H 86 7.886 7.886 7.531 0.355 25495 817 1 2 . 1 1 87 87 ASP N N 87 121.700 121.700 121.712 -0.012 25495 818 1 2 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.427 0.294 25495 819 1 2 . 1 1 87 87 ASP CA C 87 54.582 54.582 56.099 -1.517 25495 820 1 2 . 1 1 87 87 ASP CB C 87 41.302 41.302 40.702 0.600 25495 821 1 2 . 1 1 87 87 ASP H H 87 8.219 8.219 7.702 0.517 25495 822 1 2 . 1 1 88 88 ASP N N 88 121.739 121.739 123.549 -1.810 25495 823 1 2 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.836 -0.104 25495 824 1 2 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.617 0.637 25495 825 1 2 . 1 1 88 88 ASP CB C 88 41.348 41.348 41.101 0.247 25495 826 1 2 . 1 1 88 88 ASP H H 88 8.256 8.256 8.482 -0.226 25495 827 1 3 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.499 0.157 25495 828 1 3 . 1 1 2 2 ASP CA C 2 54.796 54.796 55.585 -0.789 25495 829 1 3 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.462 1.162 25495 830 1 3 . 1 1 3 3 ASP N N 3 122.846 122.846 120.242 2.604 25495 831 1 3 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.390 0.099 25495 832 1 3 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.358 -0.533 25495 833 1 3 . 1 1 3 3 ASP CB C 3 41.421 41.421 39.695 1.726 25495 834 1 3 . 1 1 3 3 ASP H H 3 8.509 8.509 8.679 -0.170 25495 835 1 3 . 1 1 4 4 ILE N N 4 119.356 119.356 120.907 -1.551 25495 836 1 3 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.587 0.329 25495 837 1 3 . 1 1 4 4 ILE CA C 4 63.695 63.695 65.019 -1.324 25495 838 1 3 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.824 0.032 25495 839 1 3 . 1 1 4 4 ILE H H 4 8.227 8.227 7.577 0.650 25495 840 1 3 . 1 1 5 5 TYR N N 5 121.143 121.143 118.277 2.866 25495 841 1 3 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.068 0.343 25495 842 1 3 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.145 -2.006 25495 843 1 3 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.862 -0.074 25495 844 1 3 . 1 1 5 5 TYR H H 5 7.639 7.639 8.164 -0.525 25495 845 1 3 . 1 1 6 6 LYS N N 6 120.843 120.843 120.840 0.003 25495 846 1 3 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.877 0.112 25495 847 1 3 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.924 -0.346 25495 848 1 3 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.401 -0.082 25495 849 1 3 . 1 1 6 6 LYS H H 6 7.929 7.929 8.410 -0.481 25495 850 1 3 . 1 1 7 7 ALA N N 7 120.497 120.497 120.970 -0.473 25495 851 1 3 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.097 0.047 25495 852 1 3 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.962 -0.311 25495 853 1 3 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.050 -0.072 25495 854 1 3 . 1 1 7 7 ALA H H 7 7.934 7.934 8.279 -0.345 25495 855 1 3 . 1 1 8 8 ALA N N 8 119.953 119.953 121.725 -1.772 25495 856 1 3 . 1 1 8 8 ALA HA H 8 4.182 4.182 4.006 0.176 25495 857 1 3 . 1 1 8 8 ALA CA C 8 54.675 54.675 55.059 -0.384 25495 858 1 3 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.169 0.304 25495 859 1 3 . 1 1 8 8 ALA H H 8 7.479 7.479 7.956 -0.477 25495 860 1 3 . 1 1 9 9 VAL N N 9 119.227 119.227 117.761 1.466 25495 861 1 3 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.633 -0.072 25495 862 1 3 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.556 -0.308 25495 863 1 3 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.311 0.753 25495 864 1 3 . 1 1 9 9 VAL H H 9 8.030 8.030 8.263 -0.233 25495 865 1 3 . 1 1 10 10 GLU N N 10 118.451 118.451 117.977 0.474 25495 866 1 3 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.158 -0.041 25495 867 1 3 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.401 -0.041 25495 868 1 3 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.719 -0.170 25495 869 1 3 . 1 1 10 10 GLU H H 10 7.763 7.763 8.047 -0.284 25495 870 1 3 . 1 1 11 11 GLN N N 11 114.938 114.938 116.836 -1.898 25495 871 1 3 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.140 0.166 25495 872 1 3 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.535 -0.923 25495 873 1 3 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.262 0.126 25495 874 1 3 . 1 1 11 11 GLN H H 11 7.405 7.405 8.010 -0.605 25495 875 1 3 . 1 1 12 12 LEU N N 12 120.828 120.828 120.334 0.494 25495 876 1 3 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.119 0.412 25495 877 1 3 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.787 -0.467 25495 878 1 3 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.677 0.449 25495 879 1 3 . 1 1 12 12 LEU H H 12 7.385 7.385 7.421 -0.036 25495 880 1 3 . 1 1 13 13 THR N N 13 113.928 113.928 114.775 -0.847 25495 881 1 3 . 1 1 13 13 THR HA H 13 4.445 4.445 4.398 0.047 25495 882 1 3 . 1 1 13 13 THR CA C 13 60.804 60.804 61.221 -0.417 25495 883 1 3 . 1 1 13 13 THR CB C 13 71.151 71.151 70.038 1.113 25495 884 1 3 . 1 1 13 13 THR H H 13 8.930 8.930 7.978 0.952 25495 885 1 3 . 1 1 14 14 GLU N N 14 121.720 121.720 122.347 -0.627 25495 886 1 3 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.972 0.016 25495 887 1 3 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.396 -0.438 25495 888 1 3 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.578 -0.303 25495 889 1 3 . 1 1 14 14 GLU H H 14 9.028 9.028 8.949 0.079 25495 890 1 3 . 1 1 15 15 GLU N N 15 117.744 117.744 118.907 -1.163 25495 891 1 3 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.049 0.014 25495 892 1 3 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.567 0.768 25495 893 1 3 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.343 -0.183 25495 894 1 3 . 1 1 15 15 GLU H H 15 8.651 8.651 8.612 0.039 25495 895 1 3 . 1 1 16 16 GLN N N 16 119.476 119.476 118.622 0.854 25495 896 1 3 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.086 -0.274 25495 897 1 3 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.854 0.255 25495 898 1 3 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.755 0.636 25495 899 1 3 . 1 1 16 16 GLN H H 16 7.872 7.872 7.807 0.065 25495 900 1 3 . 1 1 17 17 LYS N N 17 118.609 118.609 119.692 -1.083 25495 901 1 3 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.256 -0.245 25495 902 1 3 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.357 2.516 25495 903 1 3 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.155 -0.006 25495 904 1 3 . 1 1 17 17 LYS H H 17 8.572 8.572 7.972 0.600 25495 905 1 3 . 1 1 18 18 ASN N N 18 117.908 117.908 118.685 -0.777 25495 906 1 3 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.533 0.031 25495 907 1 3 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.180 -0.158 25495 908 1 3 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.006 -0.122 25495 909 1 3 . 1 1 18 18 ASN H H 18 8.581 8.581 8.432 0.149 25495 910 1 3 . 1 1 19 19 GLU N N 19 123.446 123.446 120.067 3.379 25495 911 1 3 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.095 0.083 25495 912 1 3 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.490 0.436 25495 913 1 3 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.585 -0.581 25495 914 1 3 . 1 1 19 19 GLU H H 19 7.993 7.993 8.206 -0.213 25495 915 1 3 . 1 1 20 20 PHE N N 20 117.821 117.821 120.192 -2.371 25495 916 1 3 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.424 0.498 25495 917 1 3 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.037 -0.193 25495 918 1 3 . 1 1 20 20 PHE CB C 20 37.902 37.902 39.257 -1.355 25495 919 1 3 . 1 1 20 20 PHE H H 20 8.528 8.528 8.168 0.360 25495 920 1 3 . 1 1 21 21 LYS N N 21 122.656 122.656 120.275 2.381 25495 921 1 3 . 1 1 21 21 LYS HA H 21 4.029 4.029 2.926 1.103 25495 922 1 3 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.200 -0.505 25495 923 1 3 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.155 -0.504 25495 924 1 3 . 1 1 21 21 LYS H H 21 8.929 8.929 8.200 0.729 25495 925 1 3 . 1 1 22 22 ALA N N 22 121.479 121.479 120.465 1.014 25495 926 1 3 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.061 0.145 25495 927 1 3 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.926 0.173 25495 928 1 3 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.028 -0.162 25495 929 1 3 . 1 1 22 22 ALA H H 22 7.799 7.799 7.778 0.021 25495 930 1 3 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.100 -0.017 25495 931 1 3 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.802 0.359 25495 932 1 3 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.312 0.685 25495 933 1 3 . 1 1 24 24 PHE N N 24 121.493 121.493 119.346 2.147 25495 934 1 3 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.802 -0.329 25495 935 1 3 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.492 0.934 25495 936 1 3 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.951 0.828 25495 937 1 3 . 1 1 24 24 PHE H H 24 9.053 9.053 7.942 1.111 25495 938 1 3 . 1 1 25 25 ASP N N 25 116.518 116.518 119.440 -2.922 25495 939 1 3 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.251 -0.022 25495 940 1 3 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.215 -0.190 25495 941 1 3 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.635 -0.772 25495 942 1 3 . 1 1 25 25 ASP H H 25 8.512 8.512 7.894 0.618 25495 943 1 3 . 1 1 26 26 ILE N N 26 119.213 119.213 119.330 -0.117 25495 944 1 3 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.599 0.186 25495 945 1 3 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.710 -1.022 25495 946 1 3 . 1 1 26 26 ILE CB C 26 37.954 37.954 37.987 -0.033 25495 947 1 3 . 1 1 26 26 ILE H H 26 7.221 7.221 7.485 -0.264 25495 948 1 3 . 1 1 27 27 PHE N N 27 123.265 123.265 118.268 4.997 25495 949 1 3 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.140 0.598 25495 950 1 3 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.352 -1.343 25495 951 1 3 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.279 1.031 25495 952 1 3 . 1 1 27 27 PHE H H 27 8.287 8.287 8.173 0.114 25495 953 1 3 . 1 1 28 28 VAL N N 28 106.013 106.013 113.776 -7.763 25495 954 1 3 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.364 -0.391 25495 955 1 3 . 1 1 28 28 VAL CA C 28 61.298 61.298 60.525 0.773 25495 956 1 3 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.293 1.286 25495 957 1 3 . 1 1 28 28 VAL H H 28 7.544 7.544 7.764 -0.220 25495 958 1 3 . 1 1 29 29 LEU N N 29 125.830 125.830 119.579 6.251 25495 959 1 3 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.111 -0.035 25495 960 1 3 . 1 1 29 29 LEU CA C 29 57.516 57.516 55.697 1.819 25495 961 1 3 . 1 1 29 29 LEU CB C 29 41.577 41.577 38.883 2.694 25495 962 1 3 . 1 1 29 29 LEU H H 29 7.240 7.240 7.407 -0.167 25495 963 1 3 . 1 1 30 30 GLY N N 30 112.625 112.625 108.249 4.376 25495 964 1 3 . 1 1 30 30 GLY CA C 30 45.409 45.409 45.004 0.405 25495 965 1 3 . 1 1 30 30 GLY H H 30 8.879 8.879 8.327 0.552 25495 966 1 3 . 1 1 31 31 ALA N N 31 124.424 124.424 121.875 2.549 25495 967 1 3 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.186 0.265 25495 968 1 3 . 1 1 31 31 ALA CA C 31 52.173 52.173 52.332 -0.159 25495 969 1 3 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.341 0.516 25495 970 1 3 . 1 1 31 31 ALA H H 31 8.077 8.077 7.898 0.179 25495 971 1 3 . 1 1 32 32 GLU N N 32 125.293 125.293 122.769 2.524 25495 972 1 3 . 1 1 32 32 GLU HA H 32 4.086 4.086 3.999 0.087 25495 973 1 3 . 1 1 32 32 GLU CA C 32 59.108 59.108 59.058 0.050 25495 974 1 3 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.736 0.090 25495 975 1 3 . 1 1 32 32 GLU H H 32 9.216 9.216 8.871 0.345 25495 976 1 3 . 1 1 33 33 ASP N N 33 115.502 115.502 117.390 -1.888 25495 977 1 3 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.619 0.090 25495 978 1 3 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.133 -1.141 25495 979 1 3 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.411 0.667 25495 980 1 3 . 1 1 33 33 ASP H H 33 8.177 8.177 8.215 -0.038 25495 981 1 3 . 1 1 34 34 GLY N N 34 105.896 105.896 108.721 -2.825 25495 982 1 3 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.234 1.404 25495 983 1 3 . 1 1 34 34 GLY H H 34 7.588 7.588 7.987 -0.399 25495 984 1 3 . 1 1 35 35 CYS N N 35 114.179 114.179 117.669 -3.490 25495 985 1 3 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.823 0.166 25495 986 1 3 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.781 -0.113 25495 987 1 3 . 1 1 35 35 CYS CB C 35 31.737 31.737 31.589 0.148 25495 988 1 3 . 1 1 35 35 CYS H H 35 7.438 7.438 8.679 -1.241 25495 989 1 3 . 1 1 36 36 ILE N N 36 119.578 119.578 123.260 -3.682 25495 990 1 3 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.213 -0.507 25495 991 1 3 . 1 1 36 36 ILE CA C 36 62.762 62.762 62.047 0.715 25495 992 1 3 . 1 1 36 36 ILE CB C 36 39.786 39.786 37.765 2.021 25495 993 1 3 . 1 1 36 36 ILE H H 36 8.847 8.847 8.339 0.508 25495 994 1 3 . 1 1 37 37 SER N N 37 126.282 126.282 122.548 3.734 25495 995 1 3 . 1 1 37 37 SER HA H 37 5.059 5.059 5.097 -0.038 25495 996 1 3 . 1 1 37 37 SER CA C 37 57.226 57.226 56.307 0.919 25495 997 1 3 . 1 1 37 37 SER CB C 37 66.983 66.983 65.776 1.207 25495 998 1 3 . 1 1 37 37 SER H H 37 9.462 9.462 8.321 1.141 25495 999 1 3 . 1 1 38 38 THR N N 38 112.015 112.015 113.522 -1.507 25495 1000 1 3 . 1 1 38 38 THR HA H 38 3.730 3.730 4.075 -0.345 25495 1001 1 3 . 1 1 38 38 THR CA C 38 66.443 66.443 65.796 0.647 25495 1002 1 3 . 1 1 38 38 THR CB C 38 67.740 67.740 68.251 -0.511 25495 1003 1 3 . 1 1 38 38 THR H H 38 8.796 8.796 8.851 -0.055 25495 1004 1 3 . 1 1 39 39 LYS N N 39 123.244 123.244 121.375 1.869 25495 1005 1 3 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.045 0.015 25495 1006 1 3 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.583 -0.026 25495 1007 1 3 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.180 0.060 25495 1008 1 3 . 1 1 39 39 LYS H H 39 8.050 8.050 7.503 0.547 25495 1009 1 3 . 1 1 40 40 GLU N N 40 119.359 119.359 119.489 -0.130 25495 1010 1 3 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.108 0.090 25495 1011 1 3 . 1 1 40 40 GLU CA C 40 60.766 60.766 58.838 1.928 25495 1012 1 3 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.435 0.479 25495 1013 1 3 . 1 1 40 40 GLU H H 40 7.750 7.750 7.676 0.074 25495 1014 1 3 . 1 1 41 41 LEU N N 41 119.256 119.256 120.554 -1.298 25495 1015 1 3 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.204 -0.006 25495 1016 1 3 . 1 1 41 41 LEU CA C 41 57.884 57.884 58.376 -0.492 25495 1017 1 3 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.731 0.847 25495 1018 1 3 . 1 1 41 41 LEU H H 41 8.349 8.349 8.455 -0.106 25495 1019 1 3 . 1 1 42 42 GLY N N 42 106.053 106.053 106.721 -0.668 25495 1020 1 3 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.301 0.839 25495 1021 1 3 . 1 1 42 42 GLY H H 42 8.503 8.503 8.251 0.252 25495 1022 1 3 . 1 1 43 43 LYS N N 43 120.946 120.946 122.566 -1.620 25495 1023 1 3 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.075 -0.068 25495 1024 1 3 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.729 1.232 25495 1025 1 3 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.156 0.219 25495 1026 1 3 . 1 1 43 43 LYS H H 43 7.319 7.319 7.459 -0.140 25495 1027 1 3 . 1 1 44 44 VAL N N 44 119.639 119.639 120.461 -0.822 25495 1028 1 3 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.643 -0.048 25495 1029 1 3 . 1 1 44 44 VAL CA C 44 66.306 66.306 65.762 0.544 25495 1030 1 3 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.359 0.433 25495 1031 1 3 . 1 1 44 44 VAL H H 44 7.570 7.570 7.895 -0.325 25495 1032 1 3 . 1 1 45 45 MET N N 45 116.846 116.846 117.530 -0.684 25495 1033 1 3 . 1 1 45 45 MET HA H 45 4.186 4.186 4.134 0.052 25495 1034 1 3 . 1 1 45 45 MET CA C 45 58.345 58.345 57.627 0.718 25495 1035 1 3 . 1 1 45 45 MET CB C 45 31.125 31.125 31.345 -0.220 25495 1036 1 3 . 1 1 45 45 MET H H 45 8.438 8.438 8.588 -0.150 25495 1037 1 3 . 1 1 46 46 ARG N N 46 118.762 118.762 119.472 -0.710 25495 1038 1 3 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.017 0.635 25495 1039 1 3 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.345 0.006 25495 1040 1 3 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.098 -0.043 25495 1041 1 3 . 1 1 46 46 ARG H H 46 8.114 8.114 7.815 0.299 25495 1042 1 3 . 1 1 47 47 MET N N 47 122.339 122.339 117.653 4.686 25495 1043 1 3 . 1 1 47 47 MET HA H 47 4.225 4.225 4.160 0.065 25495 1044 1 3 . 1 1 47 47 MET CA C 47 59.117 59.117 58.266 0.851 25495 1045 1 3 . 1 1 47 47 MET CB C 47 32.404 32.404 32.409 -0.005 25495 1046 1 3 . 1 1 47 47 MET H H 47 7.889 7.889 7.480 0.409 25495 1047 1 3 . 1 1 48 48 LEU N N 48 117.654 117.654 118.087 -0.433 25495 1048 1 3 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.207 0.201 25495 1049 1 3 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.606 -0.949 25495 1050 1 3 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.198 -0.419 25495 1051 1 3 . 1 1 48 48 LEU H H 48 7.516 7.516 7.417 0.099 25495 1052 1 3 . 1 1 49 49 GLY N N 49 107.494 107.494 105.096 2.398 25495 1053 1 3 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.601 1.298 25495 1054 1 3 . 1 1 49 49 GLY H H 49 7.875 7.875 7.697 0.178 25495 1055 1 3 . 1 1 50 50 GLN N N 50 118.165 118.165 120.175 -2.010 25495 1056 1 3 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.550 -0.046 25495 1057 1 3 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.500 -0.438 25495 1058 1 3 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.732 0.364 25495 1059 1 3 . 1 1 50 50 GLN H H 50 8.025 8.025 7.816 0.209 25495 1060 1 3 . 1 1 51 51 ASN N N 51 116.752 116.752 121.735 -4.983 25495 1061 1 3 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.040 0.116 25495 1062 1 3 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.198 0.986 25495 1063 1 3 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.237 0.015 25495 1064 1 3 . 1 1 51 51 ASN H H 51 8.706 8.706 8.610 0.096 25495 1065 1 3 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.692 0.079 25495 1066 1 3 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.617 -0.394 25495 1067 1 3 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.147 -0.131 25495 1068 1 3 . 1 1 53 53 THR N N 53 114.441 114.441 109.623 4.818 25495 1069 1 3 . 1 1 53 53 THR HA H 53 4.623 4.623 4.610 0.013 25495 1070 1 3 . 1 1 53 53 THR CA C 53 60.314 60.314 59.452 0.862 25495 1071 1 3 . 1 1 53 53 THR CB C 53 68.422 68.422 68.982 -0.560 25495 1072 1 3 . 1 1 53 53 THR H H 53 8.899 8.899 8.005 0.894 25495 1073 1 3 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.212 -0.031 25495 1074 1 3 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.201 0.986 25495 1075 1 3 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.920 -0.152 25495 1076 1 3 . 1 1 55 55 GLU N N 55 117.303 117.303 117.745 -0.442 25495 1077 1 3 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.065 -0.040 25495 1078 1 3 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.404 1.106 25495 1079 1 3 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.693 0.073 25495 1080 1 3 . 1 1 55 55 GLU H H 55 8.751 8.751 8.932 -0.181 25495 1081 1 3 . 1 1 56 56 GLU N N 56 121.627 121.627 120.130 1.497 25495 1082 1 3 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.394 -0.397 25495 1083 1 3 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.226 0.974 25495 1084 1 3 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.014 1.035 25495 1085 1 3 . 1 1 56 56 GLU H H 56 7.813 7.813 7.654 0.159 25495 1086 1 3 . 1 1 57 57 LEU N N 57 118.921 118.921 121.490 -2.569 25495 1087 1 3 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.036 -0.004 25495 1088 1 3 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.962 -0.188 25495 1089 1 3 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.589 1.059 25495 1090 1 3 . 1 1 57 57 LEU H H 57 8.143 8.143 7.616 0.527 25495 1091 1 3 . 1 1 58 58 GLN N N 58 117.966 117.966 119.302 -1.336 25495 1092 1 3 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.966 -0.260 25495 1093 1 3 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.239 -1.002 25495 1094 1 3 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.696 -0.213 25495 1095 1 3 . 1 1 58 58 GLN H H 58 8.001 8.001 7.931 0.070 25495 1096 1 3 . 1 1 59 59 GLU N N 59 119.177 119.177 119.881 -0.704 25495 1097 1 3 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.051 -0.010 25495 1098 1 3 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.323 0.315 25495 1099 1 3 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.472 -0.042 25495 1100 1 3 . 1 1 59 59 GLU H H 59 7.935 7.935 7.689 0.246 25495 1101 1 3 . 1 1 60 60 MET N N 60 117.654 117.654 118.878 -1.224 25495 1102 1 3 . 1 1 60 60 MET HA H 60 3.936 3.936 4.115 -0.179 25495 1103 1 3 . 1 1 60 60 MET CA C 60 59.488 59.488 59.636 -0.148 25495 1104 1 3 . 1 1 60 60 MET CB C 60 33.570 33.570 32.882 0.688 25495 1105 1 3 . 1 1 60 60 MET H H 60 7.640 7.640 8.144 -0.504 25495 1106 1 3 . 1 1 61 61 ILE N N 61 118.132 118.132 120.652 -2.520 25495 1107 1 3 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.538 -0.183 25495 1108 1 3 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.478 -1.087 25495 1109 1 3 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.485 -0.046 25495 1110 1 3 . 1 1 61 61 ILE H H 61 7.334 7.334 7.709 -0.375 25495 1111 1 3 . 1 1 62 62 ASP N N 62 119.480 119.480 120.301 -0.821 25495 1112 1 3 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.403 -0.129 25495 1113 1 3 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.062 0.362 25495 1114 1 3 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.131 0.176 25495 1115 1 3 . 1 1 62 62 ASP H H 62 8.754 8.754 8.337 0.417 25495 1116 1 3 . 1 1 63 63 GLU N N 63 116.032 116.032 118.851 -2.819 25495 1117 1 3 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.069 -0.038 25495 1118 1 3 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.961 -0.143 25495 1119 1 3 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.086 0.373 25495 1120 1 3 . 1 1 63 63 GLU H H 63 7.588 7.588 8.003 -0.415 25495 1121 1 3 . 1 1 64 64 VAL N N 64 107.386 107.386 117.031 -9.645 25495 1122 1 3 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.845 0.681 25495 1123 1 3 . 1 1 64 64 VAL CA C 64 60.594 60.594 64.287 -3.693 25495 1124 1 3 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.395 -0.034 25495 1125 1 3 . 1 1 64 64 VAL H H 64 7.222 7.222 7.486 -0.264 25495 1126 1 3 . 1 1 65 65 ASP N N 65 121.993 121.993 119.623 2.370 25495 1127 1 3 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.475 0.185 25495 1128 1 3 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.883 -0.413 25495 1129 1 3 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.217 -0.820 25495 1130 1 3 . 1 1 65 65 ASP H H 65 7.576 7.576 8.072 -0.496 25495 1131 1 3 . 1 1 66 66 GLU N N 66 128.234 128.234 125.439 2.795 25495 1132 1 3 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.016 0.164 25495 1133 1 3 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.576 -0.105 25495 1134 1 3 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.915 0.955 25495 1135 1 3 . 1 1 66 66 GLU H H 66 8.586 8.586 8.676 -0.090 25495 1136 1 3 . 1 1 67 67 ASP N N 67 114.535 114.535 114.700 -0.165 25495 1137 1 3 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.614 0.108 25495 1138 1 3 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.903 -1.474 25495 1139 1 3 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.391 -0.054 25495 1140 1 3 . 1 1 67 67 ASP H H 67 7.969 7.969 8.187 -0.218 25495 1141 1 3 . 1 1 68 68 GLY N N 68 108.961 108.961 107.499 1.462 25495 1142 1 3 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.869 1.309 25495 1143 1 3 . 1 1 68 68 GLY H H 68 7.766 7.766 7.624 0.142 25495 1144 1 3 . 1 1 69 69 SER N N 69 116.683 116.683 115.940 0.743 25495 1145 1 3 . 1 1 69 69 SER HA H 69 4.234 4.234 4.118 0.116 25495 1146 1 3 . 1 1 69 69 SER CA C 69 60.271 60.271 60.308 -0.037 25495 1147 1 3 . 1 1 69 69 SER CB C 69 64.864 64.864 63.864 1.000 25495 1148 1 3 . 1 1 69 69 SER H H 69 8.469 8.469 8.499 -0.030 25495 1149 1 3 . 1 1 70 70 GLY N N 70 116.564 116.564 109.291 7.273 25495 1150 1 3 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.295 0.399 25495 1151 1 3 . 1 1 70 70 GLY H H 70 10.834 10.834 8.295 2.539 25495 1152 1 3 . 1 1 71 71 THR N N 71 107.543 107.543 111.517 -3.974 25495 1153 1 3 . 1 1 71 71 THR HA H 71 4.891 4.891 5.060 -0.169 25495 1154 1 3 . 1 1 71 71 THR CA C 71 58.480 58.480 59.810 -1.330 25495 1155 1 3 . 1 1 71 71 THR CB C 71 73.920 73.920 72.602 1.318 25495 1156 1 3 . 1 1 71 71 THR H H 71 7.651 7.651 7.263 0.388 25495 1157 1 3 . 1 1 72 72 VAL N N 72 126.890 126.890 122.129 4.761 25495 1158 1 3 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.829 0.239 25495 1159 1 3 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.978 0.713 25495 1160 1 3 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.284 0.686 25495 1161 1 3 . 1 1 72 72 VAL H H 72 9.698 9.698 9.067 0.631 25495 1162 1 3 . 1 1 73 73 ASP N N 73 129.120 129.120 127.027 2.093 25495 1163 1 3 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.135 0.019 25495 1164 1 3 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.798 -0.350 25495 1165 1 3 . 1 1 73 73 ASP CB C 73 41.552 41.552 42.909 -1.357 25495 1166 1 3 . 1 1 73 73 ASP H H 73 8.807 8.807 8.995 -0.188 25495 1167 1 3 . 1 1 74 74 PHE N N 74 118.110 118.110 120.990 -2.880 25495 1168 1 3 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.781 -0.448 25495 1169 1 3 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.468 -0.815 25495 1170 1 3 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.174 -0.634 25495 1171 1 3 . 1 1 74 74 PHE H H 74 8.511 8.511 8.921 -0.410 25495 1172 1 3 . 1 1 75 75 ASP N N 75 117.145 117.145 118.779 -1.634 25495 1173 1 3 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.456 -0.475 25495 1174 1 3 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.842 0.162 25495 1175 1 3 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.681 0.661 25495 1176 1 3 . 1 1 75 75 ASP H H 75 7.601 7.601 8.775 -1.174 25495 1177 1 3 . 1 1 76 76 GLU N N 76 120.605 120.605 120.051 0.554 25495 1178 1 3 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.966 0.084 25495 1179 1 3 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.354 -1.024 25495 1180 1 3 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.335 0.760 25495 1181 1 3 . 1 1 76 76 GLU H H 76 8.235 8.235 8.546 -0.311 25495 1182 1 3 . 1 1 77 77 PHE N N 77 123.122 123.122 121.049 2.073 25495 1183 1 3 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.087 -0.112 25495 1184 1 3 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.627 -1.119 25495 1185 1 3 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.245 0.318 25495 1186 1 3 . 1 1 77 77 PHE H H 77 8.983 8.983 8.540 0.443 25495 1187 1 3 . 1 1 78 78 LEU N N 78 118.537 118.537 119.112 -0.575 25495 1188 1 3 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.354 -0.065 25495 1189 1 3 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.953 0.156 25495 1190 1 3 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.324 0.156 25495 1191 1 3 . 1 1 78 78 LEU H H 78 7.842 7.842 7.485 0.357 25495 1192 1 3 . 1 1 79 79 VAL N N 79 117.650 117.650 119.059 -1.409 25495 1193 1 3 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.554 -0.283 25495 1194 1 3 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.556 -0.121 25495 1195 1 3 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.096 -0.082 25495 1196 1 3 . 1 1 79 79 VAL H H 79 6.834 6.834 7.620 -0.786 25495 1197 1 3 . 1 1 80 80 MET N N 80 120.117 120.117 119.797 0.320 25495 1198 1 3 . 1 1 80 80 MET HA H 80 3.550 3.550 3.968 -0.418 25495 1199 1 3 . 1 1 80 80 MET CA C 80 59.506 59.506 58.113 1.393 25495 1200 1 3 . 1 1 80 80 MET CB C 80 34.002 34.002 31.752 2.251 25495 1201 1 3 . 1 1 80 80 MET H H 80 7.990 7.990 7.910 0.080 25495 1202 1 3 . 1 1 81 81 MET N N 81 116.622 116.622 119.651 -3.029 25495 1203 1 3 . 1 1 81 81 MET HA H 81 4.074 4.074 3.965 0.109 25495 1204 1 3 . 1 1 81 81 MET CA C 81 56.657 56.657 58.288 -1.631 25495 1205 1 3 . 1 1 81 81 MET CB C 81 32.334 32.334 31.474 0.860 25495 1206 1 3 . 1 1 81 81 MET H H 81 8.148 8.148 8.076 0.072 25495 1207 1 3 . 1 1 82 82 VAL N N 82 117.651 117.651 119.000 -1.349 25495 1208 1 3 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.609 0.325 25495 1209 1 3 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.174 0.003 25495 1210 1 3 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.078 0.165 25495 1211 1 3 . 1 1 82 82 VAL H H 82 8.082 8.082 7.883 0.199 25495 1212 1 3 . 1 1 83 83 ARG N N 83 120.226 120.226 120.807 -0.581 25495 1213 1 3 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.133 -0.312 25495 1214 1 3 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.666 -0.076 25495 1215 1 3 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.027 -0.045 25495 1216 1 3 . 1 1 83 83 ARG H H 83 8.086 8.086 8.125 -0.039 25495 1217 1 3 . 1 1 84 84 CYS N N 84 115.892 115.892 118.589 -2.697 25495 1218 1 3 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.409 0.025 25495 1219 1 3 . 1 1 84 84 CYS CA C 84 61.537 61.537 61.865 -0.329 25495 1220 1 3 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.040 0.400 25495 1221 1 3 . 1 1 84 84 CYS H H 84 7.754 7.754 8.369 -0.615 25495 1222 1 3 . 1 1 85 85 MET HA H 85 4.416 4.416 4.163 0.253 25495 1223 1 3 . 1 1 85 85 MET CA C 85 57.720 57.720 58.129 -0.409 25495 1224 1 3 . 1 1 85 85 MET CB C 85 34.275 34.275 32.428 1.847 25495 1225 1 3 . 1 1 86 86 LYS N N 86 119.961 119.961 117.550 2.411 25495 1226 1 3 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.108 0.240 25495 1227 1 3 . 1 1 86 86 LYS CA C 86 56.728 56.728 57.891 -1.163 25495 1228 1 3 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.984 0.385 25495 1229 1 3 . 1 1 86 86 LYS H H 86 7.886 7.886 7.651 0.235 25495 1230 1 3 . 1 1 87 87 ASP N N 87 121.700 121.700 118.116 3.584 25495 1231 1 3 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.800 -0.079 25495 1232 1 3 . 1 1 87 87 ASP CA C 87 54.582 54.582 53.536 1.046 25495 1233 1 3 . 1 1 87 87 ASP CB C 87 41.302 41.302 44.807 -3.505 25495 1234 1 3 . 1 1 87 87 ASP H H 87 8.219 8.219 7.819 0.400 25495 1235 1 3 . 1 1 88 88 ASP N N 88 121.739 121.739 121.738 0.001 25495 1236 1 3 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.913 -0.181 25495 1237 1 3 . 1 1 88 88 ASP CA C 88 54.254 54.254 52.944 1.310 25495 1238 1 3 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.882 1.466 25495 1239 1 3 . 1 1 88 88 ASP H H 88 8.256 8.256 8.467 -0.211 25495 1240 1 4 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.561 0.095 25495 1241 1 4 . 1 1 2 2 ASP CA C 2 54.796 54.796 54.920 -0.124 25495 1242 1 4 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.228 1.396 25495 1243 1 4 . 1 1 3 3 ASP N N 3 122.846 122.846 118.642 4.204 25495 1244 1 4 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.327 0.162 25495 1245 1 4 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.451 -0.626 25495 1246 1 4 . 1 1 3 3 ASP CB C 3 41.421 41.421 41.118 0.303 25495 1247 1 4 . 1 1 3 3 ASP H H 3 8.509 8.509 8.627 -0.118 25495 1248 1 4 . 1 1 4 4 ILE N N 4 119.356 119.356 119.819 -0.463 25495 1249 1 4 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.631 0.285 25495 1250 1 4 . 1 1 4 4 ILE CA C 4 63.695 63.695 65.123 -1.428 25495 1251 1 4 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.690 0.166 25495 1252 1 4 . 1 1 4 4 ILE H H 4 8.227 8.227 7.830 0.397 25495 1253 1 4 . 1 1 5 5 TYR N N 5 121.143 121.143 118.951 2.192 25495 1254 1 4 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.078 0.333 25495 1255 1 4 . 1 1 5 5 TYR CA C 5 60.139 60.139 61.465 -1.327 25495 1256 1 4 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.606 0.182 25495 1257 1 4 . 1 1 5 5 TYR H H 5 7.639 7.639 7.845 -0.206 25495 1258 1 4 . 1 1 6 6 LYS N N 6 120.843 120.843 119.605 1.238 25495 1259 1 4 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.940 0.049 25495 1260 1 4 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.133 0.445 25495 1261 1 4 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.122 0.197 25495 1262 1 4 . 1 1 6 6 LYS H H 6 7.929 7.929 8.170 -0.241 25495 1263 1 4 . 1 1 7 7 ALA N N 7 120.497 120.497 121.198 -0.701 25495 1264 1 4 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.097 0.047 25495 1265 1 4 . 1 1 7 7 ALA CA C 7 54.651 54.651 55.014 -0.363 25495 1266 1 4 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.094 -0.116 25495 1267 1 4 . 1 1 7 7 ALA H H 7 7.934 7.934 8.399 -0.465 25495 1268 1 4 . 1 1 8 8 ALA N N 8 119.953 119.953 122.039 -2.086 25495 1269 1 4 . 1 1 8 8 ALA HA H 8 4.182 4.182 4.285 -0.103 25495 1270 1 4 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.783 -0.108 25495 1271 1 4 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.388 0.085 25495 1272 1 4 . 1 1 8 8 ALA H H 8 7.479 7.479 8.126 -0.647 25495 1273 1 4 . 1 1 9 9 VAL N N 9 119.227 119.227 119.014 0.213 25495 1274 1 4 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.535 0.026 25495 1275 1 4 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.211 0.037 25495 1276 1 4 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.353 0.711 25495 1277 1 4 . 1 1 9 9 VAL H H 9 8.030 8.030 8.212 -0.182 25495 1278 1 4 . 1 1 10 10 GLU N N 10 118.451 118.451 118.660 -0.209 25495 1279 1 4 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.975 0.142 25495 1280 1 4 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.691 -0.331 25495 1281 1 4 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.620 -0.071 25495 1282 1 4 . 1 1 10 10 GLU H H 10 7.763 7.763 8.039 -0.276 25495 1283 1 4 . 1 1 11 11 GLN N N 11 114.938 114.938 117.013 -2.075 25495 1284 1 4 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.048 0.258 25495 1285 1 4 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.386 -1.774 25495 1286 1 4 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.144 0.244 25495 1287 1 4 . 1 1 11 11 GLN H H 11 7.405 7.405 7.932 -0.527 25495 1288 1 4 . 1 1 12 12 LEU N N 12 120.828 120.828 121.006 -0.178 25495 1289 1 4 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.174 0.357 25495 1290 1 4 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.712 -0.392 25495 1291 1 4 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.278 0.848 25495 1292 1 4 . 1 1 12 12 LEU H H 12 7.385 7.385 7.507 -0.122 25495 1293 1 4 . 1 1 13 13 THR N N 13 113.928 113.928 116.228 -2.300 25495 1294 1 4 . 1 1 13 13 THR HA H 13 4.445 4.445 4.441 0.004 25495 1295 1 4 . 1 1 13 13 THR CA C 13 60.804 60.804 60.737 0.067 25495 1296 1 4 . 1 1 13 13 THR CB C 13 71.151 71.151 70.110 1.041 25495 1297 1 4 . 1 1 13 13 THR H H 13 8.930 8.930 8.086 0.844 25495 1298 1 4 . 1 1 14 14 GLU N N 14 121.720 121.720 121.225 0.495 25495 1299 1 4 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.962 0.026 25495 1300 1 4 . 1 1 14 14 GLU CA C 14 59.958 59.958 59.749 0.209 25495 1301 1 4 . 1 1 14 14 GLU CB C 14 29.275 29.275 28.751 0.524 25495 1302 1 4 . 1 1 14 14 GLU H H 14 9.028 9.028 8.998 0.030 25495 1303 1 4 . 1 1 15 15 GLU N N 15 117.744 117.744 119.548 -1.804 25495 1304 1 4 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.146 -0.083 25495 1305 1 4 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.172 1.163 25495 1306 1 4 . 1 1 15 15 GLU CB C 15 29.160 29.160 28.906 0.254 25495 1307 1 4 . 1 1 15 15 GLU H H 15 8.651 8.651 8.686 -0.035 25495 1308 1 4 . 1 1 16 16 GLN N N 16 119.476 119.476 118.813 0.663 25495 1309 1 4 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.161 -0.349 25495 1310 1 4 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.304 0.805 25495 1311 1 4 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.245 1.146 25495 1312 1 4 . 1 1 16 16 GLN H H 16 7.872 7.872 7.628 0.244 25495 1313 1 4 . 1 1 17 17 LYS N N 17 118.609 118.609 119.744 -1.135 25495 1314 1 4 . 1 1 17 17 LYS HA H 17 4.011 4.011 3.873 0.138 25495 1315 1 4 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.060 2.813 25495 1316 1 4 . 1 1 17 17 LYS CB C 17 32.149 32.149 31.898 0.251 25495 1317 1 4 . 1 1 17 17 LYS H H 17 8.572 8.572 8.121 0.451 25495 1318 1 4 . 1 1 18 18 ASN N N 18 117.908 117.908 118.411 -0.503 25495 1319 1 4 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.562 0.002 25495 1320 1 4 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.327 -0.305 25495 1321 1 4 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.489 -0.605 25495 1322 1 4 . 1 1 18 18 ASN H H 18 8.581 8.581 8.200 0.381 25495 1323 1 4 . 1 1 19 19 GLU N N 19 123.446 123.446 120.495 2.951 25495 1324 1 4 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.139 0.039 25495 1325 1 4 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.481 0.445 25495 1326 1 4 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.662 -0.658 25495 1327 1 4 . 1 1 19 19 GLU H H 19 7.993 7.993 8.050 -0.057 25495 1328 1 4 . 1 1 20 20 PHE N N 20 117.821 117.821 119.509 -1.688 25495 1329 1 4 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.510 0.412 25495 1330 1 4 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.321 -1.477 25495 1331 1 4 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.760 -0.858 25495 1332 1 4 . 1 1 20 20 PHE H H 20 8.528 8.528 8.511 0.017 25495 1333 1 4 . 1 1 21 21 LYS N N 21 122.656 122.656 119.199 3.457 25495 1334 1 4 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.273 -0.244 25495 1335 1 4 . 1 1 21 21 LYS CA C 21 58.695 58.695 60.076 -1.381 25495 1336 1 4 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.352 -0.701 25495 1337 1 4 . 1 1 21 21 LYS H H 21 8.929 8.929 8.227 0.702 25495 1338 1 4 . 1 1 22 22 ALA N N 22 121.479 121.479 121.952 -0.473 25495 1339 1 4 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.176 0.030 25495 1340 1 4 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.116 -0.016 25495 1341 1 4 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.271 -0.405 25495 1342 1 4 . 1 1 22 22 ALA H H 22 7.799 7.799 7.836 -0.037 25495 1343 1 4 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.103 -0.020 25495 1344 1 4 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.920 0.241 25495 1345 1 4 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.343 0.653 25495 1346 1 4 . 1 1 24 24 PHE N N 24 121.493 121.493 118.980 2.513 25495 1347 1 4 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.651 -0.178 25495 1348 1 4 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.481 0.945 25495 1349 1 4 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.011 0.768 25495 1350 1 4 . 1 1 24 24 PHE H H 24 9.053 9.053 8.016 1.037 25495 1351 1 4 . 1 1 25 25 ASP N N 25 116.518 116.518 119.527 -3.009 25495 1352 1 4 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.330 -0.101 25495 1353 1 4 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.401 -0.376 25495 1354 1 4 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.419 -0.556 25495 1355 1 4 . 1 1 25 25 ASP H H 25 8.512 8.512 8.617 -0.105 25495 1356 1 4 . 1 1 26 26 ILE N N 26 119.213 119.213 118.613 0.600 25495 1357 1 4 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.723 0.062 25495 1358 1 4 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.314 -0.626 25495 1359 1 4 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.193 -0.239 25495 1360 1 4 . 1 1 26 26 ILE H H 26 7.221 7.221 7.683 -0.462 25495 1361 1 4 . 1 1 27 27 PHE N N 27 123.265 123.265 120.316 2.949 25495 1362 1 4 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.015 0.723 25495 1363 1 4 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.376 -1.367 25495 1364 1 4 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.024 1.286 25495 1365 1 4 . 1 1 27 27 PHE H H 27 8.287 8.287 8.308 -0.021 25495 1366 1 4 . 1 1 28 28 VAL N N 28 106.013 106.013 114.753 -8.740 25495 1367 1 4 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.979 -0.006 25495 1368 1 4 . 1 1 28 28 VAL CA C 28 61.298 61.298 62.462 -1.164 25495 1369 1 4 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.850 1.729 25495 1370 1 4 . 1 1 28 28 VAL H H 28 7.544 7.544 7.649 -0.105 25495 1371 1 4 . 1 1 29 29 LEU N N 29 125.830 125.830 118.610 7.220 25495 1372 1 4 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.323 -0.247 25495 1373 1 4 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.624 0.892 25495 1374 1 4 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.361 1.216 25495 1375 1 4 . 1 1 29 29 LEU H H 29 7.240 7.240 7.995 -0.755 25495 1376 1 4 . 1 1 30 30 GLY N N 30 112.625 112.625 104.422 8.203 25495 1377 1 4 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.809 0.600 25495 1378 1 4 . 1 1 30 30 GLY H H 30 8.879 8.879 7.868 1.011 25495 1379 1 4 . 1 1 31 31 ALA N N 31 124.424 124.424 124.019 0.405 25495 1380 1 4 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.737 -0.286 25495 1381 1 4 . 1 1 31 31 ALA CA C 31 52.173 52.173 50.944 1.230 25495 1382 1 4 . 1 1 31 31 ALA CB C 31 19.857 19.857 20.619 -0.762 25495 1383 1 4 . 1 1 31 31 ALA H H 31 8.077 8.077 7.886 0.191 25495 1384 1 4 . 1 1 32 32 GLU N N 32 125.293 125.293 123.216 2.077 25495 1385 1 4 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.097 -0.011 25495 1386 1 4 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.350 0.758 25495 1387 1 4 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.361 0.465 25495 1388 1 4 . 1 1 32 32 GLU H H 32 9.216 9.216 8.839 0.377 25495 1389 1 4 . 1 1 33 33 ASP N N 33 115.502 115.502 119.364 -3.862 25495 1390 1 4 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.696 0.013 25495 1391 1 4 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.206 -1.214 25495 1392 1 4 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.383 0.695 25495 1393 1 4 . 1 1 33 33 ASP H H 33 8.177 8.177 8.094 0.083 25495 1394 1 4 . 1 1 34 34 GLY N N 34 105.896 105.896 107.260 -1.364 25495 1395 1 4 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.380 1.258 25495 1396 1 4 . 1 1 34 34 GLY H H 34 7.588 7.588 7.690 -0.102 25495 1397 1 4 . 1 1 35 35 CYS N N 35 114.179 114.179 118.333 -4.154 25495 1398 1 4 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.760 0.229 25495 1399 1 4 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.913 -0.245 25495 1400 1 4 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.225 1.512 25495 1401 1 4 . 1 1 35 35 CYS H H 35 7.438 7.438 7.615 -0.177 25495 1402 1 4 . 1 1 36 36 ILE N N 36 119.578 119.578 125.409 -5.831 25495 1403 1 4 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.296 -0.590 25495 1404 1 4 . 1 1 36 36 ILE CA C 36 62.762 62.762 59.601 3.161 25495 1405 1 4 . 1 1 36 36 ILE CB C 36 39.786 39.786 36.653 3.133 25495 1406 1 4 . 1 1 36 36 ILE H H 36 8.847 8.847 8.328 0.519 25495 1407 1 4 . 1 1 37 37 SER N N 37 126.282 126.282 123.115 3.167 25495 1408 1 4 . 1 1 37 37 SER HA H 37 5.059 5.059 5.234 -0.175 25495 1409 1 4 . 1 1 37 37 SER CA C 37 57.226 57.226 57.205 0.021 25495 1410 1 4 . 1 1 37 37 SER CB C 37 66.983 66.983 65.671 1.312 25495 1411 1 4 . 1 1 37 37 SER H H 37 9.462 9.462 9.515 -0.053 25495 1412 1 4 . 1 1 38 38 THR N N 38 112.015 112.015 116.052 -4.037 25495 1413 1 4 . 1 1 38 38 THR HA H 38 3.730 3.730 4.089 -0.359 25495 1414 1 4 . 1 1 38 38 THR CA C 38 66.443 66.443 65.864 0.579 25495 1415 1 4 . 1 1 38 38 THR CB C 38 67.740 67.740 68.639 -0.900 25495 1416 1 4 . 1 1 38 38 THR H H 38 8.796 8.796 8.761 0.035 25495 1417 1 4 . 1 1 39 39 LYS N N 39 123.244 123.244 120.852 2.392 25495 1418 1 4 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.062 -0.002 25495 1419 1 4 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.882 -0.325 25495 1420 1 4 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.019 0.221 25495 1421 1 4 . 1 1 39 39 LYS H H 39 8.050 8.050 8.272 -0.222 25495 1422 1 4 . 1 1 40 40 GLU N N 40 119.359 119.359 119.276 0.083 25495 1423 1 4 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.138 0.060 25495 1424 1 4 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.273 1.493 25495 1425 1 4 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.114 0.800 25495 1426 1 4 . 1 1 40 40 GLU H H 40 7.750 7.750 8.261 -0.511 25495 1427 1 4 . 1 1 41 41 LEU N N 41 119.256 119.256 120.376 -1.120 25495 1428 1 4 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.151 0.047 25495 1429 1 4 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.593 0.291 25495 1430 1 4 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.715 0.863 25495 1431 1 4 . 1 1 41 41 LEU H H 41 8.349 8.349 8.208 0.141 25495 1432 1 4 . 1 1 42 42 GLY N N 42 106.053 106.053 106.697 -0.644 25495 1433 1 4 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.295 0.845 25495 1434 1 4 . 1 1 42 42 GLY H H 42 8.503 8.503 8.425 0.078 25495 1435 1 4 . 1 1 43 43 LYS N N 43 120.946 120.946 122.164 -1.218 25495 1436 1 4 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.153 -0.146 25495 1437 1 4 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.574 1.387 25495 1438 1 4 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.160 0.214 25495 1439 1 4 . 1 1 43 43 LYS H H 43 7.319 7.319 7.451 -0.132 25495 1440 1 4 . 1 1 44 44 VAL N N 44 119.639 119.639 120.724 -1.085 25495 1441 1 4 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.508 0.087 25495 1442 1 4 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.763 -0.457 25495 1443 1 4 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.428 0.364 25495 1444 1 4 . 1 1 44 44 VAL H H 44 7.570 7.570 7.507 0.063 25495 1445 1 4 . 1 1 45 45 MET N N 45 116.846 116.846 117.818 -0.972 25495 1446 1 4 . 1 1 45 45 MET HA H 45 4.186 4.186 4.124 0.062 25495 1447 1 4 . 1 1 45 45 MET CA C 45 58.345 58.345 58.094 0.251 25495 1448 1 4 . 1 1 45 45 MET CB C 45 31.125 31.125 31.324 -0.199 25495 1449 1 4 . 1 1 45 45 MET H H 45 8.438 8.438 8.588 -0.150 25495 1450 1 4 . 1 1 46 46 ARG N N 46 118.762 118.762 119.711 -0.949 25495 1451 1 4 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.223 0.429 25495 1452 1 4 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.163 0.188 25495 1453 1 4 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.091 -0.036 25495 1454 1 4 . 1 1 46 46 ARG H H 46 8.114 8.114 7.674 0.440 25495 1455 1 4 . 1 1 47 47 MET N N 47 122.339 122.339 119.186 3.153 25495 1456 1 4 . 1 1 47 47 MET HA H 47 4.225 4.225 4.186 0.039 25495 1457 1 4 . 1 1 47 47 MET CA C 47 59.117 59.117 57.871 1.246 25495 1458 1 4 . 1 1 47 47 MET CB C 47 32.404 32.404 31.880 0.524 25495 1459 1 4 . 1 1 47 47 MET H H 47 7.889 7.889 7.711 0.178 25495 1460 1 4 . 1 1 48 48 LEU N N 48 117.654 117.654 116.730 0.924 25495 1461 1 4 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.325 0.083 25495 1462 1 4 . 1 1 48 48 LEU CA C 48 54.657 54.657 54.855 -0.198 25495 1463 1 4 . 1 1 48 48 LEU CB C 48 41.779 41.779 41.916 -0.137 25495 1464 1 4 . 1 1 48 48 LEU H H 48 7.516 7.516 7.666 -0.150 25495 1465 1 4 . 1 1 49 49 GLY N N 49 107.494 107.494 106.537 0.957 25495 1466 1 4 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.921 0.978 25495 1467 1 4 . 1 1 49 49 GLY H H 49 7.875 7.875 7.758 0.117 25495 1468 1 4 . 1 1 50 50 GLN N N 50 118.165 118.165 119.662 -1.497 25495 1469 1 4 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.522 -0.018 25495 1470 1 4 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.189 -0.127 25495 1471 1 4 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.230 -0.134 25495 1472 1 4 . 1 1 50 50 GLN H H 50 8.025 8.025 8.254 -0.229 25495 1473 1 4 . 1 1 51 51 ASN N N 51 116.752 116.752 120.209 -3.457 25495 1474 1 4 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.038 0.118 25495 1475 1 4 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.317 0.867 25495 1476 1 4 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.588 -0.336 25495 1477 1 4 . 1 1 51 51 ASN H H 51 8.706 8.706 8.678 0.028 25495 1478 1 4 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.667 0.104 25495 1479 1 4 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.600 -0.377 25495 1480 1 4 . 1 1 52 52 PRO CB C 52 32.016 32.016 33.571 -1.554 25495 1481 1 4 . 1 1 53 53 THR N N 53 114.441 114.441 108.951 5.490 25495 1482 1 4 . 1 1 53 53 THR HA H 53 4.623 4.623 4.762 -0.139 25495 1483 1 4 . 1 1 53 53 THR CA C 53 60.314 60.314 58.750 1.564 25495 1484 1 4 . 1 1 53 53 THR CB C 53 68.422 68.422 70.278 -1.856 25495 1485 1 4 . 1 1 53 53 THR H H 53 8.899 8.899 7.702 1.197 25495 1486 1 4 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.180 0.001 25495 1487 1 4 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.856 0.331 25495 1488 1 4 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.530 0.238 25495 1489 1 4 . 1 1 55 55 GLU N N 55 117.303 117.303 116.515 0.788 25495 1490 1 4 . 1 1 55 55 GLU HA H 55 4.025 4.025 3.994 0.031 25495 1491 1 4 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.576 0.934 25495 1492 1 4 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.605 0.161 25495 1493 1 4 . 1 1 55 55 GLU H H 55 8.751 8.751 8.994 -0.243 25495 1494 1 4 . 1 1 56 56 GLU N N 56 121.627 121.627 120.082 1.545 25495 1495 1 4 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.127 -0.130 25495 1496 1 4 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.556 0.644 25495 1497 1 4 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.024 1.025 25495 1498 1 4 . 1 1 56 56 GLU H H 56 7.813 7.813 7.738 0.075 25495 1499 1 4 . 1 1 57 57 LEU N N 57 118.921 118.921 121.254 -2.333 25495 1500 1 4 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.007 0.025 25495 1501 1 4 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.833 -0.059 25495 1502 1 4 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.480 1.168 25495 1503 1 4 . 1 1 57 57 LEU H H 57 8.143 8.143 7.999 0.144 25495 1504 1 4 . 1 1 58 58 GLN N N 58 117.966 117.966 119.094 -1.128 25495 1505 1 4 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.957 -0.251 25495 1506 1 4 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.199 -0.962 25495 1507 1 4 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.285 0.198 25495 1508 1 4 . 1 1 58 58 GLN H H 58 8.001 8.001 8.373 -0.372 25495 1509 1 4 . 1 1 59 59 GLU N N 59 119.177 119.177 120.795 -1.618 25495 1510 1 4 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.090 -0.049 25495 1511 1 4 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.070 0.568 25495 1512 1 4 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.158 0.272 25495 1513 1 4 . 1 1 59 59 GLU H H 59 7.935 7.935 7.732 0.203 25495 1514 1 4 . 1 1 60 60 MET N N 60 117.654 117.654 118.131 -0.477 25495 1515 1 4 . 1 1 60 60 MET HA H 60 3.936 3.936 4.170 -0.234 25495 1516 1 4 . 1 1 60 60 MET CA C 60 59.488 59.488 58.456 1.032 25495 1517 1 4 . 1 1 60 60 MET CB C 60 33.570 33.570 32.196 1.374 25495 1518 1 4 . 1 1 60 60 MET H H 60 7.640 7.640 7.864 -0.224 25495 1519 1 4 . 1 1 61 61 ILE N N 61 118.132 118.132 119.649 -1.517 25495 1520 1 4 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.630 -0.275 25495 1521 1 4 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.197 -0.806 25495 1522 1 4 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.581 -0.142 25495 1523 1 4 . 1 1 61 61 ILE H H 61 7.334 7.334 7.911 -0.577 25495 1524 1 4 . 1 1 62 62 ASP N N 62 119.480 119.480 120.051 -0.571 25495 1525 1 4 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.270 0.004 25495 1526 1 4 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.453 -0.029 25495 1527 1 4 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.899 -0.592 25495 1528 1 4 . 1 1 62 62 ASP H H 62 8.754 8.754 8.215 0.539 25495 1529 1 4 . 1 1 63 63 GLU N N 63 116.032 116.032 117.414 -1.382 25495 1530 1 4 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.082 -0.051 25495 1531 1 4 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.799 0.019 25495 1532 1 4 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.932 0.527 25495 1533 1 4 . 1 1 63 63 GLU H H 63 7.588 7.588 7.928 -0.340 25495 1534 1 4 . 1 1 64 64 VAL N N 64 107.386 107.386 111.420 -4.034 25495 1535 1 4 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.142 0.384 25495 1536 1 4 . 1 1 64 64 VAL CA C 64 60.594 60.594 62.603 -2.009 25495 1537 1 4 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.165 0.196 25495 1538 1 4 . 1 1 64 64 VAL H H 64 7.222 7.222 7.223 -0.001 25495 1539 1 4 . 1 1 65 65 ASP N N 65 121.993 121.993 121.640 0.353 25495 1540 1 4 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.674 -0.014 25495 1541 1 4 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.881 -1.411 25495 1542 1 4 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.688 -1.291 25495 1543 1 4 . 1 1 65 65 ASP H H 65 7.576 7.576 7.940 -0.364 25495 1544 1 4 . 1 1 66 66 GLU N N 66 128.234 128.234 125.544 2.690 25495 1545 1 4 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.112 0.068 25495 1546 1 4 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.148 0.323 25495 1547 1 4 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.778 1.092 25495 1548 1 4 . 1 1 66 66 GLU H H 66 8.586 8.586 8.679 -0.093 25495 1549 1 4 . 1 1 67 67 ASP N N 67 114.535 114.535 117.545 -3.010 25495 1550 1 4 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.606 0.116 25495 1551 1 4 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.169 -0.741 25495 1552 1 4 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.054 0.283 25495 1553 1 4 . 1 1 67 67 ASP H H 67 7.969 7.969 7.923 0.046 25495 1554 1 4 . 1 1 68 68 GLY N N 68 108.961 108.961 108.992 -0.031 25495 1555 1 4 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.892 1.286 25495 1556 1 4 . 1 1 68 68 GLY H H 68 7.766 7.766 7.843 -0.077 25495 1557 1 4 . 1 1 69 69 SER N N 69 116.683 116.683 116.190 0.493 25495 1558 1 4 . 1 1 69 69 SER HA H 69 4.234 4.234 4.147 0.087 25495 1559 1 4 . 1 1 69 69 SER CA C 69 60.271 60.271 59.825 0.445 25495 1560 1 4 . 1 1 69 69 SER CB C 69 64.864 64.864 63.870 0.994 25495 1561 1 4 . 1 1 69 69 SER H H 69 8.469 8.469 8.379 0.090 25495 1562 1 4 . 1 1 70 70 GLY N N 70 116.564 116.564 111.370 5.194 25495 1563 1 4 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.355 0.339 25495 1564 1 4 . 1 1 70 70 GLY H H 70 10.834 10.834 9.280 1.554 25495 1565 1 4 . 1 1 71 71 THR N N 71 107.543 107.543 113.292 -5.749 25495 1566 1 4 . 1 1 71 71 THR HA H 71 4.891 4.891 4.993 -0.102 25495 1567 1 4 . 1 1 71 71 THR CA C 71 58.480 58.480 60.389 -1.909 25495 1568 1 4 . 1 1 71 71 THR CB C 71 73.920 73.920 71.909 2.011 25495 1569 1 4 . 1 1 71 71 THR H H 71 7.651 7.651 7.649 0.002 25495 1570 1 4 . 1 1 72 72 VAL N N 72 126.890 126.890 124.142 2.748 25495 1571 1 4 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.474 0.594 25495 1572 1 4 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.437 0.254 25495 1573 1 4 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.301 0.669 25495 1574 1 4 . 1 1 72 72 VAL H H 72 9.698 9.698 8.764 0.934 25495 1575 1 4 . 1 1 73 73 ASP N N 73 129.120 129.120 126.546 2.574 25495 1576 1 4 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.015 0.139 25495 1577 1 4 . 1 1 73 73 ASP CA C 73 52.448 52.448 53.329 -0.881 25495 1578 1 4 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.118 -1.566 25495 1579 1 4 . 1 1 73 73 ASP H H 73 8.807 8.807 8.585 0.222 25495 1580 1 4 . 1 1 74 74 PHE N N 74 118.110 118.110 121.458 -3.348 25495 1581 1 4 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.449 -0.116 25495 1582 1 4 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.164 -0.511 25495 1583 1 4 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.208 -0.668 25495 1584 1 4 . 1 1 74 74 PHE H H 74 8.511 8.511 8.888 -0.377 25495 1585 1 4 . 1 1 75 75 ASP N N 75 117.145 117.145 118.590 -1.445 25495 1586 1 4 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.231 -0.250 25495 1587 1 4 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.105 -0.101 25495 1588 1 4 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.040 0.302 25495 1589 1 4 . 1 1 75 75 ASP H H 75 7.601 7.601 8.621 -1.020 25495 1590 1 4 . 1 1 76 76 GLU N N 76 120.605 120.605 119.762 0.843 25495 1591 1 4 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.924 0.126 25495 1592 1 4 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.319 -0.989 25495 1593 1 4 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.358 0.737 25495 1594 1 4 . 1 1 76 76 GLU H H 76 8.235 8.235 8.478 -0.243 25495 1595 1 4 . 1 1 77 77 PHE N N 77 123.122 123.122 121.471 1.651 25495 1596 1 4 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.082 -0.107 25495 1597 1 4 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.213 -0.705 25495 1598 1 4 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.942 0.621 25495 1599 1 4 . 1 1 77 77 PHE H H 77 8.983 8.983 8.521 0.462 25495 1600 1 4 . 1 1 78 78 LEU N N 78 118.537 118.537 118.958 -0.421 25495 1601 1 4 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.404 -0.115 25495 1602 1 4 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.123 -0.014 25495 1603 1 4 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.620 -0.140 25495 1604 1 4 . 1 1 78 78 LEU H H 78 7.842 7.842 7.594 0.248 25495 1605 1 4 . 1 1 79 79 VAL N N 79 117.650 117.650 119.250 -1.600 25495 1606 1 4 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.574 -0.303 25495 1607 1 4 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.545 -0.110 25495 1608 1 4 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.122 -0.108 25495 1609 1 4 . 1 1 79 79 VAL H H 79 6.834 6.834 7.990 -1.156 25495 1610 1 4 . 1 1 80 80 MET N N 80 120.117 120.117 120.442 -0.325 25495 1611 1 4 . 1 1 80 80 MET HA H 80 3.550 3.550 4.064 -0.514 25495 1612 1 4 . 1 1 80 80 MET CA C 80 59.506 59.506 58.166 1.340 25495 1613 1 4 . 1 1 80 80 MET CB C 80 34.002 34.002 31.907 2.095 25495 1614 1 4 . 1 1 80 80 MET H H 80 7.990 7.990 8.674 -0.684 25495 1615 1 4 . 1 1 81 81 MET N N 81 116.622 116.622 119.472 -2.850 25495 1616 1 4 . 1 1 81 81 MET HA H 81 4.074 4.074 4.066 0.008 25495 1617 1 4 . 1 1 81 81 MET CA C 81 56.657 56.657 59.253 -2.596 25495 1618 1 4 . 1 1 81 81 MET CB C 81 32.334 32.334 32.286 0.048 25495 1619 1 4 . 1 1 81 81 MET H H 81 8.148 8.148 8.000 0.148 25495 1620 1 4 . 1 1 82 82 VAL N N 82 117.651 117.651 119.982 -2.331 25495 1621 1 4 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.719 0.215 25495 1622 1 4 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.796 -0.619 25495 1623 1 4 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.222 0.021 25495 1624 1 4 . 1 1 82 82 VAL H H 82 8.082 8.082 8.051 0.031 25495 1625 1 4 . 1 1 83 83 ARG N N 83 120.226 120.226 120.708 -0.482 25495 1626 1 4 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.255 -0.434 25495 1627 1 4 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.673 -0.083 25495 1628 1 4 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.227 -0.244 25495 1629 1 4 . 1 1 83 83 ARG H H 83 8.086 8.086 8.376 -0.290 25495 1630 1 4 . 1 1 84 84 CYS N N 84 115.892 115.892 117.108 -1.216 25495 1631 1 4 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.294 0.140 25495 1632 1 4 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.247 -0.710 25495 1633 1 4 . 1 1 84 84 CYS CB C 84 27.440 27.440 26.776 0.663 25495 1634 1 4 . 1 1 84 84 CYS H H 84 7.754 7.754 7.979 -0.225 25495 1635 1 4 . 1 1 85 85 MET HA H 85 4.416 4.416 4.178 0.238 25495 1636 1 4 . 1 1 85 85 MET CA C 85 57.720 57.720 58.631 -0.911 25495 1637 1 4 . 1 1 85 85 MET CB C 85 34.275 34.275 33.028 1.247 25495 1638 1 4 . 1 1 86 86 LYS N N 86 119.961 119.961 115.623 4.338 25495 1639 1 4 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.283 0.065 25495 1640 1 4 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.368 0.360 25495 1641 1 4 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.135 0.234 25495 1642 1 4 . 1 1 86 86 LYS H H 86 7.886 7.886 7.714 0.172 25495 1643 1 4 . 1 1 87 87 ASP N N 87 121.700 121.700 117.610 4.090 25495 1644 1 4 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.370 0.351 25495 1645 1 4 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.292 -0.710 25495 1646 1 4 . 1 1 87 87 ASP CB C 87 41.302 41.302 39.287 2.015 25495 1647 1 4 . 1 1 87 87 ASP H H 87 8.219 8.219 7.871 0.348 25495 1648 1 4 . 1 1 88 88 ASP N N 88 121.739 121.739 117.810 3.929 25495 1649 1 4 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.800 -0.068 25495 1650 1 4 . 1 1 88 88 ASP CA C 88 54.254 54.254 52.151 2.103 25495 1651 1 4 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.497 1.851 25495 1652 1 4 . 1 1 88 88 ASP H H 88 8.256 8.256 7.918 0.338 25495 1653 1 5 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.442 0.214 25495 1654 1 5 . 1 1 2 2 ASP CA C 2 54.796 54.796 56.471 -1.675 25495 1655 1 5 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.610 1.014 25495 1656 1 5 . 1 1 3 3 ASP N N 3 122.846 122.846 120.226 2.620 25495 1657 1 5 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.445 0.044 25495 1658 1 5 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.405 -0.580 25495 1659 1 5 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.524 0.897 25495 1660 1 5 . 1 1 3 3 ASP H H 3 8.509 8.509 8.643 -0.135 25495 1661 1 5 . 1 1 4 4 ILE N N 4 119.356 119.356 119.907 -0.551 25495 1662 1 5 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.572 0.344 25495 1663 1 5 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.796 -1.101 25495 1664 1 5 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.921 -0.065 25495 1665 1 5 . 1 1 4 4 ILE H H 4 8.227 8.227 7.449 0.778 25495 1666 1 5 . 1 1 5 5 TYR N N 5 121.143 121.143 118.774 2.369 25495 1667 1 5 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.046 0.365 25495 1668 1 5 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.463 -2.324 25495 1669 1 5 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.766 0.022 25495 1670 1 5 . 1 1 5 5 TYR H H 5 7.639 7.639 7.700 -0.061 25495 1671 1 5 . 1 1 6 6 LYS N N 6 120.843 120.843 119.408 1.435 25495 1672 1 5 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.848 0.141 25495 1673 1 5 . 1 1 6 6 LYS CA C 6 59.578 59.578 60.198 -0.620 25495 1674 1 5 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.200 0.119 25495 1675 1 5 . 1 1 6 6 LYS H H 6 7.929 7.929 8.289 -0.360 25495 1676 1 5 . 1 1 7 7 ALA N N 7 120.497 120.497 121.494 -0.997 25495 1677 1 5 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.115 0.029 25495 1678 1 5 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.917 -0.266 25495 1679 1 5 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.027 -0.049 25495 1680 1 5 . 1 1 7 7 ALA H H 7 7.934 7.934 8.340 -0.406 25495 1681 1 5 . 1 1 8 8 ALA N N 8 119.953 119.953 121.739 -1.786 25495 1682 1 5 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.984 0.198 25495 1683 1 5 . 1 1 8 8 ALA CA C 8 54.675 54.675 55.047 -0.372 25495 1684 1 5 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.056 0.417 25495 1685 1 5 . 1 1 8 8 ALA H H 8 7.479 7.479 8.015 -0.536 25495 1686 1 5 . 1 1 9 9 VAL N N 9 119.227 119.227 118.042 1.185 25495 1687 1 5 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.526 0.035 25495 1688 1 5 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.822 -0.574 25495 1689 1 5 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.323 0.741 25495 1690 1 5 . 1 1 9 9 VAL H H 9 8.030 8.030 7.967 0.063 25495 1691 1 5 . 1 1 10 10 GLU N N 10 118.451 118.451 117.183 1.268 25495 1692 1 5 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.994 0.123 25495 1693 1 5 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.605 -0.245 25495 1694 1 5 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.746 -0.197 25495 1695 1 5 . 1 1 10 10 GLU H H 10 7.763 7.763 7.817 -0.054 25495 1696 1 5 . 1 1 11 11 GLN N N 11 114.938 114.938 118.770 -3.832 25495 1697 1 5 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.050 0.256 25495 1698 1 5 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.506 -1.894 25495 1699 1 5 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.108 0.280 25495 1700 1 5 . 1 1 11 11 GLN H H 11 7.405 7.405 7.822 -0.417 25495 1701 1 5 . 1 1 12 12 LEU N N 12 120.828 120.828 120.448 0.380 25495 1702 1 5 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.076 0.455 25495 1703 1 5 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.258 0.062 25495 1704 1 5 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.237 0.889 25495 1705 1 5 . 1 1 12 12 LEU H H 12 7.385 7.385 7.622 -0.237 25495 1706 1 5 . 1 1 13 13 THR N N 13 113.928 113.928 112.892 1.036 25495 1707 1 5 . 1 1 13 13 THR HA H 13 4.445 4.445 4.249 0.196 25495 1708 1 5 . 1 1 13 13 THR CA C 13 60.804 60.804 61.491 -0.687 25495 1709 1 5 . 1 1 13 13 THR CB C 13 71.151 71.151 70.055 1.096 25495 1710 1 5 . 1 1 13 13 THR H H 13 8.930 8.930 7.970 0.960 25495 1711 1 5 . 1 1 14 14 GLU N N 14 121.720 121.720 121.012 0.708 25495 1712 1 5 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.975 0.013 25495 1713 1 5 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.637 -0.679 25495 1714 1 5 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.093 0.182 25495 1715 1 5 . 1 1 14 14 GLU H H 14 9.028 9.028 9.014 0.014 25495 1716 1 5 . 1 1 15 15 GLU N N 15 117.744 117.744 118.798 -1.054 25495 1717 1 5 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.099 -0.036 25495 1718 1 5 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.527 0.808 25495 1719 1 5 . 1 1 15 15 GLU CB C 15 29.160 29.160 28.849 0.311 25495 1720 1 5 . 1 1 15 15 GLU H H 15 8.651 8.651 8.706 -0.055 25495 1721 1 5 . 1 1 16 16 GLN N N 16 119.476 119.476 118.546 0.930 25495 1722 1 5 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.125 -0.313 25495 1723 1 5 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.904 0.205 25495 1724 1 5 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.593 0.798 25495 1725 1 5 . 1 1 16 16 GLN H H 16 7.872 7.872 7.641 0.231 25495 1726 1 5 . 1 1 17 17 LYS N N 17 118.609 118.609 119.572 -0.963 25495 1727 1 5 . 1 1 17 17 LYS HA H 17 4.011 4.011 3.827 0.184 25495 1728 1 5 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.516 2.357 25495 1729 1 5 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.079 0.070 25495 1730 1 5 . 1 1 17 17 LYS H H 17 8.572 8.572 7.917 0.655 25495 1731 1 5 . 1 1 18 18 ASN N N 18 117.908 117.908 118.582 -0.674 25495 1732 1 5 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.509 0.055 25495 1733 1 5 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.261 -0.239 25495 1734 1 5 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.355 -0.471 25495 1735 1 5 . 1 1 18 18 ASN H H 18 8.581 8.581 8.274 0.307 25495 1736 1 5 . 1 1 19 19 GLU N N 19 123.446 123.446 120.502 2.944 25495 1737 1 5 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.109 0.069 25495 1738 1 5 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.465 0.461 25495 1739 1 5 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.628 -0.624 25495 1740 1 5 . 1 1 19 19 GLU H H 19 7.993 7.993 8.115 -0.122 25495 1741 1 5 . 1 1 20 20 PHE N N 20 117.821 117.821 119.431 -1.610 25495 1742 1 5 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.389 0.533 25495 1743 1 5 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.328 -1.484 25495 1744 1 5 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.721 -0.819 25495 1745 1 5 . 1 1 20 20 PHE H H 20 8.528 8.528 8.168 0.360 25495 1746 1 5 . 1 1 21 21 LYS N N 21 122.656 122.656 119.450 3.206 25495 1747 1 5 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.249 -0.220 25495 1748 1 5 . 1 1 21 21 LYS CA C 21 58.695 58.695 60.086 -1.391 25495 1749 1 5 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.326 -0.675 25495 1750 1 5 . 1 1 21 21 LYS H H 21 8.929 8.929 8.509 0.420 25495 1751 1 5 . 1 1 22 22 ALA N N 22 121.479 121.479 122.094 -0.615 25495 1752 1 5 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.205 0.001 25495 1753 1 5 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.063 0.037 25495 1754 1 5 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.347 -0.481 25495 1755 1 5 . 1 1 22 22 ALA H H 22 7.799 7.799 7.900 -0.101 25495 1756 1 5 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.061 0.022 25495 1757 1 5 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.797 0.364 25495 1758 1 5 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.150 0.847 25495 1759 1 5 . 1 1 24 24 PHE N N 24 121.493 121.493 118.937 2.556 25495 1760 1 5 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.545 -0.072 25495 1761 1 5 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.377 1.049 25495 1762 1 5 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.982 0.797 25495 1763 1 5 . 1 1 24 24 PHE H H 24 9.053 9.053 8.063 0.990 25495 1764 1 5 . 1 1 25 25 ASP N N 25 116.518 116.518 118.869 -2.351 25495 1765 1 5 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.345 -0.116 25495 1766 1 5 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.634 -0.609 25495 1767 1 5 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.614 -0.751 25495 1768 1 5 . 1 1 25 25 ASP H H 25 8.512 8.512 8.489 0.023 25495 1769 1 5 . 1 1 26 26 ILE N N 26 119.213 119.213 118.897 0.316 25495 1770 1 5 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.743 0.042 25495 1771 1 5 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.467 -0.779 25495 1772 1 5 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.227 -0.273 25495 1773 1 5 . 1 1 26 26 ILE H H 26 7.221 7.221 7.657 -0.436 25495 1774 1 5 . 1 1 27 27 PHE N N 27 123.265 123.265 119.422 3.843 25495 1775 1 5 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.013 0.725 25495 1776 1 5 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.046 -1.037 25495 1777 1 5 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.525 1.785 25495 1778 1 5 . 1 1 27 27 PHE H H 27 8.287 8.287 8.270 0.017 25495 1779 1 5 . 1 1 28 28 VAL N N 28 106.013 106.013 114.308 -8.295 25495 1780 1 5 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.854 0.119 25495 1781 1 5 . 1 1 28 28 VAL CA C 28 61.298 61.298 62.008 -0.710 25495 1782 1 5 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.236 1.343 25495 1783 1 5 . 1 1 28 28 VAL H H 28 7.544 7.544 7.406 0.138 25495 1784 1 5 . 1 1 29 29 LEU N N 29 125.830 125.830 120.202 5.628 25495 1785 1 5 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.159 -0.083 25495 1786 1 5 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.114 0.402 25495 1787 1 5 . 1 1 29 29 LEU CB C 29 41.577 41.577 41.075 0.501 25495 1788 1 5 . 1 1 29 29 LEU H H 29 7.240 7.240 7.875 -0.635 25495 1789 1 5 . 1 1 30 30 GLY N N 30 112.625 112.625 104.394 8.231 25495 1790 1 5 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.373 1.036 25495 1791 1 5 . 1 1 30 30 GLY H H 30 8.879 8.879 8.029 0.850 25495 1792 1 5 . 1 1 31 31 ALA N N 31 124.424 124.424 123.547 0.877 25495 1793 1 5 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.591 -0.140 25495 1794 1 5 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.351 0.822 25495 1795 1 5 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.589 0.268 25495 1796 1 5 . 1 1 31 31 ALA H H 31 8.077 8.077 7.973 0.104 25495 1797 1 5 . 1 1 32 32 GLU N N 32 125.293 125.293 123.382 1.911 25495 1798 1 5 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.105 -0.019 25495 1799 1 5 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.380 0.729 25495 1800 1 5 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.405 0.421 25495 1801 1 5 . 1 1 32 32 GLU H H 32 9.216 9.216 8.801 0.415 25495 1802 1 5 . 1 1 33 33 ASP N N 33 115.502 115.502 116.868 -1.366 25495 1803 1 5 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.628 0.081 25495 1804 1 5 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.062 -1.070 25495 1805 1 5 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.551 0.527 25495 1806 1 5 . 1 1 33 33 ASP H H 33 8.177 8.177 8.218 -0.041 25495 1807 1 5 . 1 1 34 34 GLY N N 34 105.896 105.896 108.129 -2.233 25495 1808 1 5 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.542 1.096 25495 1809 1 5 . 1 1 34 34 GLY H H 34 7.588 7.588 7.918 -0.330 25495 1810 1 5 . 1 1 35 35 CYS N N 35 114.179 114.179 115.800 -1.621 25495 1811 1 5 . 1 1 35 35 CYS HA H 35 4.989 4.989 5.027 -0.038 25495 1812 1 5 . 1 1 35 35 CYS CA C 35 57.668 57.668 55.845 1.823 25495 1813 1 5 . 1 1 35 35 CYS CB C 35 31.737 31.737 31.175 0.562 25495 1814 1 5 . 1 1 35 35 CYS H H 35 7.438 7.438 7.538 -0.100 25495 1815 1 5 . 1 1 36 36 ILE N N 36 119.578 119.578 121.879 -2.301 25495 1816 1 5 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.410 -0.704 25495 1817 1 5 . 1 1 36 36 ILE CA C 36 62.762 62.762 60.337 2.425 25495 1818 1 5 . 1 1 36 36 ILE CB C 36 39.786 39.786 40.831 -1.045 25495 1819 1 5 . 1 1 36 36 ILE H H 36 8.847 8.847 8.213 0.634 25495 1820 1 5 . 1 1 37 37 SER N N 37 126.282 126.282 120.695 5.587 25495 1821 1 5 . 1 1 37 37 SER HA H 37 5.059 5.059 4.989 0.070 25495 1822 1 5 . 1 1 37 37 SER CA C 37 57.226 57.226 56.186 1.040 25495 1823 1 5 . 1 1 37 37 SER CB C 37 66.983 66.983 65.107 1.876 25495 1824 1 5 . 1 1 37 37 SER H H 37 9.462 9.462 8.768 0.694 25495 1825 1 5 . 1 1 38 38 THR N N 38 112.015 112.015 114.907 -2.892 25495 1826 1 5 . 1 1 38 38 THR HA H 38 3.730 3.730 4.034 -0.304 25495 1827 1 5 . 1 1 38 38 THR CA C 38 66.443 66.443 66.452 -0.009 25495 1828 1 5 . 1 1 38 38 THR CB C 38 67.740 67.740 68.620 -0.880 25495 1829 1 5 . 1 1 38 38 THR H H 38 8.796 8.796 8.809 -0.013 25495 1830 1 5 . 1 1 39 39 LYS N N 39 123.244 123.244 121.575 1.669 25495 1831 1 5 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.110 -0.050 25495 1832 1 5 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.353 0.203 25495 1833 1 5 . 1 1 39 39 LYS CB C 39 32.240 32.240 31.728 0.512 25495 1834 1 5 . 1 1 39 39 LYS H H 39 8.050 8.050 8.367 -0.317 25495 1835 1 5 . 1 1 40 40 GLU N N 40 119.359 119.359 118.913 0.446 25495 1836 1 5 . 1 1 40 40 GLU HA H 40 4.198 4.198 3.990 0.208 25495 1837 1 5 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.084 1.682 25495 1838 1 5 . 1 1 40 40 GLU CB C 40 29.914 29.914 28.996 0.918 25495 1839 1 5 . 1 1 40 40 GLU H H 40 7.750 7.750 8.297 -0.547 25495 1840 1 5 . 1 1 41 41 LEU N N 41 119.256 119.256 120.343 -1.087 25495 1841 1 5 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.031 0.167 25495 1842 1 5 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.614 0.270 25495 1843 1 5 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.138 1.440 25495 1844 1 5 . 1 1 41 41 LEU H H 41 8.349 8.349 8.214 0.135 25495 1845 1 5 . 1 1 42 42 GLY N N 42 106.053 106.053 106.765 -0.712 25495 1846 1 5 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.104 1.036 25495 1847 1 5 . 1 1 42 42 GLY H H 42 8.503 8.503 8.453 0.050 25495 1848 1 5 . 1 1 43 43 LYS N N 43 120.946 120.946 122.079 -1.133 25495 1849 1 5 . 1 1 43 43 LYS HA H 43 4.007 4.007 3.950 0.057 25495 1850 1 5 . 1 1 43 43 LYS CA C 43 59.961 59.961 59.114 0.847 25495 1851 1 5 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.281 0.093 25495 1852 1 5 . 1 1 43 43 LYS H H 43 7.319 7.319 7.425 -0.106 25495 1853 1 5 . 1 1 44 44 VAL N N 44 119.639 119.639 119.835 -0.196 25495 1854 1 5 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.575 0.020 25495 1855 1 5 . 1 1 44 44 VAL CA C 44 66.306 66.306 65.611 0.695 25495 1856 1 5 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.257 0.535 25495 1857 1 5 . 1 1 44 44 VAL H H 44 7.570 7.570 7.467 0.103 25495 1858 1 5 . 1 1 45 45 MET N N 45 116.846 116.846 118.235 -1.389 25495 1859 1 5 . 1 1 45 45 MET HA H 45 4.186 4.186 3.969 0.217 25495 1860 1 5 . 1 1 45 45 MET CA C 45 58.345 58.345 59.368 -1.023 25495 1861 1 5 . 1 1 45 45 MET CB C 45 31.125 31.125 32.059 -0.934 25495 1862 1 5 . 1 1 45 45 MET H H 45 8.438 8.438 8.201 0.237 25495 1863 1 5 . 1 1 46 46 ARG N N 46 118.762 118.762 118.407 0.355 25495 1864 1 5 . 1 1 46 46 ARG HA H 46 4.652 4.652 3.985 0.667 25495 1865 1 5 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.089 0.262 25495 1866 1 5 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.900 0.155 25495 1867 1 5 . 1 1 46 46 ARG H H 46 8.114 8.114 7.555 0.559 25495 1868 1 5 . 1 1 47 47 MET N N 47 122.339 122.339 119.002 3.337 25495 1869 1 5 . 1 1 47 47 MET HA H 47 4.225 4.225 4.186 0.039 25495 1870 1 5 . 1 1 47 47 MET CA C 47 59.117 59.117 58.385 0.733 25495 1871 1 5 . 1 1 47 47 MET CB C 47 32.404 32.404 32.258 0.146 25495 1872 1 5 . 1 1 47 47 MET H H 47 7.889 7.889 7.512 0.377 25495 1873 1 5 . 1 1 48 48 LEU N N 48 117.654 117.654 117.870 -0.216 25495 1874 1 5 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.369 0.039 25495 1875 1 5 . 1 1 48 48 LEU CA C 48 54.657 54.657 54.728 -0.071 25495 1876 1 5 . 1 1 48 48 LEU CB C 48 41.779 41.779 41.968 -0.189 25495 1877 1 5 . 1 1 48 48 LEU H H 48 7.516 7.516 7.545 -0.029 25495 1878 1 5 . 1 1 49 49 GLY N N 49 107.494 107.494 106.779 0.715 25495 1879 1 5 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.889 1.010 25495 1880 1 5 . 1 1 49 49 GLY H H 49 7.875 7.875 7.577 0.298 25495 1881 1 5 . 1 1 50 50 GLN N N 50 118.165 118.165 119.494 -1.329 25495 1882 1 5 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.559 -0.055 25495 1883 1 5 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.280 -0.218 25495 1884 1 5 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.627 -0.531 25495 1885 1 5 . 1 1 50 50 GLN H H 50 8.025 8.025 8.068 -0.043 25495 1886 1 5 . 1 1 51 51 ASN N N 51 116.752 116.752 120.471 -3.719 25495 1887 1 5 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.003 0.152 25495 1888 1 5 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.881 0.303 25495 1889 1 5 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.640 -0.388 25495 1890 1 5 . 1 1 51 51 ASN H H 51 8.706 8.706 8.555 0.151 25495 1891 1 5 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.700 0.071 25495 1892 1 5 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.604 -0.381 25495 1893 1 5 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.273 -0.257 25495 1894 1 5 . 1 1 53 53 THR N N 53 114.441 114.441 109.239 5.202 25495 1895 1 5 . 1 1 53 53 THR HA H 53 4.623 4.623 4.728 -0.105 25495 1896 1 5 . 1 1 53 53 THR CA C 53 60.314 60.314 58.540 1.774 25495 1897 1 5 . 1 1 53 53 THR CB C 53 68.422 68.422 69.208 -0.786 25495 1898 1 5 . 1 1 53 53 THR H H 53 8.899 8.899 7.888 1.011 25495 1899 1 5 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.181 0.000 25495 1900 1 5 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.624 0.563 25495 1901 1 5 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.693 0.075 25495 1902 1 5 . 1 1 55 55 GLU N N 55 117.303 117.303 117.082 0.221 25495 1903 1 5 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.032 -0.007 25495 1904 1 5 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.941 0.569 25495 1905 1 5 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.090 -0.324 25495 1906 1 5 . 1 1 55 55 GLU H H 55 8.751 8.751 9.039 -0.288 25495 1907 1 5 . 1 1 56 56 GLU N N 56 121.627 121.627 120.281 1.346 25495 1908 1 5 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.108 -0.111 25495 1909 1 5 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.980 0.220 25495 1910 1 5 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.664 0.385 25495 1911 1 5 . 1 1 56 56 GLU H H 56 7.813 7.813 7.608 0.205 25495 1912 1 5 . 1 1 57 57 LEU N N 57 118.921 118.921 119.741 -0.820 25495 1913 1 5 . 1 1 57 57 LEU HA H 57 4.032 4.032 3.940 0.092 25495 1914 1 5 . 1 1 57 57 LEU CA C 57 57.774 57.774 58.086 -0.312 25495 1915 1 5 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.751 0.897 25495 1916 1 5 . 1 1 57 57 LEU H H 57 8.143 8.143 7.611 0.532 25495 1917 1 5 . 1 1 58 58 GLN N N 58 117.966 117.966 118.937 -0.971 25495 1918 1 5 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.980 -0.274 25495 1919 1 5 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.719 -0.482 25495 1920 1 5 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.328 0.154 25495 1921 1 5 . 1 1 58 58 GLN H H 58 8.001 8.001 8.350 -0.349 25495 1922 1 5 . 1 1 59 59 GLU N N 59 119.177 119.177 120.266 -1.089 25495 1923 1 5 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.183 -0.142 25495 1924 1 5 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.084 0.554 25495 1925 1 5 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.500 -0.070 25495 1926 1 5 . 1 1 59 59 GLU H H 59 7.935 7.935 8.074 -0.139 25495 1927 1 5 . 1 1 60 60 MET N N 60 117.654 117.654 119.130 -1.476 25495 1928 1 5 . 1 1 60 60 MET HA H 60 3.936 3.936 4.178 -0.242 25495 1929 1 5 . 1 1 60 60 MET CA C 60 59.488 59.488 58.142 1.346 25495 1930 1 5 . 1 1 60 60 MET CB C 60 33.570 33.570 32.185 1.385 25495 1931 1 5 . 1 1 60 60 MET H H 60 7.640 7.640 8.172 -0.532 25495 1932 1 5 . 1 1 61 61 ILE N N 61 118.132 118.132 119.708 -1.576 25495 1933 1 5 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.622 -0.267 25495 1934 1 5 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.364 -0.973 25495 1935 1 5 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.536 -0.097 25495 1936 1 5 . 1 1 61 61 ILE H H 61 7.334 7.334 7.815 -0.481 25495 1937 1 5 . 1 1 62 62 ASP N N 62 119.480 119.480 120.051 -0.571 25495 1938 1 5 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.351 -0.077 25495 1939 1 5 . 1 1 62 62 ASP CA C 62 57.424 57.424 56.894 0.530 25495 1940 1 5 . 1 1 62 62 ASP CB C 62 40.307 40.307 39.916 0.391 25495 1941 1 5 . 1 1 62 62 ASP H H 62 8.754 8.754 7.955 0.799 25495 1942 1 5 . 1 1 63 63 GLU N N 63 116.032 116.032 117.994 -1.962 25495 1943 1 5 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.110 -0.079 25495 1944 1 5 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.560 0.258 25495 1945 1 5 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.876 0.583 25495 1946 1 5 . 1 1 63 63 GLU H H 63 7.588 7.588 8.016 -0.428 25495 1947 1 5 . 1 1 64 64 VAL N N 64 107.386 107.386 116.797 -9.411 25495 1948 1 5 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.046 0.480 25495 1949 1 5 . 1 1 64 64 VAL CA C 64 60.594 60.594 62.608 -2.014 25495 1950 1 5 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.524 -0.163 25495 1951 1 5 . 1 1 64 64 VAL H H 64 7.222 7.222 7.293 -0.071 25495 1952 1 5 . 1 1 65 65 ASP N N 65 121.993 121.993 120.131 1.862 25495 1953 1 5 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.631 0.029 25495 1954 1 5 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.713 -0.243 25495 1955 1 5 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.108 -0.711 25495 1956 1 5 . 1 1 65 65 ASP H H 65 7.576 7.576 8.195 -0.619 25495 1957 1 5 . 1 1 66 66 GLU N N 66 128.234 128.234 125.951 2.283 25495 1958 1 5 . 1 1 66 66 GLU HA H 66 4.180 4.180 3.987 0.193 25495 1959 1 5 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.648 -0.177 25495 1960 1 5 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.948 0.923 25495 1961 1 5 . 1 1 66 66 GLU H H 66 8.586 8.586 8.553 0.033 25495 1962 1 5 . 1 1 67 67 ASP N N 67 114.535 114.535 114.942 -0.407 25495 1963 1 5 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.497 0.225 25495 1964 1 5 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.864 -1.436 25495 1965 1 5 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.577 -0.240 25495 1966 1 5 . 1 1 67 67 ASP H H 67 7.969 7.969 7.995 -0.026 25495 1967 1 5 . 1 1 68 68 GLY N N 68 108.961 108.961 107.640 1.321 25495 1968 1 5 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.878 1.300 25495 1969 1 5 . 1 1 68 68 GLY H H 68 7.766 7.766 7.663 0.103 25495 1970 1 5 . 1 1 69 69 SER N N 69 116.683 116.683 116.295 0.388 25495 1971 1 5 . 1 1 69 69 SER HA H 69 4.234 4.234 4.172 0.062 25495 1972 1 5 . 1 1 69 69 SER CA C 69 60.271 60.271 59.904 0.367 25495 1973 1 5 . 1 1 69 69 SER CB C 69 64.864 64.864 63.957 0.907 25495 1974 1 5 . 1 1 69 69 SER H H 69 8.469 8.469 9.164 -0.695 25495 1975 1 5 . 1 1 70 70 GLY N N 70 116.564 116.564 111.819 4.745 25495 1976 1 5 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.470 0.224 25495 1977 1 5 . 1 1 70 70 GLY H H 70 10.834 10.834 8.656 2.178 25495 1978 1 5 . 1 1 71 71 THR N N 71 107.543 107.543 111.183 -3.640 25495 1979 1 5 . 1 1 71 71 THR HA H 71 4.891 4.891 5.220 -0.329 25495 1980 1 5 . 1 1 71 71 THR CA C 71 58.480 58.480 59.721 -1.241 25495 1981 1 5 . 1 1 71 71 THR CB C 71 73.920 73.920 72.704 1.216 25495 1982 1 5 . 1 1 71 71 THR H H 71 7.651 7.651 7.428 0.223 25495 1983 1 5 . 1 1 72 72 VAL N N 72 126.890 126.890 122.794 4.096 25495 1984 1 5 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.700 0.368 25495 1985 1 5 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.101 0.590 25495 1986 1 5 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.946 0.024 25495 1987 1 5 . 1 1 72 72 VAL H H 72 9.698 9.698 9.051 0.647 25495 1988 1 5 . 1 1 73 73 ASP N N 73 129.120 129.120 127.272 1.848 25495 1989 1 5 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.047 0.107 25495 1990 1 5 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.524 -0.076 25495 1991 1 5 . 1 1 73 73 ASP CB C 73 41.552 41.552 42.892 -1.340 25495 1992 1 5 . 1 1 73 73 ASP H H 73 8.807 8.807 8.705 0.102 25495 1993 1 5 . 1 1 74 74 PHE N N 74 118.110 118.110 119.883 -1.773 25495 1994 1 5 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.846 -0.513 25495 1995 1 5 . 1 1 74 74 PHE CA C 74 61.653 61.653 63.344 -1.691 25495 1996 1 5 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.810 -0.270 25495 1997 1 5 . 1 1 74 74 PHE H H 74 8.511 8.511 8.803 -0.292 25495 1998 1 5 . 1 1 75 75 ASP N N 75 117.145 117.145 119.042 -1.897 25495 1999 1 5 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.461 -0.480 25495 2000 1 5 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.499 -0.495 25495 2001 1 5 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.867 0.475 25495 2002 1 5 . 1 1 75 75 ASP H H 75 7.601 7.601 8.827 -1.226 25495 2003 1 5 . 1 1 76 76 GLU N N 76 120.605 120.605 120.060 0.545 25495 2004 1 5 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.049 0.001 25495 2005 1 5 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.298 -0.968 25495 2006 1 5 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.435 0.660 25495 2007 1 5 . 1 1 76 76 GLU H H 76 8.235 8.235 8.534 -0.299 25495 2008 1 5 . 1 1 77 77 PHE N N 77 123.122 123.122 121.921 1.201 25495 2009 1 5 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.211 -0.236 25495 2010 1 5 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.695 -0.187 25495 2011 1 5 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.933 0.630 25495 2012 1 5 . 1 1 77 77 PHE H H 77 8.983 8.983 8.708 0.275 25495 2013 1 5 . 1 1 78 78 LEU N N 78 118.537 118.537 119.702 -1.165 25495 2014 1 5 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.491 -0.202 25495 2015 1 5 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.226 -0.117 25495 2016 1 5 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.347 0.133 25495 2017 1 5 . 1 1 78 78 LEU H H 78 7.842 7.842 8.069 -0.227 25495 2018 1 5 . 1 1 79 79 VAL N N 79 117.650 117.650 119.008 -1.358 25495 2019 1 5 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.569 -0.298 25495 2020 1 5 . 1 1 79 79 VAL CA C 79 66.435 66.435 67.308 -0.873 25495 2021 1 5 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.564 -0.550 25495 2022 1 5 . 1 1 79 79 VAL H H 79 6.834 6.834 8.049 -1.215 25495 2023 1 5 . 1 1 80 80 MET N N 80 120.117 120.117 120.069 0.048 25495 2024 1 5 . 1 1 80 80 MET HA H 80 3.550 3.550 4.122 -0.572 25495 2025 1 5 . 1 1 80 80 MET CA C 80 59.506 59.506 58.661 0.845 25495 2026 1 5 . 1 1 80 80 MET CB C 80 34.002 34.002 32.308 1.694 25495 2027 1 5 . 1 1 80 80 MET H H 80 7.990 7.990 8.515 -0.525 25495 2028 1 5 . 1 1 81 81 MET N N 81 116.622 116.622 119.612 -2.990 25495 2029 1 5 . 1 1 81 81 MET HA H 81 4.074 4.074 4.207 -0.133 25495 2030 1 5 . 1 1 81 81 MET CA C 81 56.657 56.657 58.571 -1.913 25495 2031 1 5 . 1 1 81 81 MET CB C 81 32.334 32.334 31.869 0.465 25495 2032 1 5 . 1 1 81 81 MET H H 81 8.148 8.148 7.796 0.352 25495 2033 1 5 . 1 1 82 82 VAL N N 82 117.651 117.651 119.619 -1.968 25495 2034 1 5 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.712 0.222 25495 2035 1 5 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.674 -0.497 25495 2036 1 5 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.100 0.143 25495 2037 1 5 . 1 1 82 82 VAL H H 82 8.082 8.082 8.092 -0.010 25495 2038 1 5 . 1 1 83 83 ARG N N 83 120.226 120.226 121.590 -1.364 25495 2039 1 5 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.262 -0.441 25495 2040 1 5 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.698 -0.108 25495 2041 1 5 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.328 -0.346 25495 2042 1 5 . 1 1 83 83 ARG H H 83 8.086 8.086 8.871 -0.785 25495 2043 1 5 . 1 1 84 84 CYS N N 84 115.892 115.892 115.792 0.100 25495 2044 1 5 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.252 0.182 25495 2045 1 5 . 1 1 84 84 CYS CA C 84 61.537 61.537 61.397 0.140 25495 2046 1 5 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.641 -0.201 25495 2047 1 5 . 1 1 84 84 CYS H H 84 7.754 7.754 8.328 -0.574 25495 2048 1 5 . 1 1 85 85 MET HA H 85 4.416 4.416 4.322 0.094 25495 2049 1 5 . 1 1 85 85 MET CA C 85 57.720 57.720 57.143 0.577 25495 2050 1 5 . 1 1 85 85 MET CB C 85 34.275 34.275 32.818 1.457 25495 2051 1 5 . 1 1 86 86 LYS N N 86 119.961 119.961 118.729 1.232 25495 2052 1 5 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.037 0.311 25495 2053 1 5 . 1 1 86 86 LYS CA C 86 56.728 56.728 58.019 -1.291 25495 2054 1 5 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.192 0.177 25495 2055 1 5 . 1 1 86 86 LYS H H 86 7.886 7.886 8.164 -0.278 25495 2056 1 5 . 1 1 87 87 ASP N N 87 121.700 121.700 118.256 3.444 25495 2057 1 5 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.416 0.305 25495 2058 1 5 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.583 -1.001 25495 2059 1 5 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.087 0.215 25495 2060 1 5 . 1 1 87 87 ASP H H 87 8.219 8.219 8.250 -0.031 25495 2061 1 5 . 1 1 88 88 ASP N N 88 121.739 121.739 121.698 0.041 25495 2062 1 5 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.914 -0.182 25495 2063 1 5 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.675 0.579 25495 2064 1 5 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.701 1.647 25495 2065 1 5 . 1 1 88 88 ASP H H 88 8.256 8.256 8.648 -0.392 25495 2066 1 6 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.992 -0.336 25495 2067 1 6 . 1 1 2 2 ASP CA C 2 54.796 54.796 53.530 1.266 25495 2068 1 6 . 1 1 2 2 ASP CB C 2 41.624 41.624 41.240 0.384 25495 2069 1 6 . 1 1 3 3 ASP N N 3 122.846 122.846 121.242 1.604 25495 2070 1 6 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.453 0.036 25495 2071 1 6 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.866 -1.041 25495 2072 1 6 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.510 0.911 25495 2073 1 6 . 1 1 3 3 ASP H H 3 8.509 8.509 8.740 -0.231 25495 2074 1 6 . 1 1 4 4 ILE N N 4 119.356 119.356 118.673 0.683 25495 2075 1 6 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.759 0.157 25495 2076 1 6 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.811 -0.116 25495 2077 1 6 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.072 0.784 25495 2078 1 6 . 1 1 4 4 ILE H H 4 8.227 8.227 8.060 0.167 25495 2079 1 6 . 1 1 5 5 TYR N N 5 121.143 121.143 119.082 2.061 25495 2080 1 6 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.085 0.326 25495 2081 1 6 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.249 -2.110 25495 2082 1 6 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.777 0.011 25495 2083 1 6 . 1 1 5 5 TYR H H 5 7.639 7.639 7.986 -0.347 25495 2084 1 6 . 1 1 6 6 LYS N N 6 120.843 120.843 120.102 0.741 25495 2085 1 6 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.825 0.164 25495 2086 1 6 . 1 1 6 6 LYS CA C 6 59.578 59.578 60.530 -0.952 25495 2087 1 6 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.223 0.096 25495 2088 1 6 . 1 1 6 6 LYS H H 6 7.929 7.929 8.639 -0.710 25495 2089 1 6 . 1 1 7 7 ALA N N 7 120.497 120.497 121.121 -0.624 25495 2090 1 6 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.065 0.079 25495 2091 1 6 . 1 1 7 7 ALA CA C 7 54.651 54.651 55.005 -0.354 25495 2092 1 6 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.240 -0.262 25495 2093 1 6 . 1 1 7 7 ALA H H 7 7.934 7.934 7.825 0.109 25495 2094 1 6 . 1 1 8 8 ALA N N 8 119.953 119.953 121.539 -1.586 25495 2095 1 6 . 1 1 8 8 ALA HA H 8 4.182 4.182 4.012 0.170 25495 2096 1 6 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.907 -0.232 25495 2097 1 6 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.294 0.179 25495 2098 1 6 . 1 1 8 8 ALA H H 8 7.479 7.479 7.774 -0.295 25495 2099 1 6 . 1 1 9 9 VAL N N 9 119.227 119.227 118.723 0.504 25495 2100 1 6 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.460 0.101 25495 2101 1 6 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.866 -0.618 25495 2102 1 6 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.854 0.210 25495 2103 1 6 . 1 1 9 9 VAL H H 9 8.030 8.030 8.474 -0.444 25495 2104 1 6 . 1 1 10 10 GLU N N 10 118.451 118.451 118.785 -0.334 25495 2105 1 6 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.926 0.191 25495 2106 1 6 . 1 1 10 10 GLU CA C 10 58.360 58.360 59.325 -0.965 25495 2107 1 6 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.492 0.057 25495 2108 1 6 . 1 1 10 10 GLU H H 10 7.763 7.763 8.522 -0.759 25495 2109 1 6 . 1 1 11 11 GLN N N 11 114.938 114.938 118.409 -3.471 25495 2110 1 6 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.060 0.246 25495 2111 1 6 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.261 -1.649 25495 2112 1 6 . 1 1 11 11 GLN CB C 11 29.388 29.388 28.731 0.657 25495 2113 1 6 . 1 1 11 11 GLN H H 11 7.405 7.405 7.706 -0.301 25495 2114 1 6 . 1 1 12 12 LEU N N 12 120.828 120.828 118.001 2.827 25495 2115 1 6 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.065 0.466 25495 2116 1 6 . 1 1 12 12 LEU CA C 12 55.320 55.320 56.324 -1.004 25495 2117 1 6 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.128 0.998 25495 2118 1 6 . 1 1 12 12 LEU H H 12 7.385 7.385 7.346 0.039 25495 2119 1 6 . 1 1 13 13 THR N N 13 113.928 113.928 112.643 1.285 25495 2120 1 6 . 1 1 13 13 THR HA H 13 4.445 4.445 4.588 -0.143 25495 2121 1 6 . 1 1 13 13 THR CA C 13 60.804 60.804 60.262 0.542 25495 2122 1 6 . 1 1 13 13 THR CB C 13 71.151 71.151 70.701 0.450 25495 2123 1 6 . 1 1 13 13 THR H H 13 8.930 8.930 8.678 0.252 25495 2124 1 6 . 1 1 14 14 GLU N N 14 121.720 121.720 121.676 0.044 25495 2125 1 6 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.949 0.039 25495 2126 1 6 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.541 -0.583 25495 2127 1 6 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.238 0.038 25495 2128 1 6 . 1 1 14 14 GLU H H 14 9.028 9.028 8.892 0.136 25495 2129 1 6 . 1 1 15 15 GLU N N 15 117.744 117.744 118.270 -0.526 25495 2130 1 6 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.071 -0.008 25495 2131 1 6 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.038 1.298 25495 2132 1 6 . 1 1 15 15 GLU CB C 15 29.160 29.160 28.902 0.258 25495 2133 1 6 . 1 1 15 15 GLU H H 15 8.651 8.651 8.587 0.064 25495 2134 1 6 . 1 1 16 16 GLN N N 16 119.476 119.476 119.817 -0.341 25495 2135 1 6 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.021 -0.209 25495 2136 1 6 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.642 0.467 25495 2137 1 6 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.492 0.899 25495 2138 1 6 . 1 1 16 16 GLN H H 16 7.872 7.872 7.695 0.177 25495 2139 1 6 . 1 1 17 17 LYS N N 17 118.609 118.609 119.595 -0.986 25495 2140 1 6 . 1 1 17 17 LYS HA H 17 4.011 4.011 3.823 0.188 25495 2141 1 6 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.551 2.322 25495 2142 1 6 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.098 0.051 25495 2143 1 6 . 1 1 17 17 LYS H H 17 8.572 8.572 8.191 0.381 25495 2144 1 6 . 1 1 18 18 ASN N N 18 117.908 117.908 118.914 -1.006 25495 2145 1 6 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.461 0.103 25495 2146 1 6 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.198 -0.176 25495 2147 1 6 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.457 -0.573 25495 2148 1 6 . 1 1 18 18 ASN H H 18 8.581 8.581 8.263 0.318 25495 2149 1 6 . 1 1 19 19 GLU N N 19 123.446 123.446 120.347 3.099 25495 2150 1 6 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.211 -0.033 25495 2151 1 6 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.259 0.667 25495 2152 1 6 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.418 -0.414 25495 2153 1 6 . 1 1 19 19 GLU H H 19 7.993 7.993 7.984 0.009 25495 2154 1 6 . 1 1 20 20 PHE N N 20 117.821 117.821 119.795 -1.974 25495 2155 1 6 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.483 0.439 25495 2156 1 6 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.483 -0.639 25495 2157 1 6 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.686 -0.784 25495 2158 1 6 . 1 1 20 20 PHE H H 20 8.528 8.528 8.341 0.187 25495 2159 1 6 . 1 1 21 21 LYS N N 21 122.656 122.656 120.407 2.249 25495 2160 1 6 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.242 -0.213 25495 2161 1 6 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.889 -1.194 25495 2162 1 6 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.572 -0.920 25495 2163 1 6 . 1 1 21 21 LYS H H 21 8.929 8.929 8.577 0.352 25495 2164 1 6 . 1 1 22 22 ALA N N 22 121.479 121.479 121.136 0.343 25495 2165 1 6 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.198 0.008 25495 2166 1 6 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.053 0.047 25495 2167 1 6 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.142 -0.276 25495 2168 1 6 . 1 1 22 22 ALA H H 22 7.799 7.799 7.749 0.050 25495 2169 1 6 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.086 -0.003 25495 2170 1 6 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.882 0.279 25495 2171 1 6 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.262 0.734 25495 2172 1 6 . 1 1 24 24 PHE N N 24 121.493 121.493 119.389 2.104 25495 2173 1 6 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.632 -0.159 25495 2174 1 6 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.438 0.988 25495 2175 1 6 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.937 0.842 25495 2176 1 6 . 1 1 24 24 PHE H H 24 9.053 9.053 7.900 1.153 25495 2177 1 6 . 1 1 25 25 ASP N N 25 116.518 116.518 119.585 -3.067 25495 2178 1 6 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.300 -0.071 25495 2179 1 6 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.047 -0.022 25495 2180 1 6 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.865 -1.002 25495 2181 1 6 . 1 1 25 25 ASP H H 25 8.512 8.512 7.944 0.568 25495 2182 1 6 . 1 1 26 26 ILE N N 26 119.213 119.213 118.960 0.253 25495 2183 1 6 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.658 0.127 25495 2184 1 6 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.462 -0.774 25495 2185 1 6 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.041 -0.087 25495 2186 1 6 . 1 1 26 26 ILE H H 26 7.221 7.221 7.568 -0.347 25495 2187 1 6 . 1 1 27 27 PHE N N 27 123.265 123.265 120.124 3.141 25495 2188 1 6 . 1 1 27 27 PHE HA H 27 4.738 4.738 3.992 0.746 25495 2189 1 6 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.378 -1.369 25495 2190 1 6 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.960 1.350 25495 2191 1 6 . 1 1 27 27 PHE H H 27 8.287 8.287 8.162 0.125 25495 2192 1 6 . 1 1 28 28 VAL N N 28 106.013 106.013 113.753 -7.740 25495 2193 1 6 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.065 -0.092 25495 2194 1 6 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.778 -0.479 25495 2195 1 6 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.329 1.250 25495 2196 1 6 . 1 1 28 28 VAL H H 28 7.544 7.544 7.351 0.193 25495 2197 1 6 . 1 1 29 29 LEU N N 29 125.830 125.830 120.736 5.094 25495 2198 1 6 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.124 -0.048 25495 2199 1 6 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.319 0.197 25495 2200 1 6 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.863 0.714 25495 2201 1 6 . 1 1 29 29 LEU H H 29 7.240 7.240 8.114 -0.874 25495 2202 1 6 . 1 1 30 30 GLY N N 30 112.625 112.625 104.101 8.524 25495 2203 1 6 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.277 1.132 25495 2204 1 6 . 1 1 30 30 GLY H H 30 8.879 8.879 8.214 0.665 25495 2205 1 6 . 1 1 31 31 ALA N N 31 124.424 124.424 123.467 0.957 25495 2206 1 6 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.553 -0.102 25495 2207 1 6 . 1 1 31 31 ALA CA C 31 52.173 52.173 50.915 1.258 25495 2208 1 6 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.500 0.357 25495 2209 1 6 . 1 1 31 31 ALA H H 31 8.077 8.077 8.066 0.011 25495 2210 1 6 . 1 1 32 32 GLU N N 32 125.293 125.293 124.197 1.096 25495 2211 1 6 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.087 -0.001 25495 2212 1 6 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.532 0.576 25495 2213 1 6 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.579 0.247 25495 2214 1 6 . 1 1 32 32 GLU H H 32 9.216 9.216 8.861 0.355 25495 2215 1 6 . 1 1 33 33 ASP N N 33 115.502 115.502 117.237 -1.735 25495 2216 1 6 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.585 0.124 25495 2217 1 6 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.336 -1.344 25495 2218 1 6 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.587 0.491 25495 2219 1 6 . 1 1 33 33 ASP H H 33 8.177 8.177 8.092 0.085 25495 2220 1 6 . 1 1 34 34 GLY N N 34 105.896 105.896 106.987 -1.091 25495 2221 1 6 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.604 1.034 25495 2222 1 6 . 1 1 34 34 GLY H H 34 7.588 7.588 7.846 -0.258 25495 2223 1 6 . 1 1 35 35 CYS N N 35 114.179 114.179 118.015 -3.836 25495 2224 1 6 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.698 0.291 25495 2225 1 6 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.685 -0.017 25495 2226 1 6 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.565 1.172 25495 2227 1 6 . 1 1 35 35 CYS H H 35 7.438 7.438 7.407 0.031 25495 2228 1 6 . 1 1 36 36 ILE N N 36 119.578 119.578 124.248 -4.670 25495 2229 1 6 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.047 -0.341 25495 2230 1 6 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.492 1.270 25495 2231 1 6 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.484 1.302 25495 2232 1 6 . 1 1 36 36 ILE H H 36 8.847 8.847 8.308 0.539 25495 2233 1 6 . 1 1 37 37 SER N N 37 126.282 126.282 121.128 5.154 25495 2234 1 6 . 1 1 37 37 SER HA H 37 5.059 5.059 5.132 -0.073 25495 2235 1 6 . 1 1 37 37 SER CA C 37 57.226 57.226 55.838 1.388 25495 2236 1 6 . 1 1 37 37 SER CB C 37 66.983 66.983 65.355 1.628 25495 2237 1 6 . 1 1 37 37 SER H H 37 9.462 9.462 8.587 0.875 25495 2238 1 6 . 1 1 38 38 THR N N 38 112.015 112.015 116.330 -4.315 25495 2239 1 6 . 1 1 38 38 THR HA H 38 3.730 3.730 4.031 -0.301 25495 2240 1 6 . 1 1 38 38 THR CA C 38 66.443 66.443 65.844 0.599 25495 2241 1 6 . 1 1 38 38 THR CB C 38 67.740 67.740 68.454 -0.714 25495 2242 1 6 . 1 1 38 38 THR H H 38 8.796 8.796 8.799 -0.003 25495 2243 1 6 . 1 1 39 39 LYS N N 39 123.244 123.244 122.256 0.988 25495 2244 1 6 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.040 0.020 25495 2245 1 6 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.845 -0.288 25495 2246 1 6 . 1 1 39 39 LYS CB C 39 32.240 32.240 31.529 0.711 25495 2247 1 6 . 1 1 39 39 LYS H H 39 8.050 8.050 8.374 -0.324 25495 2248 1 6 . 1 1 40 40 GLU N N 40 119.359 119.359 119.012 0.347 25495 2249 1 6 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.139 0.059 25495 2250 1 6 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.005 1.761 25495 2251 1 6 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.019 0.895 25495 2252 1 6 . 1 1 40 40 GLU H H 40 7.750 7.750 7.776 -0.026 25495 2253 1 6 . 1 1 41 41 LEU N N 41 119.256 119.256 120.442 -1.186 25495 2254 1 6 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.257 -0.059 25495 2255 1 6 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.955 -0.071 25495 2256 1 6 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.792 0.786 25495 2257 1 6 . 1 1 41 41 LEU H H 41 8.349 8.349 8.240 0.109 25495 2258 1 6 . 1 1 42 42 GLY N N 42 106.053 106.053 107.309 -1.256 25495 2259 1 6 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.387 0.753 25495 2260 1 6 . 1 1 42 42 GLY H H 42 8.503 8.503 8.712 -0.209 25495 2261 1 6 . 1 1 43 43 LYS N N 43 120.946 120.946 122.291 -1.345 25495 2262 1 6 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.051 -0.044 25495 2263 1 6 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.906 1.055 25495 2264 1 6 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.207 0.167 25495 2265 1 6 . 1 1 43 43 LYS H H 43 7.319 7.319 7.612 -0.293 25495 2266 1 6 . 1 1 44 44 VAL N N 44 119.639 119.639 120.972 -1.333 25495 2267 1 6 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.536 0.059 25495 2268 1 6 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.922 -0.616 25495 2269 1 6 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.682 0.110 25495 2270 1 6 . 1 1 44 44 VAL H H 44 7.570 7.570 7.701 -0.131 25495 2271 1 6 . 1 1 45 45 MET N N 45 116.846 116.846 117.448 -0.602 25495 2272 1 6 . 1 1 45 45 MET HA H 45 4.186 4.186 4.112 0.074 25495 2273 1 6 . 1 1 45 45 MET CA C 45 58.345 58.345 57.777 0.568 25495 2274 1 6 . 1 1 45 45 MET CB C 45 31.125 31.125 31.402 -0.277 25495 2275 1 6 . 1 1 45 45 MET H H 45 8.438 8.438 8.332 0.106 25495 2276 1 6 . 1 1 46 46 ARG N N 46 118.762 118.762 120.541 -1.779 25495 2277 1 6 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.261 0.391 25495 2278 1 6 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.244 0.107 25495 2279 1 6 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.161 -0.106 25495 2280 1 6 . 1 1 46 46 ARG H H 46 8.114 8.114 7.919 0.195 25495 2281 1 6 . 1 1 47 47 MET N N 47 122.339 122.339 120.358 1.981 25495 2282 1 6 . 1 1 47 47 MET HA H 47 4.225 4.225 4.158 0.067 25495 2283 1 6 . 1 1 47 47 MET CA C 47 59.117 59.117 58.580 0.537 25495 2284 1 6 . 1 1 47 47 MET CB C 47 32.404 32.404 32.585 -0.181 25495 2285 1 6 . 1 1 47 47 MET H H 47 7.889 7.889 7.785 0.104 25495 2286 1 6 . 1 1 48 48 LEU N N 48 117.654 117.654 117.074 0.580 25495 2287 1 6 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.175 0.233 25495 2288 1 6 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.512 -0.855 25495 2289 1 6 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.214 -0.435 25495 2290 1 6 . 1 1 48 48 LEU H H 48 7.516 7.516 7.735 -0.219 25495 2291 1 6 . 1 1 49 49 GLY N N 49 107.494 107.494 105.197 2.297 25495 2292 1 6 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.612 1.287 25495 2293 1 6 . 1 1 49 49 GLY H H 49 7.875 7.875 7.682 0.193 25495 2294 1 6 . 1 1 50 50 GLN N N 50 118.165 118.165 119.956 -1.791 25495 2295 1 6 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.525 -0.021 25495 2296 1 6 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.220 -0.158 25495 2297 1 6 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.569 0.527 25495 2298 1 6 . 1 1 50 50 GLN H H 50 8.025 8.025 7.841 0.184 25495 2299 1 6 . 1 1 51 51 ASN N N 51 116.752 116.752 120.155 -3.403 25495 2300 1 6 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.016 0.140 25495 2301 1 6 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.319 0.865 25495 2302 1 6 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.221 0.031 25495 2303 1 6 . 1 1 51 51 ASN H H 51 8.706 8.706 8.609 0.097 25495 2304 1 6 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.729 0.042 25495 2305 1 6 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.704 -0.481 25495 2306 1 6 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.163 -0.147 25495 2307 1 6 . 1 1 53 53 THR N N 53 114.441 114.441 110.780 3.661 25495 2308 1 6 . 1 1 53 53 THR HA H 53 4.623 4.623 4.694 -0.071 25495 2309 1 6 . 1 1 53 53 THR CA C 53 60.314 60.314 59.352 0.962 25495 2310 1 6 . 1 1 53 53 THR CB C 53 68.422 68.422 68.451 -0.029 25495 2311 1 6 . 1 1 53 53 THR H H 53 8.899 8.899 7.923 0.976 25495 2312 1 6 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.267 -0.086 25495 2313 1 6 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.325 0.862 25495 2314 1 6 . 1 1 54 54 PRO CB C 54 31.768 31.768 32.000 -0.232 25495 2315 1 6 . 1 1 55 55 GLU N N 55 117.303 117.303 118.724 -1.421 25495 2316 1 6 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.033 -0.008 25495 2317 1 6 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.625 0.885 25495 2318 1 6 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.252 -0.486 25495 2319 1 6 . 1 1 55 55 GLU H H 55 8.751 8.751 8.891 -0.140 25495 2320 1 6 . 1 1 56 56 GLU N N 56 121.627 121.627 119.271 2.356 25495 2321 1 6 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.320 -0.323 25495 2322 1 6 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.625 0.575 25495 2323 1 6 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.290 0.759 25495 2324 1 6 . 1 1 56 56 GLU H H 56 7.813 7.813 7.658 0.155 25495 2325 1 6 . 1 1 57 57 LEU N N 57 118.921 118.921 120.458 -1.537 25495 2326 1 6 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.003 0.029 25495 2327 1 6 . 1 1 57 57 LEU CA C 57 57.774 57.774 58.448 -0.674 25495 2328 1 6 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.667 0.981 25495 2329 1 6 . 1 1 57 57 LEU H H 57 8.143 8.143 7.484 0.659 25495 2330 1 6 . 1 1 58 58 GLN N N 58 117.966 117.966 119.037 -1.071 25495 2331 1 6 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.901 -0.195 25495 2332 1 6 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.312 -1.075 25495 2333 1 6 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.619 -0.136 25495 2334 1 6 . 1 1 58 58 GLN H H 58 8.001 8.001 7.955 0.046 25495 2335 1 6 . 1 1 59 59 GLU N N 59 119.177 119.177 119.980 -0.803 25495 2336 1 6 . 1 1 59 59 GLU HA H 59 4.041 4.041 3.973 0.068 25495 2337 1 6 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.499 0.139 25495 2338 1 6 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.550 -0.121 25495 2339 1 6 . 1 1 59 59 GLU H H 59 7.935 7.935 8.039 -0.104 25495 2340 1 6 . 1 1 60 60 MET N N 60 117.654 117.654 119.623 -1.969 25495 2341 1 6 . 1 1 60 60 MET HA H 60 3.936 3.936 4.166 -0.230 25495 2342 1 6 . 1 1 60 60 MET CA C 60 59.488 59.488 58.143 1.345 25495 2343 1 6 . 1 1 60 60 MET CB C 60 33.570 33.570 32.389 1.181 25495 2344 1 6 . 1 1 60 60 MET H H 60 7.640 7.640 8.124 -0.484 25495 2345 1 6 . 1 1 61 61 ILE N N 61 118.132 118.132 118.994 -0.862 25495 2346 1 6 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.586 -0.231 25495 2347 1 6 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.188 -0.797 25495 2348 1 6 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.548 -0.109 25495 2349 1 6 . 1 1 61 61 ILE H H 61 7.334 7.334 7.644 -0.310 25495 2350 1 6 . 1 1 62 62 ASP N N 62 119.480 119.480 121.010 -1.530 25495 2351 1 6 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.280 -0.006 25495 2352 1 6 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.000 0.424 25495 2353 1 6 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.445 -0.138 25495 2354 1 6 . 1 1 62 62 ASP H H 62 8.754 8.754 8.390 0.364 25495 2355 1 6 . 1 1 63 63 GLU N N 63 116.032 116.032 117.956 -1.924 25495 2356 1 6 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.085 -0.054 25495 2357 1 6 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.547 0.271 25495 2358 1 6 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.741 0.718 25495 2359 1 6 . 1 1 63 63 GLU H H 63 7.588 7.588 7.823 -0.235 25495 2360 1 6 . 1 1 64 64 VAL N N 64 107.386 107.386 116.372 -8.986 25495 2361 1 6 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.039 0.487 25495 2362 1 6 . 1 1 64 64 VAL CA C 64 60.594 60.594 62.757 -2.163 25495 2363 1 6 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.563 -0.202 25495 2364 1 6 . 1 1 64 64 VAL H H 64 7.222 7.222 7.614 -0.392 25495 2365 1 6 . 1 1 65 65 ASP N N 65 121.993 121.993 122.070 -0.077 25495 2366 1 6 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.659 0.001 25495 2367 1 6 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.999 -0.529 25495 2368 1 6 . 1 1 65 65 ASP CB C 65 40.397 40.397 39.373 1.024 25495 2369 1 6 . 1 1 65 65 ASP H H 65 7.576 7.576 8.427 -0.851 25495 2370 1 6 . 1 1 66 66 GLU N N 66 128.234 128.234 122.154 6.080 25495 2371 1 6 . 1 1 66 66 GLU HA H 66 4.180 4.180 3.973 0.207 25495 2372 1 6 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.629 -0.158 25495 2373 1 6 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.803 1.067 25495 2374 1 6 . 1 1 66 66 GLU H H 66 8.586 8.586 8.058 0.528 25495 2375 1 6 . 1 1 67 67 ASP N N 67 114.535 114.535 114.306 0.229 25495 2376 1 6 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.491 0.231 25495 2377 1 6 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.497 -1.069 25495 2378 1 6 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.272 0.065 25495 2379 1 6 . 1 1 67 67 ASP H H 67 7.969 7.969 8.221 -0.252 25495 2380 1 6 . 1 1 68 68 GLY N N 68 108.961 108.961 108.392 0.569 25495 2381 1 6 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.888 1.290 25495 2382 1 6 . 1 1 68 68 GLY H H 68 7.766 7.766 7.627 0.139 25495 2383 1 6 . 1 1 69 69 SER N N 69 116.683 116.683 116.118 0.565 25495 2384 1 6 . 1 1 69 69 SER HA H 69 4.234 4.234 4.249 -0.015 25495 2385 1 6 . 1 1 69 69 SER CA C 69 60.271 60.271 59.884 0.387 25495 2386 1 6 . 1 1 69 69 SER CB C 69 64.864 64.864 63.636 1.228 25495 2387 1 6 . 1 1 69 69 SER H H 69 8.469 8.469 8.775 -0.306 25495 2388 1 6 . 1 1 70 70 GLY N N 70 116.564 116.564 110.488 6.076 25495 2389 1 6 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.784 -0.090 25495 2390 1 6 . 1 1 70 70 GLY H H 70 10.834 10.834 8.783 2.051 25495 2391 1 6 . 1 1 71 71 THR N N 71 107.543 107.543 111.625 -4.082 25495 2392 1 6 . 1 1 71 71 THR HA H 71 4.891 4.891 5.194 -0.303 25495 2393 1 6 . 1 1 71 71 THR CA C 71 58.480 58.480 59.919 -1.439 25495 2394 1 6 . 1 1 71 71 THR CB C 71 73.920 73.920 72.275 1.645 25495 2395 1 6 . 1 1 71 71 THR H H 71 7.651 7.651 7.974 -0.323 25495 2396 1 6 . 1 1 72 72 VAL N N 72 126.890 126.890 123.192 3.698 25495 2397 1 6 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.745 0.323 25495 2398 1 6 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.768 0.923 25495 2399 1 6 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.188 -0.218 25495 2400 1 6 . 1 1 72 72 VAL H H 72 9.698 9.698 9.161 0.537 25495 2401 1 6 . 1 1 73 73 ASP N N 73 129.120 129.120 127.259 1.861 25495 2402 1 6 . 1 1 73 73 ASP HA H 73 5.154 5.154 4.942 0.212 25495 2403 1 6 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.575 -0.127 25495 2404 1 6 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.288 -1.736 25495 2405 1 6 . 1 1 73 73 ASP H H 73 8.807 8.807 7.993 0.814 25495 2406 1 6 . 1 1 74 74 PHE N N 74 118.110 118.110 119.936 -1.826 25495 2407 1 6 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.894 -0.561 25495 2408 1 6 . 1 1 74 74 PHE CA C 74 61.653 61.653 63.037 -1.384 25495 2409 1 6 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.897 -0.356 25495 2410 1 6 . 1 1 74 74 PHE H H 74 8.511 8.511 8.488 0.023 25495 2411 1 6 . 1 1 75 75 ASP N N 75 117.145 117.145 118.897 -1.752 25495 2412 1 6 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.458 -0.477 25495 2413 1 6 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.081 -0.077 25495 2414 1 6 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.327 0.015 25495 2415 1 6 . 1 1 75 75 ASP H H 75 7.601 7.601 8.582 -0.981 25495 2416 1 6 . 1 1 76 76 GLU N N 76 120.605 120.605 119.602 1.003 25495 2417 1 6 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.987 0.063 25495 2418 1 6 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.188 -0.858 25495 2419 1 6 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.410 0.685 25495 2420 1 6 . 1 1 76 76 GLU H H 76 8.235 8.235 8.456 -0.221 25495 2421 1 6 . 1 1 77 77 PHE N N 77 123.122 123.122 121.888 1.234 25495 2422 1 6 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.105 -0.130 25495 2423 1 6 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.865 -0.357 25495 2424 1 6 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.833 0.730 25495 2425 1 6 . 1 1 77 77 PHE H H 77 8.983 8.983 8.800 0.183 25495 2426 1 6 . 1 1 78 78 LEU N N 78 118.537 118.537 118.520 0.017 25495 2427 1 6 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.466 -0.177 25495 2428 1 6 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.758 0.351 25495 2429 1 6 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.499 -0.020 25495 2430 1 6 . 1 1 78 78 LEU H H 78 7.842 7.842 7.999 -0.157 25495 2431 1 6 . 1 1 79 79 VAL N N 79 117.650 117.650 119.096 -1.446 25495 2432 1 6 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.638 -0.367 25495 2433 1 6 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.450 -0.015 25495 2434 1 6 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.027 -0.013 25495 2435 1 6 . 1 1 79 79 VAL H H 79 6.834 6.834 7.668 -0.834 25495 2436 1 6 . 1 1 80 80 MET N N 80 120.117 120.117 120.203 -0.086 25495 2437 1 6 . 1 1 80 80 MET HA H 80 3.550 3.550 4.017 -0.467 25495 2438 1 6 . 1 1 80 80 MET CA C 80 59.506 59.506 58.343 1.163 25495 2439 1 6 . 1 1 80 80 MET CB C 80 34.002 34.002 31.889 2.113 25495 2440 1 6 . 1 1 80 80 MET H H 80 7.990 7.990 8.373 -0.383 25495 2441 1 6 . 1 1 81 81 MET N N 81 116.622 116.622 119.686 -3.064 25495 2442 1 6 . 1 1 81 81 MET HA H 81 4.074 4.074 4.182 -0.108 25495 2443 1 6 . 1 1 81 81 MET CA C 81 56.657 56.657 58.435 -1.778 25495 2444 1 6 . 1 1 81 81 MET CB C 81 32.334 32.334 32.092 0.242 25495 2445 1 6 . 1 1 81 81 MET H H 81 8.148 8.148 7.787 0.361 25495 2446 1 6 . 1 1 82 82 VAL N N 82 117.651 117.651 119.351 -1.700 25495 2447 1 6 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.637 0.297 25495 2448 1 6 . 1 1 82 82 VAL CA C 82 66.177 66.177 67.066 -0.889 25495 2449 1 6 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.216 0.027 25495 2450 1 6 . 1 1 82 82 VAL H H 82 8.082 8.082 8.015 0.067 25495 2451 1 6 . 1 1 83 83 ARG N N 83 120.226 120.226 120.739 -0.513 25495 2452 1 6 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.213 -0.392 25495 2453 1 6 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.615 -0.025 25495 2454 1 6 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.146 -0.164 25495 2455 1 6 . 1 1 83 83 ARG H H 83 8.086 8.086 8.492 -0.406 25495 2456 1 6 . 1 1 84 84 CYS N N 84 115.892 115.892 116.513 -0.621 25495 2457 1 6 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.265 0.169 25495 2458 1 6 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.968 -1.431 25495 2459 1 6 . 1 1 84 84 CYS CB C 84 27.440 27.440 26.668 0.772 25495 2460 1 6 . 1 1 84 84 CYS H H 84 7.754 7.754 8.293 -0.539 25495 2461 1 6 . 1 1 85 85 MET HA H 85 4.416 4.416 4.273 0.143 25495 2462 1 6 . 1 1 85 85 MET CA C 85 57.720 57.720 57.822 -0.102 25495 2463 1 6 . 1 1 85 85 MET CB C 85 34.275 34.275 32.745 1.530 25495 2464 1 6 . 1 1 86 86 LYS N N 86 119.961 119.961 115.800 4.161 25495 2465 1 6 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.298 0.050 25495 2466 1 6 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.578 0.150 25495 2467 1 6 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.929 0.440 25495 2468 1 6 . 1 1 86 86 LYS H H 86 7.886 7.886 7.901 -0.015 25495 2469 1 6 . 1 1 87 87 ASP N N 87 121.700 121.700 118.864 2.836 25495 2470 1 6 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.241 0.480 25495 2471 1 6 . 1 1 87 87 ASP CA C 87 54.582 54.582 56.757 -2.175 25495 2472 1 6 . 1 1 87 87 ASP CB C 87 41.302 41.302 39.272 2.030 25495 2473 1 6 . 1 1 87 87 ASP H H 87 8.219 8.219 8.049 0.170 25495 2474 1 6 . 1 1 88 88 ASP N N 88 121.739 121.739 125.440 -3.701 25495 2475 1 6 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.558 0.174 25495 2476 1 6 . 1 1 88 88 ASP CA C 88 54.254 54.254 54.291 -0.037 25495 2477 1 6 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.799 1.549 25495 2478 1 6 . 1 1 88 88 ASP H H 88 8.256 8.256 8.301 -0.045 25495 2479 1 7 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.663 -0.007 25495 2480 1 7 . 1 1 2 2 ASP CA C 2 54.796 54.796 53.332 1.464 25495 2481 1 7 . 1 1 2 2 ASP CB C 2 41.624 41.624 41.533 0.091 25495 2482 1 7 . 1 1 3 3 ASP N N 3 122.846 122.846 118.398 4.448 25495 2483 1 7 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.397 0.092 25495 2484 1 7 . 1 1 3 3 ASP CA C 3 55.825 55.825 55.910 -0.085 25495 2485 1 7 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.197 1.224 25495 2486 1 7 . 1 1 3 3 ASP H H 3 8.509 8.509 8.675 -0.166 25495 2487 1 7 . 1 1 4 4 ILE N N 4 119.356 119.356 120.221 -0.865 25495 2488 1 7 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.634 0.282 25495 2489 1 7 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.261 -0.566 25495 2490 1 7 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.541 0.315 25495 2491 1 7 . 1 1 4 4 ILE H H 4 8.227 8.227 7.799 0.428 25495 2492 1 7 . 1 1 5 5 TYR N N 5 121.143 121.143 118.826 2.317 25495 2493 1 7 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.984 0.427 25495 2494 1 7 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.339 -2.200 25495 2495 1 7 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.562 0.226 25495 2496 1 7 . 1 1 5 5 TYR H H 5 7.639 7.639 7.807 -0.168 25495 2497 1 7 . 1 1 6 6 LYS N N 6 120.843 120.843 119.370 1.473 25495 2498 1 7 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.898 0.091 25495 2499 1 7 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.795 -0.217 25495 2500 1 7 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.193 0.126 25495 2501 1 7 . 1 1 6 6 LYS H H 6 7.929 7.929 7.933 -0.004 25495 2502 1 7 . 1 1 7 7 ALA N N 7 120.497 120.497 121.698 -1.201 25495 2503 1 7 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.193 -0.049 25495 2504 1 7 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.771 -0.120 25495 2505 1 7 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.394 -0.416 25495 2506 1 7 . 1 1 7 7 ALA H H 7 7.934 7.934 7.736 0.198 25495 2507 1 7 . 1 1 8 8 ALA N N 8 119.953 119.953 122.015 -2.062 25495 2508 1 7 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.971 0.211 25495 2509 1 7 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.879 -0.204 25495 2510 1 7 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.399 0.074 25495 2511 1 7 . 1 1 8 8 ALA H H 8 7.479 7.479 8.325 -0.846 25495 2512 1 7 . 1 1 9 9 VAL N N 9 119.227 119.227 118.605 0.622 25495 2513 1 7 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.571 -0.010 25495 2514 1 7 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.693 -0.445 25495 2515 1 7 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.279 0.785 25495 2516 1 7 . 1 1 9 9 VAL H H 9 8.030 8.030 8.262 -0.232 25495 2517 1 7 . 1 1 10 10 GLU N N 10 118.451 118.451 118.177 0.274 25495 2518 1 7 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.967 0.150 25495 2519 1 7 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.831 -0.471 25495 2520 1 7 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.416 0.133 25495 2521 1 7 . 1 1 10 10 GLU H H 10 7.763 7.763 7.949 -0.186 25495 2522 1 7 . 1 1 11 11 GLN N N 11 114.938 114.938 118.769 -3.831 25495 2523 1 7 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.068 0.238 25495 2524 1 7 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.389 -1.777 25495 2525 1 7 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.049 0.339 25495 2526 1 7 . 1 1 11 11 GLN H H 11 7.405 7.405 7.699 -0.294 25495 2527 1 7 . 1 1 12 12 LEU N N 12 120.828 120.828 119.548 1.280 25495 2528 1 7 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.046 0.485 25495 2529 1 7 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.723 -0.403 25495 2530 1 7 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.034 1.092 25495 2531 1 7 . 1 1 12 12 LEU H H 12 7.385 7.385 7.423 -0.038 25495 2532 1 7 . 1 1 13 13 THR N N 13 113.928 113.928 112.269 1.659 25495 2533 1 7 . 1 1 13 13 THR HA H 13 4.445 4.445 4.371 0.074 25495 2534 1 7 . 1 1 13 13 THR CA C 13 60.804 60.804 60.711 0.094 25495 2535 1 7 . 1 1 13 13 THR CB C 13 71.151 71.151 70.521 0.630 25495 2536 1 7 . 1 1 13 13 THR H H 13 8.930 8.930 8.142 0.788 25495 2537 1 7 . 1 1 14 14 GLU N N 14 121.720 121.720 120.735 0.985 25495 2538 1 7 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.988 0.000 25495 2539 1 7 . 1 1 14 14 GLU CA C 14 59.958 59.958 59.659 0.299 25495 2540 1 7 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.008 0.267 25495 2541 1 7 . 1 1 14 14 GLU H H 14 9.028 9.028 8.960 0.068 25495 2542 1 7 . 1 1 15 15 GLU N N 15 117.744 117.744 119.696 -1.952 25495 2543 1 7 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.184 -0.121 25495 2544 1 7 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.303 1.032 25495 2545 1 7 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.183 -0.023 25495 2546 1 7 . 1 1 15 15 GLU H H 15 8.651 8.651 8.549 0.102 25495 2547 1 7 . 1 1 16 16 GLN N N 16 119.476 119.476 118.663 0.813 25495 2548 1 7 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.126 -0.314 25495 2549 1 7 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.770 0.340 25495 2550 1 7 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.289 1.102 25495 2551 1 7 . 1 1 16 16 GLN H H 16 7.872 7.872 7.861 0.011 25495 2552 1 7 . 1 1 17 17 LYS N N 17 118.609 118.609 119.456 -0.847 25495 2553 1 7 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.368 -0.357 25495 2554 1 7 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.035 2.838 25495 2555 1 7 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.237 -0.088 25495 2556 1 7 . 1 1 17 17 LYS H H 17 8.572 8.572 8.213 0.359 25495 2557 1 7 . 1 1 18 18 ASN N N 18 117.908 117.908 118.903 -0.995 25495 2558 1 7 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.503 0.062 25495 2559 1 7 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.127 -0.105 25495 2560 1 7 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.271 -0.387 25495 2561 1 7 . 1 1 18 18 ASN H H 18 8.581 8.581 8.484 0.097 25495 2562 1 7 . 1 1 19 19 GLU N N 19 123.446 123.446 120.811 2.635 25495 2563 1 7 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.138 0.040 25495 2564 1 7 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.047 0.879 25495 2565 1 7 . 1 1 19 19 GLU CB C 19 29.004 29.004 28.894 0.110 25495 2566 1 7 . 1 1 19 19 GLU H H 19 7.993 7.993 8.678 -0.685 25495 2567 1 7 . 1 1 20 20 PHE N N 20 117.821 117.821 122.380 -4.559 25495 2568 1 7 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.289 0.633 25495 2569 1 7 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.014 -1.170 25495 2570 1 7 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.928 -1.026 25495 2571 1 7 . 1 1 20 20 PHE H H 20 8.528 8.528 7.930 0.598 25495 2572 1 7 . 1 1 21 21 LYS N N 21 122.656 122.656 119.399 3.257 25495 2573 1 7 . 1 1 21 21 LYS HA H 21 4.029 4.029 2.894 1.135 25495 2574 1 7 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.150 -0.455 25495 2575 1 7 . 1 1 21 21 LYS CB C 21 31.651 31.651 31.990 -0.339 25495 2576 1 7 . 1 1 21 21 LYS H H 21 8.929 8.929 7.573 1.356 25495 2577 1 7 . 1 1 22 22 ALA N N 22 121.479 121.479 120.977 0.502 25495 2578 1 7 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.084 0.122 25495 2579 1 7 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.797 0.303 25495 2580 1 7 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.160 -0.294 25495 2581 1 7 . 1 1 22 22 ALA H H 22 7.799 7.799 7.538 0.261 25495 2582 1 7 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.125 -0.042 25495 2583 1 7 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.906 0.255 25495 2584 1 7 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.417 0.580 25495 2585 1 7 . 1 1 24 24 PHE N N 24 121.493 121.493 119.285 2.208 25495 2586 1 7 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.710 -0.237 25495 2587 1 7 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.690 0.736 25495 2588 1 7 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.013 0.766 25495 2589 1 7 . 1 1 24 24 PHE H H 24 9.053 9.053 8.462 0.591 25495 2590 1 7 . 1 1 25 25 ASP N N 25 116.518 116.518 119.664 -3.146 25495 2591 1 7 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.291 -0.062 25495 2592 1 7 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.334 -0.309 25495 2593 1 7 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.755 -0.892 25495 2594 1 7 . 1 1 25 25 ASP H H 25 8.512 8.512 7.823 0.689 25495 2595 1 7 . 1 1 26 26 ILE N N 26 119.213 119.213 119.180 0.033 25495 2596 1 7 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.654 0.131 25495 2597 1 7 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.587 -0.899 25495 2598 1 7 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.030 -0.076 25495 2599 1 7 . 1 1 26 26 ILE H H 26 7.221 7.221 7.498 -0.277 25495 2600 1 7 . 1 1 27 27 PHE N N 27 123.265 123.265 120.181 3.084 25495 2601 1 7 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.105 0.633 25495 2602 1 7 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.646 -1.637 25495 2603 1 7 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.254 1.056 25495 2604 1 7 . 1 1 27 27 PHE H H 27 8.287 8.287 8.179 0.108 25495 2605 1 7 . 1 1 28 28 VAL N N 28 106.013 106.013 113.906 -7.893 25495 2606 1 7 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.077 -0.104 25495 2607 1 7 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.421 -0.123 25495 2608 1 7 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.500 1.079 25495 2609 1 7 . 1 1 28 28 VAL H H 28 7.544 7.544 7.697 -0.153 25495 2610 1 7 . 1 1 29 29 LEU N N 29 125.830 125.830 120.347 5.483 25495 2611 1 7 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.157 -0.081 25495 2612 1 7 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.206 0.310 25495 2613 1 7 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.949 0.628 25495 2614 1 7 . 1 1 29 29 LEU H H 29 7.240 7.240 7.793 -0.553 25495 2615 1 7 . 1 1 30 30 GLY N N 30 112.625 112.625 104.070 8.555 25495 2616 1 7 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.326 1.083 25495 2617 1 7 . 1 1 30 30 GLY H H 30 8.879 8.879 8.356 0.523 25495 2618 1 7 . 1 1 31 31 ALA N N 31 124.424 124.424 124.955 -0.531 25495 2619 1 7 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.729 -0.278 25495 2620 1 7 . 1 1 31 31 ALA CA C 31 52.173 52.173 50.919 1.254 25495 2621 1 7 . 1 1 31 31 ALA CB C 31 19.857 19.857 18.990 0.867 25495 2622 1 7 . 1 1 31 31 ALA H H 31 8.077 8.077 8.016 0.061 25495 2623 1 7 . 1 1 32 32 GLU N N 32 125.293 125.293 123.117 2.176 25495 2624 1 7 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.052 0.034 25495 2625 1 7 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.849 0.260 25495 2626 1 7 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.238 0.588 25495 2627 1 7 . 1 1 32 32 GLU H H 32 9.216 9.216 8.865 0.351 25495 2628 1 7 . 1 1 33 33 ASP N N 33 115.502 115.502 118.963 -3.461 25495 2629 1 7 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.580 0.129 25495 2630 1 7 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.293 -1.301 25495 2631 1 7 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.277 0.801 25495 2632 1 7 . 1 1 33 33 ASP H H 33 8.177 8.177 7.963 0.214 25495 2633 1 7 . 1 1 34 34 GLY N N 34 105.896 105.896 107.265 -1.369 25495 2634 1 7 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.617 1.021 25495 2635 1 7 . 1 1 34 34 GLY H H 34 7.588 7.588 8.192 -0.604 25495 2636 1 7 . 1 1 35 35 CYS N N 35 114.179 114.179 117.402 -3.223 25495 2637 1 7 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.880 0.109 25495 2638 1 7 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.456 0.212 25495 2639 1 7 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.670 1.067 25495 2640 1 7 . 1 1 35 35 CYS H H 35 7.438 7.438 7.568 -0.130 25495 2641 1 7 . 1 1 36 36 ILE N N 36 119.578 119.578 125.936 -6.358 25495 2642 1 7 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.361 -0.655 25495 2643 1 7 . 1 1 36 36 ILE CA C 36 62.762 62.762 60.892 1.870 25495 2644 1 7 . 1 1 36 36 ILE CB C 36 39.786 39.786 39.329 0.457 25495 2645 1 7 . 1 1 36 36 ILE H H 36 8.847 8.847 8.408 0.439 25495 2646 1 7 . 1 1 37 37 SER N N 37 126.282 126.282 121.740 4.542 25495 2647 1 7 . 1 1 37 37 SER HA H 37 5.059 5.059 5.103 -0.044 25495 2648 1 7 . 1 1 37 37 SER CA C 37 57.226 57.226 56.607 0.619 25495 2649 1 7 . 1 1 37 37 SER CB C 37 66.983 66.983 66.209 0.774 25495 2650 1 7 . 1 1 37 37 SER H H 37 9.462 9.462 8.801 0.661 25495 2651 1 7 . 1 1 38 38 THR N N 38 112.015 112.015 116.188 -4.173 25495 2652 1 7 . 1 1 38 38 THR HA H 38 3.730 3.730 4.033 -0.303 25495 2653 1 7 . 1 1 38 38 THR CA C 38 66.443 66.443 65.475 0.968 25495 2654 1 7 . 1 1 38 38 THR CB C 38 67.740 67.740 68.535 -0.795 25495 2655 1 7 . 1 1 38 38 THR H H 38 8.796 8.796 9.017 -0.221 25495 2656 1 7 . 1 1 39 39 LYS N N 39 123.244 123.244 121.067 2.177 25495 2657 1 7 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.079 -0.019 25495 2658 1 7 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.073 0.484 25495 2659 1 7 . 1 1 39 39 LYS CB C 39 32.240 32.240 31.534 0.706 25495 2660 1 7 . 1 1 39 39 LYS H H 39 8.050 8.050 8.122 -0.072 25495 2661 1 7 . 1 1 40 40 GLU N N 40 119.359 119.359 119.432 -0.073 25495 2662 1 7 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.265 -0.067 25495 2663 1 7 . 1 1 40 40 GLU CA C 40 60.766 60.766 58.041 2.725 25495 2664 1 7 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.670 0.244 25495 2665 1 7 . 1 1 40 40 GLU H H 40 7.750 7.750 7.547 0.203 25495 2666 1 7 . 1 1 41 41 LEU N N 41 119.256 119.256 120.949 -1.693 25495 2667 1 7 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.131 0.067 25495 2668 1 7 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.875 0.009 25495 2669 1 7 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.897 0.681 25495 2670 1 7 . 1 1 41 41 LEU H H 41 8.349 8.349 8.553 -0.204 25495 2671 1 7 . 1 1 42 42 GLY N N 42 106.053 106.053 106.556 -0.503 25495 2672 1 7 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.224 0.916 25495 2673 1 7 . 1 1 42 42 GLY H H 42 8.503 8.503 8.134 0.369 25495 2674 1 7 . 1 1 43 43 LYS N N 43 120.946 120.946 121.681 -0.735 25495 2675 1 7 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.227 -0.220 25495 2676 1 7 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.518 1.443 25495 2677 1 7 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.622 -0.248 25495 2678 1 7 . 1 1 43 43 LYS H H 43 7.319 7.319 7.656 -0.337 25495 2679 1 7 . 1 1 44 44 VAL N N 44 119.639 119.639 120.301 -0.662 25495 2680 1 7 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.587 0.008 25495 2681 1 7 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.923 -0.617 25495 2682 1 7 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.569 0.223 25495 2683 1 7 . 1 1 44 44 VAL H H 44 7.570 7.570 7.532 0.038 25495 2684 1 7 . 1 1 45 45 MET N N 45 116.846 116.846 117.125 -0.279 25495 2685 1 7 . 1 1 45 45 MET HA H 45 4.186 4.186 4.140 0.046 25495 2686 1 7 . 1 1 45 45 MET CA C 45 58.345 58.345 59.259 -0.914 25495 2687 1 7 . 1 1 45 45 MET CB C 45 31.125 31.125 31.930 -0.805 25495 2688 1 7 . 1 1 45 45 MET H H 45 8.438 8.438 8.549 -0.111 25495 2689 1 7 . 1 1 46 46 ARG N N 46 118.762 118.762 121.270 -2.508 25495 2690 1 7 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.061 0.591 25495 2691 1 7 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.060 0.291 25495 2692 1 7 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.728 0.327 25495 2693 1 7 . 1 1 46 46 ARG H H 46 8.114 8.114 7.606 0.508 25495 2694 1 7 . 1 1 47 47 MET N N 47 122.339 122.339 120.159 2.180 25495 2695 1 7 . 1 1 47 47 MET HA H 47 4.225 4.225 4.199 0.026 25495 2696 1 7 . 1 1 47 47 MET CA C 47 59.117 59.117 58.526 0.591 25495 2697 1 7 . 1 1 47 47 MET CB C 47 32.404 32.404 32.566 -0.162 25495 2698 1 7 . 1 1 47 47 MET H H 47 7.889 7.889 7.657 0.232 25495 2699 1 7 . 1 1 48 48 LEU N N 48 117.654 117.654 117.145 0.509 25495 2700 1 7 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.253 0.155 25495 2701 1 7 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.069 -0.412 25495 2702 1 7 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.038 -0.259 25495 2703 1 7 . 1 1 48 48 LEU H H 48 7.516 7.516 7.642 -0.126 25495 2704 1 7 . 1 1 49 49 GLY N N 49 107.494 107.494 106.340 1.154 25495 2705 1 7 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.965 0.934 25495 2706 1 7 . 1 1 49 49 GLY H H 49 7.875 7.875 7.717 0.158 25495 2707 1 7 . 1 1 50 50 GLN N N 50 118.165 118.165 119.940 -1.775 25495 2708 1 7 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.487 0.017 25495 2709 1 7 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.236 -0.174 25495 2710 1 7 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.070 0.027 25495 2711 1 7 . 1 1 50 50 GLN H H 50 8.025 8.025 8.251 -0.226 25495 2712 1 7 . 1 1 51 51 ASN N N 51 116.752 116.752 122.486 -5.734 25495 2713 1 7 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.070 0.086 25495 2714 1 7 . 1 1 51 51 ASN CA C 51 51.184 51.184 51.490 -0.306 25495 2715 1 7 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.172 0.080 25495 2716 1 7 . 1 1 51 51 ASN H H 51 8.706 8.706 8.581 0.125 25495 2717 1 7 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.674 0.097 25495 2718 1 7 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.625 -0.402 25495 2719 1 7 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.278 -0.262 25495 2720 1 7 . 1 1 53 53 THR N N 53 114.441 114.441 110.055 4.386 25495 2721 1 7 . 1 1 53 53 THR HA H 53 4.623 4.623 4.712 -0.089 25495 2722 1 7 . 1 1 53 53 THR CA C 53 60.314 60.314 59.324 0.990 25495 2723 1 7 . 1 1 53 53 THR CB C 53 68.422 68.422 68.272 0.149 25495 2724 1 7 . 1 1 53 53 THR H H 53 8.899 8.899 7.913 0.986 25495 2725 1 7 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.099 0.082 25495 2726 1 7 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.835 0.352 25495 2727 1 7 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.749 0.019 25495 2728 1 7 . 1 1 55 55 GLU N N 55 117.303 117.303 116.663 0.640 25495 2729 1 7 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.015 0.010 25495 2730 1 7 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.550 0.960 25495 2731 1 7 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.593 0.173 25495 2732 1 7 . 1 1 55 55 GLU H H 55 8.751 8.751 9.039 -0.288 25495 2733 1 7 . 1 1 56 56 GLU N N 56 121.627 121.627 120.423 1.204 25495 2734 1 7 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.320 -0.323 25495 2735 1 7 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.470 0.730 25495 2736 1 7 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.309 0.740 25495 2737 1 7 . 1 1 56 56 GLU H H 56 7.813 7.813 7.607 0.206 25495 2738 1 7 . 1 1 57 57 LEU N N 57 118.921 118.921 119.974 -1.053 25495 2739 1 7 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.098 -0.066 25495 2740 1 7 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.706 0.068 25495 2741 1 7 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.645 1.003 25495 2742 1 7 . 1 1 57 57 LEU H H 57 8.143 8.143 7.715 0.428 25495 2743 1 7 . 1 1 58 58 GLN N N 58 117.966 117.966 119.108 -1.142 25495 2744 1 7 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.976 -0.270 25495 2745 1 7 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.765 -0.528 25495 2746 1 7 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.233 0.250 25495 2747 1 7 . 1 1 58 58 GLN H H 58 8.001 8.001 8.144 -0.143 25495 2748 1 7 . 1 1 59 59 GLU N N 59 119.177 119.177 120.425 -1.248 25495 2749 1 7 . 1 1 59 59 GLU HA H 59 4.041 4.041 3.998 0.043 25495 2750 1 7 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.276 0.362 25495 2751 1 7 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.463 -0.033 25495 2752 1 7 . 1 1 59 59 GLU H H 59 7.935 7.935 8.045 -0.110 25495 2753 1 7 . 1 1 60 60 MET N N 60 117.654 117.654 118.972 -1.318 25495 2754 1 7 . 1 1 60 60 MET HA H 60 3.936 3.936 4.052 -0.116 25495 2755 1 7 . 1 1 60 60 MET CA C 60 59.488 59.488 59.934 -0.446 25495 2756 1 7 . 1 1 60 60 MET CB C 60 33.570 33.570 32.690 0.881 25495 2757 1 7 . 1 1 60 60 MET H H 60 7.640 7.640 8.183 -0.543 25495 2758 1 7 . 1 1 61 61 ILE N N 61 118.132 118.132 119.643 -1.511 25495 2759 1 7 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.593 -0.238 25495 2760 1 7 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.158 -0.767 25495 2761 1 7 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.651 -0.212 25495 2762 1 7 . 1 1 61 61 ILE H H 61 7.334 7.334 7.651 -0.317 25495 2763 1 7 . 1 1 62 62 ASP N N 62 119.480 119.480 120.038 -0.558 25495 2764 1 7 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.273 0.001 25495 2765 1 7 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.175 0.249 25495 2766 1 7 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.620 -0.313 25495 2767 1 7 . 1 1 62 62 ASP H H 62 8.754 8.754 8.148 0.606 25495 2768 1 7 . 1 1 63 63 GLU N N 63 116.032 116.032 118.121 -2.089 25495 2769 1 7 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.095 -0.064 25495 2770 1 7 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.779 0.039 25495 2771 1 7 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.057 0.402 25495 2772 1 7 . 1 1 63 63 GLU H H 63 7.588 7.588 8.228 -0.640 25495 2773 1 7 . 1 1 64 64 VAL N N 64 107.386 107.386 109.757 -2.371 25495 2774 1 7 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.110 0.416 25495 2775 1 7 . 1 1 64 64 VAL CA C 64 60.594 60.594 62.024 -1.430 25495 2776 1 7 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.304 0.057 25495 2777 1 7 . 1 1 64 64 VAL H H 64 7.222 7.222 7.103 0.119 25495 2778 1 7 . 1 1 65 65 ASP N N 65 121.993 121.993 121.225 0.768 25495 2779 1 7 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.530 0.130 25495 2780 1 7 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.477 -1.007 25495 2781 1 7 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.664 -1.267 25495 2782 1 7 . 1 1 65 65 ASP H H 65 7.576 7.576 7.859 -0.283 25495 2783 1 7 . 1 1 66 66 GLU N N 66 128.234 128.234 125.272 2.962 25495 2784 1 7 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.190 -0.010 25495 2785 1 7 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.349 0.122 25495 2786 1 7 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.826 1.044 25495 2787 1 7 . 1 1 66 66 GLU H H 66 8.586 8.586 8.606 -0.020 25495 2788 1 7 . 1 1 67 67 ASP N N 67 114.535 114.535 115.294 -0.759 25495 2789 1 7 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.658 0.064 25495 2790 1 7 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.385 -0.957 25495 2791 1 7 . 1 1 67 67 ASP CB C 67 40.337 40.337 41.090 -0.753 25495 2792 1 7 . 1 1 67 67 ASP H H 67 7.969 7.969 8.879 -0.910 25495 2793 1 7 . 1 1 68 68 GLY N N 68 108.961 108.961 108.065 0.896 25495 2794 1 7 . 1 1 68 68 GLY CA C 68 47.178 47.178 46.026 1.152 25495 2795 1 7 . 1 1 68 68 GLY H H 68 7.766 7.766 8.061 -0.295 25495 2796 1 7 . 1 1 69 69 SER N N 69 116.683 116.683 116.386 0.297 25495 2797 1 7 . 1 1 69 69 SER HA H 69 4.234 4.234 4.166 0.068 25495 2798 1 7 . 1 1 69 69 SER CA C 69 60.271 60.271 59.647 0.624 25495 2799 1 7 . 1 1 69 69 SER CB C 69 64.864 64.864 64.236 0.628 25495 2800 1 7 . 1 1 69 69 SER H H 69 8.469 8.469 8.448 0.021 25495 2801 1 7 . 1 1 70 70 GLY N N 70 116.564 116.564 111.243 5.321 25495 2802 1 7 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.219 0.475 25495 2803 1 7 . 1 1 70 70 GLY H H 70 10.834 10.834 9.102 1.732 25495 2804 1 7 . 1 1 71 71 THR N N 71 107.543 107.543 111.683 -4.140 25495 2805 1 7 . 1 1 71 71 THR HA H 71 4.891 4.891 5.209 -0.318 25495 2806 1 7 . 1 1 71 71 THR CA C 71 58.480 58.480 59.908 -1.428 25495 2807 1 7 . 1 1 71 71 THR CB C 71 73.920 73.920 72.522 1.398 25495 2808 1 7 . 1 1 71 71 THR H H 71 7.651 7.651 7.483 0.168 25495 2809 1 7 . 1 1 72 72 VAL N N 72 126.890 126.890 122.410 4.480 25495 2810 1 7 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.576 0.492 25495 2811 1 7 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.408 0.283 25495 2812 1 7 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.736 -0.766 25495 2813 1 7 . 1 1 72 72 VAL H H 72 9.698 9.698 8.868 0.830 25495 2814 1 7 . 1 1 73 73 ASP N N 73 129.120 129.120 126.611 2.509 25495 2815 1 7 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.025 0.129 25495 2816 1 7 . 1 1 73 73 ASP CA C 73 52.448 52.448 51.916 0.533 25495 2817 1 7 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.474 -1.922 25495 2818 1 7 . 1 1 73 73 ASP H H 73 8.807 8.807 8.483 0.324 25495 2819 1 7 . 1 1 74 74 PHE N N 74 118.110 118.110 120.163 -2.053 25495 2820 1 7 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.929 -0.596 25495 2821 1 7 . 1 1 74 74 PHE CA C 74 61.653 61.653 63.034 -1.381 25495 2822 1 7 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.524 0.016 25495 2823 1 7 . 1 1 74 74 PHE H H 74 8.511 8.511 8.861 -0.350 25495 2824 1 7 . 1 1 75 75 ASP N N 75 117.145 117.145 119.112 -1.967 25495 2825 1 7 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.457 -0.476 25495 2826 1 7 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.879 0.125 25495 2827 1 7 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.749 0.593 25495 2828 1 7 . 1 1 75 75 ASP H H 75 7.601 7.601 8.783 -1.182 25495 2829 1 7 . 1 1 76 76 GLU N N 76 120.605 120.605 120.333 0.272 25495 2830 1 7 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.012 0.038 25495 2831 1 7 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.270 -0.940 25495 2832 1 7 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.479 0.616 25495 2833 1 7 . 1 1 76 76 GLU H H 76 8.235 8.235 8.539 -0.304 25495 2834 1 7 . 1 1 77 77 PHE N N 77 123.122 123.122 121.496 1.626 25495 2835 1 7 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.102 -0.127 25495 2836 1 7 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.883 -1.375 25495 2837 1 7 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.358 0.205 25495 2838 1 7 . 1 1 77 77 PHE H H 77 8.983 8.983 8.725 0.258 25495 2839 1 7 . 1 1 78 78 LEU N N 78 118.537 118.537 118.637 -0.100 25495 2840 1 7 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.761 -0.472 25495 2841 1 7 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.054 0.055 25495 2842 1 7 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.525 -0.045 25495 2843 1 7 . 1 1 78 78 LEU H H 78 7.842 7.842 8.246 -0.404 25495 2844 1 7 . 1 1 79 79 VAL N N 79 117.650 117.650 119.120 -1.470 25495 2845 1 7 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.544 -0.273 25495 2846 1 7 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.643 -0.208 25495 2847 1 7 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.114 -0.100 25495 2848 1 7 . 1 1 79 79 VAL H H 79 6.834 6.834 7.887 -1.053 25495 2849 1 7 . 1 1 80 80 MET N N 80 120.117 120.117 120.286 -0.169 25495 2850 1 7 . 1 1 80 80 MET HA H 80 3.550 3.550 3.910 -0.360 25495 2851 1 7 . 1 1 80 80 MET CA C 80 59.506 59.506 58.236 1.270 25495 2852 1 7 . 1 1 80 80 MET CB C 80 34.002 34.002 31.920 2.082 25495 2853 1 7 . 1 1 80 80 MET H H 80 7.990 7.990 8.367 -0.377 25495 2854 1 7 . 1 1 81 81 MET N N 81 116.622 116.622 119.580 -2.958 25495 2855 1 7 . 1 1 81 81 MET HA H 81 4.074 4.074 4.004 0.070 25495 2856 1 7 . 1 1 81 81 MET CA C 81 56.657 56.657 59.266 -2.609 25495 2857 1 7 . 1 1 81 81 MET CB C 81 32.334 32.334 32.571 -0.237 25495 2858 1 7 . 1 1 81 81 MET H H 81 8.148 8.148 7.818 0.330 25495 2859 1 7 . 1 1 82 82 VAL N N 82 117.651 117.651 118.655 -1.004 25495 2860 1 7 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.685 0.249 25495 2861 1 7 . 1 1 82 82 VAL CA C 82 66.177 66.177 67.000 -0.823 25495 2862 1 7 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.145 0.098 25495 2863 1 7 . 1 1 82 82 VAL H H 82 8.082 8.082 8.088 -0.006 25495 2864 1 7 . 1 1 83 83 ARG N N 83 120.226 120.226 121.025 -0.799 25495 2865 1 7 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.184 -0.363 25495 2866 1 7 . 1 1 83 83 ARG CA C 83 59.590 59.590 60.122 -0.532 25495 2867 1 7 . 1 1 83 83 ARG CB C 83 29.982 29.982 29.974 0.008 25495 2868 1 7 . 1 1 83 83 ARG H H 83 8.086 8.086 8.710 -0.624 25495 2869 1 7 . 1 1 84 84 CYS N N 84 115.892 115.892 117.440 -1.548 25495 2870 1 7 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.093 0.341 25495 2871 1 7 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.008 -1.471 25495 2872 1 7 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.654 -0.214 25495 2873 1 7 . 1 1 84 84 CYS H H 84 7.754 7.754 7.876 -0.122 25495 2874 1 7 . 1 1 85 85 MET HA H 85 4.416 4.416 4.210 0.206 25495 2875 1 7 . 1 1 85 85 MET CA C 85 57.720 57.720 58.251 -0.531 25495 2876 1 7 . 1 1 85 85 MET CB C 85 34.275 34.275 32.936 1.339 25495 2877 1 7 . 1 1 86 86 LYS N N 86 119.961 119.961 118.501 1.460 25495 2878 1 7 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.109 0.239 25495 2879 1 7 . 1 1 86 86 LYS CA C 86 56.728 56.728 57.770 -1.042 25495 2880 1 7 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.845 0.524 25495 2881 1 7 . 1 1 86 86 LYS H H 86 7.886 7.886 7.891 -0.005 25495 2882 1 7 . 1 1 87 87 ASP N N 87 121.700 121.700 120.519 1.181 25495 2883 1 7 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.450 0.271 25495 2884 1 7 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.326 -0.744 25495 2885 1 7 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.416 -0.114 25495 2886 1 7 . 1 1 87 87 ASP H H 87 8.219 8.219 8.057 0.162 25495 2887 1 7 . 1 1 88 88 ASP N N 88 121.739 121.739 124.500 -2.761 25495 2888 1 7 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.731 0.001 25495 2889 1 7 . 1 1 88 88 ASP CA C 88 54.254 54.254 52.547 1.707 25495 2890 1 7 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.160 1.188 25495 2891 1 7 . 1 1 88 88 ASP H H 88 8.256 8.256 8.425 -0.169 25495 2892 1 8 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.501 0.155 25495 2893 1 8 . 1 1 2 2 ASP CA C 2 54.796 54.796 56.141 -1.345 25495 2894 1 8 . 1 1 2 2 ASP CB C 2 41.624 41.624 39.711 1.913 25495 2895 1 8 . 1 1 3 3 ASP N N 3 122.846 122.846 119.893 2.953 25495 2896 1 8 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.431 0.058 25495 2897 1 8 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.751 -0.926 25495 2898 1 8 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.876 0.545 25495 2899 1 8 . 1 1 3 3 ASP H H 3 8.509 8.509 8.427 0.082 25495 2900 1 8 . 1 1 4 4 ILE N N 4 119.356 119.356 119.928 -0.572 25495 2901 1 8 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.674 0.242 25495 2902 1 8 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.608 -0.913 25495 2903 1 8 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.978 -0.122 25495 2904 1 8 . 1 1 4 4 ILE H H 4 8.227 8.227 7.530 0.697 25495 2905 1 8 . 1 1 5 5 TYR N N 5 121.143 121.143 120.051 1.092 25495 2906 1 8 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.939 0.472 25495 2907 1 8 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.022 -1.883 25495 2908 1 8 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.249 -0.461 25495 2909 1 8 . 1 1 5 5 TYR H H 5 7.639 7.639 7.699 -0.060 25495 2910 1 8 . 1 1 6 6 LYS N N 6 120.843 120.843 119.348 1.495 25495 2911 1 8 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.729 0.260 25495 2912 1 8 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.507 0.071 25495 2913 1 8 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.357 -0.038 25495 2914 1 8 . 1 1 6 6 LYS H H 6 7.929 7.929 7.822 0.107 25495 2915 1 8 . 1 1 7 7 ALA N N 7 120.497 120.497 120.646 -0.149 25495 2916 1 8 . 1 1 7 7 ALA HA H 7 4.144 4.144 3.995 0.149 25495 2917 1 8 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.780 -0.129 25495 2918 1 8 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.246 -0.268 25495 2919 1 8 . 1 1 7 7 ALA H H 7 7.934 7.934 7.795 0.139 25495 2920 1 8 . 1 1 8 8 ALA N N 8 119.953 119.953 121.812 -1.859 25495 2921 1 8 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.911 0.271 25495 2922 1 8 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.735 -0.060 25495 2923 1 8 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.255 0.218 25495 2924 1 8 . 1 1 8 8 ALA H H 8 7.479 7.479 7.887 -0.408 25495 2925 1 8 . 1 1 9 9 VAL N N 9 119.227 119.227 118.243 0.984 25495 2926 1 8 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.340 0.221 25495 2927 1 8 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.840 -0.592 25495 2928 1 8 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.527 0.537 25495 2929 1 8 . 1 1 9 9 VAL H H 9 8.030 8.030 7.367 0.663 25495 2930 1 8 . 1 1 10 10 GLU N N 10 118.451 118.451 119.518 -1.067 25495 2931 1 8 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.936 0.181 25495 2932 1 8 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.841 -0.481 25495 2933 1 8 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.445 0.103 25495 2934 1 8 . 1 1 10 10 GLU H H 10 7.763 7.763 7.614 0.149 25495 2935 1 8 . 1 1 11 11 GLN N N 11 114.938 114.938 116.995 -2.057 25495 2936 1 8 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.061 0.245 25495 2937 1 8 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.796 -1.184 25495 2938 1 8 . 1 1 11 11 GLN CB C 11 29.388 29.388 28.968 0.420 25495 2939 1 8 . 1 1 11 11 GLN H H 11 7.405 7.405 7.764 -0.359 25495 2940 1 8 . 1 1 12 12 LEU N N 12 120.828 120.828 121.141 -0.313 25495 2941 1 8 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.112 0.419 25495 2942 1 8 . 1 1 12 12 LEU CA C 12 55.320 55.320 54.865 0.455 25495 2943 1 8 . 1 1 12 12 LEU CB C 12 43.126 43.126 41.848 1.278 25495 2944 1 8 . 1 1 12 12 LEU H H 12 7.385 7.385 7.215 0.170 25495 2945 1 8 . 1 1 13 13 THR N N 13 113.928 113.928 114.402 -0.474 25495 2946 1 8 . 1 1 13 13 THR HA H 13 4.445 4.445 4.306 0.139 25495 2947 1 8 . 1 1 13 13 THR CA C 13 60.804 60.804 60.933 -0.129 25495 2948 1 8 . 1 1 13 13 THR CB C 13 71.151 71.151 69.921 1.230 25495 2949 1 8 . 1 1 13 13 THR H H 13 8.930 8.930 8.114 0.816 25495 2950 1 8 . 1 1 14 14 GLU N N 14 121.720 121.720 121.474 0.246 25495 2951 1 8 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.892 0.096 25495 2952 1 8 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.255 -0.297 25495 2953 1 8 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.407 -0.133 25495 2954 1 8 . 1 1 14 14 GLU H H 14 9.028 9.028 8.959 0.069 25495 2955 1 8 . 1 1 15 15 GLU N N 15 117.744 117.744 118.521 -0.777 25495 2956 1 8 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.225 -0.162 25495 2957 1 8 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.708 0.627 25495 2958 1 8 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.100 0.060 25495 2959 1 8 . 1 1 15 15 GLU H H 15 8.651 8.651 8.560 0.091 25495 2960 1 8 . 1 1 16 16 GLN N N 16 119.476 119.476 118.491 0.985 25495 2961 1 8 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.046 -0.234 25495 2962 1 8 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.499 0.610 25495 2963 1 8 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.260 1.131 25495 2964 1 8 . 1 1 16 16 GLN H H 16 7.872 7.872 7.694 0.178 25495 2965 1 8 . 1 1 17 17 LYS N N 17 118.609 118.609 119.692 -1.083 25495 2966 1 8 . 1 1 17 17 LYS HA H 17 4.011 4.011 3.780 0.231 25495 2967 1 8 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.438 2.435 25495 2968 1 8 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.058 0.091 25495 2969 1 8 . 1 1 17 17 LYS H H 17 8.572 8.572 7.990 0.582 25495 2970 1 8 . 1 1 18 18 ASN N N 18 117.908 117.908 118.931 -1.023 25495 2971 1 8 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.508 0.056 25495 2972 1 8 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.703 -0.681 25495 2973 1 8 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.396 -0.512 25495 2974 1 8 . 1 1 18 18 ASN H H 18 8.581 8.581 8.156 0.425 25495 2975 1 8 . 1 1 19 19 GLU N N 19 123.446 123.446 120.480 2.966 25495 2976 1 8 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.194 -0.016 25495 2977 1 8 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.330 0.596 25495 2978 1 8 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.380 -0.376 25495 2979 1 8 . 1 1 19 19 GLU H H 19 7.993 7.993 8.149 -0.156 25495 2980 1 8 . 1 1 20 20 PHE N N 20 117.821 117.821 119.534 -1.713 25495 2981 1 8 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.453 0.469 25495 2982 1 8 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.363 -0.519 25495 2983 1 8 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.589 -0.687 25495 2984 1 8 . 1 1 20 20 PHE H H 20 8.528 8.528 8.171 0.357 25495 2985 1 8 . 1 1 21 21 LYS N N 21 122.656 122.656 120.754 1.902 25495 2986 1 8 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.144 -0.115 25495 2987 1 8 . 1 1 21 21 LYS CA C 21 58.695 58.695 60.039 -1.344 25495 2988 1 8 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.574 -0.923 25495 2989 1 8 . 1 1 21 21 LYS H H 21 8.929 8.929 8.329 0.600 25495 2990 1 8 . 1 1 22 22 ALA N N 22 121.479 121.479 121.326 0.153 25495 2991 1 8 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.142 0.064 25495 2992 1 8 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.092 0.008 25495 2993 1 8 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.062 -0.196 25495 2994 1 8 . 1 1 22 22 ALA H H 22 7.799 7.799 7.787 0.012 25495 2995 1 8 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.114 -0.031 25495 2996 1 8 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.896 0.265 25495 2997 1 8 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.358 0.639 25495 2998 1 8 . 1 1 24 24 PHE N N 24 121.493 121.493 118.731 2.762 25495 2999 1 8 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.604 -0.131 25495 3000 1 8 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.220 1.206 25495 3001 1 8 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.411 1.368 25495 3002 1 8 . 1 1 24 24 PHE H H 24 9.053 9.053 8.104 0.949 25495 3003 1 8 . 1 1 25 25 ASP N N 25 116.518 116.518 119.244 -2.726 25495 3004 1 8 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.198 0.031 25495 3005 1 8 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.106 -0.081 25495 3006 1 8 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.855 -0.992 25495 3007 1 8 . 1 1 25 25 ASP H H 25 8.512 8.512 8.402 0.110 25495 3008 1 8 . 1 1 26 26 ILE N N 26 119.213 119.213 118.516 0.697 25495 3009 1 8 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.708 0.077 25495 3010 1 8 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.207 -0.518 25495 3011 1 8 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.144 -0.190 25495 3012 1 8 . 1 1 26 26 ILE H H 26 7.221 7.221 7.546 -0.325 25495 3013 1 8 . 1 1 27 27 PHE N N 27 123.265 123.265 120.641 2.624 25495 3014 1 8 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.049 0.689 25495 3015 1 8 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.736 -1.728 25495 3016 1 8 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.083 1.227 25495 3017 1 8 . 1 1 27 27 PHE H H 27 8.287 8.287 8.252 0.035 25495 3018 1 8 . 1 1 28 28 VAL N N 28 106.013 106.013 114.594 -8.581 25495 3019 1 8 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.283 -0.310 25495 3020 1 8 . 1 1 28 28 VAL CA C 28 61.298 61.298 62.101 -0.803 25495 3021 1 8 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.423 2.156 25495 3022 1 8 . 1 1 28 28 VAL H H 28 7.544 7.544 7.517 0.027 25495 3023 1 8 . 1 1 29 29 LEU N N 29 125.830 125.830 120.397 5.433 25495 3024 1 8 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.150 -0.074 25495 3025 1 8 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.327 0.189 25495 3026 1 8 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.748 0.828 25495 3027 1 8 . 1 1 29 29 LEU H H 29 7.240 7.240 7.889 -0.649 25495 3028 1 8 . 1 1 30 30 GLY N N 30 112.625 112.625 104.228 8.397 25495 3029 1 8 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.428 0.981 25495 3030 1 8 . 1 1 30 30 GLY H H 30 8.879 8.879 8.002 0.876 25495 3031 1 8 . 1 1 31 31 ALA N N 31 124.424 124.424 123.766 0.658 25495 3032 1 8 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.631 -0.180 25495 3033 1 8 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.444 0.729 25495 3034 1 8 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.693 0.164 25495 3035 1 8 . 1 1 31 31 ALA H H 31 8.077 8.077 7.990 0.087 25495 3036 1 8 . 1 1 32 32 GLU N N 32 125.293 125.293 123.813 1.480 25495 3037 1 8 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.068 0.018 25495 3038 1 8 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.725 0.383 25495 3039 1 8 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.602 0.224 25495 3040 1 8 . 1 1 32 32 GLU H H 32 9.216 9.216 8.842 0.374 25495 3041 1 8 . 1 1 33 33 ASP N N 33 115.502 115.502 117.769 -2.267 25495 3042 1 8 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.627 0.082 25495 3043 1 8 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.355 -1.363 25495 3044 1 8 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.426 0.652 25495 3045 1 8 . 1 1 33 33 ASP H H 33 8.177 8.177 8.057 0.120 25495 3046 1 8 . 1 1 34 34 GLY N N 34 105.896 105.896 108.471 -2.575 25495 3047 1 8 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.770 0.868 25495 3048 1 8 . 1 1 34 34 GLY H H 34 7.588 7.588 8.082 -0.494 25495 3049 1 8 . 1 1 35 35 CYS N N 35 114.179 114.179 116.163 -1.984 25495 3050 1 8 . 1 1 35 35 CYS HA H 35 4.989 4.989 5.192 -0.203 25495 3051 1 8 . 1 1 35 35 CYS CA C 35 57.668 57.668 55.462 2.206 25495 3052 1 8 . 1 1 35 35 CYS CB C 35 31.737 31.737 31.543 0.194 25495 3053 1 8 . 1 1 35 35 CYS H H 35 7.438 7.438 7.292 0.146 25495 3054 1 8 . 1 1 36 36 ILE N N 36 119.578 119.578 121.843 -2.265 25495 3055 1 8 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.454 -0.748 25495 3056 1 8 . 1 1 36 36 ILE CA C 36 62.762 62.762 59.879 2.883 25495 3057 1 8 . 1 1 36 36 ILE CB C 36 39.786 39.786 37.677 2.109 25495 3058 1 8 . 1 1 36 36 ILE H H 36 8.847 8.847 8.164 0.683 25495 3059 1 8 . 1 1 37 37 SER N N 37 126.282 126.282 120.245 6.037 25495 3060 1 8 . 1 1 37 37 SER HA H 37 5.059 5.059 5.068 -0.009 25495 3061 1 8 . 1 1 37 37 SER CA C 37 57.226 57.226 55.624 1.602 25495 3062 1 8 . 1 1 37 37 SER CB C 37 66.983 66.983 65.111 1.872 25495 3063 1 8 . 1 1 37 37 SER H H 37 9.462 9.462 8.607 0.855 25495 3064 1 8 . 1 1 38 38 THR N N 38 112.015 112.015 115.423 -3.408 25495 3065 1 8 . 1 1 38 38 THR HA H 38 3.730 3.730 3.992 -0.262 25495 3066 1 8 . 1 1 38 38 THR CA C 38 66.443 66.443 66.148 0.295 25495 3067 1 8 . 1 1 38 38 THR CB C 38 67.740 67.740 68.784 -1.044 25495 3068 1 8 . 1 1 38 38 THR H H 38 8.796 8.796 8.886 -0.090 25495 3069 1 8 . 1 1 39 39 LYS N N 39 123.244 123.244 121.583 1.661 25495 3070 1 8 . 1 1 39 39 LYS HA H 39 4.060 4.060 3.998 0.062 25495 3071 1 8 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.080 0.477 25495 3072 1 8 . 1 1 39 39 LYS CB C 39 32.240 32.240 31.835 0.405 25495 3073 1 8 . 1 1 39 39 LYS H H 39 8.050 8.050 7.895 0.155 25495 3074 1 8 . 1 1 40 40 GLU N N 40 119.359 119.359 119.807 -0.448 25495 3075 1 8 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.090 0.108 25495 3076 1 8 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.180 1.586 25495 3077 1 8 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.306 0.608 25495 3078 1 8 . 1 1 40 40 GLU H H 40 7.750 7.750 8.221 -0.471 25495 3079 1 8 . 1 1 41 41 LEU N N 41 119.256 119.256 120.170 -0.914 25495 3080 1 8 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.074 0.124 25495 3081 1 8 . 1 1 41 41 LEU CA C 41 57.884 57.884 58.000 -0.116 25495 3082 1 8 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.786 0.792 25495 3083 1 8 . 1 1 41 41 LEU H H 41 8.349 8.349 8.586 -0.237 25495 3084 1 8 . 1 1 42 42 GLY N N 42 106.053 106.053 105.902 0.151 25495 3085 1 8 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.322 0.818 25495 3086 1 8 . 1 1 42 42 GLY H H 42 8.503 8.503 8.044 0.459 25495 3087 1 8 . 1 1 43 43 LYS N N 43 120.946 120.946 122.050 -1.104 25495 3088 1 8 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.126 -0.119 25495 3089 1 8 . 1 1 43 43 LYS CA C 43 59.961 59.961 59.166 0.795 25495 3090 1 8 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.388 -0.014 25495 3091 1 8 . 1 1 43 43 LYS H H 43 7.319 7.319 7.475 -0.156 25495 3092 1 8 . 1 1 44 44 VAL N N 44 119.639 119.639 120.739 -1.100 25495 3093 1 8 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.587 0.008 25495 3094 1 8 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.666 -0.360 25495 3095 1 8 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.440 0.352 25495 3096 1 8 . 1 1 44 44 VAL H H 44 7.570 7.570 7.807 -0.237 25495 3097 1 8 . 1 1 45 45 MET N N 45 116.846 116.846 117.817 -0.971 25495 3098 1 8 . 1 1 45 45 MET HA H 45 4.186 4.186 4.129 0.057 25495 3099 1 8 . 1 1 45 45 MET CA C 45 58.345 58.345 57.997 0.348 25495 3100 1 8 . 1 1 45 45 MET CB C 45 31.125 31.125 31.316 -0.191 25495 3101 1 8 . 1 1 45 45 MET H H 45 8.438 8.438 8.619 -0.181 25495 3102 1 8 . 1 1 46 46 ARG N N 46 118.762 118.762 119.385 -0.623 25495 3103 1 8 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.211 0.441 25495 3104 1 8 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.103 0.248 25495 3105 1 8 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.100 -0.045 25495 3106 1 8 . 1 1 46 46 ARG H H 46 8.114 8.114 7.732 0.382 25495 3107 1 8 . 1 1 47 47 MET N N 47 122.339 122.339 118.904 3.435 25495 3108 1 8 . 1 1 47 47 MET HA H 47 4.225 4.225 4.194 0.031 25495 3109 1 8 . 1 1 47 47 MET CA C 47 59.117 59.117 57.684 1.433 25495 3110 1 8 . 1 1 47 47 MET CB C 47 32.404 32.404 32.356 0.048 25495 3111 1 8 . 1 1 47 47 MET H H 47 7.889 7.889 7.512 0.377 25495 3112 1 8 . 1 1 48 48 LEU N N 48 117.654 117.654 117.275 0.379 25495 3113 1 8 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.193 0.215 25495 3114 1 8 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.496 -0.839 25495 3115 1 8 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.339 -0.560 25495 3116 1 8 . 1 1 48 48 LEU H H 48 7.516 7.516 7.699 -0.183 25495 3117 1 8 . 1 1 49 49 GLY N N 49 107.494 107.494 104.779 2.715 25495 3118 1 8 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.392 1.507 25495 3119 1 8 . 1 1 49 49 GLY H H 49 7.875 7.875 7.607 0.268 25495 3120 1 8 . 1 1 50 50 GLN N N 50 118.165 118.165 119.680 -1.515 25495 3121 1 8 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.614 -0.110 25495 3122 1 8 . 1 1 50 50 GLN CA C 50 54.062 54.062 53.957 0.105 25495 3123 1 8 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.659 -0.563 25495 3124 1 8 . 1 1 50 50 GLN H H 50 8.025 8.025 8.079 -0.054 25495 3125 1 8 . 1 1 51 51 ASN N N 51 116.752 116.752 120.208 -3.456 25495 3126 1 8 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.130 0.026 25495 3127 1 8 . 1 1 51 51 ASN CA C 51 51.184 51.184 51.132 0.052 25495 3128 1 8 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.058 0.194 25495 3129 1 8 . 1 1 51 51 ASN H H 51 8.706 8.706 8.727 -0.021 25495 3130 1 8 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.617 0.154 25495 3131 1 8 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.936 -0.713 25495 3132 1 8 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.509 -0.493 25495 3133 1 8 . 1 1 53 53 THR N N 53 114.441 114.441 109.174 5.267 25495 3134 1 8 . 1 1 53 53 THR HA H 53 4.623 4.623 4.722 -0.099 25495 3135 1 8 . 1 1 53 53 THR CA C 53 60.314 60.314 58.224 2.090 25495 3136 1 8 . 1 1 53 53 THR CB C 53 68.422 68.422 69.638 -1.216 25495 3137 1 8 . 1 1 53 53 THR H H 53 8.899 8.899 7.438 1.461 25495 3138 1 8 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.095 0.086 25495 3139 1 8 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.906 0.281 25495 3140 1 8 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.667 0.101 25495 3141 1 8 . 1 1 55 55 GLU N N 55 117.303 117.303 116.390 0.913 25495 3142 1 8 . 1 1 55 55 GLU HA H 55 4.025 4.025 3.982 0.043 25495 3143 1 8 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.427 1.083 25495 3144 1 8 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.430 0.336 25495 3145 1 8 . 1 1 55 55 GLU H H 55 8.751 8.751 8.966 -0.215 25495 3146 1 8 . 1 1 56 56 GLU N N 56 121.627 121.627 120.257 1.370 25495 3147 1 8 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.143 -0.146 25495 3148 1 8 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.791 0.409 25495 3149 1 8 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.507 0.542 25495 3150 1 8 . 1 1 56 56 GLU H H 56 7.813 7.813 7.672 0.141 25495 3151 1 8 . 1 1 57 57 LEU N N 57 118.921 118.921 119.701 -0.780 25495 3152 1 8 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.073 -0.041 25495 3153 1 8 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.758 0.016 25495 3154 1 8 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.651 0.997 25495 3155 1 8 . 1 1 57 57 LEU H H 57 8.143 8.143 8.072 0.071 25495 3156 1 8 . 1 1 58 58 GLN N N 58 117.966 117.966 119.367 -1.401 25495 3157 1 8 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.916 -0.210 25495 3158 1 8 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.403 -1.166 25495 3159 1 8 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.571 -0.088 25495 3160 1 8 . 1 1 58 58 GLN H H 58 8.001 8.001 8.527 -0.526 25495 3161 1 8 . 1 1 59 59 GLU N N 59 119.177 119.177 120.303 -1.126 25495 3162 1 8 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.049 -0.008 25495 3163 1 8 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.196 0.442 25495 3164 1 8 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.546 -0.116 25495 3165 1 8 . 1 1 59 59 GLU H H 59 7.935 7.935 7.919 0.016 25495 3166 1 8 . 1 1 60 60 MET N N 60 117.654 117.654 118.449 -0.795 25495 3167 1 8 . 1 1 60 60 MET HA H 60 3.936 3.936 4.121 -0.185 25495 3168 1 8 . 1 1 60 60 MET CA C 60 59.488 59.488 59.520 -0.032 25495 3169 1 8 . 1 1 60 60 MET CB C 60 33.570 33.570 32.797 0.773 25495 3170 1 8 . 1 1 60 60 MET H H 60 7.640 7.640 7.707 -0.067 25495 3171 1 8 . 1 1 61 61 ILE N N 61 118.132 118.132 120.426 -2.294 25495 3172 1 8 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.635 -0.280 25495 3173 1 8 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.302 -0.911 25495 3174 1 8 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.360 0.079 25495 3175 1 8 . 1 1 61 61 ILE H H 61 7.334 7.334 8.134 -0.800 25495 3176 1 8 . 1 1 62 62 ASP N N 62 119.480 119.480 120.199 -0.719 25495 3177 1 8 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.358 -0.084 25495 3178 1 8 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.062 0.362 25495 3179 1 8 . 1 1 62 62 ASP CB C 62 40.307 40.307 39.987 0.320 25495 3180 1 8 . 1 1 62 62 ASP H H 62 8.754 8.754 8.344 0.410 25495 3181 1 8 . 1 1 63 63 GLU N N 63 116.032 116.032 118.163 -2.131 25495 3182 1 8 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.118 -0.087 25495 3183 1 8 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.741 0.077 25495 3184 1 8 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.028 0.431 25495 3185 1 8 . 1 1 63 63 GLU H H 63 7.588 7.588 7.714 -0.126 25495 3186 1 8 . 1 1 64 64 VAL N N 64 107.386 107.386 118.312 -10.926 25495 3187 1 8 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.885 0.641 25495 3188 1 8 . 1 1 64 64 VAL CA C 64 60.594 60.594 65.141 -4.547 25495 3189 1 8 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.032 0.329 25495 3190 1 8 . 1 1 64 64 VAL H H 64 7.222 7.222 7.385 -0.163 25495 3191 1 8 . 1 1 65 65 ASP N N 65 121.993 121.993 120.388 1.605 25495 3192 1 8 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.701 -0.041 25495 3193 1 8 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.126 -0.656 25495 3194 1 8 . 1 1 65 65 ASP CB C 65 40.397 40.397 40.921 -0.524 25495 3195 1 8 . 1 1 65 65 ASP H H 65 7.576 7.576 8.229 -0.653 25495 3196 1 8 . 1 1 66 66 GLU N N 66 128.234 128.234 123.926 4.308 25495 3197 1 8 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.103 0.077 25495 3198 1 8 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.392 0.079 25495 3199 1 8 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.695 1.175 25495 3200 1 8 . 1 1 66 66 GLU H H 66 8.586 8.586 8.787 -0.201 25495 3201 1 8 . 1 1 67 67 ASP N N 67 114.535 114.535 117.751 -3.216 25495 3202 1 8 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.593 0.129 25495 3203 1 8 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.390 -0.962 25495 3204 1 8 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.300 0.037 25495 3205 1 8 . 1 1 67 67 ASP H H 67 7.969 7.969 8.062 -0.093 25495 3206 1 8 . 1 1 68 68 GLY N N 68 108.961 108.961 107.925 1.036 25495 3207 1 8 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.863 1.315 25495 3208 1 8 . 1 1 68 68 GLY H H 68 7.766 7.766 8.043 -0.277 25495 3209 1 8 . 1 1 69 69 SER N N 69 116.683 116.683 116.275 0.408 25495 3210 1 8 . 1 1 69 69 SER HA H 69 4.234 4.234 4.236 -0.002 25495 3211 1 8 . 1 1 69 69 SER CA C 69 60.271 60.271 60.127 0.144 25495 3212 1 8 . 1 1 69 69 SER CB C 69 64.864 64.864 63.846 1.018 25495 3213 1 8 . 1 1 69 69 SER H H 69 8.469 8.469 8.974 -0.505 25495 3214 1 8 . 1 1 70 70 GLY N N 70 116.564 116.564 109.478 7.086 25495 3215 1 8 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.289 0.405 25495 3216 1 8 . 1 1 70 70 GLY H H 70 10.834 10.834 8.299 2.535 25495 3217 1 8 . 1 1 71 71 THR N N 71 107.543 107.543 111.491 -3.948 25495 3218 1 8 . 1 1 71 71 THR HA H 71 4.891 4.891 5.233 -0.342 25495 3219 1 8 . 1 1 71 71 THR CA C 71 58.480 58.480 60.014 -1.534 25495 3220 1 8 . 1 1 71 71 THR CB C 71 73.920 73.920 72.496 1.423 25495 3221 1 8 . 1 1 71 71 THR H H 71 7.651 7.651 7.595 0.056 25495 3222 1 8 . 1 1 72 72 VAL N N 72 126.890 126.890 123.641 3.249 25495 3223 1 8 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.841 0.227 25495 3224 1 8 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.533 0.158 25495 3225 1 8 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.213 0.757 25495 3226 1 8 . 1 1 72 72 VAL H H 72 9.698 9.698 8.828 0.870 25495 3227 1 8 . 1 1 73 73 ASP N N 73 129.120 129.120 128.289 0.831 25495 3228 1 8 . 1 1 73 73 ASP HA H 73 5.154 5.154 4.918 0.236 25495 3229 1 8 . 1 1 73 73 ASP CA C 73 52.448 52.448 51.836 0.613 25495 3230 1 8 . 1 1 73 73 ASP CB C 73 41.552 41.552 41.920 -0.368 25495 3231 1 8 . 1 1 73 73 ASP H H 73 8.807 8.807 8.307 0.500 25495 3232 1 8 . 1 1 74 74 PHE N N 74 118.110 118.110 118.527 -0.417 25495 3233 1 8 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.796 -0.463 25495 3234 1 8 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.932 -1.279 25495 3235 1 8 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.932 -0.392 25495 3236 1 8 . 1 1 74 74 PHE H H 74 8.511 8.511 8.566 -0.055 25495 3237 1 8 . 1 1 75 75 ASP N N 75 117.145 117.145 118.388 -1.243 25495 3238 1 8 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.430 -0.449 25495 3239 1 8 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.860 0.144 25495 3240 1 8 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.060 0.282 25495 3241 1 8 . 1 1 75 75 ASP H H 75 7.601 7.601 8.611 -1.010 25495 3242 1 8 . 1 1 76 76 GLU N N 76 120.605 120.605 119.865 0.740 25495 3243 1 8 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.052 -0.002 25495 3244 1 8 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.011 -0.681 25495 3245 1 8 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.750 0.345 25495 3246 1 8 . 1 1 76 76 GLU H H 76 8.235 8.235 9.581 -1.346 25495 3247 1 8 . 1 1 77 77 PHE N N 77 123.122 123.122 121.921 1.201 25495 3248 1 8 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.152 -0.177 25495 3249 1 8 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.240 0.268 25495 3250 1 8 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.588 0.975 25495 3251 1 8 . 1 1 77 77 PHE H H 77 8.983 8.983 8.483 0.500 25495 3252 1 8 . 1 1 78 78 LEU N N 78 118.537 118.537 119.871 -1.334 25495 3253 1 8 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.390 -0.101 25495 3254 1 8 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.617 -0.508 25495 3255 1 8 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.715 -0.235 25495 3256 1 8 . 1 1 78 78 LEU H H 78 7.842 7.842 8.069 -0.227 25495 3257 1 8 . 1 1 79 79 VAL N N 79 117.650 117.650 116.488 1.162 25495 3258 1 8 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.829 -0.558 25495 3259 1 8 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.132 0.303 25495 3260 1 8 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.637 -0.623 25495 3261 1 8 . 1 1 79 79 VAL H H 79 6.834 6.834 7.634 -0.800 25495 3262 1 8 . 1 1 80 80 MET N N 80 120.117 120.117 120.877 -0.760 25495 3263 1 8 . 1 1 80 80 MET HA H 80 3.550 3.550 4.050 -0.500 25495 3264 1 8 . 1 1 80 80 MET CA C 80 59.506 59.506 59.064 0.442 25495 3265 1 8 . 1 1 80 80 MET CB C 80 34.002 34.002 32.464 1.538 25495 3266 1 8 . 1 1 80 80 MET H H 80 7.990 7.990 7.701 0.289 25495 3267 1 8 . 1 1 81 81 MET N N 81 116.622 116.622 119.532 -2.910 25495 3268 1 8 . 1 1 81 81 MET HA H 81 4.074 4.074 4.129 -0.055 25495 3269 1 8 . 1 1 81 81 MET CA C 81 56.657 56.657 58.233 -1.576 25495 3270 1 8 . 1 1 81 81 MET CB C 81 32.334 32.334 31.844 0.490 25495 3271 1 8 . 1 1 81 81 MET H H 81 8.148 8.148 7.692 0.456 25495 3272 1 8 . 1 1 82 82 VAL N N 82 117.651 117.651 119.382 -1.731 25495 3273 1 8 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.689 0.245 25495 3274 1 8 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.943 -0.766 25495 3275 1 8 . 1 1 82 82 VAL CB C 82 31.243 31.243 30.965 0.278 25495 3276 1 8 . 1 1 82 82 VAL H H 82 8.082 8.082 7.901 0.181 25495 3277 1 8 . 1 1 83 83 ARG N N 83 120.226 120.226 119.401 0.825 25495 3278 1 8 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.062 -0.241 25495 3279 1 8 . 1 1 83 83 ARG CA C 83 59.590 59.590 60.091 -0.501 25495 3280 1 8 . 1 1 83 83 ARG CB C 83 29.982 29.982 29.935 0.047 25495 3281 1 8 . 1 1 83 83 ARG H H 83 8.086 8.086 8.623 -0.537 25495 3282 1 8 . 1 1 84 84 CYS N N 84 115.892 115.892 117.134 -1.242 25495 3283 1 8 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.191 0.243 25495 3284 1 8 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.476 -1.939 25495 3285 1 8 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.283 0.157 25495 3286 1 8 . 1 1 84 84 CYS H H 84 7.754 7.754 8.266 -0.512 25495 3287 1 8 . 1 1 85 85 MET HA H 85 4.416 4.416 4.225 0.191 25495 3288 1 8 . 1 1 85 85 MET CA C 85 57.720 57.720 58.254 -0.534 25495 3289 1 8 . 1 1 85 85 MET CB C 85 34.275 34.275 32.961 1.315 25495 3290 1 8 . 1 1 86 86 LYS N N 86 119.961 119.961 115.698 4.263 25495 3291 1 8 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.234 0.114 25495 3292 1 8 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.905 -0.177 25495 3293 1 8 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.410 -0.041 25495 3294 1 8 . 1 1 86 86 LYS H H 86 7.886 7.886 7.879 0.007 25495 3295 1 8 . 1 1 87 87 ASP N N 87 121.700 121.700 120.264 1.436 25495 3296 1 8 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.440 0.281 25495 3297 1 8 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.072 -0.490 25495 3298 1 8 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.576 -0.274 25495 3299 1 8 . 1 1 87 87 ASP H H 87 8.219 8.219 8.123 0.096 25495 3300 1 8 . 1 1 88 88 ASP N N 88 121.739 121.739 124.680 -2.941 25495 3301 1 8 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.690 0.042 25495 3302 1 8 . 1 1 88 88 ASP CA C 88 54.254 54.254 52.987 1.267 25495 3303 1 8 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.238 1.110 25495 3304 1 8 . 1 1 88 88 ASP H H 88 8.256 8.256 8.348 -0.092 25495 3305 1 9 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.416 0.240 25495 3306 1 9 . 1 1 2 2 ASP CA C 2 54.796 54.796 54.998 -0.202 25495 3307 1 9 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.314 1.310 25495 3308 1 9 . 1 1 3 3 ASP N N 3 122.846 122.846 119.390 3.456 25495 3309 1 9 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.411 0.078 25495 3310 1 9 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.537 -0.712 25495 3311 1 9 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.965 0.456 25495 3312 1 9 . 1 1 3 3 ASP H H 3 8.509 8.509 8.481 0.028 25495 3313 1 9 . 1 1 4 4 ILE N N 4 119.356 119.356 119.730 -0.374 25495 3314 1 9 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.844 0.072 25495 3315 1 9 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.217 0.478 25495 3316 1 9 . 1 1 4 4 ILE CB C 4 37.856 37.856 36.681 1.175 25495 3317 1 9 . 1 1 4 4 ILE H H 4 8.227 8.227 8.184 0.043 25495 3318 1 9 . 1 1 5 5 TYR N N 5 121.143 121.143 121.384 -0.241 25495 3319 1 9 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.037 0.373 25495 3320 1 9 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.339 -2.200 25495 3321 1 9 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.219 -0.431 25495 3322 1 9 . 1 1 5 5 TYR H H 5 7.639 7.639 8.101 -0.462 25495 3323 1 9 . 1 1 6 6 LYS N N 6 120.843 120.843 119.268 1.575 25495 3324 1 9 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.874 0.115 25495 3325 1 9 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.523 0.055 25495 3326 1 9 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.420 -0.101 25495 3327 1 9 . 1 1 6 6 LYS H H 6 7.929 7.929 8.038 -0.109 25495 3328 1 9 . 1 1 7 7 ALA N N 7 120.497 120.497 121.272 -0.775 25495 3329 1 9 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.084 0.060 25495 3330 1 9 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.761 -0.110 25495 3331 1 9 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.274 -0.296 25495 3332 1 9 . 1 1 7 7 ALA H H 7 7.934 7.934 7.681 0.253 25495 3333 1 9 . 1 1 8 8 ALA N N 8 119.953 119.953 121.511 -1.558 25495 3334 1 9 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.933 0.249 25495 3335 1 9 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.969 -0.294 25495 3336 1 9 . 1 1 8 8 ALA CB C 8 18.473 18.473 17.963 0.510 25495 3337 1 9 . 1 1 8 8 ALA H H 8 7.479 7.479 8.203 -0.724 25495 3338 1 9 . 1 1 9 9 VAL N N 9 119.227 119.227 117.258 1.969 25495 3339 1 9 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.461 0.100 25495 3340 1 9 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.364 -0.116 25495 3341 1 9 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.762 0.302 25495 3342 1 9 . 1 1 9 9 VAL H H 9 8.030 8.030 7.368 0.662 25495 3343 1 9 . 1 1 10 10 GLU N N 10 118.451 118.451 116.758 1.693 25495 3344 1 9 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.065 0.052 25495 3345 1 9 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.370 -0.010 25495 3346 1 9 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.863 -0.314 25495 3347 1 9 . 1 1 10 10 GLU H H 10 7.763 7.763 7.425 0.338 25495 3348 1 9 . 1 1 11 11 GLN N N 11 114.938 114.938 119.132 -4.194 25495 3349 1 9 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.074 0.232 25495 3350 1 9 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.898 -1.286 25495 3351 1 9 . 1 1 11 11 GLN CB C 11 29.388 29.388 28.722 0.666 25495 3352 1 9 . 1 1 11 11 GLN H H 11 7.405 7.405 8.136 -0.731 25495 3353 1 9 . 1 1 12 12 LEU N N 12 120.828 120.828 120.486 0.342 25495 3354 1 9 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.051 0.480 25495 3355 1 9 . 1 1 12 12 LEU CA C 12 55.320 55.320 56.484 -1.164 25495 3356 1 9 . 1 1 12 12 LEU CB C 12 43.126 43.126 41.984 1.142 25495 3357 1 9 . 1 1 12 12 LEU H H 12 7.385 7.385 7.532 -0.147 25495 3358 1 9 . 1 1 13 13 THR N N 13 113.928 113.928 117.116 -3.188 25495 3359 1 9 . 1 1 13 13 THR HA H 13 4.445 4.445 4.380 0.065 25495 3360 1 9 . 1 1 13 13 THR CA C 13 60.804 60.804 60.947 -0.143 25495 3361 1 9 . 1 1 13 13 THR CB C 13 71.151 71.151 70.298 0.853 25495 3362 1 9 . 1 1 13 13 THR H H 13 8.930 8.930 8.874 0.056 25495 3363 1 9 . 1 1 14 14 GLU N N 14 121.720 121.720 121.253 0.467 25495 3364 1 9 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.942 0.046 25495 3365 1 9 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.407 -0.449 25495 3366 1 9 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.058 0.217 25495 3367 1 9 . 1 1 14 14 GLU H H 14 9.028 9.028 8.900 0.128 25495 3368 1 9 . 1 1 15 15 GLU N N 15 117.744 117.744 118.891 -1.147 25495 3369 1 9 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.004 0.059 25495 3370 1 9 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.484 0.850 25495 3371 1 9 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.194 -0.034 25495 3372 1 9 . 1 1 15 15 GLU H H 15 8.651 8.651 8.595 0.056 25495 3373 1 9 . 1 1 16 16 GLN N N 16 119.476 119.476 118.129 1.347 25495 3374 1 9 . 1 1 16 16 GLN HA H 16 3.812 3.812 3.895 -0.083 25495 3375 1 9 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.572 0.537 25495 3376 1 9 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.507 0.884 25495 3377 1 9 . 1 1 16 16 GLN H H 16 7.872 7.872 7.616 0.256 25495 3378 1 9 . 1 1 17 17 LYS N N 17 118.609 118.609 119.004 -0.395 25495 3379 1 9 . 1 1 17 17 LYS HA H 17 4.011 4.011 3.808 0.203 25495 3380 1 9 . 1 1 17 17 LYS CA C 17 61.873 61.873 60.523 1.350 25495 3381 1 9 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.014 0.135 25495 3382 1 9 . 1 1 17 17 LYS H H 17 8.572 8.572 8.094 0.478 25495 3383 1 9 . 1 1 18 18 ASN N N 18 117.908 117.908 118.573 -0.665 25495 3384 1 9 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.512 0.052 25495 3385 1 9 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.674 -0.652 25495 3386 1 9 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.604 -0.720 25495 3387 1 9 . 1 1 18 18 ASN H H 18 8.581 8.581 8.185 0.396 25495 3388 1 9 . 1 1 19 19 GLU N N 19 123.446 123.446 120.412 3.034 25495 3389 1 9 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.161 0.017 25495 3390 1 9 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.491 0.435 25495 3391 1 9 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.709 -0.705 25495 3392 1 9 . 1 1 19 19 GLU H H 19 7.993 7.993 8.141 -0.148 25495 3393 1 9 . 1 1 20 20 PHE N N 20 117.821 117.821 119.547 -1.726 25495 3394 1 9 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.633 0.289 25495 3395 1 9 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.125 -0.281 25495 3396 1 9 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.712 -0.810 25495 3397 1 9 . 1 1 20 20 PHE H H 20 8.528 8.528 8.771 -0.243 25495 3398 1 9 . 1 1 21 21 LYS N N 21 122.656 122.656 119.726 2.930 25495 3399 1 9 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.237 -0.208 25495 3400 1 9 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.998 -1.304 25495 3401 1 9 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.405 -0.754 25495 3402 1 9 . 1 1 21 21 LYS H H 21 8.929 8.929 8.692 0.237 25495 3403 1 9 . 1 1 22 22 ALA N N 22 121.479 121.479 122.144 -0.665 25495 3404 1 9 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.176 0.030 25495 3405 1 9 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.148 -0.048 25495 3406 1 9 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.371 -0.505 25495 3407 1 9 . 1 1 22 22 ALA H H 22 7.799 7.799 7.948 -0.149 25495 3408 1 9 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.038 0.045 25495 3409 1 9 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.832 0.329 25495 3410 1 9 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.419 0.578 25495 3411 1 9 . 1 1 24 24 PHE N N 24 121.493 121.493 119.205 2.288 25495 3412 1 9 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.649 -0.176 25495 3413 1 9 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.154 1.272 25495 3414 1 9 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.636 1.143 25495 3415 1 9 . 1 1 24 24 PHE H H 24 9.053 9.053 8.110 0.943 25495 3416 1 9 . 1 1 25 25 ASP N N 25 116.518 116.518 118.569 -2.051 25495 3417 1 9 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.174 0.055 25495 3418 1 9 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.951 -0.926 25495 3419 1 9 . 1 1 25 25 ASP CB C 25 39.863 39.863 41.028 -1.165 25495 3420 1 9 . 1 1 25 25 ASP H H 25 8.512 8.512 8.055 0.457 25495 3421 1 9 . 1 1 26 26 ILE N N 26 119.213 119.213 118.655 0.558 25495 3422 1 9 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.649 0.136 25495 3423 1 9 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.392 -0.704 25495 3424 1 9 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.040 -0.086 25495 3425 1 9 . 1 1 26 26 ILE H H 26 7.221 7.221 7.350 -0.129 25495 3426 1 9 . 1 1 27 27 PHE N N 27 123.265 123.265 119.071 4.194 25495 3427 1 9 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.066 0.672 25495 3428 1 9 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.614 -1.605 25495 3429 1 9 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.548 1.762 25495 3430 1 9 . 1 1 27 27 PHE H H 27 8.287 8.287 8.084 0.203 25495 3431 1 9 . 1 1 28 28 VAL N N 28 106.013 106.013 114.249 -8.236 25495 3432 1 9 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.907 0.066 25495 3433 1 9 . 1 1 28 28 VAL CA C 28 61.298 61.298 62.214 -0.916 25495 3434 1 9 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.299 1.280 25495 3435 1 9 . 1 1 28 28 VAL H H 28 7.544 7.544 7.415 0.129 25495 3436 1 9 . 1 1 29 29 LEU N N 29 125.830 125.830 118.660 7.170 25495 3437 1 9 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.266 -0.190 25495 3438 1 9 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.437 1.079 25495 3439 1 9 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.441 1.136 25495 3440 1 9 . 1 1 29 29 LEU H H 29 7.240 7.240 7.767 -0.527 25495 3441 1 9 . 1 1 30 30 GLY N N 30 112.625 112.625 104.357 8.268 25495 3442 1 9 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.586 0.823 25495 3443 1 9 . 1 1 30 30 GLY H H 30 8.879 8.879 7.923 0.956 25495 3444 1 9 . 1 1 31 31 ALA N N 31 124.424 124.424 123.231 1.193 25495 3445 1 9 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.582 -0.131 25495 3446 1 9 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.324 0.849 25495 3447 1 9 . 1 1 31 31 ALA CB C 31 19.857 19.857 20.784 -0.926 25495 3448 1 9 . 1 1 31 31 ALA H H 31 8.077 8.077 7.801 0.276 25495 3449 1 9 . 1 1 32 32 GLU N N 32 125.293 125.293 122.288 3.005 25495 3450 1 9 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.118 -0.032 25495 3451 1 9 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.659 0.449 25495 3452 1 9 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.724 0.102 25495 3453 1 9 . 1 1 32 32 GLU H H 32 9.216 9.216 8.676 0.540 25495 3454 1 9 . 1 1 33 33 ASP N N 33 115.502 115.502 119.097 -3.595 25495 3455 1 9 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.570 0.139 25495 3456 1 9 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.263 -1.271 25495 3457 1 9 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.707 0.371 25495 3458 1 9 . 1 1 33 33 ASP H H 33 8.177 8.177 8.131 0.046 25495 3459 1 9 . 1 1 34 34 GLY N N 34 105.896 105.896 105.770 0.126 25495 3460 1 9 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.250 1.388 25495 3461 1 9 . 1 1 34 34 GLY H H 34 7.588 7.588 8.550 -0.962 25495 3462 1 9 . 1 1 35 35 CYS N N 35 114.179 114.179 118.526 -4.347 25495 3463 1 9 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.629 0.360 25495 3464 1 9 . 1 1 35 35 CYS CA C 35 57.668 57.668 58.024 -0.356 25495 3465 1 9 . 1 1 35 35 CYS CB C 35 31.737 31.737 29.993 1.744 25495 3466 1 9 . 1 1 35 35 CYS H H 35 7.438 7.438 7.462 -0.024 25495 3467 1 9 . 1 1 36 36 ILE N N 36 119.578 119.578 124.245 -4.667 25495 3468 1 9 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.096 -0.390 25495 3469 1 9 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.403 1.359 25495 3470 1 9 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.036 1.750 25495 3471 1 9 . 1 1 36 36 ILE H H 36 8.847 8.847 8.276 0.571 25495 3472 1 9 . 1 1 37 37 SER N N 37 126.282 126.282 121.748 4.534 25495 3473 1 9 . 1 1 37 37 SER HA H 37 5.059 5.059 5.070 -0.011 25495 3474 1 9 . 1 1 37 37 SER CA C 37 57.226 57.226 56.756 0.470 25495 3475 1 9 . 1 1 37 37 SER CB C 37 66.983 66.983 65.683 1.300 25495 3476 1 9 . 1 1 37 37 SER H H 37 9.462 9.462 9.405 0.057 25495 3477 1 9 . 1 1 38 38 THR N N 38 112.015 112.015 114.611 -2.596 25495 3478 1 9 . 1 1 38 38 THR HA H 38 3.730 3.730 3.964 -0.234 25495 3479 1 9 . 1 1 38 38 THR CA C 38 66.443 66.443 66.428 0.015 25495 3480 1 9 . 1 1 38 38 THR CB C 38 67.740 67.740 68.571 -0.831 25495 3481 1 9 . 1 1 38 38 THR H H 38 8.796 8.796 8.817 -0.021 25495 3482 1 9 . 1 1 39 39 LYS N N 39 123.244 123.244 121.381 1.863 25495 3483 1 9 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.004 0.056 25495 3484 1 9 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.849 -0.292 25495 3485 1 9 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.193 0.047 25495 3486 1 9 . 1 1 39 39 LYS H H 39 8.050 8.050 8.204 -0.154 25495 3487 1 9 . 1 1 40 40 GLU N N 40 119.359 119.359 119.165 0.194 25495 3488 1 9 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.052 0.146 25495 3489 1 9 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.597 1.169 25495 3490 1 9 . 1 1 40 40 GLU CB C 40 29.914 29.914 28.868 1.046 25495 3491 1 9 . 1 1 40 40 GLU H H 40 7.750 7.750 7.795 -0.045 25495 3492 1 9 . 1 1 41 41 LEU N N 41 119.256 119.256 120.267 -1.011 25495 3493 1 9 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.150 0.048 25495 3494 1 9 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.486 0.398 25495 3495 1 9 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.062 1.516 25495 3496 1 9 . 1 1 41 41 LEU H H 41 8.349 8.349 7.971 0.378 25495 3497 1 9 . 1 1 42 42 GLY N N 42 106.053 106.053 107.612 -1.559 25495 3498 1 9 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.351 0.789 25495 3499 1 9 . 1 1 42 42 GLY H H 42 8.503 8.503 8.658 -0.155 25495 3500 1 9 . 1 1 43 43 LYS N N 43 120.946 120.946 122.396 -1.450 25495 3501 1 9 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.103 -0.096 25495 3502 1 9 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.741 1.220 25495 3503 1 9 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.171 0.203 25495 3504 1 9 . 1 1 43 43 LYS H H 43 7.319 7.319 7.530 -0.211 25495 3505 1 9 . 1 1 44 44 VAL N N 44 119.639 119.639 120.933 -1.294 25495 3506 1 9 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.799 -0.204 25495 3507 1 9 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.468 -0.161 25495 3508 1 9 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.601 0.191 25495 3509 1 9 . 1 1 44 44 VAL H H 44 7.570 7.570 7.572 -0.002 25495 3510 1 9 . 1 1 45 45 MET N N 45 116.846 116.846 118.268 -1.422 25495 3511 1 9 . 1 1 45 45 MET HA H 45 4.186 4.186 4.108 0.078 25495 3512 1 9 . 1 1 45 45 MET CA C 45 58.345 58.345 57.908 0.437 25495 3513 1 9 . 1 1 45 45 MET CB C 45 31.125 31.125 31.546 -0.420 25495 3514 1 9 . 1 1 45 45 MET H H 45 8.438 8.438 8.239 0.199 25495 3515 1 9 . 1 1 46 46 ARG N N 46 118.762 118.762 120.147 -1.385 25495 3516 1 9 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.181 0.471 25495 3517 1 9 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.376 -0.025 25495 3518 1 9 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.120 -0.065 25495 3519 1 9 . 1 1 46 46 ARG H H 46 8.114 8.114 7.843 0.271 25495 3520 1 9 . 1 1 47 47 MET N N 47 122.339 122.339 119.527 2.812 25495 3521 1 9 . 1 1 47 47 MET HA H 47 4.225 4.225 4.158 0.067 25495 3522 1 9 . 1 1 47 47 MET CA C 47 59.117 59.117 58.818 0.299 25495 3523 1 9 . 1 1 47 47 MET CB C 47 32.404 32.404 32.649 -0.245 25495 3524 1 9 . 1 1 47 47 MET H H 47 7.889 7.889 7.824 0.065 25495 3525 1 9 . 1 1 48 48 LEU N N 48 117.654 117.654 117.185 0.469 25495 3526 1 9 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.302 0.106 25495 3527 1 9 . 1 1 48 48 LEU CA C 48 54.657 54.657 54.980 -0.323 25495 3528 1 9 . 1 1 48 48 LEU CB C 48 41.779 41.779 41.974 -0.195 25495 3529 1 9 . 1 1 48 48 LEU H H 48 7.516 7.516 7.756 -0.240 25495 3530 1 9 . 1 1 49 49 GLY N N 49 107.494 107.494 106.363 1.131 25495 3531 1 9 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.899 1.000 25495 3532 1 9 . 1 1 49 49 GLY H H 49 7.875 7.875 7.654 0.221 25495 3533 1 9 . 1 1 50 50 GLN N N 50 118.165 118.165 119.627 -1.462 25495 3534 1 9 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.549 -0.045 25495 3535 1 9 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.111 -0.049 25495 3536 1 9 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.231 -0.135 25495 3537 1 9 . 1 1 50 50 GLN H H 50 8.025 8.025 8.254 -0.229 25495 3538 1 9 . 1 1 51 51 ASN N N 51 116.752 116.752 120.741 -3.989 25495 3539 1 9 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.018 0.138 25495 3540 1 9 . 1 1 51 51 ASN CA C 51 51.184 51.184 49.974 1.210 25495 3541 1 9 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.181 0.071 25495 3542 1 9 . 1 1 51 51 ASN H H 51 8.706 8.706 8.555 0.151 25495 3543 1 9 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.761 0.010 25495 3544 1 9 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.389 -0.166 25495 3545 1 9 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.545 -0.529 25495 3546 1 9 . 1 1 53 53 THR N N 53 114.441 114.441 109.621 4.820 25495 3547 1 9 . 1 1 53 53 THR HA H 53 4.623 4.623 4.743 -0.120 25495 3548 1 9 . 1 1 53 53 THR CA C 53 60.314 60.314 58.539 1.775 25495 3549 1 9 . 1 1 53 53 THR CB C 53 68.422 68.422 69.556 -1.134 25495 3550 1 9 . 1 1 53 53 THR H H 53 8.899 8.899 7.876 1.023 25495 3551 1 9 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.324 -0.143 25495 3552 1 9 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.212 0.975 25495 3553 1 9 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.785 -0.017 25495 3554 1 9 . 1 1 55 55 GLU N N 55 117.303 117.303 117.669 -0.366 25495 3555 1 9 . 1 1 55 55 GLU HA H 55 4.025 4.025 3.973 0.052 25495 3556 1 9 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.932 0.578 25495 3557 1 9 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.027 -0.261 25495 3558 1 9 . 1 1 55 55 GLU H H 55 8.751 8.751 8.850 -0.099 25495 3559 1 9 . 1 1 56 56 GLU N N 56 121.627 121.627 119.921 1.706 25495 3560 1 9 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.116 -0.119 25495 3561 1 9 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.631 0.569 25495 3562 1 9 . 1 1 56 56 GLU CB C 56 30.049 30.049 28.796 1.253 25495 3563 1 9 . 1 1 56 56 GLU H H 56 7.813 7.813 8.092 -0.279 25495 3564 1 9 . 1 1 57 57 LEU N N 57 118.921 118.921 121.040 -2.119 25495 3565 1 9 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.089 -0.057 25495 3566 1 9 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.505 0.269 25495 3567 1 9 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.612 1.036 25495 3568 1 9 . 1 1 57 57 LEU H H 57 8.143 8.143 7.599 0.544 25495 3569 1 9 . 1 1 58 58 GLN N N 58 117.966 117.966 118.715 -0.749 25495 3570 1 9 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.974 -0.268 25495 3571 1 9 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.671 -0.434 25495 3572 1 9 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.130 0.353 25495 3573 1 9 . 1 1 58 58 GLN H H 58 8.001 8.001 8.045 -0.044 25495 3574 1 9 . 1 1 59 59 GLU N N 59 119.177 119.177 119.848 -0.671 25495 3575 1 9 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.027 0.014 25495 3576 1 9 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.106 0.532 25495 3577 1 9 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.182 0.248 25495 3578 1 9 . 1 1 59 59 GLU H H 59 7.935 7.935 7.740 0.195 25495 3579 1 9 . 1 1 60 60 MET N N 60 117.654 117.654 119.060 -1.406 25495 3580 1 9 . 1 1 60 60 MET HA H 60 3.936 3.936 4.144 -0.208 25495 3581 1 9 . 1 1 60 60 MET CA C 60 59.488 59.488 59.594 -0.106 25495 3582 1 9 . 1 1 60 60 MET CB C 60 33.570 33.570 32.795 0.775 25495 3583 1 9 . 1 1 60 60 MET H H 60 7.640 7.640 7.777 -0.137 25495 3584 1 9 . 1 1 61 61 ILE N N 61 118.132 118.132 120.177 -2.045 25495 3585 1 9 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.555 -0.200 25495 3586 1 9 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.347 -0.956 25495 3587 1 9 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.549 -0.110 25495 3588 1 9 . 1 1 61 61 ILE H H 61 7.334 7.334 7.612 -0.278 25495 3589 1 9 . 1 1 62 62 ASP N N 62 119.480 119.480 120.012 -0.532 25495 3590 1 9 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.259 0.015 25495 3591 1 9 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.600 -0.176 25495 3592 1 9 . 1 1 62 62 ASP CB C 62 40.307 40.307 41.103 -0.796 25495 3593 1 9 . 1 1 62 62 ASP H H 62 8.754 8.754 7.844 0.910 25495 3594 1 9 . 1 1 63 63 GLU N N 63 116.032 116.032 117.955 -1.923 25495 3595 1 9 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.086 -0.055 25495 3596 1 9 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.839 -0.021 25495 3597 1 9 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.030 0.429 25495 3598 1 9 . 1 1 63 63 GLU H H 63 7.588 7.588 7.713 -0.125 25495 3599 1 9 . 1 1 64 64 VAL N N 64 107.386 107.386 116.805 -9.419 25495 3600 1 9 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.023 0.503 25495 3601 1 9 . 1 1 64 64 VAL CA C 64 60.594 60.594 63.079 -2.485 25495 3602 1 9 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.627 -0.266 25495 3603 1 9 . 1 1 64 64 VAL H H 64 7.222 7.222 7.460 -0.238 25495 3604 1 9 . 1 1 65 65 ASP N N 65 121.993 121.993 119.622 2.371 25495 3605 1 9 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.831 -0.171 25495 3606 1 9 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.863 -0.393 25495 3607 1 9 . 1 1 65 65 ASP CB C 65 40.397 40.397 40.957 -0.560 25495 3608 1 9 . 1 1 65 65 ASP H H 65 7.576 7.576 8.128 -0.552 25495 3609 1 9 . 1 1 66 66 GLU N N 66 128.234 128.234 125.291 2.943 25495 3610 1 9 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.036 0.144 25495 3611 1 9 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.623 -0.152 25495 3612 1 9 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.978 0.892 25495 3613 1 9 . 1 1 66 66 GLU H H 66 8.586 8.586 8.661 -0.075 25495 3614 1 9 . 1 1 67 67 ASP N N 67 114.535 114.535 114.955 -0.420 25495 3615 1 9 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.579 0.143 25495 3616 1 9 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.905 -1.477 25495 3617 1 9 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.291 0.046 25495 3618 1 9 . 1 1 67 67 ASP H H 67 7.969 7.969 8.290 -0.321 25495 3619 1 9 . 1 1 68 68 GLY N N 68 108.961 108.961 107.874 1.087 25495 3620 1 9 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.939 1.239 25495 3621 1 9 . 1 1 68 68 GLY H H 68 7.766 7.766 8.069 -0.303 25495 3622 1 9 . 1 1 69 69 SER N N 69 116.683 116.683 115.059 1.624 25495 3623 1 9 . 1 1 69 69 SER HA H 69 4.234 4.234 4.149 0.085 25495 3624 1 9 . 1 1 69 69 SER CA C 69 60.271 60.271 60.011 0.260 25495 3625 1 9 . 1 1 69 69 SER CB C 69 64.864 64.864 63.898 0.966 25495 3626 1 9 . 1 1 69 69 SER H H 69 8.469 8.469 9.238 -0.769 25495 3627 1 9 . 1 1 70 70 GLY N N 70 116.564 116.564 110.891 5.673 25495 3628 1 9 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.469 0.224 25495 3629 1 9 . 1 1 70 70 GLY H H 70 10.834 10.834 8.566 2.268 25495 3630 1 9 . 1 1 71 71 THR N N 71 107.543 107.543 111.427 -3.884 25495 3631 1 9 . 1 1 71 71 THR HA H 71 4.891 4.891 5.064 -0.173 25495 3632 1 9 . 1 1 71 71 THR CA C 71 58.480 58.480 60.054 -1.574 25495 3633 1 9 . 1 1 71 71 THR CB C 71 73.920 73.920 72.477 1.443 25495 3634 1 9 . 1 1 71 71 THR H H 71 7.651 7.651 7.503 0.148 25495 3635 1 9 . 1 1 72 72 VAL N N 72 126.890 126.890 122.301 4.589 25495 3636 1 9 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.767 0.301 25495 3637 1 9 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.650 1.041 25495 3638 1 9 . 1 1 72 72 VAL CB C 72 33.970 33.970 32.764 1.206 25495 3639 1 9 . 1 1 72 72 VAL H H 72 9.698 9.698 8.760 0.938 25495 3640 1 9 . 1 1 73 73 ASP N N 73 129.120 129.120 127.127 1.993 25495 3641 1 9 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.028 0.126 25495 3642 1 9 . 1 1 73 73 ASP CA C 73 52.448 52.448 53.004 -0.556 25495 3643 1 9 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.458 -1.906 25495 3644 1 9 . 1 1 73 73 ASP H H 73 8.807 8.807 8.014 0.793 25495 3645 1 9 . 1 1 74 74 PHE N N 74 118.110 118.110 119.576 -1.466 25495 3646 1 9 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.767 -0.434 25495 3647 1 9 . 1 1 74 74 PHE CA C 74 61.653 61.653 63.141 -1.488 25495 3648 1 9 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.725 -0.185 25495 3649 1 9 . 1 1 74 74 PHE H H 74 8.511 8.511 8.704 -0.193 25495 3650 1 9 . 1 1 75 75 ASP N N 75 117.145 117.145 118.292 -1.147 25495 3651 1 9 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.434 -0.453 25495 3652 1 9 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.612 -0.608 25495 3653 1 9 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.289 0.052 25495 3654 1 9 . 1 1 75 75 ASP H H 75 7.601 7.601 8.528 -0.927 25495 3655 1 9 . 1 1 76 76 GLU N N 76 120.605 120.605 119.816 0.789 25495 3656 1 9 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.052 -0.002 25495 3657 1 9 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.316 -0.986 25495 3658 1 9 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.544 0.551 25495 3659 1 9 . 1 1 76 76 GLU H H 76 8.235 8.235 8.385 -0.150 25495 3660 1 9 . 1 1 77 77 PHE N N 77 123.122 123.122 121.911 1.211 25495 3661 1 9 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.165 -0.190 25495 3662 1 9 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.090 -0.582 25495 3663 1 9 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.925 0.638 25495 3664 1 9 . 1 1 77 77 PHE H H 77 8.983 8.983 8.637 0.346 25495 3665 1 9 . 1 1 78 78 LEU N N 78 118.537 118.537 118.758 -0.221 25495 3666 1 9 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.659 -0.370 25495 3667 1 9 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.042 0.067 25495 3668 1 9 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.731 -0.251 25495 3669 1 9 . 1 1 78 78 LEU H H 78 7.842 7.842 8.322 -0.480 25495 3670 1 9 . 1 1 79 79 VAL N N 79 117.650 117.650 119.113 -1.463 25495 3671 1 9 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.656 -0.385 25495 3672 1 9 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.745 -0.310 25495 3673 1 9 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.352 -0.338 25495 3674 1 9 . 1 1 79 79 VAL H H 79 6.834 6.834 7.615 -0.781 25495 3675 1 9 . 1 1 80 80 MET N N 80 120.117 120.117 120.550 -0.433 25495 3676 1 9 . 1 1 80 80 MET HA H 80 3.550 3.550 3.940 -0.390 25495 3677 1 9 . 1 1 80 80 MET CA C 80 59.506 59.506 59.513 -0.007 25495 3678 1 9 . 1 1 80 80 MET CB C 80 34.002 34.002 32.345 1.657 25495 3679 1 9 . 1 1 80 80 MET H H 80 7.990 7.990 8.259 -0.269 25495 3680 1 9 . 1 1 81 81 MET N N 81 116.622 116.622 119.094 -2.472 25495 3681 1 9 . 1 1 81 81 MET HA H 81 4.074 4.074 3.885 0.189 25495 3682 1 9 . 1 1 81 81 MET CA C 81 56.657 56.657 59.172 -2.515 25495 3683 1 9 . 1 1 81 81 MET CB C 81 32.334 32.334 32.273 0.061 25495 3684 1 9 . 1 1 81 81 MET H H 81 8.148 8.148 7.656 0.492 25495 3685 1 9 . 1 1 82 82 VAL N N 82 117.651 117.651 119.162 -1.511 25495 3686 1 9 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.636 0.298 25495 3687 1 9 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.889 -0.712 25495 3688 1 9 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.018 0.225 25495 3689 1 9 . 1 1 82 82 VAL H H 82 8.082 8.082 7.926 0.156 25495 3690 1 9 . 1 1 83 83 ARG N N 83 120.226 120.226 120.909 -0.683 25495 3691 1 9 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.224 -0.403 25495 3692 1 9 . 1 1 83 83 ARG CA C 83 59.590 59.590 60.100 -0.510 25495 3693 1 9 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.128 -0.146 25495 3694 1 9 . 1 1 83 83 ARG H H 83 8.086 8.086 8.683 -0.597 25495 3695 1 9 . 1 1 84 84 CYS N N 84 115.892 115.892 116.110 -0.218 25495 3696 1 9 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.107 0.327 25495 3697 1 9 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.074 -1.537 25495 3698 1 9 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.629 -0.189 25495 3699 1 9 . 1 1 84 84 CYS H H 84 7.754 7.754 8.137 -0.383 25495 3700 1 9 . 1 1 85 85 MET HA H 85 4.416 4.416 4.222 0.194 25495 3701 1 9 . 1 1 85 85 MET CA C 85 57.720 57.720 57.748 -0.028 25495 3702 1 9 . 1 1 85 85 MET CB C 85 34.275 34.275 32.974 1.301 25495 3703 1 9 . 1 1 86 86 LYS N N 86 119.961 119.961 118.240 1.721 25495 3704 1 9 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.099 0.249 25495 3705 1 9 . 1 1 86 86 LYS CA C 86 56.728 56.728 58.325 -1.597 25495 3706 1 9 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.497 0.872 25495 3707 1 9 . 1 1 86 86 LYS H H 86 7.886 7.886 7.814 0.072 25495 3708 1 9 . 1 1 87 87 ASP N N 87 121.700 121.700 119.825 1.875 25495 3709 1 9 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.517 0.204 25495 3710 1 9 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.185 -0.603 25495 3711 1 9 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.607 -0.305 25495 3712 1 9 . 1 1 87 87 ASP H H 87 8.219 8.219 8.099 0.120 25495 3713 1 9 . 1 1 88 88 ASP N N 88 121.739 121.739 121.581 0.158 25495 3714 1 9 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.641 0.091 25495 3715 1 9 . 1 1 88 88 ASP CA C 88 54.254 54.254 55.230 -0.976 25495 3716 1 9 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.198 2.150 25495 3717 1 9 . 1 1 88 88 ASP H H 88 8.256 8.256 8.534 -0.278 25495 3718 1 10 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.400 0.256 25495 3719 1 10 . 1 1 2 2 ASP CA C 2 54.796 54.796 57.172 -2.376 25495 3720 1 10 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.928 0.696 25495 3721 1 10 . 1 1 3 3 ASP N N 3 122.846 122.846 120.061 2.785 25495 3722 1 10 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.435 0.054 25495 3723 1 10 . 1 1 3 3 ASP CA C 3 55.825 55.825 57.390 -1.565 25495 3724 1 10 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.352 1.069 25495 3725 1 10 . 1 1 3 3 ASP H H 3 8.509 8.509 8.824 -0.315 25495 3726 1 10 . 1 1 4 4 ILE N N 4 119.356 119.356 120.141 -0.785 25495 3727 1 10 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.759 0.157 25495 3728 1 10 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.542 -0.847 25495 3729 1 10 . 1 1 4 4 ILE CB C 4 37.856 37.856 38.010 -0.154 25495 3730 1 10 . 1 1 4 4 ILE H H 4 8.227 8.227 7.343 0.884 25495 3731 1 10 . 1 1 5 5 TYR N N 5 121.143 121.143 120.832 0.311 25495 3732 1 10 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.933 0.478 25495 3733 1 10 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.406 -2.267 25495 3734 1 10 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.413 -0.625 25495 3735 1 10 . 1 1 5 5 TYR H H 5 7.639 7.639 8.012 -0.373 25495 3736 1 10 . 1 1 6 6 LYS N N 6 120.843 120.843 119.473 1.370 25495 3737 1 10 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.832 0.157 25495 3738 1 10 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.013 0.565 25495 3739 1 10 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.179 0.140 25495 3740 1 10 . 1 1 6 6 LYS H H 6 7.929 7.929 8.548 -0.619 25495 3741 1 10 . 1 1 7 7 ALA N N 7 120.497 120.497 121.288 -0.791 25495 3742 1 10 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.142 0.002 25495 3743 1 10 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.758 -0.107 25495 3744 1 10 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.227 -0.249 25495 3745 1 10 . 1 1 7 7 ALA H H 7 7.934 7.934 7.961 -0.027 25495 3746 1 10 . 1 1 8 8 ALA N N 8 119.953 119.953 121.815 -1.862 25495 3747 1 10 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.930 0.252 25495 3748 1 10 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.783 -0.108 25495 3749 1 10 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.154 0.319 25495 3750 1 10 . 1 1 8 8 ALA H H 8 7.479 7.479 7.915 -0.436 25495 3751 1 10 . 1 1 9 9 VAL N N 9 119.227 119.227 117.488 1.739 25495 3752 1 10 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.428 0.133 25495 3753 1 10 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.662 -0.414 25495 3754 1 10 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.221 0.843 25495 3755 1 10 . 1 1 9 9 VAL H H 9 8.030 8.030 7.462 0.568 25495 3756 1 10 . 1 1 10 10 GLU N N 10 118.451 118.451 117.309 1.142 25495 3757 1 10 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.021 0.096 25495 3758 1 10 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.373 -0.014 25495 3759 1 10 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.483 0.066 25495 3760 1 10 . 1 1 10 10 GLU H H 10 7.763 7.763 7.711 0.052 25495 3761 1 10 . 1 1 11 11 GLN N N 11 114.938 114.938 118.241 -3.303 25495 3762 1 10 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.086 0.220 25495 3763 1 10 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.257 -1.645 25495 3764 1 10 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.248 0.140 25495 3765 1 10 . 1 1 11 11 GLN H H 11 7.405 7.405 7.750 -0.345 25495 3766 1 10 . 1 1 12 12 LEU N N 12 120.828 120.828 120.149 0.679 25495 3767 1 10 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.108 0.423 25495 3768 1 10 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.645 -0.325 25495 3769 1 10 . 1 1 12 12 LEU CB C 12 43.126 43.126 41.709 1.417 25495 3770 1 10 . 1 1 12 12 LEU H H 12 7.385 7.385 7.497 -0.112 25495 3771 1 10 . 1 1 13 13 THR N N 13 113.928 113.928 113.064 0.864 25495 3772 1 10 . 1 1 13 13 THR HA H 13 4.445 4.445 4.361 0.084 25495 3773 1 10 . 1 1 13 13 THR CA C 13 60.804 60.804 61.377 -0.573 25495 3774 1 10 . 1 1 13 13 THR CB C 13 71.151 71.151 70.062 1.089 25495 3775 1 10 . 1 1 13 13 THR H H 13 8.930 8.930 8.069 0.861 25495 3776 1 10 . 1 1 14 14 GLU N N 14 121.720 121.720 121.981 -0.261 25495 3777 1 10 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.946 0.042 25495 3778 1 10 . 1 1 14 14 GLU CA C 14 59.958 59.958 59.513 0.445 25495 3779 1 10 . 1 1 14 14 GLU CB C 14 29.275 29.275 28.969 0.306 25495 3780 1 10 . 1 1 14 14 GLU H H 14 9.028 9.028 8.973 0.055 25495 3781 1 10 . 1 1 15 15 GLU N N 15 117.744 117.744 119.620 -1.876 25495 3782 1 10 . 1 1 15 15 GLU HA H 15 4.063 4.063 3.990 0.073 25495 3783 1 10 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.286 1.049 25495 3784 1 10 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.343 -0.183 25495 3785 1 10 . 1 1 15 15 GLU H H 15 8.651 8.651 8.460 0.191 25495 3786 1 10 . 1 1 16 16 GLN N N 16 119.476 119.476 117.904 1.572 25495 3787 1 10 . 1 1 16 16 GLN HA H 16 3.812 3.812 3.946 -0.134 25495 3788 1 10 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.009 1.100 25495 3789 1 10 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.370 1.021 25495 3790 1 10 . 1 1 16 16 GLN H H 16 7.872 7.872 7.586 0.286 25495 3791 1 10 . 1 1 17 17 LYS N N 17 118.609 118.609 119.652 -1.043 25495 3792 1 10 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.053 -0.042 25495 3793 1 10 . 1 1 17 17 LYS CA C 17 61.873 61.873 58.856 3.017 25495 3794 1 10 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.015 0.134 25495 3795 1 10 . 1 1 17 17 LYS H H 17 8.572 8.572 7.865 0.707 25495 3796 1 10 . 1 1 18 18 ASN N N 18 117.908 117.908 118.822 -0.914 25495 3797 1 10 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.422 0.142 25495 3798 1 10 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.603 -0.581 25495 3799 1 10 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.399 -0.515 25495 3800 1 10 . 1 1 18 18 ASN H H 18 8.581 8.581 8.200 0.381 25495 3801 1 10 . 1 1 19 19 GLU N N 19 123.446 123.446 120.742 2.704 25495 3802 1 10 . 1 1 19 19 GLU HA H 19 4.178 4.178 3.984 0.194 25495 3803 1 10 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.346 0.580 25495 3804 1 10 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.349 -0.345 25495 3805 1 10 . 1 1 19 19 GLU H H 19 7.993 7.993 7.684 0.309 25495 3806 1 10 . 1 1 20 20 PHE N N 20 117.821 117.821 118.170 -0.349 25495 3807 1 10 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.615 0.307 25495 3808 1 10 . 1 1 20 20 PHE CA C 20 59.844 59.844 58.780 1.064 25495 3809 1 10 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.023 -0.121 25495 3810 1 10 . 1 1 20 20 PHE H H 20 8.528 8.528 7.435 1.093 25495 3811 1 10 . 1 1 21 21 LYS N N 21 122.656 122.656 121.470 1.186 25495 3812 1 10 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.175 -0.146 25495 3813 1 10 . 1 1 21 21 LYS CA C 21 58.695 58.695 60.108 -1.413 25495 3814 1 10 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.472 -0.821 25495 3815 1 10 . 1 1 21 21 LYS H H 21 8.929 8.929 8.349 0.580 25495 3816 1 10 . 1 1 22 22 ALA N N 22 121.479 121.479 120.868 0.611 25495 3817 1 10 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.217 -0.011 25495 3818 1 10 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.001 0.099 25495 3819 1 10 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.372 -0.506 25495 3820 1 10 . 1 1 22 22 ALA H H 22 7.799 7.799 7.833 -0.034 25495 3821 1 10 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.171 -0.088 25495 3822 1 10 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.950 0.210 25495 3823 1 10 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.517 0.480 25495 3824 1 10 . 1 1 24 24 PHE N N 24 121.493 121.493 119.101 2.392 25495 3825 1 10 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.834 -0.361 25495 3826 1 10 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.765 0.661 25495 3827 1 10 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.156 0.623 25495 3828 1 10 . 1 1 24 24 PHE H H 24 9.053 9.053 8.693 0.360 25495 3829 1 10 . 1 1 25 25 ASP N N 25 116.518 116.518 119.076 -2.558 25495 3830 1 10 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.515 -0.286 25495 3831 1 10 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.485 -0.460 25495 3832 1 10 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.685 -0.822 25495 3833 1 10 . 1 1 25 25 ASP H H 25 8.512 8.512 8.246 0.266 25495 3834 1 10 . 1 1 26 26 ILE N N 26 119.213 119.213 114.136 5.077 25495 3835 1 10 . 1 1 26 26 ILE HA H 26 3.785 3.785 4.064 -0.279 25495 3836 1 10 . 1 1 26 26 ILE CA C 26 63.688 63.688 63.066 0.622 25495 3837 1 10 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.082 -0.128 25495 3838 1 10 . 1 1 26 26 ILE H H 26 7.221 7.221 7.504 -0.283 25495 3839 1 10 . 1 1 27 27 PHE N N 27 123.265 123.265 122.611 0.654 25495 3840 1 10 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.095 0.643 25495 3841 1 10 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.730 -1.721 25495 3842 1 10 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.161 1.149 25495 3843 1 10 . 1 1 27 27 PHE H H 27 8.287 8.287 8.077 0.210 25495 3844 1 10 . 1 1 28 28 VAL N N 28 106.013 106.013 116.143 -10.130 25495 3845 1 10 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.151 -0.178 25495 3846 1 10 . 1 1 28 28 VAL CA C 28 61.298 61.298 62.666 -1.369 25495 3847 1 10 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.716 1.863 25495 3848 1 10 . 1 1 28 28 VAL H H 28 7.544 7.544 7.515 0.029 25495 3849 1 10 . 1 1 29 29 LEU N N 29 125.830 125.830 120.777 5.053 25495 3850 1 10 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.128 -0.052 25495 3851 1 10 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.429 0.087 25495 3852 1 10 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.707 0.870 25495 3853 1 10 . 1 1 29 29 LEU H H 29 7.240 7.240 7.541 -0.301 25495 3854 1 10 . 1 1 30 30 GLY N N 30 112.625 112.625 103.969 8.656 25495 3855 1 10 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.363 1.046 25495 3856 1 10 . 1 1 30 30 GLY H H 30 8.879 8.879 8.270 0.609 25495 3857 1 10 . 1 1 31 31 ALA N N 31 124.424 124.424 123.828 0.596 25495 3858 1 10 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.627 -0.176 25495 3859 1 10 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.002 1.171 25495 3860 1 10 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.432 0.425 25495 3861 1 10 . 1 1 31 31 ALA H H 31 8.077 8.077 7.978 0.099 25495 3862 1 10 . 1 1 32 32 GLU N N 32 125.293 125.293 123.787 1.506 25495 3863 1 10 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.113 -0.027 25495 3864 1 10 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.600 0.508 25495 3865 1 10 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.650 0.176 25495 3866 1 10 . 1 1 32 32 GLU H H 32 9.216 9.216 8.922 0.294 25495 3867 1 10 . 1 1 33 33 ASP N N 33 115.502 115.502 117.807 -2.305 25495 3868 1 10 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.616 0.093 25495 3869 1 10 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.555 -1.563 25495 3870 1 10 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.885 0.194 25495 3871 1 10 . 1 1 33 33 ASP H H 33 8.177 8.177 8.152 0.025 25495 3872 1 10 . 1 1 34 34 GLY N N 34 105.896 105.896 108.064 -2.168 25495 3873 1 10 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.649 0.989 25495 3874 1 10 . 1 1 34 34 GLY H H 34 7.588 7.588 7.920 -0.332 25495 3875 1 10 . 1 1 35 35 CYS N N 35 114.179 114.179 117.741 -3.562 25495 3876 1 10 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.710 0.279 25495 3877 1 10 . 1 1 35 35 CYS CA C 35 57.668 57.668 56.873 0.795 25495 3878 1 10 . 1 1 35 35 CYS CB C 35 31.737 31.737 31.372 0.365 25495 3879 1 10 . 1 1 35 35 CYS H H 35 7.438 7.438 7.460 -0.022 25495 3880 1 10 . 1 1 36 36 ILE N N 36 119.578 119.578 124.485 -4.907 25495 3881 1 10 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.146 -0.440 25495 3882 1 10 . 1 1 36 36 ILE CA C 36 62.762 62.762 60.045 2.717 25495 3883 1 10 . 1 1 36 36 ILE CB C 36 39.786 39.786 36.002 3.784 25495 3884 1 10 . 1 1 36 36 ILE H H 36 8.847 8.847 8.151 0.696 25495 3885 1 10 . 1 1 37 37 SER N N 37 126.282 126.282 121.968 4.314 25495 3886 1 10 . 1 1 37 37 SER HA H 37 5.059 5.059 4.991 0.068 25495 3887 1 10 . 1 1 37 37 SER CA C 37 57.226 57.226 56.837 0.389 25495 3888 1 10 . 1 1 37 37 SER CB C 37 66.983 66.983 66.567 0.417 25495 3889 1 10 . 1 1 37 37 SER H H 37 9.462 9.462 8.492 0.970 25495 3890 1 10 . 1 1 38 38 THR N N 38 112.015 112.015 116.347 -4.332 25495 3891 1 10 . 1 1 38 38 THR HA H 38 3.730 3.730 3.957 -0.227 25495 3892 1 10 . 1 1 38 38 THR CA C 38 66.443 66.443 66.157 0.286 25495 3893 1 10 . 1 1 38 38 THR CB C 38 67.740 67.740 68.640 -0.900 25495 3894 1 10 . 1 1 38 38 THR H H 38 8.796 8.796 9.004 -0.208 25495 3895 1 10 . 1 1 39 39 LYS N N 39 123.244 123.244 122.436 0.808 25495 3896 1 10 . 1 1 39 39 LYS HA H 39 4.060 4.060 3.986 0.074 25495 3897 1 10 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.913 -0.356 25495 3898 1 10 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.006 0.234 25495 3899 1 10 . 1 1 39 39 LYS H H 39 8.050 8.050 8.110 -0.060 25495 3900 1 10 . 1 1 40 40 GLU N N 40 119.359 119.359 119.207 0.152 25495 3901 1 10 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.109 0.089 25495 3902 1 10 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.181 1.585 25495 3903 1 10 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.490 0.424 25495 3904 1 10 . 1 1 40 40 GLU H H 40 7.750 7.750 7.725 0.025 25495 3905 1 10 . 1 1 41 41 LEU N N 41 119.256 119.256 120.037 -0.781 25495 3906 1 10 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.163 0.035 25495 3907 1 10 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.604 0.280 25495 3908 1 10 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.167 1.411 25495 3909 1 10 . 1 1 41 41 LEU H H 41 8.349 8.349 8.424 -0.075 25495 3910 1 10 . 1 1 42 42 GLY N N 42 106.053 106.053 106.207 -0.154 25495 3911 1 10 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.042 1.098 25495 3912 1 10 . 1 1 42 42 GLY H H 42 8.503 8.503 8.225 0.278 25495 3913 1 10 . 1 1 43 43 LYS N N 43 120.946 120.946 122.924 -1.978 25495 3914 1 10 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.125 -0.118 25495 3915 1 10 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.456 1.505 25495 3916 1 10 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.222 0.152 25495 3917 1 10 . 1 1 43 43 LYS H H 43 7.319 7.319 7.549 -0.230 25495 3918 1 10 . 1 1 44 44 VAL N N 44 119.639 119.639 120.843 -1.204 25495 3919 1 10 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.667 -0.072 25495 3920 1 10 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.291 0.015 25495 3921 1 10 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.348 0.444 25495 3922 1 10 . 1 1 44 44 VAL H H 44 7.570 7.570 7.677 -0.107 25495 3923 1 10 . 1 1 45 45 MET N N 45 116.846 116.846 117.879 -1.033 25495 3924 1 10 . 1 1 45 45 MET HA H 45 4.186 4.186 4.088 0.098 25495 3925 1 10 . 1 1 45 45 MET CA C 45 58.345 58.345 58.158 0.187 25495 3926 1 10 . 1 1 45 45 MET CB C 45 31.125 31.125 31.372 -0.247 25495 3927 1 10 . 1 1 45 45 MET H H 45 8.438 8.438 8.303 0.135 25495 3928 1 10 . 1 1 46 46 ARG N N 46 118.762 118.762 119.617 -0.855 25495 3929 1 10 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.263 0.389 25495 3930 1 10 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.131 0.220 25495 3931 1 10 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.045 0.010 25495 3932 1 10 . 1 1 46 46 ARG H H 46 8.114 8.114 7.742 0.372 25495 3933 1 10 . 1 1 47 47 MET N N 47 122.339 122.339 120.702 1.637 25495 3934 1 10 . 1 1 47 47 MET HA H 47 4.225 4.225 4.161 0.064 25495 3935 1 10 . 1 1 47 47 MET CA C 47 59.117 59.117 58.620 0.497 25495 3936 1 10 . 1 1 47 47 MET CB C 47 32.404 32.404 32.608 -0.204 25495 3937 1 10 . 1 1 47 47 MET H H 47 7.889 7.889 7.662 0.227 25495 3938 1 10 . 1 1 48 48 LEU N N 48 117.654 117.654 116.931 0.723 25495 3939 1 10 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.290 0.118 25495 3940 1 10 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.103 -0.446 25495 3941 1 10 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.158 -0.379 25495 3942 1 10 . 1 1 48 48 LEU H H 48 7.516 7.516 7.696 -0.180 25495 3943 1 10 . 1 1 49 49 GLY N N 49 107.494 107.494 105.898 1.596 25495 3944 1 10 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.745 1.154 25495 3945 1 10 . 1 1 49 49 GLY H H 49 7.875 7.875 7.651 0.224 25495 3946 1 10 . 1 1 50 50 GLN N N 50 118.165 118.165 120.113 -1.948 25495 3947 1 10 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.575 -0.071 25495 3948 1 10 . 1 1 50 50 GLN CA C 50 54.062 54.062 53.851 0.211 25495 3949 1 10 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.614 0.482 25495 3950 1 10 . 1 1 50 50 GLN H H 50 8.025 8.025 8.312 -0.287 25495 3951 1 10 . 1 1 51 51 ASN N N 51 116.752 116.752 118.509 -1.757 25495 3952 1 10 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.037 0.119 25495 3953 1 10 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.439 0.745 25495 3954 1 10 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.228 1.024 25495 3955 1 10 . 1 1 51 51 ASN H H 51 8.706 8.706 8.577 0.129 25495 3956 1 10 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.728 0.043 25495 3957 1 10 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.748 -0.525 25495 3958 1 10 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.664 -0.648 25495 3959 1 10 . 1 1 53 53 THR N N 53 114.441 114.441 108.266 6.175 25495 3960 1 10 . 1 1 53 53 THR HA H 53 4.623 4.623 4.746 -0.123 25495 3961 1 10 . 1 1 53 53 THR CA C 53 60.314 60.314 58.364 1.950 25495 3962 1 10 . 1 1 53 53 THR CB C 53 68.422 68.422 70.432 -2.010 25495 3963 1 10 . 1 1 53 53 THR H H 53 8.899 8.899 8.228 0.671 25495 3964 1 10 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.240 -0.059 25495 3965 1 10 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.162 1.026 25495 3966 1 10 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.836 -0.068 25495 3967 1 10 . 1 1 55 55 GLU N N 55 117.303 117.303 117.946 -0.643 25495 3968 1 10 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.034 -0.009 25495 3969 1 10 . 1 1 55 55 GLU CA C 55 60.510 60.510 60.233 0.277 25495 3970 1 10 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.112 -0.346 25495 3971 1 10 . 1 1 55 55 GLU H H 55 8.751 8.751 9.000 -0.249 25495 3972 1 10 . 1 1 56 56 GLU N N 56 121.627 121.627 119.029 2.598 25495 3973 1 10 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.129 -0.132 25495 3974 1 10 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.566 0.634 25495 3975 1 10 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.181 0.868 25495 3976 1 10 . 1 1 56 56 GLU H H 56 7.813 7.813 8.129 -0.316 25495 3977 1 10 . 1 1 57 57 LEU N N 57 118.921 118.921 121.538 -2.617 25495 3978 1 10 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.015 0.017 25495 3979 1 10 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.786 -0.012 25495 3980 1 10 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.749 0.899 25495 3981 1 10 . 1 1 57 57 LEU H H 57 8.143 8.143 7.745 0.398 25495 3982 1 10 . 1 1 58 58 GLN N N 58 117.966 117.966 119.038 -1.072 25495 3983 1 10 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.927 -0.221 25495 3984 1 10 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.069 -0.832 25495 3985 1 10 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.274 0.209 25495 3986 1 10 . 1 1 58 58 GLN H H 58 8.001 8.001 8.209 -0.208 25495 3987 1 10 . 1 1 59 59 GLU N N 59 119.177 119.177 120.230 -1.053 25495 3988 1 10 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.022 0.019 25495 3989 1 10 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.129 0.509 25495 3990 1 10 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.454 -0.024 25495 3991 1 10 . 1 1 59 59 GLU H H 59 7.935 7.935 7.676 0.259 25495 3992 1 10 . 1 1 60 60 MET N N 60 117.654 117.654 119.909 -2.255 25495 3993 1 10 . 1 1 60 60 MET HA H 60 3.936 3.936 4.111 -0.175 25495 3994 1 10 . 1 1 60 60 MET CA C 60 59.488 59.488 59.320 0.168 25495 3995 1 10 . 1 1 60 60 MET CB C 60 33.570 33.570 32.770 0.800 25495 3996 1 10 . 1 1 60 60 MET H H 60 7.640 7.640 7.691 -0.051 25495 3997 1 10 . 1 1 61 61 ILE N N 61 118.132 118.132 119.195 -1.063 25495 3998 1 10 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.559 -0.204 25495 3999 1 10 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.361 -0.970 25495 4000 1 10 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.549 -0.110 25495 4001 1 10 . 1 1 61 61 ILE H H 61 7.334 7.334 7.729 -0.395 25495 4002 1 10 . 1 1 62 62 ASP N N 62 119.480 119.480 120.336 -0.856 25495 4003 1 10 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.268 0.006 25495 4004 1 10 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.306 0.118 25495 4005 1 10 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.770 -0.463 25495 4006 1 10 . 1 1 62 62 ASP H H 62 8.754 8.754 8.007 0.747 25495 4007 1 10 . 1 1 63 63 GLU N N 63 116.032 116.032 117.751 -1.719 25495 4008 1 10 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.089 -0.058 25495 4009 1 10 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.783 0.035 25495 4010 1 10 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.044 0.415 25495 4011 1 10 . 1 1 63 63 GLU H H 63 7.588 7.588 7.876 -0.288 25495 4012 1 10 . 1 1 64 64 VAL N N 64 107.386 107.386 110.555 -3.169 25495 4013 1 10 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.109 0.417 25495 4014 1 10 . 1 1 64 64 VAL CA C 64 60.594 60.594 62.770 -2.176 25495 4015 1 10 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.144 0.217 25495 4016 1 10 . 1 1 64 64 VAL H H 64 7.222 7.222 7.340 -0.118 25495 4017 1 10 . 1 1 65 65 ASP N N 65 121.993 121.993 121.287 0.706 25495 4018 1 10 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.554 0.106 25495 4019 1 10 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.027 -0.557 25495 4020 1 10 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.355 -0.959 25495 4021 1 10 . 1 1 65 65 ASP H H 65 7.576 7.576 8.223 -0.647 25495 4022 1 10 . 1 1 66 66 GLU N N 66 128.234 128.234 125.080 3.154 25495 4023 1 10 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.029 0.151 25495 4024 1 10 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.822 -0.351 25495 4025 1 10 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.859 1.011 25495 4026 1 10 . 1 1 66 66 GLU H H 66 8.586 8.586 8.630 -0.044 25495 4027 1 10 . 1 1 67 67 ASP N N 67 114.535 114.535 115.635 -1.100 25495 4028 1 10 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.537 0.185 25495 4029 1 10 . 1 1 67 67 ASP CA C 67 52.428 52.428 54.162 -1.734 25495 4030 1 10 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.539 -0.202 25495 4031 1 10 . 1 1 67 67 ASP H H 67 7.969 7.969 7.901 0.068 25495 4032 1 10 . 1 1 68 68 GLY N N 68 108.961 108.961 106.638 2.323 25495 4033 1 10 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.906 1.272 25495 4034 1 10 . 1 1 68 68 GLY H H 68 7.766 7.766 7.635 0.131 25495 4035 1 10 . 1 1 69 69 SER N N 69 116.683 116.683 116.504 0.179 25495 4036 1 10 . 1 1 69 69 SER HA H 69 4.234 4.234 4.222 0.012 25495 4037 1 10 . 1 1 69 69 SER CA C 69 60.271 60.271 59.928 0.343 25495 4038 1 10 . 1 1 69 69 SER CB C 69 64.864 64.864 63.805 1.059 25495 4039 1 10 . 1 1 69 69 SER H H 69 8.469 8.469 9.064 -0.595 25495 4040 1 10 . 1 1 70 70 GLY N N 70 116.564 116.564 111.479 5.085 25495 4041 1 10 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.703 -0.009 25495 4042 1 10 . 1 1 70 70 GLY H H 70 10.834 10.834 8.874 1.960 25495 4043 1 10 . 1 1 71 71 THR N N 71 107.543 107.543 110.729 -3.186 25495 4044 1 10 . 1 1 71 71 THR HA H 71 4.891 4.891 5.399 -0.508 25495 4045 1 10 . 1 1 71 71 THR CA C 71 58.480 58.480 59.553 -1.073 25495 4046 1 10 . 1 1 71 71 THR CB C 71 73.920 73.920 72.762 1.158 25495 4047 1 10 . 1 1 71 71 THR H H 71 7.651 7.651 7.576 0.075 25495 4048 1 10 . 1 1 72 72 VAL N N 72 126.890 126.890 123.457 3.433 25495 4049 1 10 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.906 0.162 25495 4050 1 10 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.721 0.970 25495 4051 1 10 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.188 -0.218 25495 4052 1 10 . 1 1 72 72 VAL H H 72 9.698 9.698 8.412 1.286 25495 4053 1 10 . 1 1 73 73 ASP N N 73 129.120 129.120 125.920 3.200 25495 4054 1 10 . 1 1 73 73 ASP HA H 73 5.154 5.154 4.924 0.230 25495 4055 1 10 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.460 -0.012 25495 4056 1 10 . 1 1 73 73 ASP CB C 73 41.552 41.552 41.928 -0.376 25495 4057 1 10 . 1 1 73 73 ASP H H 73 8.807 8.807 8.058 0.749 25495 4058 1 10 . 1 1 74 74 PHE N N 74 118.110 118.110 118.192 -0.082 25495 4059 1 10 . 1 1 74 74 PHE HA H 74 3.333 3.333 4.006 -0.673 25495 4060 1 10 . 1 1 74 74 PHE CA C 74 61.653 61.653 63.175 -1.522 25495 4061 1 10 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.824 -0.284 25495 4062 1 10 . 1 1 74 74 PHE H H 74 8.511 8.511 8.693 -0.182 25495 4063 1 10 . 1 1 75 75 ASP N N 75 117.145 117.145 118.748 -1.603 25495 4064 1 10 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.452 -0.471 25495 4065 1 10 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.786 0.218 25495 4066 1 10 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.059 0.283 25495 4067 1 10 . 1 1 75 75 ASP H H 75 7.601 7.601 8.664 -1.063 25495 4068 1 10 . 1 1 76 76 GLU N N 76 120.605 120.605 120.403 0.202 25495 4069 1 10 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.038 0.012 25495 4070 1 10 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.166 -0.836 25495 4071 1 10 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.757 0.338 25495 4072 1 10 . 1 1 76 76 GLU H H 76 8.235 8.235 9.520 -1.285 25495 4073 1 10 . 1 1 77 77 PHE N N 77 123.122 123.122 122.259 0.863 25495 4074 1 10 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.157 -0.182 25495 4075 1 10 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.647 -0.139 25495 4076 1 10 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.027 0.536 25495 4077 1 10 . 1 1 77 77 PHE H H 77 8.983 8.983 8.668 0.315 25495 4078 1 10 . 1 1 78 78 LEU N N 78 118.537 118.537 119.056 -0.519 25495 4079 1 10 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.313 -0.024 25495 4080 1 10 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.375 0.734 25495 4081 1 10 . 1 1 78 78 LEU CB C 78 41.480 41.480 40.412 1.068 25495 4082 1 10 . 1 1 78 78 LEU H H 78 7.842 7.842 8.104 -0.262 25495 4083 1 10 . 1 1 79 79 VAL N N 79 117.650 117.650 119.843 -2.193 25495 4084 1 10 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.620 -0.349 25495 4085 1 10 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.861 -0.426 25495 4086 1 10 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.793 -0.779 25495 4087 1 10 . 1 1 79 79 VAL H H 79 6.834 6.834 7.623 -0.789 25495 4088 1 10 . 1 1 80 80 MET N N 80 120.117 120.117 119.754 0.363 25495 4089 1 10 . 1 1 80 80 MET HA H 80 3.550 3.550 4.163 -0.613 25495 4090 1 10 . 1 1 80 80 MET CA C 80 59.506 59.506 57.816 1.690 25495 4091 1 10 . 1 1 80 80 MET CB C 80 34.002 34.002 32.321 1.681 25495 4092 1 10 . 1 1 80 80 MET H H 80 7.990 7.990 8.217 -0.227 25495 4093 1 10 . 1 1 81 81 MET N N 81 116.622 116.622 120.156 -3.534 25495 4094 1 10 . 1 1 81 81 MET HA H 81 4.074 4.074 4.070 0.004 25495 4095 1 10 . 1 1 81 81 MET CA C 81 56.657 56.657 58.152 -1.495 25495 4096 1 10 . 1 1 81 81 MET CB C 81 32.334 32.334 31.712 0.622 25495 4097 1 10 . 1 1 81 81 MET H H 81 8.148 8.148 8.016 0.132 25495 4098 1 10 . 1 1 82 82 VAL N N 82 117.651 117.651 118.835 -1.184 25495 4099 1 10 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.459 0.475 25495 4100 1 10 . 1 1 82 82 VAL CA C 82 66.177 66.177 65.957 0.220 25495 4101 1 10 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.478 -0.235 25495 4102 1 10 . 1 1 82 82 VAL H H 82 8.082 8.082 8.282 -0.200 25495 4103 1 10 . 1 1 83 83 ARG N N 83 120.226 120.226 120.374 -0.148 25495 4104 1 10 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.150 -0.329 25495 4105 1 10 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.750 -0.160 25495 4106 1 10 . 1 1 83 83 ARG CB C 83 29.982 29.982 29.983 -0.001 25495 4107 1 10 . 1 1 83 83 ARG H H 83 8.086 8.086 7.916 0.170 25495 4108 1 10 . 1 1 84 84 CYS N N 84 115.892 115.892 116.628 -0.736 25495 4109 1 10 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.401 0.033 25495 4110 1 10 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.303 -1.766 25495 4111 1 10 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.683 -0.243 25495 4112 1 10 . 1 1 84 84 CYS H H 84 7.754 7.754 8.099 -0.345 25495 4113 1 10 . 1 1 85 85 MET HA H 85 4.416 4.416 4.210 0.206 25495 4114 1 10 . 1 1 85 85 MET CA C 85 57.720 57.720 57.404 0.316 25495 4115 1 10 . 1 1 85 85 MET CB C 85 34.275 34.275 32.323 1.952 25495 4116 1 10 . 1 1 86 86 LYS N N 86 119.961 119.961 117.139 2.822 25495 4117 1 10 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.182 0.166 25495 4118 1 10 . 1 1 86 86 LYS CA C 86 56.728 56.728 57.044 -0.315 25495 4119 1 10 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.664 0.705 25495 4120 1 10 . 1 1 86 86 LYS H H 86 7.886 7.886 7.521 0.365 25495 4121 1 10 . 1 1 87 87 ASP N N 87 121.700 121.700 121.142 0.558 25495 4122 1 10 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.589 0.132 25495 4123 1 10 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.269 -0.687 25495 4124 1 10 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.244 0.058 25495 4125 1 10 . 1 1 87 87 ASP H H 87 8.219 8.219 7.744 0.475 25495 4126 1 10 . 1 1 88 88 ASP N N 88 121.739 121.739 121.727 0.012 25495 4127 1 10 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.771 -0.039 25495 4128 1 10 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.611 0.643 25495 4129 1 10 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.364 0.985 25495 4130 1 10 . 1 1 88 88 ASP H H 88 8.256 8.256 8.676 -0.420 25495 4131 1 11 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.867 -0.211 25495 4132 1 11 . 1 1 2 2 ASP CA C 2 54.796 54.796 55.436 -0.640 25495 4133 1 11 . 1 1 2 2 ASP CB C 2 41.624 41.624 41.733 -0.110 25495 4134 1 11 . 1 1 3 3 ASP N N 3 122.846 122.846 121.862 0.984 25495 4135 1 11 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.557 -0.068 25495 4136 1 11 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.526 -0.701 25495 4137 1 11 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.310 1.111 25495 4138 1 11 . 1 1 3 3 ASP H H 3 8.509 8.509 8.590 -0.081 25495 4139 1 11 . 1 1 4 4 ILE N N 4 119.356 119.356 120.437 -1.081 25495 4140 1 11 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.815 0.101 25495 4141 1 11 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.701 -0.006 25495 4142 1 11 . 1 1 4 4 ILE CB C 4 37.856 37.856 36.621 1.235 25495 4143 1 11 . 1 1 4 4 ILE H H 4 8.227 8.227 8.122 0.105 25495 4144 1 11 . 1 1 5 5 TYR N N 5 121.143 121.143 119.409 1.734 25495 4145 1 11 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.056 0.355 25495 4146 1 11 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.190 -2.051 25495 4147 1 11 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.694 0.094 25495 4148 1 11 . 1 1 5 5 TYR H H 5 7.639 7.639 8.007 -0.368 25495 4149 1 11 . 1 1 6 6 LYS N N 6 120.843 120.843 119.953 0.890 25495 4150 1 11 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.862 0.127 25495 4151 1 11 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.565 0.014 25495 4152 1 11 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.416 -0.097 25495 4153 1 11 . 1 1 6 6 LYS H H 6 7.929 7.929 8.035 -0.106 25495 4154 1 11 . 1 1 7 7 ALA N N 7 120.497 120.497 120.952 -0.455 25495 4155 1 11 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.115 0.029 25495 4156 1 11 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.890 -0.239 25495 4157 1 11 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.085 -0.107 25495 4158 1 11 . 1 1 7 7 ALA H H 7 7.934 7.934 8.086 -0.152 25495 4159 1 11 . 1 1 8 8 ALA N N 8 119.953 119.953 121.875 -1.922 25495 4160 1 11 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.964 0.218 25495 4161 1 11 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.939 -0.264 25495 4162 1 11 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.265 0.208 25495 4163 1 11 . 1 1 8 8 ALA H H 8 7.479 7.479 8.003 -0.524 25495 4164 1 11 . 1 1 9 9 VAL N N 9 119.227 119.227 118.441 0.786 25495 4165 1 11 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.659 -0.098 25495 4166 1 11 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.612 -0.364 25495 4167 1 11 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.669 0.395 25495 4168 1 11 . 1 1 9 9 VAL H H 9 8.030 8.030 8.002 0.028 25495 4169 1 11 . 1 1 10 10 GLU N N 10 118.451 118.451 115.674 2.777 25495 4170 1 11 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.156 -0.039 25495 4171 1 11 . 1 1 10 10 GLU CA C 10 58.360 58.360 57.998 0.362 25495 4172 1 11 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.878 -0.329 25495 4173 1 11 . 1 1 10 10 GLU H H 10 7.763 7.763 7.780 -0.017 25495 4174 1 11 . 1 1 11 11 GLN N N 11 114.938 114.938 118.454 -3.516 25495 4175 1 11 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.142 0.164 25495 4176 1 11 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.114 -1.502 25495 4177 1 11 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.343 0.045 25495 4178 1 11 . 1 1 11 11 GLN H H 11 7.405 7.405 8.021 -0.616 25495 4179 1 11 . 1 1 12 12 LEU N N 12 120.828 120.828 120.287 0.541 25495 4180 1 11 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.204 0.327 25495 4181 1 11 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.487 -0.167 25495 4182 1 11 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.552 0.574 25495 4183 1 11 . 1 1 12 12 LEU H H 12 7.385 7.385 7.669 -0.284 25495 4184 1 11 . 1 1 13 13 THR N N 13 113.928 113.928 112.554 1.374 25495 4185 1 11 . 1 1 13 13 THR HA H 13 4.445 4.445 4.276 0.169 25495 4186 1 11 . 1 1 13 13 THR CA C 13 60.804 60.804 61.185 -0.381 25495 4187 1 11 . 1 1 13 13 THR CB C 13 71.151 71.151 70.419 0.732 25495 4188 1 11 . 1 1 13 13 THR H H 13 8.930 8.930 8.110 0.820 25495 4189 1 11 . 1 1 14 14 GLU N N 14 121.720 121.720 121.483 0.237 25495 4190 1 11 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.997 -0.009 25495 4191 1 11 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.263 -0.305 25495 4192 1 11 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.116 0.159 25495 4193 1 11 . 1 1 14 14 GLU H H 14 9.028 9.028 8.942 0.086 25495 4194 1 11 . 1 1 15 15 GLU N N 15 117.744 117.744 119.616 -1.872 25495 4195 1 11 . 1 1 15 15 GLU HA H 15 4.063 4.063 3.942 0.121 25495 4196 1 11 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.577 0.758 25495 4197 1 11 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.198 -0.038 25495 4198 1 11 . 1 1 15 15 GLU H H 15 8.651 8.651 8.592 0.059 25495 4199 1 11 . 1 1 16 16 GLN N N 16 119.476 119.476 118.724 0.752 25495 4200 1 11 . 1 1 16 16 GLN HA H 16 3.812 3.812 3.726 0.086 25495 4201 1 11 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.393 0.716 25495 4202 1 11 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.265 1.126 25495 4203 1 11 . 1 1 16 16 GLN H H 16 7.872 7.872 7.663 0.209 25495 4204 1 11 . 1 1 17 17 LYS N N 17 118.609 118.609 119.681 -1.072 25495 4205 1 11 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.218 -0.207 25495 4206 1 11 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.068 2.805 25495 4207 1 11 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.120 0.028 25495 4208 1 11 . 1 1 17 17 LYS H H 17 8.572 8.572 8.027 0.545 25495 4209 1 11 . 1 1 18 18 ASN N N 18 117.908 117.908 118.474 -0.566 25495 4210 1 11 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.515 0.049 25495 4211 1 11 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.346 -0.324 25495 4212 1 11 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.410 -0.526 25495 4213 1 11 . 1 1 18 18 ASN H H 18 8.581 8.581 8.393 0.188 25495 4214 1 11 . 1 1 19 19 GLU N N 19 123.446 123.446 120.061 3.385 25495 4215 1 11 . 1 1 19 19 GLU HA H 19 4.178 4.178 3.996 0.182 25495 4216 1 11 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.323 0.603 25495 4217 1 11 . 1 1 19 19 GLU CB C 19 29.004 29.004 28.976 0.028 25495 4218 1 11 . 1 1 19 19 GLU H H 19 7.993 7.993 8.082 -0.090 25495 4219 1 11 . 1 1 20 20 PHE N N 20 117.821 117.821 118.462 -0.641 25495 4220 1 11 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.624 0.298 25495 4221 1 11 . 1 1 20 20 PHE CA C 20 59.844 59.844 59.837 0.007 25495 4222 1 11 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.329 -0.427 25495 4223 1 11 . 1 1 20 20 PHE H H 20 8.528 8.528 7.524 1.004 25495 4224 1 11 . 1 1 21 21 LYS N N 21 122.656 122.656 121.153 1.503 25495 4225 1 11 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.227 -0.198 25495 4226 1 11 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.955 -1.260 25495 4227 1 11 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.572 -0.921 25495 4228 1 11 . 1 1 21 21 LYS H H 21 8.929 8.929 8.738 0.191 25495 4229 1 11 . 1 1 22 22 ALA N N 22 121.479 121.479 121.095 0.384 25495 4230 1 11 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.183 0.023 25495 4231 1 11 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.020 0.080 25495 4232 1 11 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.326 -0.460 25495 4233 1 11 . 1 1 22 22 ALA H H 22 7.799 7.799 8.257 -0.458 25495 4234 1 11 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.129 -0.046 25495 4235 1 11 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.968 0.193 25495 4236 1 11 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.523 0.474 25495 4237 1 11 . 1 1 24 24 PHE N N 24 121.493 121.493 119.163 2.330 25495 4238 1 11 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.788 -0.315 25495 4239 1 11 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.434 0.992 25495 4240 1 11 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.919 0.860 25495 4241 1 11 . 1 1 24 24 PHE H H 24 9.053 9.053 8.293 0.760 25495 4242 1 11 . 1 1 25 25 ASP N N 25 116.518 116.518 119.436 -2.918 25495 4243 1 11 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.248 -0.019 25495 4244 1 11 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.333 -0.307 25495 4245 1 11 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.349 -0.486 25495 4246 1 11 . 1 1 25 25 ASP H H 25 8.512 8.512 8.193 0.319 25495 4247 1 11 . 1 1 26 26 ILE N N 26 119.213 119.213 118.781 0.432 25495 4248 1 11 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.664 0.121 25495 4249 1 11 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.436 -0.748 25495 4250 1 11 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.071 -0.117 25495 4251 1 11 . 1 1 26 26 ILE H H 26 7.221 7.221 7.479 -0.258 25495 4252 1 11 . 1 1 27 27 PHE N N 27 123.265 123.265 118.887 4.378 25495 4253 1 11 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.078 0.660 25495 4254 1 11 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.545 -1.536 25495 4255 1 11 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.651 1.659 25495 4256 1 11 . 1 1 27 27 PHE H H 27 8.287 8.287 8.213 0.074 25495 4257 1 11 . 1 1 28 28 VAL N N 28 106.013 106.013 115.684 -9.671 25495 4258 1 11 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.936 0.037 25495 4259 1 11 . 1 1 28 28 VAL CA C 28 61.298 61.298 62.118 -0.820 25495 4260 1 11 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.459 2.120 25495 4261 1 11 . 1 1 28 28 VAL H H 28 7.544 7.544 7.525 0.019 25495 4262 1 11 . 1 1 29 29 LEU N N 29 125.830 125.830 119.367 6.463 25495 4263 1 11 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.208 -0.132 25495 4264 1 11 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.080 0.437 25495 4265 1 11 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.970 0.607 25495 4266 1 11 . 1 1 29 29 LEU H H 29 7.240 7.240 7.780 -0.540 25495 4267 1 11 . 1 1 30 30 GLY N N 30 112.625 112.625 104.500 8.125 25495 4268 1 11 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.738 0.671 25495 4269 1 11 . 1 1 30 30 GLY H H 30 8.879 8.879 7.938 0.941 25495 4270 1 11 . 1 1 31 31 ALA N N 31 124.424 124.424 124.251 0.173 25495 4271 1 11 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.841 -0.390 25495 4272 1 11 . 1 1 31 31 ALA CA C 31 52.173 52.173 50.878 1.295 25495 4273 1 11 . 1 1 31 31 ALA CB C 31 19.857 19.857 20.140 -0.283 25495 4274 1 11 . 1 1 31 31 ALA H H 31 8.077 8.077 7.834 0.243 25495 4275 1 11 . 1 1 32 32 GLU N N 32 125.293 125.293 123.889 1.404 25495 4276 1 11 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.035 0.051 25495 4277 1 11 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.647 0.461 25495 4278 1 11 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.344 0.482 25495 4279 1 11 . 1 1 32 32 GLU H H 32 9.216 9.216 8.869 0.347 25495 4280 1 11 . 1 1 33 33 ASP N N 33 115.502 115.502 117.491 -1.989 25495 4281 1 11 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.500 0.209 25495 4282 1 11 . 1 1 33 33 ASP CA C 33 52.992 52.992 53.896 -0.904 25495 4283 1 11 . 1 1 33 33 ASP CB C 33 41.078 41.078 39.856 1.222 25495 4284 1 11 . 1 1 33 33 ASP H H 33 8.177 8.177 7.953 0.224 25495 4285 1 11 . 1 1 34 34 GLY N N 34 105.896 105.896 109.217 -3.321 25495 4286 1 11 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.334 1.304 25495 4287 1 11 . 1 1 34 34 GLY H H 34 7.588 7.588 7.747 -0.159 25495 4288 1 11 . 1 1 35 35 CYS N N 35 114.179 114.179 118.051 -3.872 25495 4289 1 11 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.897 0.092 25495 4290 1 11 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.862 -0.194 25495 4291 1 11 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.990 0.747 25495 4292 1 11 . 1 1 35 35 CYS H H 35 7.438 7.438 8.563 -1.125 25495 4293 1 11 . 1 1 36 36 ILE N N 36 119.578 119.578 123.018 -3.440 25495 4294 1 11 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.204 -0.498 25495 4295 1 11 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.334 1.427 25495 4296 1 11 . 1 1 36 36 ILE CB C 36 39.786 39.786 39.084 0.702 25495 4297 1 11 . 1 1 36 36 ILE H H 36 8.847 8.847 8.333 0.514 25495 4298 1 11 . 1 1 37 37 SER N N 37 126.282 126.282 120.761 5.521 25495 4299 1 11 . 1 1 37 37 SER HA H 37 5.059 5.059 4.984 0.075 25495 4300 1 11 . 1 1 37 37 SER CA C 37 57.226 57.226 56.005 1.222 25495 4301 1 11 . 1 1 37 37 SER CB C 37 66.983 66.983 65.267 1.716 25495 4302 1 11 . 1 1 37 37 SER H H 37 9.462 9.462 9.194 0.268 25495 4303 1 11 . 1 1 38 38 THR N N 38 112.015 112.015 115.813 -3.798 25495 4304 1 11 . 1 1 38 38 THR HA H 38 3.730 3.730 4.189 -0.459 25495 4305 1 11 . 1 1 38 38 THR CA C 38 66.443 66.443 65.827 0.616 25495 4306 1 11 . 1 1 38 38 THR CB C 38 67.740 67.740 68.629 -0.889 25495 4307 1 11 . 1 1 38 38 THR H H 38 8.796 8.796 8.707 0.089 25495 4308 1 11 . 1 1 39 39 LYS N N 39 123.244 123.244 121.245 1.999 25495 4309 1 11 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.093 -0.033 25495 4310 1 11 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.941 -0.384 25495 4311 1 11 . 1 1 39 39 LYS CB C 39 32.240 32.240 31.984 0.256 25495 4312 1 11 . 1 1 39 39 LYS H H 39 8.050 8.050 8.274 -0.224 25495 4313 1 11 . 1 1 40 40 GLU N N 40 119.359 119.359 119.337 0.022 25495 4314 1 11 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.123 0.075 25495 4315 1 11 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.757 1.009 25495 4316 1 11 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.144 0.770 25495 4317 1 11 . 1 1 40 40 GLU H H 40 7.750 7.750 8.371 -0.621 25495 4318 1 11 . 1 1 41 41 LEU N N 41 119.256 119.256 120.047 -0.791 25495 4319 1 11 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.149 0.049 25495 4320 1 11 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.597 0.287 25495 4321 1 11 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.778 0.800 25495 4322 1 11 . 1 1 41 41 LEU H H 41 8.349 8.349 8.092 0.257 25495 4323 1 11 . 1 1 42 42 GLY N N 42 106.053 106.053 107.451 -1.398 25495 4324 1 11 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.273 0.867 25495 4325 1 11 . 1 1 42 42 GLY H H 42 8.503 8.503 8.532 -0.029 25495 4326 1 11 . 1 1 43 43 LYS N N 43 120.946 120.946 122.225 -1.279 25495 4327 1 11 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.138 -0.131 25495 4328 1 11 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.815 1.146 25495 4329 1 11 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.212 0.162 25495 4330 1 11 . 1 1 43 43 LYS H H 43 7.319 7.319 7.656 -0.337 25495 4331 1 11 . 1 1 44 44 VAL N N 44 119.639 119.639 121.009 -1.370 25495 4332 1 11 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.684 -0.089 25495 4333 1 11 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.458 -0.152 25495 4334 1 11 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.618 0.174 25495 4335 1 11 . 1 1 44 44 VAL H H 44 7.570 7.570 7.797 -0.227 25495 4336 1 11 . 1 1 45 45 MET N N 45 116.846 116.846 117.995 -1.149 25495 4337 1 11 . 1 1 45 45 MET HA H 45 4.186 4.186 4.060 0.126 25495 4338 1 11 . 1 1 45 45 MET CA C 45 58.345 58.345 59.366 -1.021 25495 4339 1 11 . 1 1 45 45 MET CB C 45 31.125 31.125 32.256 -1.131 25495 4340 1 11 . 1 1 45 45 MET H H 45 8.438 8.438 8.543 -0.105 25495 4341 1 11 . 1 1 46 46 ARG N N 46 118.762 118.762 120.540 -1.778 25495 4342 1 11 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.397 0.255 25495 4343 1 11 . 1 1 46 46 ARG CA C 46 59.351 59.351 58.519 0.832 25495 4344 1 11 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.730 0.325 25495 4345 1 11 . 1 1 46 46 ARG H H 46 8.114 8.114 7.811 0.303 25495 4346 1 11 . 1 1 47 47 MET N N 47 122.339 122.339 120.090 2.249 25495 4347 1 11 . 1 1 47 47 MET HA H 47 4.225 4.225 4.234 -0.009 25495 4348 1 11 . 1 1 47 47 MET CA C 47 59.117 59.117 58.088 1.029 25495 4349 1 11 . 1 1 47 47 MET CB C 47 32.404 32.404 32.497 -0.093 25495 4350 1 11 . 1 1 47 47 MET H H 47 7.889 7.889 7.796 0.093 25495 4351 1 11 . 1 1 48 48 LEU N N 48 117.654 117.654 117.499 0.155 25495 4352 1 11 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.193 0.215 25495 4353 1 11 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.419 -0.762 25495 4354 1 11 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.280 -0.501 25495 4355 1 11 . 1 1 48 48 LEU H H 48 7.516 7.516 7.698 -0.182 25495 4356 1 11 . 1 1 49 49 GLY N N 49 107.494 107.494 105.242 2.252 25495 4357 1 11 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.508 1.391 25495 4358 1 11 . 1 1 49 49 GLY H H 49 7.875 7.875 7.717 0.158 25495 4359 1 11 . 1 1 50 50 GLN N N 50 118.165 118.165 120.229 -2.064 25495 4360 1 11 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.448 0.056 25495 4361 1 11 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.908 -0.846 25495 4362 1 11 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.445 0.651 25495 4363 1 11 . 1 1 50 50 GLN H H 50 8.025 8.025 7.964 0.061 25495 4364 1 11 . 1 1 51 51 ASN N N 51 116.752 116.752 119.949 -3.197 25495 4365 1 11 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.123 0.033 25495 4366 1 11 . 1 1 51 51 ASN CA C 51 51.184 51.184 51.206 -0.022 25495 4367 1 11 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.892 0.360 25495 4368 1 11 . 1 1 51 51 ASN H H 51 8.706 8.706 8.718 -0.012 25495 4369 1 11 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.674 0.097 25495 4370 1 11 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.548 -0.325 25495 4371 1 11 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.842 -0.826 25495 4372 1 11 . 1 1 53 53 THR N N 53 114.441 114.441 107.913 6.528 25495 4373 1 11 . 1 1 53 53 THR HA H 53 4.623 4.623 4.861 -0.238 25495 4374 1 11 . 1 1 53 53 THR CA C 53 60.314 60.314 58.211 2.103 25495 4375 1 11 . 1 1 53 53 THR CB C 53 68.422 68.422 70.862 -2.440 25495 4376 1 11 . 1 1 53 53 THR H H 53 8.899 8.899 7.871 1.028 25495 4377 1 11 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.149 0.032 25495 4378 1 11 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.567 0.620 25495 4379 1 11 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.726 0.042 25495 4380 1 11 . 1 1 55 55 GLU N N 55 117.303 117.303 117.297 0.006 25495 4381 1 11 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.028 -0.003 25495 4382 1 11 . 1 1 55 55 GLU CA C 55 60.510 60.510 60.015 0.495 25495 4383 1 11 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.103 -0.337 25495 4384 1 11 . 1 1 55 55 GLU H H 55 8.751 8.751 9.009 -0.258 25495 4385 1 11 . 1 1 56 56 GLU N N 56 121.627 121.627 120.193 1.434 25495 4386 1 11 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.066 -0.069 25495 4387 1 11 . 1 1 56 56 GLU CA C 56 59.200 59.200 59.178 0.022 25495 4388 1 11 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.628 0.421 25495 4389 1 11 . 1 1 56 56 GLU H H 56 7.813 7.813 7.812 0.001 25495 4390 1 11 . 1 1 57 57 LEU N N 57 118.921 118.921 120.169 -1.248 25495 4391 1 11 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.130 -0.098 25495 4392 1 11 . 1 1 57 57 LEU CA C 57 57.774 57.774 58.233 -0.460 25495 4393 1 11 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.680 0.968 25495 4394 1 11 . 1 1 57 57 LEU H H 57 8.143 8.143 7.747 0.396 25495 4395 1 11 . 1 1 58 58 GLN N N 58 117.966 117.966 119.326 -1.360 25495 4396 1 11 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.951 -0.245 25495 4397 1 11 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.781 -0.544 25495 4398 1 11 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.222 0.261 25495 4399 1 11 . 1 1 58 58 GLN H H 58 8.001 8.001 8.515 -0.514 25495 4400 1 11 . 1 1 59 59 GLU N N 59 119.177 119.177 120.174 -0.997 25495 4401 1 11 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.028 0.013 25495 4402 1 11 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.270 0.368 25495 4403 1 11 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.517 -0.087 25495 4404 1 11 . 1 1 59 59 GLU H H 59 7.935 7.935 8.115 -0.180 25495 4405 1 11 . 1 1 60 60 MET N N 60 117.654 117.654 119.018 -1.364 25495 4406 1 11 . 1 1 60 60 MET HA H 60 3.936 3.936 4.065 -0.129 25495 4407 1 11 . 1 1 60 60 MET CA C 60 59.488 59.488 59.709 -0.221 25495 4408 1 11 . 1 1 60 60 MET CB C 60 33.570 33.570 32.722 0.848 25495 4409 1 11 . 1 1 60 60 MET H H 60 7.640 7.640 8.033 -0.393 25495 4410 1 11 . 1 1 61 61 ILE N N 61 118.132 118.132 119.616 -1.484 25495 4411 1 11 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.549 -0.194 25495 4412 1 11 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.536 -1.145 25495 4413 1 11 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.549 -0.110 25495 4414 1 11 . 1 1 61 61 ILE H H 61 7.334 7.334 7.915 -0.581 25495 4415 1 11 . 1 1 62 62 ASP N N 62 119.480 119.480 120.752 -1.272 25495 4416 1 11 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.342 -0.068 25495 4417 1 11 . 1 1 62 62 ASP CA C 62 57.424 57.424 56.992 0.432 25495 4418 1 11 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.513 -0.206 25495 4419 1 11 . 1 1 62 62 ASP H H 62 8.754 8.754 7.952 0.802 25495 4420 1 11 . 1 1 63 63 GLU N N 63 116.032 116.032 118.463 -2.431 25495 4421 1 11 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.152 -0.121 25495 4422 1 11 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.586 0.232 25495 4423 1 11 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.991 0.468 25495 4424 1 11 . 1 1 63 63 GLU H H 63 7.588 7.588 8.288 -0.700 25495 4425 1 11 . 1 1 64 64 VAL N N 64 107.386 107.386 115.930 -8.544 25495 4426 1 11 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.869 0.657 25495 4427 1 11 . 1 1 64 64 VAL CA C 64 60.594 60.594 64.849 -4.255 25495 4428 1 11 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.148 0.213 25495 4429 1 11 . 1 1 64 64 VAL H H 64 7.222 7.222 7.508 -0.286 25495 4430 1 11 . 1 1 65 65 ASP N N 65 121.993 121.993 119.817 2.176 25495 4431 1 11 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.549 0.111 25495 4432 1 11 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.619 -0.149 25495 4433 1 11 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.498 -1.101 25495 4434 1 11 . 1 1 65 65 ASP H H 65 7.576 7.576 8.191 -0.615 25495 4435 1 11 . 1 1 66 66 GLU N N 66 128.234 128.234 126.051 2.183 25495 4436 1 11 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.107 0.073 25495 4437 1 11 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.519 -0.048 25495 4438 1 11 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.980 0.890 25495 4439 1 11 . 1 1 66 66 GLU H H 66 8.586 8.586 8.660 -0.074 25495 4440 1 11 . 1 1 67 67 ASP N N 67 114.535 114.535 116.870 -2.335 25495 4441 1 11 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.543 0.179 25495 4442 1 11 . 1 1 67 67 ASP CA C 67 52.428 52.428 54.250 -1.822 25495 4443 1 11 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.500 -0.163 25495 4444 1 11 . 1 1 67 67 ASP H H 67 7.969 7.969 7.902 0.067 25495 4445 1 11 . 1 1 68 68 GLY N N 68 108.961 108.961 106.954 2.007 25495 4446 1 11 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.754 1.424 25495 4447 1 11 . 1 1 68 68 GLY H H 68 7.766 7.766 8.083 -0.317 25495 4448 1 11 . 1 1 69 69 SER N N 69 116.683 116.683 115.920 0.763 25495 4449 1 11 . 1 1 69 69 SER HA H 69 4.234 4.234 4.200 0.034 25495 4450 1 11 . 1 1 69 69 SER CA C 69 60.271 60.271 60.124 0.147 25495 4451 1 11 . 1 1 69 69 SER CB C 69 64.864 64.864 63.794 1.071 25495 4452 1 11 . 1 1 69 69 SER H H 69 8.469 8.469 8.644 -0.175 25495 4453 1 11 . 1 1 70 70 GLY N N 70 116.564 116.564 110.442 6.122 25495 4454 1 11 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.632 0.062 25495 4455 1 11 . 1 1 70 70 GLY H H 70 10.834 10.834 8.539 2.295 25495 4456 1 11 . 1 1 71 71 THR N N 71 107.543 107.543 110.890 -3.347 25495 4457 1 11 . 1 1 71 71 THR HA H 71 4.891 4.891 4.829 0.062 25495 4458 1 11 . 1 1 71 71 THR CA C 71 58.480 58.480 59.947 -1.467 25495 4459 1 11 . 1 1 71 71 THR CB C 71 73.920 73.920 72.776 1.144 25495 4460 1 11 . 1 1 71 71 THR H H 71 7.651 7.651 7.463 0.188 25495 4461 1 11 . 1 1 72 72 VAL N N 72 126.890 126.890 122.427 4.463 25495 4462 1 11 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.731 0.337 25495 4463 1 11 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.102 0.589 25495 4464 1 11 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.463 -0.493 25495 4465 1 11 . 1 1 72 72 VAL H H 72 9.698 9.698 8.798 0.900 25495 4466 1 11 . 1 1 73 73 ASP N N 73 129.120 129.120 127.149 1.971 25495 4467 1 11 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.022 0.132 25495 4468 1 11 . 1 1 73 73 ASP CA C 73 52.448 52.448 51.829 0.619 25495 4469 1 11 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.500 -1.948 25495 4470 1 11 . 1 1 73 73 ASP H H 73 8.807 8.807 8.092 0.715 25495 4471 1 11 . 1 1 74 74 PHE N N 74 118.110 118.110 120.602 -2.492 25495 4472 1 11 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.740 -0.407 25495 4473 1 11 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.109 -0.456 25495 4474 1 11 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.219 -0.679 25495 4475 1 11 . 1 1 74 74 PHE H H 74 8.511 8.511 8.592 -0.081 25495 4476 1 11 . 1 1 75 75 ASP N N 75 117.145 117.145 117.667 -0.522 25495 4477 1 11 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.232 -0.251 25495 4478 1 11 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.652 0.352 25495 4479 1 11 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.981 0.361 25495 4480 1 11 . 1 1 75 75 ASP H H 75 7.601 7.601 8.840 -1.239 25495 4481 1 11 . 1 1 76 76 GLU N N 76 120.605 120.605 119.598 1.007 25495 4482 1 11 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.924 0.126 25495 4483 1 11 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.212 -0.882 25495 4484 1 11 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.524 0.571 25495 4485 1 11 . 1 1 76 76 GLU H H 76 8.235 8.235 8.119 0.116 25495 4486 1 11 . 1 1 77 77 PHE N N 77 123.122 123.122 121.986 1.136 25495 4487 1 11 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.093 -0.118 25495 4488 1 11 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.125 -0.617 25495 4489 1 11 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.841 0.722 25495 4490 1 11 . 1 1 77 77 PHE H H 77 8.983 8.983 8.604 0.379 25495 4491 1 11 . 1 1 78 78 LEU N N 78 118.537 118.537 118.397 0.140 25495 4492 1 11 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.298 -0.009 25495 4493 1 11 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.832 0.277 25495 4494 1 11 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.478 0.001 25495 4495 1 11 . 1 1 78 78 LEU H H 78 7.842 7.842 7.717 0.125 25495 4496 1 11 . 1 1 79 79 VAL N N 79 117.650 117.650 119.433 -1.783 25495 4497 1 11 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.562 -0.291 25495 4498 1 11 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.364 0.071 25495 4499 1 11 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.251 -0.237 25495 4500 1 11 . 1 1 79 79 VAL H H 79 6.834 6.834 7.454 -0.620 25495 4501 1 11 . 1 1 80 80 MET N N 80 120.117 120.117 120.622 -0.505 25495 4502 1 11 . 1 1 80 80 MET HA H 80 3.550 3.550 3.904 -0.354 25495 4503 1 11 . 1 1 80 80 MET CA C 80 59.506 59.506 59.202 0.304 25495 4504 1 11 . 1 1 80 80 MET CB C 80 34.002 34.002 32.334 1.668 25495 4505 1 11 . 1 1 80 80 MET H H 80 7.990 7.990 8.186 -0.196 25495 4506 1 11 . 1 1 81 81 MET N N 81 116.622 116.622 118.591 -1.969 25495 4507 1 11 . 1 1 81 81 MET HA H 81 4.074 4.074 4.043 0.031 25495 4508 1 11 . 1 1 81 81 MET CA C 81 56.657 56.657 58.784 -2.127 25495 4509 1 11 . 1 1 81 81 MET CB C 81 32.334 32.334 32.707 -0.373 25495 4510 1 11 . 1 1 81 81 MET H H 81 8.148 8.148 7.317 0.831 25495 4511 1 11 . 1 1 82 82 VAL N N 82 117.651 117.651 119.923 -2.272 25495 4512 1 11 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.440 0.494 25495 4513 1 11 . 1 1 82 82 VAL CA C 82 66.177 66.177 67.217 -1.040 25495 4514 1 11 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.556 -0.313 25495 4515 1 11 . 1 1 82 82 VAL H H 82 8.082 8.082 8.206 -0.124 25495 4516 1 11 . 1 1 83 83 ARG N N 83 120.226 120.226 120.461 -0.235 25495 4517 1 11 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.130 -0.309 25495 4518 1 11 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.581 0.009 25495 4519 1 11 . 1 1 83 83 ARG CB C 83 29.982 29.982 29.758 0.225 25495 4520 1 11 . 1 1 83 83 ARG H H 83 8.086 8.086 8.323 -0.237 25495 4521 1 11 . 1 1 84 84 CYS N N 84 115.892 115.892 115.777 0.115 25495 4522 1 11 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.182 0.252 25495 4523 1 11 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.839 -1.302 25495 4524 1 11 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.072 0.368 25495 4525 1 11 . 1 1 84 84 CYS H H 84 7.754 7.754 7.489 0.265 25495 4526 1 11 . 1 1 85 85 MET HA H 85 4.416 4.416 4.221 0.196 25495 4527 1 11 . 1 1 85 85 MET CA C 85 57.720 57.720 57.901 -0.181 25495 4528 1 11 . 1 1 85 85 MET CB C 85 34.275 34.275 32.885 1.390 25495 4529 1 11 . 1 1 86 86 LYS N N 86 119.961 119.961 118.908 1.053 25495 4530 1 11 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.048 0.300 25495 4531 1 11 . 1 1 86 86 LYS CA C 86 56.728 56.728 58.379 -1.651 25495 4532 1 11 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.210 0.159 25495 4533 1 11 . 1 1 86 86 LYS H H 86 7.886 7.886 8.265 -0.379 25495 4534 1 11 . 1 1 87 87 ASP N N 87 121.700 121.700 117.414 4.286 25495 4535 1 11 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.260 0.461 25495 4536 1 11 . 1 1 87 87 ASP CA C 87 54.582 54.582 56.042 -1.460 25495 4537 1 11 . 1 1 87 87 ASP CB C 87 41.302 41.302 40.659 0.643 25495 4538 1 11 . 1 1 87 87 ASP H H 87 8.219 8.219 8.451 -0.232 25495 4539 1 11 . 1 1 88 88 ASP N N 88 121.739 121.739 120.654 1.085 25495 4540 1 11 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.777 -0.045 25495 4541 1 11 . 1 1 88 88 ASP CA C 88 54.254 54.254 52.956 1.298 25495 4542 1 11 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.517 1.831 25495 4543 1 11 . 1 1 88 88 ASP H H 88 8.256 8.256 8.479 -0.223 25495 4544 1 12 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.305 0.351 25495 4545 1 12 . 1 1 2 2 ASP CA C 2 54.796 54.796 57.218 -2.422 25495 4546 1 12 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.256 1.368 25495 4547 1 12 . 1 1 3 3 ASP N N 3 122.846 122.846 120.034 2.812 25495 4548 1 12 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.466 0.023 25495 4549 1 12 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.745 -0.920 25495 4550 1 12 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.239 1.182 25495 4551 1 12 . 1 1 3 3 ASP H H 3 8.509 8.509 8.677 -0.168 25495 4552 1 12 . 1 1 4 4 ILE N N 4 119.356 119.356 120.200 -0.844 25495 4553 1 12 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.809 0.107 25495 4554 1 12 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.956 -0.261 25495 4555 1 12 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.321 0.535 25495 4556 1 12 . 1 1 4 4 ILE H H 4 8.227 8.227 7.734 0.493 25495 4557 1 12 . 1 1 5 5 TYR N N 5 121.143 121.143 121.032 0.111 25495 4558 1 12 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.863 0.548 25495 4559 1 12 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.878 -2.739 25495 4560 1 12 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.271 -0.483 25495 4561 1 12 . 1 1 5 5 TYR H H 5 7.639 7.639 8.391 -0.752 25495 4562 1 12 . 1 1 6 6 LYS N N 6 120.843 120.843 119.015 1.828 25495 4563 1 12 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.909 0.080 25495 4564 1 12 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.501 0.077 25495 4565 1 12 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.429 -0.110 25495 4566 1 12 . 1 1 6 6 LYS H H 6 7.929 7.929 7.840 0.089 25495 4567 1 12 . 1 1 7 7 ALA N N 7 120.497 120.497 121.582 -1.085 25495 4568 1 12 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.078 0.066 25495 4569 1 12 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.792 -0.141 25495 4570 1 12 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.302 -0.324 25495 4571 1 12 . 1 1 7 7 ALA H H 7 7.934 7.934 7.747 0.187 25495 4572 1 12 . 1 1 8 8 ALA N N 8 119.953 119.953 122.132 -2.179 25495 4573 1 12 . 1 1 8 8 ALA HA H 8 4.182 4.182 4.231 -0.049 25495 4574 1 12 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.797 -0.122 25495 4575 1 12 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.134 0.339 25495 4576 1 12 . 1 1 8 8 ALA H H 8 7.479 7.479 8.409 -0.930 25495 4577 1 12 . 1 1 9 9 VAL N N 9 119.227 119.227 118.396 0.831 25495 4578 1 12 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.456 0.105 25495 4579 1 12 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.215 0.033 25495 4580 1 12 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.692 0.372 25495 4581 1 12 . 1 1 9 9 VAL H H 9 8.030 8.030 7.446 0.584 25495 4582 1 12 . 1 1 10 10 GLU N N 10 118.451 118.451 119.279 -0.828 25495 4583 1 12 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.009 0.108 25495 4584 1 12 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.884 -0.524 25495 4585 1 12 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.894 -0.345 25495 4586 1 12 . 1 1 10 10 GLU H H 10 7.763 7.763 7.707 0.056 25495 4587 1 12 . 1 1 11 11 GLN N N 11 114.938 114.938 116.966 -2.028 25495 4588 1 12 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.077 0.229 25495 4589 1 12 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.326 -1.714 25495 4590 1 12 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.216 0.172 25495 4591 1 12 . 1 1 11 11 GLN H H 11 7.405 7.405 8.127 -0.722 25495 4592 1 12 . 1 1 12 12 LEU N N 12 120.828 120.828 120.687 0.141 25495 4593 1 12 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.078 0.453 25495 4594 1 12 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.479 -0.159 25495 4595 1 12 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.263 0.863 25495 4596 1 12 . 1 1 12 12 LEU H H 12 7.385 7.385 7.538 -0.153 25495 4597 1 12 . 1 1 13 13 THR N N 13 113.928 113.928 114.768 -0.840 25495 4598 1 12 . 1 1 13 13 THR HA H 13 4.445 4.445 4.387 0.058 25495 4599 1 12 . 1 1 13 13 THR CA C 13 60.804 60.804 61.409 -0.605 25495 4600 1 12 . 1 1 13 13 THR CB C 13 71.151 71.151 70.097 1.054 25495 4601 1 12 . 1 1 13 13 THR H H 13 8.930 8.930 7.968 0.962 25495 4602 1 12 . 1 1 14 14 GLU N N 14 121.720 121.720 121.873 -0.153 25495 4603 1 12 . 1 1 14 14 GLU HA H 14 3.988 3.988 4.014 -0.026 25495 4604 1 12 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.300 -0.342 25495 4605 1 12 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.390 -0.115 25495 4606 1 12 . 1 1 14 14 GLU H H 14 9.028 9.028 8.943 0.085 25495 4607 1 12 . 1 1 15 15 GLU N N 15 117.744 117.744 119.656 -1.912 25495 4608 1 12 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.029 0.034 25495 4609 1 12 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.508 0.827 25495 4610 1 12 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.294 -0.134 25495 4611 1 12 . 1 1 15 15 GLU H H 15 8.651 8.651 8.597 0.054 25495 4612 1 12 . 1 1 16 16 GLN N N 16 119.476 119.476 118.037 1.439 25495 4613 1 12 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.208 -0.396 25495 4614 1 12 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.696 0.413 25495 4615 1 12 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.951 0.440 25495 4616 1 12 . 1 1 16 16 GLN H H 16 7.872 7.872 7.651 0.221 25495 4617 1 12 . 1 1 17 17 LYS N N 17 118.609 118.609 119.894 -1.285 25495 4618 1 12 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.208 -0.197 25495 4619 1 12 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.782 2.091 25495 4620 1 12 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.257 -0.108 25495 4621 1 12 . 1 1 17 17 LYS H H 17 8.572 8.572 8.073 0.499 25495 4622 1 12 . 1 1 18 18 ASN N N 18 117.908 117.908 118.676 -0.768 25495 4623 1 12 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.584 -0.020 25495 4624 1 12 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.111 -0.089 25495 4625 1 12 . 1 1 18 18 ASN CB C 18 37.884 37.884 37.913 -0.029 25495 4626 1 12 . 1 1 18 18 ASN H H 18 8.581 8.581 8.518 0.063 25495 4627 1 12 . 1 1 19 19 GLU N N 19 123.446 123.446 121.059 2.387 25495 4628 1 12 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.013 0.165 25495 4629 1 12 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.440 0.486 25495 4630 1 12 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.430 -0.426 25495 4631 1 12 . 1 1 19 19 GLU H H 19 7.993 7.993 7.855 0.138 25495 4632 1 12 . 1 1 20 20 PHE N N 20 117.821 117.821 118.712 -0.891 25495 4633 1 12 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.465 0.457 25495 4634 1 12 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.391 -1.547 25495 4635 1 12 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.886 -0.984 25495 4636 1 12 . 1 1 20 20 PHE H H 20 8.528 8.528 7.946 0.582 25495 4637 1 12 . 1 1 21 21 LYS N N 21 122.656 122.656 120.780 1.876 25495 4638 1 12 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.264 -0.235 25495 4639 1 12 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.967 -1.272 25495 4640 1 12 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.599 -0.948 25495 4641 1 12 . 1 1 21 21 LYS H H 21 8.929 8.929 8.580 0.349 25495 4642 1 12 . 1 1 22 22 ALA N N 22 121.479 121.479 121.025 0.454 25495 4643 1 12 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.189 0.017 25495 4644 1 12 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.972 0.128 25495 4645 1 12 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.346 -0.480 25495 4646 1 12 . 1 1 22 22 ALA H H 22 7.799 7.799 8.065 -0.266 25495 4647 1 12 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.118 -0.035 25495 4648 1 12 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.899 0.262 25495 4649 1 12 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.395 0.602 25495 4650 1 12 . 1 1 24 24 PHE N N 24 121.493 121.493 119.138 2.355 25495 4651 1 12 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.602 -0.129 25495 4652 1 12 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.498 0.928 25495 4653 1 12 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.000 0.779 25495 4654 1 12 . 1 1 24 24 PHE H H 24 9.053 9.053 8.074 0.979 25495 4655 1 12 . 1 1 25 25 ASP N N 25 116.518 116.518 119.359 -2.841 25495 4656 1 12 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.274 -0.045 25495 4657 1 12 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.337 -0.312 25495 4658 1 12 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.412 -0.549 25495 4659 1 12 . 1 1 25 25 ASP H H 25 8.512 8.512 7.969 0.543 25495 4660 1 12 . 1 1 26 26 ILE N N 26 119.213 119.213 118.725 0.488 25495 4661 1 12 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.719 0.066 25495 4662 1 12 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.303 -0.615 25495 4663 1 12 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.167 -0.213 25495 4664 1 12 . 1 1 26 26 ILE H H 26 7.221 7.221 7.468 -0.247 25495 4665 1 12 . 1 1 27 27 PHE N N 27 123.265 123.265 120.944 2.321 25495 4666 1 12 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.106 0.632 25495 4667 1 12 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.234 -1.226 25495 4668 1 12 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.038 1.272 25495 4669 1 12 . 1 1 27 27 PHE H H 27 8.287 8.287 8.343 -0.056 25495 4670 1 12 . 1 1 28 28 VAL N N 28 106.013 106.013 114.918 -8.905 25495 4671 1 12 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.034 -0.061 25495 4672 1 12 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.660 -0.362 25495 4673 1 12 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.751 1.828 25495 4674 1 12 . 1 1 28 28 VAL H H 28 7.544 7.544 7.523 0.021 25495 4675 1 12 . 1 1 29 29 LEU N N 29 125.830 125.830 118.673 7.157 25495 4676 1 12 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.382 -0.306 25495 4677 1 12 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.512 1.004 25495 4678 1 12 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.641 0.936 25495 4679 1 12 . 1 1 29 29 LEU H H 29 7.240 7.240 7.763 -0.523 25495 4680 1 12 . 1 1 30 30 GLY N N 30 112.625 112.625 104.544 8.081 25495 4681 1 12 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.643 0.766 25495 4682 1 12 . 1 1 30 30 GLY H H 30 8.879 8.879 7.948 0.931 25495 4683 1 12 . 1 1 31 31 ALA N N 31 124.424 124.424 123.016 1.408 25495 4684 1 12 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.607 -0.156 25495 4685 1 12 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.153 1.020 25495 4686 1 12 . 1 1 31 31 ALA CB C 31 19.857 19.857 20.632 -0.775 25495 4687 1 12 . 1 1 31 31 ALA H H 31 8.077 8.077 7.688 0.389 25495 4688 1 12 . 1 1 32 32 GLU N N 32 125.293 125.293 121.946 3.347 25495 4689 1 12 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.222 -0.136 25495 4690 1 12 . 1 1 32 32 GLU CA C 32 59.108 59.108 57.844 1.264 25495 4691 1 12 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.676 0.150 25495 4692 1 12 . 1 1 32 32 GLU H H 32 9.216 9.216 8.779 0.437 25495 4693 1 12 . 1 1 33 33 ASP N N 33 115.502 115.502 118.886 -3.384 25495 4694 1 12 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.737 -0.028 25495 4695 1 12 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.205 -1.213 25495 4696 1 12 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.687 0.391 25495 4697 1 12 . 1 1 33 33 ASP H H 33 8.177 8.177 8.209 -0.032 25495 4698 1 12 . 1 1 34 34 GLY N N 34 105.896 105.896 108.210 -2.314 25495 4699 1 12 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.842 0.796 25495 4700 1 12 . 1 1 34 34 GLY H H 34 7.588 7.588 7.989 -0.401 25495 4701 1 12 . 1 1 35 35 CYS N N 35 114.179 114.179 116.556 -2.377 25495 4702 1 12 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.936 0.053 25495 4703 1 12 . 1 1 35 35 CYS CA C 35 57.668 57.668 55.766 1.902 25495 4704 1 12 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.660 1.077 25495 4705 1 12 . 1 1 35 35 CYS H H 35 7.438 7.438 7.331 0.107 25495 4706 1 12 . 1 1 36 36 ILE N N 36 119.578 119.578 122.840 -3.262 25495 4707 1 12 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.415 -0.709 25495 4708 1 12 . 1 1 36 36 ILE CA C 36 62.762 62.762 60.862 1.900 25495 4709 1 12 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.678 1.108 25495 4710 1 12 . 1 1 36 36 ILE H H 36 8.847 8.847 8.172 0.675 25495 4711 1 12 . 1 1 37 37 SER N N 37 126.282 126.282 121.455 4.827 25495 4712 1 12 . 1 1 37 37 SER HA H 37 5.059 5.059 5.089 -0.030 25495 4713 1 12 . 1 1 37 37 SER CA C 37 57.226 57.226 56.355 0.872 25495 4714 1 12 . 1 1 37 37 SER CB C 37 66.983 66.983 66.314 0.669 25495 4715 1 12 . 1 1 37 37 SER H H 37 9.462 9.462 7.908 1.554 25495 4716 1 12 . 1 1 38 38 THR N N 38 112.015 112.015 112.949 -0.934 25495 4717 1 12 . 1 1 38 38 THR HA H 38 3.730 3.730 4.088 -0.358 25495 4718 1 12 . 1 1 38 38 THR CA C 38 66.443 66.443 65.784 0.659 25495 4719 1 12 . 1 1 38 38 THR CB C 38 67.740 67.740 68.510 -0.770 25495 4720 1 12 . 1 1 38 38 THR H H 38 8.796 8.796 8.757 0.039 25495 4721 1 12 . 1 1 39 39 LYS N N 39 123.244 123.244 120.675 2.569 25495 4722 1 12 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.011 0.049 25495 4723 1 12 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.275 0.282 25495 4724 1 12 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.377 -0.137 25495 4725 1 12 . 1 1 39 39 LYS H H 39 8.050 8.050 7.579 0.471 25495 4726 1 12 . 1 1 40 40 GLU N N 40 119.359 119.359 119.660 -0.301 25495 4727 1 12 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.176 0.022 25495 4728 1 12 . 1 1 40 40 GLU CA C 40 60.766 60.766 58.662 2.104 25495 4729 1 12 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.584 0.330 25495 4730 1 12 . 1 1 40 40 GLU H H 40 7.750 7.750 7.645 0.105 25495 4731 1 12 . 1 1 41 41 LEU N N 41 119.256 119.256 120.354 -1.098 25495 4732 1 12 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.308 -0.110 25495 4733 1 12 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.186 0.698 25495 4734 1 12 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.718 0.860 25495 4735 1 12 . 1 1 41 41 LEU H H 41 8.349 8.349 8.484 -0.135 25495 4736 1 12 . 1 1 42 42 GLY N N 42 106.053 106.053 107.656 -1.603 25495 4737 1 12 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.200 0.940 25495 4738 1 12 . 1 1 42 42 GLY H H 42 8.503 8.503 8.094 0.409 25495 4739 1 12 . 1 1 43 43 LYS N N 43 120.946 120.946 121.918 -0.972 25495 4740 1 12 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.076 -0.069 25495 4741 1 12 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.954 1.007 25495 4742 1 12 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.076 0.298 25495 4743 1 12 . 1 1 43 43 LYS H H 43 7.319 7.319 7.615 -0.296 25495 4744 1 12 . 1 1 44 44 VAL N N 44 119.639 119.639 120.619 -0.980 25495 4745 1 12 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.642 -0.047 25495 4746 1 12 . 1 1 44 44 VAL CA C 44 66.306 66.306 65.942 0.364 25495 4747 1 12 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.229 0.563 25495 4748 1 12 . 1 1 44 44 VAL H H 44 7.570 7.570 7.448 0.122 25495 4749 1 12 . 1 1 45 45 MET N N 45 116.846 116.846 117.782 -0.936 25495 4750 1 12 . 1 1 45 45 MET HA H 45 4.186 4.186 4.009 0.177 25495 4751 1 12 . 1 1 45 45 MET CA C 45 58.345 58.345 57.922 0.423 25495 4752 1 12 . 1 1 45 45 MET CB C 45 31.125 31.125 31.435 -0.310 25495 4753 1 12 . 1 1 45 45 MET H H 45 8.438 8.438 7.839 0.599 25495 4754 1 12 . 1 1 46 46 ARG N N 46 118.762 118.762 120.585 -1.823 25495 4755 1 12 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.061 0.591 25495 4756 1 12 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.317 0.034 25495 4757 1 12 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.127 -0.072 25495 4758 1 12 . 1 1 46 46 ARG H H 46 8.114 8.114 7.663 0.451 25495 4759 1 12 . 1 1 47 47 MET N N 47 122.339 122.339 119.307 3.032 25495 4760 1 12 . 1 1 47 47 MET HA H 47 4.225 4.225 4.208 0.017 25495 4761 1 12 . 1 1 47 47 MET CA C 47 59.117 59.117 58.039 1.078 25495 4762 1 12 . 1 1 47 47 MET CB C 47 32.404 32.404 32.163 0.241 25495 4763 1 12 . 1 1 47 47 MET H H 47 7.889 7.889 7.742 0.147 25495 4764 1 12 . 1 1 48 48 LEU N N 48 117.654 117.654 116.652 1.002 25495 4765 1 12 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.346 0.062 25495 4766 1 12 . 1 1 48 48 LEU CA C 48 54.657 54.657 54.914 -0.257 25495 4767 1 12 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.081 -0.302 25495 4768 1 12 . 1 1 48 48 LEU H H 48 7.516 7.516 7.638 -0.122 25495 4769 1 12 . 1 1 49 49 GLY N N 49 107.494 107.494 106.885 0.609 25495 4770 1 12 . 1 1 49 49 GLY CA C 49 45.899 45.899 45.103 0.796 25495 4771 1 12 . 1 1 49 49 GLY H H 49 7.875 7.875 7.808 0.067 25495 4772 1 12 . 1 1 50 50 GLN N N 50 118.165 118.165 119.621 -1.456 25495 4773 1 12 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.461 0.043 25495 4774 1 12 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.594 -0.532 25495 4775 1 12 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.275 -0.179 25495 4776 1 12 . 1 1 50 50 GLN H H 50 8.025 8.025 7.963 0.062 25495 4777 1 12 . 1 1 51 51 ASN N N 51 116.752 116.752 120.115 -3.363 25495 4778 1 12 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.018 0.138 25495 4779 1 12 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.609 0.575 25495 4780 1 12 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.231 0.021 25495 4781 1 12 . 1 1 51 51 ASN H H 51 8.706 8.706 8.625 0.081 25495 4782 1 12 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.712 0.059 25495 4783 1 12 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.564 -0.341 25495 4784 1 12 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.271 -0.255 25495 4785 1 12 . 1 1 53 53 THR N N 53 114.441 114.441 110.574 3.867 25495 4786 1 12 . 1 1 53 53 THR HA H 53 4.623 4.623 4.658 -0.035 25495 4787 1 12 . 1 1 53 53 THR CA C 53 60.314 60.314 59.635 0.679 25495 4788 1 12 . 1 1 53 53 THR CB C 53 68.422 68.422 69.221 -0.798 25495 4789 1 12 . 1 1 53 53 THR H H 53 8.899 8.899 8.003 0.896 25495 4790 1 12 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.227 -0.046 25495 4791 1 12 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.331 0.856 25495 4792 1 12 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.779 -0.011 25495 4793 1 12 . 1 1 55 55 GLU N N 55 117.303 117.303 118.019 -0.716 25495 4794 1 12 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.056 -0.031 25495 4795 1 12 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.809 0.701 25495 4796 1 12 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.021 -0.255 25495 4797 1 12 . 1 1 55 55 GLU H H 55 8.751 8.751 8.989 -0.238 25495 4798 1 12 . 1 1 56 56 GLU N N 56 121.627 121.627 119.789 1.838 25495 4799 1 12 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.270 -0.273 25495 4800 1 12 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.889 0.312 25495 4801 1 12 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.574 0.475 25495 4802 1 12 . 1 1 56 56 GLU H H 56 7.813 7.813 7.595 0.218 25495 4803 1 12 . 1 1 57 57 LEU N N 57 118.921 118.921 119.490 -0.569 25495 4804 1 12 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.160 -0.128 25495 4805 1 12 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.634 0.140 25495 4806 1 12 . 1 1 57 57 LEU CB C 57 42.648 42.648 40.882 1.766 25495 4807 1 12 . 1 1 57 57 LEU H H 57 8.143 8.143 7.438 0.705 25495 4808 1 12 . 1 1 58 58 GLN N N 58 117.966 117.966 119.540 -1.574 25495 4809 1 12 . 1 1 58 58 GLN HA H 58 3.706 3.706 4.014 -0.308 25495 4810 1 12 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.626 -0.389 25495 4811 1 12 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.111 0.372 25495 4812 1 12 . 1 1 58 58 GLN H H 58 8.001 8.001 7.975 0.026 25495 4813 1 12 . 1 1 59 59 GLU N N 59 119.177 119.177 120.420 -1.243 25495 4814 1 12 . 1 1 59 59 GLU HA H 59 4.041 4.041 3.985 0.056 25495 4815 1 12 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.380 0.258 25495 4816 1 12 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.392 0.038 25495 4817 1 12 . 1 1 59 59 GLU H H 59 7.935 7.935 7.787 0.148 25495 4818 1 12 . 1 1 60 60 MET N N 60 117.654 117.654 118.771 -1.117 25495 4819 1 12 . 1 1 60 60 MET HA H 60 3.936 3.936 4.134 -0.198 25495 4820 1 12 . 1 1 60 60 MET CA C 60 59.488 59.488 59.746 -0.258 25495 4821 1 12 . 1 1 60 60 MET CB C 60 33.570 33.570 32.944 0.626 25495 4822 1 12 . 1 1 60 60 MET H H 60 7.640 7.640 7.910 -0.270 25495 4823 1 12 . 1 1 61 61 ILE N N 61 118.132 118.132 120.350 -2.218 25495 4824 1 12 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.637 -0.282 25495 4825 1 12 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.442 -1.051 25495 4826 1 12 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.535 -0.096 25495 4827 1 12 . 1 1 61 61 ILE H H 61 7.334 7.334 7.850 -0.516 25495 4828 1 12 . 1 1 62 62 ASP N N 62 119.480 119.480 120.422 -0.942 25495 4829 1 12 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.356 -0.082 25495 4830 1 12 . 1 1 62 62 ASP CA C 62 57.424 57.424 56.982 0.442 25495 4831 1 12 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.427 -0.120 25495 4832 1 12 . 1 1 62 62 ASP H H 62 8.754 8.754 8.326 0.428 25495 4833 1 12 . 1 1 63 63 GLU N N 63 116.032 116.032 119.214 -3.182 25495 4834 1 12 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.044 -0.013 25495 4835 1 12 . 1 1 63 63 GLU CA C 63 58.818 58.818 59.199 -0.381 25495 4836 1 12 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.172 0.287 25495 4837 1 12 . 1 1 63 63 GLU H H 63 7.588 7.588 8.080 -0.492 25495 4838 1 12 . 1 1 64 64 VAL N N 64 107.386 107.386 112.951 -5.565 25495 4839 1 12 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.993 0.533 25495 4840 1 12 . 1 1 64 64 VAL CA C 64 60.594 60.594 63.756 -3.162 25495 4841 1 12 . 1 1 64 64 VAL CB C 64 32.361 32.361 31.493 0.868 25495 4842 1 12 . 1 1 64 64 VAL H H 64 7.222 7.222 7.483 -0.261 25495 4843 1 12 . 1 1 65 65 ASP N N 65 121.993 121.993 122.192 -0.199 25495 4844 1 12 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.614 0.046 25495 4845 1 12 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.882 -1.411 25495 4846 1 12 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.038 -0.641 25495 4847 1 12 . 1 1 65 65 ASP H H 65 7.576 7.576 8.085 -0.509 25495 4848 1 12 . 1 1 66 66 GLU N N 66 128.234 128.234 125.542 2.692 25495 4849 1 12 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.119 0.061 25495 4850 1 12 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.952 -0.480 25495 4851 1 12 . 1 1 66 66 GLU CB C 66 30.870 30.870 30.006 0.864 25495 4852 1 12 . 1 1 66 66 GLU H H 66 8.586 8.586 8.738 -0.152 25495 4853 1 12 . 1 1 67 67 ASP N N 67 114.535 114.535 116.906 -2.371 25495 4854 1 12 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.588 0.134 25495 4855 1 12 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.635 -1.207 25495 4856 1 12 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.449 -0.112 25495 4857 1 12 . 1 1 67 67 ASP H H 67 7.969 7.969 8.151 -0.182 25495 4858 1 12 . 1 1 68 68 GLY N N 68 108.961 108.961 107.694 1.267 25495 4859 1 12 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.780 1.398 25495 4860 1 12 . 1 1 68 68 GLY H H 68 7.766 7.766 8.040 -0.274 25495 4861 1 12 . 1 1 69 69 SER N N 69 116.683 116.683 115.854 0.829 25495 4862 1 12 . 1 1 69 69 SER HA H 69 4.234 4.234 4.182 0.052 25495 4863 1 12 . 1 1 69 69 SER CA C 69 60.271 60.271 59.636 0.635 25495 4864 1 12 . 1 1 69 69 SER CB C 69 64.864 64.864 63.967 0.897 25495 4865 1 12 . 1 1 69 69 SER H H 69 8.469 8.469 8.680 -0.211 25495 4866 1 12 . 1 1 70 70 GLY N N 70 116.564 116.564 109.426 7.138 25495 4867 1 12 . 1 1 70 70 GLY CA C 70 45.694 45.694 44.945 0.749 25495 4868 1 12 . 1 1 70 70 GLY H H 70 10.834 10.834 8.188 2.646 25495 4869 1 12 . 1 1 71 71 THR N N 71 107.543 107.543 111.417 -3.874 25495 4870 1 12 . 1 1 71 71 THR HA H 71 4.891 4.891 5.030 -0.139 25495 4871 1 12 . 1 1 71 71 THR CA C 71 58.480 58.480 60.121 -1.641 25495 4872 1 12 . 1 1 71 71 THR CB C 71 73.920 73.920 72.475 1.445 25495 4873 1 12 . 1 1 71 71 THR H H 71 7.651 7.651 7.587 0.064 25495 4874 1 12 . 1 1 72 72 VAL N N 72 126.890 126.890 121.598 5.292 25495 4875 1 12 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.740 0.328 25495 4876 1 12 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.267 0.424 25495 4877 1 12 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.292 -0.322 25495 4878 1 12 . 1 1 72 72 VAL H H 72 9.698 9.698 8.927 0.771 25495 4879 1 12 . 1 1 73 73 ASP N N 73 129.120 129.120 127.102 2.018 25495 4880 1 12 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.193 -0.039 25495 4881 1 12 . 1 1 73 73 ASP CA C 73 52.448 52.448 51.935 0.513 25495 4882 1 12 . 1 1 73 73 ASP CB C 73 41.552 41.552 44.047 -2.495 25495 4883 1 12 . 1 1 73 73 ASP H H 73 8.807 8.807 8.186 0.621 25495 4884 1 12 . 1 1 74 74 PHE N N 74 118.110 118.110 120.435 -2.325 25495 4885 1 12 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.565 -0.232 25495 4886 1 12 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.058 -0.405 25495 4887 1 12 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.148 -0.608 25495 4888 1 12 . 1 1 74 74 PHE H H 74 8.511 8.511 8.804 -0.293 25495 4889 1 12 . 1 1 75 75 ASP N N 75 117.145 117.145 118.902 -1.757 25495 4890 1 12 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.278 -0.297 25495 4891 1 12 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.780 0.224 25495 4892 1 12 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.952 0.390 25495 4893 1 12 . 1 1 75 75 ASP H H 75 7.601 7.601 8.681 -1.080 25495 4894 1 12 . 1 1 76 76 GLU N N 76 120.605 120.605 119.492 1.113 25495 4895 1 12 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.980 0.070 25495 4896 1 12 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.143 -0.813 25495 4897 1 12 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.359 0.736 25495 4898 1 12 . 1 1 76 76 GLU H H 76 8.235 8.235 8.516 -0.281 25495 4899 1 12 . 1 1 77 77 PHE N N 77 123.122 123.122 121.879 1.243 25495 4900 1 12 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.116 -0.141 25495 4901 1 12 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.910 -0.402 25495 4902 1 12 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.830 0.733 25495 4903 1 12 . 1 1 77 77 PHE H H 77 8.983 8.983 8.593 0.390 25495 4904 1 12 . 1 1 78 78 LEU N N 78 118.537 118.537 118.460 0.077 25495 4905 1 12 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.067 0.222 25495 4906 1 12 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.499 0.610 25495 4907 1 12 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.190 0.290 25495 4908 1 12 . 1 1 78 78 LEU H H 78 7.842 7.842 7.575 0.267 25495 4909 1 12 . 1 1 79 79 VAL N N 79 117.650 117.650 119.661 -2.011 25495 4910 1 12 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.600 -0.329 25495 4911 1 12 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.706 -0.271 25495 4912 1 12 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.461 -0.447 25495 4913 1 12 . 1 1 79 79 VAL H H 79 6.834 6.834 7.443 -0.609 25495 4914 1 12 . 1 1 80 80 MET N N 80 120.117 120.117 119.886 0.231 25495 4915 1 12 . 1 1 80 80 MET HA H 80 3.550 3.550 3.893 -0.343 25495 4916 1 12 . 1 1 80 80 MET CA C 80 59.506 59.506 59.408 0.098 25495 4917 1 12 . 1 1 80 80 MET CB C 80 34.002 34.002 32.488 1.514 25495 4918 1 12 . 1 1 80 80 MET H H 80 7.990 7.990 8.245 -0.255 25495 4919 1 12 . 1 1 81 81 MET N N 81 116.622 116.622 118.568 -1.946 25495 4920 1 12 . 1 1 81 81 MET HA H 81 4.074 4.074 4.106 -0.032 25495 4921 1 12 . 1 1 81 81 MET CA C 81 56.657 56.657 58.088 -1.431 25495 4922 1 12 . 1 1 81 81 MET CB C 81 32.334 32.334 31.377 0.957 25495 4923 1 12 . 1 1 81 81 MET H H 81 8.148 8.148 7.622 0.526 25495 4924 1 12 . 1 1 82 82 VAL N N 82 117.651 117.651 119.210 -1.559 25495 4925 1 12 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.525 0.409 25495 4926 1 12 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.352 -0.175 25495 4927 1 12 . 1 1 82 82 VAL CB C 82 31.243 31.243 30.503 0.740 25495 4928 1 12 . 1 1 82 82 VAL H H 82 8.082 8.082 8.010 0.072 25495 4929 1 12 . 1 1 83 83 ARG N N 83 120.226 120.226 120.984 -0.758 25495 4930 1 12 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.168 -0.347 25495 4931 1 12 . 1 1 83 83 ARG CA C 83 59.590 59.590 60.022 -0.432 25495 4932 1 12 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.111 -0.129 25495 4933 1 12 . 1 1 83 83 ARG H H 83 8.086 8.086 8.641 -0.555 25495 4934 1 12 . 1 1 84 84 CYS N N 84 115.892 115.892 116.467 -0.575 25495 4935 1 12 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.213 0.221 25495 4936 1 12 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.330 -1.793 25495 4937 1 12 . 1 1 84 84 CYS CB C 84 27.440 27.440 26.908 0.532 25495 4938 1 12 . 1 1 84 84 CYS H H 84 7.754 7.754 7.917 -0.163 25495 4939 1 12 . 1 1 85 85 MET HA H 85 4.416 4.416 4.208 0.208 25495 4940 1 12 . 1 1 85 85 MET CA C 85 57.720 57.720 58.448 -0.728 25495 4941 1 12 . 1 1 85 85 MET CB C 85 34.275 34.275 32.858 1.417 25495 4942 1 12 . 1 1 86 86 LYS N N 86 119.961 119.961 116.295 3.666 25495 4943 1 12 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.278 0.070 25495 4944 1 12 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.803 -0.075 25495 4945 1 12 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.121 0.248 25495 4946 1 12 . 1 1 86 86 LYS H H 86 7.886 7.886 8.168 -0.282 25495 4947 1 12 . 1 1 87 87 ASP N N 87 121.700 121.700 117.711 3.989 25495 4948 1 12 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.316 0.405 25495 4949 1 12 . 1 1 87 87 ASP CA C 87 54.582 54.582 56.120 -1.538 25495 4950 1 12 . 1 1 87 87 ASP CB C 87 41.302 41.302 39.136 2.166 25495 4951 1 12 . 1 1 87 87 ASP H H 87 8.219 8.219 8.355 -0.136 25495 4952 1 12 . 1 1 88 88 ASP N N 88 121.739 121.739 124.544 -2.805 25495 4953 1 12 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.681 0.051 25495 4954 1 12 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.822 0.432 25495 4955 1 12 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.624 1.724 25495 4956 1 12 . 1 1 88 88 ASP H H 88 8.256 8.256 8.468 -0.212 25495 4957 1 13 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.686 -0.030 25495 4958 1 13 . 1 1 2 2 ASP CA C 2 54.796 54.796 55.119 -0.323 25495 4959 1 13 . 1 1 2 2 ASP CB C 2 41.624 41.624 39.947 1.677 25495 4960 1 13 . 1 1 3 3 ASP N N 3 122.846 122.846 120.845 2.001 25495 4961 1 13 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.415 0.074 25495 4962 1 13 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.846 -1.021 25495 4963 1 13 . 1 1 3 3 ASP CB C 3 41.421 41.421 39.878 1.543 25495 4964 1 13 . 1 1 3 3 ASP H H 3 8.509 8.509 8.770 -0.261 25495 4965 1 13 . 1 1 4 4 ILE N N 4 119.356 119.356 120.117 -0.761 25495 4966 1 13 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.764 0.152 25495 4967 1 13 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.141 -0.446 25495 4968 1 13 . 1 1 4 4 ILE CB C 4 37.856 37.856 38.011 -0.155 25495 4969 1 13 . 1 1 4 4 ILE H H 4 8.227 8.227 8.030 0.197 25495 4970 1 13 . 1 1 5 5 TYR N N 5 121.143 121.143 119.790 1.353 25495 4971 1 13 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.024 0.387 25495 4972 1 13 . 1 1 5 5 TYR CA C 5 60.139 60.139 61.889 -1.750 25495 4973 1 13 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.187 -0.399 25495 4974 1 13 . 1 1 5 5 TYR H H 5 7.639 7.639 8.223 -0.584 25495 4975 1 13 . 1 1 6 6 LYS N N 6 120.843 120.843 118.361 2.482 25495 4976 1 13 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.828 0.161 25495 4977 1 13 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.165 0.413 25495 4978 1 13 . 1 1 6 6 LYS CB C 6 32.319 32.319 31.958 0.361 25495 4979 1 13 . 1 1 6 6 LYS H H 6 7.929 7.929 8.204 -0.275 25495 4980 1 13 . 1 1 7 7 ALA N N 7 120.497 120.497 121.260 -0.763 25495 4981 1 13 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.095 0.049 25495 4982 1 13 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.893 -0.242 25495 4983 1 13 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.026 -0.048 25495 4984 1 13 . 1 1 7 7 ALA H H 7 7.934 7.934 8.006 -0.072 25495 4985 1 13 . 1 1 8 8 ALA N N 8 119.953 119.953 121.430 -1.477 25495 4986 1 13 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.960 0.222 25495 4987 1 13 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.824 -0.149 25495 4988 1 13 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.129 0.344 25495 4989 1 13 . 1 1 8 8 ALA H H 8 7.479 7.479 7.792 -0.313 25495 4990 1 13 . 1 1 9 9 VAL N N 9 119.227 119.227 117.827 1.400 25495 4991 1 13 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.408 0.153 25495 4992 1 13 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.590 -0.342 25495 4993 1 13 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.593 0.471 25495 4994 1 13 . 1 1 9 9 VAL H H 9 8.030 8.030 7.667 0.363 25495 4995 1 13 . 1 1 10 10 GLU N N 10 118.451 118.451 119.585 -1.134 25495 4996 1 13 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.084 0.033 25495 4997 1 13 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.623 -0.263 25495 4998 1 13 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.721 -0.172 25495 4999 1 13 . 1 1 10 10 GLU H H 10 7.763 7.763 7.897 -0.134 25495 5000 1 13 . 1 1 11 11 GLN N N 11 114.938 114.938 117.619 -2.681 25495 5001 1 13 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.109 0.197 25495 5002 1 13 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.679 -1.067 25495 5003 1 13 . 1 1 11 11 GLN CB C 11 29.388 29.388 28.721 0.667 25495 5004 1 13 . 1 1 11 11 GLN H H 11 7.405 7.405 7.774 -0.369 25495 5005 1 13 . 1 1 12 12 LEU N N 12 120.828 120.828 120.252 0.576 25495 5006 1 13 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.035 0.496 25495 5007 1 13 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.721 -0.401 25495 5008 1 13 . 1 1 12 12 LEU CB C 12 43.126 43.126 41.876 1.250 25495 5009 1 13 . 1 1 12 12 LEU H H 12 7.385 7.385 7.065 0.320 25495 5010 1 13 . 1 1 13 13 THR N N 13 113.928 113.928 110.807 3.121 25495 5011 1 13 . 1 1 13 13 THR HA H 13 4.445 4.445 4.359 0.087 25495 5012 1 13 . 1 1 13 13 THR CA C 13 60.804 60.804 61.548 -0.744 25495 5013 1 13 . 1 1 13 13 THR CB C 13 71.151 71.151 70.110 1.041 25495 5014 1 13 . 1 1 13 13 THR H H 13 8.930 8.930 8.091 0.839 25495 5015 1 13 . 1 1 14 14 GLU N N 14 121.720 121.720 122.916 -1.196 25495 5016 1 13 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.972 0.016 25495 5017 1 13 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.618 -0.660 25495 5018 1 13 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.494 -0.219 25495 5019 1 13 . 1 1 14 14 GLU H H 14 9.028 9.028 8.982 0.046 25495 5020 1 13 . 1 1 15 15 GLU N N 15 117.744 117.744 118.702 -0.958 25495 5021 1 13 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.089 -0.026 25495 5022 1 13 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.488 0.847 25495 5023 1 13 . 1 1 15 15 GLU CB C 15 29.160 29.160 28.951 0.209 25495 5024 1 13 . 1 1 15 15 GLU H H 15 8.651 8.651 8.681 -0.030 25495 5025 1 13 . 1 1 16 16 GLN N N 16 119.476 119.476 118.511 0.965 25495 5026 1 13 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.326 -0.514 25495 5027 1 13 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.437 0.672 25495 5028 1 13 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.421 0.970 25495 5029 1 13 . 1 1 16 16 GLN H H 16 7.872 7.872 7.768 0.104 25495 5030 1 13 . 1 1 17 17 LYS N N 17 118.609 118.609 119.870 -1.261 25495 5031 1 13 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.274 -0.263 25495 5032 1 13 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.242 2.631 25495 5033 1 13 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.080 0.069 25495 5034 1 13 . 1 1 17 17 LYS H H 17 8.572 8.572 8.070 0.502 25495 5035 1 13 . 1 1 18 18 ASN N N 18 117.908 117.908 118.928 -1.020 25495 5036 1 13 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.472 0.092 25495 5037 1 13 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.655 -0.633 25495 5038 1 13 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.814 -0.930 25495 5039 1 13 . 1 1 18 18 ASN H H 18 8.581 8.581 8.462 0.119 25495 5040 1 13 . 1 1 19 19 GLU N N 19 123.446 123.446 119.817 3.629 25495 5041 1 13 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.037 0.141 25495 5042 1 13 . 1 1 19 19 GLU CA C 19 59.926 59.926 58.902 1.024 25495 5043 1 13 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.198 -0.194 25495 5044 1 13 . 1 1 19 19 GLU H H 19 7.993 7.993 8.134 -0.141 25495 5045 1 13 . 1 1 20 20 PHE N N 20 117.821 117.821 122.525 -4.704 25495 5046 1 13 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.183 0.739 25495 5047 1 13 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.351 -0.507 25495 5048 1 13 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.866 -0.964 25495 5049 1 13 . 1 1 20 20 PHE H H 20 8.528 8.528 8.313 0.215 25495 5050 1 13 . 1 1 21 21 LYS N N 21 122.656 122.656 118.760 3.896 25495 5051 1 13 . 1 1 21 21 LYS HA H 21 4.029 4.029 2.952 1.077 25495 5052 1 13 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.251 -0.556 25495 5053 1 13 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.016 -0.365 25495 5054 1 13 . 1 1 21 21 LYS H H 21 8.929 8.929 7.964 0.965 25495 5055 1 13 . 1 1 22 22 ALA N N 22 121.479 121.479 120.995 0.484 25495 5056 1 13 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.078 0.128 25495 5057 1 13 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.846 0.254 25495 5058 1 13 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.090 -0.224 25495 5059 1 13 . 1 1 22 22 ALA H H 22 7.799 7.799 7.457 0.342 25495 5060 1 13 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.106 -0.023 25495 5061 1 13 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.848 0.313 25495 5062 1 13 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.250 0.747 25495 5063 1 13 . 1 1 24 24 PHE N N 24 121.493 121.493 118.907 2.586 25495 5064 1 13 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.723 -0.250 25495 5065 1 13 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.461 0.965 25495 5066 1 13 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.935 0.844 25495 5067 1 13 . 1 1 24 24 PHE H H 24 9.053 9.053 8.087 0.966 25495 5068 1 13 . 1 1 25 25 ASP N N 25 116.518 116.518 119.052 -2.534 25495 5069 1 13 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.286 -0.057 25495 5070 1 13 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.566 -0.541 25495 5071 1 13 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.945 -1.082 25495 5072 1 13 . 1 1 25 25 ASP H H 25 8.512 8.512 7.791 0.721 25495 5073 1 13 . 1 1 26 26 ILE N N 26 119.213 119.213 118.834 0.379 25495 5074 1 13 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.820 -0.035 25495 5075 1 13 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.088 -0.400 25495 5076 1 13 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.244 -0.290 25495 5077 1 13 . 1 1 26 26 ILE H H 26 7.221 7.221 7.426 -0.205 25495 5078 1 13 . 1 1 27 27 PHE N N 27 123.265 123.265 119.981 3.284 25495 5079 1 13 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.080 0.658 25495 5080 1 13 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.425 -1.417 25495 5081 1 13 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.175 1.135 25495 5082 1 13 . 1 1 27 27 PHE H H 27 8.287 8.287 8.371 -0.084 25495 5083 1 13 . 1 1 28 28 VAL N N 28 106.013 106.013 114.620 -8.607 25495 5084 1 13 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.145 -0.172 25495 5085 1 13 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.962 -0.664 25495 5086 1 13 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.861 1.718 25495 5087 1 13 . 1 1 28 28 VAL H H 28 7.544 7.544 7.617 -0.073 25495 5088 1 13 . 1 1 29 29 LEU N N 29 125.830 125.830 117.041 8.789 25495 5089 1 13 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.113 -0.037 25495 5090 1 13 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.039 0.477 25495 5091 1 13 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.753 0.824 25495 5092 1 13 . 1 1 29 29 LEU H H 29 7.240 7.240 7.461 -0.221 25495 5093 1 13 . 1 1 30 30 GLY N N 30 112.625 112.625 104.389 8.236 25495 5094 1 13 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.742 0.667 25495 5095 1 13 . 1 1 30 30 GLY H H 30 8.879 8.879 7.634 1.245 25495 5096 1 13 . 1 1 31 31 ALA N N 31 124.424 124.424 124.197 0.227 25495 5097 1 13 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.405 0.046 25495 5098 1 13 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.607 0.566 25495 5099 1 13 . 1 1 31 31 ALA CB C 31 19.857 19.857 18.250 1.607 25495 5100 1 13 . 1 1 31 31 ALA H H 31 8.077 8.077 8.626 -0.549 25495 5101 1 13 . 1 1 32 32 GLU N N 32 125.293 125.293 123.661 1.632 25495 5102 1 13 . 1 1 32 32 GLU HA H 32 4.086 4.086 3.983 0.103 25495 5103 1 13 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.894 0.214 25495 5104 1 13 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.846 -0.020 25495 5105 1 13 . 1 1 32 32 GLU H H 32 9.216 9.216 8.384 0.832 25495 5106 1 13 . 1 1 33 33 ASP N N 33 115.502 115.502 115.226 0.276 25495 5107 1 13 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.531 0.178 25495 5108 1 13 . 1 1 33 33 ASP CA C 33 52.992 52.992 53.751 -0.758 25495 5109 1 13 . 1 1 33 33 ASP CB C 33 41.078 41.078 39.788 1.290 25495 5110 1 13 . 1 1 33 33 ASP H H 33 8.177 8.177 8.081 0.096 25495 5111 1 13 . 1 1 34 34 GLY N N 34 105.896 105.896 108.469 -2.573 25495 5112 1 13 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.264 1.374 25495 5113 1 13 . 1 1 34 34 GLY H H 34 7.588 7.588 7.657 -0.069 25495 5114 1 13 . 1 1 35 35 CYS N N 35 114.179 114.179 118.766 -4.587 25495 5115 1 13 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.863 0.126 25495 5116 1 13 . 1 1 35 35 CYS CA C 35 57.668 57.668 58.461 -0.793 25495 5117 1 13 . 1 1 35 35 CYS CB C 35 31.737 31.737 29.475 2.262 25495 5118 1 13 . 1 1 35 35 CYS H H 35 7.438 7.438 8.960 -1.522 25495 5119 1 13 . 1 1 36 36 ILE N N 36 119.578 119.578 125.616 -6.038 25495 5120 1 13 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.804 -1.098 25495 5121 1 13 . 1 1 36 36 ILE CA C 36 62.762 62.762 59.863 2.899 25495 5122 1 13 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.073 1.713 25495 5123 1 13 . 1 1 36 36 ILE H H 36 8.847 8.847 8.862 -0.015 25495 5124 1 13 . 1 1 37 37 SER N N 37 126.282 126.282 120.068 6.214 25495 5125 1 13 . 1 1 37 37 SER HA H 37 5.059 5.059 4.987 0.072 25495 5126 1 13 . 1 1 37 37 SER CA C 37 57.226 57.226 55.899 1.327 25495 5127 1 13 . 1 1 37 37 SER CB C 37 66.983 66.983 65.508 1.475 25495 5128 1 13 . 1 1 37 37 SER H H 37 9.462 9.462 8.340 1.122 25495 5129 1 13 . 1 1 38 38 THR N N 38 112.015 112.015 115.224 -3.209 25495 5130 1 13 . 1 1 38 38 THR HA H 38 3.730 3.730 4.080 -0.350 25495 5131 1 13 . 1 1 38 38 THR CA C 38 66.443 66.443 65.802 0.641 25495 5132 1 13 . 1 1 38 38 THR CB C 38 67.740 67.740 68.603 -0.863 25495 5133 1 13 . 1 1 38 38 THR H H 38 8.796 8.796 8.791 0.005 25495 5134 1 13 . 1 1 39 39 LYS N N 39 123.244 123.244 121.728 1.516 25495 5135 1 13 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.019 0.041 25495 5136 1 13 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.788 -0.231 25495 5137 1 13 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.116 0.124 25495 5138 1 13 . 1 1 39 39 LYS H H 39 8.050 8.050 8.133 -0.083 25495 5139 1 13 . 1 1 40 40 GLU N N 40 119.359 119.359 118.792 0.567 25495 5140 1 13 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.030 0.168 25495 5141 1 13 . 1 1 40 40 GLU CA C 40 60.766 60.766 58.627 2.139 25495 5142 1 13 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.369 0.545 25495 5143 1 13 . 1 1 40 40 GLU H H 40 7.750 7.750 7.812 -0.062 25495 5144 1 13 . 1 1 41 41 LEU N N 41 119.256 119.256 120.909 -1.653 25495 5145 1 13 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.026 0.172 25495 5146 1 13 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.654 0.230 25495 5147 1 13 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.835 0.743 25495 5148 1 13 . 1 1 41 41 LEU H H 41 8.349 8.349 8.193 0.156 25495 5149 1 13 . 1 1 42 42 GLY N N 42 106.053 106.053 106.130 -0.077 25495 5150 1 13 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.180 0.960 25495 5151 1 13 . 1 1 42 42 GLY H H 42 8.503 8.503 7.980 0.523 25495 5152 1 13 . 1 1 43 43 LYS N N 43 120.946 120.946 122.199 -1.253 25495 5153 1 13 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.057 -0.050 25495 5154 1 13 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.801 1.160 25495 5155 1 13 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.377 -0.003 25495 5156 1 13 . 1 1 43 43 LYS H H 43 7.319 7.319 7.510 -0.191 25495 5157 1 13 . 1 1 44 44 VAL N N 44 119.639 119.639 120.069 -0.430 25495 5158 1 13 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.556 0.039 25495 5159 1 13 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.666 -0.360 25495 5160 1 13 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.789 0.003 25495 5161 1 13 . 1 1 44 44 VAL H H 44 7.570 7.570 7.445 0.125 25495 5162 1 13 . 1 1 45 45 MET N N 45 116.846 116.846 117.500 -0.654 25495 5163 1 13 . 1 1 45 45 MET HA H 45 4.186 4.186 4.143 0.043 25495 5164 1 13 . 1 1 45 45 MET CA C 45 58.345 58.345 57.901 0.444 25495 5165 1 13 . 1 1 45 45 MET CB C 45 31.125 31.125 31.257 -0.132 25495 5166 1 13 . 1 1 45 45 MET H H 45 8.438 8.438 8.193 0.245 25495 5167 1 13 . 1 1 46 46 ARG N N 46 118.762 118.762 119.638 -0.876 25495 5168 1 13 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.100 0.552 25495 5169 1 13 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.174 0.177 25495 5170 1 13 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.889 0.166 25495 5171 1 13 . 1 1 46 46 ARG H H 46 8.114 8.114 7.665 0.449 25495 5172 1 13 . 1 1 47 47 MET N N 47 122.339 122.339 119.338 3.001 25495 5173 1 13 . 1 1 47 47 MET HA H 47 4.225 4.225 4.206 0.019 25495 5174 1 13 . 1 1 47 47 MET CA C 47 59.117 59.117 58.749 0.368 25495 5175 1 13 . 1 1 47 47 MET CB C 47 32.404 32.404 32.566 -0.162 25495 5176 1 13 . 1 1 47 47 MET H H 47 7.889 7.889 7.861 0.028 25495 5177 1 13 . 1 1 48 48 LEU N N 48 117.654 117.654 117.232 0.422 25495 5178 1 13 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.293 0.115 25495 5179 1 13 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.032 -0.375 25495 5180 1 13 . 1 1 48 48 LEU CB C 48 41.779 41.779 41.931 -0.152 25495 5181 1 13 . 1 1 48 48 LEU H H 48 7.516 7.516 7.733 -0.217 25495 5182 1 13 . 1 1 49 49 GLY N N 49 107.494 107.494 106.660 0.834 25495 5183 1 13 . 1 1 49 49 GLY CA C 49 45.899 45.899 45.056 0.842 25495 5184 1 13 . 1 1 49 49 GLY H H 49 7.875 7.875 7.638 0.237 25495 5185 1 13 . 1 1 50 50 GLN N N 50 118.165 118.165 119.564 -1.399 25495 5186 1 13 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.503 0.001 25495 5187 1 13 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.524 -0.462 25495 5188 1 13 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.431 -0.335 25495 5189 1 13 . 1 1 50 50 GLN H H 50 8.025 8.025 8.235 -0.210 25495 5190 1 13 . 1 1 51 51 ASN N N 51 116.752 116.752 120.759 -4.007 25495 5191 1 13 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.040 0.116 25495 5192 1 13 . 1 1 51 51 ASN CA C 51 51.184 51.184 49.947 1.237 25495 5193 1 13 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.602 0.650 25495 5194 1 13 . 1 1 51 51 ASN H H 51 8.706 8.706 8.607 0.099 25495 5195 1 13 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.721 0.050 25495 5196 1 13 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.607 -0.384 25495 5197 1 13 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.352 -0.336 25495 5198 1 13 . 1 1 53 53 THR N N 53 114.441 114.441 109.875 4.566 25495 5199 1 13 . 1 1 53 53 THR HA H 53 4.623 4.623 4.691 -0.068 25495 5200 1 13 . 1 1 53 53 THR CA C 53 60.314 60.314 59.116 1.198 25495 5201 1 13 . 1 1 53 53 THR CB C 53 68.422 68.422 69.535 -1.113 25495 5202 1 13 . 1 1 53 53 THR H H 53 8.899 8.899 8.149 0.750 25495 5203 1 13 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.093 0.088 25495 5204 1 13 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.862 0.325 25495 5205 1 13 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.525 0.243 25495 5206 1 13 . 1 1 55 55 GLU N N 55 117.303 117.303 116.256 1.047 25495 5207 1 13 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.006 0.019 25495 5208 1 13 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.398 1.112 25495 5209 1 13 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.494 0.273 25495 5210 1 13 . 1 1 55 55 GLU H H 55 8.751 8.751 8.997 -0.246 25495 5211 1 13 . 1 1 56 56 GLU N N 56 121.627 121.627 120.229 1.398 25495 5212 1 13 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.302 -0.305 25495 5213 1 13 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.598 0.602 25495 5214 1 13 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.630 0.419 25495 5215 1 13 . 1 1 56 56 GLU H H 56 7.813 7.813 7.983 -0.170 25495 5216 1 13 . 1 1 57 57 LEU N N 57 118.921 118.921 120.345 -1.424 25495 5217 1 13 . 1 1 57 57 LEU HA H 57 4.032 4.032 3.979 0.053 25495 5218 1 13 . 1 1 57 57 LEU CA C 57 57.774 57.774 58.471 -0.697 25495 5219 1 13 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.556 1.093 25495 5220 1 13 . 1 1 57 57 LEU H H 57 8.143 8.143 7.552 0.591 25495 5221 1 13 . 1 1 58 58 GLN N N 58 117.966 117.966 119.161 -1.195 25495 5222 1 13 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.930 -0.224 25495 5223 1 13 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.269 -1.032 25495 5224 1 13 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.612 -0.129 25495 5225 1 13 . 1 1 58 58 GLN H H 58 8.001 8.001 8.213 -0.212 25495 5226 1 13 . 1 1 59 59 GLU N N 59 119.177 119.177 120.282 -1.105 25495 5227 1 13 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.052 -0.011 25495 5228 1 13 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.178 0.459 25495 5229 1 13 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.465 -0.035 25495 5230 1 13 . 1 1 59 59 GLU H H 59 7.935 7.935 7.807 0.128 25495 5231 1 13 . 1 1 60 60 MET N N 60 117.654 117.654 119.567 -1.913 25495 5232 1 13 . 1 1 60 60 MET HA H 60 3.936 3.936 4.356 -0.420 25495 5233 1 13 . 1 1 60 60 MET CA C 60 59.488 59.488 57.616 1.872 25495 5234 1 13 . 1 1 60 60 MET CB C 60 33.570 33.570 32.296 1.274 25495 5235 1 13 . 1 1 60 60 MET H H 60 7.640 7.640 8.177 -0.537 25495 5236 1 13 . 1 1 61 61 ILE N N 61 118.132 118.132 118.842 -0.710 25495 5237 1 13 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.626 -0.271 25495 5238 1 13 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.423 -1.032 25495 5239 1 13 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.496 -0.057 25495 5240 1 13 . 1 1 61 61 ILE H H 61 7.334 7.334 7.763 -0.429 25495 5241 1 13 . 1 1 62 62 ASP N N 62 119.480 119.480 120.865 -1.385 25495 5242 1 13 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.241 0.033 25495 5243 1 13 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.431 -0.007 25495 5244 1 13 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.417 -0.110 25495 5245 1 13 . 1 1 62 62 ASP H H 62 8.754 8.754 8.181 0.573 25495 5246 1 13 . 1 1 63 63 GLU N N 63 116.032 116.032 118.747 -2.715 25495 5247 1 13 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.031 0.000 25495 5248 1 13 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.834 -0.016 25495 5249 1 13 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.907 0.552 25495 5250 1 13 . 1 1 63 63 GLU H H 63 7.588 7.588 7.703 -0.115 25495 5251 1 13 . 1 1 64 64 VAL N N 64 107.386 107.386 118.470 -11.084 25495 5252 1 13 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.027 0.499 25495 5253 1 13 . 1 1 64 64 VAL CA C 64 60.594 60.594 62.574 -1.980 25495 5254 1 13 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.874 -0.513 25495 5255 1 13 . 1 1 64 64 VAL H H 64 7.222 7.222 7.333 -0.111 25495 5256 1 13 . 1 1 65 65 ASP N N 65 121.993 121.993 121.155 0.838 25495 5257 1 13 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.567 0.093 25495 5258 1 13 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.510 -1.040 25495 5259 1 13 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.294 -0.897 25495 5260 1 13 . 1 1 65 65 ASP H H 65 7.576 7.576 8.285 -0.709 25495 5261 1 13 . 1 1 66 66 GLU N N 66 128.234 128.234 124.881 3.353 25495 5262 1 13 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.209 -0.029 25495 5263 1 13 . 1 1 66 66 GLU CA C 66 58.471 58.471 57.508 0.963 25495 5264 1 13 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.686 1.184 25495 5265 1 13 . 1 1 66 66 GLU H H 66 8.586 8.586 8.643 -0.057 25495 5266 1 13 . 1 1 67 67 ASP N N 67 114.535 114.535 117.577 -3.042 25495 5267 1 13 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.697 0.025 25495 5268 1 13 . 1 1 67 67 ASP CA C 67 52.428 52.428 54.596 -2.168 25495 5269 1 13 . 1 1 67 67 ASP CB C 67 40.337 40.337 41.158 -0.821 25495 5270 1 13 . 1 1 67 67 ASP H H 67 7.969 7.969 8.848 -0.879 25495 5271 1 13 . 1 1 68 68 GLY N N 68 108.961 108.961 108.398 0.563 25495 5272 1 13 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.919 1.259 25495 5273 1 13 . 1 1 68 68 GLY H H 68 7.766 7.766 7.965 -0.199 25495 5274 1 13 . 1 1 69 69 SER N N 69 116.683 116.683 116.183 0.500 25495 5275 1 13 . 1 1 69 69 SER HA H 69 4.234 4.234 4.216 0.018 25495 5276 1 13 . 1 1 69 69 SER CA C 69 60.271 60.271 59.142 1.129 25495 5277 1 13 . 1 1 69 69 SER CB C 69 64.864 64.864 63.858 1.006 25495 5278 1 13 . 1 1 69 69 SER H H 69 8.469 8.469 7.797 0.672 25495 5279 1 13 . 1 1 70 70 GLY N N 70 116.564 116.564 110.085 6.479 25495 5280 1 13 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.348 0.346 25495 5281 1 13 . 1 1 70 70 GLY H H 70 10.834 10.834 8.693 2.141 25495 5282 1 13 . 1 1 71 71 THR N N 71 107.543 107.543 111.356 -3.813 25495 5283 1 13 . 1 1 71 71 THR HA H 71 4.891 4.891 4.978 -0.087 25495 5284 1 13 . 1 1 71 71 THR CA C 71 58.480 58.480 60.025 -1.545 25495 5285 1 13 . 1 1 71 71 THR CB C 71 73.920 73.920 72.628 1.292 25495 5286 1 13 . 1 1 71 71 THR H H 71 7.651 7.651 7.689 -0.038 25495 5287 1 13 . 1 1 72 72 VAL N N 72 126.890 126.890 123.381 3.509 25495 5288 1 13 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.748 0.320 25495 5289 1 13 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.047 0.645 25495 5290 1 13 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.890 -0.920 25495 5291 1 13 . 1 1 72 72 VAL H H 72 9.698 9.698 8.901 0.797 25495 5292 1 13 . 1 1 73 73 ASP N N 73 129.120 129.120 126.773 2.347 25495 5293 1 13 . 1 1 73 73 ASP HA H 73 5.154 5.154 4.964 0.190 25495 5294 1 13 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.829 -0.381 25495 5295 1 13 . 1 1 73 73 ASP CB C 73 41.552 41.552 41.944 -0.392 25495 5296 1 13 . 1 1 73 73 ASP H H 73 8.807 8.807 8.549 0.258 25495 5297 1 13 . 1 1 74 74 PHE N N 74 118.110 118.110 118.657 -0.547 25495 5298 1 13 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.584 -0.251 25495 5299 1 13 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.174 -0.521 25495 5300 1 13 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.250 -0.710 25495 5301 1 13 . 1 1 74 74 PHE H H 74 8.511 8.511 8.912 -0.401 25495 5302 1 13 . 1 1 75 75 ASP N N 75 117.145 117.145 118.825 -1.680 25495 5303 1 13 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.442 -0.461 25495 5304 1 13 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.012 -0.008 25495 5305 1 13 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.182 0.160 25495 5306 1 13 . 1 1 75 75 ASP H H 75 7.601 7.601 8.574 -0.973 25495 5307 1 13 . 1 1 76 76 GLU N N 76 120.605 120.605 120.024 0.581 25495 5308 1 13 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.983 0.067 25495 5309 1 13 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.197 -0.866 25495 5310 1 13 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.568 0.527 25495 5311 1 13 . 1 1 76 76 GLU H H 76 8.235 8.235 9.592 -1.357 25495 5312 1 13 . 1 1 77 77 PHE N N 77 123.122 123.122 119.943 3.179 25495 5313 1 13 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.260 -0.285 25495 5314 1 13 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.540 -1.032 25495 5315 1 13 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.253 0.310 25495 5316 1 13 . 1 1 77 77 PHE H H 77 8.983 8.983 7.984 0.999 25495 5317 1 13 . 1 1 78 78 LEU N N 78 118.537 118.537 120.534 -1.997 25495 5318 1 13 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.672 -0.383 25495 5319 1 13 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.652 0.457 25495 5320 1 13 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.272 0.208 25495 5321 1 13 . 1 1 78 78 LEU H H 78 7.842 7.842 7.518 0.324 25495 5322 1 13 . 1 1 79 79 VAL N N 79 117.650 117.650 117.661 -0.011 25495 5323 1 13 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.852 -0.581 25495 5324 1 13 . 1 1 79 79 VAL CA C 79 66.435 66.435 65.299 1.136 25495 5325 1 13 . 1 1 79 79 VAL CB C 79 31.014 31.014 30.913 0.101 25495 5326 1 13 . 1 1 79 79 VAL H H 79 6.834 6.834 8.346 -1.512 25495 5327 1 13 . 1 1 80 80 MET N N 80 120.117 120.117 120.518 -0.401 25495 5328 1 13 . 1 1 80 80 MET HA H 80 3.550 3.550 4.041 -0.491 25495 5329 1 13 . 1 1 80 80 MET CA C 80 59.506 59.506 58.926 0.580 25495 5330 1 13 . 1 1 80 80 MET CB C 80 34.002 34.002 32.101 1.901 25495 5331 1 13 . 1 1 80 80 MET H H 80 7.990 7.990 7.415 0.575 25495 5332 1 13 . 1 1 81 81 MET N N 81 116.622 116.622 118.232 -1.610 25495 5333 1 13 . 1 1 81 81 MET HA H 81 4.074 4.074 4.084 -0.010 25495 5334 1 13 . 1 1 81 81 MET CA C 81 56.657 56.657 57.779 -1.122 25495 5335 1 13 . 1 1 81 81 MET CB C 81 32.334 32.334 31.389 0.945 25495 5336 1 13 . 1 1 81 81 MET H H 81 8.148 8.148 7.483 0.665 25495 5337 1 13 . 1 1 82 82 VAL N N 82 117.651 117.651 119.383 -1.732 25495 5338 1 13 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.676 0.258 25495 5339 1 13 . 1 1 82 82 VAL CA C 82 66.177 66.177 65.628 0.549 25495 5340 1 13 . 1 1 82 82 VAL CB C 82 31.243 31.243 30.626 0.617 25495 5341 1 13 . 1 1 82 82 VAL H H 82 8.082 8.082 7.714 0.368 25495 5342 1 13 . 1 1 83 83 ARG N N 83 120.226 120.226 120.146 0.080 25495 5343 1 13 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.051 -0.230 25495 5344 1 13 . 1 1 83 83 ARG CA C 83 59.590 59.590 60.177 -0.587 25495 5345 1 13 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.025 -0.043 25495 5346 1 13 . 1 1 83 83 ARG H H 83 8.086 8.086 8.434 -0.348 25495 5347 1 13 . 1 1 84 84 CYS N N 84 115.892 115.892 117.357 -1.465 25495 5348 1 13 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.203 0.231 25495 5349 1 13 . 1 1 84 84 CYS CA C 84 61.537 61.537 61.360 0.177 25495 5350 1 13 . 1 1 84 84 CYS CB C 84 27.440 27.440 26.720 0.720 25495 5351 1 13 . 1 1 84 84 CYS H H 84 7.754 7.754 7.978 -0.224 25495 5352 1 13 . 1 1 85 85 MET HA H 85 4.416 4.416 4.149 0.267 25495 5353 1 13 . 1 1 85 85 MET CA C 85 57.720 57.720 58.051 -0.331 25495 5354 1 13 . 1 1 85 85 MET CB C 85 34.275 34.275 32.596 1.679 25495 5355 1 13 . 1 1 86 86 LYS N N 86 119.961 119.961 118.472 1.489 25495 5356 1 13 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.185 0.163 25495 5357 1 13 . 1 1 86 86 LYS CA C 86 56.728 56.728 57.604 -0.876 25495 5358 1 13 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.169 0.200 25495 5359 1 13 . 1 1 86 86 LYS H H 86 7.886 7.886 7.955 -0.069 25495 5360 1 13 . 1 1 87 87 ASP N N 87 121.700 121.700 120.087 1.613 25495 5361 1 13 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.625 0.096 25495 5362 1 13 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.264 -0.681 25495 5363 1 13 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.149 0.153 25495 5364 1 13 . 1 1 87 87 ASP H H 87 8.219 8.219 8.192 0.027 25495 5365 1 13 . 1 1 88 88 ASP N N 88 121.739 121.739 123.014 -1.275 25495 5366 1 13 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.773 -0.041 25495 5367 1 13 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.005 1.249 25495 5368 1 13 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.384 0.964 25495 5369 1 13 . 1 1 88 88 ASP H H 88 8.256 8.256 8.484 -0.228 25495 5370 1 14 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.762 -0.106 25495 5371 1 14 . 1 1 2 2 ASP CA C 2 54.796 54.796 54.023 0.773 25495 5372 1 14 . 1 1 2 2 ASP CB C 2 41.624 41.624 39.486 2.138 25495 5373 1 14 . 1 1 3 3 ASP N N 3 122.846 122.846 122.673 0.173 25495 5374 1 14 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.406 0.083 25495 5375 1 14 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.913 -1.088 25495 5376 1 14 . 1 1 3 3 ASP CB C 3 41.421 41.421 41.344 0.077 25495 5377 1 14 . 1 1 3 3 ASP H H 3 8.509 8.509 8.147 0.362 25495 5378 1 14 . 1 1 4 4 ILE N N 4 119.356 119.356 120.465 -1.109 25495 5379 1 14 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.654 0.262 25495 5380 1 14 . 1 1 4 4 ILE CA C 4 63.695 63.695 65.213 -1.518 25495 5381 1 14 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.837 0.019 25495 5382 1 14 . 1 1 4 4 ILE H H 4 8.227 8.227 8.108 0.119 25495 5383 1 14 . 1 1 5 5 TYR N N 5 121.143 121.143 119.318 1.825 25495 5384 1 14 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.016 0.395 25495 5385 1 14 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.002 -1.863 25495 5386 1 14 . 1 1 5 5 TYR CB C 5 37.788 37.788 37.832 -0.044 25495 5387 1 14 . 1 1 5 5 TYR H H 5 7.639 7.639 8.196 -0.557 25495 5388 1 14 . 1 1 6 6 LYS N N 6 120.843 120.843 119.280 1.563 25495 5389 1 14 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.899 0.090 25495 5390 1 14 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.104 0.474 25495 5391 1 14 . 1 1 6 6 LYS CB C 6 32.319 32.319 31.895 0.424 25495 5392 1 14 . 1 1 6 6 LYS H H 6 7.929 7.929 7.854 0.075 25495 5393 1 14 . 1 1 7 7 ALA N N 7 120.497 120.497 121.036 -0.539 25495 5394 1 14 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.133 0.011 25495 5395 1 14 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.877 -0.226 25495 5396 1 14 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.112 -0.134 25495 5397 1 14 . 1 1 7 7 ALA H H 7 7.934 7.934 8.117 -0.183 25495 5398 1 14 . 1 1 8 8 ALA N N 8 119.953 119.953 121.917 -1.964 25495 5399 1 14 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.909 0.273 25495 5400 1 14 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.794 -0.119 25495 5401 1 14 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.292 0.181 25495 5402 1 14 . 1 1 8 8 ALA H H 8 7.479 7.479 7.928 -0.449 25495 5403 1 14 . 1 1 9 9 VAL N N 9 119.227 119.227 118.217 1.010 25495 5404 1 14 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.494 0.067 25495 5405 1 14 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.874 -0.626 25495 5406 1 14 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.687 0.377 25495 5407 1 14 . 1 1 9 9 VAL H H 9 8.030 8.030 8.223 -0.193 25495 5408 1 14 . 1 1 10 10 GLU N N 10 118.451 118.451 118.149 0.302 25495 5409 1 14 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.012 0.105 25495 5410 1 14 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.591 -0.231 25495 5411 1 14 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.232 0.317 25495 5412 1 14 . 1 1 10 10 GLU H H 10 7.763 7.763 7.949 -0.186 25495 5413 1 14 . 1 1 11 11 GLN N N 11 114.938 114.938 116.926 -1.988 25495 5414 1 14 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.099 0.207 25495 5415 1 14 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.796 -1.184 25495 5416 1 14 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.064 0.324 25495 5417 1 14 . 1 1 11 11 GLN H H 11 7.405 7.405 7.796 -0.391 25495 5418 1 14 . 1 1 12 12 LEU N N 12 120.828 120.828 120.844 -0.016 25495 5419 1 14 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.133 0.398 25495 5420 1 14 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.130 0.190 25495 5421 1 14 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.266 0.860 25495 5422 1 14 . 1 1 12 12 LEU H H 12 7.385 7.385 7.305 0.080 25495 5423 1 14 . 1 1 13 13 THR N N 13 113.928 113.928 113.805 0.123 25495 5424 1 14 . 1 1 13 13 THR HA H 13 4.445 4.445 4.407 0.038 25495 5425 1 14 . 1 1 13 13 THR CA C 13 60.804 60.804 60.679 0.125 25495 5426 1 14 . 1 1 13 13 THR CB C 13 71.151 71.151 70.239 0.912 25495 5427 1 14 . 1 1 13 13 THR H H 13 8.930 8.930 7.994 0.936 25495 5428 1 14 . 1 1 14 14 GLU N N 14 121.720 121.720 120.964 0.756 25495 5429 1 14 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.995 -0.007 25495 5430 1 14 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.672 -0.714 25495 5431 1 14 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.173 0.102 25495 5432 1 14 . 1 1 14 14 GLU H H 14 9.028 9.028 8.915 0.113 25495 5433 1 14 . 1 1 15 15 GLU N N 15 117.744 117.744 118.696 -0.952 25495 5434 1 14 . 1 1 15 15 GLU HA H 15 4.063 4.063 3.980 0.083 25495 5435 1 14 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.502 0.833 25495 5436 1 14 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.198 -0.038 25495 5437 1 14 . 1 1 15 15 GLU H H 15 8.651 8.651 8.567 0.084 25495 5438 1 14 . 1 1 16 16 GLN N N 16 119.476 119.476 119.137 0.339 25495 5439 1 14 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.003 -0.191 25495 5440 1 14 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.730 0.379 25495 5441 1 14 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.389 1.002 25495 5442 1 14 . 1 1 16 16 GLN H H 16 7.872 7.872 7.672 0.200 25495 5443 1 14 . 1 1 17 17 LYS N N 17 118.609 118.609 120.039 -1.430 25495 5444 1 14 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.208 -0.197 25495 5445 1 14 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.439 2.434 25495 5446 1 14 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.034 0.115 25495 5447 1 14 . 1 1 17 17 LYS H H 17 8.572 8.572 8.338 0.234 25495 5448 1 14 . 1 1 18 18 ASN N N 18 117.908 117.908 118.663 -0.755 25495 5449 1 14 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.576 -0.012 25495 5450 1 14 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.118 -0.096 25495 5451 1 14 . 1 1 18 18 ASN CB C 18 37.884 37.884 37.934 -0.050 25495 5452 1 14 . 1 1 18 18 ASN H H 18 8.581 8.581 8.289 0.292 25495 5453 1 14 . 1 1 19 19 GLU N N 19 123.446 123.446 120.762 2.684 25495 5454 1 14 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.047 0.131 25495 5455 1 14 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.349 0.577 25495 5456 1 14 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.243 -0.239 25495 5457 1 14 . 1 1 19 19 GLU H H 19 7.993 7.993 8.184 -0.191 25495 5458 1 14 . 1 1 20 20 PHE N N 20 117.821 117.821 119.200 -1.379 25495 5459 1 14 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.390 0.532 25495 5460 1 14 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.396 -1.552 25495 5461 1 14 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.758 -0.856 25495 5462 1 14 . 1 1 20 20 PHE H H 20 8.528 8.528 8.315 0.213 25495 5463 1 14 . 1 1 21 21 LYS N N 21 122.656 122.656 120.966 1.690 25495 5464 1 14 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.289 -0.260 25495 5465 1 14 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.999 -1.304 25495 5466 1 14 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.561 -0.910 25495 5467 1 14 . 1 1 21 21 LYS H H 21 8.929 8.929 8.664 0.265 25495 5468 1 14 . 1 1 22 22 ALA N N 22 121.479 121.479 121.162 0.317 25495 5469 1 14 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.187 0.019 25495 5470 1 14 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.935 0.165 25495 5471 1 14 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.384 -0.518 25495 5472 1 14 . 1 1 22 22 ALA H H 22 7.799 7.799 8.095 -0.296 25495 5473 1 14 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.155 -0.072 25495 5474 1 14 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.772 0.389 25495 5475 1 14 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.358 0.639 25495 5476 1 14 . 1 1 24 24 PHE N N 24 121.493 121.493 119.042 2.451 25495 5477 1 14 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.743 -0.270 25495 5478 1 14 . 1 1 24 24 PHE CA C 24 62.426 62.426 60.953 1.473 25495 5479 1 14 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.038 0.741 25495 5480 1 14 . 1 1 24 24 PHE H H 24 9.053 9.053 8.583 0.470 25495 5481 1 14 . 1 1 25 25 ASP N N 25 116.518 116.518 117.837 -1.319 25495 5482 1 14 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.307 -0.078 25495 5483 1 14 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.495 -0.470 25495 5484 1 14 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.528 -0.665 25495 5485 1 14 . 1 1 25 25 ASP H H 25 8.512 8.512 8.049 0.463 25495 5486 1 14 . 1 1 26 26 ILE N N 26 119.213 119.213 118.409 0.804 25495 5487 1 14 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.872 -0.087 25495 5488 1 14 . 1 1 26 26 ILE CA C 26 63.688 63.688 63.609 0.079 25495 5489 1 14 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.391 -0.437 25495 5490 1 14 . 1 1 26 26 ILE H H 26 7.221 7.221 7.274 -0.053 25495 5491 1 14 . 1 1 27 27 PHE N N 27 123.265 123.265 119.537 3.728 25495 5492 1 14 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.136 0.602 25495 5493 1 14 . 1 1 27 27 PHE CA C 27 60.009 60.009 60.771 -0.762 25495 5494 1 14 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.865 1.445 25495 5495 1 14 . 1 1 27 27 PHE H H 27 8.287 8.287 8.171 0.116 25495 5496 1 14 . 1 1 28 28 VAL N N 28 106.013 106.013 113.509 -7.496 25495 5497 1 14 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.869 0.104 25495 5498 1 14 . 1 1 28 28 VAL CA C 28 61.298 61.298 60.932 0.366 25495 5499 1 14 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.740 1.839 25495 5500 1 14 . 1 1 28 28 VAL H H 28 7.544 7.544 7.472 0.072 25495 5501 1 14 . 1 1 29 29 LEU N N 29 125.830 125.830 118.806 7.024 25495 5502 1 14 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.100 -0.024 25495 5503 1 14 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.419 1.097 25495 5504 1 14 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.187 1.390 25495 5505 1 14 . 1 1 29 29 LEU H H 29 7.240 7.240 7.424 -0.184 25495 5506 1 14 . 1 1 30 30 GLY N N 30 112.625 112.625 109.469 3.156 25495 5507 1 14 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.759 0.650 25495 5508 1 14 . 1 1 30 30 GLY H H 30 8.879 8.879 8.116 0.763 25495 5509 1 14 . 1 1 31 31 ALA N N 31 124.424 124.424 125.259 -0.835 25495 5510 1 14 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.395 0.056 25495 5511 1 14 . 1 1 31 31 ALA CA C 31 52.173 52.173 50.932 1.241 25495 5512 1 14 . 1 1 31 31 ALA CB C 31 19.857 19.857 18.301 1.556 25495 5513 1 14 . 1 1 31 31 ALA H H 31 8.077 8.077 8.147 -0.070 25495 5514 1 14 . 1 1 32 32 GLU N N 32 125.293 125.293 124.839 0.454 25495 5515 1 14 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.000 0.086 25495 5516 1 14 . 1 1 32 32 GLU CA C 32 59.108 59.108 59.185 -0.077 25495 5517 1 14 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.428 0.398 25495 5518 1 14 . 1 1 32 32 GLU H H 32 9.216 9.216 8.451 0.765 25495 5519 1 14 . 1 1 33 33 ASP N N 33 115.502 115.502 117.113 -1.611 25495 5520 1 14 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.529 0.180 25495 5521 1 14 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.566 -1.574 25495 5522 1 14 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.751 0.327 25495 5523 1 14 . 1 1 33 33 ASP H H 33 8.177 8.177 8.173 0.004 25495 5524 1 14 . 1 1 34 34 GLY N N 34 105.896 105.896 107.374 -1.478 25495 5525 1 14 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.504 1.134 25495 5526 1 14 . 1 1 34 34 GLY H H 34 7.588 7.588 8.082 -0.494 25495 5527 1 14 . 1 1 35 35 CYS N N 35 114.179 114.179 118.158 -3.979 25495 5528 1 14 . 1 1 35 35 CYS HA H 35 4.989 4.989 5.056 -0.067 25495 5529 1 14 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.979 -0.311 25495 5530 1 14 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.441 1.296 25495 5531 1 14 . 1 1 35 35 CYS H H 35 7.438 7.438 7.526 -0.088 25495 5532 1 14 . 1 1 36 36 ILE N N 36 119.578 119.578 125.478 -5.900 25495 5533 1 14 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.313 -0.607 25495 5534 1 14 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.285 1.476 25495 5535 1 14 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.941 0.845 25495 5536 1 14 . 1 1 36 36 ILE H H 36 8.847 8.847 8.461 0.386 25495 5537 1 14 . 1 1 37 37 SER N N 37 126.282 126.282 122.118 4.164 25495 5538 1 14 . 1 1 37 37 SER HA H 37 5.059 5.059 5.060 -0.001 25495 5539 1 14 . 1 1 37 37 SER CA C 37 57.226 57.226 56.529 0.697 25495 5540 1 14 . 1 1 37 37 SER CB C 37 66.983 66.983 65.987 0.995 25495 5541 1 14 . 1 1 37 37 SER H H 37 9.462 9.462 8.595 0.867 25495 5542 1 14 . 1 1 38 38 THR N N 38 112.015 112.015 113.021 -1.006 25495 5543 1 14 . 1 1 38 38 THR HA H 38 3.730 3.730 4.119 -0.389 25495 5544 1 14 . 1 1 38 38 THR CA C 38 66.443 66.443 65.370 1.073 25495 5545 1 14 . 1 1 38 38 THR CB C 38 67.740 67.740 68.341 -0.601 25495 5546 1 14 . 1 1 38 38 THR H H 38 8.796 8.796 8.900 -0.104 25495 5547 1 14 . 1 1 39 39 LYS N N 39 123.244 123.244 121.975 1.269 25495 5548 1 14 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.045 0.015 25495 5549 1 14 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.506 0.051 25495 5550 1 14 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.253 -0.013 25495 5551 1 14 . 1 1 39 39 LYS H H 39 8.050 8.050 7.576 0.474 25495 5552 1 14 . 1 1 40 40 GLU N N 40 119.359 119.359 120.242 -0.883 25495 5553 1 14 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.027 0.171 25495 5554 1 14 . 1 1 40 40 GLU CA C 40 60.766 60.766 58.988 1.778 25495 5555 1 14 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.342 0.572 25495 5556 1 14 . 1 1 40 40 GLU H H 40 7.750 7.750 7.835 -0.085 25495 5557 1 14 . 1 1 41 41 LEU N N 41 119.256 119.256 120.397 -1.141 25495 5558 1 14 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.019 0.179 25495 5559 1 14 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.828 0.056 25495 5560 1 14 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.663 0.915 25495 5561 1 14 . 1 1 41 41 LEU H H 41 8.349 8.349 8.358 -0.009 25495 5562 1 14 . 1 1 42 42 GLY N N 42 106.053 106.053 106.437 -0.384 25495 5563 1 14 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.186 0.954 25495 5564 1 14 . 1 1 42 42 GLY H H 42 8.503 8.503 8.015 0.488 25495 5565 1 14 . 1 1 43 43 LYS N N 43 120.946 120.946 122.463 -1.517 25495 5566 1 14 . 1 1 43 43 LYS HA H 43 4.007 4.007 3.964 0.043 25495 5567 1 14 . 1 1 43 43 LYS CA C 43 59.961 59.961 59.244 0.717 25495 5568 1 14 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.286 0.088 25495 5569 1 14 . 1 1 43 43 LYS H H 43 7.319 7.319 7.480 -0.161 25495 5570 1 14 . 1 1 44 44 VAL N N 44 119.639 119.639 120.444 -0.805 25495 5571 1 14 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.616 -0.021 25495 5572 1 14 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.478 -0.172 25495 5573 1 14 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.378 0.414 25495 5574 1 14 . 1 1 44 44 VAL H H 44 7.570 7.570 7.522 0.048 25495 5575 1 14 . 1 1 45 45 MET N N 45 116.846 116.846 117.736 -0.890 25495 5576 1 14 . 1 1 45 45 MET HA H 45 4.186 4.186 4.084 0.102 25495 5577 1 14 . 1 1 45 45 MET CA C 45 58.345 58.345 57.928 0.417 25495 5578 1 14 . 1 1 45 45 MET CB C 45 31.125 31.125 31.451 -0.326 25495 5579 1 14 . 1 1 45 45 MET H H 45 8.438 8.438 7.961 0.477 25495 5580 1 14 . 1 1 46 46 ARG N N 46 118.762 118.762 120.786 -2.024 25495 5581 1 14 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.363 0.289 25495 5582 1 14 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.285 0.066 25495 5583 1 14 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.024 0.031 25495 5584 1 14 . 1 1 46 46 ARG H H 46 8.114 8.114 8.024 0.090 25495 5585 1 14 . 1 1 47 47 MET N N 47 122.339 122.339 120.221 2.118 25495 5586 1 14 . 1 1 47 47 MET HA H 47 4.225 4.225 4.170 0.055 25495 5587 1 14 . 1 1 47 47 MET CA C 47 59.117 59.117 58.586 0.531 25495 5588 1 14 . 1 1 47 47 MET CB C 47 32.404 32.404 32.607 -0.203 25495 5589 1 14 . 1 1 47 47 MET H H 47 7.889 7.889 7.617 0.272 25495 5590 1 14 . 1 1 48 48 LEU N N 48 117.654 117.654 116.814 0.840 25495 5591 1 14 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.260 0.148 25495 5592 1 14 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.208 -0.551 25495 5593 1 14 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.134 -0.355 25495 5594 1 14 . 1 1 48 48 LEU H H 48 7.516 7.516 7.671 -0.155 25495 5595 1 14 . 1 1 49 49 GLY N N 49 107.494 107.494 105.663 1.831 25495 5596 1 14 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.705 1.194 25495 5597 1 14 . 1 1 49 49 GLY H H 49 7.875 7.875 7.765 0.110 25495 5598 1 14 . 1 1 50 50 GLN N N 50 118.165 118.165 120.600 -2.435 25495 5599 1 14 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.534 -0.030 25495 5600 1 14 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.048 0.014 25495 5601 1 14 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.720 0.376 25495 5602 1 14 . 1 1 50 50 GLN H H 50 8.025 8.025 8.296 -0.271 25495 5603 1 14 . 1 1 51 51 ASN N N 51 116.752 116.752 122.441 -5.689 25495 5604 1 14 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.110 0.046 25495 5605 1 14 . 1 1 51 51 ASN CA C 51 51.184 51.184 51.177 0.007 25495 5606 1 14 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.923 0.328 25495 5607 1 14 . 1 1 51 51 ASN H H 51 8.706 8.706 8.586 0.120 25495 5608 1 14 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.556 0.215 25495 5609 1 14 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.807 -0.584 25495 5610 1 14 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.236 -0.220 25495 5611 1 14 . 1 1 53 53 THR N N 53 114.441 114.441 107.788 6.653 25495 5612 1 14 . 1 1 53 53 THR HA H 53 4.623 4.623 4.751 -0.128 25495 5613 1 14 . 1 1 53 53 THR CA C 53 60.314 60.314 59.033 1.281 25495 5614 1 14 . 1 1 53 53 THR CB C 53 68.422 68.422 69.650 -1.228 25495 5615 1 14 . 1 1 53 53 THR H H 53 8.899 8.899 7.774 1.125 25495 5616 1 14 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.159 0.022 25495 5617 1 14 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.861 0.326 25495 5618 1 14 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.782 -0.014 25495 5619 1 14 . 1 1 55 55 GLU N N 55 117.303 117.303 116.934 0.369 25495 5620 1 14 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.031 -0.006 25495 5621 1 14 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.836 0.674 25495 5622 1 14 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.133 -0.367 25495 5623 1 14 . 1 1 55 55 GLU H H 55 8.751 8.751 8.912 -0.161 25495 5624 1 14 . 1 1 56 56 GLU N N 56 121.627 121.627 119.518 2.109 25495 5625 1 14 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.116 -0.119 25495 5626 1 14 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.745 0.455 25495 5627 1 14 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.435 0.614 25495 5628 1 14 . 1 1 56 56 GLU H H 56 7.813 7.813 7.611 0.202 25495 5629 1 14 . 1 1 57 57 LEU N N 57 118.921 118.921 119.934 -1.013 25495 5630 1 14 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.019 0.013 25495 5631 1 14 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.934 -0.160 25495 5632 1 14 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.579 1.069 25495 5633 1 14 . 1 1 57 57 LEU H H 57 8.143 8.143 8.427 -0.284 25495 5634 1 14 . 1 1 58 58 GLN N N 58 117.966 117.966 118.793 -0.827 25495 5635 1 14 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.970 -0.264 25495 5636 1 14 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.677 -0.440 25495 5637 1 14 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.161 0.322 25495 5638 1 14 . 1 1 58 58 GLN H H 58 8.001 8.001 8.384 -0.383 25495 5639 1 14 . 1 1 59 59 GLU N N 59 119.177 119.177 120.580 -1.403 25495 5640 1 14 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.093 -0.052 25495 5641 1 14 . 1 1 59 59 GLU CA C 59 59.638 59.638 58.769 0.869 25495 5642 1 14 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.167 0.263 25495 5643 1 14 . 1 1 59 59 GLU H H 59 7.935 7.935 7.806 0.129 25495 5644 1 14 . 1 1 60 60 MET N N 60 117.654 117.654 119.853 -2.199 25495 5645 1 14 . 1 1 60 60 MET HA H 60 3.936 3.936 4.302 -0.366 25495 5646 1 14 . 1 1 60 60 MET CA C 60 59.488 59.488 59.156 0.332 25495 5647 1 14 . 1 1 60 60 MET CB C 60 33.570 33.570 32.703 0.867 25495 5648 1 14 . 1 1 60 60 MET H H 60 7.640 7.640 7.611 0.029 25495 5649 1 14 . 1 1 61 61 ILE N N 61 118.132 118.132 119.181 -1.049 25495 5650 1 14 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.567 -0.212 25495 5651 1 14 . 1 1 61 61 ILE CA C 61 64.391 64.391 64.951 -0.560 25495 5652 1 14 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.779 -0.340 25495 5653 1 14 . 1 1 61 61 ILE H H 61 7.334 7.334 7.709 -0.375 25495 5654 1 14 . 1 1 62 62 ASP N N 62 119.480 119.480 120.062 -0.582 25495 5655 1 14 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.403 -0.129 25495 5656 1 14 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.012 0.412 25495 5657 1 14 . 1 1 62 62 ASP CB C 62 40.307 40.307 39.999 0.307 25495 5658 1 14 . 1 1 62 62 ASP H H 62 8.754 8.754 7.989 0.765 25495 5659 1 14 . 1 1 63 63 GLU N N 63 116.032 116.032 118.266 -2.234 25495 5660 1 14 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.100 -0.069 25495 5661 1 14 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.670 0.148 25495 5662 1 14 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.007 0.452 25495 5663 1 14 . 1 1 63 63 GLU H H 63 7.588 7.588 7.870 -0.282 25495 5664 1 14 . 1 1 64 64 VAL N N 64 107.386 107.386 111.189 -3.803 25495 5665 1 14 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.324 0.202 25495 5666 1 14 . 1 1 64 64 VAL CA C 64 60.594 60.594 61.713 -1.119 25495 5667 1 14 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.875 -0.514 25495 5668 1 14 . 1 1 64 64 VAL H H 64 7.222 7.222 7.394 -0.172 25495 5669 1 14 . 1 1 65 65 ASP N N 65 121.993 121.993 121.817 0.176 25495 5670 1 14 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.908 -0.248 25495 5671 1 14 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.172 0.298 25495 5672 1 14 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.433 -1.036 25495 5673 1 14 . 1 1 65 65 ASP H H 65 7.576 7.576 7.815 -0.239 25495 5674 1 14 . 1 1 66 66 GLU N N 66 128.234 128.234 126.366 1.868 25495 5675 1 14 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.028 0.152 25495 5676 1 14 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.898 -0.427 25495 5677 1 14 . 1 1 66 66 GLU CB C 66 30.870 30.870 30.084 0.786 25495 5678 1 14 . 1 1 66 66 GLU H H 66 8.586 8.586 8.337 0.249 25495 5679 1 14 . 1 1 67 67 ASP N N 67 114.535 114.535 115.131 -0.596 25495 5680 1 14 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.577 0.145 25495 5681 1 14 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.653 -1.225 25495 5682 1 14 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.478 -0.141 25495 5683 1 14 . 1 1 67 67 ASP H H 67 7.969 7.969 7.926 0.043 25495 5684 1 14 . 1 1 68 68 GLY N N 68 108.961 108.961 108.018 0.943 25495 5685 1 14 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.949 1.229 25495 5686 1 14 . 1 1 68 68 GLY H H 68 7.766 7.766 8.387 -0.621 25495 5687 1 14 . 1 1 69 69 SER N N 69 116.683 116.683 116.927 -0.244 25495 5688 1 14 . 1 1 69 69 SER HA H 69 4.234 4.234 4.237 -0.003 25495 5689 1 14 . 1 1 69 69 SER CA C 69 60.271 60.271 59.782 0.488 25495 5690 1 14 . 1 1 69 69 SER CB C 69 64.864 64.864 63.931 0.932 25495 5691 1 14 . 1 1 69 69 SER H H 69 8.469 8.469 9.044 -0.575 25495 5692 1 14 . 1 1 70 70 GLY N N 70 116.564 116.564 110.597 5.967 25495 5693 1 14 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.456 0.237 25495 5694 1 14 . 1 1 70 70 GLY H H 70 10.834 10.834 9.177 1.657 25495 5695 1 14 . 1 1 71 71 THR N N 71 107.543 107.543 109.940 -2.397 25495 5696 1 14 . 1 1 71 71 THR HA H 71 4.891 4.891 5.079 -0.188 25495 5697 1 14 . 1 1 71 71 THR CA C 71 58.480 58.480 59.424 -0.944 25495 5698 1 14 . 1 1 71 71 THR CB C 71 73.920 73.920 72.652 1.268 25495 5699 1 14 . 1 1 71 71 THR H H 71 7.651 7.651 7.692 -0.041 25495 5700 1 14 . 1 1 72 72 VAL N N 72 126.890 126.890 122.802 4.088 25495 5701 1 14 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.821 0.247 25495 5702 1 14 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.145 0.546 25495 5703 1 14 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.113 -0.143 25495 5704 1 14 . 1 1 72 72 VAL H H 72 9.698 9.698 8.820 0.878 25495 5705 1 14 . 1 1 73 73 ASP N N 73 129.120 129.120 127.165 1.955 25495 5706 1 14 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.109 0.045 25495 5707 1 14 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.829 -0.381 25495 5708 1 14 . 1 1 73 73 ASP CB C 73 41.552 41.552 42.953 -1.401 25495 5709 1 14 . 1 1 73 73 ASP H H 73 8.807 8.807 8.176 0.631 25495 5710 1 14 . 1 1 74 74 PHE N N 74 118.110 118.110 120.898 -2.788 25495 5711 1 14 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.688 -0.355 25495 5712 1 14 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.260 -0.607 25495 5713 1 14 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.339 -0.799 25495 5714 1 14 . 1 1 74 74 PHE H H 74 8.511 8.511 8.890 -0.379 25495 5715 1 14 . 1 1 75 75 ASP N N 75 117.145 117.145 118.867 -1.722 25495 5716 1 14 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.237 -0.256 25495 5717 1 14 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.728 0.276 25495 5718 1 14 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.883 0.459 25495 5719 1 14 . 1 1 75 75 ASP H H 75 7.601 7.601 8.705 -1.104 25495 5720 1 14 . 1 1 76 76 GLU N N 76 120.605 120.605 119.678 0.927 25495 5721 1 14 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.954 0.096 25495 5722 1 14 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.112 -0.782 25495 5723 1 14 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.376 0.719 25495 5724 1 14 . 1 1 76 76 GLU H H 76 8.235 8.235 8.446 -0.211 25495 5725 1 14 . 1 1 77 77 PHE N N 77 123.122 123.122 121.870 1.252 25495 5726 1 14 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.153 -0.178 25495 5727 1 14 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.383 0.125 25495 5728 1 14 . 1 1 77 77 PHE CB C 77 39.563 39.563 38.588 0.975 25495 5729 1 14 . 1 1 77 77 PHE H H 77 8.983 8.983 8.534 0.449 25495 5730 1 14 . 1 1 78 78 LEU N N 78 118.537 118.537 118.421 0.116 25495 5731 1 14 . 1 1 78 78 LEU HA H 78 3.289 3.289 2.844 0.445 25495 5732 1 14 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.358 0.751 25495 5733 1 14 . 1 1 78 78 LEU CB C 78 41.480 41.480 40.985 0.495 25495 5734 1 14 . 1 1 78 78 LEU H H 78 7.842 7.842 7.576 0.266 25495 5735 1 14 . 1 1 79 79 VAL N N 79 117.650 117.650 119.178 -1.528 25495 5736 1 14 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.523 -0.252 25495 5737 1 14 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.665 -0.230 25495 5738 1 14 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.233 -0.219 25495 5739 1 14 . 1 1 79 79 VAL H H 79 6.834 6.834 7.419 -0.585 25495 5740 1 14 . 1 1 80 80 MET N N 80 120.117 120.117 119.323 0.794 25495 5741 1 14 . 1 1 80 80 MET HA H 80 3.550 3.550 4.010 -0.460 25495 5742 1 14 . 1 1 80 80 MET CA C 80 59.506 59.506 59.162 0.344 25495 5743 1 14 . 1 1 80 80 MET CB C 80 34.002 34.002 32.645 1.357 25495 5744 1 14 . 1 1 80 80 MET H H 80 7.990 7.990 8.253 -0.263 25495 5745 1 14 . 1 1 81 81 MET N N 81 116.622 116.622 118.911 -2.289 25495 5746 1 14 . 1 1 81 81 MET HA H 81 4.074 4.074 4.195 -0.121 25495 5747 1 14 . 1 1 81 81 MET CA C 81 56.657 56.657 57.714 -1.057 25495 5748 1 14 . 1 1 81 81 MET CB C 81 32.334 32.334 31.381 0.953 25495 5749 1 14 . 1 1 81 81 MET H H 81 8.148 8.148 7.596 0.552 25495 5750 1 14 . 1 1 82 82 VAL N N 82 117.651 117.651 119.522 -1.871 25495 5751 1 14 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.456 0.478 25495 5752 1 14 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.924 -0.747 25495 5753 1 14 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.073 0.170 25495 5754 1 14 . 1 1 82 82 VAL H H 82 8.082 8.082 8.203 -0.121 25495 5755 1 14 . 1 1 83 83 ARG N N 83 120.226 120.226 119.458 0.768 25495 5756 1 14 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.297 -0.476 25495 5757 1 14 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.280 0.310 25495 5758 1 14 . 1 1 83 83 ARG CB C 83 29.982 29.982 29.338 0.644 25495 5759 1 14 . 1 1 83 83 ARG H H 83 8.086 8.086 8.270 -0.184 25495 5760 1 14 . 1 1 84 84 CYS N N 84 115.892 115.892 119.096 -3.204 25495 5761 1 14 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.189 0.245 25495 5762 1 14 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.903 -1.366 25495 5763 1 14 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.731 -0.291 25495 5764 1 14 . 1 1 84 84 CYS H H 84 7.754 7.754 7.799 -0.045 25495 5765 1 14 . 1 1 85 85 MET HA H 85 4.416 4.416 4.235 0.181 25495 5766 1 14 . 1 1 85 85 MET CA C 85 57.720 57.720 57.641 0.079 25495 5767 1 14 . 1 1 85 85 MET CB C 85 34.275 34.275 32.810 1.465 25495 5768 1 14 . 1 1 86 86 LYS N N 86 119.961 119.961 117.132 2.829 25495 5769 1 14 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.101 0.247 25495 5770 1 14 . 1 1 86 86 LYS CA C 86 56.728 56.728 58.174 -1.446 25495 5771 1 14 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.057 0.312 25495 5772 1 14 . 1 1 86 86 LYS H H 86 7.886 7.886 7.655 0.231 25495 5773 1 14 . 1 1 87 87 ASP N N 87 121.700 121.700 118.918 2.782 25495 5774 1 14 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.400 0.321 25495 5775 1 14 . 1 1 87 87 ASP CA C 87 54.582 54.582 54.977 -0.396 25495 5776 1 14 . 1 1 87 87 ASP CB C 87 41.302 41.302 39.939 1.363 25495 5777 1 14 . 1 1 87 87 ASP H H 87 8.219 8.219 8.387 -0.168 25495 5778 1 14 . 1 1 88 88 ASP N N 88 121.739 121.739 123.304 -1.565 25495 5779 1 14 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.893 -0.161 25495 5780 1 14 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.697 0.557 25495 5781 1 14 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.579 1.769 25495 5782 1 14 . 1 1 88 88 ASP H H 88 8.256 8.256 8.517 -0.261 25495 5783 1 15 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.832 -0.176 25495 5784 1 15 . 1 1 2 2 ASP CA C 2 54.796 54.796 54.828 -0.032 25495 5785 1 15 . 1 1 2 2 ASP CB C 2 41.624 41.624 41.632 -0.008 25495 5786 1 15 . 1 1 3 3 ASP N N 3 122.846 122.846 121.577 1.269 25495 5787 1 15 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.524 -0.035 25495 5788 1 15 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.663 -0.837 25495 5789 1 15 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.374 1.047 25495 5790 1 15 . 1 1 3 3 ASP H H 3 8.509 8.509 8.567 -0.058 25495 5791 1 15 . 1 1 4 4 ILE N N 4 119.356 119.356 120.214 -0.858 25495 5792 1 15 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.868 0.048 25495 5793 1 15 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.834 -0.139 25495 5794 1 15 . 1 1 4 4 ILE CB C 4 37.856 37.856 36.949 0.907 25495 5795 1 15 . 1 1 4 4 ILE H H 4 8.227 8.227 8.050 0.177 25495 5796 1 15 . 1 1 5 5 TYR N N 5 121.143 121.143 121.252 -0.109 25495 5797 1 15 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.031 0.380 25495 5798 1 15 . 1 1 5 5 TYR CA C 5 60.139 60.139 61.935 -1.796 25495 5799 1 15 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.230 -0.442 25495 5800 1 15 . 1 1 5 5 TYR H H 5 7.639 7.639 8.113 -0.474 25495 5801 1 15 . 1 1 6 6 LYS N N 6 120.843 120.843 118.061 2.782 25495 5802 1 15 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.768 0.221 25495 5803 1 15 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.052 0.526 25495 5804 1 15 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.012 0.307 25495 5805 1 15 . 1 1 6 6 LYS H H 6 7.929 7.929 8.410 -0.481 25495 5806 1 15 . 1 1 7 7 ALA N N 7 120.497 120.497 121.101 -0.604 25495 5807 1 15 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.155 -0.011 25495 5808 1 15 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.666 -0.015 25495 5809 1 15 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.087 -0.109 25495 5810 1 15 . 1 1 7 7 ALA H H 7 7.934 7.934 8.182 -0.248 25495 5811 1 15 . 1 1 8 8 ALA N N 8 119.953 119.953 121.970 -2.017 25495 5812 1 15 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.928 0.254 25495 5813 1 15 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.754 -0.079 25495 5814 1 15 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.266 0.207 25495 5815 1 15 . 1 1 8 8 ALA H H 8 7.479 7.479 7.815 -0.336 25495 5816 1 15 . 1 1 9 9 VAL N N 9 119.227 119.227 117.324 1.903 25495 5817 1 15 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.482 0.079 25495 5818 1 15 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.231 0.017 25495 5819 1 15 . 1 1 9 9 VAL CB C 9 32.064 32.064 30.986 1.078 25495 5820 1 15 . 1 1 9 9 VAL H H 9 8.030 8.030 7.694 0.336 25495 5821 1 15 . 1 1 10 10 GLU N N 10 118.451 118.451 117.957 0.494 25495 5822 1 15 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.987 0.130 25495 5823 1 15 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.359 0.001 25495 5824 1 15 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.059 0.490 25495 5825 1 15 . 1 1 10 10 GLU H H 10 7.763 7.763 7.626 0.137 25495 5826 1 15 . 1 1 11 11 GLN N N 11 114.938 114.938 116.729 -1.791 25495 5827 1 15 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.092 0.214 25495 5828 1 15 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.773 -1.161 25495 5829 1 15 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.042 0.346 25495 5830 1 15 . 1 1 11 11 GLN H H 11 7.405 7.405 7.654 -0.249 25495 5831 1 15 . 1 1 12 12 LEU N N 12 120.828 120.828 120.860 -0.032 25495 5832 1 15 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.117 0.414 25495 5833 1 15 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.484 -0.165 25495 5834 1 15 . 1 1 12 12 LEU CB C 12 43.126 43.126 41.794 1.332 25495 5835 1 15 . 1 1 12 12 LEU H H 12 7.385 7.385 7.366 0.019 25495 5836 1 15 . 1 1 13 13 THR N N 13 113.928 113.928 114.191 -0.263 25495 5837 1 15 . 1 1 13 13 THR HA H 13 4.445 4.445 4.460 -0.015 25495 5838 1 15 . 1 1 13 13 THR CA C 13 60.804 60.804 60.408 0.396 25495 5839 1 15 . 1 1 13 13 THR CB C 13 71.151 71.151 70.381 0.770 25495 5840 1 15 . 1 1 13 13 THR H H 13 8.930 8.930 7.928 1.002 25495 5841 1 15 . 1 1 14 14 GLU N N 14 121.720 121.720 121.526 0.194 25495 5842 1 15 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.974 0.014 25495 5843 1 15 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.712 -0.754 25495 5844 1 15 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.233 0.042 25495 5845 1 15 . 1 1 14 14 GLU H H 14 9.028 9.028 8.957 0.071 25495 5846 1 15 . 1 1 15 15 GLU N N 15 117.744 117.744 119.136 -1.392 25495 5847 1 15 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.038 0.025 25495 5848 1 15 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.501 0.834 25495 5849 1 15 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.194 -0.034 25495 5850 1 15 . 1 1 15 15 GLU H H 15 8.651 8.651 8.553 0.098 25495 5851 1 15 . 1 1 16 16 GLN N N 16 119.476 119.476 119.031 0.445 25495 5852 1 15 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.140 -0.328 25495 5853 1 15 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.514 0.595 25495 5854 1 15 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.537 0.854 25495 5855 1 15 . 1 1 16 16 GLN H H 16 7.872 7.872 7.744 0.128 25495 5856 1 15 . 1 1 17 17 LYS N N 17 118.609 118.609 119.576 -0.967 25495 5857 1 15 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.157 -0.146 25495 5858 1 15 . 1 1 17 17 LYS CA C 17 61.873 61.873 60.599 1.274 25495 5859 1 15 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.275 -0.126 25495 5860 1 15 . 1 1 17 17 LYS H H 17 8.572 8.572 8.521 0.051 25495 5861 1 15 . 1 1 18 18 ASN N N 18 117.908 117.908 118.585 -0.677 25495 5862 1 15 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.476 0.088 25495 5863 1 15 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.502 -0.480 25495 5864 1 15 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.207 -0.323 25495 5865 1 15 . 1 1 18 18 ASN H H 18 8.581 8.581 8.402 0.179 25495 5866 1 15 . 1 1 19 19 GLU N N 19 123.446 123.446 119.739 3.707 25495 5867 1 15 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.113 0.065 25495 5868 1 15 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.097 0.829 25495 5869 1 15 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.373 -0.369 25495 5870 1 15 . 1 1 19 19 GLU H H 19 7.993 7.993 8.006 -0.013 25495 5871 1 15 . 1 1 20 20 PHE N N 20 117.821 117.821 121.589 -3.768 25495 5872 1 15 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.240 0.682 25495 5873 1 15 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.949 -1.105 25495 5874 1 15 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.805 -0.903 25495 5875 1 15 . 1 1 20 20 PHE H H 20 8.528 8.528 8.115 0.413 25495 5876 1 15 . 1 1 21 21 LYS N N 21 122.656 122.656 118.957 3.699 25495 5877 1 15 . 1 1 21 21 LYS HA H 21 4.029 4.029 3.023 1.006 25495 5878 1 15 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.285 -0.590 25495 5879 1 15 . 1 1 21 21 LYS CB C 21 31.651 31.651 31.894 -0.243 25495 5880 1 15 . 1 1 21 21 LYS H H 21 8.929 8.929 8.216 0.713 25495 5881 1 15 . 1 1 22 22 ALA N N 22 121.479 121.479 121.457 0.022 25495 5882 1 15 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.082 0.124 25495 5883 1 15 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.901 0.198 25495 5884 1 15 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.260 -0.394 25495 5885 1 15 . 1 1 22 22 ALA H H 22 7.799 7.799 7.519 0.280 25495 5886 1 15 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.091 -0.008 25495 5887 1 15 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.788 0.373 25495 5888 1 15 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.326 0.671 25495 5889 1 15 . 1 1 24 24 PHE N N 24 121.493 121.493 119.014 2.479 25495 5890 1 15 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.764 -0.291 25495 5891 1 15 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.685 0.741 25495 5892 1 15 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.841 0.938 25495 5893 1 15 . 1 1 24 24 PHE H H 24 9.053 9.053 8.211 0.842 25495 5894 1 15 . 1 1 25 25 ASP N N 25 116.518 116.518 118.739 -2.221 25495 5895 1 15 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.387 -0.158 25495 5896 1 15 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.596 -0.571 25495 5897 1 15 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.502 -0.639 25495 5898 1 15 . 1 1 25 25 ASP H H 25 8.512 8.512 8.213 0.299 25495 5899 1 15 . 1 1 26 26 ILE N N 26 119.213 119.213 118.972 0.241 25495 5900 1 15 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.687 0.098 25495 5901 1 15 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.338 -0.650 25495 5902 1 15 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.166 -0.212 25495 5903 1 15 . 1 1 26 26 ILE H H 26 7.221 7.221 7.394 -0.173 25495 5904 1 15 . 1 1 27 27 PHE N N 27 123.265 123.265 119.683 3.582 25495 5905 1 15 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.072 0.666 25495 5906 1 15 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.034 -1.025 25495 5907 1 15 . 1 1 27 27 PHE CB C 27 40.310 40.310 39.034 1.276 25495 5908 1 15 . 1 1 27 27 PHE H H 27 8.287 8.287 8.164 0.123 25495 5909 1 15 . 1 1 28 28 VAL N N 28 106.013 106.013 113.314 -7.301 25495 5910 1 15 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.961 0.012 25495 5911 1 15 . 1 1 28 28 VAL CA C 28 61.298 61.298 60.924 0.374 25495 5912 1 15 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.814 1.765 25495 5913 1 15 . 1 1 28 28 VAL H H 28 7.544 7.544 7.495 0.049 25495 5914 1 15 . 1 1 29 29 LEU N N 29 125.830 125.830 119.207 6.623 25495 5915 1 15 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.103 -0.027 25495 5916 1 15 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.163 1.353 25495 5917 1 15 . 1 1 29 29 LEU CB C 29 41.577 41.577 39.440 2.137 25495 5918 1 15 . 1 1 29 29 LEU H H 29 7.240 7.240 7.534 -0.294 25495 5919 1 15 . 1 1 30 30 GLY N N 30 112.625 112.625 109.993 2.632 25495 5920 1 15 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.677 0.732 25495 5921 1 15 . 1 1 30 30 GLY H H 30 8.879 8.879 8.095 0.784 25495 5922 1 15 . 1 1 31 31 ALA N N 31 124.424 124.424 125.259 -0.835 25495 5923 1 15 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.404 0.047 25495 5924 1 15 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.380 0.793 25495 5925 1 15 . 1 1 31 31 ALA CB C 31 19.857 19.857 18.433 1.424 25495 5926 1 15 . 1 1 31 31 ALA H H 31 8.077 8.077 8.086 -0.009 25495 5927 1 15 . 1 1 32 32 GLU N N 32 125.293 125.293 124.482 0.811 25495 5928 1 15 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.025 0.061 25495 5929 1 15 . 1 1 32 32 GLU CA C 32 59.108 59.108 59.224 -0.116 25495 5930 1 15 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.521 0.305 25495 5931 1 15 . 1 1 32 32 GLU H H 32 9.216 9.216 8.480 0.736 25495 5932 1 15 . 1 1 33 33 ASP N N 33 115.502 115.502 117.312 -1.810 25495 5933 1 15 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.521 0.188 25495 5934 1 15 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.285 -1.292 25495 5935 1 15 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.906 0.172 25495 5936 1 15 . 1 1 33 33 ASP H H 33 8.177 8.177 7.959 0.218 25495 5937 1 15 . 1 1 34 34 GLY N N 34 105.896 105.896 106.387 -0.491 25495 5938 1 15 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.782 0.855 25495 5939 1 15 . 1 1 34 34 GLY H H 34 7.588 7.588 7.974 -0.386 25495 5940 1 15 . 1 1 35 35 CYS N N 35 114.179 114.179 117.863 -3.684 25495 5941 1 15 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.700 0.289 25495 5942 1 15 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.268 0.400 25495 5943 1 15 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.762 0.975 25495 5944 1 15 . 1 1 35 35 CYS H H 35 7.438 7.438 7.511 -0.073 25495 5945 1 15 . 1 1 36 36 ILE N N 36 119.578 119.578 125.302 -5.724 25495 5946 1 15 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.285 -0.579 25495 5947 1 15 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.283 1.479 25495 5948 1 15 . 1 1 36 36 ILE CB C 36 39.786 39.786 37.707 2.079 25495 5949 1 15 . 1 1 36 36 ILE H H 36 8.847 8.847 8.248 0.599 25495 5950 1 15 . 1 1 37 37 SER N N 37 126.282 126.282 122.424 3.858 25495 5951 1 15 . 1 1 37 37 SER HA H 37 5.059 5.059 5.241 -0.182 25495 5952 1 15 . 1 1 37 37 SER CA C 37 57.226 57.226 56.065 1.161 25495 5953 1 15 . 1 1 37 37 SER CB C 37 66.983 66.983 66.214 0.769 25495 5954 1 15 . 1 1 37 37 SER H H 37 9.462 9.462 9.069 0.393 25495 5955 1 15 . 1 1 38 38 THR N N 38 112.015 112.015 113.563 -1.548 25495 5956 1 15 . 1 1 38 38 THR HA H 38 3.730 3.730 4.083 -0.353 25495 5957 1 15 . 1 1 38 38 THR CA C 38 66.443 66.443 65.668 0.775 25495 5958 1 15 . 1 1 38 38 THR CB C 38 67.740 67.740 68.338 -0.598 25495 5959 1 15 . 1 1 38 38 THR H H 38 8.796 8.796 8.886 -0.090 25495 5960 1 15 . 1 1 39 39 LYS N N 39 123.244 123.244 121.217 2.027 25495 5961 1 15 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.013 0.047 25495 5962 1 15 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.596 -0.039 25495 5963 1 15 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.332 -0.092 25495 5964 1 15 . 1 1 39 39 LYS H H 39 8.050 8.050 7.725 0.325 25495 5965 1 15 . 1 1 40 40 GLU N N 40 119.359 119.359 119.817 -0.458 25495 5966 1 15 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.116 0.082 25495 5967 1 15 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.121 1.645 25495 5968 1 15 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.439 0.475 25495 5969 1 15 . 1 1 40 40 GLU H H 40 7.750 7.750 7.708 0.042 25495 5970 1 15 . 1 1 41 41 LEU N N 41 119.256 119.256 120.704 -1.448 25495 5971 1 15 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.194 0.004 25495 5972 1 15 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.967 -0.083 25495 5973 1 15 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.969 0.609 25495 5974 1 15 . 1 1 41 41 LEU H H 41 8.349 8.349 8.620 -0.271 25495 5975 1 15 . 1 1 42 42 GLY N N 42 106.053 106.053 106.941 -0.888 25495 5976 1 15 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.593 0.547 25495 5977 1 15 . 1 1 42 42 GLY H H 42 8.503 8.503 8.384 0.119 25495 5978 1 15 . 1 1 43 43 LYS N N 43 120.946 120.946 121.192 -0.246 25495 5979 1 15 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.071 -0.064 25495 5980 1 15 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.981 0.980 25495 5981 1 15 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.057 0.317 25495 5982 1 15 . 1 1 43 43 LYS H H 43 7.319 7.319 7.422 -0.103 25495 5983 1 15 . 1 1 44 44 VAL N N 44 119.639 119.639 120.640 -1.001 25495 5984 1 15 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.613 -0.018 25495 5985 1 15 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.538 -0.232 25495 5986 1 15 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.270 0.522 25495 5987 1 15 . 1 1 44 44 VAL H H 44 7.570 7.570 7.608 -0.038 25495 5988 1 15 . 1 1 45 45 MET N N 45 116.846 116.846 118.161 -1.315 25495 5989 1 15 . 1 1 45 45 MET HA H 45 4.186 4.186 4.141 0.045 25495 5990 1 15 . 1 1 45 45 MET CA C 45 58.345 58.345 57.995 0.350 25495 5991 1 15 . 1 1 45 45 MET CB C 45 31.125 31.125 31.201 -0.076 25495 5992 1 15 . 1 1 45 45 MET H H 45 8.438 8.438 8.597 -0.159 25495 5993 1 15 . 1 1 46 46 ARG N N 46 118.762 118.762 120.540 -1.778 25495 5994 1 15 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.196 0.456 25495 5995 1 15 . 1 1 46 46 ARG CA C 46 59.351 59.351 58.724 0.627 25495 5996 1 15 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.704 0.351 25495 5997 1 15 . 1 1 46 46 ARG H H 46 8.114 8.114 7.782 0.332 25495 5998 1 15 . 1 1 47 47 MET N N 47 122.339 122.339 118.721 3.618 25495 5999 1 15 . 1 1 47 47 MET HA H 47 4.225 4.225 4.150 0.075 25495 6000 1 15 . 1 1 47 47 MET CA C 47 59.117 59.117 58.508 0.609 25495 6001 1 15 . 1 1 47 47 MET CB C 47 32.404 32.404 32.545 -0.141 25495 6002 1 15 . 1 1 47 47 MET H H 47 7.889 7.889 7.462 0.427 25495 6003 1 15 . 1 1 48 48 LEU N N 48 117.654 117.654 116.681 0.973 25495 6004 1 15 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.269 0.139 25495 6005 1 15 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.298 -0.641 25495 6006 1 15 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.260 -0.481 25495 6007 1 15 . 1 1 48 48 LEU H H 48 7.516 7.516 7.692 -0.176 25495 6008 1 15 . 1 1 49 49 GLY N N 49 107.494 107.494 105.533 1.961 25495 6009 1 15 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.630 1.269 25495 6010 1 15 . 1 1 49 49 GLY H H 49 7.875 7.875 7.674 0.201 25495 6011 1 15 . 1 1 50 50 GLN N N 50 118.165 118.165 120.059 -1.894 25495 6012 1 15 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.557 -0.053 25495 6013 1 15 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.087 -0.025 25495 6014 1 15 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.850 0.246 25495 6015 1 15 . 1 1 50 50 GLN H H 50 8.025 8.025 8.240 -0.215 25495 6016 1 15 . 1 1 51 51 ASN N N 51 116.752 116.752 121.944 -5.192 25495 6017 1 15 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.138 0.018 25495 6018 1 15 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.878 0.306 25495 6019 1 15 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.227 0.025 25495 6020 1 15 . 1 1 51 51 ASN H H 51 8.706 8.706 8.623 0.083 25495 6021 1 15 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.602 0.169 25495 6022 1 15 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.660 -0.438 25495 6023 1 15 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.715 -0.699 25495 6024 1 15 . 1 1 53 53 THR N N 53 114.441 114.441 111.023 3.418 25495 6025 1 15 . 1 1 53 53 THR HA H 53 4.623 4.623 4.814 -0.191 25495 6026 1 15 . 1 1 53 53 THR CA C 53 60.314 60.314 58.915 1.399 25495 6027 1 15 . 1 1 53 53 THR CB C 53 68.422 68.422 69.167 -0.745 25495 6028 1 15 . 1 1 53 53 THR H H 53 8.899 8.899 8.019 0.880 25495 6029 1 15 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.174 0.007 25495 6030 1 15 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.941 0.246 25495 6031 1 15 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.843 -0.075 25495 6032 1 15 . 1 1 55 55 GLU N N 55 117.303 117.303 117.399 -0.096 25495 6033 1 15 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.005 0.020 25495 6034 1 15 . 1 1 55 55 GLU CA C 55 60.510 60.510 60.041 0.469 25495 6035 1 15 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.273 -0.507 25495 6036 1 15 . 1 1 55 55 GLU H H 55 8.751 8.751 8.983 -0.232 25495 6037 1 15 . 1 1 56 56 GLU N N 56 121.627 121.627 119.319 2.308 25495 6038 1 15 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.210 -0.213 25495 6039 1 15 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.978 0.222 25495 6040 1 15 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.518 0.531 25495 6041 1 15 . 1 1 56 56 GLU H H 56 7.813 7.813 7.585 0.228 25495 6042 1 15 . 1 1 57 57 LEU N N 57 118.921 118.921 119.653 -0.732 25495 6043 1 15 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.123 -0.091 25495 6044 1 15 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.505 0.269 25495 6045 1 15 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.798 0.850 25495 6046 1 15 . 1 1 57 57 LEU H H 57 8.143 8.143 8.164 -0.021 25495 6047 1 15 . 1 1 58 58 GLN N N 58 117.966 117.966 119.599 -1.633 25495 6048 1 15 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.974 -0.268 25495 6049 1 15 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.850 -0.613 25495 6050 1 15 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.470 0.013 25495 6051 1 15 . 1 1 58 58 GLN H H 58 8.001 8.001 8.456 -0.455 25495 6052 1 15 . 1 1 59 59 GLU N N 59 119.177 119.177 119.103 0.074 25495 6053 1 15 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.094 -0.053 25495 6054 1 15 . 1 1 59 59 GLU CA C 59 59.638 59.638 58.663 0.975 25495 6055 1 15 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.069 0.361 25495 6056 1 15 . 1 1 59 59 GLU H H 59 7.935 7.935 7.929 0.005 25495 6057 1 15 . 1 1 60 60 MET N N 60 117.654 117.654 119.777 -2.123 25495 6058 1 15 . 1 1 60 60 MET HA H 60 3.936 3.936 4.134 -0.198 25495 6059 1 15 . 1 1 60 60 MET CA C 60 59.488 59.488 59.383 0.105 25495 6060 1 15 . 1 1 60 60 MET CB C 60 33.570 33.570 32.840 0.730 25495 6061 1 15 . 1 1 60 60 MET H H 60 7.640 7.640 7.494 0.146 25495 6062 1 15 . 1 1 61 61 ILE N N 61 118.132 118.132 118.477 -0.345 25495 6063 1 15 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.649 -0.294 25495 6064 1 15 . 1 1 61 61 ILE CA C 61 64.391 64.391 64.990 -0.599 25495 6065 1 15 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.855 -0.416 25495 6066 1 15 . 1 1 61 61 ILE H H 61 7.334 7.334 7.706 -0.372 25495 6067 1 15 . 1 1 62 62 ASP N N 62 119.480 119.480 120.566 -1.086 25495 6068 1 15 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.312 -0.038 25495 6069 1 15 . 1 1 62 62 ASP CA C 62 57.424 57.424 56.756 0.668 25495 6070 1 15 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.611 -0.304 25495 6071 1 15 . 1 1 62 62 ASP H H 62 8.754 8.754 7.805 0.949 25495 6072 1 15 . 1 1 63 63 GLU N N 63 116.032 116.032 117.998 -1.966 25495 6073 1 15 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.090 -0.059 25495 6074 1 15 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.695 0.123 25495 6075 1 15 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.771 0.688 25495 6076 1 15 . 1 1 63 63 GLU H H 63 7.588 7.588 7.890 -0.302 25495 6077 1 15 . 1 1 64 64 VAL N N 64 107.386 107.386 111.920 -4.534 25495 6078 1 15 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.308 0.218 25495 6079 1 15 . 1 1 64 64 VAL CA C 64 60.594 60.594 62.243 -1.649 25495 6080 1 15 . 1 1 64 64 VAL CB C 64 32.361 32.361 33.315 -0.954 25495 6081 1 15 . 1 1 64 64 VAL H H 64 7.222 7.222 7.347 -0.125 25495 6082 1 15 . 1 1 65 65 ASP N N 65 121.993 121.993 122.125 -0.132 25495 6083 1 15 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.500 0.160 25495 6084 1 15 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.962 -1.492 25495 6085 1 15 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.217 -0.820 25495 6086 1 15 . 1 1 65 65 ASP H H 65 7.576 7.576 8.065 -0.489 25495 6087 1 15 . 1 1 66 66 GLU N N 66 128.234 128.234 125.158 3.076 25495 6088 1 15 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.149 0.031 25495 6089 1 15 . 1 1 66 66 GLU CA C 66 58.471 58.471 57.976 0.495 25495 6090 1 15 . 1 1 66 66 GLU CB C 66 30.870 30.870 30.069 0.801 25495 6091 1 15 . 1 1 66 66 GLU H H 66 8.586 8.586 8.633 -0.047 25495 6092 1 15 . 1 1 67 67 ASP N N 67 114.535 114.535 116.358 -1.823 25495 6093 1 15 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.598 0.124 25495 6094 1 15 . 1 1 67 67 ASP CA C 67 52.428 52.428 54.097 -1.669 25495 6095 1 15 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.396 -0.059 25495 6096 1 15 . 1 1 67 67 ASP H H 67 7.969 7.969 7.942 0.027 25495 6097 1 15 . 1 1 68 68 GLY N N 68 108.961 108.961 107.148 1.813 25495 6098 1 15 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.830 1.348 25495 6099 1 15 . 1 1 68 68 GLY H H 68 7.766 7.766 7.843 -0.077 25495 6100 1 15 . 1 1 69 69 SER N N 69 116.683 116.683 116.225 0.458 25495 6101 1 15 . 1 1 69 69 SER HA H 69 4.234 4.234 4.186 0.048 25495 6102 1 15 . 1 1 69 69 SER CA C 69 60.271 60.271 59.386 0.885 25495 6103 1 15 . 1 1 69 69 SER CB C 69 64.864 64.864 64.035 0.829 25495 6104 1 15 . 1 1 69 69 SER H H 69 8.469 8.469 8.432 0.036 25495 6105 1 15 . 1 1 70 70 GLY N N 70 116.564 116.564 110.427 6.137 25495 6106 1 15 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.296 0.398 25495 6107 1 15 . 1 1 70 70 GLY H H 70 10.834 10.834 8.476 2.358 25495 6108 1 15 . 1 1 71 71 THR N N 71 107.543 107.543 110.566 -3.023 25495 6109 1 15 . 1 1 71 71 THR HA H 71 4.891 4.891 5.334 -0.443 25495 6110 1 15 . 1 1 71 71 THR CA C 71 58.480 58.480 59.773 -1.293 25495 6111 1 15 . 1 1 71 71 THR CB C 71 73.920 73.920 72.753 1.167 25495 6112 1 15 . 1 1 71 71 THR H H 71 7.651 7.651 7.604 0.047 25495 6113 1 15 . 1 1 72 72 VAL N N 72 126.890 126.890 121.759 5.131 25495 6114 1 15 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.841 0.227 25495 6115 1 15 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.321 1.370 25495 6116 1 15 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.607 0.363 25495 6117 1 15 . 1 1 72 72 VAL H H 72 9.698 9.698 8.809 0.889 25495 6118 1 15 . 1 1 73 73 ASP N N 73 129.120 129.120 126.179 2.941 25495 6119 1 15 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.049 0.105 25495 6120 1 15 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.270 0.178 25495 6121 1 15 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.723 -2.171 25495 6122 1 15 . 1 1 73 73 ASP H H 73 8.807 8.807 7.893 0.914 25495 6123 1 15 . 1 1 74 74 PHE N N 74 118.110 118.110 118.847 -0.737 25495 6124 1 15 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.890 -0.557 25495 6125 1 15 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.925 -1.272 25495 6126 1 15 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.160 -0.620 25495 6127 1 15 . 1 1 74 74 PHE H H 74 8.511 8.511 8.814 -0.303 25495 6128 1 15 . 1 1 75 75 ASP N N 75 117.145 117.145 117.917 -0.772 25495 6129 1 15 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.395 -0.414 25495 6130 1 15 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.360 0.644 25495 6131 1 15 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.730 0.612 25495 6132 1 15 . 1 1 75 75 ASP H H 75 7.601 7.601 8.657 -1.056 25495 6133 1 15 . 1 1 76 76 GLU N N 76 120.605 120.605 119.805 0.800 25495 6134 1 15 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.080 -0.030 25495 6135 1 15 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.135 -0.805 25495 6136 1 15 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.282 0.813 25495 6137 1 15 . 1 1 76 76 GLU H H 76 8.235 8.235 8.460 -0.225 25495 6138 1 15 . 1 1 77 77 PHE N N 77 123.122 123.122 120.972 2.150 25495 6139 1 15 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.162 -0.187 25495 6140 1 15 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.629 -1.121 25495 6141 1 15 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.395 0.168 25495 6142 1 15 . 1 1 77 77 PHE H H 77 8.983 8.983 8.340 0.643 25495 6143 1 15 . 1 1 78 78 LEU N N 78 118.537 118.537 119.253 -0.716 25495 6144 1 15 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.599 -0.310 25495 6145 1 15 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.827 0.282 25495 6146 1 15 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.333 0.147 25495 6147 1 15 . 1 1 78 78 LEU H H 78 7.842 7.842 7.759 0.083 25495 6148 1 15 . 1 1 79 79 VAL N N 79 117.650 117.650 120.135 -2.485 25495 6149 1 15 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.763 -0.492 25495 6150 1 15 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.724 -0.289 25495 6151 1 15 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.884 -0.870 25495 6152 1 15 . 1 1 79 79 VAL H H 79 6.834 6.834 7.752 -0.918 25495 6153 1 15 . 1 1 80 80 MET N N 80 120.117 120.117 119.350 0.767 25495 6154 1 15 . 1 1 80 80 MET HA H 80 3.550 3.550 4.006 -0.456 25495 6155 1 15 . 1 1 80 80 MET CA C 80 59.506 59.506 57.724 1.782 25495 6156 1 15 . 1 1 80 80 MET CB C 80 34.002 34.002 31.974 2.028 25495 6157 1 15 . 1 1 80 80 MET H H 80 7.990 7.990 7.599 0.391 25495 6158 1 15 . 1 1 81 81 MET N N 81 116.622 116.622 119.634 -3.012 25495 6159 1 15 . 1 1 81 81 MET HA H 81 4.074 4.074 3.960 0.114 25495 6160 1 15 . 1 1 81 81 MET CA C 81 56.657 56.657 59.320 -2.663 25495 6161 1 15 . 1 1 81 81 MET CB C 81 32.334 32.334 32.482 -0.148 25495 6162 1 15 . 1 1 81 81 MET H H 81 8.148 8.148 7.904 0.244 25495 6163 1 15 . 1 1 82 82 VAL N N 82 117.651 117.651 119.475 -1.824 25495 6164 1 15 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.555 0.379 25495 6165 1 15 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.918 -0.741 25495 6166 1 15 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.122 0.121 25495 6167 1 15 . 1 1 82 82 VAL H H 82 8.082 8.082 8.317 -0.235 25495 6168 1 15 . 1 1 83 83 ARG N N 83 120.226 120.226 119.445 0.781 25495 6169 1 15 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.102 -0.281 25495 6170 1 15 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.576 0.014 25495 6171 1 15 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.056 -0.074 25495 6172 1 15 . 1 1 83 83 ARG H H 83 8.086 8.086 7.759 0.327 25495 6173 1 15 . 1 1 84 84 CYS N N 84 115.892 115.892 117.428 -1.536 25495 6174 1 15 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.346 0.088 25495 6175 1 15 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.391 -1.854 25495 6176 1 15 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.748 -0.308 25495 6177 1 15 . 1 1 84 84 CYS H H 84 7.754 7.754 8.131 -0.377 25495 6178 1 15 . 1 1 85 85 MET HA H 85 4.416 4.416 4.191 0.225 25495 6179 1 15 . 1 1 85 85 MET CA C 85 57.720 57.720 57.773 -0.053 25495 6180 1 15 . 1 1 85 85 MET CB C 85 34.275 34.275 32.809 1.466 25495 6181 1 15 . 1 1 86 86 LYS N N 86 119.961 119.961 117.249 2.712 25495 6182 1 15 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.360 -0.012 25495 6183 1 15 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.842 -0.114 25495 6184 1 15 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.818 -0.449 25495 6185 1 15 . 1 1 86 86 LYS H H 86 7.886 7.886 7.677 0.209 25495 6186 1 15 . 1 1 87 87 ASP N N 87 121.700 121.700 121.247 0.453 25495 6187 1 15 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.708 0.013 25495 6188 1 15 . 1 1 87 87 ASP CA C 87 54.582 54.582 54.377 0.206 25495 6189 1 15 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.770 -0.468 25495 6190 1 15 . 1 1 87 87 ASP H H 87 8.219 8.219 8.176 0.043 25495 6191 1 15 . 1 1 88 88 ASP N N 88 121.739 121.739 118.428 3.311 25495 6192 1 15 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.706 0.026 25495 6193 1 15 . 1 1 88 88 ASP CA C 88 54.254 54.254 52.867 1.387 25495 6194 1 15 . 1 1 88 88 ASP CB C 88 41.348 41.348 39.594 1.754 25495 6195 1 15 . 1 1 88 88 ASP H H 88 8.256 8.256 8.539 -0.283 25495 6196 1 16 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.708 -0.052 25495 6197 1 16 . 1 1 2 2 ASP CA C 2 54.796 54.796 54.660 0.136 25495 6198 1 16 . 1 1 2 2 ASP CB C 2 41.624 41.624 41.055 0.569 25495 6199 1 16 . 1 1 3 3 ASP N N 3 122.846 122.846 121.107 1.739 25495 6200 1 16 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.542 -0.053 25495 6201 1 16 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.016 -0.190 25495 6202 1 16 . 1 1 3 3 ASP CB C 3 41.421 41.421 39.929 1.492 25495 6203 1 16 . 1 1 3 3 ASP H H 3 8.509 8.509 8.630 -0.121 25495 6204 1 16 . 1 1 4 4 ILE N N 4 119.356 119.356 120.209 -0.853 25495 6205 1 16 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.720 0.196 25495 6206 1 16 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.972 -0.278 25495 6207 1 16 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.566 0.290 25495 6208 1 16 . 1 1 4 4 ILE H H 4 8.227 8.227 7.810 0.417 25495 6209 1 16 . 1 1 5 5 TYR N N 5 121.143 121.143 119.980 1.163 25495 6210 1 16 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.924 0.487 25495 6211 1 16 . 1 1 5 5 TYR CA C 5 60.139 60.139 61.997 -1.858 25495 6212 1 16 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.262 -0.474 25495 6213 1 16 . 1 1 5 5 TYR H H 5 7.639 7.639 7.811 -0.172 25495 6214 1 16 . 1 1 6 6 LYS N N 6 120.843 120.843 118.964 1.879 25495 6215 1 16 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.747 0.242 25495 6216 1 16 . 1 1 6 6 LYS CA C 6 59.578 59.578 58.887 0.691 25495 6217 1 16 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.432 -0.113 25495 6218 1 16 . 1 1 6 6 LYS H H 6 7.929 7.929 8.019 -0.090 25495 6219 1 16 . 1 1 7 7 ALA N N 7 120.497 120.497 120.981 -0.484 25495 6220 1 16 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.046 0.098 25495 6221 1 16 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.580 0.071 25495 6222 1 16 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.285 -0.307 25495 6223 1 16 . 1 1 7 7 ALA H H 7 7.934 7.934 8.196 -0.262 25495 6224 1 16 . 1 1 8 8 ALA N N 8 119.953 119.953 121.049 -1.096 25495 6225 1 16 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.984 0.198 25495 6226 1 16 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.960 -0.285 25495 6227 1 16 . 1 1 8 8 ALA CB C 8 18.473 18.473 17.951 0.522 25495 6228 1 16 . 1 1 8 8 ALA H H 8 7.479 7.479 8.249 -0.770 25495 6229 1 16 . 1 1 9 9 VAL N N 9 119.227 119.227 118.106 1.121 25495 6230 1 16 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.432 0.129 25495 6231 1 16 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.168 0.080 25495 6232 1 16 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.719 0.345 25495 6233 1 16 . 1 1 9 9 VAL H H 9 8.030 8.030 7.348 0.682 25495 6234 1 16 . 1 1 10 10 GLU N N 10 118.451 118.451 118.404 0.047 25495 6235 1 16 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.025 0.092 25495 6236 1 16 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.687 -0.327 25495 6237 1 16 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.401 0.148 25495 6238 1 16 . 1 1 10 10 GLU H H 10 7.763 7.763 7.462 0.301 25495 6239 1 16 . 1 1 11 11 GLN N N 11 114.938 114.938 117.650 -2.712 25495 6240 1 16 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.078 0.228 25495 6241 1 16 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.939 -1.327 25495 6242 1 16 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.224 0.164 25495 6243 1 16 . 1 1 11 11 GLN H H 11 7.405 7.405 8.256 -0.851 25495 6244 1 16 . 1 1 12 12 LEU N N 12 120.828 120.828 120.742 0.086 25495 6245 1 16 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.043 0.488 25495 6246 1 16 . 1 1 12 12 LEU CA C 12 55.320 55.320 56.024 -0.704 25495 6247 1 16 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.260 0.866 25495 6248 1 16 . 1 1 12 12 LEU H H 12 7.385 7.385 7.442 -0.057 25495 6249 1 16 . 1 1 13 13 THR N N 13 113.928 113.928 113.737 0.191 25495 6250 1 16 . 1 1 13 13 THR HA H 13 4.445 4.445 4.337 0.108 25495 6251 1 16 . 1 1 13 13 THR CA C 13 60.804 60.804 60.529 0.275 25495 6252 1 16 . 1 1 13 13 THR CB C 13 71.151 71.151 70.006 1.145 25495 6253 1 16 . 1 1 13 13 THR H H 13 8.930 8.930 7.910 1.020 25495 6254 1 16 . 1 1 14 14 GLU N N 14 121.720 121.720 121.147 0.573 25495 6255 1 16 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.930 0.057 25495 6256 1 16 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.346 -0.388 25495 6257 1 16 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.358 -0.083 25495 6258 1 16 . 1 1 14 14 GLU H H 14 9.028 9.028 8.894 0.134 25495 6259 1 16 . 1 1 15 15 GLU N N 15 117.744 117.744 119.263 -1.519 25495 6260 1 16 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.091 -0.028 25495 6261 1 16 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.329 1.006 25495 6262 1 16 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.241 -0.081 25495 6263 1 16 . 1 1 15 15 GLU H H 15 8.651 8.651 8.452 0.199 25495 6264 1 16 . 1 1 16 16 GLN N N 16 119.476 119.476 118.989 0.487 25495 6265 1 16 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.301 -0.489 25495 6266 1 16 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.734 0.375 25495 6267 1 16 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.549 0.842 25495 6268 1 16 . 1 1 16 16 GLN H H 16 7.872 7.872 7.649 0.223 25495 6269 1 16 . 1 1 17 17 LYS N N 17 118.609 118.609 119.017 -0.408 25495 6270 1 16 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.133 -0.122 25495 6271 1 16 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.980 1.893 25495 6272 1 16 . 1 1 17 17 LYS CB C 17 32.149 32.149 31.968 0.181 25495 6273 1 16 . 1 1 17 17 LYS H H 17 8.572 8.572 8.026 0.546 25495 6274 1 16 . 1 1 18 18 ASN N N 18 117.908 117.908 118.909 -1.001 25495 6275 1 16 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.462 0.102 25495 6276 1 16 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.378 -0.356 25495 6277 1 16 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.511 -0.628 25495 6278 1 16 . 1 1 18 18 ASN H H 18 8.581 8.581 8.203 0.378 25495 6279 1 16 . 1 1 19 19 GLU N N 19 123.446 123.446 120.025 3.421 25495 6280 1 16 . 1 1 19 19 GLU HA H 19 4.178 4.178 3.975 0.203 25495 6281 1 16 . 1 1 19 19 GLU CA C 19 59.926 59.926 58.934 0.992 25495 6282 1 16 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.179 -0.175 25495 6283 1 16 . 1 1 19 19 GLU H H 19 7.993 7.993 8.101 -0.108 25495 6284 1 16 . 1 1 20 20 PHE N N 20 117.821 117.821 122.704 -4.883 25495 6285 1 16 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.137 0.785 25495 6286 1 16 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.767 -0.923 25495 6287 1 16 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.991 -1.089 25495 6288 1 16 . 1 1 20 20 PHE H H 20 8.528 8.528 8.000 0.528 25495 6289 1 16 . 1 1 21 21 LYS N N 21 122.656 122.656 119.378 3.278 25495 6290 1 16 . 1 1 21 21 LYS HA H 21 4.029 4.029 2.929 1.100 25495 6291 1 16 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.054 -0.359 25495 6292 1 16 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.130 -0.479 25495 6293 1 16 . 1 1 21 21 LYS H H 21 8.929 8.929 7.859 1.070 25495 6294 1 16 . 1 1 22 22 ALA N N 22 121.479 121.479 120.816 0.663 25495 6295 1 16 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.044 0.162 25495 6296 1 16 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.814 0.286 25495 6297 1 16 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.074 -0.208 25495 6298 1 16 . 1 1 22 22 ALA H H 22 7.799 7.799 7.631 0.168 25495 6299 1 16 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.018 0.065 25495 6300 1 16 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.750 0.411 25495 6301 1 16 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.094 0.903 25495 6302 1 16 . 1 1 24 24 PHE N N 24 121.493 121.493 118.349 3.144 25495 6303 1 16 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.403 0.070 25495 6304 1 16 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.608 0.818 25495 6305 1 16 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.543 1.236 25495 6306 1 16 . 1 1 24 24 PHE H H 24 9.053 9.053 7.618 1.435 25495 6307 1 16 . 1 1 25 25 ASP N N 25 116.518 116.518 119.431 -2.913 25495 6308 1 16 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.340 -0.111 25495 6309 1 16 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.231 -0.206 25495 6310 1 16 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.792 -0.929 25495 6311 1 16 . 1 1 25 25 ASP H H 25 8.512 8.512 7.811 0.701 25495 6312 1 16 . 1 1 26 26 ILE N N 26 119.213 119.213 119.136 0.077 25495 6313 1 16 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.706 0.079 25495 6314 1 16 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.698 -1.010 25495 6315 1 16 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.127 -0.173 25495 6316 1 16 . 1 1 26 26 ILE H H 26 7.221 7.221 7.537 -0.316 25495 6317 1 16 . 1 1 27 27 PHE N N 27 123.265 123.265 118.868 4.397 25495 6318 1 16 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.148 0.590 25495 6319 1 16 . 1 1 27 27 PHE CA C 27 60.009 60.009 60.425 -0.416 25495 6320 1 16 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.616 1.694 25495 6321 1 16 . 1 1 27 27 PHE H H 27 8.287 8.287 8.108 0.179 25495 6322 1 16 . 1 1 28 28 VAL N N 28 106.013 106.013 115.170 -9.157 25495 6323 1 16 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.308 -0.335 25495 6324 1 16 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.523 -0.225 25495 6325 1 16 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.080 1.499 25495 6326 1 16 . 1 1 28 28 VAL H H 28 7.544 7.544 7.485 0.059 25495 6327 1 16 . 1 1 29 29 LEU N N 29 125.830 125.830 120.348 5.482 25495 6328 1 16 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.327 -0.251 25495 6329 1 16 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.031 0.485 25495 6330 1 16 . 1 1 29 29 LEU CB C 29 41.577 41.577 41.226 0.351 25495 6331 1 16 . 1 1 29 29 LEU H H 29 7.240 7.240 7.629 -0.389 25495 6332 1 16 . 1 1 30 30 GLY N N 30 112.625 112.625 104.554 8.071 25495 6333 1 16 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.413 0.997 25495 6334 1 16 . 1 1 30 30 GLY H H 30 8.879 8.879 7.867 1.012 25495 6335 1 16 . 1 1 31 31 ALA N N 31 124.424 124.424 123.252 1.172 25495 6336 1 16 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.623 -0.172 25495 6337 1 16 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.001 1.172 25495 6338 1 16 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.499 0.358 25495 6339 1 16 . 1 1 31 31 ALA H H 31 8.077 8.077 7.534 0.543 25495 6340 1 16 . 1 1 32 32 GLU N N 32 125.293 125.293 123.339 1.954 25495 6341 1 16 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.015 0.071 25495 6342 1 16 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.894 0.214 25495 6343 1 16 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.817 0.009 25495 6344 1 16 . 1 1 32 32 GLU H H 32 9.216 9.216 8.812 0.404 25495 6345 1 16 . 1 1 33 33 ASP N N 33 115.502 115.502 117.235 -1.733 25495 6346 1 16 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.536 0.173 25495 6347 1 16 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.548 -1.556 25495 6348 1 16 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.579 0.499 25495 6349 1 16 . 1 1 33 33 ASP H H 33 8.177 8.177 8.156 0.021 25495 6350 1 16 . 1 1 34 34 GLY N N 34 105.896 105.896 106.420 -0.524 25495 6351 1 16 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.274 1.364 25495 6352 1 16 . 1 1 34 34 GLY H H 34 7.588 7.588 7.684 -0.096 25495 6353 1 16 . 1 1 35 35 CYS N N 35 114.179 114.179 118.710 -4.531 25495 6354 1 16 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.696 0.293 25495 6355 1 16 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.569 0.099 25495 6356 1 16 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.217 1.520 25495 6357 1 16 . 1 1 35 35 CYS H H 35 7.438 7.438 7.722 -0.284 25495 6358 1 16 . 1 1 36 36 ILE N N 36 119.578 119.578 125.162 -5.584 25495 6359 1 16 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.178 -0.472 25495 6360 1 16 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.605 1.157 25495 6361 1 16 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.102 1.684 25495 6362 1 16 . 1 1 36 36 ILE H H 36 8.847 8.847 8.303 0.544 25495 6363 1 16 . 1 1 37 37 SER N N 37 126.282 126.282 122.988 3.294 25495 6364 1 16 . 1 1 37 37 SER HA H 37 5.059 5.059 5.018 0.041 25495 6365 1 16 . 1 1 37 37 SER CA C 37 57.226 57.226 56.455 0.771 25495 6366 1 16 . 1 1 37 37 SER CB C 37 66.983 66.983 65.983 1.000 25495 6367 1 16 . 1 1 37 37 SER H H 37 9.462 9.462 8.489 0.973 25495 6368 1 16 . 1 1 38 38 THR N N 38 112.015 112.015 114.708 -2.693 25495 6369 1 16 . 1 1 38 38 THR HA H 38 3.730 3.730 4.068 -0.338 25495 6370 1 16 . 1 1 38 38 THR CA C 38 66.443 66.443 66.079 0.364 25495 6371 1 16 . 1 1 38 38 THR CB C 38 67.740 67.740 68.288 -0.548 25495 6372 1 16 . 1 1 38 38 THR H H 38 8.796 8.796 8.802 -0.006 25495 6373 1 16 . 1 1 39 39 LYS N N 39 123.244 123.244 121.609 1.635 25495 6374 1 16 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.008 0.052 25495 6375 1 16 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.596 -0.040 25495 6376 1 16 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.173 0.067 25495 6377 1 16 . 1 1 39 39 LYS H H 39 8.050 8.050 7.531 0.519 25495 6378 1 16 . 1 1 40 40 GLU N N 40 119.359 119.359 119.602 -0.243 25495 6379 1 16 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.034 0.164 25495 6380 1 16 . 1 1 40 40 GLU CA C 40 60.766 60.766 58.608 2.158 25495 6381 1 16 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.371 0.543 25495 6382 1 16 . 1 1 40 40 GLU H H 40 7.750 7.750 7.520 0.230 25495 6383 1 16 . 1 1 41 41 LEU N N 41 119.256 119.256 120.092 -0.836 25495 6384 1 16 . 1 1 41 41 LEU HA H 41 4.198 4.198 3.966 0.232 25495 6385 1 16 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.554 0.329 25495 6386 1 16 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.713 0.865 25495 6387 1 16 . 1 1 41 41 LEU H H 41 8.349 8.349 8.676 -0.327 25495 6388 1 16 . 1 1 42 42 GLY N N 42 106.053 106.053 107.261 -1.208 25495 6389 1 16 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.092 1.048 25495 6390 1 16 . 1 1 42 42 GLY H H 42 8.503 8.503 8.450 0.053 25495 6391 1 16 . 1 1 43 43 LYS N N 43 120.946 120.946 121.741 -0.795 25495 6392 1 16 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.046 -0.039 25495 6393 1 16 . 1 1 43 43 LYS CA C 43 59.961 59.961 59.054 0.907 25495 6394 1 16 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.418 -0.044 25495 6395 1 16 . 1 1 43 43 LYS H H 43 7.319 7.319 7.506 -0.187 25495 6396 1 16 . 1 1 44 44 VAL N N 44 119.639 119.639 119.678 -0.039 25495 6397 1 16 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.540 0.055 25495 6398 1 16 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.115 0.191 25495 6399 1 16 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.139 0.653 25495 6400 1 16 . 1 1 44 44 VAL H H 44 7.570 7.570 7.468 0.102 25495 6401 1 16 . 1 1 45 45 MET N N 45 116.846 116.846 117.247 -0.401 25495 6402 1 16 . 1 1 45 45 MET HA H 45 4.186 4.186 4.085 0.101 25495 6403 1 16 . 1 1 45 45 MET CA C 45 58.345 58.345 57.589 0.756 25495 6404 1 16 . 1 1 45 45 MET CB C 45 31.125 31.125 31.149 -0.024 25495 6405 1 16 . 1 1 45 45 MET H H 45 8.438 8.438 8.445 -0.007 25495 6406 1 16 . 1 1 46 46 ARG N N 46 118.762 118.762 119.899 -1.137 25495 6407 1 16 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.119 0.533 25495 6408 1 16 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.314 0.037 25495 6409 1 16 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.096 -0.041 25495 6410 1 16 . 1 1 46 46 ARG H H 46 8.114 8.114 7.503 0.611 25495 6411 1 16 . 1 1 47 47 MET N N 47 122.339 122.339 117.543 4.796 25495 6412 1 16 . 1 1 47 47 MET HA H 47 4.225 4.225 4.157 0.068 25495 6413 1 16 . 1 1 47 47 MET CA C 47 59.117 59.117 58.217 0.900 25495 6414 1 16 . 1 1 47 47 MET CB C 47 32.404 32.404 32.394 0.010 25495 6415 1 16 . 1 1 47 47 MET H H 47 7.889 7.889 7.473 0.416 25495 6416 1 16 . 1 1 48 48 LEU N N 48 117.654 117.654 118.162 -0.508 25495 6417 1 16 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.191 0.217 25495 6418 1 16 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.640 -0.983 25495 6419 1 16 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.302 -0.523 25495 6420 1 16 . 1 1 48 48 LEU H H 48 7.516 7.516 7.357 0.159 25495 6421 1 16 . 1 1 49 49 GLY N N 49 107.494 107.494 105.342 2.152 25495 6422 1 16 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.460 1.439 25495 6423 1 16 . 1 1 49 49 GLY H H 49 7.875 7.875 7.688 0.187 25495 6424 1 16 . 1 1 50 50 GLN N N 50 118.165 118.165 119.753 -1.588 25495 6425 1 16 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.521 -0.017 25495 6426 1 16 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.554 -0.492 25495 6427 1 16 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.507 -0.411 25495 6428 1 16 . 1 1 50 50 GLN H H 50 8.025 8.025 7.816 0.209 25495 6429 1 16 . 1 1 51 51 ASN N N 51 116.752 116.752 121.089 -4.337 25495 6430 1 16 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.129 0.027 25495 6431 1 16 . 1 1 51 51 ASN CA C 51 51.184 51.184 51.132 0.052 25495 6432 1 16 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.498 0.754 25495 6433 1 16 . 1 1 51 51 ASN H H 51 8.706 8.706 8.605 0.101 25495 6434 1 16 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.623 0.148 25495 6435 1 16 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.865 -0.642 25495 6436 1 16 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.179 -0.163 25495 6437 1 16 . 1 1 53 53 THR N N 53 114.441 114.441 109.910 4.531 25495 6438 1 16 . 1 1 53 53 THR HA H 53 4.623 4.623 4.722 -0.099 25495 6439 1 16 . 1 1 53 53 THR CA C 53 60.314 60.314 59.364 0.951 25495 6440 1 16 . 1 1 53 53 THR CB C 53 68.422 68.422 70.121 -1.698 25495 6441 1 16 . 1 1 53 53 THR H H 53 8.899 8.899 7.922 0.977 25495 6442 1 16 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.305 -0.124 25495 6443 1 16 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.295 0.892 25495 6444 1 16 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.858 -0.090 25495 6445 1 16 . 1 1 55 55 GLU N N 55 117.303 117.303 117.693 -0.390 25495 6446 1 16 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.102 -0.077 25495 6447 1 16 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.740 0.770 25495 6448 1 16 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.743 0.023 25495 6449 1 16 . 1 1 55 55 GLU H H 55 8.751 8.751 8.988 -0.237 25495 6450 1 16 . 1 1 56 56 GLU N N 56 121.627 121.627 119.615 2.012 25495 6451 1 16 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.128 -0.131 25495 6452 1 16 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.671 0.529 25495 6453 1 16 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.337 0.712 25495 6454 1 16 . 1 1 56 56 GLU H H 56 7.813 7.813 7.714 0.099 25495 6455 1 16 . 1 1 57 57 LEU N N 57 118.921 118.921 120.126 -1.205 25495 6456 1 16 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.016 0.016 25495 6457 1 16 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.974 -0.201 25495 6458 1 16 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.576 1.072 25495 6459 1 16 . 1 1 57 57 LEU H H 57 8.143 8.143 7.723 0.420 25495 6460 1 16 . 1 1 58 58 GLN N N 58 117.966 117.966 118.949 -0.983 25495 6461 1 16 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.948 -0.242 25495 6462 1 16 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.827 -0.590 25495 6463 1 16 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.132 0.351 25495 6464 1 16 . 1 1 58 58 GLN H H 58 8.001 8.001 8.370 -0.369 25495 6465 1 16 . 1 1 59 59 GLU N N 59 119.177 119.177 119.347 -0.170 25495 6466 1 16 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.076 -0.035 25495 6467 1 16 . 1 1 59 59 GLU CA C 59 59.638 59.638 58.743 0.895 25495 6468 1 16 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.209 0.221 25495 6469 1 16 . 1 1 59 59 GLU H H 59 7.935 7.935 7.830 0.105 25495 6470 1 16 . 1 1 60 60 MET N N 60 117.654 117.654 121.172 -3.518 25495 6471 1 16 . 1 1 60 60 MET HA H 60 3.936 3.936 4.126 -0.190 25495 6472 1 16 . 1 1 60 60 MET CA C 60 59.488 59.488 59.496 -0.008 25495 6473 1 16 . 1 1 60 60 MET CB C 60 33.570 33.570 32.739 0.831 25495 6474 1 16 . 1 1 60 60 MET H H 60 7.640 7.640 7.947 -0.307 25495 6475 1 16 . 1 1 61 61 ILE N N 61 118.132 118.132 119.907 -1.775 25495 6476 1 16 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.553 -0.198 25495 6477 1 16 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.562 -1.171 25495 6478 1 16 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.525 -0.086 25495 6479 1 16 . 1 1 61 61 ILE H H 61 7.334 7.334 8.267 -0.933 25495 6480 1 16 . 1 1 62 62 ASP N N 62 119.480 119.480 119.765 -0.285 25495 6481 1 16 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.387 -0.113 25495 6482 1 16 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.034 0.390 25495 6483 1 16 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.227 0.080 25495 6484 1 16 . 1 1 62 62 ASP H H 62 8.754 8.754 7.819 0.935 25495 6485 1 16 . 1 1 63 63 GLU N N 63 116.032 116.032 118.779 -2.747 25495 6486 1 16 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.115 -0.084 25495 6487 1 16 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.806 0.013 25495 6488 1 16 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.176 0.283 25495 6489 1 16 . 1 1 63 63 GLU H H 63 7.588 7.588 7.865 -0.277 25495 6490 1 16 . 1 1 64 64 VAL N N 64 107.386 107.386 116.024 -8.638 25495 6491 1 16 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.930 0.596 25495 6492 1 16 . 1 1 64 64 VAL CA C 64 60.594 60.594 65.066 -4.472 25495 6493 1 16 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.086 0.275 25495 6494 1 16 . 1 1 64 64 VAL H H 64 7.222 7.222 7.577 -0.355 25495 6495 1 16 . 1 1 65 65 ASP N N 65 121.993 121.993 119.918 2.075 25495 6496 1 16 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.636 0.024 25495 6497 1 16 . 1 1 65 65 ASP CA C 65 53.470 53.470 53.513 -0.043 25495 6498 1 16 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.210 -0.813 25495 6499 1 16 . 1 1 65 65 ASP H H 65 7.576 7.576 8.250 -0.674 25495 6500 1 16 . 1 1 66 66 GLU N N 66 128.234 128.234 125.454 2.780 25495 6501 1 16 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.109 0.071 25495 6502 1 16 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.684 -0.213 25495 6503 1 16 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.775 1.095 25495 6504 1 16 . 1 1 66 66 GLU H H 66 8.586 8.586 8.647 -0.061 25495 6505 1 16 . 1 1 67 67 ASP N N 67 114.535 114.535 115.617 -1.082 25495 6506 1 16 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.685 0.037 25495 6507 1 16 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.957 -1.529 25495 6508 1 16 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.505 -0.168 25495 6509 1 16 . 1 1 67 67 ASP H H 67 7.969 7.969 8.231 -0.262 25495 6510 1 16 . 1 1 68 68 GLY N N 68 108.961 108.961 107.903 1.058 25495 6511 1 16 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.698 1.480 25495 6512 1 16 . 1 1 68 68 GLY H H 68 7.766 7.766 8.173 -0.407 25495 6513 1 16 . 1 1 69 69 SER N N 69 116.683 116.683 116.053 0.630 25495 6514 1 16 . 1 1 69 69 SER HA H 69 4.234 4.234 4.102 0.132 25495 6515 1 16 . 1 1 69 69 SER CA C 69 60.271 60.271 60.124 0.147 25495 6516 1 16 . 1 1 69 69 SER CB C 69 64.864 64.864 63.684 1.180 25495 6517 1 16 . 1 1 69 69 SER H H 69 8.469 8.469 8.097 0.372 25495 6518 1 16 . 1 1 70 70 GLY N N 70 116.564 116.564 109.196 7.368 25495 6519 1 16 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.329 0.365 25495 6520 1 16 . 1 1 70 70 GLY H H 70 10.834 10.834 8.584 2.250 25495 6521 1 16 . 1 1 71 71 THR N N 71 107.543 107.543 110.960 -3.417 25495 6522 1 16 . 1 1 71 71 THR HA H 71 4.891 4.891 5.195 -0.304 25495 6523 1 16 . 1 1 71 71 THR CA C 71 58.480 58.480 59.941 -1.461 25495 6524 1 16 . 1 1 71 71 THR CB C 71 73.920 73.920 72.588 1.332 25495 6525 1 16 . 1 1 71 71 THR H H 71 7.651 7.651 7.312 0.339 25495 6526 1 16 . 1 1 72 72 VAL N N 72 126.890 126.890 121.893 4.997 25495 6527 1 16 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.534 0.534 25495 6528 1 16 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.777 -0.086 25495 6529 1 16 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.558 0.412 25495 6530 1 16 . 1 1 72 72 VAL H H 72 9.698 9.698 8.795 0.903 25495 6531 1 16 . 1 1 73 73 ASP N N 73 129.120 129.120 127.518 1.602 25495 6532 1 16 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.129 0.025 25495 6533 1 16 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.130 0.318 25495 6534 1 16 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.636 -2.084 25495 6535 1 16 . 1 1 73 73 ASP H H 73 8.807 8.807 8.278 0.529 25495 6536 1 16 . 1 1 74 74 PHE N N 74 118.110 118.110 119.191 -1.081 25495 6537 1 16 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.942 -0.609 25495 6538 1 16 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.984 -1.331 25495 6539 1 16 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.940 -0.400 25495 6540 1 16 . 1 1 74 74 PHE H H 74 8.511 8.511 8.721 -0.210 25495 6541 1 16 . 1 1 75 75 ASP N N 75 117.145 117.145 118.977 -1.832 25495 6542 1 16 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.480 -0.499 25495 6543 1 16 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.415 -0.411 25495 6544 1 16 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.886 0.456 25495 6545 1 16 . 1 1 75 75 ASP H H 75 7.601 7.601 8.813 -1.212 25495 6546 1 16 . 1 1 76 76 GLU N N 76 120.605 120.605 119.939 0.666 25495 6547 1 16 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.108 -0.058 25495 6548 1 16 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.298 -0.968 25495 6549 1 16 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.449 0.646 25495 6550 1 16 . 1 1 76 76 GLU H H 76 8.235 8.235 8.637 -0.402 25495 6551 1 16 . 1 1 77 77 PHE N N 77 123.122 123.122 121.690 1.432 25495 6552 1 16 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.301 -0.326 25495 6553 1 16 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.747 -1.239 25495 6554 1 16 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.447 0.117 25495 6555 1 16 . 1 1 77 77 PHE H H 77 8.983 8.983 8.712 0.271 25495 6556 1 16 . 1 1 78 78 LEU N N 78 118.537 118.537 118.586 -0.049 25495 6557 1 16 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.856 -0.567 25495 6558 1 16 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.898 0.211 25495 6559 1 16 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.551 -0.071 25495 6560 1 16 . 1 1 78 78 LEU H H 78 7.842 7.842 7.922 -0.080 25495 6561 1 16 . 1 1 79 79 VAL N N 79 117.650 117.650 119.634 -1.984 25495 6562 1 16 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.573 -0.302 25495 6563 1 16 . 1 1 79 79 VAL CA C 79 66.435 66.435 67.207 -0.772 25495 6564 1 16 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.941 -0.927 25495 6565 1 16 . 1 1 79 79 VAL H H 79 6.834 6.834 7.664 -0.830 25495 6566 1 16 . 1 1 80 80 MET N N 80 120.117 120.117 119.544 0.573 25495 6567 1 16 . 1 1 80 80 MET HA H 80 3.550 3.550 4.001 -0.451 25495 6568 1 16 . 1 1 80 80 MET CA C 80 59.506 59.506 59.053 0.453 25495 6569 1 16 . 1 1 80 80 MET CB C 80 34.002 34.002 32.202 1.800 25495 6570 1 16 . 1 1 80 80 MET H H 80 7.990 7.990 8.356 -0.366 25495 6571 1 16 . 1 1 81 81 MET N N 81 116.622 116.622 120.281 -3.659 25495 6572 1 16 . 1 1 81 81 MET HA H 81 4.074 4.074 4.013 0.061 25495 6573 1 16 . 1 1 81 81 MET CA C 81 56.657 56.657 59.091 -2.434 25495 6574 1 16 . 1 1 81 81 MET CB C 81 32.334 32.334 32.662 -0.328 25495 6575 1 16 . 1 1 81 81 MET H H 81 8.148 8.148 7.446 0.702 25495 6576 1 16 . 1 1 82 82 VAL N N 82 117.651 117.651 118.825 -1.174 25495 6577 1 16 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.600 0.334 25495 6578 1 16 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.851 -0.674 25495 6579 1 16 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.223 0.020 25495 6580 1 16 . 1 1 82 82 VAL H H 82 8.082 8.082 7.725 0.357 25495 6581 1 16 . 1 1 83 83 ARG N N 83 120.226 120.226 120.740 -0.514 25495 6582 1 16 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.058 -0.237 25495 6583 1 16 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.701 -0.111 25495 6584 1 16 . 1 1 83 83 ARG CB C 83 29.982 29.982 29.989 -0.007 25495 6585 1 16 . 1 1 83 83 ARG H H 83 8.086 8.086 8.714 -0.628 25495 6586 1 16 . 1 1 84 84 CYS N N 84 115.892 115.892 118.826 -2.934 25495 6587 1 16 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.123 0.311 25495 6588 1 16 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.928 -1.391 25495 6589 1 16 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.155 0.284 25495 6590 1 16 . 1 1 84 84 CYS H H 84 7.754 7.754 8.267 -0.513 25495 6591 1 16 . 1 1 85 85 MET HA H 85 4.416 4.416 4.283 0.133 25495 6592 1 16 . 1 1 85 85 MET CA C 85 57.720 57.720 58.041 -0.321 25495 6593 1 16 . 1 1 85 85 MET CB C 85 34.275 34.275 31.951 2.324 25495 6594 1 16 . 1 1 86 86 LYS N N 86 119.961 119.961 119.413 0.548 25495 6595 1 16 . 1 1 86 86 LYS HA H 86 4.348 4.348 3.903 0.445 25495 6596 1 16 . 1 1 86 86 LYS CA C 86 56.728 56.728 59.197 -2.469 25495 6597 1 16 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.453 0.916 25495 6598 1 16 . 1 1 86 86 LYS H H 86 7.886 7.886 7.853 0.033 25495 6599 1 16 . 1 1 87 87 ASP N N 87 121.700 121.700 117.930 3.770 25495 6600 1 16 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.433 0.288 25495 6601 1 16 . 1 1 87 87 ASP CA C 87 54.582 54.582 56.462 -1.880 25495 6602 1 16 . 1 1 87 87 ASP CB C 87 41.302 41.302 40.962 0.340 25495 6603 1 16 . 1 1 87 87 ASP H H 87 8.219 8.219 8.618 -0.399 25495 6604 1 16 . 1 1 88 88 ASP N N 88 121.739 121.739 117.933 3.806 25495 6605 1 16 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.789 -0.057 25495 6606 1 16 . 1 1 88 88 ASP CA C 88 54.254 54.254 52.438 1.815 25495 6607 1 16 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.048 1.300 25495 6608 1 16 . 1 1 88 88 ASP H H 88 8.256 8.256 7.867 0.389 25495 6609 1 17 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.557 0.099 25495 6610 1 17 . 1 1 2 2 ASP CA C 2 54.796 54.796 56.372 -1.576 25495 6611 1 17 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.167 1.457 25495 6612 1 17 . 1 1 3 3 ASP N N 3 122.846 122.846 120.476 2.370 25495 6613 1 17 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.489 -0.001 25495 6614 1 17 . 1 1 3 3 ASP CA C 3 55.825 55.825 57.069 -1.244 25495 6615 1 17 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.163 1.258 25495 6616 1 17 . 1 1 3 3 ASP H H 3 8.509 8.509 8.911 -0.402 25495 6617 1 17 . 1 1 4 4 ILE N N 4 119.356 119.356 119.416 -0.060 25495 6618 1 17 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.903 0.013 25495 6619 1 17 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.147 0.548 25495 6620 1 17 . 1 1 4 4 ILE CB C 4 37.856 37.856 38.126 -0.270 25495 6621 1 17 . 1 1 4 4 ILE H H 4 8.227 8.227 7.551 0.676 25495 6622 1 17 . 1 1 5 5 TYR N N 5 121.143 121.143 120.817 0.326 25495 6623 1 17 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.928 0.483 25495 6624 1 17 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.321 -2.182 25495 6625 1 17 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.354 -0.566 25495 6626 1 17 . 1 1 5 5 TYR H H 5 7.639 7.639 7.607 0.032 25495 6627 1 17 . 1 1 6 6 LYS N N 6 120.843 120.843 119.230 1.613 25495 6628 1 17 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.955 0.034 25495 6629 1 17 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.536 0.042 25495 6630 1 17 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.467 -0.148 25495 6631 1 17 . 1 1 6 6 LYS H H 6 7.929 7.929 8.285 -0.356 25495 6632 1 17 . 1 1 7 7 ALA N N 7 120.497 120.497 121.453 -0.956 25495 6633 1 17 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.169 -0.025 25495 6634 1 17 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.741 -0.090 25495 6635 1 17 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.272 -0.294 25495 6636 1 17 . 1 1 7 7 ALA H H 7 7.934 7.934 7.683 0.251 25495 6637 1 17 . 1 1 8 8 ALA N N 8 119.953 119.953 121.664 -1.711 25495 6638 1 17 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.972 0.210 25495 6639 1 17 . 1 1 8 8 ALA CA C 8 54.675 54.675 55.003 -0.328 25495 6640 1 17 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.085 0.387 25495 6641 1 17 . 1 1 8 8 ALA H H 8 7.479 7.479 8.075 -0.596 25495 6642 1 17 . 1 1 9 9 VAL N N 9 119.227 119.227 118.044 1.183 25495 6643 1 17 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.512 0.049 25495 6644 1 17 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.156 0.092 25495 6645 1 17 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.233 0.831 25495 6646 1 17 . 1 1 9 9 VAL H H 9 8.030 8.030 7.550 0.480 25495 6647 1 17 . 1 1 10 10 GLU N N 10 118.451 118.451 118.499 -0.048 25495 6648 1 17 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.986 0.131 25495 6649 1 17 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.684 -0.324 25495 6650 1 17 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.496 0.053 25495 6651 1 17 . 1 1 10 10 GLU H H 10 7.763 7.763 7.775 -0.012 25495 6652 1 17 . 1 1 11 11 GLN N N 11 114.938 114.938 116.844 -1.906 25495 6653 1 17 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.113 0.193 25495 6654 1 17 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.557 -0.945 25495 6655 1 17 . 1 1 11 11 GLN CB C 11 29.388 29.388 28.846 0.542 25495 6656 1 17 . 1 1 11 11 GLN H H 11 7.405 7.405 7.792 -0.387 25495 6657 1 17 . 1 1 12 12 LEU N N 12 120.828 120.828 120.784 0.044 25495 6658 1 17 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.134 0.397 25495 6659 1 17 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.091 0.229 25495 6660 1 17 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.087 1.039 25495 6661 1 17 . 1 1 12 12 LEU H H 12 7.385 7.385 7.320 0.065 25495 6662 1 17 . 1 1 13 13 THR N N 13 113.928 113.928 114.004 -0.076 25495 6663 1 17 . 1 1 13 13 THR HA H 13 4.445 4.445 4.473 -0.028 25495 6664 1 17 . 1 1 13 13 THR CA C 13 60.804 60.804 60.236 0.568 25495 6665 1 17 . 1 1 13 13 THR CB C 13 71.151 71.151 70.272 0.879 25495 6666 1 17 . 1 1 13 13 THR H H 13 8.930 8.930 7.976 0.954 25495 6667 1 17 . 1 1 14 14 GLU N N 14 121.720 121.720 120.800 0.920 25495 6668 1 17 . 1 1 14 14 GLU HA H 14 3.988 3.988 4.016 -0.028 25495 6669 1 17 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.456 -0.498 25495 6670 1 17 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.013 0.262 25495 6671 1 17 . 1 1 14 14 GLU H H 14 9.028 9.028 8.990 0.038 25495 6672 1 17 . 1 1 15 15 GLU N N 15 117.744 117.744 118.611 -0.867 25495 6673 1 17 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.142 -0.079 25495 6674 1 17 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.420 0.915 25495 6675 1 17 . 1 1 15 15 GLU CB C 15 29.160 29.160 28.920 0.240 25495 6676 1 17 . 1 1 15 15 GLU H H 15 8.651 8.651 8.703 -0.052 25495 6677 1 17 . 1 1 16 16 GLN N N 16 119.476 119.476 118.518 0.958 25495 6678 1 17 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.333 -0.521 25495 6679 1 17 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.337 0.772 25495 6680 1 17 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.471 0.920 25495 6681 1 17 . 1 1 16 16 GLN H H 16 7.872 7.872 7.775 0.097 25495 6682 1 17 . 1 1 17 17 LYS N N 17 118.609 118.609 119.565 -0.956 25495 6683 1 17 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.150 -0.139 25495 6684 1 17 . 1 1 17 17 LYS CA C 17 61.873 61.873 60.733 1.140 25495 6685 1 17 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.301 -0.152 25495 6686 1 17 . 1 1 17 17 LYS H H 17 8.572 8.572 8.321 0.251 25495 6687 1 17 . 1 1 18 18 ASN N N 18 117.908 117.908 118.703 -0.795 25495 6688 1 17 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.504 0.060 25495 6689 1 17 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.195 -0.173 25495 6690 1 17 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.001 -0.117 25495 6691 1 17 . 1 1 18 18 ASN H H 18 8.581 8.581 8.126 0.455 25495 6692 1 17 . 1 1 19 19 GLU N N 19 123.446 123.446 120.270 3.176 25495 6693 1 17 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.047 0.131 25495 6694 1 17 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.358 0.568 25495 6695 1 17 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.691 -0.687 25495 6696 1 17 . 1 1 19 19 GLU H H 19 7.993 7.993 8.012 -0.019 25495 6697 1 17 . 1 1 20 20 PHE N N 20 117.821 117.821 120.443 -2.622 25495 6698 1 17 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.254 0.668 25495 6699 1 17 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.203 -0.358 25495 6700 1 17 . 1 1 20 20 PHE CB C 20 37.902 37.902 39.113 -1.211 25495 6701 1 17 . 1 1 20 20 PHE H H 20 8.528 8.528 7.956 0.572 25495 6702 1 17 . 1 1 21 21 LYS N N 21 122.656 122.656 120.404 2.252 25495 6703 1 17 . 1 1 21 21 LYS HA H 21 4.029 4.029 3.035 0.994 25495 6704 1 17 . 1 1 21 21 LYS CA C 21 58.695 58.695 58.840 -0.145 25495 6705 1 17 . 1 1 21 21 LYS CB C 21 31.651 31.651 31.905 -0.254 25495 6706 1 17 . 1 1 21 21 LYS H H 21 8.929 8.929 8.323 0.606 25495 6707 1 17 . 1 1 22 22 ALA N N 22 121.479 121.479 120.152 1.327 25495 6708 1 17 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.046 0.160 25495 6709 1 17 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.940 0.160 25495 6710 1 17 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.182 -0.316 25495 6711 1 17 . 1 1 22 22 ALA H H 22 7.799 7.799 7.742 0.057 25495 6712 1 17 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.156 -0.073 25495 6713 1 17 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.813 0.348 25495 6714 1 17 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.272 0.725 25495 6715 1 17 . 1 1 24 24 PHE N N 24 121.493 121.493 119.109 2.384 25495 6716 1 17 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.740 -0.267 25495 6717 1 17 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.801 0.625 25495 6718 1 17 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.089 0.690 25495 6719 1 17 . 1 1 24 24 PHE H H 24 9.053 9.053 8.188 0.865 25495 6720 1 17 . 1 1 25 25 ASP N N 25 116.518 116.518 118.210 -1.692 25495 6721 1 17 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.367 -0.138 25495 6722 1 17 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.430 -0.405 25495 6723 1 17 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.521 -0.658 25495 6724 1 17 . 1 1 25 25 ASP H H 25 8.512 8.512 7.918 0.594 25495 6725 1 17 . 1 1 26 26 ILE N N 26 119.213 119.213 118.614 0.599 25495 6726 1 17 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.806 -0.021 25495 6727 1 17 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.254 -0.567 25495 6728 1 17 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.340 -0.386 25495 6729 1 17 . 1 1 26 26 ILE H H 26 7.221 7.221 7.527 -0.306 25495 6730 1 17 . 1 1 27 27 PHE N N 27 123.265 123.265 120.206 3.059 25495 6731 1 17 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.146 0.592 25495 6732 1 17 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.622 -1.613 25495 6733 1 17 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.869 1.441 25495 6734 1 17 . 1 1 27 27 PHE H H 27 8.287 8.287 8.560 -0.273 25495 6735 1 17 . 1 1 28 28 VAL N N 28 106.013 106.013 114.646 -8.633 25495 6736 1 17 . 1 1 28 28 VAL HA H 28 3.973 3.973 3.793 0.180 25495 6737 1 17 . 1 1 28 28 VAL CA C 28 61.298 61.298 63.044 -1.746 25495 6738 1 17 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.368 1.211 25495 6739 1 17 . 1 1 28 28 VAL H H 28 7.544 7.544 7.456 0.088 25495 6740 1 17 . 1 1 29 29 LEU N N 29 125.830 125.830 119.674 6.156 25495 6741 1 17 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.103 -0.027 25495 6742 1 17 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.269 0.247 25495 6743 1 17 . 1 1 29 29 LEU CB C 29 41.577 41.577 41.006 0.571 25495 6744 1 17 . 1 1 29 29 LEU H H 29 7.240 7.240 7.525 -0.285 25495 6745 1 17 . 1 1 30 30 GLY N N 30 112.625 112.625 105.018 7.607 25495 6746 1 17 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.730 0.679 25495 6747 1 17 . 1 1 30 30 GLY H H 30 8.879 8.879 7.709 1.170 25495 6748 1 17 . 1 1 31 31 ALA N N 31 124.424 124.424 124.205 0.219 25495 6749 1 17 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.720 -0.269 25495 6750 1 17 . 1 1 31 31 ALA CA C 31 52.173 52.173 50.871 1.302 25495 6751 1 17 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.968 -0.111 25495 6752 1 17 . 1 1 31 31 ALA H H 31 8.077 8.077 7.752 0.325 25495 6753 1 17 . 1 1 32 32 GLU N N 32 125.293 125.293 123.694 1.599 25495 6754 1 17 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.003 0.083 25495 6755 1 17 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.778 0.330 25495 6756 1 17 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.143 0.683 25495 6757 1 17 . 1 1 32 32 GLU H H 32 9.216 9.216 9.005 0.211 25495 6758 1 17 . 1 1 33 33 ASP N N 33 115.502 115.502 117.853 -2.351 25495 6759 1 17 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.466 0.243 25495 6760 1 17 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.062 -1.070 25495 6761 1 17 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.185 0.893 25495 6762 1 17 . 1 1 33 33 ASP H H 33 8.177 8.177 8.056 0.121 25495 6763 1 17 . 1 1 34 34 GLY N N 34 105.896 105.896 108.920 -3.024 25495 6764 1 17 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.289 1.349 25495 6765 1 17 . 1 1 34 34 GLY H H 34 7.588 7.588 8.082 -0.494 25495 6766 1 17 . 1 1 35 35 CYS N N 35 114.179 114.179 118.261 -4.082 25495 6767 1 17 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.815 0.174 25495 6768 1 17 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.856 -0.188 25495 6769 1 17 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.873 0.864 25495 6770 1 17 . 1 1 35 35 CYS H H 35 7.438 7.438 7.982 -0.544 25495 6771 1 17 . 1 1 36 36 ILE N N 36 119.578 119.578 124.262 -4.684 25495 6772 1 17 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.247 -0.541 25495 6773 1 17 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.694 1.068 25495 6774 1 17 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.300 1.486 25495 6775 1 17 . 1 1 36 36 ILE H H 36 8.847 8.847 8.498 0.349 25495 6776 1 17 . 1 1 37 37 SER N N 37 126.282 126.282 122.287 3.995 25495 6777 1 17 . 1 1 37 37 SER HA H 37 5.059 5.059 5.088 -0.029 25495 6778 1 17 . 1 1 37 37 SER CA C 37 57.226 57.226 56.755 0.471 25495 6779 1 17 . 1 1 37 37 SER CB C 37 66.983 66.983 65.966 1.018 25495 6780 1 17 . 1 1 37 37 SER H H 37 9.462 9.462 8.566 0.896 25495 6781 1 17 . 1 1 38 38 THR N N 38 112.015 112.015 113.722 -1.707 25495 6782 1 17 . 1 1 38 38 THR HA H 38 3.730 3.730 4.093 -0.363 25495 6783 1 17 . 1 1 38 38 THR CA C 38 66.443 66.443 65.987 0.456 25495 6784 1 17 . 1 1 38 38 THR CB C 38 67.740 67.740 68.203 -0.463 25495 6785 1 17 . 1 1 38 38 THR H H 38 8.796 8.796 8.924 -0.128 25495 6786 1 17 . 1 1 39 39 LYS N N 39 123.244 123.244 121.215 2.029 25495 6787 1 17 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.038 0.022 25495 6788 1 17 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.528 0.029 25495 6789 1 17 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.045 0.195 25495 6790 1 17 . 1 1 39 39 LYS H H 39 8.050 8.050 7.542 0.508 25495 6791 1 17 . 1 1 40 40 GLU N N 40 119.359 119.359 119.982 -0.623 25495 6792 1 17 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.070 0.128 25495 6793 1 17 . 1 1 40 40 GLU CA C 40 60.766 60.766 58.797 1.969 25495 6794 1 17 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.466 0.448 25495 6795 1 17 . 1 1 40 40 GLU H H 40 7.750 7.750 7.493 0.257 25495 6796 1 17 . 1 1 41 41 LEU N N 41 119.256 119.256 120.017 -0.761 25495 6797 1 17 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.228 -0.030 25495 6798 1 17 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.389 0.495 25495 6799 1 17 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.147 1.431 25495 6800 1 17 . 1 1 41 41 LEU H H 41 8.349 8.349 8.729 -0.380 25495 6801 1 17 . 1 1 42 42 GLY N N 42 106.053 106.053 106.780 -0.727 25495 6802 1 17 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.409 0.731 25495 6803 1 17 . 1 1 42 42 GLY H H 42 8.503 8.503 8.414 0.089 25495 6804 1 17 . 1 1 43 43 LYS N N 43 120.946 120.946 122.353 -1.407 25495 6805 1 17 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.146 -0.139 25495 6806 1 17 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.372 1.589 25495 6807 1 17 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.058 0.316 25495 6808 1 17 . 1 1 43 43 LYS H H 43 7.319 7.319 7.462 -0.143 25495 6809 1 17 . 1 1 44 44 VAL N N 44 119.639 119.639 121.227 -1.588 25495 6810 1 17 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.635 -0.040 25495 6811 1 17 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.520 -0.214 25495 6812 1 17 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.407 0.385 25495 6813 1 17 . 1 1 44 44 VAL H H 44 7.570 7.570 7.576 -0.006 25495 6814 1 17 . 1 1 45 45 MET N N 45 116.846 116.846 117.939 -1.093 25495 6815 1 17 . 1 1 45 45 MET HA H 45 4.186 4.186 4.105 0.081 25495 6816 1 17 . 1 1 45 45 MET CA C 45 58.345 58.345 58.277 0.068 25495 6817 1 17 . 1 1 45 45 MET CB C 45 31.125 31.125 31.703 -0.578 25495 6818 1 17 . 1 1 45 45 MET H H 45 8.438 8.438 8.555 -0.117 25495 6819 1 17 . 1 1 46 46 ARG N N 46 118.762 118.762 120.691 -1.929 25495 6820 1 17 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.310 0.342 25495 6821 1 17 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.258 0.093 25495 6822 1 17 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.964 0.091 25495 6823 1 17 . 1 1 46 46 ARG H H 46 8.114 8.114 7.924 0.190 25495 6824 1 17 . 1 1 47 47 MET N N 47 122.339 122.339 120.234 2.105 25495 6825 1 17 . 1 1 47 47 MET HA H 47 4.225 4.225 4.152 0.073 25495 6826 1 17 . 1 1 47 47 MET CA C 47 59.117 59.117 58.682 0.435 25495 6827 1 17 . 1 1 47 47 MET CB C 47 32.404 32.404 32.624 -0.220 25495 6828 1 17 . 1 1 47 47 MET H H 47 7.889 7.889 7.775 0.114 25495 6829 1 17 . 1 1 48 48 LEU N N 48 117.654 117.654 116.868 0.786 25495 6830 1 17 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.303 0.105 25495 6831 1 17 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.075 -0.418 25495 6832 1 17 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.117 -0.338 25495 6833 1 17 . 1 1 48 48 LEU H H 48 7.516 7.516 7.681 -0.165 25495 6834 1 17 . 1 1 49 49 GLY N N 49 107.494 107.494 105.881 1.613 25495 6835 1 17 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.698 1.201 25495 6836 1 17 . 1 1 49 49 GLY H H 49 7.875 7.875 7.753 0.122 25495 6837 1 17 . 1 1 50 50 GLN N N 50 118.165 118.165 120.341 -2.176 25495 6838 1 17 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.438 0.066 25495 6839 1 17 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.505 -0.443 25495 6840 1 17 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.457 0.639 25495 6841 1 17 . 1 1 50 50 GLN H H 50 8.025 8.025 8.339 -0.314 25495 6842 1 17 . 1 1 51 51 ASN N N 51 116.752 116.752 120.333 -3.581 25495 6843 1 17 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.075 0.081 25495 6844 1 17 . 1 1 51 51 ASN CA C 51 51.184 51.184 51.527 -0.343 25495 6845 1 17 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.800 -0.548 25495 6846 1 17 . 1 1 51 51 ASN H H 51 8.706 8.706 8.717 -0.011 25495 6847 1 17 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.744 0.027 25495 6848 1 17 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.765 -0.542 25495 6849 1 17 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.842 -0.826 25495 6850 1 17 . 1 1 53 53 THR N N 53 114.441 114.441 108.430 6.011 25495 6851 1 17 . 1 1 53 53 THR HA H 53 4.623 4.623 4.749 -0.126 25495 6852 1 17 . 1 1 53 53 THR CA C 53 60.314 60.314 58.525 1.789 25495 6853 1 17 . 1 1 53 53 THR CB C 53 68.422 68.422 70.440 -2.018 25495 6854 1 17 . 1 1 53 53 THR H H 53 8.899 8.899 7.809 1.090 25495 6855 1 17 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.111 0.070 25495 6856 1 17 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.440 0.747 25495 6857 1 17 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.653 0.115 25495 6858 1 17 . 1 1 55 55 GLU N N 55 117.303 117.303 117.279 0.024 25495 6859 1 17 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.043 -0.018 25495 6860 1 17 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.942 0.568 25495 6861 1 17 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.096 -0.330 25495 6862 1 17 . 1 1 55 55 GLU H H 55 8.751 8.751 8.979 -0.228 25495 6863 1 17 . 1 1 56 56 GLU N N 56 121.627 121.627 120.230 1.397 25495 6864 1 17 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.188 -0.191 25495 6865 1 17 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.625 0.575 25495 6866 1 17 . 1 1 56 56 GLU CB C 56 30.049 30.049 28.869 1.180 25495 6867 1 17 . 1 1 56 56 GLU H H 56 7.813 7.813 7.815 -0.002 25495 6868 1 17 . 1 1 57 57 LEU N N 57 118.921 118.921 121.342 -2.421 25495 6869 1 17 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.044 -0.012 25495 6870 1 17 . 1 1 57 57 LEU CA C 57 57.774 57.774 58.001 -0.227 25495 6871 1 17 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.711 0.937 25495 6872 1 17 . 1 1 57 57 LEU H H 57 8.143 8.143 8.302 -0.159 25495 6873 1 17 . 1 1 58 58 GLN N N 58 117.966 117.966 118.541 -0.575 25495 6874 1 17 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.989 -0.283 25495 6875 1 17 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.717 -0.480 25495 6876 1 17 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.109 0.374 25495 6877 1 17 . 1 1 58 58 GLN H H 58 8.001 8.001 8.076 -0.075 25495 6878 1 17 . 1 1 59 59 GLU N N 59 119.177 119.177 120.284 -1.107 25495 6879 1 17 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.061 -0.020 25495 6880 1 17 . 1 1 59 59 GLU CA C 59 59.638 59.638 58.967 0.671 25495 6881 1 17 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.407 0.024 25495 6882 1 17 . 1 1 59 59 GLU H H 59 7.935 7.935 7.705 0.231 25495 6883 1 17 . 1 1 60 60 MET N N 60 117.654 117.654 119.609 -1.955 25495 6884 1 17 . 1 1 60 60 MET HA H 60 3.936 3.936 4.138 -0.202 25495 6885 1 17 . 1 1 60 60 MET CA C 60 59.488 59.488 59.428 0.060 25495 6886 1 17 . 1 1 60 60 MET CB C 60 33.570 33.570 32.636 0.934 25495 6887 1 17 . 1 1 60 60 MET H H 60 7.640 7.640 8.064 -0.424 25495 6888 1 17 . 1 1 61 61 ILE N N 61 118.132 118.132 119.614 -1.482 25495 6889 1 17 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.522 -0.167 25495 6890 1 17 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.492 -1.101 25495 6891 1 17 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.528 -0.089 25495 6892 1 17 . 1 1 61 61 ILE H H 61 7.334 7.334 7.803 -0.469 25495 6893 1 17 . 1 1 62 62 ASP N N 62 119.480 119.480 120.362 -0.882 25495 6894 1 17 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.378 -0.104 25495 6895 1 17 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.760 -0.336 25495 6896 1 17 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.463 -0.156 25495 6897 1 17 . 1 1 62 62 ASP H H 62 8.754 8.754 8.040 0.714 25495 6898 1 17 . 1 1 63 63 GLU N N 63 116.032 116.032 118.540 -2.508 25495 6899 1 17 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.112 -0.081 25495 6900 1 17 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.741 0.077 25495 6901 1 17 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.089 0.370 25495 6902 1 17 . 1 1 63 63 GLU H H 63 7.588 7.588 7.680 -0.092 25495 6903 1 17 . 1 1 64 64 VAL N N 64 107.386 107.386 117.242 -9.856 25495 6904 1 17 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.884 0.642 25495 6905 1 17 . 1 1 64 64 VAL CA C 64 60.594 60.594 64.482 -3.888 25495 6906 1 17 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.364 -0.003 25495 6907 1 17 . 1 1 64 64 VAL H H 64 7.222 7.222 7.249 -0.027 25495 6908 1 17 . 1 1 65 65 ASP N N 65 121.993 121.993 120.172 1.821 25495 6909 1 17 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.727 -0.067 25495 6910 1 17 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.047 -0.577 25495 6911 1 17 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.034 -0.637 25495 6912 1 17 . 1 1 65 65 ASP H H 65 7.576 7.576 8.176 -0.600 25495 6913 1 17 . 1 1 66 66 GLU N N 66 128.234 128.234 123.867 4.367 25495 6914 1 17 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.049 0.131 25495 6915 1 17 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.853 -0.383 25495 6916 1 17 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.943 0.927 25495 6917 1 17 . 1 1 66 66 GLU H H 66 8.586 8.586 8.821 -0.235 25495 6918 1 17 . 1 1 67 67 ASP N N 67 114.535 114.535 116.527 -1.992 25495 6919 1 17 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.560 0.162 25495 6920 1 17 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.752 -1.324 25495 6921 1 17 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.173 0.164 25495 6922 1 17 . 1 1 67 67 ASP H H 67 7.969 7.969 8.293 -0.324 25495 6923 1 17 . 1 1 68 68 GLY N N 68 108.961 108.961 107.705 1.256 25495 6924 1 17 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.789 1.389 25495 6925 1 17 . 1 1 68 68 GLY H H 68 7.766 7.766 8.068 -0.302 25495 6926 1 17 . 1 1 69 69 SER N N 69 116.683 116.683 115.971 0.712 25495 6927 1 17 . 1 1 69 69 SER HA H 69 4.234 4.234 4.211 0.023 25495 6928 1 17 . 1 1 69 69 SER CA C 69 60.271 60.271 59.722 0.549 25495 6929 1 17 . 1 1 69 69 SER CB C 69 64.864 64.864 64.042 0.822 25495 6930 1 17 . 1 1 69 69 SER H H 69 8.469 8.469 8.680 -0.211 25495 6931 1 17 . 1 1 70 70 GLY N N 70 116.564 116.564 109.333 7.231 25495 6932 1 17 . 1 1 70 70 GLY CA C 70 45.694 45.694 44.920 0.774 25495 6933 1 17 . 1 1 70 70 GLY H H 70 10.834 10.834 8.192 2.642 25495 6934 1 17 . 1 1 71 71 THR N N 71 107.543 107.543 112.055 -4.512 25495 6935 1 17 . 1 1 71 71 THR HA H 71 4.891 4.891 5.045 -0.154 25495 6936 1 17 . 1 1 71 71 THR CA C 71 58.480 58.480 60.052 -1.572 25495 6937 1 17 . 1 1 71 71 THR CB C 71 73.920 73.920 72.505 1.415 25495 6938 1 17 . 1 1 71 71 THR H H 71 7.651 7.651 7.595 0.056 25495 6939 1 17 . 1 1 72 72 VAL N N 72 126.890 126.890 122.810 4.080 25495 6940 1 17 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.805 0.263 25495 6941 1 17 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.481 0.210 25495 6942 1 17 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.545 0.425 25495 6943 1 17 . 1 1 72 72 VAL H H 72 9.698 9.698 8.854 0.844 25495 6944 1 17 . 1 1 73 73 ASP N N 73 129.120 129.120 125.776 3.344 25495 6945 1 17 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.003 0.151 25495 6946 1 17 . 1 1 73 73 ASP CA C 73 52.448 52.448 53.638 -1.190 25495 6947 1 17 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.510 -1.958 25495 6948 1 17 . 1 1 73 73 ASP H H 73 8.807 8.807 8.563 0.244 25495 6949 1 17 . 1 1 74 74 PHE N N 74 118.110 118.110 121.550 -3.440 25495 6950 1 17 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.806 -0.473 25495 6951 1 17 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.639 -0.986 25495 6952 1 17 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.399 -0.859 25495 6953 1 17 . 1 1 74 74 PHE H H 74 8.511 8.511 8.902 -0.391 25495 6954 1 17 . 1 1 75 75 ASP N N 75 117.145 117.145 118.806 -1.661 25495 6955 1 17 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.348 -0.367 25495 6956 1 17 . 1 1 75 75 ASP CA C 75 58.004 58.004 59.006 -1.002 25495 6957 1 17 . 1 1 75 75 ASP CB C 75 40.342 40.342 40.296 0.046 25495 6958 1 17 . 1 1 75 75 ASP H H 75 7.601 7.601 8.817 -1.216 25495 6959 1 17 . 1 1 76 76 GLU N N 76 120.605 120.605 120.051 0.554 25495 6960 1 17 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.043 0.007 25495 6961 1 17 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.306 -0.976 25495 6962 1 17 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.500 0.595 25495 6963 1 17 . 1 1 76 76 GLU H H 76 8.235 8.235 8.519 -0.284 25495 6964 1 17 . 1 1 77 77 PHE N N 77 123.122 123.122 121.080 2.042 25495 6965 1 17 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.253 -0.278 25495 6966 1 17 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.580 -1.072 25495 6967 1 17 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.410 0.153 25495 6968 1 17 . 1 1 77 77 PHE H H 77 8.983 8.983 8.575 0.408 25495 6969 1 17 . 1 1 78 78 LEU N N 78 118.537 118.537 118.856 -0.319 25495 6970 1 17 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.501 -0.212 25495 6971 1 17 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.857 0.252 25495 6972 1 17 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.417 0.063 25495 6973 1 17 . 1 1 78 78 LEU H H 78 7.842 7.842 7.506 0.336 25495 6974 1 17 . 1 1 79 79 VAL N N 79 117.650 117.650 118.840 -1.190 25495 6975 1 17 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.543 -0.272 25495 6976 1 17 . 1 1 79 79 VAL CA C 79 66.435 66.435 67.018 -0.583 25495 6977 1 17 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.711 -0.697 25495 6978 1 17 . 1 1 79 79 VAL H H 79 6.834 6.834 7.597 -0.763 25495 6979 1 17 . 1 1 80 80 MET N N 80 120.117 120.117 119.647 0.470 25495 6980 1 17 . 1 1 80 80 MET HA H 80 3.550 3.550 4.016 -0.466 25495 6981 1 17 . 1 1 80 80 MET CA C 80 59.506 59.506 59.048 0.458 25495 6982 1 17 . 1 1 80 80 MET CB C 80 34.002 34.002 32.370 1.632 25495 6983 1 17 . 1 1 80 80 MET H H 80 7.990 7.990 7.542 0.449 25495 6984 1 17 . 1 1 81 81 MET N N 81 116.622 116.622 119.621 -2.999 25495 6985 1 17 . 1 1 81 81 MET HA H 81 4.074 4.074 3.943 0.131 25495 6986 1 17 . 1 1 81 81 MET CA C 81 56.657 56.657 58.891 -2.233 25495 6987 1 17 . 1 1 81 81 MET CB C 81 32.334 32.334 32.239 0.095 25495 6988 1 17 . 1 1 81 81 MET H H 81 8.148 8.148 7.418 0.730 25495 6989 1 17 . 1 1 82 82 VAL N N 82 117.651 117.651 119.126 -1.475 25495 6990 1 17 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.462 0.472 25495 6991 1 17 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.429 -0.252 25495 6992 1 17 . 1 1 82 82 VAL CB C 82 31.243 31.243 30.498 0.744 25495 6993 1 17 . 1 1 82 82 VAL H H 82 8.082 8.082 7.815 0.267 25495 6994 1 17 . 1 1 83 83 ARG N N 83 120.226 120.226 120.246 -0.020 25495 6995 1 17 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.117 -0.296 25495 6996 1 17 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.946 -0.356 25495 6997 1 17 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.035 -0.053 25495 6998 1 17 . 1 1 83 83 ARG H H 83 8.086 8.086 8.115 -0.029 25495 6999 1 17 . 1 1 84 84 CYS N N 84 115.892 115.892 117.508 -1.616 25495 7000 1 17 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.321 0.113 25495 7001 1 17 . 1 1 84 84 CYS CA C 84 61.537 61.537 63.556 -2.019 25495 7002 1 17 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.255 0.185 25495 7003 1 17 . 1 1 84 84 CYS H H 84 7.754 7.754 7.857 -0.103 25495 7004 1 17 . 1 1 85 85 MET HA H 85 4.416 4.416 4.229 0.187 25495 7005 1 17 . 1 1 85 85 MET CA C 85 57.720 57.720 57.688 0.032 25495 7006 1 17 . 1 1 85 85 MET CB C 85 34.275 34.275 32.472 1.803 25495 7007 1 17 . 1 1 86 86 LYS N N 86 119.961 119.961 115.483 4.478 25495 7008 1 17 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.404 -0.056 25495 7009 1 17 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.268 0.460 25495 7010 1 17 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.374 -0.006 25495 7011 1 17 . 1 1 86 86 LYS H H 86 7.886 7.886 8.354 -0.468 25495 7012 1 17 . 1 1 87 87 ASP N N 87 121.700 121.700 119.586 2.114 25495 7013 1 17 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.740 -0.019 25495 7014 1 17 . 1 1 87 87 ASP CA C 87 54.582 54.582 53.763 0.819 25495 7015 1 17 . 1 1 87 87 ASP CB C 87 41.302 41.302 44.572 -3.270 25495 7016 1 17 . 1 1 87 87 ASP H H 87 8.219 8.219 7.929 0.290 25495 7017 1 17 . 1 1 88 88 ASP N N 88 121.739 121.739 123.847 -2.108 25495 7018 1 17 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.733 -0.001 25495 7019 1 17 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.708 0.546 25495 7020 1 17 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.083 1.265 25495 7021 1 17 . 1 1 88 88 ASP H H 88 8.256 8.256 8.532 -0.276 25495 7022 1 18 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.444 0.212 25495 7023 1 18 . 1 1 2 2 ASP CA C 2 54.796 54.796 56.388 -1.592 25495 7024 1 18 . 1 1 2 2 ASP CB C 2 41.624 41.624 39.937 1.687 25495 7025 1 18 . 1 1 3 3 ASP N N 3 122.846 122.846 119.674 3.172 25495 7026 1 18 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.410 0.079 25495 7027 1 18 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.891 -1.066 25495 7028 1 18 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.464 0.957 25495 7029 1 18 . 1 1 3 3 ASP H H 3 8.509 8.509 8.425 0.084 25495 7030 1 18 . 1 1 4 4 ILE N N 4 119.356 119.356 119.052 0.304 25495 7031 1 18 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.745 0.171 25495 7032 1 18 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.514 0.181 25495 7033 1 18 . 1 1 4 4 ILE CB C 4 37.856 37.856 36.998 0.858 25495 7034 1 18 . 1 1 4 4 ILE H H 4 8.227 8.227 8.046 0.181 25495 7035 1 18 . 1 1 5 5 TYR N N 5 121.143 121.143 120.854 0.289 25495 7036 1 18 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.970 0.441 25495 7037 1 18 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.546 -2.407 25495 7038 1 18 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.464 -0.676 25495 7039 1 18 . 1 1 5 5 TYR H H 5 7.639 7.639 7.670 -0.031 25495 7040 1 18 . 1 1 6 6 LYS N N 6 120.843 120.843 118.457 2.386 25495 7041 1 18 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.938 0.051 25495 7042 1 18 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.126 0.452 25495 7043 1 18 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.107 0.212 25495 7044 1 18 . 1 1 6 6 LYS H H 6 7.929 7.929 8.123 -0.194 25495 7045 1 18 . 1 1 7 7 ALA N N 7 120.497 120.497 121.358 -0.861 25495 7046 1 18 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.046 0.098 25495 7047 1 18 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.965 -0.314 25495 7048 1 18 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.183 -0.204 25495 7049 1 18 . 1 1 7 7 ALA H H 7 7.934 7.934 8.244 -0.310 25495 7050 1 18 . 1 1 8 8 ALA N N 8 119.953 119.953 121.335 -1.382 25495 7051 1 18 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.940 0.242 25495 7052 1 18 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.948 -0.273 25495 7053 1 18 . 1 1 8 8 ALA CB C 8 18.473 18.473 17.938 0.535 25495 7054 1 18 . 1 1 8 8 ALA H H 8 7.479 7.479 7.796 -0.317 25495 7055 1 18 . 1 1 9 9 VAL N N 9 119.227 119.227 117.508 1.719 25495 7056 1 18 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.450 0.111 25495 7057 1 18 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.629 -0.381 25495 7058 1 18 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.770 0.294 25495 7059 1 18 . 1 1 9 9 VAL H H 9 8.030 8.030 7.454 0.576 25495 7060 1 18 . 1 1 10 10 GLU N N 10 118.451 118.451 118.131 0.320 25495 7061 1 18 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.149 -0.032 25495 7062 1 18 . 1 1 10 10 GLU CA C 10 58.360 58.360 57.929 0.431 25495 7063 1 18 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.601 -0.052 25495 7064 1 18 . 1 1 10 10 GLU H H 10 7.763 7.763 7.635 0.128 25495 7065 1 18 . 1 1 11 11 GLN N N 11 114.938 114.938 117.292 -2.354 25495 7066 1 18 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.100 0.206 25495 7067 1 18 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.411 -1.799 25495 7068 1 18 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.493 -0.105 25495 7069 1 18 . 1 1 11 11 GLN H H 11 7.405 7.405 8.152 -0.747 25495 7070 1 18 . 1 1 12 12 LEU N N 12 120.828 120.828 115.518 5.310 25495 7071 1 18 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.052 0.479 25495 7072 1 18 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.669 -0.349 25495 7073 1 18 . 1 1 12 12 LEU CB C 12 43.126 43.126 41.766 1.360 25495 7074 1 18 . 1 1 12 12 LEU H H 12 7.385 7.385 7.526 -0.141 25495 7075 1 18 . 1 1 13 13 THR N N 13 113.928 113.928 108.728 5.200 25495 7076 1 18 . 1 1 13 13 THR HA H 13 4.445 4.445 4.482 -0.037 25495 7077 1 18 . 1 1 13 13 THR CA C 13 60.804 60.804 59.399 1.405 25495 7078 1 18 . 1 1 13 13 THR CB C 13 71.151 71.151 71.750 -0.599 25495 7079 1 18 . 1 1 13 13 THR H H 13 8.930 8.930 7.792 1.138 25495 7080 1 18 . 1 1 14 14 GLU N N 14 121.720 121.720 121.052 0.668 25495 7081 1 18 . 1 1 14 14 GLU HA H 14 3.988 3.988 4.005 -0.017 25495 7082 1 18 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.514 -0.556 25495 7083 1 18 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.523 -0.248 25495 7084 1 18 . 1 1 14 14 GLU H H 14 9.028 9.028 8.889 0.139 25495 7085 1 18 . 1 1 15 15 GLU N N 15 117.744 117.744 119.326 -1.582 25495 7086 1 18 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.018 0.045 25495 7087 1 18 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.478 0.856 25495 7088 1 18 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.154 0.006 25495 7089 1 18 . 1 1 15 15 GLU H H 15 8.651 8.651 8.166 0.485 25495 7090 1 18 . 1 1 16 16 GLN N N 16 119.476 119.476 118.572 0.904 25495 7091 1 18 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.241 -0.429 25495 7092 1 18 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.836 0.273 25495 7093 1 18 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.711 0.680 25495 7094 1 18 . 1 1 16 16 GLN H H 16 7.872 7.872 7.574 0.298 25495 7095 1 18 . 1 1 17 17 LYS N N 17 118.609 118.609 118.299 0.310 25495 7096 1 18 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.130 -0.119 25495 7097 1 18 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.118 2.755 25495 7098 1 18 . 1 1 17 17 LYS CB C 17 32.149 32.149 31.935 0.214 25495 7099 1 18 . 1 1 17 17 LYS H H 17 8.572 8.572 7.960 0.612 25495 7100 1 18 . 1 1 18 18 ASN N N 18 117.908 117.908 119.497 -1.589 25495 7101 1 18 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.553 0.011 25495 7102 1 18 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.719 -0.697 25495 7103 1 18 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.865 -0.981 25495 7104 1 18 . 1 1 18 18 ASN H H 18 8.581 8.581 8.495 0.086 25495 7105 1 18 . 1 1 19 19 GLU N N 19 123.446 123.446 120.175 3.271 25495 7106 1 18 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.031 0.147 25495 7107 1 18 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.034 0.892 25495 7108 1 18 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.135 -0.131 25495 7109 1 18 . 1 1 19 19 GLU H H 19 7.993 7.993 8.198 -0.205 25495 7110 1 18 . 1 1 20 20 PHE N N 20 117.821 117.821 122.137 -4.316 25495 7111 1 18 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.110 0.812 25495 7112 1 18 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.277 -1.433 25495 7113 1 18 . 1 1 20 20 PHE CB C 20 37.902 37.902 39.099 -1.197 25495 7114 1 18 . 1 1 20 20 PHE H H 20 8.528 8.528 7.948 0.580 25495 7115 1 18 . 1 1 21 21 LYS N N 21 122.656 122.656 119.741 2.915 25495 7116 1 18 . 1 1 21 21 LYS HA H 21 4.029 4.029 3.331 0.698 25495 7117 1 18 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.340 -0.645 25495 7118 1 18 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.482 -0.831 25495 7119 1 18 . 1 1 21 21 LYS H H 21 8.929 8.929 8.264 0.665 25495 7120 1 18 . 1 1 22 22 ALA N N 22 121.479 121.479 121.047 0.432 25495 7121 1 18 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.062 0.144 25495 7122 1 18 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.860 0.240 25495 7123 1 18 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.303 -0.437 25495 7124 1 18 . 1 1 22 22 ALA H H 22 7.799 7.799 8.010 -0.211 25495 7125 1 18 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.026 0.057 25495 7126 1 18 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.689 0.472 25495 7127 1 18 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.034 0.963 25495 7128 1 18 . 1 1 24 24 PHE N N 24 121.493 121.493 118.705 2.788 25495 7129 1 18 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.397 0.076 25495 7130 1 18 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.245 1.181 25495 7131 1 18 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.742 1.037 25495 7132 1 18 . 1 1 24 24 PHE H H 24 9.053 9.053 7.807 1.246 25495 7133 1 18 . 1 1 25 25 ASP N N 25 116.518 116.518 118.920 -2.402 25495 7134 1 18 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.221 0.008 25495 7135 1 18 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.606 -0.581 25495 7136 1 18 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.475 -0.612 25495 7137 1 18 . 1 1 25 25 ASP H H 25 8.512 8.512 7.816 0.696 25495 7138 1 18 . 1 1 26 26 ILE N N 26 119.213 119.213 119.233 -0.020 25495 7139 1 18 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.710 0.075 25495 7140 1 18 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.687 -0.999 25495 7141 1 18 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.194 -0.240 25495 7142 1 18 . 1 1 26 26 ILE H H 26 7.221 7.221 7.466 -0.245 25495 7143 1 18 . 1 1 27 27 PHE N N 27 123.265 123.265 118.630 4.635 25495 7144 1 18 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.132 0.606 25495 7145 1 18 . 1 1 27 27 PHE CA C 27 60.009 60.009 60.575 -0.566 25495 7146 1 18 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.603 1.707 25495 7147 1 18 . 1 1 27 27 PHE H H 27 8.287 8.287 8.243 0.044 25495 7148 1 18 . 1 1 28 28 VAL N N 28 106.013 106.013 113.779 -7.766 25495 7149 1 18 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.068 -0.095 25495 7150 1 18 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.491 -0.193 25495 7151 1 18 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.412 1.167 25495 7152 1 18 . 1 1 28 28 VAL H H 28 7.544 7.544 7.388 0.156 25495 7153 1 18 . 1 1 29 29 LEU N N 29 125.830 125.830 117.743 8.087 25495 7154 1 18 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.303 -0.227 25495 7155 1 18 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.624 0.892 25495 7156 1 18 . 1 1 29 29 LEU CB C 29 41.577 41.577 41.388 0.189 25495 7157 1 18 . 1 1 29 29 LEU H H 29 7.240 7.240 7.347 -0.107 25495 7158 1 18 . 1 1 30 30 GLY N N 30 112.625 112.625 104.948 7.677 25495 7159 1 18 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.371 1.038 25495 7160 1 18 . 1 1 30 30 GLY H H 30 8.879 8.879 8.226 0.653 25495 7161 1 18 . 1 1 31 31 ALA N N 31 124.424 124.424 123.898 0.526 25495 7162 1 18 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.451 0.000 25495 7163 1 18 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.140 1.033 25495 7164 1 18 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.186 0.671 25495 7165 1 18 . 1 1 31 31 ALA H H 31 8.077 8.077 6.900 1.177 25495 7166 1 18 . 1 1 32 32 GLU N N 32 125.293 125.293 123.326 1.967 25495 7167 1 18 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.024 0.062 25495 7168 1 18 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.673 0.435 25495 7169 1 18 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.403 0.423 25495 7170 1 18 . 1 1 32 32 GLU H H 32 9.216 9.216 8.829 0.387 25495 7171 1 18 . 1 1 33 33 ASP N N 33 115.502 115.502 119.124 -3.622 25495 7172 1 18 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.573 0.136 25495 7173 1 18 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.127 -1.135 25495 7174 1 18 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.959 0.119 25495 7175 1 18 . 1 1 33 33 ASP H H 33 8.177 8.177 8.283 -0.106 25495 7176 1 18 . 1 1 34 34 GLY N N 34 105.896 105.896 106.318 -0.422 25495 7177 1 18 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.701 0.937 25495 7178 1 18 . 1 1 34 34 GLY H H 34 7.588 7.588 7.753 -0.165 25495 7179 1 18 . 1 1 35 35 CYS N N 35 114.179 114.179 117.687 -3.508 25495 7180 1 18 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.701 0.288 25495 7181 1 18 . 1 1 35 35 CYS CA C 35 57.668 57.668 56.142 1.526 25495 7182 1 18 . 1 1 35 35 CYS CB C 35 31.737 31.737 29.892 1.845 25495 7183 1 18 . 1 1 35 35 CYS H H 35 7.438 7.438 7.309 0.129 25495 7184 1 18 . 1 1 36 36 ILE N N 36 119.578 119.578 123.223 -3.645 25495 7185 1 18 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.357 -0.651 25495 7186 1 18 . 1 1 36 36 ILE CA C 36 62.762 62.762 60.923 1.839 25495 7187 1 18 . 1 1 36 36 ILE CB C 36 39.786 39.786 39.109 0.677 25495 7188 1 18 . 1 1 36 36 ILE H H 36 8.847 8.847 8.121 0.726 25495 7189 1 18 . 1 1 37 37 SER N N 37 126.282 126.282 122.216 4.066 25495 7190 1 18 . 1 1 37 37 SER HA H 37 5.059 5.059 5.080 -0.021 25495 7191 1 18 . 1 1 37 37 SER CA C 37 57.226 57.226 56.239 0.987 25495 7192 1 18 . 1 1 37 37 SER CB C 37 66.983 66.983 66.115 0.868 25495 7193 1 18 . 1 1 37 37 SER H H 37 9.462 9.462 8.961 0.501 25495 7194 1 18 . 1 1 38 38 THR N N 38 112.015 112.015 111.715 0.300 25495 7195 1 18 . 1 1 38 38 THR HA H 38 3.730 3.730 4.132 -0.402 25495 7196 1 18 . 1 1 38 38 THR CA C 38 66.443 66.443 64.914 1.529 25495 7197 1 18 . 1 1 38 38 THR CB C 38 67.740 67.740 68.470 -0.730 25495 7198 1 18 . 1 1 38 38 THR H H 38 8.796 8.796 8.710 0.086 25495 7199 1 18 . 1 1 39 39 LYS N N 39 123.244 123.244 121.132 2.112 25495 7200 1 18 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.099 -0.039 25495 7201 1 18 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.050 0.507 25495 7202 1 18 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.706 -0.466 25495 7203 1 18 . 1 1 39 39 LYS H H 39 8.050 8.050 7.614 0.436 25495 7204 1 18 . 1 1 40 40 GLU N N 40 119.359 119.359 120.531 -1.172 25495 7205 1 18 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.027 0.172 25495 7206 1 18 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.024 1.742 25495 7207 1 18 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.353 0.561 25495 7208 1 18 . 1 1 40 40 GLU H H 40 7.750 7.750 7.779 -0.029 25495 7209 1 18 . 1 1 41 41 LEU N N 41 119.256 119.256 119.480 -0.224 25495 7210 1 18 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.010 0.188 25495 7211 1 18 . 1 1 41 41 LEU CA C 41 57.884 57.884 56.429 1.455 25495 7212 1 18 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.483 1.095 25495 7213 1 18 . 1 1 41 41 LEU H H 41 8.349 8.349 8.100 0.249 25495 7214 1 18 . 1 1 42 42 GLY N N 42 106.053 106.053 107.757 -1.704 25495 7215 1 18 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.099 1.042 25495 7216 1 18 . 1 1 42 42 GLY H H 42 8.503 8.503 7.840 0.663 25495 7217 1 18 . 1 1 43 43 LYS N N 43 120.946 120.946 122.082 -1.136 25495 7218 1 18 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.018 -0.011 25495 7219 1 18 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.507 1.454 25495 7220 1 18 . 1 1 43 43 LYS CB C 43 32.374 32.374 31.926 0.448 25495 7221 1 18 . 1 1 43 43 LYS H H 43 7.319 7.319 7.532 -0.213 25495 7222 1 18 . 1 1 44 44 VAL N N 44 119.639 119.639 120.175 -0.536 25495 7223 1 18 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.493 0.102 25495 7224 1 18 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.382 -0.076 25495 7225 1 18 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.635 0.157 25495 7226 1 18 . 1 1 44 44 VAL H H 44 7.570 7.570 7.281 0.289 25495 7227 1 18 . 1 1 45 45 MET N N 45 116.846 116.846 117.447 -0.601 25495 7228 1 18 . 1 1 45 45 MET HA H 45 4.186 4.186 4.193 -0.007 25495 7229 1 18 . 1 1 45 45 MET CA C 45 58.345 58.345 57.226 1.119 25495 7230 1 18 . 1 1 45 45 MET CB C 45 31.125 31.125 31.230 -0.105 25495 7231 1 18 . 1 1 45 45 MET H H 45 8.438 8.438 7.820 0.618 25495 7232 1 18 . 1 1 46 46 ARG N N 46 118.762 118.762 120.973 -2.211 25495 7233 1 18 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.034 0.618 25495 7234 1 18 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.406 -0.055 25495 7235 1 18 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.142 -0.087 25495 7236 1 18 . 1 1 46 46 ARG H H 46 8.114 8.114 7.797 0.317 25495 7237 1 18 . 1 1 47 47 MET N N 47 122.339 122.339 118.953 3.386 25495 7238 1 18 . 1 1 47 47 MET HA H 47 4.225 4.225 4.226 -0.002 25495 7239 1 18 . 1 1 47 47 MET CA C 47 59.117 59.117 57.966 1.151 25495 7240 1 18 . 1 1 47 47 MET CB C 47 32.404 32.404 32.150 0.254 25495 7241 1 18 . 1 1 47 47 MET H H 47 7.889 7.889 7.827 0.062 25495 7242 1 18 . 1 1 48 48 LEU N N 48 117.654 117.654 116.796 0.858 25495 7243 1 18 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.370 0.038 25495 7244 1 18 . 1 1 48 48 LEU CA C 48 54.657 54.657 54.785 -0.128 25495 7245 1 18 . 1 1 48 48 LEU CB C 48 41.779 41.779 41.925 -0.146 25495 7246 1 18 . 1 1 48 48 LEU H H 48 7.516 7.516 7.672 -0.156 25495 7247 1 18 . 1 1 49 49 GLY N N 49 107.494 107.494 106.922 0.572 25495 7248 1 18 . 1 1 49 49 GLY CA C 49 45.899 45.899 45.112 0.786 25495 7249 1 18 . 1 1 49 49 GLY H H 49 7.875 7.875 7.641 0.234 25495 7250 1 18 . 1 1 50 50 GLN N N 50 118.165 118.165 119.978 -1.813 25495 7251 1 18 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.506 -0.002 25495 7252 1 18 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.556 -0.494 25495 7253 1 18 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.503 -0.407 25495 7254 1 18 . 1 1 50 50 GLN H H 50 8.025 8.025 8.325 -0.300 25495 7255 1 18 . 1 1 51 51 ASN N N 51 116.752 116.752 119.826 -3.074 25495 7256 1 18 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.023 0.133 25495 7257 1 18 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.796 0.388 25495 7258 1 18 . 1 1 51 51 ASN CB C 51 39.252 39.252 37.929 1.323 25495 7259 1 18 . 1 1 51 51 ASN H H 51 8.706 8.706 8.513 0.193 25495 7260 1 18 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.643 0.128 25495 7261 1 18 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.827 -0.604 25495 7262 1 18 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.098 -0.082 25495 7263 1 18 . 1 1 53 53 THR N N 53 114.441 114.441 109.542 4.899 25495 7264 1 18 . 1 1 53 53 THR HA H 53 4.623 4.623 4.748 -0.125 25495 7265 1 18 . 1 1 53 53 THR CA C 53 60.314 60.314 59.134 1.180 25495 7266 1 18 . 1 1 53 53 THR CB C 53 68.422 68.422 68.741 -0.319 25495 7267 1 18 . 1 1 53 53 THR H H 53 8.899 8.899 7.843 1.056 25495 7268 1 18 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.120 0.061 25495 7269 1 18 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.704 0.483 25495 7270 1 18 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.770 -0.002 25495 7271 1 18 . 1 1 55 55 GLU N N 55 117.303 117.303 116.765 0.538 25495 7272 1 18 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.043 -0.018 25495 7273 1 18 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.696 0.814 25495 7274 1 18 . 1 1 55 55 GLU CB C 55 28.766 28.766 29.050 -0.284 25495 7275 1 18 . 1 1 55 55 GLU H H 55 8.751 8.751 8.977 -0.226 25495 7276 1 18 . 1 1 56 56 GLU N N 56 121.627 121.627 119.612 2.015 25495 7277 1 18 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.135 -0.138 25495 7278 1 18 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.664 0.536 25495 7279 1 18 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.411 0.638 25495 7280 1 18 . 1 1 56 56 GLU H H 56 7.813 7.813 7.657 0.156 25495 7281 1 18 . 1 1 57 57 LEU N N 57 118.921 118.921 120.230 -1.309 25495 7282 1 18 . 1 1 57 57 LEU HA H 57 4.032 4.032 3.956 0.076 25495 7283 1 18 . 1 1 57 57 LEU CA C 57 57.774 57.774 58.068 -0.294 25495 7284 1 18 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.767 0.881 25495 7285 1 18 . 1 1 57 57 LEU H H 57 8.143 8.143 7.939 0.204 25495 7286 1 18 . 1 1 58 58 GLN N N 58 117.966 117.966 119.122 -1.156 25495 7287 1 18 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.992 -0.286 25495 7288 1 18 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.687 -0.450 25495 7289 1 18 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.242 0.241 25495 7290 1 18 . 1 1 58 58 GLN H H 58 8.001 8.001 7.971 0.030 25495 7291 1 18 . 1 1 59 59 GLU N N 59 119.177 119.177 120.339 -1.162 25495 7292 1 18 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.020 0.021 25495 7293 1 18 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.270 0.368 25495 7294 1 18 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.428 0.002 25495 7295 1 18 . 1 1 59 59 GLU H H 59 7.935 7.935 7.828 0.107 25495 7296 1 18 . 1 1 60 60 MET N N 60 117.654 117.654 118.294 -0.640 25495 7297 1 18 . 1 1 60 60 MET HA H 60 3.936 3.936 4.218 -0.282 25495 7298 1 18 . 1 1 60 60 MET CA C 60 59.488 59.488 57.809 1.679 25495 7299 1 18 . 1 1 60 60 MET CB C 60 33.570 33.570 32.138 1.433 25495 7300 1 18 . 1 1 60 60 MET H H 60 7.640 7.640 7.912 -0.272 25495 7301 1 18 . 1 1 61 61 ILE N N 61 118.132 118.132 120.286 -2.154 25495 7302 1 18 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.622 -0.267 25495 7303 1 18 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.512 -1.121 25495 7304 1 18 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.479 -0.040 25495 7305 1 18 . 1 1 61 61 ILE H H 61 7.334 7.334 7.913 -0.579 25495 7306 1 18 . 1 1 62 62 ASP N N 62 119.480 119.480 120.575 -1.095 25495 7307 1 18 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.382 -0.108 25495 7308 1 18 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.122 0.302 25495 7309 1 18 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.542 -0.235 25495 7310 1 18 . 1 1 62 62 ASP H H 62 8.754 8.754 7.884 0.870 25495 7311 1 18 . 1 1 63 63 GLU N N 63 116.032 116.032 118.680 -2.648 25495 7312 1 18 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.116 -0.085 25495 7313 1 18 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.940 -0.122 25495 7314 1 18 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.151 0.308 25495 7315 1 18 . 1 1 63 63 GLU H H 63 7.588 7.588 7.871 -0.283 25495 7316 1 18 . 1 1 64 64 VAL N N 64 107.386 107.386 116.564 -9.178 25495 7317 1 18 . 1 1 64 64 VAL HA H 64 4.526 4.526 3.939 0.587 25495 7318 1 18 . 1 1 64 64 VAL CA C 64 60.594 60.594 64.220 -3.626 25495 7319 1 18 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.498 -0.137 25495 7320 1 18 . 1 1 64 64 VAL H H 64 7.222 7.222 7.444 -0.222 25495 7321 1 18 . 1 1 65 65 ASP N N 65 121.993 121.993 119.715 2.278 25495 7322 1 18 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.517 0.143 25495 7323 1 18 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.081 -0.611 25495 7324 1 18 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.314 -0.917 25495 7325 1 18 . 1 1 65 65 ASP H H 65 7.576 7.576 8.131 -0.555 25495 7326 1 18 . 1 1 66 66 GLU N N 66 128.234 128.234 125.514 2.720 25495 7327 1 18 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.052 0.128 25495 7328 1 18 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.616 -0.145 25495 7329 1 18 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.963 0.907 25495 7330 1 18 . 1 1 66 66 GLU H H 66 8.586 8.586 8.728 -0.142 25495 7331 1 18 . 1 1 67 67 ASP N N 67 114.535 114.535 114.968 -0.433 25495 7332 1 18 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.592 0.130 25495 7333 1 18 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.737 -1.309 25495 7334 1 18 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.262 0.075 25495 7335 1 18 . 1 1 67 67 ASP H H 67 7.969 7.969 8.215 -0.246 25495 7336 1 18 . 1 1 68 68 GLY N N 68 108.961 108.961 107.881 1.080 25495 7337 1 18 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.927 1.251 25495 7338 1 18 . 1 1 68 68 GLY H H 68 7.766 7.766 7.813 -0.047 25495 7339 1 18 . 1 1 69 69 SER N N 69 116.683 116.683 115.473 1.210 25495 7340 1 18 . 1 1 69 69 SER HA H 69 4.234 4.234 4.213 0.021 25495 7341 1 18 . 1 1 69 69 SER CA C 69 60.271 60.271 59.905 0.366 25495 7342 1 18 . 1 1 69 69 SER CB C 69 64.864 64.864 63.728 1.136 25495 7343 1 18 . 1 1 69 69 SER H H 69 8.469 8.469 9.300 -0.831 25495 7344 1 18 . 1 1 70 70 GLY N N 70 116.564 116.564 111.128 5.436 25495 7345 1 18 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.387 0.307 25495 7346 1 18 . 1 1 70 70 GLY H H 70 10.834 10.834 8.453 2.381 25495 7347 1 18 . 1 1 71 71 THR N N 71 107.543 107.543 111.063 -3.520 25495 7348 1 18 . 1 1 71 71 THR HA H 71 4.891 4.891 5.031 -0.140 25495 7349 1 18 . 1 1 71 71 THR CA C 71 58.480 58.480 59.469 -0.989 25495 7350 1 18 . 1 1 71 71 THR CB C 71 73.920 73.920 72.543 1.377 25495 7351 1 18 . 1 1 71 71 THR H H 71 7.651 7.651 7.490 0.161 25495 7352 1 18 . 1 1 72 72 VAL N N 72 126.890 126.890 122.280 4.610 25495 7353 1 18 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.861 0.207 25495 7354 1 18 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.797 0.894 25495 7355 1 18 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.069 0.901 25495 7356 1 18 . 1 1 72 72 VAL H H 72 9.698 9.698 8.627 1.071 25495 7357 1 18 . 1 1 73 73 ASP N N 73 129.120 129.120 127.904 1.216 25495 7358 1 18 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.122 0.032 25495 7359 1 18 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.899 -0.451 25495 7360 1 18 . 1 1 73 73 ASP CB C 73 41.552 41.552 42.878 -1.326 25495 7361 1 18 . 1 1 73 73 ASP H H 73 8.807 8.807 9.341 -0.534 25495 7362 1 18 . 1 1 74 74 PHE N N 74 118.110 118.110 121.118 -3.008 25495 7363 1 18 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.450 -0.117 25495 7364 1 18 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.450 -0.797 25495 7365 1 18 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.071 -0.531 25495 7366 1 18 . 1 1 74 74 PHE H H 74 8.511 8.511 8.738 -0.227 25495 7367 1 18 . 1 1 75 75 ASP N N 75 117.145 117.145 117.657 -0.512 25495 7368 1 18 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.376 -0.395 25495 7369 1 18 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.371 0.633 25495 7370 1 18 . 1 1 75 75 ASP CB C 75 40.342 40.342 38.982 1.360 25495 7371 1 18 . 1 1 75 75 ASP H H 75 7.601 7.601 8.924 -1.323 25495 7372 1 18 . 1 1 76 76 GLU N N 76 120.605 120.605 119.895 0.710 25495 7373 1 18 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.061 -0.011 25495 7374 1 18 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.221 -0.891 25495 7375 1 18 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.319 0.776 25495 7376 1 18 . 1 1 76 76 GLU H H 76 8.235 8.235 8.408 -0.173 25495 7377 1 18 . 1 1 77 77 PHE N N 77 123.122 123.122 120.796 2.326 25495 7378 1 18 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.249 -0.274 25495 7379 1 18 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.591 -1.083 25495 7380 1 18 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.462 0.101 25495 7381 1 18 . 1 1 77 77 PHE H H 77 8.983 8.983 8.639 0.344 25495 7382 1 18 . 1 1 78 78 LEU N N 78 118.537 118.537 120.018 -1.481 25495 7383 1 18 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.968 -0.679 25495 7384 1 18 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.419 -0.310 25495 7385 1 18 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.397 0.083 25495 7386 1 18 . 1 1 78 78 LEU H H 78 7.842 7.842 7.709 0.133 25495 7387 1 18 . 1 1 79 79 VAL N N 79 117.650 117.650 119.889 -2.239 25495 7388 1 18 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.880 -0.609 25495 7389 1 18 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.955 -0.520 25495 7390 1 18 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.391 -0.377 25495 7391 1 18 . 1 1 79 79 VAL H H 79 6.834 6.834 7.713 -0.879 25495 7392 1 18 . 1 1 80 80 MET N N 80 120.117 120.117 120.177 -0.060 25495 7393 1 18 . 1 1 80 80 MET HA H 80 3.550 3.550 3.996 -0.446 25495 7394 1 18 . 1 1 80 80 MET CA C 80 59.506 59.506 58.082 1.424 25495 7395 1 18 . 1 1 80 80 MET CB C 80 34.002 34.002 31.830 2.172 25495 7396 1 18 . 1 1 80 80 MET H H 80 7.990 7.990 7.812 0.178 25495 7397 1 18 . 1 1 81 81 MET N N 81 116.622 116.622 119.629 -3.007 25495 7398 1 18 . 1 1 81 81 MET HA H 81 4.074 4.074 4.019 0.055 25495 7399 1 18 . 1 1 81 81 MET CA C 81 56.657 56.657 59.531 -2.873 25495 7400 1 18 . 1 1 81 81 MET CB C 81 32.334 32.334 32.577 -0.242 25495 7401 1 18 . 1 1 81 81 MET H H 81 8.148 8.148 7.647 0.500 25495 7402 1 18 . 1 1 82 82 VAL N N 82 117.651 117.651 118.975 -1.324 25495 7403 1 18 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.429 0.505 25495 7404 1 18 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.590 -0.413 25495 7405 1 18 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.327 -0.084 25495 7406 1 18 . 1 1 82 82 VAL H H 82 8.082 8.082 7.748 0.334 25495 7407 1 18 . 1 1 83 83 ARG N N 83 120.226 120.226 120.429 -0.203 25495 7408 1 18 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.117 -0.296 25495 7409 1 18 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.580 0.010 25495 7410 1 18 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.160 -0.178 25495 7411 1 18 . 1 1 83 83 ARG H H 83 8.086 8.086 8.582 -0.496 25495 7412 1 18 . 1 1 84 84 CYS N N 84 115.892 115.892 117.452 -1.560 25495 7413 1 18 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.149 0.285 25495 7414 1 18 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.188 -0.651 25495 7415 1 18 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.441 -0.001 25495 7416 1 18 . 1 1 84 84 CYS H H 84 7.754 7.754 8.270 -0.516 25495 7417 1 18 . 1 1 85 85 MET HA H 85 4.416 4.416 4.282 0.134 25495 7418 1 18 . 1 1 85 85 MET CA C 85 57.720 57.720 57.640 0.080 25495 7419 1 18 . 1 1 85 85 MET CB C 85 34.275 34.275 32.890 1.385 25495 7420 1 18 . 1 1 86 86 LYS N N 86 119.961 119.961 115.656 4.305 25495 7421 1 18 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.166 0.182 25495 7422 1 18 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.636 0.092 25495 7423 1 18 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.211 1.158 25495 7424 1 18 . 1 1 86 86 LYS H H 86 7.886 7.886 7.849 0.037 25495 7425 1 18 . 1 1 87 87 ASP N N 87 121.700 121.700 121.932 -0.232 25495 7426 1 18 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.436 0.285 25495 7427 1 18 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.569 -0.987 25495 7428 1 18 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.450 -0.148 25495 7429 1 18 . 1 1 87 87 ASP H H 87 8.219 8.219 7.716 0.503 25495 7430 1 18 . 1 1 88 88 ASP N N 88 121.739 121.739 126.564 -4.825 25495 7431 1 18 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.865 -0.134 25495 7432 1 18 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.705 0.549 25495 7433 1 18 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.380 0.968 25495 7434 1 18 . 1 1 88 88 ASP H H 88 8.256 8.256 8.623 -0.367 25495 7435 1 19 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.389 0.267 25495 7436 1 19 . 1 1 2 2 ASP CA C 2 54.796 54.796 57.520 -2.724 25495 7437 1 19 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.589 1.035 25495 7438 1 19 . 1 1 3 3 ASP N N 3 122.846 122.846 120.482 2.364 25495 7439 1 19 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.497 -0.008 25495 7440 1 19 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.636 -0.811 25495 7441 1 19 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.558 0.863 25495 7442 1 19 . 1 1 3 3 ASP H H 3 8.509 8.509 8.479 0.030 25495 7443 1 19 . 1 1 4 4 ILE N N 4 119.356 119.356 119.996 -0.640 25495 7444 1 19 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.804 0.112 25495 7445 1 19 . 1 1 4 4 ILE CA C 4 63.695 63.695 63.482 0.213 25495 7446 1 19 . 1 1 4 4 ILE CB C 4 37.856 37.856 36.829 1.027 25495 7447 1 19 . 1 1 4 4 ILE H H 4 8.227 8.227 7.818 0.409 25495 7448 1 19 . 1 1 5 5 TYR N N 5 121.143 121.143 121.238 -0.095 25495 7449 1 19 . 1 1 5 5 TYR HA H 5 4.411 4.411 3.945 0.466 25495 7450 1 19 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.202 -2.063 25495 7451 1 19 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.134 -0.346 25495 7452 1 19 . 1 1 5 5 TYR H H 5 7.639 7.639 8.390 -0.751 25495 7453 1 19 . 1 1 6 6 LYS N N 6 120.843 120.843 119.404 1.439 25495 7454 1 19 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.562 0.427 25495 7455 1 19 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.616 -0.038 25495 7456 1 19 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.340 -0.021 25495 7457 1 19 . 1 1 6 6 LYS H H 6 7.929 7.929 8.094 -0.165 25495 7458 1 19 . 1 1 7 7 ALA N N 7 120.497 120.497 121.173 -0.676 25495 7459 1 19 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.074 0.070 25495 7460 1 19 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.776 -0.124 25495 7461 1 19 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.101 -0.123 25495 7462 1 19 . 1 1 7 7 ALA H H 7 7.934 7.934 8.084 -0.150 25495 7463 1 19 . 1 1 8 8 ALA N N 8 119.953 119.953 121.181 -1.228 25495 7464 1 19 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.950 0.232 25495 7465 1 19 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.776 -0.102 25495 7466 1 19 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.655 -0.182 25495 7467 1 19 . 1 1 8 8 ALA H H 8 7.479 7.479 8.230 -0.751 25495 7468 1 19 . 1 1 9 9 VAL N N 9 119.227 119.227 116.726 2.501 25495 7469 1 19 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.647 -0.086 25495 7470 1 19 . 1 1 9 9 VAL CA C 9 66.248 66.248 65.754 0.494 25495 7471 1 19 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.183 0.881 25495 7472 1 19 . 1 1 9 9 VAL H H 9 8.030 8.030 7.766 0.264 25495 7473 1 19 . 1 1 10 10 GLU N N 10 118.451 118.451 118.758 -0.307 25495 7474 1 19 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.183 -0.066 25495 7475 1 19 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.239 0.121 25495 7476 1 19 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.579 -0.030 25495 7477 1 19 . 1 1 10 10 GLU H H 10 7.763 7.763 8.065 -0.302 25495 7478 1 19 . 1 1 11 11 GLN N N 11 114.938 114.938 117.411 -2.473 25495 7479 1 19 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.491 -0.185 25495 7480 1 19 . 1 1 11 11 GLN CA C 11 55.612 55.612 54.374 1.238 25495 7481 1 19 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.466 -0.078 25495 7482 1 19 . 1 1 11 11 GLN H H 11 7.405 7.405 7.856 -0.451 25495 7483 1 19 . 1 1 12 12 LEU N N 12 120.828 120.828 117.329 3.499 25495 7484 1 19 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.366 0.165 25495 7485 1 19 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.385 -0.065 25495 7486 1 19 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.082 1.044 25495 7487 1 19 . 1 1 12 12 LEU H H 12 7.385 7.385 7.466 -0.081 25495 7488 1 19 . 1 1 13 13 THR N N 13 113.928 113.928 107.752 6.176 25495 7489 1 19 . 1 1 13 13 THR HA H 13 4.445 4.445 4.589 -0.144 25495 7490 1 19 . 1 1 13 13 THR CA C 13 60.804 60.804 60.301 0.503 25495 7491 1 19 . 1 1 13 13 THR CB C 13 71.151 71.151 70.701 0.451 25495 7492 1 19 . 1 1 13 13 THR H H 13 8.930 8.930 7.964 0.966 25495 7493 1 19 . 1 1 14 14 GLU N N 14 121.720 121.720 122.969 -1.249 25495 7494 1 19 . 1 1 14 14 GLU HA H 14 3.988 3.988 4.067 -0.079 25495 7495 1 19 . 1 1 14 14 GLU CA C 14 59.958 59.958 59.358 0.600 25495 7496 1 19 . 1 1 14 14 GLU CB C 14 29.275 29.275 28.927 0.348 25495 7497 1 19 . 1 1 14 14 GLU H H 14 9.028 9.028 9.051 -0.023 25495 7498 1 19 . 1 1 15 15 GLU N N 15 117.744 117.744 119.633 -1.889 25495 7499 1 19 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.084 -0.021 25495 7500 1 19 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.301 1.034 25495 7501 1 19 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.235 -0.075 25495 7502 1 19 . 1 1 15 15 GLU H H 15 8.651 8.651 8.641 0.010 25495 7503 1 19 . 1 1 16 16 GLN N N 16 119.476 119.476 117.982 1.494 25495 7504 1 19 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.169 -0.357 25495 7505 1 19 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.590 0.519 25495 7506 1 19 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.527 0.864 25495 7507 1 19 . 1 1 16 16 GLN H H 16 7.872 7.872 7.698 0.174 25495 7508 1 19 . 1 1 17 17 LYS N N 17 118.609 118.609 120.157 -1.548 25495 7509 1 19 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.248 -0.237 25495 7510 1 19 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.804 2.069 25495 7511 1 19 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.027 0.122 25495 7512 1 19 . 1 1 17 17 LYS H H 17 8.572 8.572 7.806 0.766 25495 7513 1 19 . 1 1 18 18 ASN N N 18 117.908 117.908 118.467 -0.559 25495 7514 1 19 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.538 0.026 25495 7515 1 19 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.183 -0.161 25495 7516 1 19 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.431 -0.547 25495 7517 1 19 . 1 1 18 18 ASN H H 18 8.581 8.581 8.062 0.519 25495 7518 1 19 . 1 1 19 19 GLU N N 19 123.446 123.446 120.417 3.029 25495 7519 1 19 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.059 0.119 25495 7520 1 19 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.406 0.520 25495 7521 1 19 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.736 -0.732 25495 7522 1 19 . 1 1 19 19 GLU H H 19 7.993 7.993 8.022 -0.029 25495 7523 1 19 . 1 1 20 20 PHE N N 20 117.821 117.821 121.268 -3.447 25495 7524 1 19 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.380 0.542 25495 7525 1 19 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.182 -1.338 25495 7526 1 19 . 1 1 20 20 PHE CB C 20 37.902 37.902 39.088 -1.186 25495 7527 1 19 . 1 1 20 20 PHE H H 20 8.528 8.528 8.867 -0.339 25495 7528 1 19 . 1 1 21 21 LYS N N 21 122.656 122.656 119.341 3.315 25495 7529 1 19 . 1 1 21 21 LYS HA H 21 4.029 4.029 2.965 1.064 25495 7530 1 19 . 1 1 21 21 LYS CA C 21 58.695 58.695 58.694 0.001 25495 7531 1 19 . 1 1 21 21 LYS CB C 21 31.651 31.651 31.861 -0.210 25495 7532 1 19 . 1 1 21 21 LYS H H 21 8.929 8.929 7.849 1.080 25495 7533 1 19 . 1 1 22 22 ALA N N 22 121.479 121.479 121.063 0.416 25495 7534 1 19 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.079 0.127 25495 7535 1 19 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.934 0.166 25495 7536 1 19 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.085 -0.219 25495 7537 1 19 . 1 1 22 22 ALA H H 22 7.799 7.799 7.920 -0.121 25495 7538 1 19 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.104 -0.021 25495 7539 1 19 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.943 0.218 25495 7540 1 19 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.479 0.518 25495 7541 1 19 . 1 1 24 24 PHE N N 24 121.493 121.493 119.041 2.452 25495 7542 1 19 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.668 -0.195 25495 7543 1 19 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.573 0.853 25495 7544 1 19 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.088 0.691 25495 7545 1 19 . 1 1 24 24 PHE H H 24 9.053 9.053 8.071 0.982 25495 7546 1 19 . 1 1 25 25 ASP N N 25 116.518 116.518 119.768 -3.250 25495 7547 1 19 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.390 -0.161 25495 7548 1 19 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.201 -0.176 25495 7549 1 19 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.649 -0.786 25495 7550 1 19 . 1 1 25 25 ASP H H 25 8.512 8.512 7.898 0.614 25495 7551 1 19 . 1 1 26 26 ILE N N 26 119.213 119.213 119.334 -0.121 25495 7552 1 19 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.593 0.192 25495 7553 1 19 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.718 -1.030 25495 7554 1 19 . 1 1 26 26 ILE CB C 26 37.954 37.954 37.923 0.031 25495 7555 1 19 . 1 1 26 26 ILE H H 26 7.221 7.221 7.518 -0.297 25495 7556 1 19 . 1 1 27 27 PHE N N 27 123.265 123.265 118.193 5.072 25495 7557 1 19 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.109 0.629 25495 7558 1 19 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.339 -1.330 25495 7559 1 19 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.996 1.314 25495 7560 1 19 . 1 1 27 27 PHE H H 27 8.287 8.287 7.863 0.424 25495 7561 1 19 . 1 1 28 28 VAL N N 28 106.013 106.013 112.316 -6.303 25495 7562 1 19 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.142 -0.169 25495 7563 1 19 . 1 1 28 28 VAL CA C 28 61.298 61.298 60.709 0.589 25495 7564 1 19 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.813 0.766 25495 7565 1 19 . 1 1 28 28 VAL H H 28 7.544 7.544 7.634 -0.090 25495 7566 1 19 . 1 1 29 29 LEU N N 29 125.830 125.830 120.034 5.796 25495 7567 1 19 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.144 -0.068 25495 7568 1 19 . 1 1 29 29 LEU CA C 29 57.516 57.516 55.622 1.894 25495 7569 1 19 . 1 1 29 29 LEU CB C 29 41.577 41.577 39.177 2.400 25495 7570 1 19 . 1 1 29 29 LEU H H 29 7.240 7.240 7.378 -0.138 25495 7571 1 19 . 1 1 30 30 GLY N N 30 112.625 112.625 109.225 3.400 25495 7572 1 19 . 1 1 30 30 GLY CA C 30 45.409 45.409 45.136 0.273 25495 7573 1 19 . 1 1 30 30 GLY H H 30 8.879 8.879 8.267 0.612 25495 7574 1 19 . 1 1 31 31 ALA N N 31 124.424 124.424 121.588 2.836 25495 7575 1 19 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.175 0.276 25495 7576 1 19 . 1 1 31 31 ALA CA C 31 52.173 52.173 52.491 -0.318 25495 7577 1 19 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.709 0.148 25495 7578 1 19 . 1 1 31 31 ALA H H 31 8.077 8.077 7.836 0.241 25495 7579 1 19 . 1 1 32 32 GLU N N 32 125.293 125.293 123.488 1.805 25495 7580 1 19 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.060 0.026 25495 7581 1 19 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.628 0.480 25495 7582 1 19 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.664 0.162 25495 7583 1 19 . 1 1 32 32 GLU H H 32 9.216 9.216 8.775 0.441 25495 7584 1 19 . 1 1 33 33 ASP N N 33 115.502 115.502 118.614 -3.112 25495 7585 1 19 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.619 0.090 25495 7586 1 19 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.911 -1.919 25495 7587 1 19 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.867 0.211 25495 7588 1 19 . 1 1 33 33 ASP H H 33 8.177 8.177 8.367 -0.190 25495 7589 1 19 . 1 1 34 34 GLY N N 34 105.896 105.896 106.763 -0.867 25495 7590 1 19 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.660 0.978 25495 7591 1 19 . 1 1 34 34 GLY H H 34 7.588 7.588 8.518 -0.930 25495 7592 1 19 . 1 1 35 35 CYS N N 35 114.179 114.179 117.006 -2.827 25495 7593 1 19 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.710 0.279 25495 7594 1 19 . 1 1 35 35 CYS CA C 35 57.668 57.668 56.981 0.687 25495 7595 1 19 . 1 1 35 35 CYS CB C 35 31.737 31.737 31.397 0.340 25495 7596 1 19 . 1 1 35 35 CYS H H 35 7.438 7.438 7.637 -0.199 25495 7597 1 19 . 1 1 36 36 ILE N N 36 119.578 119.578 122.359 -2.781 25495 7598 1 19 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.140 -0.434 25495 7599 1 19 . 1 1 36 36 ILE CA C 36 62.762 62.762 61.359 1.403 25495 7600 1 19 . 1 1 36 36 ILE CB C 36 39.786 39.786 37.270 2.516 25495 7601 1 19 . 1 1 36 36 ILE H H 36 8.847 8.847 8.222 0.625 25495 7602 1 19 . 1 1 37 37 SER N N 37 126.282 126.282 122.559 3.723 25495 7603 1 19 . 1 1 37 37 SER HA H 37 5.059 5.059 5.114 -0.055 25495 7604 1 19 . 1 1 37 37 SER CA C 37 57.226 57.226 55.837 1.389 25495 7605 1 19 . 1 1 37 37 SER CB C 37 66.983 66.983 65.656 1.327 25495 7606 1 19 . 1 1 37 37 SER H H 37 9.462 9.462 8.966 0.496 25495 7607 1 19 . 1 1 38 38 THR N N 38 112.015 112.015 113.841 -1.826 25495 7608 1 19 . 1 1 38 38 THR HA H 38 3.730 3.730 4.063 -0.333 25495 7609 1 19 . 1 1 38 38 THR CA C 38 66.443 66.443 65.943 0.500 25495 7610 1 19 . 1 1 38 38 THR CB C 38 67.740 67.740 68.634 -0.894 25495 7611 1 19 . 1 1 38 38 THR H H 38 8.796 8.796 8.722 0.074 25495 7612 1 19 . 1 1 39 39 LYS N N 39 123.244 123.244 121.483 1.761 25495 7613 1 19 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.060 -0.000 25495 7614 1 19 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.483 0.074 25495 7615 1 19 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.577 -0.337 25495 7616 1 19 . 1 1 39 39 LYS H H 39 8.050 8.050 8.044 0.006 25495 7617 1 19 . 1 1 40 40 GLU N N 40 119.359 119.359 119.835 -0.476 25495 7618 1 19 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.045 0.153 25495 7619 1 19 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.692 1.074 25495 7620 1 19 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.354 0.560 25495 7621 1 19 . 1 1 40 40 GLU H H 40 7.750 7.750 7.705 0.045 25495 7622 1 19 . 1 1 41 41 LEU N N 41 119.256 119.256 119.556 -0.300 25495 7623 1 19 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.143 0.055 25495 7624 1 19 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.518 0.366 25495 7625 1 19 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.571 1.007 25495 7626 1 19 . 1 1 41 41 LEU H H 41 8.349 8.349 8.401 -0.052 25495 7627 1 19 . 1 1 42 42 GLY N N 42 106.053 106.053 107.364 -1.311 25495 7628 1 19 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.155 0.985 25495 7629 1 19 . 1 1 42 42 GLY H H 42 8.503 8.503 7.957 0.546 25495 7630 1 19 . 1 1 43 43 LYS N N 43 120.946 120.946 122.216 -1.270 25495 7631 1 19 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.012 -0.005 25495 7632 1 19 . 1 1 43 43 LYS CA C 43 59.961 59.961 59.265 0.696 25495 7633 1 19 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.415 -0.041 25495 7634 1 19 . 1 1 43 43 LYS H H 43 7.319 7.319 7.599 -0.280 25495 7635 1 19 . 1 1 44 44 VAL N N 44 119.639 119.639 120.304 -0.665 25495 7636 1 19 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.637 -0.042 25495 7637 1 19 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.255 0.051 25495 7638 1 19 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.875 -0.083 25495 7639 1 19 . 1 1 44 44 VAL H H 44 7.570 7.570 7.557 0.013 25495 7640 1 19 . 1 1 45 45 MET N N 45 116.846 116.846 118.153 -1.307 25495 7641 1 19 . 1 1 45 45 MET HA H 45 4.186 4.186 4.161 0.025 25495 7642 1 19 . 1 1 45 45 MET CA C 45 58.345 58.345 57.598 0.747 25495 7643 1 19 . 1 1 45 45 MET CB C 45 31.125 31.125 31.191 -0.066 25495 7644 1 19 . 1 1 45 45 MET H H 45 8.438 8.438 8.642 -0.204 25495 7645 1 19 . 1 1 46 46 ARG N N 46 118.762 118.762 120.166 -1.404 25495 7646 1 19 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.163 0.489 25495 7647 1 19 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.375 -0.024 25495 7648 1 19 . 1 1 46 46 ARG CB C 46 30.055 30.055 30.038 0.017 25495 7649 1 19 . 1 1 46 46 ARG H H 46 8.114 8.114 7.729 0.385 25495 7650 1 19 . 1 1 47 47 MET N N 47 122.339 122.339 118.199 4.140 25495 7651 1 19 . 1 1 47 47 MET HA H 47 4.225 4.225 4.249 -0.024 25495 7652 1 19 . 1 1 47 47 MET CA C 47 59.117 59.117 57.944 1.173 25495 7653 1 19 . 1 1 47 47 MET CB C 47 32.404 32.404 32.773 -0.369 25495 7654 1 19 . 1 1 47 47 MET H H 47 7.889 7.889 7.623 0.266 25495 7655 1 19 . 1 1 48 48 LEU N N 48 117.654 117.654 118.323 -0.669 25495 7656 1 19 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.408 -0.000 25495 7657 1 19 . 1 1 48 48 LEU CA C 48 54.657 54.657 54.590 0.067 25495 7658 1 19 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.223 -0.444 25495 7659 1 19 . 1 1 48 48 LEU H H 48 7.516 7.516 7.786 -0.270 25495 7660 1 19 . 1 1 49 49 GLY N N 49 107.494 107.494 106.903 0.591 25495 7661 1 19 . 1 1 49 49 GLY CA C 49 45.899 45.899 45.016 0.883 25495 7662 1 19 . 1 1 49 49 GLY H H 49 7.875 7.875 7.600 0.275 25495 7663 1 19 . 1 1 50 50 GLN N N 50 118.165 118.165 120.323 -2.158 25495 7664 1 19 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.586 -0.082 25495 7665 1 19 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.041 0.021 25495 7666 1 19 . 1 1 50 50 GLN CB C 50 31.096 31.096 30.922 0.174 25495 7667 1 19 . 1 1 50 50 GLN H H 50 8.025 8.025 7.891 0.134 25495 7668 1 19 . 1 1 51 51 ASN N N 51 116.752 116.752 120.569 -3.817 25495 7669 1 19 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.072 0.084 25495 7670 1 19 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.862 0.322 25495 7671 1 19 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.357 0.895 25495 7672 1 19 . 1 1 51 51 ASN H H 51 8.706 8.706 8.646 0.060 25495 7673 1 19 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.875 -0.104 25495 7674 1 19 . 1 1 52 52 PRO CA C 52 62.223 62.223 63.001 -0.778 25495 7675 1 19 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.050 -0.034 25495 7676 1 19 . 1 1 53 53 THR N N 53 114.441 114.441 109.020 5.421 25495 7677 1 19 . 1 1 53 53 THR HA H 53 4.623 4.623 4.723 -0.100 25495 7678 1 19 . 1 1 53 53 THR CA C 53 60.314 60.314 58.865 1.449 25495 7679 1 19 . 1 1 53 53 THR CB C 53 68.422 68.422 69.237 -0.815 25495 7680 1 19 . 1 1 53 53 THR H H 53 8.899 8.899 7.887 1.012 25495 7681 1 19 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.107 0.074 25495 7682 1 19 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.798 0.389 25495 7683 1 19 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.667 0.101 25495 7684 1 19 . 1 1 55 55 GLU N N 55 117.303 117.303 116.567 0.736 25495 7685 1 19 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.086 -0.061 25495 7686 1 19 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.670 0.839 25495 7687 1 19 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.654 0.112 25495 7688 1 19 . 1 1 55 55 GLU H H 55 8.751 8.751 8.983 -0.232 25495 7689 1 19 . 1 1 56 56 GLU N N 56 121.627 121.627 119.585 2.042 25495 7690 1 19 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.137 -0.140 25495 7691 1 19 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.554 0.646 25495 7692 1 19 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.354 0.695 25495 7693 1 19 . 1 1 56 56 GLU H H 56 7.813 7.813 7.896 -0.083 25495 7694 1 19 . 1 1 57 57 LEU N N 57 118.921 118.921 120.647 -1.726 25495 7695 1 19 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.002 0.030 25495 7696 1 19 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.907 -0.133 25495 7697 1 19 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.568 1.080 25495 7698 1 19 . 1 1 57 57 LEU H H 57 8.143 8.143 8.395 -0.252 25495 7699 1 19 . 1 1 58 58 GLN N N 58 117.966 117.966 119.525 -1.559 25495 7700 1 19 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.922 -0.216 25495 7701 1 19 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.154 -0.916 25495 7702 1 19 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.227 0.256 25495 7703 1 19 . 1 1 58 58 GLN H H 58 8.001 8.001 8.357 -0.356 25495 7704 1 19 . 1 1 59 59 GLU N N 59 119.177 119.177 120.258 -1.081 25495 7705 1 19 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.040 0.001 25495 7706 1 19 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.425 0.213 25495 7707 1 19 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.458 -0.028 25495 7708 1 19 . 1 1 59 59 GLU H H 59 7.935 7.935 7.736 0.199 25495 7709 1 19 . 1 1 60 60 MET N N 60 117.654 117.654 117.762 -0.108 25495 7710 1 19 . 1 1 60 60 MET HA H 60 3.936 3.936 4.169 -0.233 25495 7711 1 19 . 1 1 60 60 MET CA C 60 59.488 59.488 58.021 1.467 25495 7712 1 19 . 1 1 60 60 MET CB C 60 33.570 33.570 32.214 1.356 25495 7713 1 19 . 1 1 60 60 MET H H 60 7.640 7.640 7.692 -0.052 25495 7714 1 19 . 1 1 61 61 ILE N N 61 118.132 118.132 120.078 -1.946 25495 7715 1 19 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.572 -0.217 25495 7716 1 19 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.069 -0.678 25495 7717 1 19 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.730 -0.291 25495 7718 1 19 . 1 1 61 61 ILE H H 61 7.334 7.334 8.021 -0.687 25495 7719 1 19 . 1 1 62 62 ASP N N 62 119.480 119.480 119.135 0.345 25495 7720 1 19 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.306 -0.032 25495 7721 1 19 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.280 0.144 25495 7722 1 19 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.690 -0.383 25495 7723 1 19 . 1 1 62 62 ASP H H 62 8.754 8.754 8.193 0.561 25495 7724 1 19 . 1 1 63 63 GLU N N 63 116.032 116.032 118.177 -2.145 25495 7725 1 19 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.129 -0.098 25495 7726 1 19 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.792 0.026 25495 7727 1 19 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.055 0.404 25495 7728 1 19 . 1 1 63 63 GLU H H 63 7.588 7.588 7.910 -0.322 25495 7729 1 19 . 1 1 64 64 VAL N N 64 107.386 107.386 111.623 -4.237 25495 7730 1 19 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.258 0.268 25495 7731 1 19 . 1 1 64 64 VAL CA C 64 60.594 60.594 61.393 -0.799 25495 7732 1 19 . 1 1 64 64 VAL CB C 64 32.361 32.361 31.901 0.460 25495 7733 1 19 . 1 1 64 64 VAL H H 64 7.222 7.222 7.395 -0.173 25495 7734 1 19 . 1 1 65 65 ASP N N 65 121.993 121.993 120.860 1.133 25495 7735 1 19 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.678 -0.018 25495 7736 1 19 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.114 -0.644 25495 7737 1 19 . 1 1 65 65 ASP CB C 65 40.397 40.397 42.209 -1.812 25495 7738 1 19 . 1 1 65 65 ASP H H 65 7.576 7.576 7.547 0.029 25495 7739 1 19 . 1 1 66 66 GLU N N 66 128.234 128.234 125.105 3.129 25495 7740 1 19 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.165 0.015 25495 7741 1 19 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.077 0.394 25495 7742 1 19 . 1 1 66 66 GLU CB C 66 30.870 30.870 30.231 0.639 25495 7743 1 19 . 1 1 66 66 GLU H H 66 8.586 8.586 8.574 0.012 25495 7744 1 19 . 1 1 67 67 ASP N N 67 114.535 114.535 115.065 -0.530 25495 7745 1 19 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.675 0.047 25495 7746 1 19 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.174 -0.746 25495 7747 1 19 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.513 -0.176 25495 7748 1 19 . 1 1 67 67 ASP H H 67 7.969 7.969 8.176 -0.207 25495 7749 1 19 . 1 1 68 68 GLY N N 68 108.961 108.961 108.512 0.449 25495 7750 1 19 . 1 1 68 68 GLY CA C 68 47.178 47.178 46.118 1.060 25495 7751 1 19 . 1 1 68 68 GLY H H 68 7.766 7.766 7.977 -0.211 25495 7752 1 19 . 1 1 69 69 SER N N 69 116.683 116.683 117.265 -0.582 25495 7753 1 19 . 1 1 69 69 SER HA H 69 4.234 4.234 4.203 0.031 25495 7754 1 19 . 1 1 69 69 SER CA C 69 60.271 60.271 59.742 0.529 25495 7755 1 19 . 1 1 69 69 SER CB C 69 64.864 64.864 63.927 0.937 25495 7756 1 19 . 1 1 69 69 SER H H 69 8.469 8.469 8.858 -0.389 25495 7757 1 19 . 1 1 70 70 GLY N N 70 116.564 116.564 110.468 6.096 25495 7758 1 19 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.398 0.296 25495 7759 1 19 . 1 1 70 70 GLY H H 70 10.834 10.834 9.256 1.578 25495 7760 1 19 . 1 1 71 71 THR N N 71 107.543 107.543 111.034 -3.491 25495 7761 1 19 . 1 1 71 71 THR HA H 71 4.891 4.891 5.200 -0.309 25495 7762 1 19 . 1 1 71 71 THR CA C 71 58.480 58.480 59.859 -1.379 25495 7763 1 19 . 1 1 71 71 THR CB C 71 73.920 73.920 72.456 1.464 25495 7764 1 19 . 1 1 71 71 THR H H 71 7.651 7.651 7.482 0.169 25495 7765 1 19 . 1 1 72 72 VAL N N 72 126.890 126.890 121.987 4.903 25495 7766 1 19 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.745 0.323 25495 7767 1 19 . 1 1 72 72 VAL CA C 72 61.691 61.691 60.969 0.722 25495 7768 1 19 . 1 1 72 72 VAL CB C 72 33.970 33.970 32.976 0.994 25495 7769 1 19 . 1 1 72 72 VAL H H 72 9.698 9.698 8.295 1.403 25495 7770 1 19 . 1 1 73 73 ASP N N 73 129.120 129.120 127.349 1.771 25495 7771 1 19 . 1 1 73 73 ASP HA H 73 5.154 5.154 4.883 0.271 25495 7772 1 19 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.116 0.332 25495 7773 1 19 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.737 -2.185 25495 7774 1 19 . 1 1 73 73 ASP H H 73 8.807 8.807 8.859 -0.052 25495 7775 1 19 . 1 1 74 74 PHE N N 74 118.110 118.110 119.697 -1.587 25495 7776 1 19 . 1 1 74 74 PHE HA H 74 3.333 3.333 4.217 -0.884 25495 7777 1 19 . 1 1 74 74 PHE CA C 74 61.653 61.653 63.358 -1.705 25495 7778 1 19 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.143 -0.603 25495 7779 1 19 . 1 1 74 74 PHE H H 74 8.511 8.511 8.877 -0.366 25495 7780 1 19 . 1 1 75 75 ASP N N 75 117.145 117.145 117.698 -0.553 25495 7781 1 19 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.380 -0.399 25495 7782 1 19 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.340 0.664 25495 7783 1 19 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.604 0.738 25495 7784 1 19 . 1 1 75 75 ASP H H 75 7.601 7.601 8.836 -1.235 25495 7785 1 19 . 1 1 76 76 GLU N N 76 120.605 120.605 120.327 0.278 25495 7786 1 19 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.123 -0.073 25495 7787 1 19 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.109 -0.779 25495 7788 1 19 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.359 0.736 25495 7789 1 19 . 1 1 76 76 GLU H H 76 8.235 8.235 8.431 -0.196 25495 7790 1 19 . 1 1 77 77 PHE N N 77 123.122 123.122 121.178 1.944 25495 7791 1 19 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.217 -0.242 25495 7792 1 19 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.517 -1.008 25495 7793 1 19 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.569 -0.006 25495 7794 1 19 . 1 1 77 77 PHE H H 77 8.983 8.983 8.707 0.276 25495 7795 1 19 . 1 1 78 78 LEU N N 78 118.537 118.537 120.238 -1.701 25495 7796 1 19 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.999 -0.710 25495 7797 1 19 . 1 1 78 78 LEU CA C 78 58.109 58.109 58.168 -0.059 25495 7798 1 19 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.554 -0.075 25495 7799 1 19 . 1 1 78 78 LEU H H 78 7.842 7.842 8.156 -0.314 25495 7800 1 19 . 1 1 79 79 VAL N N 79 117.650 117.650 119.628 -1.978 25495 7801 1 19 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.678 -0.407 25495 7802 1 19 . 1 1 79 79 VAL CA C 79 66.435 66.435 67.034 -0.599 25495 7803 1 19 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.960 -0.946 25495 7804 1 19 . 1 1 79 79 VAL H H 79 6.834 6.834 7.762 -0.928 25495 7805 1 19 . 1 1 80 80 MET N N 80 120.117 120.117 118.860 1.257 25495 7806 1 19 . 1 1 80 80 MET HA H 80 3.550 3.550 4.193 -0.643 25495 7807 1 19 . 1 1 80 80 MET CA C 80 59.506 59.506 57.810 1.696 25495 7808 1 19 . 1 1 80 80 MET CB C 80 34.002 34.002 32.018 1.984 25495 7809 1 19 . 1 1 80 80 MET H H 80 7.990 7.990 7.992 -0.002 25495 7810 1 19 . 1 1 81 81 MET N N 81 116.622 116.622 121.462 -4.840 25495 7811 1 19 . 1 1 81 81 MET HA H 81 4.074 4.074 4.101 -0.027 25495 7812 1 19 . 1 1 81 81 MET CA C 81 56.657 56.657 58.244 -1.587 25495 7813 1 19 . 1 1 81 81 MET CB C 81 32.334 32.334 32.179 0.155 25495 7814 1 19 . 1 1 81 81 MET H H 81 8.148 8.148 7.748 0.400 25495 7815 1 19 . 1 1 82 82 VAL N N 82 117.651 117.651 119.208 -1.557 25495 7816 1 19 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.566 0.368 25495 7817 1 19 . 1 1 82 82 VAL CA C 82 66.177 66.177 67.167 -0.990 25495 7818 1 19 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.687 -0.444 25495 7819 1 19 . 1 1 82 82 VAL H H 82 8.082 8.082 7.860 0.222 25495 7820 1 19 . 1 1 83 83 ARG N N 83 120.226 120.226 120.644 -0.418 25495 7821 1 19 . 1 1 83 83 ARG HA H 83 3.821 3.821 3.924 -0.103 25495 7822 1 19 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.612 -0.022 25495 7823 1 19 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.276 -0.294 25495 7824 1 19 . 1 1 83 83 ARG H H 83 8.086 8.086 8.225 -0.139 25495 7825 1 19 . 1 1 84 84 CYS N N 84 115.892 115.892 115.417 0.475 25495 7826 1 19 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.194 0.240 25495 7827 1 19 . 1 1 84 84 CYS CA C 84 61.537 61.537 61.686 -0.149 25495 7828 1 19 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.431 0.009 25495 7829 1 19 . 1 1 84 84 CYS H H 84 7.754 7.754 8.098 -0.344 25495 7830 1 19 . 1 1 85 85 MET HA H 85 4.416 4.416 4.286 0.130 25495 7831 1 19 . 1 1 85 85 MET CA C 85 57.720 57.720 57.360 0.360 25495 7832 1 19 . 1 1 85 85 MET CB C 85 34.275 34.275 32.764 1.511 25495 7833 1 19 . 1 1 86 86 LYS N N 86 119.961 119.961 116.574 3.387 25495 7834 1 19 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.352 -0.004 25495 7835 1 19 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.266 0.462 25495 7836 1 19 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.016 0.353 25495 7837 1 19 . 1 1 86 86 LYS H H 86 7.886 7.886 7.800 0.086 25495 7838 1 19 . 1 1 87 87 ASP N N 87 121.700 121.700 118.281 3.419 25495 7839 1 19 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.342 0.379 25495 7840 1 19 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.604 -1.022 25495 7841 1 19 . 1 1 87 87 ASP CB C 87 41.302 41.302 40.766 0.536 25495 7842 1 19 . 1 1 87 87 ASP H H 87 8.219 8.219 7.728 0.491 25495 7843 1 19 . 1 1 88 88 ASP N N 88 121.739 121.739 116.922 4.817 25495 7844 1 19 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.736 -0.004 25495 7845 1 19 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.477 0.777 25495 7846 1 19 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.048 1.300 25495 7847 1 19 . 1 1 88 88 ASP H H 88 8.256 8.256 8.411 -0.155 25495 7848 1 20 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.834 -0.178 25495 7849 1 20 . 1 1 2 2 ASP CA C 2 54.796 54.796 53.693 1.103 25495 7850 1 20 . 1 1 2 2 ASP CB C 2 41.624 41.624 41.997 -0.373 25495 7851 1 20 . 1 1 3 3 ASP N N 3 122.846 122.846 124.698 -1.852 25495 7852 1 20 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.384 0.105 25495 7853 1 20 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.669 -0.844 25495 7854 1 20 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.664 0.757 25495 7855 1 20 . 1 1 3 3 ASP H H 3 8.509 8.509 8.862 -0.353 25495 7856 1 20 . 1 1 4 4 ILE N N 4 119.356 119.356 114.777 4.579 25495 7857 1 20 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.821 0.095 25495 7858 1 20 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.176 -0.481 25495 7859 1 20 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.039 0.816 25495 7860 1 20 . 1 1 4 4 ILE H H 4 8.227 8.227 7.992 0.235 25495 7861 1 20 . 1 1 5 5 TYR N N 5 121.143 121.143 121.400 -0.257 25495 7862 1 20 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.027 0.384 25495 7863 1 20 . 1 1 5 5 TYR CA C 5 60.139 60.139 61.419 -1.280 25495 7864 1 20 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.222 -0.434 25495 7865 1 20 . 1 1 5 5 TYR H H 5 7.639 7.639 7.826 -0.187 25495 7866 1 20 . 1 1 6 6 LYS N N 6 120.843 120.843 119.659 1.184 25495 7867 1 20 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.644 0.345 25495 7868 1 20 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.630 -0.052 25495 7869 1 20 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.374 -0.055 25495 7870 1 20 . 1 1 6 6 LYS H H 6 7.929 7.929 7.837 0.092 25495 7871 1 20 . 1 1 7 7 ALA N N 7 120.497 120.497 121.119 -0.622 25495 7872 1 20 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.039 0.105 25495 7873 1 20 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.899 -0.248 25495 7874 1 20 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.003 -0.025 25495 7875 1 20 . 1 1 7 7 ALA H H 7 7.934 7.934 8.255 -0.321 25495 7876 1 20 . 1 1 8 8 ALA N N 8 119.953 119.953 122.033 -2.080 25495 7877 1 20 . 1 1 8 8 ALA HA H 8 4.182 4.182 4.010 0.172 25495 7878 1 20 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.693 -0.018 25495 7879 1 20 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.348 0.125 25495 7880 1 20 . 1 1 8 8 ALA H H 8 7.479 7.479 7.942 -0.463 25495 7881 1 20 . 1 1 9 9 VAL N N 9 119.227 119.227 118.077 1.150 25495 7882 1 20 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.521 0.041 25495 7883 1 20 . 1 1 9 9 VAL CA C 9 66.248 66.248 65.958 0.290 25495 7884 1 20 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.125 0.939 25495 7885 1 20 . 1 1 9 9 VAL H H 9 8.030 8.030 7.548 0.482 25495 7886 1 20 . 1 1 10 10 GLU N N 10 118.451 118.451 117.252 1.199 25495 7887 1 20 . 1 1 10 10 GLU HA H 10 4.117 4.117 3.991 0.126 25495 7888 1 20 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.447 -0.087 25495 7889 1 20 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.721 -0.173 25495 7890 1 20 . 1 1 10 10 GLU H H 10 7.763 7.763 8.022 -0.259 25495 7891 1 20 . 1 1 11 11 GLN N N 11 114.938 114.938 117.573 -2.635 25495 7892 1 20 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.083 0.223 25495 7893 1 20 . 1 1 11 11 GLN CA C 11 55.612 55.612 57.382 -1.770 25495 7894 1 20 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.089 0.299 25495 7895 1 20 . 1 1 11 11 GLN H H 11 7.405 7.405 7.853 -0.448 25495 7896 1 20 . 1 1 12 12 LEU N N 12 120.828 120.828 120.791 0.037 25495 7897 1 20 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.061 0.470 25495 7898 1 20 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.697 -0.377 25495 7899 1 20 . 1 1 12 12 LEU CB C 12 43.126 43.126 41.635 1.491 25495 7900 1 20 . 1 1 12 12 LEU H H 12 7.385 7.385 7.376 0.009 25495 7901 1 20 . 1 1 13 13 THR N N 13 113.928 113.928 113.261 0.667 25495 7902 1 20 . 1 1 13 13 THR HA H 13 4.445 4.445 4.354 0.091 25495 7903 1 20 . 1 1 13 13 THR CA C 13 60.804 60.804 61.163 -0.359 25495 7904 1 20 . 1 1 13 13 THR CB C 13 71.151 71.151 70.710 0.441 25495 7905 1 20 . 1 1 13 13 THR H H 13 8.930 8.930 8.049 0.881 25495 7906 1 20 . 1 1 14 14 GLU N N 14 121.720 121.720 121.704 0.016 25495 7907 1 20 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.945 0.043 25495 7908 1 20 . 1 1 14 14 GLU CA C 14 59.958 59.958 59.814 0.144 25495 7909 1 20 . 1 1 14 14 GLU CB C 14 29.275 29.275 28.934 0.341 25495 7910 1 20 . 1 1 14 14 GLU H H 14 9.028 9.028 8.929 0.099 25495 7911 1 20 . 1 1 15 15 GLU N N 15 117.744 117.744 118.490 -0.746 25495 7912 1 20 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.092 -0.029 25495 7913 1 20 . 1 1 15 15 GLU CA C 15 60.335 60.335 58.710 1.625 25495 7914 1 20 . 1 1 15 15 GLU CB C 15 29.160 29.160 28.855 0.305 25495 7915 1 20 . 1 1 15 15 GLU H H 15 8.651 8.651 8.529 0.122 25495 7916 1 20 . 1 1 16 16 GLN N N 16 119.476 119.476 120.399 -0.923 25495 7917 1 20 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.203 -0.391 25495 7918 1 20 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.710 0.399 25495 7919 1 20 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.539 0.852 25495 7920 1 20 . 1 1 16 16 GLN H H 16 7.872 7.872 7.831 0.041 25495 7921 1 20 . 1 1 17 17 LYS N N 17 118.609 118.609 119.670 -1.061 25495 7922 1 20 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.198 -0.187 25495 7923 1 20 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.758 2.115 25495 7924 1 20 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.188 -0.039 25495 7925 1 20 . 1 1 17 17 LYS H H 17 8.572 8.572 8.347 0.225 25495 7926 1 20 . 1 1 18 18 ASN N N 18 117.908 117.908 118.420 -0.512 25495 7927 1 20 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.540 0.024 25495 7928 1 20 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.013 0.009 25495 7929 1 20 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.305 -0.421 25495 7930 1 20 . 1 1 18 18 ASN H H 18 8.581 8.581 7.901 0.680 25495 7931 1 20 . 1 1 19 19 GLU N N 19 123.446 123.446 120.514 2.932 25495 7932 1 20 . 1 1 19 19 GLU HA H 19 4.178 4.178 3.935 0.243 25495 7933 1 20 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.435 0.491 25495 7934 1 20 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.320 -0.316 25495 7935 1 20 . 1 1 19 19 GLU H H 19 7.993 7.993 7.996 -0.003 25495 7936 1 20 . 1 1 20 20 PHE N N 20 117.821 117.821 118.478 -0.657 25495 7937 1 20 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.410 0.512 25495 7938 1 20 . 1 1 20 20 PHE CA C 20 59.844 59.844 61.369 -1.525 25495 7939 1 20 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.753 -0.851 25495 7940 1 20 . 1 1 20 20 PHE H H 20 8.528 8.528 7.791 0.737 25495 7941 1 20 . 1 1 21 21 LYS N N 21 122.656 122.656 120.561 2.095 25495 7942 1 20 . 1 1 21 21 LYS HA H 21 4.029 4.029 4.268 -0.239 25495 7943 1 20 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.272 -0.577 25495 7944 1 20 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.134 -0.483 25495 7945 1 20 . 1 1 21 21 LYS H H 21 8.929 8.929 8.348 0.581 25495 7946 1 20 . 1 1 22 22 ALA N N 22 121.479 121.479 121.196 0.283 25495 7947 1 20 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.010 0.196 25495 7948 1 20 . 1 1 22 22 ALA CA C 22 55.100 55.100 55.295 -0.195 25495 7949 1 20 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.249 -0.383 25495 7950 1 20 . 1 1 22 22 ALA H H 22 7.799 7.799 8.082 -0.283 25495 7951 1 20 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.055 0.028 25495 7952 1 20 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.737 0.424 25495 7953 1 20 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.129 0.868 25495 7954 1 20 . 1 1 24 24 PHE N N 24 121.493 121.493 119.095 2.398 25495 7955 1 20 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.529 -0.056 25495 7956 1 20 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.434 0.992 25495 7957 1 20 . 1 1 24 24 PHE CB C 24 39.779 39.779 39.226 0.553 25495 7958 1 20 . 1 1 24 24 PHE H H 24 9.053 9.053 7.914 1.139 25495 7959 1 20 . 1 1 25 25 ASP N N 25 116.518 116.518 120.172 -3.654 25495 7960 1 20 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.334 -0.105 25495 7961 1 20 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.552 -0.527 25495 7962 1 20 . 1 1 25 25 ASP CB C 25 39.863 39.863 41.108 -1.245 25495 7963 1 20 . 1 1 25 25 ASP H H 25 8.512 8.512 8.197 0.315 25495 7964 1 20 . 1 1 26 26 ILE N N 26 119.213 119.213 119.264 -0.051 25495 7965 1 20 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.724 0.061 25495 7966 1 20 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.619 -0.931 25495 7967 1 20 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.161 -0.207 25495 7968 1 20 . 1 1 26 26 ILE H H 26 7.221 7.221 7.712 -0.491 25495 7969 1 20 . 1 1 27 27 PHE N N 27 123.265 123.265 118.167 5.098 25495 7970 1 20 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.139 0.599 25495 7971 1 20 . 1 1 27 27 PHE CA C 27 60.009 60.009 60.103 -0.094 25495 7972 1 20 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.457 1.853 25495 7973 1 20 . 1 1 27 27 PHE H H 27 8.287 8.287 8.288 -0.001 25495 7974 1 20 . 1 1 28 28 VAL N N 28 106.013 106.013 114.547 -8.534 25495 7975 1 20 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.168 -0.196 25495 7976 1 20 . 1 1 28 28 VAL CA C 28 61.298 61.298 60.995 0.303 25495 7977 1 20 . 1 1 28 28 VAL CB C 28 31.579 31.579 29.781 1.798 25495 7978 1 20 . 1 1 28 28 VAL H H 28 7.544 7.544 7.392 0.152 25495 7979 1 20 . 1 1 29 29 LEU N N 29 125.830 125.830 119.800 6.030 25495 7980 1 20 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.160 -0.084 25495 7981 1 20 . 1 1 29 29 LEU CA C 29 57.516 57.516 57.114 0.402 25495 7982 1 20 . 1 1 29 29 LEU CB C 29 41.577 41.577 41.129 0.448 25495 7983 1 20 . 1 1 29 29 LEU H H 29 7.240 7.240 7.713 -0.473 25495 7984 1 20 . 1 1 30 30 GLY N N 30 112.625 112.625 104.419 8.206 25495 7985 1 20 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.760 0.649 25495 7986 1 20 . 1 1 30 30 GLY H H 30 8.879 8.879 7.901 0.978 25495 7987 1 20 . 1 1 31 31 ALA N N 31 124.424 124.424 123.447 0.977 25495 7988 1 20 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.773 -0.322 25495 7989 1 20 . 1 1 31 31 ALA CA C 31 52.173 52.173 50.777 1.396 25495 7990 1 20 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.952 -0.095 25495 7991 1 20 . 1 1 31 31 ALA H H 31 8.077 8.077 7.394 0.683 25495 7992 1 20 . 1 1 32 32 GLU N N 32 125.293 125.293 123.866 1.427 25495 7993 1 20 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.023 0.063 25495 7994 1 20 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.895 0.213 25495 7995 1 20 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.611 0.215 25495 7996 1 20 . 1 1 32 32 GLU H H 32 9.216 9.216 9.053 0.163 25495 7997 1 20 . 1 1 33 33 ASP N N 33 115.502 115.502 117.443 -1.941 25495 7998 1 20 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.576 0.133 25495 7999 1 20 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.302 -1.310 25495 8000 1 20 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.202 0.876 25495 8001 1 20 . 1 1 33 33 ASP H H 33 8.177 8.177 8.153 0.024 25495 8002 1 20 . 1 1 34 34 GLY N N 34 105.896 105.896 108.204 -2.308 25495 8003 1 20 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.512 1.126 25495 8004 1 20 . 1 1 34 34 GLY H H 34 7.588 7.588 8.323 -0.735 25495 8005 1 20 . 1 1 35 35 CYS N N 35 114.179 114.179 117.526 -3.347 25495 8006 1 20 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.721 0.268 25495 8007 1 20 . 1 1 35 35 CYS CA C 35 57.668 57.668 56.770 0.898 25495 8008 1 20 . 1 1 35 35 CYS CB C 35 31.737 31.737 31.673 0.064 25495 8009 1 20 . 1 1 35 35 CYS H H 35 7.438 7.438 8.704 -1.266 25495 8010 1 20 . 1 1 36 36 ILE N N 36 119.578 119.578 121.819 -2.241 25495 8011 1 20 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.279 -0.573 25495 8012 1 20 . 1 1 36 36 ILE CA C 36 62.762 62.762 59.842 2.920 25495 8013 1 20 . 1 1 36 36 ILE CB C 36 39.786 39.786 36.365 3.421 25495 8014 1 20 . 1 1 36 36 ILE H H 36 8.847 8.847 8.320 0.527 25495 8015 1 20 . 1 1 37 37 SER N N 37 126.282 126.282 122.414 3.868 25495 8016 1 20 . 1 1 37 37 SER HA H 37 5.059 5.059 5.019 0.040 25495 8017 1 20 . 1 1 37 37 SER CA C 37 57.226 57.226 56.514 0.712 25495 8018 1 20 . 1 1 37 37 SER CB C 37 66.983 66.983 65.837 1.146 25495 8019 1 20 . 1 1 37 37 SER H H 37 9.462 9.462 8.780 0.682 25495 8020 1 20 . 1 1 38 38 THR N N 38 112.015 112.015 113.638 -1.623 25495 8021 1 20 . 1 1 38 38 THR HA H 38 3.730 3.730 4.127 -0.397 25495 8022 1 20 . 1 1 38 38 THR CA C 38 66.443 66.443 65.863 0.580 25495 8023 1 20 . 1 1 38 38 THR CB C 38 67.740 67.740 68.435 -0.695 25495 8024 1 20 . 1 1 38 38 THR H H 38 8.796 8.796 8.731 0.065 25495 8025 1 20 . 1 1 39 39 LYS N N 39 123.244 123.244 121.639 1.605 25495 8026 1 20 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.216 -0.156 25495 8027 1 20 . 1 1 39 39 LYS CA C 39 59.557 59.557 58.843 0.715 25495 8028 1 20 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.343 -0.103 25495 8029 1 20 . 1 1 39 39 LYS H H 39 8.050 8.050 7.745 0.305 25495 8030 1 20 . 1 1 40 40 GLU N N 40 119.359 119.359 120.576 -1.217 25495 8031 1 20 . 1 1 40 40 GLU HA H 40 4.198 4.198 3.982 0.216 25495 8032 1 20 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.273 1.493 25495 8033 1 20 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.219 0.695 25495 8034 1 20 . 1 1 40 40 GLU H H 40 7.750 7.750 7.615 0.135 25495 8035 1 20 . 1 1 41 41 LEU N N 41 119.256 119.256 119.861 -0.605 25495 8036 1 20 . 1 1 41 41 LEU HA H 41 4.198 4.198 3.992 0.206 25495 8037 1 20 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.707 0.177 25495 8038 1 20 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.909 0.669 25495 8039 1 20 . 1 1 41 41 LEU H H 41 8.349 8.349 8.270 0.079 25495 8040 1 20 . 1 1 42 42 GLY N N 42 106.053 106.053 106.693 -0.640 25495 8041 1 20 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.044 1.096 25495 8042 1 20 . 1 1 42 42 GLY H H 42 8.503 8.503 7.656 0.847 25495 8043 1 20 . 1 1 43 43 LYS N N 43 120.946 120.946 120.607 0.339 25495 8044 1 20 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.105 -0.098 25495 8045 1 20 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.465 1.496 25495 8046 1 20 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.666 -0.292 25495 8047 1 20 . 1 1 43 43 LYS H H 43 7.319 7.319 7.569 -0.250 25495 8048 1 20 . 1 1 44 44 VAL N N 44 119.639 119.639 121.488 -1.849 25495 8049 1 20 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.524 0.071 25495 8050 1 20 . 1 1 44 44 VAL CA C 44 66.306 66.306 65.963 0.342 25495 8051 1 20 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.255 0.537 25495 8052 1 20 . 1 1 44 44 VAL H H 44 7.570 7.570 7.604 -0.034 25495 8053 1 20 . 1 1 45 45 MET N N 45 116.846 116.846 117.711 -0.865 25495 8054 1 20 . 1 1 45 45 MET HA H 45 4.186 4.186 4.049 0.137 25495 8055 1 20 . 1 1 45 45 MET CA C 45 58.345 58.345 57.689 0.656 25495 8056 1 20 . 1 1 45 45 MET CB C 45 31.125 31.125 30.996 0.129 25495 8057 1 20 . 1 1 45 45 MET H H 45 8.438 8.438 8.184 0.254 25495 8058 1 20 . 1 1 46 46 ARG N N 46 118.762 118.762 119.354 -0.592 25495 8059 1 20 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.059 0.593 25495 8060 1 20 . 1 1 46 46 ARG CA C 46 59.351 59.351 58.665 0.686 25495 8061 1 20 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.773 0.281 25495 8062 1 20 . 1 1 46 46 ARG H H 46 8.114 8.114 7.658 0.456 25495 8063 1 20 . 1 1 47 47 MET N N 47 122.339 122.339 118.064 4.275 25495 8064 1 20 . 1 1 47 47 MET HA H 47 4.225 4.225 4.154 0.071 25495 8065 1 20 . 1 1 47 47 MET CA C 47 59.117 59.117 58.446 0.671 25495 8066 1 20 . 1 1 47 47 MET CB C 47 32.404 32.404 32.298 0.106 25495 8067 1 20 . 1 1 47 47 MET H H 47 7.889 7.889 8.103 -0.214 25495 8068 1 20 . 1 1 48 48 LEU N N 48 117.654 117.654 117.872 -0.218 25495 8069 1 20 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.179 0.229 25495 8070 1 20 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.765 -1.108 25495 8071 1 20 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.443 -0.664 25495 8072 1 20 . 1 1 48 48 LEU H H 48 7.516 7.516 7.656 -0.140 25495 8073 1 20 . 1 1 49 49 GLY N N 49 107.494 107.494 105.345 2.149 25495 8074 1 20 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.611 1.288 25495 8075 1 20 . 1 1 49 49 GLY H H 49 7.875 7.875 7.643 0.232 25495 8076 1 20 . 1 1 50 50 GLN N N 50 118.165 118.165 117.688 0.477 25495 8077 1 20 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.597 -0.093 25495 8078 1 20 . 1 1 50 50 GLN CA C 50 54.062 54.062 53.806 0.256 25495 8079 1 20 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.913 -0.817 25495 8080 1 20 . 1 1 50 50 GLN H H 50 8.025 8.025 7.832 0.193 25495 8081 1 20 . 1 1 51 51 ASN N N 51 116.752 116.752 119.532 -2.780 25495 8082 1 20 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.080 0.076 25495 8083 1 20 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.802 0.382 25495 8084 1 20 . 1 1 51 51 ASN CB C 51 39.252 39.252 39.384 -0.132 25495 8085 1 20 . 1 1 51 51 ASN H H 51 8.706 8.706 8.609 0.097 25495 8086 1 20 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.488 0.283 25495 8087 1 20 . 1 1 52 52 PRO CA C 52 62.223 62.223 63.216 -0.993 25495 8088 1 20 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.398 -0.382 25495 8089 1 20 . 1 1 53 53 THR N N 53 114.441 114.441 108.634 5.807 25495 8090 1 20 . 1 1 53 53 THR HA H 53 4.623 4.623 4.788 -0.165 25495 8091 1 20 . 1 1 53 53 THR CA C 53 60.314 60.314 58.621 1.693 25495 8092 1 20 . 1 1 53 53 THR CB C 53 68.422 68.422 70.000 -1.578 25495 8093 1 20 . 1 1 53 53 THR H H 53 8.899 8.899 8.149 0.750 25495 8094 1 20 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.222 -0.041 25495 8095 1 20 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.400 0.787 25495 8096 1 20 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.911 -0.143 25495 8097 1 20 . 1 1 55 55 GLU N N 55 117.303 117.303 117.841 -0.538 25495 8098 1 20 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.048 -0.023 25495 8099 1 20 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.431 1.079 25495 8100 1 20 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.663 0.103 25495 8101 1 20 . 1 1 55 55 GLU H H 55 8.751 8.751 8.997 -0.246 25495 8102 1 20 . 1 1 56 56 GLU N N 56 121.627 121.627 119.574 2.053 25495 8103 1 20 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.190 -0.193 25495 8104 1 20 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.228 0.972 25495 8105 1 20 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.350 0.699 25495 8106 1 20 . 1 1 56 56 GLU H H 56 7.813 7.813 7.732 0.081 25495 8107 1 20 . 1 1 57 57 LEU N N 57 118.921 118.921 121.367 -2.446 25495 8108 1 20 . 1 1 57 57 LEU HA H 57 4.032 4.032 3.996 0.036 25495 8109 1 20 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.914 -0.140 25495 8110 1 20 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.708 0.940 25495 8111 1 20 . 1 1 57 57 LEU H H 57 8.143 8.143 7.598 0.545 25495 8112 1 20 . 1 1 58 58 GLN N N 58 117.966 117.966 119.146 -1.180 25495 8113 1 20 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.929 -0.223 25495 8114 1 20 . 1 1 58 58 GLN CA C 58 58.237 58.237 59.189 -0.952 25495 8115 1 20 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.563 -0.080 25495 8116 1 20 . 1 1 58 58 GLN H H 58 8.001 8.001 8.108 -0.107 25495 8117 1 20 . 1 1 59 59 GLU N N 59 119.177 119.177 120.539 -1.362 25495 8118 1 20 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.010 0.031 25495 8119 1 20 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.479 0.159 25495 8120 1 20 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.509 -0.079 25495 8121 1 20 . 1 1 59 59 GLU H H 59 7.935 7.935 7.658 0.277 25495 8122 1 20 . 1 1 60 60 MET N N 60 117.654 117.654 117.880 -0.226 25495 8123 1 20 . 1 1 60 60 MET HA H 60 3.936 3.936 4.135 -0.199 25495 8124 1 20 . 1 1 60 60 MET CA C 60 59.488 59.488 59.695 -0.207 25495 8125 1 20 . 1 1 60 60 MET CB C 60 33.570 33.570 32.826 0.744 25495 8126 1 20 . 1 1 60 60 MET H H 60 7.640 7.640 7.873 -0.233 25495 8127 1 20 . 1 1 61 61 ILE N N 61 118.132 118.132 120.646 -2.514 25495 8128 1 20 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.634 -0.279 25495 8129 1 20 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.686 -1.295 25495 8130 1 20 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.502 -0.063 25495 8131 1 20 . 1 1 61 61 ILE H H 61 7.334 7.334 7.765 -0.431 25495 8132 1 20 . 1 1 62 62 ASP N N 62 119.480 119.480 120.190 -0.710 25495 8133 1 20 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.328 -0.054 25495 8134 1 20 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.375 0.049 25495 8135 1 20 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.688 -0.381 25495 8136 1 20 . 1 1 62 62 ASP H H 62 8.754 8.754 8.251 0.503 25495 8137 1 20 . 1 1 63 63 GLU N N 63 116.032 116.032 118.959 -2.927 25495 8138 1 20 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.109 -0.078 25495 8139 1 20 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.872 -0.054 25495 8140 1 20 . 1 1 63 63 GLU CB C 63 30.459 30.459 30.058 0.401 25495 8141 1 20 . 1 1 63 63 GLU H H 63 7.588 7.588 7.792 -0.204 25495 8142 1 20 . 1 1 64 64 VAL N N 64 107.386 107.386 116.966 -9.580 25495 8143 1 20 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.030 0.496 25495 8144 1 20 . 1 1 64 64 VAL CA C 64 60.594 60.594 63.157 -2.563 25495 8145 1 20 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.541 -0.180 25495 8146 1 20 . 1 1 64 64 VAL H H 64 7.222 7.222 7.496 -0.274 25495 8147 1 20 . 1 1 65 65 ASP N N 65 121.993 121.993 121.631 0.362 25495 8148 1 20 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.630 0.030 25495 8149 1 20 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.883 -1.413 25495 8150 1 20 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.124 -0.727 25495 8151 1 20 . 1 1 65 65 ASP H H 65 7.576 7.576 8.260 -0.684 25495 8152 1 20 . 1 1 66 66 GLU N N 66 128.234 128.234 123.147 5.087 25495 8153 1 20 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.226 -0.046 25495 8154 1 20 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.297 0.174 25495 8155 1 20 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.891 0.979 25495 8156 1 20 . 1 1 66 66 GLU H H 66 8.586 8.586 8.764 -0.178 25495 8157 1 20 . 1 1 67 67 ASP N N 67 114.535 114.535 116.976 -2.441 25495 8158 1 20 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.630 0.092 25495 8159 1 20 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.407 -0.979 25495 8160 1 20 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.260 0.077 25495 8161 1 20 . 1 1 67 67 ASP H H 67 7.969 7.969 8.124 -0.155 25495 8162 1 20 . 1 1 68 68 GLY N N 68 108.961 108.961 107.988 0.973 25495 8163 1 20 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.758 1.419 25495 8164 1 20 . 1 1 68 68 GLY H H 68 7.766 7.766 7.936 -0.170 25495 8165 1 20 . 1 1 69 69 SER N N 69 116.683 116.683 115.968 0.715 25495 8166 1 20 . 1 1 69 69 SER HA H 69 4.234 4.234 4.169 0.065 25495 8167 1 20 . 1 1 69 69 SER CA C 69 60.271 60.271 59.777 0.494 25495 8168 1 20 . 1 1 69 69 SER CB C 69 64.864 64.864 64.202 0.662 25495 8169 1 20 . 1 1 69 69 SER H H 69 8.469 8.469 8.844 -0.375 25495 8170 1 20 . 1 1 70 70 GLY N N 70 116.564 116.564 111.167 5.397 25495 8171 1 20 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.152 0.542 25495 8172 1 20 . 1 1 70 70 GLY H H 70 10.834 10.834 8.323 2.511 25495 8173 1 20 . 1 1 71 71 THR N N 71 107.543 107.543 111.372 -3.829 25495 8174 1 20 . 1 1 71 71 THR HA H 71 4.891 4.891 4.843 0.048 25495 8175 1 20 . 1 1 71 71 THR CA C 71 58.480 58.480 60.069 -1.589 25495 8176 1 20 . 1 1 71 71 THR CB C 71 73.920 73.920 72.835 1.085 25495 8177 1 20 . 1 1 71 71 THR H H 71 7.651 7.651 7.573 0.078 25495 8178 1 20 . 1 1 72 72 VAL N N 72 126.890 126.890 122.558 4.332 25495 8179 1 20 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.837 0.231 25495 8180 1 20 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.168 0.523 25495 8181 1 20 . 1 1 72 72 VAL CB C 72 33.970 33.970 34.554 -0.584 25495 8182 1 20 . 1 1 72 72 VAL H H 72 9.698 9.698 9.156 0.542 25495 8183 1 20 . 1 1 73 73 ASP N N 73 129.120 129.120 126.192 2.928 25495 8184 1 20 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.153 0.001 25495 8185 1 20 . 1 1 73 73 ASP CA C 73 52.448 52.448 53.582 -1.134 25495 8186 1 20 . 1 1 73 73 ASP CB C 73 41.552 41.552 42.666 -1.114 25495 8187 1 20 . 1 1 73 73 ASP H H 73 8.807 8.807 8.758 0.049 25495 8188 1 20 . 1 1 74 74 PHE N N 74 118.110 118.110 121.396 -3.286 25495 8189 1 20 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.902 -0.569 25495 8190 1 20 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.139 -0.486 25495 8191 1 20 . 1 1 74 74 PHE CB C 74 38.540 38.540 38.788 -0.247 25495 8192 1 20 . 1 1 74 74 PHE H H 74 8.511 8.511 8.958 -0.447 25495 8193 1 20 . 1 1 75 75 ASP N N 75 117.145 117.145 118.867 -1.722 25495 8194 1 20 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.091 -0.110 25495 8195 1 20 . 1 1 75 75 ASP CA C 75 58.004 58.004 58.013 -0.009 25495 8196 1 20 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.542 0.800 25495 8197 1 20 . 1 1 75 75 ASP H H 75 7.601 7.601 8.744 -1.143 25495 8198 1 20 . 1 1 76 76 GLU N N 76 120.605 120.605 120.320 0.285 25495 8199 1 20 . 1 1 76 76 GLU HA H 76 4.050 4.050 3.986 0.064 25495 8200 1 20 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.387 -1.057 25495 8201 1 20 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.430 0.665 25495 8202 1 20 . 1 1 76 76 GLU H H 76 8.235 8.235 8.501 -0.266 25495 8203 1 20 . 1 1 77 77 PHE N N 77 123.122 123.122 121.981 1.141 25495 8204 1 20 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.271 -0.296 25495 8205 1 20 . 1 1 77 77 PHE CA C 77 60.508 60.508 60.317 0.191 25495 8206 1 20 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.106 0.457 25495 8207 1 20 . 1 1 77 77 PHE H H 77 8.983 8.983 8.798 0.185 25495 8208 1 20 . 1 1 78 78 LEU N N 78 118.537 118.537 119.364 -0.827 25495 8209 1 20 . 1 1 78 78 LEU HA H 78 3.289 3.289 2.980 0.309 25495 8210 1 20 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.783 0.326 25495 8211 1 20 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.165 0.315 25495 8212 1 20 . 1 1 78 78 LEU H H 78 7.842 7.842 7.985 -0.143 25495 8213 1 20 . 1 1 79 79 VAL N N 79 117.650 117.650 120.009 -2.359 25495 8214 1 20 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.623 -0.352 25495 8215 1 20 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.391 0.044 25495 8216 1 20 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.362 -0.348 25495 8217 1 20 . 1 1 79 79 VAL H H 79 6.834 6.834 7.828 -0.994 25495 8218 1 20 . 1 1 80 80 MET N N 80 120.117 120.117 118.616 1.501 25495 8219 1 20 . 1 1 80 80 MET HA H 80 3.550 3.550 4.050 -0.500 25495 8220 1 20 . 1 1 80 80 MET CA C 80 59.506 59.506 59.121 0.385 25495 8221 1 20 . 1 1 80 80 MET CB C 80 34.002 34.002 32.475 1.527 25495 8222 1 20 . 1 1 80 80 MET H H 80 7.990 7.990 8.279 -0.289 25495 8223 1 20 . 1 1 81 81 MET N N 81 116.622 116.622 120.003 -3.381 25495 8224 1 20 . 1 1 81 81 MET HA H 81 4.074 4.074 4.159 -0.085 25495 8225 1 20 . 1 1 81 81 MET CA C 81 56.657 56.657 58.212 -1.555 25495 8226 1 20 . 1 1 81 81 MET CB C 81 32.334 32.334 31.349 0.985 25495 8227 1 20 . 1 1 81 81 MET H H 81 8.148 8.148 7.621 0.527 25495 8228 1 20 . 1 1 82 82 VAL N N 82 117.651 117.651 119.454 -1.803 25495 8229 1 20 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.462 0.472 25495 8230 1 20 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.465 -0.288 25495 8231 1 20 . 1 1 82 82 VAL CB C 82 31.243 31.243 30.815 0.428 25495 8232 1 20 . 1 1 82 82 VAL H H 82 8.082 8.082 8.070 0.012 25495 8233 1 20 . 1 1 83 83 ARG N N 83 120.226 120.226 119.847 0.379 25495 8234 1 20 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.042 -0.221 25495 8235 1 20 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.825 -0.235 25495 8236 1 20 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.047 -0.065 25495 8237 1 20 . 1 1 83 83 ARG H H 83 8.086 8.086 8.075 0.011 25495 8238 1 20 . 1 1 84 84 CYS N N 84 115.892 115.892 117.860 -1.968 25495 8239 1 20 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.204 0.230 25495 8240 1 20 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.960 -1.423 25495 8241 1 20 . 1 1 84 84 CYS CB C 84 27.440 27.440 26.585 0.855 25495 8242 1 20 . 1 1 84 84 CYS H H 84 7.754 7.754 8.059 -0.305 25495 8243 1 20 . 1 1 85 85 MET HA H 85 4.416 4.416 4.214 0.202 25495 8244 1 20 . 1 1 85 85 MET CA C 85 57.720 57.720 58.055 -0.335 25495 8245 1 20 . 1 1 85 85 MET CB C 85 34.275 34.275 32.339 1.936 25495 8246 1 20 . 1 1 86 86 LYS N N 86 119.961 119.961 116.993 2.968 25495 8247 1 20 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.284 0.064 25495 8248 1 20 . 1 1 86 86 LYS CA C 86 56.728 56.728 56.482 0.246 25495 8249 1 20 . 1 1 86 86 LYS CB C 86 33.369 33.369 33.177 0.192 25495 8250 1 20 . 1 1 86 86 LYS H H 86 7.886 7.886 7.969 -0.083 25495 8251 1 20 . 1 1 87 87 ASP N N 87 121.700 121.700 120.257 1.443 25495 8252 1 20 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.370 0.351 25495 8253 1 20 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.262 -0.680 25495 8254 1 20 . 1 1 87 87 ASP CB C 87 41.302 41.302 39.687 1.615 25495 8255 1 20 . 1 1 87 87 ASP H H 87 8.219 8.219 8.584 -0.365 25495 8256 1 20 . 1 1 88 88 ASP N N 88 121.739 121.739 120.404 1.335 25495 8257 1 20 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.845 -0.113 25495 8258 1 20 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.982 0.272 25495 8259 1 20 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.368 0.980 25495 8260 1 20 . 1 1 88 88 ASP H H 88 8.256 8.256 8.331 -0.075 25495 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 82 2.932 0.090 2.948 25495 2 1 1 "Average Difference" HA 93 0.236 -0.063 0.229 25495 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25495 4 1 1 "Average Difference" CA 87 1.041 0.173 1.032 25495 5 1 1 "Average Difference" CB 81 0.812 -0.271 0.771 25495 6 1 1 "Average Difference" HN 82 0.528 -0.063 0.528 25495 7 1 2 "Average Difference" N 82 2.854 0.013 2.871 25495 8 1 2 "Average Difference" HA 93 0.277 -0.035 0.276 25495 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25495 10 1 2 "Average Difference" CA 87 0.985 0.047 0.989 25495 11 1 2 "Average Difference" CB 81 0.727 -0.278 0.676 25495 12 1 2 "Average Difference" HN 82 0.503 -0.060 0.503 25495 13 1 3 "Average Difference" N 82 2.830 0.033 2.847 25495 14 1 3 "Average Difference" HA 93 0.277 -0.056 0.273 25495 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25495 16 1 3 "Average Difference" CA 87 0.956 0.005 0.961 25495 17 1 3 "Average Difference" CB 81 0.894 -0.287 0.852 25495 18 1 3 "Average Difference" HN 82 0.528 -0.066 0.527 25495 19 1 4 "Average Difference" N 82 2.848 0.057 2.865 25495 20 1 4 "Average Difference" HA 93 0.233 -0.032 0.232 25495 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25495 22 1 4 "Average Difference" CA 87 1.015 -0.020 1.020 25495 23 1 4 "Average Difference" CB 81 0.938 -0.349 0.877 25495 24 1 4 "Average Difference" HN 82 0.452 -0.021 0.454 25495 25 1 5 "Average Difference" N 82 2.679 -0.075 2.695 25495 26 1 5 "Average Difference" HA 93 0.260 -0.039 0.258 25495 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25495 28 1 5 "Average Difference" CA 87 0.979 0.045 0.983 25495 29 1 5 "Average Difference" CB 81 0.746 -0.253 0.707 25495 30 1 5 "Average Difference" HN 82 0.515 -0.018 0.518 25495 31 1 6 "Average Difference" N 82 2.810 0.081 2.826 25495 32 1 6 "Average Difference" HA 93 0.242 -0.036 0.240 25495 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25495 34 1 6 "Average Difference" CA 87 0.956 0.039 0.961 25495 35 1 6 "Average Difference" CB 81 0.788 -0.345 0.713 25495 36 1 6 "Average Difference" HN 82 0.469 -0.026 0.471 25495 37 1 7 "Average Difference" N 82 2.734 0.135 2.748 25495 38 1 7 "Average Difference" HA 93 0.283 -0.040 0.281 25495 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25495 40 1 7 "Average Difference" CA 87 0.985 0.002 0.991 25495 41 1 7 "Average Difference" CB 81 0.694 -0.233 0.658 25495 42 1 7 "Average Difference" HN 82 0.484 -0.024 0.486 25495 43 1 8 "Average Difference" N 82 2.869 0.000 2.887 25495 44 1 8 "Average Difference" HA 93 0.255 -0.034 0.254 25495 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25495 46 1 8 "Average Difference" CA 87 1.080 0.018 1.086 25495 47 1 8 "Average Difference" CB 81 0.784 -0.303 0.728 25495 48 1 8 "Average Difference" HN 82 0.543 -0.077 0.541 25495 49 1 9 "Average Difference" N 82 2.859 -0.000 2.877 25495 50 1 9 "Average Difference" HA 93 0.235 -0.045 0.232 25495 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25495 52 1 9 "Average Difference" CA 87 0.919 0.124 0.916 25495 53 1 9 "Average Difference" CB 81 0.848 -0.275 0.807 25495 54 1 9 "Average Difference" HN 82 0.496 -0.045 0.497 25495 55 1 10 "Average Difference" N 82 2.656 -0.003 2.672 25495 56 1 10 "Average Difference" HA 93 0.243 -0.027 0.243 25495 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25495 58 1 10 "Average Difference" CA 87 1.043 -0.026 1.049 25495 59 1 10 "Average Difference" CB 81 0.846 -0.290 0.800 25495 60 1 10 "Average Difference" HN 82 0.508 -0.082 0.504 25495 61 1 11 "Average Difference" N 82 2.886 -0.000 2.903 25495 62 1 11 "Average Difference" HA 93 0.238 -0.042 0.236 25495 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25495 64 1 11 "Average Difference" CA 87 1.025 0.070 1.029 25495 65 1 11 "Average Difference" CB 81 0.814 -0.225 0.787 25495 66 1 11 "Average Difference" HN 82 0.512 -0.025 0.515 25495 67 1 12 "Average Difference" N 82 2.734 0.028 2.750 25495 68 1 12 "Average Difference" HA 93 0.250 -0.027 0.250 25495 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25495 70 1 12 "Average Difference" CA 87 1.008 0.041 1.013 25495 71 1 12 "Average Difference" CB 81 0.810 -0.277 0.766 25495 72 1 12 "Average Difference" HN 82 0.550 -0.104 0.544 25495 73 1 13 "Average Difference" N 82 3.085 0.043 3.104 25495 74 1 13 "Average Difference" HA 93 0.295 -0.045 0.293 25495 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25495 76 1 13 "Average Difference" CA 87 0.964 -0.063 0.968 25495 77 1 13 "Average Difference" CB 81 0.846 -0.339 0.780 25495 78 1 13 "Average Difference" HN 82 0.584 -0.064 0.584 25495 79 1 14 "Average Difference" N 82 2.475 0.105 2.488 25495 80 1 14 "Average Difference" HA 93 0.241 -0.043 0.239 25495 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25495 82 1 14 "Average Difference" CA 87 0.837 -0.049 0.840 25495 83 1 14 "Average Difference" CB 81 0.794 -0.327 0.728 25495 84 1 14 "Average Difference" HN 82 0.438 -0.068 0.436 25495 85 1 15 "Average Difference" N 82 2.521 -0.009 2.536 25495 86 1 15 "Average Difference" HA 93 0.266 -0.036 0.265 25495 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25495 88 1 15 "Average Difference" CA 87 0.899 -0.058 0.902 25495 89 1 15 "Average Difference" CB 81 0.817 -0.259 0.779 25495 90 1 15 "Average Difference" HN 82 0.481 -0.100 0.474 25495 91 1 16 "Average Difference" N 82 2.959 -0.001 2.977 25495 92 1 16 "Average Difference" HA 93 0.297 -0.056 0.293 25495 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25495 94 1 16 "Average Difference" CA 87 1.047 0.065 1.052 25495 95 1 16 "Average Difference" CB 81 0.818 -0.285 0.771 25495 96 1 16 "Average Difference" HN 82 0.570 -0.125 0.560 25495 97 1 17 "Average Difference" N 82 2.915 0.073 2.932 25495 98 1 17 "Average Difference" HA 93 0.266 -0.041 0.264 25495 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25495 100 1 17 "Average Difference" CA 87 0.977 0.086 0.979 25495 101 1 17 "Average Difference" CB 81 0.873 -0.210 0.853 25495 102 1 17 "Average Difference" HN 82 0.529 -0.086 0.525 25495 103 1 18 "Average Difference" N 82 2.994 -0.120 3.010 25495 104 1 18 "Average Difference" HA 93 0.279 -0.052 0.276 25495 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25495 106 1 18 "Average Difference" CA 87 1.072 -0.069 1.076 25495 107 1 18 "Average Difference" CB 81 0.794 -0.285 0.745 25495 108 1 18 "Average Difference" HN 82 0.556 -0.128 0.544 25495 109 1 19 "Average Difference" N 82 2.679 -0.229 2.685 25495 110 1 19 "Average Difference" HA 93 0.290 -0.030 0.290 25495 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25495 112 1 19 "Average Difference" CA 87 0.912 -0.109 0.911 25495 113 1 19 "Average Difference" CB 81 0.845 -0.255 0.811 25495 114 1 19 "Average Difference" HN 82 0.492 -0.054 0.492 25495 115 1 20 "Average Difference" N 82 2.878 -0.010 2.896 25495 116 1 20 "Average Difference" HA 93 0.252 -0.045 0.249 25495 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25495 118 1 20 "Average Difference" CA 87 0.952 -0.072 0.955 25495 119 1 20 "Average Difference" CB 81 0.835 -0.280 0.792 25495 120 1 20 "Average Difference" HN 82 0.530 -0.055 0.530 25495 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 25495 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.656 4.656 4.605 0.051 25495 2 1 . 1 1 2 2 ASP CA C 2 54.796 54.796 55.536 -0.740 25495 3 1 . 1 1 2 2 ASP CB C 2 41.624 41.624 40.649 0.975 25495 4 1 . 1 1 3 3 ASP N N 3 122.846 122.846 120.610 2.236 25495 5 1 . 1 1 3 3 ASP HA H 3 4.489 4.489 4.442 0.047 25495 6 1 . 1 1 3 3 ASP CA C 3 55.825 55.825 56.640 -0.815 25495 7 1 . 1 1 3 3 ASP CB C 3 41.421 41.421 40.443 0.978 25495 8 1 . 1 1 3 3 ASP H H 3 8.509 8.509 8.613 -0.104 25495 9 1 . 1 1 4 4 ILE N N 4 119.356 119.356 119.744 -0.388 25495 10 1 . 1 1 4 4 ILE HA H 4 3.916 3.916 3.728 0.188 25495 11 1 . 1 1 4 4 ILE CA C 4 63.695 63.695 64.189 -0.494 25495 12 1 . 1 1 4 4 ILE CB C 4 37.856 37.856 37.493 0.363 25495 13 1 . 1 1 4 4 ILE H H 4 8.227 8.227 7.807 0.420 25495 14 1 . 1 1 5 5 TYR N N 5 121.143 121.143 119.907 1.236 25495 15 1 . 1 1 5 5 TYR HA H 5 4.411 4.411 4.004 0.407 25495 16 1 . 1 1 5 5 TYR CA C 5 60.139 60.139 62.093 -1.954 25495 17 1 . 1 1 5 5 TYR CB C 5 37.788 37.788 38.018 -0.230 25495 18 1 . 1 1 5 5 TYR H H 5 7.639 7.639 7.921 -0.282 25495 19 1 . 1 1 6 6 LYS N N 6 120.843 120.843 119.372 1.471 25495 20 1 . 1 1 6 6 LYS HA H 6 3.989 3.989 3.839 0.150 25495 21 1 . 1 1 6 6 LYS CA C 6 59.578 59.578 59.479 0.100 25495 22 1 . 1 1 6 6 LYS CB C 6 32.319 32.319 32.214 0.105 25495 23 1 . 1 1 6 6 LYS H H 6 7.929 7.929 8.103 -0.174 25495 24 1 . 1 1 7 7 ALA N N 7 120.497 120.497 121.189 -0.692 25495 25 1 . 1 1 7 7 ALA HA H 7 4.144 4.144 4.102 0.042 25495 26 1 . 1 1 7 7 ALA CA C 7 54.651 54.651 54.849 -0.198 25495 27 1 . 1 1 7 7 ALA CB C 7 17.978 17.978 18.156 -0.178 25495 28 1 . 1 1 7 7 ALA H H 7 7.934 7.934 8.047 -0.113 25495 29 1 . 1 1 8 8 ALA N N 8 119.953 119.953 121.725 -1.772 25495 30 1 . 1 1 8 8 ALA HA H 8 4.182 4.182 3.996 0.186 25495 31 1 . 1 1 8 8 ALA CA C 8 54.675 54.675 54.875 -0.200 25495 32 1 . 1 1 8 8 ALA CB C 8 18.473 18.473 18.218 0.255 25495 33 1 . 1 1 8 8 ALA H H 8 7.479 7.479 8.014 -0.535 25495 34 1 . 1 1 9 9 VAL N N 9 119.227 119.227 118.069 1.158 25495 35 1 . 1 1 9 9 VAL HA H 9 3.561 3.561 3.513 0.048 25495 36 1 . 1 1 9 9 VAL CA C 9 66.248 66.248 66.455 -0.207 25495 37 1 . 1 1 9 9 VAL CB C 9 32.064 32.064 31.459 0.605 25495 38 1 . 1 1 9 9 VAL H H 9 8.030 8.030 7.839 0.191 25495 39 1 . 1 1 10 10 GLU N N 10 118.451 118.451 118.210 0.241 25495 40 1 . 1 1 10 10 GLU HA H 10 4.117 4.117 4.028 0.089 25495 41 1 . 1 1 10 10 GLU CA C 10 58.360 58.360 58.600 -0.240 25495 42 1 . 1 1 10 10 GLU CB C 10 29.549 29.549 29.584 -0.035 25495 43 1 . 1 1 10 10 GLU H H 10 7.763 7.763 7.861 -0.098 25495 44 1 . 1 1 11 11 GLN N N 11 114.938 114.938 117.703 -2.765 25495 45 1 . 1 1 11 11 GLN HA H 11 4.306 4.306 4.109 0.197 25495 46 1 . 1 1 11 11 GLN CA C 11 55.612 55.612 56.960 -1.348 25495 47 1 . 1 1 11 11 GLN CB C 11 29.388 29.388 29.108 0.280 25495 48 1 . 1 1 11 11 GLN H H 11 7.405 7.405 7.900 -0.495 25495 49 1 . 1 1 12 12 LEU N N 12 120.828 120.828 119.947 0.881 25495 50 1 . 1 1 12 12 LEU HA H 12 4.531 4.531 4.118 0.413 25495 51 1 . 1 1 12 12 LEU CA C 12 55.320 55.320 55.702 -0.382 25495 52 1 . 1 1 12 12 LEU CB C 12 43.126 43.126 42.112 1.014 25495 53 1 . 1 1 12 12 LEU H H 12 7.385 7.385 7.451 -0.066 25495 54 1 . 1 1 13 13 THR N N 13 113.928 113.928 113.577 0.351 25495 55 1 . 1 1 13 13 THR HA H 13 4.445 4.445 4.404 0.041 25495 56 1 . 1 1 13 13 THR CA C 13 60.804 60.804 60.836 -0.032 25495 57 1 . 1 1 13 13 THR CB C 13 71.151 71.151 70.347 0.804 25495 58 1 . 1 1 13 13 THR H H 13 8.930 8.930 8.183 0.747 25495 59 1 . 1 1 14 14 GLU N N 14 121.720 121.720 121.584 0.136 25495 60 1 . 1 1 14 14 GLU HA H 14 3.988 3.988 3.979 0.009 25495 61 1 . 1 1 14 14 GLU CA C 14 59.958 59.958 60.234 -0.276 25495 62 1 . 1 1 14 14 GLU CB C 14 29.275 29.275 29.190 0.085 25495 63 1 . 1 1 14 14 GLU H H 14 9.028 9.028 8.956 0.072 25495 64 1 . 1 1 15 15 GLU N N 15 117.744 117.744 119.048 -1.304 25495 65 1 . 1 1 15 15 GLU HA H 15 4.063 4.063 4.077 -0.014 25495 66 1 . 1 1 15 15 GLU CA C 15 60.335 60.335 59.397 0.938 25495 67 1 . 1 1 15 15 GLU CB C 15 29.160 29.160 29.140 0.020 25495 68 1 . 1 1 15 15 GLU H H 15 8.651 8.651 8.575 0.076 25495 69 1 . 1 1 16 16 GLN N N 16 119.476 119.476 118.710 0.766 25495 70 1 . 1 1 16 16 GLN HA H 16 3.812 3.812 4.104 -0.293 25495 71 1 . 1 1 16 16 GLN CA C 16 59.109 59.109 58.611 0.498 25495 72 1 . 1 1 16 16 GLN CB C 16 29.391 29.391 28.528 0.863 25495 73 1 . 1 1 16 16 GLN H H 16 7.872 7.872 7.701 0.171 25495 74 1 . 1 1 17 17 LYS N N 17 118.609 118.609 119.541 -0.932 25495 75 1 . 1 1 17 17 LYS HA H 17 4.011 4.011 4.110 -0.099 25495 76 1 . 1 1 17 17 LYS CA C 17 61.873 61.873 59.654 2.219 25495 77 1 . 1 1 17 17 LYS CB C 17 32.149 32.149 32.113 0.036 25495 78 1 . 1 1 17 17 LYS H H 17 8.572 8.572 8.106 0.466 25495 79 1 . 1 1 18 18 ASN N N 18 117.908 117.908 118.747 -0.839 25495 80 1 . 1 1 18 18 ASN HA H 18 4.564 4.564 4.509 0.055 25495 81 1 . 1 1 18 18 ASN CA C 18 56.022 56.022 56.363 -0.341 25495 82 1 . 1 1 18 18 ASN CB C 18 37.884 37.884 38.346 -0.462 25495 83 1 . 1 1 18 18 ASN H H 18 8.581 8.581 8.278 0.303 25495 84 1 . 1 1 19 19 GLU N N 19 123.446 123.446 120.380 3.066 25495 85 1 . 1 1 19 19 GLU HA H 19 4.178 4.178 4.063 0.115 25495 86 1 . 1 1 19 19 GLU CA C 19 59.926 59.926 59.292 0.634 25495 87 1 . 1 1 19 19 GLU CB C 19 29.004 29.004 29.392 -0.388 25495 88 1 . 1 1 19 19 GLU H H 19 7.993 7.993 8.073 -0.080 25495 89 1 . 1 1 20 20 PHE N N 20 117.821 117.821 120.184 -2.363 25495 90 1 . 1 1 20 20 PHE HA H 20 4.922 4.922 4.399 0.523 25495 91 1 . 1 1 20 20 PHE CA C 20 59.844 59.844 60.669 -0.825 25495 92 1 . 1 1 20 20 PHE CB C 20 37.902 37.902 38.799 -0.897 25495 93 1 . 1 1 20 20 PHE H H 20 8.528 8.528 8.103 0.425 25495 94 1 . 1 1 21 21 LYS N N 21 122.656 122.656 120.042 2.614 25495 95 1 . 1 1 21 21 LYS HA H 21 4.029 4.029 3.687 0.342 25495 96 1 . 1 1 21 21 LYS CA C 21 58.695 58.695 59.570 -0.875 25495 97 1 . 1 1 21 21 LYS CB C 21 31.651 31.651 32.267 -0.616 25495 98 1 . 1 1 21 21 LYS H H 21 8.929 8.929 8.294 0.635 25495 99 1 . 1 1 22 22 ALA N N 22 121.479 121.479 121.162 0.317 25495 100 1 . 1 1 22 22 ALA HA H 22 4.206 4.206 4.125 0.081 25495 101 1 . 1 1 22 22 ALA CA C 22 55.100 55.100 54.983 0.117 25495 102 1 . 1 1 22 22 ALA CB C 22 17.866 17.866 18.212 -0.346 25495 103 1 . 1 1 22 22 ALA H H 22 7.799 7.799 7.847 -0.048 25495 104 1 . 1 1 23 23 ALA HA H 23 4.083 4.083 4.102 -0.019 25495 105 1 . 1 1 23 23 ALA CA C 23 55.161 55.161 54.853 0.308 25495 106 1 . 1 1 23 23 ALA CB C 23 18.997 18.997 18.330 0.667 25495 107 1 . 1 1 24 24 PHE N N 24 121.493 121.493 119.063 2.430 25495 108 1 . 1 1 24 24 PHE HA H 24 3.473 3.473 3.654 -0.181 25495 109 1 . 1 1 24 24 PHE CA C 24 62.426 62.426 61.475 0.951 25495 110 1 . 1 1 24 24 PHE CB C 24 39.779 39.779 38.938 0.841 25495 111 1 . 1 1 24 24 PHE H H 24 9.053 9.053 8.134 0.919 25495 112 1 . 1 1 25 25 ASP N N 25 116.518 116.518 119.191 -2.673 25495 113 1 . 1 1 25 25 ASP HA H 25 4.229 4.229 4.305 -0.076 25495 114 1 . 1 1 25 25 ASP CA C 25 57.025 57.025 57.415 -0.390 25495 115 1 . 1 1 25 25 ASP CB C 25 39.863 39.863 40.692 -0.829 25495 116 1 . 1 1 25 25 ASP H H 25 8.512 8.512 8.065 0.447 25495 117 1 . 1 1 26 26 ILE N N 26 119.213 119.213 118.660 0.553 25495 118 1 . 1 1 26 26 ILE HA H 26 3.785 3.785 3.720 0.065 25495 119 1 . 1 1 26 26 ILE CA C 26 63.688 63.688 64.346 -0.658 25495 120 1 . 1 1 26 26 ILE CB C 26 37.954 37.954 38.131 -0.177 25495 121 1 . 1 1 26 26 ILE H H 26 7.221 7.221 7.495 -0.274 25495 122 1 . 1 1 27 27 PHE N N 27 123.265 123.265 119.598 3.667 25495 123 1 . 1 1 27 27 PHE HA H 27 4.738 4.738 4.085 0.653 25495 124 1 . 1 1 27 27 PHE CA C 27 60.009 60.009 61.269 -1.260 25495 125 1 . 1 1 27 27 PHE CB C 27 40.310 40.310 38.889 1.421 25495 126 1 . 1 1 27 27 PHE H H 27 8.287 8.287 8.207 0.080 25495 127 1 . 1 1 28 28 VAL N N 28 106.013 106.013 114.349 -8.336 25495 128 1 . 1 1 28 28 VAL HA H 28 3.973 3.973 4.071 -0.098 25495 129 1 . 1 1 28 28 VAL CA C 28 61.298 61.298 61.727 -0.429 25495 130 1 . 1 1 28 28 VAL CB C 28 31.579 31.579 30.027 1.552 25495 131 1 . 1 1 28 28 VAL H H 28 7.544 7.544 7.519 0.025 25495 132 1 . 1 1 29 29 LEU N N 29 125.830 125.830 119.440 6.390 25495 133 1 . 1 1 29 29 LEU HA H 29 4.076 4.076 4.194 -0.119 25495 134 1 . 1 1 29 29 LEU CA C 29 57.516 57.516 56.779 0.737 25495 135 1 . 1 1 29 29 LEU CB C 29 41.577 41.577 40.569 1.008 25495 136 1 . 1 1 29 29 LEU H H 29 7.240 7.240 7.674 -0.434 25495 137 1 . 1 1 30 30 GLY N N 30 112.625 112.625 105.366 7.259 25495 138 1 . 1 1 30 30 GLY CA C 30 45.409 45.409 44.617 0.792 25495 139 1 . 1 1 30 30 GLY H H 30 8.879 8.879 8.043 0.836 25495 140 1 . 1 1 31 31 ALA N N 31 124.424 124.424 123.684 0.740 25495 141 1 . 1 1 31 31 ALA HA H 31 4.451 4.451 4.565 -0.114 25495 142 1 . 1 1 31 31 ALA CA C 31 52.173 52.173 51.251 0.922 25495 143 1 . 1 1 31 31 ALA CB C 31 19.857 19.857 19.621 0.236 25495 144 1 . 1 1 31 31 ALA H H 31 8.077 8.077 7.853 0.225 25495 145 1 . 1 1 32 32 GLU N N 32 125.293 125.293 123.449 1.844 25495 146 1 . 1 1 32 32 GLU HA H 32 4.086 4.086 4.061 0.025 25495 147 1 . 1 1 32 32 GLU CA C 32 59.108 59.108 58.704 0.404 25495 148 1 . 1 1 32 32 GLU CB C 32 29.826 29.826 29.552 0.274 25495 149 1 . 1 1 32 32 GLU H H 32 9.216 9.216 8.785 0.431 25495 150 1 . 1 1 33 33 ASP N N 33 115.502 115.502 117.823 -2.321 25495 151 1 . 1 1 33 33 ASP HA H 33 4.709 4.709 4.588 0.121 25495 152 1 . 1 1 33 33 ASP CA C 33 52.992 52.992 54.280 -1.288 25495 153 1 . 1 1 33 33 ASP CB C 33 41.078 41.078 40.510 0.568 25495 154 1 . 1 1 33 33 ASP H H 33 8.177 8.177 8.145 0.032 25495 155 1 . 1 1 34 34 GLY N N 34 105.896 105.896 107.589 -1.693 25495 156 1 . 1 1 34 34 GLY CA C 34 46.638 46.638 45.502 1.136 25495 157 1 . 1 1 34 34 GLY H H 34 7.588 7.588 8.017 -0.429 25495 158 1 . 1 1 35 35 CYS N N 35 114.179 114.179 117.687 -3.508 25495 159 1 . 1 1 35 35 CYS HA H 35 4.989 4.989 4.822 0.167 25495 160 1 . 1 1 35 35 CYS CA C 35 57.668 57.668 57.259 0.409 25495 161 1 . 1 1 35 35 CYS CB C 35 31.737 31.737 30.701 1.036 25495 162 1 . 1 1 35 35 CYS H H 35 7.438 7.438 7.762 -0.324 25495 163 1 . 1 1 36 36 ILE N N 36 119.578 119.578 124.040 -4.462 25495 164 1 . 1 1 36 36 ILE HA H 36 3.706 3.706 4.303 -0.597 25495 165 1 . 1 1 36 36 ILE CA C 36 62.762 62.762 60.898 1.864 25495 166 1 . 1 1 36 36 ILE CB C 36 39.786 39.786 38.220 1.566 25495 167 1 . 1 1 36 36 ILE H H 36 8.847 8.847 8.323 0.524 25495 168 1 . 1 1 37 37 SER N N 37 126.282 126.282 121.820 4.462 25495 169 1 . 1 1 37 37 SER HA H 37 5.059 5.059 5.068 -0.009 25495 170 1 . 1 1 37 37 SER CA C 37 57.226 57.226 56.343 0.883 25495 171 1 . 1 1 37 37 SER CB C 37 66.983 66.983 65.778 1.206 25495 172 1 . 1 1 37 37 SER H H 37 9.462 9.462 8.753 0.709 25495 173 1 . 1 1 38 38 THR N N 38 112.015 112.015 114.565 -2.550 25495 174 1 . 1 1 38 38 THR HA H 38 3.730 3.730 4.069 -0.340 25495 175 1 . 1 1 38 38 THR CA C 38 66.443 66.443 65.889 0.554 25495 176 1 . 1 1 38 38 THR CB C 38 67.740 67.740 68.494 -0.754 25495 177 1 . 1 1 38 38 THR H H 38 8.796 8.796 8.827 -0.031 25495 178 1 . 1 1 39 39 LYS N N 39 123.244 123.244 121.500 1.744 25495 179 1 . 1 1 39 39 LYS HA H 39 4.060 4.060 4.056 0.004 25495 180 1 . 1 1 39 39 LYS CA C 39 59.557 59.557 59.548 0.009 25495 181 1 . 1 1 39 39 LYS CB C 39 32.240 32.240 32.078 0.162 25495 182 1 . 1 1 39 39 LYS H H 39 8.050 8.050 7.964 0.086 25495 183 1 . 1 1 40 40 GLU N N 40 119.359 119.359 119.527 -0.168 25495 184 1 . 1 1 40 40 GLU HA H 40 4.198 4.198 4.086 0.112 25495 185 1 . 1 1 40 40 GLU CA C 40 60.766 60.766 59.078 1.688 25495 186 1 . 1 1 40 40 GLU CB C 40 29.914 29.914 29.295 0.619 25495 187 1 . 1 1 40 40 GLU H H 40 7.750 7.750 7.874 -0.124 25495 188 1 . 1 1 41 41 LEU N N 41 119.256 119.256 120.308 -1.052 25495 189 1 . 1 1 41 41 LEU HA H 41 4.198 4.198 4.126 0.072 25495 190 1 . 1 1 41 41 LEU CA C 41 57.884 57.884 57.658 0.226 25495 191 1 . 1 1 41 41 LEU CB C 41 42.578 42.578 41.648 0.930 25495 192 1 . 1 1 41 41 LEU H H 41 8.349 8.349 8.335 0.014 25495 193 1 . 1 1 42 42 GLY N N 42 106.053 106.053 106.896 -0.843 25495 194 1 . 1 1 42 42 GLY CA C 42 48.140 48.140 47.244 0.896 25495 195 1 . 1 1 42 42 GLY H H 42 8.503 8.503 8.280 0.223 25495 196 1 . 1 1 43 43 LYS N N 43 120.946 120.946 122.102 -1.156 25495 197 1 . 1 1 43 43 LYS HA H 43 4.007 4.007 4.077 -0.070 25495 198 1 . 1 1 43 43 LYS CA C 43 59.961 59.961 58.838 1.123 25495 199 1 . 1 1 43 43 LYS CB C 43 32.374 32.374 32.263 0.111 25495 200 1 . 1 1 43 43 LYS H H 43 7.319 7.319 7.535 -0.216 25495 201 1 . 1 1 44 44 VAL N N 44 119.639 119.639 120.565 -0.926 25495 202 1 . 1 1 44 44 VAL HA H 44 3.595 3.595 3.603 -0.008 25495 203 1 . 1 1 44 44 VAL CA C 44 66.306 66.306 66.388 -0.082 25495 204 1 . 1 1 44 44 VAL CB C 44 31.792 31.792 31.475 0.317 25495 205 1 . 1 1 44 44 VAL H H 44 7.570 7.570 7.588 -0.018 25495 206 1 . 1 1 45 45 MET N N 45 116.846 116.846 117.809 -0.963 25495 207 1 . 1 1 45 45 MET HA H 45 4.186 4.186 4.100 0.086 25495 208 1 . 1 1 45 45 MET CA C 45 58.345 58.345 58.159 0.186 25495 209 1 . 1 1 45 45 MET CB C 45 31.125 31.125 31.492 -0.367 25495 210 1 . 1 1 45 45 MET H H 45 8.438 8.438 8.336 0.102 25495 211 1 . 1 1 46 46 ARG N N 46 118.762 118.762 120.057 -1.295 25495 212 1 . 1 1 46 46 ARG HA H 46 4.652 4.652 4.172 0.480 25495 213 1 . 1 1 46 46 ARG CA C 46 59.351 59.351 59.140 0.211 25495 214 1 . 1 1 46 46 ARG CB C 46 30.055 30.055 29.988 0.067 25495 215 1 . 1 1 46 46 ARG H H 46 8.114 8.114 7.759 0.355 25495 216 1 . 1 1 47 47 MET N N 47 122.339 122.339 119.064 3.275 25495 217 1 . 1 1 47 47 MET HA H 47 4.225 4.225 4.182 0.043 25495 218 1 . 1 1 47 47 MET CA C 47 59.117 59.117 58.322 0.795 25495 219 1 . 1 1 47 47 MET CB C 47 32.404 32.404 32.446 -0.042 25495 220 1 . 1 1 47 47 MET H H 47 7.889 7.889 7.676 0.213 25495 221 1 . 1 1 48 48 LEU N N 48 117.654 117.654 117.136 0.518 25495 222 1 . 1 1 48 48 LEU HA H 48 4.408 4.408 4.265 0.143 25495 223 1 . 1 1 48 48 LEU CA C 48 54.657 54.657 55.207 -0.550 25495 224 1 . 1 1 48 48 LEU CB C 48 41.779 41.779 42.161 -0.382 25495 225 1 . 1 1 48 48 LEU H H 48 7.516 7.516 7.655 -0.139 25495 226 1 . 1 1 49 49 GLY N N 49 107.494 107.494 105.901 1.593 25495 227 1 . 1 1 49 49 GLY CA C 49 45.899 45.899 44.745 1.154 25495 228 1 . 1 1 49 49 GLY H H 49 7.875 7.875 7.672 0.203 25495 229 1 . 1 1 50 50 GLN N N 50 118.165 118.165 119.929 -1.764 25495 230 1 . 1 1 50 50 GLN HA H 50 4.504 4.504 4.527 -0.023 25495 231 1 . 1 1 50 50 GLN CA C 50 54.062 54.062 54.311 -0.249 25495 232 1 . 1 1 50 50 GLN CB C 50 31.096 31.096 31.066 0.030 25495 233 1 . 1 1 50 50 GLN H H 50 8.025 8.025 8.109 -0.084 25495 234 1 . 1 1 51 51 ASN N N 51 116.752 116.752 120.639 -3.887 25495 235 1 . 1 1 51 51 ASN HA H 51 5.156 5.156 5.064 0.092 25495 236 1 . 1 1 51 51 ASN CA C 51 51.184 51.184 50.760 0.424 25495 237 1 . 1 1 51 51 ASN CB C 51 39.252 39.252 38.931 0.321 25495 238 1 . 1 1 51 51 ASN H H 51 8.706 8.706 8.618 0.088 25495 239 1 . 1 1 52 52 PRO HA H 52 4.771 4.771 4.666 0.105 25495 240 1 . 1 1 52 52 PRO CA C 52 62.223 62.223 62.711 -0.488 25495 241 1 . 1 1 52 52 PRO CB C 52 32.016 32.016 32.418 -0.402 25495 242 1 . 1 1 53 53 THR N N 53 114.441 114.441 109.414 5.027 25495 243 1 . 1 1 53 53 THR HA H 53 4.623 4.623 4.728 -0.105 25495 244 1 . 1 1 53 53 THR CA C 53 60.314 60.314 58.885 1.429 25495 245 1 . 1 1 53 53 THR CB C 53 68.422 68.422 69.491 -1.069 25495 246 1 . 1 1 53 53 THR H H 53 8.899 8.899 7.914 0.985 25495 247 1 . 1 1 54 54 PRO HA H 54 4.181 4.181 4.183 -0.002 25495 248 1 . 1 1 54 54 PRO CA C 54 66.187 66.187 65.558 0.629 25495 249 1 . 1 1 54 54 PRO CB C 54 31.768 31.768 31.754 0.014 25495 250 1 . 1 1 55 55 GLU N N 55 117.303 117.303 117.269 0.034 25495 251 1 . 1 1 55 55 GLU HA H 55 4.025 4.025 4.033 -0.008 25495 252 1 . 1 1 55 55 GLU CA C 55 60.510 60.510 59.726 0.784 25495 253 1 . 1 1 55 55 GLU CB C 55 28.766 28.766 28.879 -0.113 25495 254 1 . 1 1 55 55 GLU H H 55 8.751 8.751 8.978 -0.227 25495 255 1 . 1 1 56 56 GLU N N 56 121.627 121.627 119.833 1.794 25495 256 1 . 1 1 56 56 GLU HA H 56 3.997 3.997 4.183 -0.186 25495 257 1 . 1 1 56 56 GLU CA C 56 59.200 59.200 58.658 0.542 25495 258 1 . 1 1 56 56 GLU CB C 56 30.049 30.049 29.330 0.719 25495 259 1 . 1 1 56 56 GLU H H 56 7.813 7.813 7.742 0.071 25495 260 1 . 1 1 57 57 LEU N N 57 118.921 118.921 120.475 -1.554 25495 261 1 . 1 1 57 57 LEU HA H 57 4.032 4.032 4.033 -0.001 25495 262 1 . 1 1 57 57 LEU CA C 57 57.774 57.774 57.968 -0.194 25495 263 1 . 1 1 57 57 LEU CB C 57 42.648 42.648 41.612 1.036 25495 264 1 . 1 1 57 57 LEU H H 57 8.143 8.143 7.818 0.325 25495 265 1 . 1 1 58 58 GLN N N 58 117.966 117.966 119.091 -1.125 25495 266 1 . 1 1 58 58 GLN HA H 58 3.706 3.706 3.957 -0.251 25495 267 1 . 1 1 58 58 GLN CA C 58 58.237 58.237 58.954 -0.717 25495 268 1 . 1 1 58 58 GLN CB C 58 28.483 28.483 28.333 0.150 25495 269 1 . 1 1 58 58 GLN H H 58 8.001 8.001 8.203 -0.202 25495 270 1 . 1 1 59 59 GLU N N 59 119.177 119.177 120.207 -1.030 25495 271 1 . 1 1 59 59 GLU HA H 59 4.041 4.041 4.050 -0.009 25495 272 1 . 1 1 59 59 GLU CA C 59 59.638 59.638 59.154 0.484 25495 273 1 . 1 1 59 59 GLU CB C 59 29.430 29.430 29.384 0.046 25495 274 1 . 1 1 59 59 GLU H H 59 7.935 7.935 7.844 0.091 25495 275 1 . 1 1 60 60 MET N N 60 117.654 117.654 119.057 -1.403 25495 276 1 . 1 1 60 60 MET HA H 60 3.936 3.936 4.167 -0.231 25495 277 1 . 1 1 60 60 MET CA C 60 59.488 59.488 59.009 0.479 25495 278 1 . 1 1 60 60 MET CB C 60 33.570 33.570 32.578 0.993 25495 279 1 . 1 1 60 60 MET H H 60 7.640 7.640 7.936 -0.296 25495 280 1 . 1 1 61 61 ILE N N 61 118.132 118.132 119.756 -1.624 25495 281 1 . 1 1 61 61 ILE HA H 61 3.355 3.355 3.590 -0.235 25495 282 1 . 1 1 61 61 ILE CA C 61 64.391 64.391 65.360 -0.969 25495 283 1 . 1 1 61 61 ILE CB C 61 37.439 37.439 37.569 -0.130 25495 284 1 . 1 1 61 61 ILE H H 61 7.334 7.334 7.832 -0.498 25495 285 1 . 1 1 62 62 ASP N N 62 119.480 119.480 120.257 -0.777 25495 286 1 . 1 1 62 62 ASP HA H 62 4.274 4.274 4.326 -0.052 25495 287 1 . 1 1 62 62 ASP CA C 62 57.424 57.424 57.170 0.254 25495 288 1 . 1 1 62 62 ASP CB C 62 40.307 40.307 40.449 -0.142 25495 289 1 . 1 1 62 62 ASP H H 62 8.754 8.754 8.077 0.677 25495 290 1 . 1 1 63 63 GLU N N 63 116.032 116.032 118.298 -2.266 25495 291 1 . 1 1 63 63 GLU HA H 63 4.031 4.031 4.100 -0.069 25495 292 1 . 1 1 63 63 GLU CA C 63 58.818 58.818 58.762 0.056 25495 293 1 . 1 1 63 63 GLU CB C 63 30.459 30.459 29.997 0.461 25495 294 1 . 1 1 63 63 GLU H H 63 7.588 7.588 7.898 -0.310 25495 295 1 . 1 1 64 64 VAL N N 64 107.386 107.386 114.835 -7.449 25495 296 1 . 1 1 64 64 VAL HA H 64 4.526 4.526 4.034 0.492 25495 297 1 . 1 1 64 64 VAL CA C 64 60.594 60.594 63.345 -2.751 25495 298 1 . 1 1 64 64 VAL CB C 64 32.361 32.361 32.372 -0.011 25495 299 1 . 1 1 64 64 VAL H H 64 7.222 7.222 7.382 -0.160 25495 300 1 . 1 1 65 65 ASP N N 65 121.993 121.993 120.787 1.206 25495 301 1 . 1 1 65 65 ASP HA H 65 4.660 4.660 4.624 0.036 25495 302 1 . 1 1 65 65 ASP CA C 65 53.470 53.470 54.119 -0.649 25495 303 1 . 1 1 65 65 ASP CB C 65 40.397 40.397 41.229 -0.832 25495 304 1 . 1 1 65 65 ASP H H 65 7.576 7.576 8.121 -0.545 25495 305 1 . 1 1 66 66 GLU N N 66 128.234 128.234 125.106 3.128 25495 306 1 . 1 1 66 66 GLU HA H 66 4.180 4.180 4.097 0.083 25495 307 1 . 1 1 66 66 GLU CA C 66 58.471 58.471 58.461 0.010 25495 308 1 . 1 1 66 66 GLU CB C 66 30.870 30.870 29.906 0.964 25495 309 1 . 1 1 66 66 GLU H H 66 8.586 8.586 8.626 -0.040 25495 310 1 . 1 1 67 67 ASP N N 67 114.535 114.535 115.976 -1.441 25495 311 1 . 1 1 67 67 ASP HA H 67 4.722 4.722 4.591 0.131 25495 312 1 . 1 1 67 67 ASP CA C 67 52.428 52.428 53.803 -1.375 25495 313 1 . 1 1 67 67 ASP CB C 67 40.337 40.337 40.475 -0.138 25495 314 1 . 1 1 67 67 ASP H H 67 7.969 7.969 8.163 -0.194 25495 315 1 . 1 1 68 68 GLY N N 68 108.961 108.961 107.886 1.075 25495 316 1 . 1 1 68 68 GLY CA C 68 47.178 47.178 45.881 1.297 25495 317 1 . 1 1 68 68 GLY H H 68 7.766 7.766 7.952 -0.186 25495 318 1 . 1 1 69 69 SER N N 69 116.683 116.683 116.154 0.529 25495 319 1 . 1 1 69 69 SER HA H 69 4.234 4.234 4.186 0.048 25495 320 1 . 1 1 69 69 SER CA C 69 60.271 60.271 59.798 0.473 25495 321 1 . 1 1 69 69 SER CB C 69 64.864 64.864 63.917 0.947 25495 322 1 . 1 1 69 69 SER H H 69 8.469 8.469 8.682 -0.213 25495 323 1 . 1 1 70 70 GLY N N 70 116.564 116.564 110.427 6.137 25495 324 1 . 1 1 70 70 GLY CA C 70 45.694 45.694 45.347 0.347 25495 325 1 . 1 1 70 70 GLY H H 70 10.834 10.834 8.663 2.171 25495 326 1 . 1 1 71 71 THR N N 71 107.543 107.543 111.296 -3.753 25495 327 1 . 1 1 71 71 THR HA H 71 4.891 4.891 5.102 -0.211 25495 328 1 . 1 1 71 71 THR CA C 71 58.480 58.480 59.896 -1.416 25495 329 1 . 1 1 71 71 THR CB C 71 73.920 73.920 72.553 1.367 25495 330 1 . 1 1 71 71 THR H H 71 7.651 7.651 7.552 0.099 25495 331 1 . 1 1 72 72 VAL N N 72 126.890 126.890 122.708 4.182 25495 332 1 . 1 1 72 72 VAL HA H 72 5.068 5.068 4.753 0.315 25495 333 1 . 1 1 72 72 VAL CA C 72 61.691 61.691 61.037 0.654 25495 334 1 . 1 1 72 72 VAL CB C 72 33.970 33.970 33.849 0.121 25495 335 1 . 1 1 72 72 VAL H H 72 9.698 9.698 8.835 0.863 25495 336 1 . 1 1 73 73 ASP N N 73 129.120 129.120 126.814 2.306 25495 337 1 . 1 1 73 73 ASP HA H 73 5.154 5.154 5.032 0.122 25495 338 1 . 1 1 73 73 ASP CA C 73 52.448 52.448 52.595 -0.147 25495 339 1 . 1 1 73 73 ASP CB C 73 41.552 41.552 43.094 -1.542 25495 340 1 . 1 1 73 73 ASP H H 73 8.807 8.807 8.380 0.427 25495 341 1 . 1 1 74 74 PHE N N 74 118.110 118.110 120.037 -1.927 25495 342 1 . 1 1 74 74 PHE HA H 74 3.333 3.333 3.794 -0.461 25495 343 1 . 1 1 74 74 PHE CA C 74 61.653 61.653 62.679 -1.026 25495 344 1 . 1 1 74 74 PHE CB C 74 38.540 38.540 39.019 -0.479 25495 345 1 . 1 1 74 74 PHE H H 74 8.511 8.511 8.783 -0.272 25495 346 1 . 1 1 75 75 ASP N N 75 117.145 117.145 118.587 -1.442 25495 347 1 . 1 1 75 75 ASP HA H 75 3.981 3.981 4.363 -0.382 25495 348 1 . 1 1 75 75 ASP CA C 75 58.004 58.004 57.961 0.043 25495 349 1 . 1 1 75 75 ASP CB C 75 40.342 40.342 39.886 0.456 25495 350 1 . 1 1 75 75 ASP H H 75 7.601 7.601 8.720 -1.119 25495 351 1 . 1 1 76 76 GLU N N 76 120.605 120.605 119.970 0.635 25495 352 1 . 1 1 76 76 GLU HA H 76 4.050 4.050 4.008 0.041 25495 353 1 . 1 1 76 76 GLU CA C 76 58.330 58.330 59.226 -0.895 25495 354 1 . 1 1 76 76 GLU CB C 76 30.095 30.095 29.468 0.627 25495 355 1 . 1 1 76 76 GLU H H 76 8.235 8.235 8.683 -0.448 25495 356 1 . 1 1 77 77 PHE N N 77 123.122 123.122 121.523 1.599 25495 357 1 . 1 1 77 77 PHE HA H 77 3.975 3.975 4.169 -0.194 25495 358 1 . 1 1 77 77 PHE CA C 77 60.508 60.508 61.150 -0.642 25495 359 1 . 1 1 77 77 PHE CB C 77 39.563 39.563 39.109 0.454 25495 360 1 . 1 1 77 77 PHE H H 77 8.983 8.983 8.586 0.397 25495 361 1 . 1 1 78 78 LEU N N 78 118.537 118.537 119.235 -0.698 25495 362 1 . 1 1 78 78 LEU HA H 78 3.289 3.289 3.482 -0.192 25495 363 1 . 1 1 78 78 LEU CA C 78 58.109 58.109 57.911 0.198 25495 364 1 . 1 1 78 78 LEU CB C 78 41.480 41.480 41.345 0.135 25495 365 1 . 1 1 78 78 LEU H H 78 7.842 7.842 7.884 -0.042 25495 366 1 . 1 1 79 79 VAL N N 79 117.650 117.650 119.159 -1.509 25495 367 1 . 1 1 79 79 VAL HA H 79 3.271 3.271 3.609 -0.338 25495 368 1 . 1 1 79 79 VAL CA C 79 66.435 66.435 66.663 -0.229 25495 369 1 . 1 1 79 79 VAL CB C 79 31.014 31.014 31.388 -0.374 25495 370 1 . 1 1 79 79 VAL H H 79 6.834 6.834 7.723 -0.889 25495 371 1 . 1 1 80 80 MET N N 80 120.117 120.117 119.882 0.235 25495 372 1 . 1 1 80 80 MET HA H 80 3.550 3.550 4.001 -0.451 25495 373 1 . 1 1 80 80 MET CA C 80 59.506 59.506 58.684 0.822 25495 374 1 . 1 1 80 80 MET CB C 80 34.002 34.002 32.194 1.808 25495 375 1 . 1 1 80 80 MET H H 80 7.990 7.990 8.072 -0.082 25495 376 1 . 1 1 81 81 MET N N 81 116.622 116.622 119.524 -2.902 25495 377 1 . 1 1 81 81 MET HA H 81 4.074 4.074 4.047 0.027 25495 378 1 . 1 1 81 81 MET CA C 81 56.657 56.657 58.595 -1.938 25495 379 1 . 1 1 81 81 MET CB C 81 32.334 32.334 32.023 0.312 25495 380 1 . 1 1 81 81 MET H H 81 8.148 8.148 7.690 0.458 25495 381 1 . 1 1 82 82 VAL N N 82 117.651 117.651 119.268 -1.617 25495 382 1 . 1 1 82 82 VAL HA H 82 3.934 3.934 3.568 0.366 25495 383 1 . 1 1 82 82 VAL CA C 82 66.177 66.177 66.657 -0.480 25495 384 1 . 1 1 82 82 VAL CB C 82 31.243 31.243 31.086 0.157 25495 385 1 . 1 1 82 82 VAL H H 82 8.082 8.082 7.973 0.109 25495 386 1 . 1 1 83 83 ARG N N 83 120.226 120.226 120.444 -0.218 25495 387 1 . 1 1 83 83 ARG HA H 83 3.821 3.821 4.131 -0.310 25495 388 1 . 1 1 83 83 ARG CA C 83 59.590 59.590 59.793 -0.203 25495 389 1 . 1 1 83 83 ARG CB C 83 29.982 29.982 30.048 -0.066 25495 390 1 . 1 1 83 83 ARG H H 83 8.086 8.086 8.373 -0.287 25495 391 1 . 1 1 84 84 CYS N N 84 115.892 115.892 117.091 -1.199 25495 392 1 . 1 1 84 84 CYS HA H 84 4.434 4.434 4.226 0.208 25495 393 1 . 1 1 84 84 CYS CA C 84 61.537 61.537 62.679 -1.142 25495 394 1 . 1 1 84 84 CYS CB C 84 27.440 27.440 27.270 0.170 25495 395 1 . 1 1 84 84 CYS H H 84 7.754 7.754 8.069 -0.315 25495 396 1 . 1 1 85 85 MET HA H 85 4.416 4.416 4.225 0.191 25495 397 1 . 1 1 85 85 MET CA C 85 57.720 57.720 57.853 -0.133 25495 398 1 . 1 1 85 85 MET CB C 85 34.275 34.275 32.639 1.636 25495 399 1 . 1 1 86 86 LYS N N 86 119.961 119.961 117.312 2.649 25495 400 1 . 1 1 86 86 LYS HA H 86 4.348 4.348 4.184 0.164 25495 401 1 . 1 1 86 86 LYS CA C 86 56.728 56.728 57.308 -0.580 25495 402 1 . 1 1 86 86 LYS CB C 86 33.369 33.369 32.949 0.420 25495 403 1 . 1 1 86 86 LYS H H 86 7.886 7.886 7.892 -0.006 25495 404 1 . 1 1 87 87 ASP N N 87 121.700 121.700 119.328 2.372 25495 405 1 . 1 1 87 87 ASP HA H 87 4.721 4.721 4.461 0.260 25495 406 1 . 1 1 87 87 ASP CA C 87 54.582 54.582 55.396 -0.814 25495 407 1 . 1 1 87 87 ASP CB C 87 41.302 41.302 41.098 0.204 25495 408 1 . 1 1 87 87 ASP H H 87 8.219 8.219 8.094 0.125 25495 409 1 . 1 1 88 88 ASP N N 88 121.739 121.739 121.877 -0.138 25495 410 1 . 1 1 88 88 ASP HA H 88 4.732 4.732 4.773 -0.041 25495 411 1 . 1 1 88 88 ASP CA C 88 54.254 54.254 53.398 0.856 25495 412 1 . 1 1 88 88 ASP CB C 88 41.348 41.348 40.071 1.277 25495 413 1 . 1 1 88 88 ASP H H 88 8.256 8.256 8.381 -0.125 25495 stop_ save_