data_18225 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18225 _Entry.PDB_ID 2LOU 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 18225 _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 GLU N N 2 123.432 123.432 123.789 -0.357 18225 2 1 1 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.462 -0.053 18225 3 1 1 . 1 1 2 2 GLU C C 2 175.510 175.510 176.738 -1.228 18225 4 1 1 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.168 0.048 18225 5 1 1 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.133 -0.595 18225 6 1 1 . 1 1 2 2 GLU H H 2 8.824 8.824 8.438 0.386 18225 7 1 1 . 1 1 3 3 GLU N N 3 121.813 121.813 123.183 -1.370 18225 8 1 1 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.199 0.179 18225 9 1 1 . 1 1 3 3 GLU C C 3 176.299 176.299 177.048 -0.749 18225 10 1 1 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.070 -0.778 18225 11 1 1 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.099 -0.647 18225 12 1 1 . 1 1 3 3 GLU H H 3 8.546 8.546 8.406 0.140 18225 13 1 1 . 1 1 4 4 GLY N N 4 109.619 109.619 105.078 4.541 18225 14 1 1 . 1 1 4 4 GLY C C 4 174.449 174.449 173.943 0.506 18225 15 1 1 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.407 1.123 18225 16 1 1 . 1 1 4 4 GLY H H 4 8.463 8.463 8.469 -0.006 18225 17 1 1 . 1 1 5 5 GLY N N 5 108.241 108.241 109.177 -0.936 18225 18 1 1 . 1 1 5 5 GLY C C 5 173.965 173.965 174.308 -0.343 18225 19 1 1 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.852 0.600 18225 20 1 1 . 1 1 5 5 GLY H H 5 8.220 8.220 7.918 0.302 18225 21 1 1 . 1 1 6 6 ASP N N 6 119.184 119.184 119.771 -0.587 18225 22 1 1 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.419 0.179 18225 23 1 1 . 1 1 6 6 ASP C C 6 175.801 175.801 177.249 -1.448 18225 24 1 1 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.682 -0.770 18225 25 1 1 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.373 -2.038 18225 26 1 1 . 1 1 6 6 ASP H H 6 8.329 8.329 8.348 -0.019 18225 27 1 1 . 1 1 7 7 PHE N N 7 119.589 119.589 114.456 5.133 18225 28 1 1 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.003 0.477 18225 29 1 1 . 1 1 7 7 PHE C C 7 175.881 175.881 173.987 1.894 18225 30 1 1 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.499 0.322 18225 31 1 1 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.308 0.774 18225 32 1 1 . 1 1 7 7 PHE H H 7 8.342 8.342 8.276 0.066 18225 33 1 1 . 1 1 8 8 ASP N N 8 118.430 118.430 121.191 -2.761 18225 34 1 1 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.739 0.717 18225 35 1 1 . 1 1 8 8 ASP C C 8 175.642 175.642 175.059 0.583 18225 36 1 1 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.691 -0.088 18225 37 1 1 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.652 -2.068 18225 38 1 1 . 1 1 8 8 ASP H H 8 8.223 8.223 7.543 0.680 18225 39 1 1 . 1 1 9 9 ASN N N 9 117.097 117.097 122.168 -5.071 18225 40 1 1 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.197 0.362 18225 41 1 1 . 1 1 9 9 ASN C C 9 175.264 175.264 174.838 0.426 18225 42 1 1 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.718 1.127 18225 43 1 1 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.576 0.139 18225 44 1 1 . 1 1 9 9 ASN H H 9 8.069 8.069 7.304 0.765 18225 45 1 1 . 1 1 10 10 TYR N N 10 119.007 119.007 116.996 2.011 18225 46 1 1 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.028 0.321 18225 47 1 1 . 1 1 10 10 TYR C C 10 175.387 175.387 175.382 0.005 18225 48 1 1 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.745 -1.551 18225 49 1 1 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.918 1.910 18225 50 1 1 . 1 1 10 10 TYR H H 10 7.901 7.901 7.770 0.131 18225 51 1 1 . 1 1 11 11 TYR N N 11 117.992 117.992 119.649 -1.657 18225 52 1 1 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.259 0.184 18225 53 1 1 . 1 1 11 11 TYR C C 11 175.765 175.765 176.237 -0.472 18225 54 1 1 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.193 -0.821 18225 55 1 1 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.690 0.104 18225 56 1 1 . 1 1 11 11 TYR H H 11 7.885 7.885 8.506 -0.621 18225 57 1 1 . 1 1 12 12 GLY N N 12 108.601 108.601 109.404 -0.803 18225 58 1 1 . 1 1 12 12 GLY C C 12 173.934 173.934 175.257 -1.323 18225 59 1 1 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.999 -0.510 18225 60 1 1 . 1 1 12 12 GLY H H 12 7.861 7.861 8.595 -0.734 18225 61 1 1 . 1 1 13 13 ALA N N 13 122.926 122.926 121.855 1.071 18225 62 1 1 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.066 0.213 18225 63 1 1 . 1 1 13 13 ALA C C 13 177.457 177.457 178.506 -1.049 18225 64 1 1 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.640 -0.858 18225 65 1 1 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.684 0.763 18225 66 1 1 . 1 1 13 13 ALA H H 13 7.985 7.985 8.353 -0.368 18225 67 1 1 . 1 1 14 14 ASP N N 14 117.380 117.380 118.159 -0.779 18225 68 1 1 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.379 0.261 18225 69 1 1 . 1 1 14 14 ASP C C 14 175.428 175.428 177.808 -2.380 18225 70 1 1 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.467 -2.795 18225 71 1 1 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.087 -0.722 18225 72 1 1 . 1 1 14 14 ASP H H 14 8.330 8.330 8.529 -0.199 18225 73 1 1 . 1 1 15 15 ASN N N 15 118.465 118.465 117.113 1.352 18225 74 1 1 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.538 0.101 18225 75 1 1 . 1 1 15 15 ASN C C 15 175.467 175.467 175.506 -0.039 18225 76 1 1 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.586 -0.929 18225 77 1 1 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.553 0.415 18225 78 1 1 . 1 1 15 15 ASN H H 15 8.207 8.207 7.692 0.515 18225 79 1 1 . 1 1 16 16 GLN N N 16 119.741 119.741 117.298 2.443 18225 80 1 1 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.397 -0.082 18225 81 1 1 . 1 1 16 16 GLN C C 16 176.350 176.350 174.257 2.093 18225 82 1 1 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.254 1.386 18225 83 1 1 . 1 1 16 16 GLN CB C 16 29.096 29.096 29.541 -0.445 18225 84 1 1 . 1 1 16 16 GLN H H 16 8.292 8.292 7.804 0.488 18225 85 1 1 . 1 1 17 17 SER N N 17 115.772 115.772 115.453 0.319 18225 86 1 1 . 1 1 17 17 SER HA H 17 4.390 4.390 4.616 -0.226 18225 87 1 1 . 1 1 17 17 SER C C 17 174.799 174.799 172.920 1.879 18225 88 1 1 . 1 1 17 17 SER CA C 17 59.165 59.165 56.772 2.393 18225 89 1 1 . 1 1 17 17 SER CB C 17 63.651 63.651 65.363 -1.712 18225 90 1 1 . 1 1 17 17 SER H H 17 8.224 8.224 7.798 0.426 18225 91 1 1 . 1 1 18 18 GLU N N 18 121.211 121.211 121.132 0.079 18225 92 1 1 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.495 -0.177 18225 93 1 1 . 1 1 18 18 GLU C C 18 176.201 176.201 175.758 0.443 18225 94 1 1 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.954 -1.229 18225 95 1 1 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.040 -0.075 18225 96 1 1 . 1 1 18 18 GLU H H 18 8.285 8.285 8.836 -0.551 18225 97 1 1 . 1 1 19 19 CYS N N 19 118.653 118.653 124.129 -5.476 18225 98 1 1 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.604 -0.181 18225 99 1 1 . 1 1 19 19 CYS C C 19 174.698 174.698 174.996 -0.298 18225 100 1 1 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.909 -0.834 18225 101 1 1 . 1 1 19 19 CYS CB C 19 27.850 27.850 30.624 -2.774 18225 102 1 1 . 1 1 19 19 CYS H H 19 8.202 8.202 8.761 -0.559 18225 103 1 1 . 1 1 20 20 GLU N N 20 121.851 121.851 119.899 1.952 18225 104 1 1 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.624 -0.359 18225 105 1 1 . 1 1 20 20 GLU C C 20 176.100 176.100 175.174 0.926 18225 106 1 1 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.533 0.289 18225 107 1 1 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.730 -1.754 18225 108 1 1 . 1 1 20 20 GLU H H 20 8.349 8.349 8.846 -0.497 18225 109 1 1 . 1 1 21 21 TYR N N 21 118.491 118.491 116.552 1.939 18225 110 1 1 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.158 -0.740 18225 111 1 1 . 1 1 21 21 TYR C C 21 175.881 175.881 174.458 1.423 18225 112 1 1 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.028 0.703 18225 113 1 1 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.569 -0.943 18225 114 1 1 . 1 1 21 21 TYR H H 21 7.974 7.974 8.144 -0.170 18225 115 1 1 . 1 1 22 22 THR N N 22 112.161 112.161 113.652 -1.491 18225 116 1 1 . 1 1 22 22 THR HA H 22 4.105 4.105 3.974 0.131 18225 117 1 1 . 1 1 22 22 THR C C 22 174.666 174.666 175.943 -1.277 18225 118 1 1 . 1 1 22 22 THR CA C 22 63.190 63.190 61.752 1.438 18225 119 1 1 . 1 1 22 22 THR CB C 22 69.306 69.306 68.979 0.327 18225 120 1 1 . 1 1 22 22 THR H H 22 7.747 7.747 7.618 0.129 18225 121 1 1 . 1 1 23 23 ASP N N 23 120.529 120.529 122.490 -1.961 18225 122 1 1 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.559 0.095 18225 123 1 1 . 1 1 23 23 ASP C C 23 176.119 176.119 176.908 -0.789 18225 124 1 1 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.938 -2.035 18225 125 1 1 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.945 -1.807 18225 126 1 1 . 1 1 23 23 ASP H H 23 8.114 8.114 8.592 -0.478 18225 127 1 1 . 1 1 24 24 TRP N N 24 121.466 121.466 117.062 4.404 18225 128 1 1 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.913 -0.437 18225 129 1 1 . 1 1 24 24 TRP C C 24 176.578 176.578 176.323 0.255 18225 130 1 1 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.031 2.280 18225 131 1 1 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.664 0.522 18225 132 1 1 . 1 1 24 24 TRP H H 24 8.034 8.034 7.966 0.068 18225 133 1 1 . 1 1 25 25 LYS N N 25 119.430 119.430 120.711 -1.281 18225 134 1 1 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.212 0.833 18225 135 1 1 . 1 1 25 25 LYS C C 25 176.798 176.798 176.308 0.490 18225 136 1 1 . 1 1 25 25 LYS CA C 25 57.761 57.761 58.216 -0.455 18225 137 1 1 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.197 0.212 18225 138 1 1 . 1 1 25 25 LYS H H 25 7.880 7.880 7.118 0.762 18225 139 1 1 . 1 1 26 26 SER N N 26 113.780 113.780 109.703 4.077 18225 140 1 1 . 1 1 26 26 SER HA H 26 4.461 4.461 4.255 0.206 18225 141 1 1 . 1 1 26 26 SER C C 26 174.957 174.957 174.805 0.152 18225 142 1 1 . 1 1 26 26 SER CA C 26 58.760 58.760 58.216 0.544 18225 143 1 1 . 1 1 26 26 SER CB C 26 63.889 63.889 63.637 0.252 18225 144 1 1 . 1 1 26 26 SER H H 26 7.893 7.893 7.654 0.239 18225 145 1 1 . 1 1 27 27 SER N N 27 116.730 116.730 117.659 -0.929 18225 146 1 1 . 1 1 27 27 SER HA H 27 4.328 4.328 4.143 0.185 18225 147 1 1 . 1 1 27 27 SER C C 27 175.563 175.563 174.949 0.614 18225 148 1 1 . 1 1 27 27 SER CA C 27 59.856 59.856 60.479 -0.623 18225 149 1 1 . 1 1 27 27 SER CB C 27 63.819 63.819 61.337 2.482 18225 150 1 1 . 1 1 27 27 SER H H 27 8.137 8.137 8.612 -0.475 18225 151 1 1 . 1 1 28 28 GLY N N 28 110.734 110.734 108.951 1.783 18225 152 1 1 . 1 1 28 28 GLY C C 28 174.314 174.314 173.468 0.846 18225 153 1 1 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.158 0.967 18225 154 1 1 . 1 1 28 28 GLY H H 28 8.477 8.477 8.006 0.471 18225 155 1 1 . 1 1 29 29 ALA N N 29 121.690 121.690 122.239 -0.549 18225 156 1 1 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.616 -0.327 18225 157 1 1 . 1 1 29 29 ALA C C 29 177.330 177.330 176.081 1.249 18225 158 1 1 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.651 0.523 18225 159 1 1 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.531 0.353 18225 160 1 1 . 1 1 29 29 ALA H H 29 8.189 8.189 7.749 0.440 18225 161 1 1 . 1 1 30 30 LEU N N 30 117.292 117.292 117.206 0.086 18225 162 1 1 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.338 -0.259 18225 163 1 1 . 1 1 30 30 LEU C C 30 177.377 177.377 176.427 0.950 18225 164 1 1 . 1 1 30 30 LEU CA C 30 58.234 58.234 57.066 1.167 18225 165 1 1 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.983 -0.569 18225 166 1 1 . 1 1 30 30 LEU H H 30 7.873 7.873 7.926 -0.053 18225 167 1 1 . 1 1 31 31 ILE N N 31 116.517 116.517 119.407 -2.890 18225 168 1 1 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.142 -0.259 18225 169 1 1 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.596 2.670 18225 170 1 1 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.747 0.009 18225 171 1 1 . 1 1 31 31 ILE H H 31 8.262 8.262 8.447 -0.185 18225 172 1 1 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.342 -0.130 18225 173 1 1 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.088 0.905 18225 174 1 1 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.711 0.281 18225 175 1 1 . 1 1 33 33 ALA N N 33 118.208 118.208 120.481 -2.273 18225 176 1 1 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.327 -0.261 18225 177 1 1 . 1 1 33 33 ALA C C 33 178.814 178.814 179.684 -0.870 18225 178 1 1 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.368 2.321 18225 179 1 1 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.723 -1.344 18225 180 1 1 . 1 1 33 33 ALA H H 33 7.613 7.613 7.389 0.224 18225 181 1 1 . 1 1 34 34 ILE N N 34 117.730 117.730 120.020 -2.290 18225 182 1 1 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.649 0.016 18225 183 1 1 . 1 1 34 34 ILE C C 34 177.826 177.826 177.732 0.094 18225 184 1 1 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.142 0.012 18225 185 1 1 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.833 -0.549 18225 186 1 1 . 1 1 34 34 ILE H H 34 8.259 8.259 7.496 0.763 18225 187 1 1 . 1 1 35 35 TYR N N 35 118.693 118.693 119.518 -0.825 18225 188 1 1 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.371 -0.278 18225 189 1 1 . 1 1 35 35 TYR C C 35 177.885 177.885 176.462 1.423 18225 190 1 1 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.267 1.371 18225 191 1 1 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.937 -1.013 18225 192 1 1 . 1 1 35 35 TYR H H 35 8.347 8.347 8.109 0.238 18225 193 1 1 . 1 1 36 36 MET N N 36 117.356 117.356 118.951 -1.595 18225 194 1 1 . 1 1 36 36 MET HA H 36 4.220 4.220 4.439 -0.219 18225 195 1 1 . 1 1 36 36 MET C C 36 177.903 177.903 176.594 1.309 18225 196 1 1 . 1 1 36 36 MET CA C 36 58.653 58.653 57.905 0.748 18225 197 1 1 . 1 1 36 36 MET CB C 36 32.172 32.172 33.849 -1.677 18225 198 1 1 . 1 1 36 36 MET H H 36 8.252 8.252 8.092 0.160 18225 199 1 1 . 1 1 37 37 LEU N N 37 119.978 119.978 118.360 1.618 18225 200 1 1 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.253 -0.225 18225 201 1 1 . 1 1 37 37 LEU C C 37 178.393 178.393 177.981 0.412 18225 202 1 1 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.972 1.670 18225 203 1 1 . 1 1 37 37 LEU CB C 37 41.989 41.989 42.279 -0.291 18225 204 1 1 . 1 1 37 37 LEU H H 37 8.301 8.301 8.095 0.206 18225 205 1 1 . 1 1 38 38 VAL N N 38 117.991 117.991 117.147 0.844 18225 206 1 1 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.913 -0.411 18225 207 1 1 . 1 1 38 38 VAL C C 38 177.962 177.962 175.955 2.007 18225 208 1 1 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.541 3.614 18225 209 1 1 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.816 -0.401 18225 210 1 1 . 1 1 38 38 VAL H H 38 8.414 8.414 7.479 0.935 18225 211 1 1 . 1 1 39 39 PHE N N 39 119.830 119.830 120.765 -0.935 18225 212 1 1 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.053 0.125 18225 213 1 1 . 1 1 39 39 PHE C C 39 178.233 178.233 175.427 2.806 18225 214 1 1 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.808 0.695 18225 215 1 1 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.233 -0.175 18225 216 1 1 . 1 1 39 39 PHE H H 39 8.337 8.337 7.843 0.493 18225 217 1 1 . 1 1 40 40 LEU N N 40 119.985 119.985 111.806 8.179 18225 218 1 1 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.017 -0.051 18225 219 1 1 . 1 1 40 40 LEU C C 40 179.279 179.279 176.028 3.251 18225 220 1 1 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.251 2.621 18225 221 1 1 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.798 0.589 18225 222 1 1 . 1 1 40 40 LEU H H 40 8.603 8.603 7.649 0.954 18225 223 1 1 . 1 1 41 41 LEU N N 41 118.649 118.649 118.739 -0.090 18225 224 1 1 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.525 -0.481 18225 225 1 1 . 1 1 41 41 LEU C C 41 178.670 178.670 176.593 2.077 18225 226 1 1 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.841 2.842 18225 227 1 1 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.564 -0.633 18225 228 1 1 . 1 1 41 41 LEU H H 41 8.486 8.486 7.192 1.294 18225 229 1 1 . 1 1 42 42 GLY N N 42 105.262 105.262 106.649 -1.387 18225 230 1 1 . 1 1 42 42 GLY C C 42 174.814 174.814 174.483 0.331 18225 231 1 1 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.157 0.248 18225 232 1 1 . 1 1 42 42 GLY H H 42 8.289 8.289 7.844 0.445 18225 233 1 1 . 1 1 43 43 THR N N 43 111.955 111.955 114.352 -2.397 18225 234 1 1 . 1 1 43 43 THR HA H 43 4.243 4.243 4.382 -0.139 18225 235 1 1 . 1 1 43 43 THR C C 43 175.888 175.888 175.717 0.171 18225 236 1 1 . 1 1 43 43 THR CA C 43 63.505 63.505 63.333 0.172 18225 237 1 1 . 1 1 43 43 THR CB C 43 69.598 69.598 69.552 0.046 18225 238 1 1 . 1 1 43 43 THR H H 43 7.891 7.891 7.352 0.539 18225 239 1 1 . 1 1 44 44 THR N N 44 111.997 111.997 118.015 -6.018 18225 240 1 1 . 1 1 44 44 THR HA H 44 4.320 4.320 3.885 0.435 18225 241 1 1 . 1 1 44 44 THR C C 44 175.543 175.543 176.069 -0.526 18225 242 1 1 . 1 1 44 44 THR CA C 44 63.009 63.009 66.161 -3.152 18225 243 1 1 . 1 1 44 44 THR CB C 44 69.881 69.881 68.874 1.007 18225 244 1 1 . 1 1 44 44 THR H H 44 7.740 7.740 7.748 -0.008 18225 245 1 1 . 1 1 45 45 GLY N N 45 109.564 109.564 109.506 0.058 18225 246 1 1 . 1 1 45 45 GLY C C 45 174.928 174.928 174.709 0.219 18225 247 1 1 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.742 -0.322 18225 248 1 1 . 1 1 45 45 GLY H H 45 8.243 8.243 8.461 -0.218 18225 249 1 1 . 1 1 46 46 ASN N N 46 117.851 117.851 117.653 0.198 18225 250 1 1 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.715 0.002 18225 251 1 1 . 1 1 46 46 ASN C C 46 176.127 176.127 175.594 0.533 18225 252 1 1 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.612 2.002 18225 253 1 1 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.881 -0.570 18225 254 1 1 . 1 1 46 46 ASN H H 46 8.170 8.170 7.836 0.334 18225 255 1 1 . 1 1 47 47 GLY N N 47 108.287 108.287 108.711 -0.424 18225 256 1 1 . 1 1 47 47 GLY C C 47 174.612 174.612 174.018 0.594 18225 257 1 1 . 1 1 47 47 GLY CA C 47 47.241 47.241 46.519 0.722 18225 258 1 1 . 1 1 47 47 GLY H H 47 8.663 8.663 8.306 0.357 18225 259 1 1 . 1 1 48 48 LEU N N 48 120.479 120.479 117.573 2.906 18225 260 1 1 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.589 -0.321 18225 261 1 1 . 1 1 48 48 LEU C C 48 179.407 179.407 178.379 1.028 18225 262 1 1 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.827 1.765 18225 263 1 1 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.477 -0.739 18225 264 1 1 . 1 1 48 48 LEU H H 48 8.149 8.149 7.337 0.812 18225 265 1 1 . 1 1 49 49 VAL N N 49 119.968 119.968 121.342 -1.374 18225 266 1 1 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.807 0.009 18225 267 1 1 . 1 1 49 49 VAL C C 49 177.444 177.444 177.338 0.106 18225 268 1 1 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.779 0.164 18225 269 1 1 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.795 -0.117 18225 270 1 1 . 1 1 49 49 VAL H H 49 7.969 7.969 8.286 -0.317 18225 271 1 1 . 1 1 50 50 LEU N N 50 119.329 119.329 117.788 1.541 18225 272 1 1 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.306 -0.294 18225 273 1 1 . 1 1 50 50 LEU C C 50 178.085 178.085 177.830 0.255 18225 274 1 1 . 1 1 50 50 LEU CA C 50 57.917 57.917 57.015 0.902 18225 275 1 1 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.495 0.211 18225 276 1 1 . 1 1 50 50 LEU H H 50 7.814 7.814 7.767 0.047 18225 277 1 1 . 1 1 51 51 TRP N N 51 118.186 118.186 120.007 -1.821 18225 278 1 1 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.357 0.132 18225 279 1 1 . 1 1 51 51 TRP C C 51 177.377 177.377 178.414 -1.037 18225 280 1 1 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.386 0.672 18225 281 1 1 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.440 0.341 18225 282 1 1 . 1 1 51 51 TRP H H 51 8.125 8.125 7.416 0.709 18225 283 1 1 . 1 1 52 52 THR N N 52 113.180 113.180 114.650 -1.470 18225 284 1 1 . 1 1 52 52 THR HA H 52 3.787 3.787 2.588 1.199 18225 285 1 1 . 1 1 52 52 THR C C 52 176.309 176.309 176.417 -0.108 18225 286 1 1 . 1 1 52 52 THR CA C 52 66.473 66.473 65.560 0.913 18225 287 1 1 . 1 1 52 52 THR CB C 52 68.865 68.865 67.851 1.014 18225 288 1 1 . 1 1 52 52 THR H H 52 8.079 8.079 7.715 0.364 18225 289 1 1 . 1 1 53 53 VAL N N 53 119.953 119.953 120.645 -0.692 18225 290 1 1 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.784 -0.136 18225 291 1 1 . 1 1 53 53 VAL C C 53 177.252 177.252 176.778 0.474 18225 292 1 1 . 1 1 53 53 VAL CA C 53 66.086 66.086 64.429 1.657 18225 293 1 1 . 1 1 53 53 VAL CB C 53 31.704 31.704 30.597 1.107 18225 294 1 1 . 1 1 53 53 VAL H H 53 7.913 7.913 7.675 0.238 18225 295 1 1 . 1 1 54 54 PHE N N 54 118.204 118.204 120.807 -2.603 18225 296 1 1 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.501 -0.254 18225 297 1 1 . 1 1 54 54 PHE C C 54 177.144 177.144 176.341 0.803 18225 298 1 1 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.451 1.003 18225 299 1 1 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.831 -0.715 18225 300 1 1 . 1 1 54 54 PHE H H 54 8.030 8.030 8.357 -0.327 18225 301 1 1 . 1 1 55 55 ARG N N 55 117.725 117.725 117.343 0.382 18225 302 1 1 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.344 -0.460 18225 303 1 1 . 1 1 55 55 ARG C C 55 177.443 177.443 177.055 0.388 18225 304 1 1 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.648 0.906 18225 305 1 1 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.475 -0.668 18225 306 1 1 . 1 1 55 55 ARG H H 55 8.034 8.034 7.531 0.503 18225 307 1 1 . 1 1 56 56 LYS N N 56 118.622 118.622 118.636 -0.014 18225 308 1 1 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.399 -0.235 18225 309 1 1 . 1 1 56 56 LYS C C 56 177.418 177.418 177.415 0.003 18225 310 1 1 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.630 0.887 18225 311 1 1 . 1 1 56 56 LYS CB C 56 32.808 32.808 33.242 -0.434 18225 312 1 1 . 1 1 56 56 LYS H H 56 7.804 7.804 7.706 0.098 18225 313 1 1 . 1 1 57 57 LYS N N 57 118.937 118.937 117.046 1.891 18225 314 1 1 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.934 0.324 18225 315 1 1 . 1 1 57 57 LYS C C 57 177.029 177.029 176.843 0.186 18225 316 1 1 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.025 -1.415 18225 317 1 1 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.643 1.234 18225 318 1 1 . 1 1 57 57 LYS H H 57 7.974 7.974 8.156 -0.182 18225 319 1 1 . 1 1 58 58 GLY N N 58 107.785 107.785 108.015 -0.230 18225 320 1 1 . 1 1 58 58 GLY C C 58 173.543 173.543 174.290 -0.747 18225 321 1 1 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.458 0.015 18225 322 1 1 . 1 1 58 58 GLY H H 58 8.136 8.136 8.574 -0.438 18225 323 1 1 . 1 1 59 59 HIS N N 59 117.024 117.024 117.359 -0.335 18225 324 1 1 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.771 -0.149 18225 325 1 1 . 1 1 59 59 HIS C C 59 174.183 174.183 174.265 -0.082 18225 326 1 1 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.923 -0.642 18225 327 1 1 . 1 1 59 59 HIS CB C 59 29.081 29.081 32.306 -3.225 18225 328 1 1 . 1 1 59 59 HIS H H 59 8.163 8.163 8.158 0.005 18225 329 1 1 . 1 1 60 60 HIS N N 60 118.841 118.841 117.370 1.471 18225 330 1 1 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.645 -0.015 18225 331 1 1 . 1 1 60 60 HIS C C 60 174.157 174.157 174.126 0.031 18225 332 1 1 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.392 -1.052 18225 333 1 1 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.605 -1.500 18225 334 1 1 . 1 1 60 60 HIS H H 60 8.507 8.507 8.779 -0.272 18225 335 1 1 . 1 1 61 61 HIS N N 61 119.636 119.636 118.705 0.931 18225 336 1 1 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.210 0.444 18225 337 1 1 . 1 1 61 61 HIS C C 61 174.095 174.095 173.822 0.273 18225 338 1 1 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.610 -1.281 18225 339 1 1 . 1 1 61 61 HIS CB C 61 29.234 29.234 28.600 0.634 18225 340 1 1 . 1 1 61 61 HIS H H 61 8.613 8.613 8.723 -0.110 18225 341 1 1 . 1 1 62 62 HIS N N 62 120.286 120.286 118.749 1.537 18225 342 1 1 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.718 -0.058 18225 343 1 1 . 1 1 62 62 HIS C C 62 173.928 173.928 173.046 0.882 18225 344 1 1 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.193 0.163 18225 345 1 1 . 1 1 62 62 HIS CB C 62 29.329 29.329 31.854 -2.525 18225 346 1 1 . 1 1 62 62 HIS H H 62 8.680 8.680 8.104 0.576 18225 347 1 1 . 1 1 63 63 HIS N N 63 120.408 120.408 121.199 -0.791 18225 348 1 1 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.333 0.316 18225 349 1 1 . 1 1 63 63 HIS C C 63 173.437 173.437 174.252 -0.815 18225 350 1 1 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.919 -0.355 18225 351 1 1 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.330 0.153 18225 352 1 1 . 1 1 63 63 HIS H H 63 8.541 8.541 8.720 -0.179 18225 353 1 2 . 1 1 2 2 GLU N N 2 123.432 123.432 124.078 -0.646 18225 354 1 2 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.508 -0.099 18225 355 1 2 . 1 1 2 2 GLU C C 2 175.510 175.510 176.271 -0.761 18225 356 1 2 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.116 0.100 18225 357 1 2 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.296 0.242 18225 358 1 2 . 1 1 2 2 GLU H H 2 8.824 8.824 8.629 0.195 18225 359 1 2 . 1 1 3 3 GLU N N 3 121.813 121.813 122.204 -0.391 18225 360 1 2 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.209 0.169 18225 361 1 2 . 1 1 3 3 GLU C C 3 176.299 176.299 177.147 -0.848 18225 362 1 2 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.777 -0.485 18225 363 1 2 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.305 -0.853 18225 364 1 2 . 1 1 3 3 GLU H H 3 8.546 8.546 8.275 0.271 18225 365 1 2 . 1 1 4 4 GLY N N 4 109.619 109.619 108.090 1.529 18225 366 1 2 . 1 1 4 4 GLY C C 4 174.449 174.449 173.423 1.026 18225 367 1 2 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.864 0.666 18225 368 1 2 . 1 1 4 4 GLY H H 4 8.463 8.463 8.546 -0.083 18225 369 1 2 . 1 1 5 5 GLY N N 5 108.241 108.241 108.490 -0.249 18225 370 1 2 . 1 1 5 5 GLY C C 5 173.965 173.965 174.104 -0.139 18225 371 1 2 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.713 0.739 18225 372 1 2 . 1 1 5 5 GLY H H 5 8.220 8.220 7.730 0.490 18225 373 1 2 . 1 1 6 6 ASP N N 6 119.184 119.184 121.079 -1.895 18225 374 1 2 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.475 0.123 18225 375 1 2 . 1 1 6 6 ASP C C 6 175.801 175.801 177.327 -1.526 18225 376 1 2 . 1 1 6 6 ASP CA C 6 53.912 53.912 56.129 -2.217 18225 377 1 2 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.287 -1.952 18225 378 1 2 . 1 1 6 6 ASP H H 6 8.329 8.329 8.685 -0.356 18225 379 1 2 . 1 1 7 7 PHE N N 7 119.589 119.589 113.681 5.908 18225 380 1 2 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.637 -0.157 18225 381 1 2 . 1 1 7 7 PHE C C 7 175.881 175.881 174.133 1.748 18225 382 1 2 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.932 0.889 18225 383 1 2 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.264 -1.182 18225 384 1 2 . 1 1 7 7 PHE H H 7 8.342 8.342 7.527 0.815 18225 385 1 2 . 1 1 8 8 ASP N N 8 118.430 118.430 122.055 -3.625 18225 386 1 2 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.467 0.989 18225 387 1 2 . 1 1 8 8 ASP C C 8 175.642 175.642 175.581 0.061 18225 388 1 2 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.635 -0.032 18225 389 1 2 . 1 1 8 8 ASP CB C 8 38.584 38.584 39.667 -1.083 18225 390 1 2 . 1 1 8 8 ASP H H 8 8.223 8.223 7.613 0.610 18225 391 1 2 . 1 1 9 9 ASN N N 9 117.097 117.097 122.483 -5.386 18225 392 1 2 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.685 -0.126 18225 393 1 2 . 1 1 9 9 ASN C C 9 175.264 175.264 176.121 -0.857 18225 394 1 2 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.970 -0.126 18225 395 1 2 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.206 -0.491 18225 396 1 2 . 1 1 9 9 ASN H H 9 8.069 8.069 8.040 0.029 18225 397 1 2 . 1 1 10 10 TYR N N 10 119.007 119.007 119.490 -0.483 18225 398 1 2 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.345 0.004 18225 399 1 2 . 1 1 10 10 TYR C C 10 175.387 175.387 175.586 -0.199 18225 400 1 2 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.052 -0.858 18225 401 1 2 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.773 0.055 18225 402 1 2 . 1 1 10 10 TYR H H 10 7.901 7.901 7.992 -0.091 18225 403 1 2 . 1 1 11 11 TYR N N 11 117.992 117.992 116.475 1.517 18225 404 1 2 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.205 0.238 18225 405 1 2 . 1 1 11 11 TYR C C 11 175.765 175.765 176.553 -0.788 18225 406 1 2 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.859 -0.487 18225 407 1 2 . 1 1 11 11 TYR CB C 11 38.794 38.794 39.075 -0.281 18225 408 1 2 . 1 1 11 11 TYR H H 11 7.885 7.885 7.685 0.200 18225 409 1 2 . 1 1 12 12 GLY N N 12 108.601 108.601 108.193 0.408 18225 410 1 2 . 1 1 12 12 GLY C C 12 173.934 173.934 173.565 0.369 18225 411 1 2 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.941 -0.452 18225 412 1 2 . 1 1 12 12 GLY H H 12 7.861 7.861 8.917 -1.056 18225 413 1 2 . 1 1 13 13 ALA N N 13 122.926 122.926 122.526 0.400 18225 414 1 2 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.410 -0.131 18225 415 1 2 . 1 1 13 13 ALA C C 13 177.457 177.457 178.383 -0.926 18225 416 1 2 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.760 0.022 18225 417 1 2 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.529 -0.082 18225 418 1 2 . 1 1 13 13 ALA H H 13 7.985 7.985 7.711 0.274 18225 419 1 2 . 1 1 14 14 ASP N N 14 117.380 117.380 119.323 -1.943 18225 420 1 2 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.438 0.202 18225 421 1 2 . 1 1 14 14 ASP C C 14 175.428 175.428 178.056 -2.628 18225 422 1 2 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.944 -3.272 18225 423 1 2 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.123 -0.757 18225 424 1 2 . 1 1 14 14 ASP H H 14 8.330 8.330 8.629 -0.299 18225 425 1 2 . 1 1 15 15 ASN N N 15 118.465 118.465 115.345 3.120 18225 426 1 2 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.488 0.151 18225 427 1 2 . 1 1 15 15 ASN C C 15 175.467 175.467 175.893 -0.426 18225 428 1 2 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.210 -1.553 18225 429 1 2 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.296 0.672 18225 430 1 2 . 1 1 15 15 ASN H H 15 8.207 8.207 8.173 0.034 18225 431 1 2 . 1 1 16 16 GLN N N 16 119.741 119.741 117.407 2.334 18225 432 1 2 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.478 -0.163 18225 433 1 2 . 1 1 16 16 GLN C C 16 176.350 176.350 175.064 1.286 18225 434 1 2 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.618 1.022 18225 435 1 2 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.671 0.425 18225 436 1 2 . 1 1 16 16 GLN H H 16 8.292 8.292 7.749 0.543 18225 437 1 2 . 1 1 17 17 SER N N 17 115.772 115.772 115.653 0.119 18225 438 1 2 . 1 1 17 17 SER HA H 17 4.390 4.390 4.658 -0.268 18225 439 1 2 . 1 1 17 17 SER C C 17 174.799 174.799 173.121 1.678 18225 440 1 2 . 1 1 17 17 SER CA C 17 59.165 59.165 57.190 1.975 18225 441 1 2 . 1 1 17 17 SER CB C 17 63.651 63.651 64.880 -1.230 18225 442 1 2 . 1 1 17 17 SER H H 17 8.224 8.224 8.011 0.213 18225 443 1 2 . 1 1 18 18 GLU N N 18 121.211 121.211 122.796 -1.585 18225 444 1 2 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.278 0.040 18225 445 1 2 . 1 1 18 18 GLU C C 18 176.201 176.201 175.707 0.494 18225 446 1 2 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.952 -1.227 18225 447 1 2 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.815 0.150 18225 448 1 2 . 1 1 18 18 GLU H H 18 8.285 8.285 8.637 -0.352 18225 449 1 2 . 1 1 19 19 CYS N N 19 118.653 118.653 122.468 -3.815 18225 450 1 2 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.572 -0.149 18225 451 1 2 . 1 1 19 19 CYS C C 19 174.698 174.698 174.832 -0.134 18225 452 1 2 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.017 0.058 18225 453 1 2 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.914 -2.064 18225 454 1 2 . 1 1 19 19 CYS H H 19 8.202 8.202 8.944 -0.742 18225 455 1 2 . 1 1 20 20 GLU N N 20 121.851 121.851 117.780 4.071 18225 456 1 2 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.493 -0.228 18225 457 1 2 . 1 1 20 20 GLU C C 20 176.100 176.100 174.846 1.254 18225 458 1 2 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.111 0.711 18225 459 1 2 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.773 -0.797 18225 460 1 2 . 1 1 20 20 GLU H H 20 8.349 8.349 8.468 -0.119 18225 461 1 2 . 1 1 21 21 TYR N N 21 118.491 118.491 119.185 -0.694 18225 462 1 2 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.162 -0.744 18225 463 1 2 . 1 1 21 21 TYR C C 21 175.881 175.881 175.266 0.615 18225 464 1 2 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.248 0.483 18225 465 1 2 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.624 -0.998 18225 466 1 2 . 1 1 21 21 TYR H H 21 7.974 7.974 8.415 -0.441 18225 467 1 2 . 1 1 22 22 THR N N 22 112.161 112.161 113.145 -0.984 18225 468 1 2 . 1 1 22 22 THR HA H 22 4.105 4.105 4.369 -0.264 18225 469 1 2 . 1 1 22 22 THR C C 22 174.666 174.666 173.355 1.311 18225 470 1 2 . 1 1 22 22 THR CA C 22 63.190 63.190 62.368 0.822 18225 471 1 2 . 1 1 22 22 THR CB C 22 69.306 69.306 69.169 0.137 18225 472 1 2 . 1 1 22 22 THR H H 22 7.747 7.747 8.145 -0.398 18225 473 1 2 . 1 1 23 23 ASP N N 23 120.529 120.529 120.216 0.313 18225 474 1 2 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.688 -0.034 18225 475 1 2 . 1 1 23 23 ASP C C 23 176.119 176.119 176.621 -0.502 18225 476 1 2 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.432 -0.529 18225 477 1 2 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.688 -1.550 18225 478 1 2 . 1 1 23 23 ASP H H 23 8.114 8.114 8.459 -0.345 18225 479 1 2 . 1 1 24 24 TRP N N 24 121.466 121.466 118.108 3.358 18225 480 1 2 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.762 -0.286 18225 481 1 2 . 1 1 24 24 TRP C C 24 176.578 176.578 176.348 0.230 18225 482 1 2 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.446 0.865 18225 483 1 2 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.925 -0.739 18225 484 1 2 . 1 1 24 24 TRP H H 24 8.034 8.034 7.526 0.508 18225 485 1 2 . 1 1 25 25 LYS N N 25 119.430 119.430 119.441 -0.011 18225 486 1 2 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.700 1.345 18225 487 1 2 . 1 1 25 25 LYS C C 25 176.798 176.798 175.392 1.406 18225 488 1 2 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.431 0.331 18225 489 1 2 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.720 1.689 18225 490 1 2 . 1 1 25 25 LYS H H 25 7.880 7.880 6.406 1.474 18225 491 1 2 . 1 1 26 26 SER N N 26 113.780 113.780 114.365 -0.585 18225 492 1 2 . 1 1 26 26 SER HA H 26 4.461 4.461 4.538 -0.077 18225 493 1 2 . 1 1 26 26 SER C C 26 174.957 174.957 174.226 0.731 18225 494 1 2 . 1 1 26 26 SER CA C 26 58.760 58.760 57.560 1.200 18225 495 1 2 . 1 1 26 26 SER CB C 26 63.889 63.889 65.299 -1.410 18225 496 1 2 . 1 1 26 26 SER H H 26 7.893 7.893 7.828 0.065 18225 497 1 2 . 1 1 27 27 SER N N 27 116.730 116.730 121.290 -4.560 18225 498 1 2 . 1 1 27 27 SER HA H 27 4.328 4.328 4.482 -0.154 18225 499 1 2 . 1 1 27 27 SER C C 27 175.563 175.563 174.446 1.117 18225 500 1 2 . 1 1 27 27 SER CA C 27 59.856 59.856 57.702 2.154 18225 501 1 2 . 1 1 27 27 SER CB C 27 63.819 63.819 60.782 3.037 18225 502 1 2 . 1 1 27 27 SER H H 27 8.137 8.137 8.932 -0.795 18225 503 1 2 . 1 1 28 28 GLY N N 28 110.734 110.734 110.201 0.533 18225 504 1 2 . 1 1 28 28 GLY C C 28 174.314 174.314 173.655 0.659 18225 505 1 2 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.121 1.004 18225 506 1 2 . 1 1 28 28 GLY H H 28 8.477 8.477 7.690 0.787 18225 507 1 2 . 1 1 29 29 ALA N N 29 121.690 121.690 118.594 3.096 18225 508 1 2 . 1 1 29 29 ALA HA H 29 4.289 4.289 3.943 0.346 18225 509 1 2 . 1 1 29 29 ALA C C 29 177.330 177.330 176.557 0.773 18225 510 1 2 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.699 0.475 18225 511 1 2 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.631 2.253 18225 512 1 2 . 1 1 29 29 ALA H H 29 8.189 8.189 7.971 0.218 18225 513 1 2 . 1 1 30 30 LEU N N 30 117.292 117.292 119.022 -1.730 18225 514 1 2 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.482 -0.403 18225 515 1 2 . 1 1 30 30 LEU C C 30 177.377 177.377 177.770 -0.393 18225 516 1 2 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.205 3.029 18225 517 1 2 . 1 1 30 30 LEU CB C 30 42.414 42.414 41.694 0.720 18225 518 1 2 . 1 1 30 30 LEU H H 30 7.873 7.873 8.246 -0.373 18225 519 1 2 . 1 1 31 31 ILE N N 31 116.517 116.517 120.349 -3.832 18225 520 1 2 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.474 -0.591 18225 521 1 2 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.412 2.854 18225 522 1 2 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.606 0.150 18225 523 1 2 . 1 1 31 31 ILE H H 31 8.262 8.262 8.086 0.176 18225 524 1 2 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.431 -0.219 18225 525 1 2 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.064 0.929 18225 526 1 2 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.730 0.262 18225 527 1 2 . 1 1 33 33 ALA N N 33 118.208 118.208 117.809 0.399 18225 528 1 2 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.401 -0.335 18225 529 1 2 . 1 1 33 33 ALA C C 33 178.814 178.814 178.342 0.472 18225 530 1 2 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.705 2.984 18225 531 1 2 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.880 -1.501 18225 532 1 2 . 1 1 33 33 ALA H H 33 7.613 7.613 7.367 0.246 18225 533 1 2 . 1 1 34 34 ILE N N 34 117.730 117.730 121.242 -3.512 18225 534 1 2 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.603 0.062 18225 535 1 2 . 1 1 34 34 ILE C C 34 177.826 177.826 177.392 0.434 18225 536 1 2 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.954 -0.800 18225 537 1 2 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.288 -1.006 18225 538 1 2 . 1 1 34 34 ILE H H 34 8.259 8.259 7.645 0.614 18225 539 1 2 . 1 1 35 35 TYR N N 35 118.693 118.693 118.502 0.191 18225 540 1 2 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.183 -0.090 18225 541 1 2 . 1 1 35 35 TYR C C 35 177.885 177.885 177.000 0.885 18225 542 1 2 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.565 1.073 18225 543 1 2 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.298 -0.374 18225 544 1 2 . 1 1 35 35 TYR H H 35 8.347 8.347 7.660 0.687 18225 545 1 2 . 1 1 36 36 MET N N 36 117.356 117.356 118.809 -1.453 18225 546 1 2 . 1 1 36 36 MET HA H 36 4.220 4.220 3.671 0.549 18225 547 1 2 . 1 1 36 36 MET C C 36 177.903 177.903 177.985 -0.082 18225 548 1 2 . 1 1 36 36 MET CA C 36 58.653 58.653 58.096 0.557 18225 549 1 2 . 1 1 36 36 MET CB C 36 32.172 32.172 32.571 -0.399 18225 550 1 2 . 1 1 36 36 MET H H 36 8.252 8.252 7.605 0.647 18225 551 1 2 . 1 1 37 37 LEU N N 37 119.978 119.978 119.316 0.662 18225 552 1 2 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.133 -0.105 18225 553 1 2 . 1 1 37 37 LEU C C 37 178.393 178.393 178.841 -0.448 18225 554 1 2 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.102 1.540 18225 555 1 2 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.861 0.128 18225 556 1 2 . 1 1 37 37 LEU H H 37 8.301 8.301 8.361 -0.060 18225 557 1 2 . 1 1 38 38 VAL N N 38 117.991 117.991 119.941 -1.950 18225 558 1 2 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.561 -0.059 18225 559 1 2 . 1 1 38 38 VAL C C 38 177.962 177.962 176.943 1.019 18225 560 1 2 . 1 1 38 38 VAL CA C 38 67.155 67.155 66.332 0.823 18225 561 1 2 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.497 -0.081 18225 562 1 2 . 1 1 38 38 VAL H H 38 8.414 8.414 7.437 0.977 18225 563 1 2 . 1 1 39 39 PHE N N 39 119.830 119.830 118.927 0.903 18225 564 1 2 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.135 0.043 18225 565 1 2 . 1 1 39 39 PHE C C 39 178.233 178.233 175.000 3.233 18225 566 1 2 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.412 1.091 18225 567 1 2 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.694 -0.636 18225 568 1 2 . 1 1 39 39 PHE H H 39 8.337 8.337 7.397 0.940 18225 569 1 2 . 1 1 40 40 LEU N N 40 119.985 119.985 111.054 8.931 18225 570 1 2 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.766 -0.800 18225 571 1 2 . 1 1 40 40 LEU C C 40 179.279 179.279 176.013 3.266 18225 572 1 2 . 1 1 40 40 LEU CA C 40 57.872 57.872 53.853 4.019 18225 573 1 2 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.705 -0.318 18225 574 1 2 . 1 1 40 40 LEU H H 40 8.603 8.603 7.663 0.940 18225 575 1 2 . 1 1 41 41 LEU N N 41 118.649 118.649 120.872 -2.223 18225 576 1 2 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.527 -0.483 18225 577 1 2 . 1 1 41 41 LEU C C 41 178.670 178.670 175.890 2.780 18225 578 1 2 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.474 2.209 18225 579 1 2 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.839 -0.908 18225 580 1 2 . 1 1 41 41 LEU H H 41 8.486 8.486 7.355 1.131 18225 581 1 2 . 1 1 42 42 GLY N N 42 105.262 105.262 108.630 -3.368 18225 582 1 2 . 1 1 42 42 GLY C C 42 174.814 174.814 174.350 0.464 18225 583 1 2 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.059 0.346 18225 584 1 2 . 1 1 42 42 GLY H H 42 8.289 8.289 8.259 0.030 18225 585 1 2 . 1 1 43 43 THR N N 43 111.955 111.955 114.519 -2.564 18225 586 1 2 . 1 1 43 43 THR HA H 43 4.243 4.243 4.445 -0.202 18225 587 1 2 . 1 1 43 43 THR C C 43 175.888 175.888 175.331 0.557 18225 588 1 2 . 1 1 43 43 THR CA C 43 63.505 63.505 63.217 0.288 18225 589 1 2 . 1 1 43 43 THR CB C 43 69.598 69.598 70.702 -1.104 18225 590 1 2 . 1 1 43 43 THR H H 43 7.891 7.891 7.894 -0.003 18225 591 1 2 . 1 1 44 44 THR N N 44 111.997 111.997 117.978 -5.981 18225 592 1 2 . 1 1 44 44 THR HA H 44 4.320 4.320 3.805 0.515 18225 593 1 2 . 1 1 44 44 THR C C 44 175.543 175.543 176.087 -0.544 18225 594 1 2 . 1 1 44 44 THR CA C 44 63.009 63.009 66.453 -3.444 18225 595 1 2 . 1 1 44 44 THR CB C 44 69.881 69.881 68.770 1.111 18225 596 1 2 . 1 1 44 44 THR H H 44 7.740 7.740 7.660 0.080 18225 597 1 2 . 1 1 45 45 GLY N N 45 109.564 109.564 109.130 0.434 18225 598 1 2 . 1 1 45 45 GLY C C 45 174.928 174.928 174.649 0.279 18225 599 1 2 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.318 0.102 18225 600 1 2 . 1 1 45 45 GLY H H 45 8.243 8.243 8.469 -0.226 18225 601 1 2 . 1 1 46 46 ASN N N 46 117.851 117.851 119.085 -1.234 18225 602 1 2 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.731 -0.014 18225 603 1 2 . 1 1 46 46 ASN C C 46 176.127 176.127 174.232 1.895 18225 604 1 2 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.155 1.459 18225 605 1 2 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.237 0.074 18225 606 1 2 . 1 1 46 46 ASN H H 46 8.170 8.170 7.852 0.318 18225 607 1 2 . 1 1 47 47 GLY N N 47 108.287 108.287 111.806 -3.519 18225 608 1 2 . 1 1 47 47 GLY C C 47 174.612 174.612 173.290 1.322 18225 609 1 2 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.335 1.906 18225 610 1 2 . 1 1 47 47 GLY H H 47 8.663 8.663 8.671 -0.008 18225 611 1 2 . 1 1 48 48 LEU N N 48 120.479 120.479 120.153 0.326 18225 612 1 2 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.625 -0.357 18225 613 1 2 . 1 1 48 48 LEU C C 48 179.407 179.407 178.313 1.094 18225 614 1 2 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.068 1.524 18225 615 1 2 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.090 -0.352 18225 616 1 2 . 1 1 48 48 LEU H H 48 8.149 8.149 7.689 0.460 18225 617 1 2 . 1 1 49 49 VAL N N 49 119.968 119.968 119.683 0.285 18225 618 1 2 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.846 -0.030 18225 619 1 2 . 1 1 49 49 VAL C C 49 177.444 177.444 176.392 1.052 18225 620 1 2 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.222 0.721 18225 621 1 2 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.713 -0.035 18225 622 1 2 . 1 1 49 49 VAL H H 49 7.969 7.969 8.115 -0.146 18225 623 1 2 . 1 1 50 50 LEU N N 50 119.329 119.329 117.201 2.128 18225 624 1 2 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.501 -0.489 18225 625 1 2 . 1 1 50 50 LEU C C 50 178.085 178.085 178.037 0.048 18225 626 1 2 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.995 1.922 18225 627 1 2 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.344 -0.638 18225 628 1 2 . 1 1 50 50 LEU H H 50 7.814 7.814 7.676 0.138 18225 629 1 2 . 1 1 51 51 TRP N N 51 118.186 118.186 122.534 -4.348 18225 630 1 2 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.580 -0.091 18225 631 1 2 . 1 1 51 51 TRP C C 51 177.377 177.377 177.696 -0.319 18225 632 1 2 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.327 -0.269 18225 633 1 2 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.876 -0.095 18225 634 1 2 . 1 1 51 51 TRP H H 51 8.125 8.125 8.538 -0.413 18225 635 1 2 . 1 1 52 52 THR N N 52 113.180 113.180 115.621 -2.441 18225 636 1 2 . 1 1 52 52 THR HA H 52 3.787 3.787 2.312 1.475 18225 637 1 2 . 1 1 52 52 THR C C 52 176.309 176.309 176.446 -0.137 18225 638 1 2 . 1 1 52 52 THR CA C 52 66.473 66.473 66.325 0.148 18225 639 1 2 . 1 1 52 52 THR CB C 52 68.865 68.865 67.846 1.019 18225 640 1 2 . 1 1 52 52 THR H H 52 8.079 8.079 7.873 0.206 18225 641 1 2 . 1 1 53 53 VAL N N 53 119.953 119.953 119.673 0.280 18225 642 1 2 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.651 -0.003 18225 643 1 2 . 1 1 53 53 VAL C C 53 177.252 177.252 177.121 0.131 18225 644 1 2 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.419 0.667 18225 645 1 2 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.749 -0.045 18225 646 1 2 . 1 1 53 53 VAL H H 53 7.913 7.913 7.835 0.078 18225 647 1 2 . 1 1 54 54 PHE N N 54 118.204 118.204 119.500 -1.296 18225 648 1 2 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.125 0.122 18225 649 1 2 . 1 1 54 54 PHE C C 54 177.144 177.144 176.487 0.657 18225 650 1 2 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.940 -0.486 18225 651 1 2 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.134 -0.018 18225 652 1 2 . 1 1 54 54 PHE H H 54 8.030 8.030 7.978 0.052 18225 653 1 2 . 1 1 55 55 ARG N N 55 117.725 117.725 116.741 0.984 18225 654 1 2 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.221 -0.337 18225 655 1 2 . 1 1 55 55 ARG C C 55 177.443 177.443 178.069 -0.626 18225 656 1 2 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.835 0.719 18225 657 1 2 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.988 -0.181 18225 658 1 2 . 1 1 55 55 ARG H H 55 8.034 8.034 7.635 0.399 18225 659 1 2 . 1 1 56 56 LYS N N 56 118.622 118.622 119.735 -1.113 18225 660 1 2 . 1 1 56 56 LYS HA H 56 4.164 4.164 3.982 0.182 18225 661 1 2 . 1 1 56 56 LYS C C 56 177.418 177.418 177.544 -0.126 18225 662 1 2 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.043 -0.526 18225 663 1 2 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.917 0.891 18225 664 1 2 . 1 1 56 56 LYS H H 56 7.804 7.804 7.469 0.335 18225 665 1 2 . 1 1 57 57 LYS N N 57 118.937 118.937 116.704 2.233 18225 666 1 2 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.937 0.321 18225 667 1 2 . 1 1 57 57 LYS C C 57 177.029 177.029 177.717 -0.688 18225 668 1 2 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.968 -1.358 18225 669 1 2 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.696 0.182 18225 670 1 2 . 1 1 57 57 LYS H H 57 7.974 7.974 7.411 0.563 18225 671 1 2 . 1 1 58 58 GLY N N 58 107.785 107.785 106.414 1.371 18225 672 1 2 . 1 1 58 58 GLY C C 58 173.543 173.543 175.259 -1.716 18225 673 1 2 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.115 0.358 18225 674 1 2 . 1 1 58 58 GLY H H 58 8.136 8.136 7.987 0.149 18225 675 1 2 . 1 1 59 59 HIS N N 59 117.024 117.024 121.212 -4.188 18225 676 1 2 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.452 0.170 18225 677 1 2 . 1 1 59 59 HIS C C 59 174.183 174.183 174.844 -0.661 18225 678 1 2 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.902 -1.621 18225 679 1 2 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.754 -0.673 18225 680 1 2 . 1 1 59 59 HIS H H 59 8.163 8.163 8.200 -0.037 18225 681 1 2 . 1 1 60 60 HIS N N 60 118.841 118.841 118.937 -0.096 18225 682 1 2 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.569 0.061 18225 683 1 2 . 1 1 60 60 HIS C C 60 174.157 174.157 172.853 1.304 18225 684 1 2 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.303 -0.963 18225 685 1 2 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.655 -1.551 18225 686 1 2 . 1 1 60 60 HIS H H 60 8.507 8.507 8.268 0.239 18225 687 1 2 . 1 1 61 61 HIS N N 61 119.636 119.636 116.019 3.617 18225 688 1 2 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.477 0.177 18225 689 1 2 . 1 1 61 61 HIS C C 61 174.095 174.095 173.603 0.492 18225 690 1 2 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.211 -0.882 18225 691 1 2 . 1 1 61 61 HIS CB C 61 29.234 29.234 32.159 -2.925 18225 692 1 2 . 1 1 61 61 HIS H H 61 8.613 8.613 8.336 0.277 18225 693 1 2 . 1 1 62 62 HIS N N 62 120.286 120.286 125.724 -5.438 18225 694 1 2 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.939 -0.279 18225 695 1 2 . 1 1 62 62 HIS C C 62 173.928 173.928 173.998 -0.070 18225 696 1 2 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.623 -1.267 18225 697 1 2 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.750 -0.420 18225 698 1 2 . 1 1 62 62 HIS H H 62 8.680 8.680 8.730 -0.050 18225 699 1 2 . 1 1 63 63 HIS N N 63 120.408 120.408 122.518 -2.110 18225 700 1 2 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.691 -0.042 18225 701 1 2 . 1 1 63 63 HIS C C 63 173.437 173.437 174.589 -1.152 18225 702 1 2 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.549 -0.985 18225 703 1 2 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.268 0.214 18225 704 1 2 . 1 1 63 63 HIS H H 63 8.541 8.541 8.540 0.001 18225 705 1 3 . 1 1 2 2 GLU N N 2 123.432 123.432 122.926 0.506 18225 706 1 3 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.296 0.113 18225 707 1 3 . 1 1 2 2 GLU C C 2 175.510 175.510 175.556 -0.046 18225 708 1 3 . 1 1 2 2 GLU CA C 2 56.216 56.216 55.802 0.414 18225 709 1 3 . 1 1 2 2 GLU CB C 2 29.538 29.538 27.983 1.555 18225 710 1 3 . 1 1 2 2 GLU H H 2 8.824 8.824 8.653 0.171 18225 711 1 3 . 1 1 3 3 GLU N N 3 121.813 121.813 120.221 1.592 18225 712 1 3 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.143 0.235 18225 713 1 3 . 1 1 3 3 GLU C C 3 176.299 176.299 177.676 -1.377 18225 714 1 3 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.925 -0.633 18225 715 1 3 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.106 -0.654 18225 716 1 3 . 1 1 3 3 GLU H H 3 8.546 8.546 7.671 0.875 18225 717 1 3 . 1 1 4 4 GLY N N 4 109.619 109.619 111.698 -2.079 18225 718 1 3 . 1 1 4 4 GLY C C 4 174.449 174.449 173.912 0.537 18225 719 1 3 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.528 0.002 18225 720 1 3 . 1 1 4 4 GLY H H 4 8.463 8.463 8.880 -0.417 18225 721 1 3 . 1 1 5 5 GLY N N 5 108.241 108.241 106.914 1.327 18225 722 1 3 . 1 1 5 5 GLY C C 5 173.965 173.965 173.239 0.726 18225 723 1 3 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.078 0.374 18225 724 1 3 . 1 1 5 5 GLY H H 5 8.220 8.220 7.738 0.482 18225 725 1 3 . 1 1 6 6 ASP N N 6 119.184 119.184 119.546 -0.362 18225 726 1 3 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.393 0.205 18225 727 1 3 . 1 1 6 6 ASP C C 6 175.801 175.801 176.835 -1.034 18225 728 1 3 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.925 -2.013 18225 729 1 3 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.357 -2.022 18225 730 1 3 . 1 1 6 6 ASP H H 6 8.329 8.329 8.398 -0.069 18225 731 1 3 . 1 1 7 7 PHE N N 7 119.589 119.589 116.398 3.191 18225 732 1 3 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.665 -0.185 18225 733 1 3 . 1 1 7 7 PHE C C 7 175.881 175.881 174.882 0.999 18225 734 1 3 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.072 0.749 18225 735 1 3 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.314 -1.232 18225 736 1 3 . 1 1 7 7 PHE H H 7 8.342 8.342 7.564 0.778 18225 737 1 3 . 1 1 8 8 ASP N N 8 118.430 118.430 120.671 -2.241 18225 738 1 3 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.269 1.187 18225 739 1 3 . 1 1 8 8 ASP C C 8 175.642 175.642 175.184 0.458 18225 740 1 3 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.440 0.163 18225 741 1 3 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.005 -2.421 18225 742 1 3 . 1 1 8 8 ASP H H 8 8.223 8.223 7.545 0.678 18225 743 1 3 . 1 1 9 9 ASN N N 9 117.097 117.097 117.603 -0.506 18225 744 1 3 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.556 0.003 18225 745 1 3 . 1 1 9 9 ASN C C 9 175.264 175.264 175.727 -0.463 18225 746 1 3 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.656 0.188 18225 747 1 3 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.941 -0.226 18225 748 1 3 . 1 1 9 9 ASN H H 9 8.069 8.069 8.168 -0.099 18225 749 1 3 . 1 1 10 10 TYR N N 10 119.007 119.007 118.742 0.265 18225 750 1 3 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.239 0.110 18225 751 1 3 . 1 1 10 10 TYR C C 10 175.387 175.387 176.792 -1.405 18225 752 1 3 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.373 -1.179 18225 753 1 3 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.230 0.598 18225 754 1 3 . 1 1 10 10 TYR H H 10 7.901 7.901 7.499 0.402 18225 755 1 3 . 1 1 11 11 TYR N N 11 117.992 117.992 117.083 0.909 18225 756 1 3 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.104 0.339 18225 757 1 3 . 1 1 11 11 TYR C C 11 175.765 175.765 176.813 -1.048 18225 758 1 3 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.002 -0.630 18225 759 1 3 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.772 1.022 18225 760 1 3 . 1 1 11 11 TYR H H 11 7.885 7.885 7.728 0.157 18225 761 1 3 . 1 1 12 12 GLY N N 12 108.601 108.601 106.788 1.813 18225 762 1 3 . 1 1 12 12 GLY C C 12 173.934 173.934 173.777 0.157 18225 763 1 3 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.449 0.040 18225 764 1 3 . 1 1 12 12 GLY H H 12 7.861 7.861 8.649 -0.788 18225 765 1 3 . 1 1 13 13 ALA N N 13 122.926 122.926 122.178 0.748 18225 766 1 3 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.944 0.335 18225 767 1 3 . 1 1 13 13 ALA C C 13 177.457 177.457 177.430 0.027 18225 768 1 3 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.744 0.038 18225 769 1 3 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.104 1.343 18225 770 1 3 . 1 1 13 13 ALA H H 13 7.985 7.985 7.468 0.517 18225 771 1 3 . 1 1 14 14 ASP N N 14 117.380 117.380 120.852 -3.472 18225 772 1 3 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.312 0.328 18225 773 1 3 . 1 1 14 14 ASP C C 14 175.428 175.428 177.971 -2.543 18225 774 1 3 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.937 -3.265 18225 775 1 3 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.749 -1.384 18225 776 1 3 . 1 1 14 14 ASP H H 14 8.330 8.330 8.733 -0.403 18225 777 1 3 . 1 1 15 15 ASN N N 15 118.465 118.465 117.006 1.459 18225 778 1 3 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.438 0.201 18225 779 1 3 . 1 1 15 15 ASN C C 15 175.467 175.467 176.895 -1.428 18225 780 1 3 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.611 -1.954 18225 781 1 3 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.620 0.348 18225 782 1 3 . 1 1 15 15 ASN H H 15 8.207 8.207 8.343 -0.136 18225 783 1 3 . 1 1 16 16 GLN N N 16 119.741 119.741 118.132 1.609 18225 784 1 3 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.480 -0.165 18225 785 1 3 . 1 1 16 16 GLN C C 16 176.350 176.350 175.098 1.252 18225 786 1 3 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.135 1.505 18225 787 1 3 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.334 0.762 18225 788 1 3 . 1 1 16 16 GLN H H 16 8.292 8.292 7.780 0.512 18225 789 1 3 . 1 1 17 17 SER N N 17 115.772 115.772 115.662 0.110 18225 790 1 3 . 1 1 17 17 SER HA H 17 4.390 4.390 4.677 -0.287 18225 791 1 3 . 1 1 17 17 SER C C 17 174.799 174.799 172.894 1.905 18225 792 1 3 . 1 1 17 17 SER CA C 17 59.165 59.165 56.913 2.252 18225 793 1 3 . 1 1 17 17 SER CB C 17 63.651 63.651 65.801 -2.150 18225 794 1 3 . 1 1 17 17 SER H H 17 8.224 8.224 7.885 0.339 18225 795 1 3 . 1 1 18 18 GLU N N 18 121.211 121.211 122.543 -1.332 18225 796 1 3 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.308 0.010 18225 797 1 3 . 1 1 18 18 GLU C C 18 176.201 176.201 175.907 0.294 18225 798 1 3 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.716 -0.991 18225 799 1 3 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.640 -0.675 18225 800 1 3 . 1 1 18 18 GLU H H 18 8.285 8.285 8.576 -0.291 18225 801 1 3 . 1 1 19 19 CYS N N 19 118.653 118.653 123.555 -4.902 18225 802 1 3 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.468 -0.045 18225 803 1 3 . 1 1 19 19 CYS C C 19 174.698 174.698 175.061 -0.363 18225 804 1 3 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.827 -0.752 18225 805 1 3 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.953 -1.103 18225 806 1 3 . 1 1 19 19 CYS H H 19 8.202 8.202 8.649 -0.447 18225 807 1 3 . 1 1 20 20 GLU N N 20 121.851 121.851 118.810 3.041 18225 808 1 3 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.368 -0.103 18225 809 1 3 . 1 1 20 20 GLU C C 20 176.100 176.100 175.855 0.245 18225 810 1 3 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.792 0.030 18225 811 1 3 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.433 -1.457 18225 812 1 3 . 1 1 20 20 GLU H H 20 8.349 8.349 8.507 -0.158 18225 813 1 3 . 1 1 21 21 TYR N N 21 118.491 118.491 120.379 -1.888 18225 814 1 3 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.646 -0.228 18225 815 1 3 . 1 1 21 21 TYR C C 21 175.881 175.881 175.244 0.637 18225 816 1 3 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.667 0.064 18225 817 1 3 . 1 1 21 21 TYR CB C 21 38.626 38.626 36.292 2.334 18225 818 1 3 . 1 1 21 21 TYR H H 21 7.974 7.974 8.039 -0.065 18225 819 1 3 . 1 1 22 22 THR N N 22 112.161 112.161 113.339 -1.178 18225 820 1 3 . 1 1 22 22 THR HA H 22 4.105 4.105 4.232 -0.127 18225 821 1 3 . 1 1 22 22 THR C C 22 174.666 174.666 174.778 -0.112 18225 822 1 3 . 1 1 22 22 THR CA C 22 63.190 63.190 62.910 0.280 18225 823 1 3 . 1 1 22 22 THR CB C 22 69.306 69.306 69.775 -0.469 18225 824 1 3 . 1 1 22 22 THR H H 22 7.747 7.747 8.274 -0.527 18225 825 1 3 . 1 1 23 23 ASP N N 23 120.529 120.529 123.395 -2.866 18225 826 1 3 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.506 0.148 18225 827 1 3 . 1 1 23 23 ASP C C 23 176.119 176.119 177.203 -1.084 18225 828 1 3 . 1 1 23 23 ASP CA C 23 53.903 53.903 57.642 -3.739 18225 829 1 3 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.675 -1.537 18225 830 1 3 . 1 1 23 23 ASP H H 23 8.114 8.114 7.946 0.168 18225 831 1 3 . 1 1 24 24 TRP N N 24 121.466 121.466 119.234 2.232 18225 832 1 3 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.463 0.013 18225 833 1 3 . 1 1 24 24 TRP C C 24 176.578 176.578 175.639 0.939 18225 834 1 3 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.328 1.983 18225 835 1 3 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.234 -0.048 18225 836 1 3 . 1 1 24 24 TRP H H 24 8.034 8.034 7.825 0.209 18225 837 1 3 . 1 1 25 25 LYS N N 25 119.430 119.430 121.456 -2.026 18225 838 1 3 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.734 1.311 18225 839 1 3 . 1 1 25 25 LYS C C 25 176.798 176.798 175.978 0.820 18225 840 1 3 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.423 1.338 18225 841 1 3 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.552 -0.143 18225 842 1 3 . 1 1 25 25 LYS H H 25 7.880 7.880 7.150 0.730 18225 843 1 3 . 1 1 26 26 SER N N 26 113.780 113.780 121.339 -7.559 18225 844 1 3 . 1 1 26 26 SER HA H 26 4.461 4.461 4.219 0.242 18225 845 1 3 . 1 1 26 26 SER C C 26 174.957 174.957 174.574 0.383 18225 846 1 3 . 1 1 26 26 SER CA C 26 58.760 58.760 59.543 -0.783 18225 847 1 3 . 1 1 26 26 SER CB C 26 63.889 63.889 63.550 0.339 18225 848 1 3 . 1 1 26 26 SER H H 26 7.893 7.893 7.898 -0.005 18225 849 1 3 . 1 1 27 27 SER N N 27 116.730 116.730 116.595 0.135 18225 850 1 3 . 1 1 27 27 SER HA H 27 4.328 4.328 4.232 0.096 18225 851 1 3 . 1 1 27 27 SER C C 27 175.563 175.563 173.934 1.629 18225 852 1 3 . 1 1 27 27 SER CA C 27 59.856 59.856 59.425 0.431 18225 853 1 3 . 1 1 27 27 SER CB C 27 63.819 63.819 62.636 1.183 18225 854 1 3 . 1 1 27 27 SER H H 27 8.137 8.137 8.182 -0.045 18225 855 1 3 . 1 1 28 28 GLY N N 28 110.734 110.734 106.228 4.506 18225 856 1 3 . 1 1 28 28 GLY C C 28 174.314 174.314 173.517 0.797 18225 857 1 3 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.958 1.167 18225 858 1 3 . 1 1 28 28 GLY H H 28 8.477 8.477 7.912 0.565 18225 859 1 3 . 1 1 29 29 ALA N N 29 121.690 121.690 122.739 -1.049 18225 860 1 3 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.649 -0.360 18225 861 1 3 . 1 1 29 29 ALA C C 29 177.330 177.330 178.347 -1.017 18225 862 1 3 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.409 -0.235 18225 863 1 3 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.328 0.557 18225 864 1 3 . 1 1 29 29 ALA H H 29 8.189 8.189 8.095 0.094 18225 865 1 3 . 1 1 30 30 LEU N N 30 117.292 117.292 115.556 1.736 18225 866 1 3 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.836 -0.757 18225 867 1 3 . 1 1 30 30 LEU C C 30 177.377 177.377 177.268 0.109 18225 868 1 3 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.597 2.637 18225 869 1 3 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.117 0.297 18225 870 1 3 . 1 1 30 30 LEU H H 30 7.873 7.873 8.054 -0.181 18225 871 1 3 . 1 1 31 31 ILE N N 31 116.517 116.517 120.879 -4.362 18225 872 1 3 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.350 -0.467 18225 873 1 3 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.661 2.605 18225 874 1 3 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.796 -0.040 18225 875 1 3 . 1 1 31 31 ILE H H 31 8.262 8.262 8.150 0.112 18225 876 1 3 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.365 -0.153 18225 877 1 3 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.296 0.697 18225 878 1 3 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.919 0.073 18225 879 1 3 . 1 1 33 33 ALA N N 33 118.208 118.208 119.643 -1.435 18225 880 1 3 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.314 -0.248 18225 881 1 3 . 1 1 33 33 ALA C C 33 178.814 178.814 179.134 -0.320 18225 882 1 3 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.673 2.016 18225 883 1 3 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.569 -1.190 18225 884 1 3 . 1 1 33 33 ALA H H 33 7.613 7.613 7.447 0.166 18225 885 1 3 . 1 1 34 34 ILE N N 34 117.730 117.730 120.002 -2.272 18225 886 1 3 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.658 0.007 18225 887 1 3 . 1 1 34 34 ILE C C 34 177.826 177.826 177.394 0.432 18225 888 1 3 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.552 -0.398 18225 889 1 3 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.078 -0.794 18225 890 1 3 . 1 1 34 34 ILE H H 34 8.259 8.259 7.337 0.922 18225 891 1 3 . 1 1 35 35 TYR N N 35 118.693 118.693 118.070 0.623 18225 892 1 3 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.064 0.029 18225 893 1 3 . 1 1 35 35 TYR C C 35 177.885 177.885 177.357 0.528 18225 894 1 3 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.206 0.432 18225 895 1 3 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.571 -0.646 18225 896 1 3 . 1 1 35 35 TYR H H 35 8.347 8.347 7.696 0.651 18225 897 1 3 . 1 1 36 36 MET N N 36 117.356 117.356 117.527 -0.171 18225 898 1 3 . 1 1 36 36 MET HA H 36 4.220 4.220 4.174 0.046 18225 899 1 3 . 1 1 36 36 MET C C 36 177.903 177.903 178.073 -0.170 18225 900 1 3 . 1 1 36 36 MET CA C 36 58.653 58.653 57.926 0.727 18225 901 1 3 . 1 1 36 36 MET CB C 36 32.172 32.172 32.629 -0.457 18225 902 1 3 . 1 1 36 36 MET H H 36 8.252 8.252 7.914 0.338 18225 903 1 3 . 1 1 37 37 LEU N N 37 119.978 119.978 116.302 3.676 18225 904 1 3 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.226 -0.198 18225 905 1 3 . 1 1 37 37 LEU C C 37 178.393 178.393 176.887 1.506 18225 906 1 3 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.581 3.061 18225 907 1 3 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.138 1.851 18225 908 1 3 . 1 1 37 37 LEU H H 37 8.301 8.301 8.191 0.110 18225 909 1 3 . 1 1 38 38 VAL N N 38 117.991 117.991 115.472 2.519 18225 910 1 3 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.121 -0.619 18225 911 1 3 . 1 1 38 38 VAL C C 38 177.962 177.962 175.915 2.047 18225 912 1 3 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.876 4.279 18225 913 1 3 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.165 -2.750 18225 914 1 3 . 1 1 38 38 VAL H H 38 8.414 8.414 7.779 0.635 18225 915 1 3 . 1 1 39 39 PHE N N 39 119.830 119.830 121.273 -1.443 18225 916 1 3 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.213 -0.035 18225 917 1 3 . 1 1 39 39 PHE C C 39 178.233 178.233 175.715 2.518 18225 918 1 3 . 1 1 39 39 PHE CA C 39 61.503 61.503 59.992 1.512 18225 919 1 3 . 1 1 39 39 PHE CB C 39 39.058 39.058 40.300 -1.242 18225 920 1 3 . 1 1 39 39 PHE H H 39 8.337 8.337 7.390 0.947 18225 921 1 3 . 1 1 40 40 LEU N N 40 119.985 119.985 113.255 6.730 18225 922 1 3 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.001 -0.035 18225 923 1 3 . 1 1 40 40 LEU C C 40 179.279 179.279 176.641 2.638 18225 924 1 3 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.452 2.420 18225 925 1 3 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.186 0.201 18225 926 1 3 . 1 1 40 40 LEU H H 40 8.603 8.603 7.090 1.513 18225 927 1 3 . 1 1 41 41 LEU N N 41 118.649 118.649 117.132 1.517 18225 928 1 3 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.492 -0.448 18225 929 1 3 . 1 1 41 41 LEU C C 41 178.670 178.670 176.735 1.935 18225 930 1 3 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.761 2.922 18225 931 1 3 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.732 -0.801 18225 932 1 3 . 1 1 41 41 LEU H H 41 8.486 8.486 7.620 0.866 18225 933 1 3 . 1 1 42 42 GLY N N 42 105.262 105.262 105.942 -0.680 18225 934 1 3 . 1 1 42 42 GLY C C 42 174.814 174.814 174.142 0.672 18225 935 1 3 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.582 0.823 18225 936 1 3 . 1 1 42 42 GLY H H 42 8.289 8.289 7.633 0.656 18225 937 1 3 . 1 1 43 43 THR N N 43 111.955 111.955 113.015 -1.060 18225 938 1 3 . 1 1 43 43 THR HA H 43 4.243 4.243 4.373 -0.130 18225 939 1 3 . 1 1 43 43 THR C C 43 175.888 175.888 175.138 0.750 18225 940 1 3 . 1 1 43 43 THR CA C 43 63.505 63.505 62.963 0.542 18225 941 1 3 . 1 1 43 43 THR CB C 43 69.598 69.598 69.944 -0.346 18225 942 1 3 . 1 1 43 43 THR H H 43 7.891 7.891 7.660 0.231 18225 943 1 3 . 1 1 44 44 THR N N 44 111.997 111.997 117.199 -5.202 18225 944 1 3 . 1 1 44 44 THR HA H 44 4.320 4.320 4.327 -0.007 18225 945 1 3 . 1 1 44 44 THR C C 44 175.543 175.543 175.271 0.272 18225 946 1 3 . 1 1 44 44 THR CA C 44 63.009 63.009 64.665 -1.656 18225 947 1 3 . 1 1 44 44 THR CB C 44 69.881 69.881 69.081 0.800 18225 948 1 3 . 1 1 44 44 THR H H 44 7.740 7.740 7.831 -0.091 18225 949 1 3 . 1 1 45 45 GLY N N 45 109.564 109.564 108.686 0.878 18225 950 1 3 . 1 1 45 45 GLY C C 45 174.928 174.928 174.138 0.790 18225 951 1 3 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.211 1.209 18225 952 1 3 . 1 1 45 45 GLY H H 45 8.243 8.243 8.464 -0.221 18225 953 1 3 . 1 1 46 46 ASN N N 46 117.851 117.851 115.702 2.149 18225 954 1 3 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.816 -0.099 18225 955 1 3 . 1 1 46 46 ASN C C 46 176.127 176.127 175.773 0.354 18225 956 1 3 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.964 1.650 18225 957 1 3 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.965 0.346 18225 958 1 3 . 1 1 46 46 ASN H H 46 8.170 8.170 7.800 0.370 18225 959 1 3 . 1 1 47 47 GLY N N 47 108.287 108.287 106.898 1.389 18225 960 1 3 . 1 1 47 47 GLY C C 47 174.612 174.612 174.261 0.351 18225 961 1 3 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.199 2.042 18225 962 1 3 . 1 1 47 47 GLY H H 47 8.663 8.663 8.268 0.395 18225 963 1 3 . 1 1 48 48 LEU N N 48 120.479 120.479 118.903 1.576 18225 964 1 3 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.796 -0.528 18225 965 1 3 . 1 1 48 48 LEU C C 48 179.407 179.407 178.045 1.362 18225 966 1 3 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.698 1.894 18225 967 1 3 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.777 -2.039 18225 968 1 3 . 1 1 48 48 LEU H H 48 8.149 8.149 7.643 0.506 18225 969 1 3 . 1 1 49 49 VAL N N 49 119.968 119.968 122.017 -2.049 18225 970 1 3 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.031 -0.215 18225 971 1 3 . 1 1 49 49 VAL C C 49 177.444 177.444 175.429 2.015 18225 972 1 3 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.672 1.271 18225 973 1 3 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.457 0.221 18225 974 1 3 . 1 1 49 49 VAL H H 49 7.969 7.969 8.020 -0.051 18225 975 1 3 . 1 1 50 50 LEU N N 50 119.329 119.329 115.738 3.591 18225 976 1 3 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.838 -0.826 18225 977 1 3 . 1 1 50 50 LEU C C 50 178.085 178.085 175.702 2.383 18225 978 1 3 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.032 2.885 18225 979 1 3 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.529 0.177 18225 980 1 3 . 1 1 50 50 LEU H H 50 7.814 7.814 7.848 -0.034 18225 981 1 3 . 1 1 51 51 TRP N N 51 118.186 118.186 123.813 -5.627 18225 982 1 3 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.941 -0.452 18225 983 1 3 . 1 1 51 51 TRP C C 51 177.377 177.377 177.017 0.360 18225 984 1 3 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.586 0.472 18225 985 1 3 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.964 -1.183 18225 986 1 3 . 1 1 51 51 TRP H H 51 8.125 8.125 8.023 0.102 18225 987 1 3 . 1 1 52 52 THR N N 52 113.180 113.180 113.578 -0.398 18225 988 1 3 . 1 1 52 52 THR HA H 52 3.787 3.787 3.402 0.385 18225 989 1 3 . 1 1 52 52 THR C C 52 176.309 176.309 176.782 -0.473 18225 990 1 3 . 1 1 52 52 THR CA C 52 66.473 66.473 64.409 2.064 18225 991 1 3 . 1 1 52 52 THR CB C 52 68.865 68.865 68.410 0.455 18225 992 1 3 . 1 1 52 52 THR H H 52 8.079 8.079 7.534 0.545 18225 993 1 3 . 1 1 53 53 VAL N N 53 119.953 119.953 121.380 -1.427 18225 994 1 3 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.715 -0.067 18225 995 1 3 . 1 1 53 53 VAL C C 53 177.252 177.252 177.465 -0.213 18225 996 1 3 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.179 0.907 18225 997 1 3 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.432 0.272 18225 998 1 3 . 1 1 53 53 VAL H H 53 7.913 7.913 7.978 -0.065 18225 999 1 3 . 1 1 54 54 PHE N N 54 118.204 118.204 118.117 0.087 18225 1000 1 3 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.227 0.020 18225 1001 1 3 . 1 1 54 54 PHE C C 54 177.144 177.144 175.749 1.395 18225 1002 1 3 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.841 -0.387 18225 1003 1 3 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.886 0.230 18225 1004 1 3 . 1 1 54 54 PHE H H 54 8.030 8.030 8.454 -0.424 18225 1005 1 3 . 1 1 55 55 ARG N N 55 117.725 117.725 116.490 1.235 18225 1006 1 3 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.331 -0.447 18225 1007 1 3 . 1 1 55 55 ARG C C 55 177.443 177.443 176.438 1.005 18225 1008 1 3 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.396 1.158 18225 1009 1 3 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.106 -0.299 18225 1010 1 3 . 1 1 55 55 ARG H H 55 8.034 8.034 7.281 0.753 18225 1011 1 3 . 1 1 56 56 LYS N N 56 118.622 118.622 121.481 -2.859 18225 1012 1 3 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.197 -0.033 18225 1013 1 3 . 1 1 56 56 LYS C C 56 177.418 177.418 177.616 -0.198 18225 1014 1 3 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.385 0.132 18225 1015 1 3 . 1 1 56 56 LYS CB C 56 32.808 32.808 33.084 -0.276 18225 1016 1 3 . 1 1 56 56 LYS H H 56 7.804 7.804 8.205 -0.401 18225 1017 1 3 . 1 1 57 57 LYS N N 57 118.937 118.937 120.421 -1.484 18225 1018 1 3 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.367 -0.109 18225 1019 1 3 . 1 1 57 57 LYS C C 57 177.029 177.029 178.975 -1.946 18225 1020 1 3 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.567 -1.957 18225 1021 1 3 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.386 1.492 18225 1022 1 3 . 1 1 57 57 LYS H H 57 7.974 7.974 7.508 0.466 18225 1023 1 3 . 1 1 58 58 GLY N N 58 107.785 107.785 106.901 0.884 18225 1024 1 3 . 1 1 58 58 GLY C C 58 173.543 173.543 174.650 -1.107 18225 1025 1 3 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.398 -0.925 18225 1026 1 3 . 1 1 58 58 GLY H H 58 8.136 8.136 8.927 -0.791 18225 1027 1 3 . 1 1 59 59 HIS N N 59 117.024 117.024 114.218 2.806 18225 1028 1 3 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.885 -0.263 18225 1029 1 3 . 1 1 59 59 HIS C C 59 174.183 174.183 174.742 -0.559 18225 1030 1 3 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.277 0.004 18225 1031 1 3 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.637 -1.556 18225 1032 1 3 . 1 1 59 59 HIS H H 59 8.163 8.163 8.100 0.063 18225 1033 1 3 . 1 1 60 60 HIS N N 60 118.841 118.841 118.661 0.180 18225 1034 1 3 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.572 0.058 18225 1035 1 3 . 1 1 60 60 HIS C C 60 174.157 174.157 174.735 -0.578 18225 1036 1 3 . 1 1 60 60 HIS CA C 60 55.340 55.340 57.119 -1.779 18225 1037 1 3 . 1 1 60 60 HIS CB C 60 29.104 29.104 32.885 -3.781 18225 1038 1 3 . 1 1 60 60 HIS H H 60 8.507 8.507 8.513 -0.006 18225 1039 1 3 . 1 1 61 61 HIS N N 61 119.636 119.636 118.001 1.635 18225 1040 1 3 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.346 0.308 18225 1041 1 3 . 1 1 61 61 HIS C C 61 174.095 174.095 173.749 0.346 18225 1042 1 3 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.611 -1.282 18225 1043 1 3 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.005 -0.771 18225 1044 1 3 . 1 1 61 61 HIS H H 61 8.613 8.613 8.458 0.155 18225 1045 1 3 . 1 1 62 62 HIS N N 62 120.286 120.286 122.916 -2.630 18225 1046 1 3 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.756 -0.096 18225 1047 1 3 . 1 1 62 62 HIS C C 62 173.928 173.928 174.304 -0.376 18225 1048 1 3 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.532 -0.176 18225 1049 1 3 . 1 1 62 62 HIS CB C 62 29.329 29.329 31.997 -2.668 18225 1050 1 3 . 1 1 62 62 HIS H H 62 8.680 8.680 8.325 0.355 18225 1051 1 3 . 1 1 63 63 HIS N N 63 120.408 120.408 120.389 0.019 18225 1052 1 3 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.496 0.153 18225 1053 1 3 . 1 1 63 63 HIS C C 63 173.437 173.437 174.237 -0.800 18225 1054 1 3 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.064 -0.500 18225 1055 1 3 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.884 -0.401 18225 1056 1 3 . 1 1 63 63 HIS H H 63 8.541 8.541 8.851 -0.310 18225 1057 1 4 . 1 1 2 2 GLU N N 2 123.432 123.432 121.495 1.937 18225 1058 1 4 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.528 -0.119 18225 1059 1 4 . 1 1 2 2 GLU C C 2 175.510 175.510 175.566 -0.056 18225 1060 1 4 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.652 -0.436 18225 1061 1 4 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.358 -0.820 18225 1062 1 4 . 1 1 2 2 GLU H H 2 8.824 8.824 8.309 0.515 18225 1063 1 4 . 1 1 3 3 GLU N N 3 121.813 121.813 120.298 1.515 18225 1064 1 4 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.171 0.207 18225 1065 1 4 . 1 1 3 3 GLU C C 3 176.299 176.299 177.226 -0.927 18225 1066 1 4 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.036 -0.744 18225 1067 1 4 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.991 -0.539 18225 1068 1 4 . 1 1 3 3 GLU H H 3 8.546 8.546 8.364 0.182 18225 1069 1 4 . 1 1 4 4 GLY N N 4 109.619 109.619 108.867 0.752 18225 1070 1 4 . 1 1 4 4 GLY C C 4 174.449 174.449 175.060 -0.611 18225 1071 1 4 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.171 0.359 18225 1072 1 4 . 1 1 4 4 GLY H H 4 8.463 8.463 8.927 -0.464 18225 1073 1 4 . 1 1 5 5 GLY N N 5 108.241 108.241 108.023 0.218 18225 1074 1 4 . 1 1 5 5 GLY C C 5 173.965 173.965 175.300 -1.335 18225 1075 1 4 . 1 1 5 5 GLY CA C 5 45.452 45.452 46.463 -1.011 18225 1076 1 4 . 1 1 5 5 GLY H H 5 8.220 8.220 8.534 -0.314 18225 1077 1 4 . 1 1 6 6 ASP N N 6 119.184 119.184 118.126 1.058 18225 1078 1 4 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.411 0.187 18225 1079 1 4 . 1 1 6 6 ASP C C 6 175.801 175.801 175.514 0.287 18225 1080 1 4 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.850 -0.938 18225 1081 1 4 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.391 -1.056 18225 1082 1 4 . 1 1 6 6 ASP H H 6 8.329 8.329 8.329 0.000 18225 1083 1 4 . 1 1 7 7 PHE N N 7 119.589 119.589 114.130 5.459 18225 1084 1 4 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.732 -0.252 18225 1085 1 4 . 1 1 7 7 PHE C C 7 175.881 175.881 174.177 1.704 18225 1086 1 4 . 1 1 7 7 PHE CA C 7 58.821 58.821 56.663 2.158 18225 1087 1 4 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.292 -0.210 18225 1088 1 4 . 1 1 7 7 PHE H H 7 8.342 8.342 8.016 0.326 18225 1089 1 4 . 1 1 8 8 ASP N N 8 118.430 118.430 122.705 -4.275 18225 1090 1 4 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.893 0.563 18225 1091 1 4 . 1 1 8 8 ASP C C 8 175.642 175.642 175.763 -0.121 18225 1092 1 4 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.401 -0.798 18225 1093 1 4 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.248 -2.664 18225 1094 1 4 . 1 1 8 8 ASP H H 8 8.223 8.223 8.354 -0.131 18225 1095 1 4 . 1 1 9 9 ASN N N 9 117.097 117.097 122.449 -5.352 18225 1096 1 4 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.611 -0.052 18225 1097 1 4 . 1 1 9 9 ASN C C 9 175.264 175.264 176.040 -0.776 18225 1098 1 4 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.529 0.315 18225 1099 1 4 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.935 -0.220 18225 1100 1 4 . 1 1 9 9 ASN H H 9 8.069 8.069 8.080 -0.011 18225 1101 1 4 . 1 1 10 10 TYR N N 10 119.007 119.007 120.546 -1.539 18225 1102 1 4 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.227 0.122 18225 1103 1 4 . 1 1 10 10 TYR C C 10 175.387 175.387 177.688 -2.301 18225 1104 1 4 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.778 -1.584 18225 1105 1 4 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.654 0.173 18225 1106 1 4 . 1 1 10 10 TYR H H 10 7.901 7.901 8.080 -0.179 18225 1107 1 4 . 1 1 11 11 TYR N N 11 117.992 117.992 117.211 0.781 18225 1108 1 4 . 1 1 11 11 TYR HA H 11 4.443 4.443 3.938 0.505 18225 1109 1 4 . 1 1 11 11 TYR C C 11 175.765 175.765 177.865 -2.100 18225 1110 1 4 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.598 -2.226 18225 1111 1 4 . 1 1 11 11 TYR CB C 11 38.794 38.794 36.749 2.045 18225 1112 1 4 . 1 1 11 11 TYR H H 11 7.885 7.885 8.284 -0.399 18225 1113 1 4 . 1 1 12 12 GLY N N 12 108.601 108.601 107.797 0.804 18225 1114 1 4 . 1 1 12 12 GLY C C 12 173.934 173.934 175.324 -1.390 18225 1115 1 4 . 1 1 12 12 GLY CA C 12 45.489 45.489 47.527 -2.038 18225 1116 1 4 . 1 1 12 12 GLY H H 12 7.861 7.861 8.915 -1.054 18225 1117 1 4 . 1 1 13 13 ALA N N 13 122.926 122.926 124.457 -1.531 18225 1118 1 4 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.911 0.368 18225 1119 1 4 . 1 1 13 13 ALA C C 13 177.457 177.457 179.166 -1.709 18225 1120 1 4 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.750 -1.968 18225 1121 1 4 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.411 1.036 18225 1122 1 4 . 1 1 13 13 ALA H H 13 7.985 7.985 8.307 -0.322 18225 1123 1 4 . 1 1 14 14 ASP N N 14 117.380 117.380 118.326 -0.946 18225 1124 1 4 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.245 0.395 18225 1125 1 4 . 1 1 14 14 ASP C C 14 175.428 175.428 178.383 -2.955 18225 1126 1 4 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.195 -2.523 18225 1127 1 4 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.554 -0.189 18225 1128 1 4 . 1 1 14 14 ASP H H 14 8.330 8.330 8.362 -0.032 18225 1129 1 4 . 1 1 15 15 ASN N N 15 118.465 118.465 118.106 0.359 18225 1130 1 4 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.445 0.194 18225 1131 1 4 . 1 1 15 15 ASN C C 15 175.467 175.467 176.840 -1.373 18225 1132 1 4 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.270 -1.613 18225 1133 1 4 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.739 0.229 18225 1134 1 4 . 1 1 15 15 ASN H H 15 8.207 8.207 8.492 -0.285 18225 1135 1 4 . 1 1 16 16 GLN N N 16 119.741 119.741 117.249 2.492 18225 1136 1 4 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.503 -0.188 18225 1137 1 4 . 1 1 16 16 GLN C C 16 176.350 176.350 174.691 1.659 18225 1138 1 4 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.799 0.841 18225 1139 1 4 . 1 1 16 16 GLN CB C 16 29.096 29.096 29.154 -0.058 18225 1140 1 4 . 1 1 16 16 GLN H H 16 8.292 8.292 8.056 0.236 18225 1141 1 4 . 1 1 17 17 SER N N 17 115.772 115.772 116.399 -0.627 18225 1142 1 4 . 1 1 17 17 SER HA H 17 4.390 4.390 4.715 -0.325 18225 1143 1 4 . 1 1 17 17 SER C C 17 174.799 174.799 173.203 1.596 18225 1144 1 4 . 1 1 17 17 SER CA C 17 59.165 59.165 56.888 2.277 18225 1145 1 4 . 1 1 17 17 SER CB C 17 63.651 63.651 65.159 -1.508 18225 1146 1 4 . 1 1 17 17 SER H H 17 8.224 8.224 7.912 0.312 18225 1147 1 4 . 1 1 18 18 GLU N N 18 121.211 121.211 123.238 -2.027 18225 1148 1 4 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.300 0.018 18225 1149 1 4 . 1 1 18 18 GLU C C 18 176.201 176.201 176.180 0.021 18225 1150 1 4 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.956 -1.231 18225 1151 1 4 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.256 -0.291 18225 1152 1 4 . 1 1 18 18 GLU H H 18 8.285 8.285 8.665 -0.380 18225 1153 1 4 . 1 1 19 19 CYS N N 19 118.653 118.653 123.028 -4.375 18225 1154 1 4 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.645 -0.222 18225 1155 1 4 . 1 1 19 19 CYS C C 19 174.698 174.698 175.108 -0.410 18225 1156 1 4 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.729 0.346 18225 1157 1 4 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.927 -2.076 18225 1158 1 4 . 1 1 19 19 CYS H H 19 8.202 8.202 8.730 -0.528 18225 1159 1 4 . 1 1 20 20 GLU N N 20 121.851 121.851 119.118 2.733 18225 1160 1 4 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.627 -0.362 18225 1161 1 4 . 1 1 20 20 GLU C C 20 176.100 176.100 174.482 1.618 18225 1162 1 4 . 1 1 20 20 GLU CA C 20 56.822 56.822 55.703 1.119 18225 1163 1 4 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.750 -1.774 18225 1164 1 4 . 1 1 20 20 GLU H H 20 8.349 8.349 8.198 0.151 18225 1165 1 4 . 1 1 21 21 TYR N N 21 118.491 118.491 117.372 1.119 18225 1166 1 4 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.189 -0.771 18225 1167 1 4 . 1 1 21 21 TYR C C 21 175.881 175.881 175.250 0.631 18225 1168 1 4 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.268 0.463 18225 1169 1 4 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.557 -0.931 18225 1170 1 4 . 1 1 21 21 TYR H H 21 7.974 7.974 8.322 -0.348 18225 1171 1 4 . 1 1 22 22 THR N N 22 112.161 112.161 113.421 -1.260 18225 1172 1 4 . 1 1 22 22 THR HA H 22 4.105 4.105 4.284 -0.179 18225 1173 1 4 . 1 1 22 22 THR C C 22 174.666 174.666 174.803 -0.137 18225 1174 1 4 . 1 1 22 22 THR CA C 22 63.190 63.190 63.675 -0.485 18225 1175 1 4 . 1 1 22 22 THR CB C 22 69.306 69.306 68.939 0.367 18225 1176 1 4 . 1 1 22 22 THR H H 22 7.747 7.747 8.129 -0.382 18225 1177 1 4 . 1 1 23 23 ASP N N 23 120.529 120.529 123.165 -2.636 18225 1178 1 4 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.695 -0.041 18225 1179 1 4 . 1 1 23 23 ASP C C 23 176.119 176.119 176.098 0.021 18225 1180 1 4 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.455 -0.552 18225 1181 1 4 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.040 -0.902 18225 1182 1 4 . 1 1 23 23 ASP H H 23 8.114 8.114 8.594 -0.480 18225 1183 1 4 . 1 1 24 24 TRP N N 24 121.466 121.466 117.775 3.691 18225 1184 1 4 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.884 -0.408 18225 1185 1 4 . 1 1 24 24 TRP C C 24 176.578 176.578 174.943 1.635 18225 1186 1 4 . 1 1 24 24 TRP CA C 24 58.311 58.311 54.831 3.480 18225 1187 1 4 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.457 0.729 18225 1188 1 4 . 1 1 24 24 TRP H H 24 8.034 8.034 7.650 0.384 18225 1189 1 4 . 1 1 25 25 LYS N N 25 119.430 119.430 122.521 -3.091 18225 1190 1 4 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.560 0.485 18225 1191 1 4 . 1 1 25 25 LYS C C 25 176.798 176.798 177.230 -0.432 18225 1192 1 4 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.999 0.762 18225 1193 1 4 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.643 -0.234 18225 1194 1 4 . 1 1 25 25 LYS H H 25 7.880 7.880 7.545 0.335 18225 1195 1 4 . 1 1 26 26 SER N N 26 113.780 113.780 116.841 -3.061 18225 1196 1 4 . 1 1 26 26 SER HA H 26 4.461 4.461 4.057 0.404 18225 1197 1 4 . 1 1 26 26 SER C C 26 174.957 174.957 174.763 0.194 18225 1198 1 4 . 1 1 26 26 SER CA C 26 58.760 58.760 59.916 -1.156 18225 1199 1 4 . 1 1 26 26 SER CB C 26 63.889 63.889 63.764 0.125 18225 1200 1 4 . 1 1 26 26 SER H H 26 7.893 7.893 8.076 -0.183 18225 1201 1 4 . 1 1 27 27 SER N N 27 116.730 116.730 114.604 2.126 18225 1202 1 4 . 1 1 27 27 SER HA H 27 4.328 4.328 4.309 0.019 18225 1203 1 4 . 1 1 27 27 SER C C 27 175.563 175.563 174.208 1.355 18225 1204 1 4 . 1 1 27 27 SER CA C 27 59.856 59.856 58.573 1.283 18225 1205 1 4 . 1 1 27 27 SER CB C 27 63.819 63.819 63.107 0.712 18225 1206 1 4 . 1 1 27 27 SER H H 27 8.137 8.137 8.090 0.047 18225 1207 1 4 . 1 1 28 28 GLY N N 28 110.734 110.734 106.142 4.592 18225 1208 1 4 . 1 1 28 28 GLY C C 28 174.314 174.314 173.861 0.453 18225 1209 1 4 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.855 0.270 18225 1210 1 4 . 1 1 28 28 GLY H H 28 8.477 8.477 8.098 0.379 18225 1211 1 4 . 1 1 29 29 ALA N N 29 121.690 121.690 121.433 0.257 18225 1212 1 4 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.738 -0.449 18225 1213 1 4 . 1 1 29 29 ALA C C 29 177.330 177.330 177.512 -0.182 18225 1214 1 4 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.534 0.640 18225 1215 1 4 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.973 -0.089 18225 1216 1 4 . 1 1 29 29 ALA H H 29 8.189 8.189 7.886 0.303 18225 1217 1 4 . 1 1 30 30 LEU N N 30 117.292 117.292 119.674 -2.382 18225 1218 1 4 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.618 -0.539 18225 1219 1 4 . 1 1 30 30 LEU C C 30 177.377 177.377 177.562 -0.185 18225 1220 1 4 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.269 1.965 18225 1221 1 4 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.363 0.051 18225 1222 1 4 . 1 1 30 30 LEU H H 30 7.873 7.873 8.082 -0.209 18225 1223 1 4 . 1 1 31 31 ILE N N 31 116.517 116.517 119.242 -2.725 18225 1224 1 4 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.433 -0.550 18225 1225 1 4 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.553 2.712 18225 1226 1 4 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.383 0.373 18225 1227 1 4 . 1 1 31 31 ILE H H 31 8.262 8.262 8.089 0.173 18225 1228 1 4 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.354 -0.142 18225 1229 1 4 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.292 0.701 18225 1230 1 4 . 1 1 32 32 PRO CB C 32 30.992 30.992 31.125 -0.133 18225 1231 1 4 . 1 1 33 33 ALA N N 33 118.208 118.208 117.218 0.990 18225 1232 1 4 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.318 -0.252 18225 1233 1 4 . 1 1 33 33 ALA C C 33 178.814 178.814 178.970 -0.156 18225 1234 1 4 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.652 2.037 18225 1235 1 4 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.596 -1.217 18225 1236 1 4 . 1 1 33 33 ALA H H 33 7.613 7.613 7.715 -0.102 18225 1237 1 4 . 1 1 34 34 ILE N N 34 117.730 117.730 120.812 -3.082 18225 1238 1 4 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.604 0.061 18225 1239 1 4 . 1 1 34 34 ILE C C 34 177.826 177.826 177.239 0.587 18225 1240 1 4 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.621 -0.467 18225 1241 1 4 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.862 -0.579 18225 1242 1 4 . 1 1 34 34 ILE H H 34 8.259 8.259 7.458 0.801 18225 1243 1 4 . 1 1 35 35 TYR N N 35 118.693 118.693 119.223 -0.530 18225 1244 1 4 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.075 0.018 18225 1245 1 4 . 1 1 35 35 TYR C C 35 177.885 177.885 176.770 1.115 18225 1246 1 4 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.196 0.442 18225 1247 1 4 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.280 -0.356 18225 1248 1 4 . 1 1 35 35 TYR H H 35 8.347 8.347 7.713 0.634 18225 1249 1 4 . 1 1 36 36 MET N N 36 117.356 117.356 117.413 -0.057 18225 1250 1 4 . 1 1 36 36 MET HA H 36 4.220 4.220 4.002 0.218 18225 1251 1 4 . 1 1 36 36 MET C C 36 177.903 177.903 178.326 -0.423 18225 1252 1 4 . 1 1 36 36 MET CA C 36 58.653 58.653 58.544 0.109 18225 1253 1 4 . 1 1 36 36 MET CB C 36 32.172 32.172 33.065 -0.893 18225 1254 1 4 . 1 1 36 36 MET H H 36 8.252 8.252 7.475 0.777 18225 1255 1 4 . 1 1 37 37 LEU N N 37 119.978 119.978 119.535 0.443 18225 1256 1 4 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.023 0.005 18225 1257 1 4 . 1 1 37 37 LEU C C 37 178.393 178.393 179.193 -0.800 18225 1258 1 4 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.660 0.982 18225 1259 1 4 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.689 0.300 18225 1260 1 4 . 1 1 37 37 LEU H H 37 8.301 8.301 8.453 -0.152 18225 1261 1 4 . 1 1 38 38 VAL N N 38 117.991 117.991 115.887 2.104 18225 1262 1 4 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.912 -0.410 18225 1263 1 4 . 1 1 38 38 VAL C C 38 177.962 177.962 176.020 1.942 18225 1264 1 4 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.206 4.949 18225 1265 1 4 . 1 1 38 38 VAL CB C 38 31.415 31.415 29.299 2.116 18225 1266 1 4 . 1 1 38 38 VAL H H 38 8.414 8.414 7.743 0.671 18225 1267 1 4 . 1 1 39 39 PHE N N 39 119.830 119.830 122.250 -2.420 18225 1268 1 4 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.562 -0.384 18225 1269 1 4 . 1 1 39 39 PHE C C 39 178.233 178.233 175.614 2.619 18225 1270 1 4 . 1 1 39 39 PHE CA C 39 61.503 61.503 59.614 1.889 18225 1271 1 4 . 1 1 39 39 PHE CB C 39 39.058 39.058 42.008 -2.950 18225 1272 1 4 . 1 1 39 39 PHE H H 39 8.337 8.337 8.452 -0.115 18225 1273 1 4 . 1 1 40 40 LEU N N 40 119.985 119.985 116.669 3.316 18225 1274 1 4 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.217 -0.251 18225 1275 1 4 . 1 1 40 40 LEU C C 40 179.279 179.279 176.783 2.496 18225 1276 1 4 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.672 1.200 18225 1277 1 4 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.115 0.272 18225 1278 1 4 . 1 1 40 40 LEU H H 40 8.603 8.603 7.619 0.984 18225 1279 1 4 . 1 1 41 41 LEU N N 41 118.649 118.649 115.749 2.900 18225 1280 1 4 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.558 -0.514 18225 1281 1 4 . 1 1 41 41 LEU C C 41 178.670 178.670 177.316 1.354 18225 1282 1 4 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.136 2.547 18225 1283 1 4 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.938 -1.007 18225 1284 1 4 . 1 1 41 41 LEU H H 41 8.486 8.486 7.411 1.075 18225 1285 1 4 . 1 1 42 42 GLY N N 42 105.262 105.262 107.191 -1.929 18225 1286 1 4 . 1 1 42 42 GLY C C 42 174.814 174.814 174.830 -0.016 18225 1287 1 4 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.454 0.951 18225 1288 1 4 . 1 1 42 42 GLY H H 42 8.289 8.289 7.712 0.577 18225 1289 1 4 . 1 1 43 43 THR N N 43 111.955 111.955 113.140 -1.185 18225 1290 1 4 . 1 1 43 43 THR HA H 43 4.243 4.243 4.318 -0.075 18225 1291 1 4 . 1 1 43 43 THR C C 43 175.888 175.888 176.007 -0.119 18225 1292 1 4 . 1 1 43 43 THR CA C 43 63.505 63.505 62.984 0.520 18225 1293 1 4 . 1 1 43 43 THR CB C 43 69.598 69.598 68.941 0.657 18225 1294 1 4 . 1 1 43 43 THR H H 43 7.891 7.891 7.230 0.661 18225 1295 1 4 . 1 1 44 44 THR N N 44 111.997 111.997 119.260 -7.263 18225 1296 1 4 . 1 1 44 44 THR HA H 44 4.320 4.320 3.815 0.505 18225 1297 1 4 . 1 1 44 44 THR C C 44 175.543 175.543 175.977 -0.434 18225 1298 1 4 . 1 1 44 44 THR CA C 44 63.009 63.009 65.824 -2.815 18225 1299 1 4 . 1 1 44 44 THR CB C 44 69.881 69.881 68.657 1.224 18225 1300 1 4 . 1 1 44 44 THR H H 44 7.740 7.740 7.486 0.254 18225 1301 1 4 . 1 1 45 45 GLY N N 45 109.564 109.564 108.072 1.492 18225 1302 1 4 . 1 1 45 45 GLY C C 45 174.928 174.928 174.888 0.040 18225 1303 1 4 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.976 1.444 18225 1304 1 4 . 1 1 45 45 GLY H H 45 8.243 8.243 8.144 0.099 18225 1305 1 4 . 1 1 46 46 ASN N N 46 117.851 117.851 116.311 1.540 18225 1306 1 4 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.382 0.335 18225 1307 1 4 . 1 1 46 46 ASN C C 46 176.127 176.127 174.943 1.184 18225 1308 1 4 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.867 0.747 18225 1309 1 4 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.340 0.971 18225 1310 1 4 . 1 1 46 46 ASN H H 46 8.170 8.170 8.008 0.162 18225 1311 1 4 . 1 1 47 47 GLY N N 47 108.287 108.287 103.454 4.833 18225 1312 1 4 . 1 1 47 47 GLY C C 47 174.612 174.612 173.198 1.414 18225 1313 1 4 . 1 1 47 47 GLY CA C 47 47.241 47.241 44.862 2.379 18225 1314 1 4 . 1 1 47 47 GLY H H 47 8.663 8.663 7.906 0.757 18225 1315 1 4 . 1 1 48 48 LEU N N 48 120.479 120.479 119.542 0.937 18225 1316 1 4 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.940 -0.672 18225 1317 1 4 . 1 1 48 48 LEU C C 48 179.407 179.407 177.950 1.457 18225 1318 1 4 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.506 2.086 18225 1319 1 4 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.775 -2.037 18225 1320 1 4 . 1 1 48 48 LEU H H 48 8.149 8.149 7.641 0.508 18225 1321 1 4 . 1 1 49 49 VAL N N 49 119.968 119.968 120.823 -0.855 18225 1322 1 4 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.063 -0.247 18225 1323 1 4 . 1 1 49 49 VAL C C 49 177.444 177.444 176.229 1.215 18225 1324 1 4 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.177 1.766 18225 1325 1 4 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.968 -0.290 18225 1326 1 4 . 1 1 49 49 VAL H H 49 7.969 7.969 7.830 0.139 18225 1327 1 4 . 1 1 50 50 LEU N N 50 119.329 119.329 114.775 4.554 18225 1328 1 4 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.755 -0.743 18225 1329 1 4 . 1 1 50 50 LEU C C 50 178.085 178.085 176.748 1.337 18225 1330 1 4 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.379 2.538 18225 1331 1 4 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.989 -0.282 18225 1332 1 4 . 1 1 50 50 LEU H H 50 7.814 7.814 7.856 -0.042 18225 1333 1 4 . 1 1 51 51 TRP N N 51 118.186 118.186 122.645 -4.459 18225 1334 1 4 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.728 -0.239 18225 1335 1 4 . 1 1 51 51 TRP C C 51 177.377 177.377 178.121 -0.744 18225 1336 1 4 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.040 0.018 18225 1337 1 4 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.871 -0.090 18225 1338 1 4 . 1 1 51 51 TRP H H 51 8.125 8.125 7.745 0.380 18225 1339 1 4 . 1 1 52 52 THR N N 52 113.180 113.180 115.507 -2.327 18225 1340 1 4 . 1 1 52 52 THR HA H 52 3.787 3.787 2.691 1.096 18225 1341 1 4 . 1 1 52 52 THR C C 52 176.309 176.309 176.261 0.048 18225 1342 1 4 . 1 1 52 52 THR CA C 52 66.473 66.473 65.037 1.436 18225 1343 1 4 . 1 1 52 52 THR CB C 52 68.865 68.865 67.537 1.328 18225 1344 1 4 . 1 1 52 52 THR H H 52 8.079 8.079 7.925 0.154 18225 1345 1 4 . 1 1 53 53 VAL N N 53 119.953 119.953 120.651 -0.698 18225 1346 1 4 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.599 0.049 18225 1347 1 4 . 1 1 53 53 VAL C C 53 177.252 177.252 177.736 -0.484 18225 1348 1 4 . 1 1 53 53 VAL CA C 53 66.086 66.086 66.122 -0.036 18225 1349 1 4 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.247 0.457 18225 1350 1 4 . 1 1 53 53 VAL H H 53 7.913 7.913 7.991 -0.078 18225 1351 1 4 . 1 1 54 54 PHE N N 54 118.204 118.204 118.166 0.038 18225 1352 1 4 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.170 0.077 18225 1353 1 4 . 1 1 54 54 PHE C C 54 177.144 177.144 176.065 1.079 18225 1354 1 4 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.631 -0.177 18225 1355 1 4 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.205 -0.089 18225 1356 1 4 . 1 1 54 54 PHE H H 54 8.030 8.030 8.179 -0.149 18225 1357 1 4 . 1 1 55 55 ARG N N 55 117.725 117.725 117.535 0.190 18225 1358 1 4 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.196 -0.312 18225 1359 1 4 . 1 1 55 55 ARG C C 55 177.443 177.443 177.356 0.087 18225 1360 1 4 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.558 -0.004 18225 1361 1 4 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.869 -1.062 18225 1362 1 4 . 1 1 55 55 ARG H H 55 8.034 8.034 7.959 0.075 18225 1363 1 4 . 1 1 56 56 LYS N N 56 118.622 118.622 117.971 0.651 18225 1364 1 4 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.009 0.155 18225 1365 1 4 . 1 1 56 56 LYS C C 56 177.418 177.418 177.917 -0.499 18225 1366 1 4 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.619 -0.102 18225 1367 1 4 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.499 0.309 18225 1368 1 4 . 1 1 56 56 LYS H H 56 7.804 7.804 8.108 -0.304 18225 1369 1 4 . 1 1 57 57 LYS N N 57 118.937 118.937 121.191 -2.254 18225 1370 1 4 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.072 0.186 18225 1371 1 4 . 1 1 57 57 LYS C C 57 177.029 177.029 177.363 -0.334 18225 1372 1 4 . 1 1 57 57 LYS CA C 57 56.610 56.610 56.191 0.418 18225 1373 1 4 . 1 1 57 57 LYS CB C 57 32.878 32.878 30.688 2.190 18225 1374 1 4 . 1 1 57 57 LYS H H 57 7.974 7.974 7.601 0.373 18225 1375 1 4 . 1 1 58 58 GLY N N 58 107.785 107.785 110.637 -2.852 18225 1376 1 4 . 1 1 58 58 GLY C C 58 173.543 173.543 173.621 -0.078 18225 1377 1 4 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.519 -0.046 18225 1378 1 4 . 1 1 58 58 GLY H H 58 8.136 8.136 8.812 -0.676 18225 1379 1 4 . 1 1 59 59 HIS N N 59 117.024 117.024 114.688 2.336 18225 1380 1 4 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.388 0.234 18225 1381 1 4 . 1 1 59 59 HIS C C 59 174.183 174.183 174.173 0.010 18225 1382 1 4 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.166 0.115 18225 1383 1 4 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.089 -0.008 18225 1384 1 4 . 1 1 59 59 HIS H H 59 8.163 8.163 7.430 0.733 18225 1385 1 4 . 1 1 60 60 HIS N N 60 118.841 118.841 120.617 -1.776 18225 1386 1 4 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.737 -0.107 18225 1387 1 4 . 1 1 60 60 HIS C C 60 174.157 174.157 175.653 -1.496 18225 1388 1 4 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.733 -0.393 18225 1389 1 4 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.731 -1.627 18225 1390 1 4 . 1 1 60 60 HIS H H 60 8.507 8.507 8.236 0.271 18225 1391 1 4 . 1 1 61 61 HIS N N 61 119.636 119.636 121.465 -1.829 18225 1392 1 4 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.443 0.211 18225 1393 1 4 . 1 1 61 61 HIS C C 61 174.095 174.095 176.029 -1.934 18225 1394 1 4 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.937 -1.608 18225 1395 1 4 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.287 -1.053 18225 1396 1 4 . 1 1 61 61 HIS H H 61 8.613 8.613 8.890 -0.277 18225 1397 1 4 . 1 1 62 62 HIS N N 62 120.286 120.286 118.316 1.970 18225 1398 1 4 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.226 0.434 18225 1399 1 4 . 1 1 62 62 HIS C C 62 173.928 173.928 173.565 0.363 18225 1400 1 4 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.866 -0.510 18225 1401 1 4 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.253 -0.924 18225 1402 1 4 . 1 1 62 62 HIS H H 62 8.680 8.680 8.085 0.595 18225 1403 1 4 . 1 1 63 63 HIS N N 63 120.408 120.408 119.034 1.374 18225 1404 1 4 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.784 -0.135 18225 1405 1 4 . 1 1 63 63 HIS C C 63 173.437 173.437 174.815 -1.378 18225 1406 1 4 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.164 -0.600 18225 1407 1 4 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.605 -0.122 18225 1408 1 4 . 1 1 63 63 HIS H H 63 8.541 8.541 8.860 -0.319 18225 1409 1 5 . 1 1 2 2 GLU N N 2 123.432 123.432 120.359 3.073 18225 1410 1 5 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.043 0.366 18225 1411 1 5 . 1 1 2 2 GLU C C 2 175.510 175.510 175.484 0.026 18225 1412 1 5 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.633 -0.417 18225 1413 1 5 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.502 1.036 18225 1414 1 5 . 1 1 2 2 GLU H H 2 8.824 8.824 8.290 0.534 18225 1415 1 5 . 1 1 3 3 GLU N N 3 121.813 121.813 119.315 2.498 18225 1416 1 5 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.229 0.149 18225 1417 1 5 . 1 1 3 3 GLU C C 3 176.299 176.299 177.543 -1.244 18225 1418 1 5 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.677 -0.385 18225 1419 1 5 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.274 -0.822 18225 1420 1 5 . 1 1 3 3 GLU H H 3 8.546 8.546 8.311 0.235 18225 1421 1 5 . 1 1 4 4 GLY N N 4 109.619 109.619 107.613 2.006 18225 1422 1 5 . 1 1 4 4 GLY C C 4 174.449 174.449 173.899 0.550 18225 1423 1 5 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.720 0.810 18225 1424 1 5 . 1 1 4 4 GLY H H 4 8.463 8.463 8.464 -0.001 18225 1425 1 5 . 1 1 5 5 GLY N N 5 108.241 108.241 108.997 -0.756 18225 1426 1 5 . 1 1 5 5 GLY C C 5 173.965 173.965 175.142 -1.177 18225 1427 1 5 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.450 1.002 18225 1428 1 5 . 1 1 5 5 GLY H H 5 8.220 8.220 7.336 0.884 18225 1429 1 5 . 1 1 6 6 ASP N N 6 119.184 119.184 123.685 -4.501 18225 1430 1 5 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.405 0.193 18225 1431 1 5 . 1 1 6 6 ASP C C 6 175.801 175.801 176.618 -0.817 18225 1432 1 5 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.568 -1.656 18225 1433 1 5 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.952 -1.617 18225 1434 1 5 . 1 1 6 6 ASP H H 6 8.329 8.329 8.701 -0.372 18225 1435 1 5 . 1 1 7 7 PHE N N 7 119.589 119.589 110.915 8.674 18225 1436 1 5 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.713 -0.233 18225 1437 1 5 . 1 1 7 7 PHE C C 7 175.881 175.881 173.750 2.131 18225 1438 1 5 . 1 1 7 7 PHE CA C 7 58.821 58.821 55.270 3.551 18225 1439 1 5 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.138 0.944 18225 1440 1 5 . 1 1 7 7 PHE H H 7 8.342 8.342 6.675 1.667 18225 1441 1 5 . 1 1 8 8 ASP N N 8 118.430 118.430 123.420 -4.990 18225 1442 1 5 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.410 0.046 18225 1443 1 5 . 1 1 8 8 ASP C C 8 175.642 175.642 175.834 -0.192 18225 1444 1 5 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.404 -0.801 18225 1445 1 5 . 1 1 8 8 ASP CB C 8 38.584 38.584 39.744 -1.160 18225 1446 1 5 . 1 1 8 8 ASP H H 8 8.223 8.223 8.040 0.183 18225 1447 1 5 . 1 1 9 9 ASN N N 9 117.097 117.097 120.531 -3.434 18225 1448 1 5 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.618 -0.059 18225 1449 1 5 . 1 1 9 9 ASN C C 9 175.264 175.264 175.425 -0.161 18225 1450 1 5 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.644 0.200 18225 1451 1 5 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.863 -1.148 18225 1452 1 5 . 1 1 9 9 ASN H H 9 8.069 8.069 8.546 -0.477 18225 1453 1 5 . 1 1 10 10 TYR N N 10 119.007 119.007 119.068 -0.061 18225 1454 1 5 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.654 -0.305 18225 1455 1 5 . 1 1 10 10 TYR C C 10 175.387 175.387 176.972 -1.585 18225 1456 1 5 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.855 0.339 18225 1457 1 5 . 1 1 10 10 TYR CB C 10 38.828 38.828 39.545 -0.717 18225 1458 1 5 . 1 1 10 10 TYR H H 10 7.901 7.901 8.289 -0.388 18225 1459 1 5 . 1 1 11 11 TYR N N 11 117.992 117.992 118.289 -0.297 18225 1460 1 5 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.105 0.338 18225 1461 1 5 . 1 1 11 11 TYR C C 11 175.765 175.765 177.491 -1.726 18225 1462 1 5 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.982 -1.610 18225 1463 1 5 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.441 1.353 18225 1464 1 5 . 1 1 11 11 TYR H H 11 7.885 7.885 8.613 -0.728 18225 1465 1 5 . 1 1 12 12 GLY N N 12 108.601 108.601 109.108 -0.507 18225 1466 1 5 . 1 1 12 12 GLY C C 12 173.934 173.934 173.867 0.067 18225 1467 1 5 . 1 1 12 12 GLY CA C 12 45.489 45.489 44.719 0.770 18225 1468 1 5 . 1 1 12 12 GLY H H 12 7.861 7.861 8.583 -0.722 18225 1469 1 5 . 1 1 13 13 ALA N N 13 122.926 122.926 123.313 -0.387 18225 1470 1 5 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.218 0.061 18225 1471 1 5 . 1 1 13 13 ALA C C 13 177.457 177.457 177.393 0.064 18225 1472 1 5 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.251 0.531 18225 1473 1 5 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.578 -0.131 18225 1474 1 5 . 1 1 13 13 ALA H H 13 7.985 7.985 7.255 0.730 18225 1475 1 5 . 1 1 14 14 ASP N N 14 117.380 117.380 115.930 1.450 18225 1476 1 5 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.298 0.342 18225 1477 1 5 . 1 1 14 14 ASP C C 14 175.428 175.428 175.710 -0.282 18225 1478 1 5 . 1 1 14 14 ASP CA C 14 53.672 53.672 55.703 -2.030 18225 1479 1 5 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.160 -0.795 18225 1480 1 5 . 1 1 14 14 ASP H H 14 8.330 8.330 8.694 -0.364 18225 1481 1 5 . 1 1 15 15 ASN N N 15 118.465 118.465 114.589 3.876 18225 1482 1 5 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.634 0.005 18225 1483 1 5 . 1 1 15 15 ASN C C 15 175.467 175.467 175.289 0.178 18225 1484 1 5 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.031 -0.374 18225 1485 1 5 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.971 -0.004 18225 1486 1 5 . 1 1 15 15 ASN H H 15 8.207 8.207 8.357 -0.150 18225 1487 1 5 . 1 1 16 16 GLN N N 16 119.741 119.741 117.622 2.119 18225 1488 1 5 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.551 -0.236 18225 1489 1 5 . 1 1 16 16 GLN C C 16 176.350 176.350 174.972 1.378 18225 1490 1 5 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.267 1.373 18225 1491 1 5 . 1 1 16 16 GLN CB C 16 29.096 29.096 27.983 1.113 18225 1492 1 5 . 1 1 16 16 GLN H H 16 8.292 8.292 8.217 0.075 18225 1493 1 5 . 1 1 17 17 SER N N 17 115.772 115.772 115.370 0.402 18225 1494 1 5 . 1 1 17 17 SER HA H 17 4.390 4.390 4.646 -0.256 18225 1495 1 5 . 1 1 17 17 SER C C 17 174.799 174.799 173.389 1.410 18225 1496 1 5 . 1 1 17 17 SER CA C 17 59.165 59.165 57.023 2.142 18225 1497 1 5 . 1 1 17 17 SER CB C 17 63.651 63.651 64.639 -0.988 18225 1498 1 5 . 1 1 17 17 SER H H 17 8.224 8.224 7.464 0.760 18225 1499 1 5 . 1 1 18 18 GLU N N 18 121.211 121.211 123.607 -2.396 18225 1500 1 5 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.324 -0.006 18225 1501 1 5 . 1 1 18 18 GLU C C 18 176.201 176.201 177.099 -0.898 18225 1502 1 5 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.041 -0.316 18225 1503 1 5 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.263 0.702 18225 1504 1 5 . 1 1 18 18 GLU H H 18 8.285 8.285 8.769 -0.484 18225 1505 1 5 . 1 1 19 19 CYS N N 19 118.653 118.653 121.630 -2.977 18225 1506 1 5 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.383 0.040 18225 1507 1 5 . 1 1 19 19 CYS C C 19 174.698 174.698 175.841 -1.143 18225 1508 1 5 . 1 1 19 19 CYS CA C 19 59.075 59.075 61.161 -2.086 18225 1509 1 5 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.068 -0.218 18225 1510 1 5 . 1 1 19 19 CYS H H 19 8.202 8.202 8.741 -0.539 18225 1511 1 5 . 1 1 20 20 GLU N N 20 121.851 121.851 117.149 4.702 18225 1512 1 5 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.514 -0.249 18225 1513 1 5 . 1 1 20 20 GLU C C 20 176.100 176.100 175.943 0.157 18225 1514 1 5 . 1 1 20 20 GLU CA C 20 56.822 56.822 55.456 1.366 18225 1515 1 5 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.844 -1.868 18225 1516 1 5 . 1 1 20 20 GLU H H 20 8.349 8.349 8.438 -0.089 18225 1517 1 5 . 1 1 21 21 TYR N N 21 118.491 118.491 122.108 -3.617 18225 1518 1 5 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.897 -0.479 18225 1519 1 5 . 1 1 21 21 TYR C C 21 175.881 175.881 175.305 0.576 18225 1520 1 5 . 1 1 21 21 TYR CA C 21 58.731 58.731 59.595 -0.864 18225 1521 1 5 . 1 1 21 21 TYR CB C 21 38.626 38.626 36.621 2.005 18225 1522 1 5 . 1 1 21 21 TYR H H 21 7.974 7.974 8.376 -0.402 18225 1523 1 5 . 1 1 22 22 THR N N 22 112.161 112.161 113.108 -0.947 18225 1524 1 5 . 1 1 22 22 THR HA H 22 4.105 4.105 4.015 0.090 18225 1525 1 5 . 1 1 22 22 THR C C 22 174.666 174.666 173.792 0.874 18225 1526 1 5 . 1 1 22 22 THR CA C 22 63.190 63.190 63.091 0.099 18225 1527 1 5 . 1 1 22 22 THR CB C 22 69.306 69.306 69.928 -0.622 18225 1528 1 5 . 1 1 22 22 THR H H 22 7.747 7.747 8.217 -0.470 18225 1529 1 5 . 1 1 23 23 ASP N N 23 120.529 120.529 123.805 -3.276 18225 1530 1 5 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.606 0.048 18225 1531 1 5 . 1 1 23 23 ASP C C 23 176.119 176.119 175.544 0.575 18225 1532 1 5 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.659 -1.756 18225 1533 1 5 . 1 1 23 23 ASP CB C 23 39.138 39.138 39.040 0.098 18225 1534 1 5 . 1 1 23 23 ASP H H 23 8.114 8.114 8.350 -0.236 18225 1535 1 5 . 1 1 24 24 TRP N N 24 121.466 121.466 116.382 5.084 18225 1536 1 5 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.655 -0.179 18225 1537 1 5 . 1 1 24 24 TRP C C 24 176.578 176.578 175.298 1.280 18225 1538 1 5 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.371 0.940 18225 1539 1 5 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.807 -0.621 18225 1540 1 5 . 1 1 24 24 TRP H H 24 8.034 8.034 7.712 0.322 18225 1541 1 5 . 1 1 25 25 LYS N N 25 119.430 119.430 124.760 -5.330 18225 1542 1 5 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.368 0.677 18225 1543 1 5 . 1 1 25 25 LYS C C 25 176.798 176.798 175.778 1.020 18225 1544 1 5 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.204 0.557 18225 1545 1 5 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.247 2.162 18225 1546 1 5 . 1 1 25 25 LYS H H 25 7.880 7.880 6.614 1.266 18225 1547 1 5 . 1 1 26 26 SER N N 26 113.780 113.780 116.833 -3.053 18225 1548 1 5 . 1 1 26 26 SER HA H 26 4.461 4.461 4.374 0.087 18225 1549 1 5 . 1 1 26 26 SER C C 26 174.957 174.957 174.399 0.558 18225 1550 1 5 . 1 1 26 26 SER CA C 26 58.760 58.760 58.544 0.216 18225 1551 1 5 . 1 1 26 26 SER CB C 26 63.889 63.889 62.987 0.902 18225 1552 1 5 . 1 1 26 26 SER H H 26 7.893 7.893 8.117 -0.224 18225 1553 1 5 . 1 1 27 27 SER N N 27 116.730 116.730 120.111 -3.381 18225 1554 1 5 . 1 1 27 27 SER HA H 27 4.328 4.328 4.563 -0.235 18225 1555 1 5 . 1 1 27 27 SER C C 27 175.563 175.563 175.002 0.561 18225 1556 1 5 . 1 1 27 27 SER CA C 27 59.856 59.856 57.810 2.046 18225 1557 1 5 . 1 1 27 27 SER CB C 27 63.819 63.819 62.295 1.524 18225 1558 1 5 . 1 1 27 27 SER H H 27 8.137 8.137 8.858 -0.721 18225 1559 1 5 . 1 1 28 28 GLY N N 28 110.734 110.734 109.080 1.654 18225 1560 1 5 . 1 1 28 28 GLY C C 28 174.314 174.314 173.352 0.962 18225 1561 1 5 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.880 0.245 18225 1562 1 5 . 1 1 28 28 GLY H H 28 8.477 8.477 7.446 1.031 18225 1563 1 5 . 1 1 29 29 ALA N N 29 121.690 121.690 120.452 1.238 18225 1564 1 5 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.113 0.176 18225 1565 1 5 . 1 1 29 29 ALA C C 29 177.330 177.330 176.872 0.458 18225 1566 1 5 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.737 0.437 18225 1567 1 5 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.159 2.725 18225 1568 1 5 . 1 1 29 29 ALA H H 29 8.189 8.189 8.224 -0.035 18225 1569 1 5 . 1 1 30 30 LEU N N 30 117.292 117.292 113.854 3.438 18225 1570 1 5 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.707 -0.628 18225 1571 1 5 . 1 1 30 30 LEU C C 30 177.377 177.377 177.223 0.154 18225 1572 1 5 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.459 2.775 18225 1573 1 5 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.420 -0.006 18225 1574 1 5 . 1 1 30 30 LEU H H 30 7.873 7.873 8.030 -0.157 18225 1575 1 5 . 1 1 31 31 ILE N N 31 116.517 116.517 119.726 -3.209 18225 1576 1 5 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.325 -0.442 18225 1577 1 5 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.226 1.040 18225 1578 1 5 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.348 -0.592 18225 1579 1 5 . 1 1 31 31 ILE H H 31 8.262 8.262 8.055 0.207 18225 1580 1 5 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.328 -0.116 18225 1581 1 5 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.980 1.013 18225 1582 1 5 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.827 0.165 18225 1583 1 5 . 1 1 33 33 ALA N N 33 118.208 118.208 120.687 -2.479 18225 1584 1 5 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.370 -0.304 18225 1585 1 5 . 1 1 33 33 ALA C C 33 178.814 178.814 178.907 -0.093 18225 1586 1 5 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.815 2.874 18225 1587 1 5 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.594 -1.215 18225 1588 1 5 . 1 1 33 33 ALA H H 33 7.613 7.613 7.310 0.303 18225 1589 1 5 . 1 1 34 34 ILE N N 34 117.730 117.730 118.080 -0.350 18225 1590 1 5 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.608 0.057 18225 1591 1 5 . 1 1 34 34 ILE C C 34 177.826 177.826 177.312 0.514 18225 1592 1 5 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.916 0.238 18225 1593 1 5 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.658 -0.375 18225 1594 1 5 . 1 1 34 34 ILE H H 34 8.259 8.259 7.764 0.495 18225 1595 1 5 . 1 1 35 35 TYR N N 35 118.693 118.693 119.953 -1.260 18225 1596 1 5 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.263 -0.170 18225 1597 1 5 . 1 1 35 35 TYR C C 35 177.885 177.885 177.541 0.344 18225 1598 1 5 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.480 0.158 18225 1599 1 5 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.995 -1.071 18225 1600 1 5 . 1 1 35 35 TYR H H 35 8.347 8.347 7.893 0.454 18225 1601 1 5 . 1 1 36 36 MET N N 36 117.356 117.356 120.525 -3.169 18225 1602 1 5 . 1 1 36 36 MET HA H 36 4.220 4.220 4.273 -0.053 18225 1603 1 5 . 1 1 36 36 MET C C 36 177.903 177.903 178.341 -0.438 18225 1604 1 5 . 1 1 36 36 MET CA C 36 58.653 58.653 58.628 0.025 18225 1605 1 5 . 1 1 36 36 MET CB C 36 32.172 32.172 32.620 -0.448 18225 1606 1 5 . 1 1 36 36 MET H H 36 8.252 8.252 8.265 -0.013 18225 1607 1 5 . 1 1 37 37 LEU N N 37 119.978 119.978 118.726 1.252 18225 1608 1 5 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.245 -0.217 18225 1609 1 5 . 1 1 37 37 LEU C C 37 178.393 178.393 177.573 0.820 18225 1610 1 5 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.810 1.832 18225 1611 1 5 . 1 1 37 37 LEU CB C 37 41.989 41.989 42.039 -0.050 18225 1612 1 5 . 1 1 37 37 LEU H H 37 8.301 8.301 8.445 -0.144 18225 1613 1 5 . 1 1 38 38 VAL N N 38 117.991 117.991 116.570 1.421 18225 1614 1 5 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.013 -0.511 18225 1615 1 5 . 1 1 38 38 VAL C C 38 177.962 177.962 175.929 2.033 18225 1616 1 5 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.330 3.825 18225 1617 1 5 . 1 1 38 38 VAL CB C 38 31.415 31.415 32.060 -0.645 18225 1618 1 5 . 1 1 38 38 VAL H H 38 8.414 8.414 7.666 0.748 18225 1619 1 5 . 1 1 39 39 PHE N N 39 119.830 119.830 120.651 -0.821 18225 1620 1 5 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.174 0.004 18225 1621 1 5 . 1 1 39 39 PHE C C 39 178.233 178.233 175.805 2.428 18225 1622 1 5 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.512 -0.009 18225 1623 1 5 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.884 -0.826 18225 1624 1 5 . 1 1 39 39 PHE H H 39 8.337 8.337 7.502 0.835 18225 1625 1 5 . 1 1 40 40 LEU N N 40 119.985 119.985 113.470 6.515 18225 1626 1 5 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.062 -0.096 18225 1627 1 5 . 1 1 40 40 LEU C C 40 179.279 179.279 176.236 3.043 18225 1628 1 5 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.477 2.395 18225 1629 1 5 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.234 0.152 18225 1630 1 5 . 1 1 40 40 LEU H H 40 8.603 8.603 7.401 1.202 18225 1631 1 5 . 1 1 41 41 LEU N N 41 118.649 118.649 121.144 -2.495 18225 1632 1 5 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.502 -0.458 18225 1633 1 5 . 1 1 41 41 LEU C C 41 178.670 178.670 176.679 1.991 18225 1634 1 5 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.516 3.167 18225 1635 1 5 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.143 -0.212 18225 1636 1 5 . 1 1 41 41 LEU H H 41 8.486 8.486 7.236 1.250 18225 1637 1 5 . 1 1 42 42 GLY N N 42 105.262 105.262 108.651 -3.389 18225 1638 1 5 . 1 1 42 42 GLY C C 42 174.814 174.814 174.616 0.198 18225 1639 1 5 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.744 0.661 18225 1640 1 5 . 1 1 42 42 GLY H H 42 8.289 8.289 8.415 -0.126 18225 1641 1 5 . 1 1 43 43 THR N N 43 111.955 111.955 114.541 -2.586 18225 1642 1 5 . 1 1 43 43 THR HA H 43 4.243 4.243 4.438 -0.195 18225 1643 1 5 . 1 1 43 43 THR C C 43 175.888 175.888 175.296 0.592 18225 1644 1 5 . 1 1 43 43 THR CA C 43 63.505 63.505 62.084 1.421 18225 1645 1 5 . 1 1 43 43 THR CB C 43 69.598 69.598 69.857 -0.259 18225 1646 1 5 . 1 1 43 43 THR H H 43 7.891 7.891 7.879 0.012 18225 1647 1 5 . 1 1 44 44 THR N N 44 111.997 111.997 117.025 -5.028 18225 1648 1 5 . 1 1 44 44 THR HA H 44 4.320 4.320 3.905 0.415 18225 1649 1 5 . 1 1 44 44 THR C C 44 175.543 175.543 176.051 -0.508 18225 1650 1 5 . 1 1 44 44 THR CA C 44 63.009 63.009 64.329 -1.319 18225 1651 1 5 . 1 1 44 44 THR CB C 44 69.881 69.881 68.830 1.051 18225 1652 1 5 . 1 1 44 44 THR H H 44 7.740 7.740 7.718 0.022 18225 1653 1 5 . 1 1 45 45 GLY N N 45 109.564 109.564 109.369 0.195 18225 1654 1 5 . 1 1 45 45 GLY C C 45 174.928 174.928 174.543 0.385 18225 1655 1 5 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.809 -0.389 18225 1656 1 5 . 1 1 45 45 GLY H H 45 8.243 8.243 8.118 0.125 18225 1657 1 5 . 1 1 46 46 ASN N N 46 117.851 117.851 116.535 1.316 18225 1658 1 5 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.647 0.070 18225 1659 1 5 . 1 1 46 46 ASN C C 46 176.127 176.127 175.611 0.516 18225 1660 1 5 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.745 1.869 18225 1661 1 5 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.720 0.591 18225 1662 1 5 . 1 1 46 46 ASN H H 46 8.170 8.170 7.921 0.249 18225 1663 1 5 . 1 1 47 47 GLY N N 47 108.287 108.287 108.333 -0.046 18225 1664 1 5 . 1 1 47 47 GLY C C 47 174.612 174.612 174.178 0.434 18225 1665 1 5 . 1 1 47 47 GLY CA C 47 47.241 47.241 46.474 0.767 18225 1666 1 5 . 1 1 47 47 GLY H H 47 8.663 8.663 8.566 0.097 18225 1667 1 5 . 1 1 48 48 LEU N N 48 120.479 120.479 118.438 2.041 18225 1668 1 5 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.629 -0.361 18225 1669 1 5 . 1 1 48 48 LEU C C 48 179.407 179.407 177.253 2.154 18225 1670 1 5 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.341 2.251 18225 1671 1 5 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.214 -0.476 18225 1672 1 5 . 1 1 48 48 LEU H H 48 8.149 8.149 7.961 0.188 18225 1673 1 5 . 1 1 49 49 VAL N N 49 119.968 119.968 116.806 3.162 18225 1674 1 5 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.013 -0.197 18225 1675 1 5 . 1 1 49 49 VAL C C 49 177.444 177.444 176.219 1.225 18225 1676 1 5 . 1 1 49 49 VAL CA C 49 65.943 65.943 62.964 2.979 18225 1677 1 5 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.699 -0.021 18225 1678 1 5 . 1 1 49 49 VAL H H 49 7.969 7.969 8.033 -0.064 18225 1679 1 5 . 1 1 50 50 LEU N N 50 119.329 119.329 114.560 4.769 18225 1680 1 5 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.760 -0.748 18225 1681 1 5 . 1 1 50 50 LEU C C 50 178.085 178.085 177.148 0.937 18225 1682 1 5 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.279 2.638 18225 1683 1 5 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.418 -0.712 18225 1684 1 5 . 1 1 50 50 LEU H H 50 7.814 7.814 7.313 0.501 18225 1685 1 5 . 1 1 51 51 TRP N N 51 118.186 118.186 123.934 -5.748 18225 1686 1 5 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.804 -0.315 18225 1687 1 5 . 1 1 51 51 TRP C C 51 177.377 177.377 176.896 0.481 18225 1688 1 5 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.337 0.721 18225 1689 1 5 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.596 0.185 18225 1690 1 5 . 1 1 51 51 TRP H H 51 8.125 8.125 7.604 0.521 18225 1691 1 5 . 1 1 52 52 THR N N 52 113.180 113.180 114.150 -0.970 18225 1692 1 5 . 1 1 52 52 THR HA H 52 3.787 3.787 3.605 0.182 18225 1693 1 5 . 1 1 52 52 THR C C 52 176.309 176.309 176.388 -0.079 18225 1694 1 5 . 1 1 52 52 THR CA C 52 66.473 66.473 64.405 2.068 18225 1695 1 5 . 1 1 52 52 THR CB C 52 68.865 68.865 68.480 0.385 18225 1696 1 5 . 1 1 52 52 THR H H 52 8.079 8.079 7.985 0.094 18225 1697 1 5 . 1 1 53 53 VAL N N 53 119.953 119.953 119.980 -0.027 18225 1698 1 5 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.729 -0.081 18225 1699 1 5 . 1 1 53 53 VAL C C 53 177.252 177.252 176.641 0.611 18225 1700 1 5 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.268 0.818 18225 1701 1 5 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.634 0.070 18225 1702 1 5 . 1 1 53 53 VAL H H 53 7.913 7.913 7.348 0.565 18225 1703 1 5 . 1 1 54 54 PHE N N 54 118.204 118.204 115.986 2.218 18225 1704 1 5 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.261 -0.014 18225 1705 1 5 . 1 1 54 54 PHE C C 54 177.144 177.144 174.800 2.344 18225 1706 1 5 . 1 1 54 54 PHE CA C 54 60.454 60.454 58.724 1.730 18225 1707 1 5 . 1 1 54 54 PHE CB C 54 39.116 39.116 37.250 1.866 18225 1708 1 5 . 1 1 54 54 PHE H H 54 8.030 8.030 8.384 -0.354 18225 1709 1 5 . 1 1 55 55 ARG N N 55 117.725 117.725 112.994 4.731 18225 1710 1 5 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.305 -0.421 18225 1711 1 5 . 1 1 55 55 ARG C C 55 177.443 177.443 176.764 0.679 18225 1712 1 5 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.089 1.465 18225 1713 1 5 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.173 -0.366 18225 1714 1 5 . 1 1 55 55 ARG H H 55 8.034 8.034 7.386 0.648 18225 1715 1 5 . 1 1 56 56 LYS N N 56 118.622 118.622 122.720 -4.098 18225 1716 1 5 . 1 1 56 56 LYS HA H 56 4.164 4.164 3.968 0.196 18225 1717 1 5 . 1 1 56 56 LYS C C 56 177.418 177.418 177.527 -0.109 18225 1718 1 5 . 1 1 56 56 LYS CA C 56 57.517 57.517 59.369 -1.852 18225 1719 1 5 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.276 0.532 18225 1720 1 5 . 1 1 56 56 LYS H H 56 7.804 7.804 7.928 -0.124 18225 1721 1 5 . 1 1 57 57 LYS N N 57 118.937 118.937 114.834 4.103 18225 1722 1 5 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.007 0.251 18225 1723 1 5 . 1 1 57 57 LYS C C 57 177.029 177.029 177.009 0.020 18225 1724 1 5 . 1 1 57 57 LYS CA C 57 56.610 56.610 56.844 -0.234 18225 1725 1 5 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.011 0.867 18225 1726 1 5 . 1 1 57 57 LYS H H 57 7.974 7.974 7.558 0.416 18225 1727 1 5 . 1 1 58 58 GLY N N 58 107.785 107.785 106.547 1.238 18225 1728 1 5 . 1 1 58 58 GLY C C 58 173.543 173.543 174.326 -0.783 18225 1729 1 5 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.573 0.900 18225 1730 1 5 . 1 1 58 58 GLY H H 58 8.136 8.136 7.511 0.625 18225 1731 1 5 . 1 1 59 59 HIS N N 59 117.024 117.024 117.701 -0.677 18225 1732 1 5 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.597 1.025 18225 1733 1 5 . 1 1 59 59 HIS C C 59 174.183 174.183 175.053 -0.870 18225 1734 1 5 . 1 1 59 59 HIS CA C 59 55.281 55.281 59.039 -3.758 18225 1735 1 5 . 1 1 59 59 HIS CB C 59 29.081 29.081 28.433 0.648 18225 1736 1 5 . 1 1 59 59 HIS H H 59 8.163 8.163 8.375 -0.212 18225 1737 1 5 . 1 1 60 60 HIS N N 60 118.841 118.841 117.050 1.791 18225 1738 1 5 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.700 -0.070 18225 1739 1 5 . 1 1 60 60 HIS C C 60 174.157 174.157 174.241 -0.084 18225 1740 1 5 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.973 -1.633 18225 1741 1 5 . 1 1 60 60 HIS CB C 60 29.104 29.104 32.175 -3.071 18225 1742 1 5 . 1 1 60 60 HIS H H 60 8.507 8.507 8.271 0.236 18225 1743 1 5 . 1 1 61 61 HIS N N 61 119.636 119.636 115.037 4.599 18225 1744 1 5 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.570 0.084 18225 1745 1 5 . 1 1 61 61 HIS C C 61 174.095 174.095 174.686 -0.591 18225 1746 1 5 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.280 0.049 18225 1747 1 5 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.895 -2.661 18225 1748 1 5 . 1 1 61 61 HIS H H 61 8.613 8.613 8.369 0.244 18225 1749 1 5 . 1 1 62 62 HIS N N 62 120.286 120.286 122.901 -2.615 18225 1750 1 5 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.716 -0.056 18225 1751 1 5 . 1 1 62 62 HIS C C 62 173.928 173.928 175.255 -1.327 18225 1752 1 5 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.374 -0.018 18225 1753 1 5 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.581 -1.252 18225 1754 1 5 . 1 1 62 62 HIS H H 62 8.680 8.680 9.004 -0.324 18225 1755 1 5 . 1 1 63 63 HIS N N 63 120.408 120.408 114.139 6.269 18225 1756 1 5 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.690 -0.041 18225 1757 1 5 . 1 1 63 63 HIS C C 63 173.437 173.437 174.385 -0.948 18225 1758 1 5 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.832 -0.268 18225 1759 1 5 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.895 0.588 18225 1760 1 5 . 1 1 63 63 HIS H H 63 8.541 8.541 8.510 0.031 18225 1761 1 6 . 1 1 2 2 GLU N N 2 123.432 123.432 123.154 0.278 18225 1762 1 6 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.614 -0.205 18225 1763 1 6 . 1 1 2 2 GLU C C 2 175.510 175.510 175.186 0.324 18225 1764 1 6 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.267 -0.051 18225 1765 1 6 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.828 -1.290 18225 1766 1 6 . 1 1 2 2 GLU H H 2 8.824 8.824 8.499 0.325 18225 1767 1 6 . 1 1 3 3 GLU N N 3 121.813 121.813 121.477 0.336 18225 1768 1 6 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.259 0.119 18225 1769 1 6 . 1 1 3 3 GLU C C 3 176.299 176.299 176.261 0.038 18225 1770 1 6 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.218 -0.926 18225 1771 1 6 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.173 -0.721 18225 1772 1 6 . 1 1 3 3 GLU H H 3 8.546 8.546 8.295 0.251 18225 1773 1 6 . 1 1 4 4 GLY N N 4 109.619 109.619 111.693 -2.074 18225 1774 1 6 . 1 1 4 4 GLY C C 4 174.449 174.449 173.626 0.823 18225 1775 1 6 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.350 0.180 18225 1776 1 6 . 1 1 4 4 GLY H H 4 8.463 8.463 8.748 -0.285 18225 1777 1 6 . 1 1 5 5 GLY N N 5 108.241 108.241 108.639 -0.398 18225 1778 1 6 . 1 1 5 5 GLY C C 5 173.965 173.965 173.846 0.119 18225 1779 1 6 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.664 0.788 18225 1780 1 6 . 1 1 5 5 GLY H H 5 8.220 8.220 7.540 0.680 18225 1781 1 6 . 1 1 6 6 ASP N N 6 119.184 119.184 122.593 -3.409 18225 1782 1 6 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.577 0.021 18225 1783 1 6 . 1 1 6 6 ASP C C 6 175.801 175.801 175.698 0.103 18225 1784 1 6 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.546 -0.634 18225 1785 1 6 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.955 -1.620 18225 1786 1 6 . 1 1 6 6 ASP H H 6 8.329 8.329 8.758 -0.428 18225 1787 1 6 . 1 1 7 7 PHE N N 7 119.589 119.589 117.535 2.054 18225 1788 1 6 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.557 -0.077 18225 1789 1 6 . 1 1 7 7 PHE C C 7 175.881 175.881 174.412 1.469 18225 1790 1 6 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.565 1.256 18225 1791 1 6 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.629 -1.547 18225 1792 1 6 . 1 1 7 7 PHE H H 7 8.342 8.342 7.638 0.704 18225 1793 1 6 . 1 1 8 8 ASP N N 8 118.430 118.430 121.219 -2.789 18225 1794 1 6 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.345 0.111 18225 1795 1 6 . 1 1 8 8 ASP C C 8 175.642 175.642 175.396 0.246 18225 1796 1 6 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.488 0.115 18225 1797 1 6 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.348 -2.764 18225 1798 1 6 . 1 1 8 8 ASP H H 8 8.223 8.223 7.829 0.394 18225 1799 1 6 . 1 1 9 9 ASN N N 9 117.097 117.097 120.087 -2.990 18225 1800 1 6 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.483 0.076 18225 1801 1 6 . 1 1 9 9 ASN C C 9 175.264 175.264 175.450 -0.186 18225 1802 1 6 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.093 0.751 18225 1803 1 6 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.696 0.020 18225 1804 1 6 . 1 1 9 9 ASN H H 9 8.069 8.069 8.540 -0.471 18225 1805 1 6 . 1 1 10 10 TYR N N 10 119.007 119.007 117.228 1.779 18225 1806 1 6 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.112 0.237 18225 1807 1 6 . 1 1 10 10 TYR C C 10 175.387 175.387 176.239 -0.852 18225 1808 1 6 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.639 -1.445 18225 1809 1 6 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.031 1.797 18225 1810 1 6 . 1 1 10 10 TYR H H 10 7.901 7.901 7.164 0.737 18225 1811 1 6 . 1 1 11 11 TYR N N 11 117.992 117.992 120.199 -2.207 18225 1812 1 6 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.311 0.132 18225 1813 1 6 . 1 1 11 11 TYR C C 11 175.765 175.765 175.743 0.022 18225 1814 1 6 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.008 -0.636 18225 1815 1 6 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.734 0.060 18225 1816 1 6 . 1 1 11 11 TYR H H 11 7.885 7.885 8.785 -0.900 18225 1817 1 6 . 1 1 12 12 GLY N N 12 108.601 108.601 108.473 0.128 18225 1818 1 6 . 1 1 12 12 GLY C C 12 173.934 173.934 174.377 -0.443 18225 1819 1 6 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.695 -0.206 18225 1820 1 6 . 1 1 12 12 GLY H H 12 7.861 7.861 8.161 -0.300 18225 1821 1 6 . 1 1 13 13 ALA N N 13 122.926 122.926 122.005 0.921 18225 1822 1 6 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.090 0.189 18225 1823 1 6 . 1 1 13 13 ALA C C 13 177.457 177.457 178.747 -1.290 18225 1824 1 6 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.803 -1.021 18225 1825 1 6 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.149 0.298 18225 1826 1 6 . 1 1 13 13 ALA H H 13 7.985 7.985 8.126 -0.141 18225 1827 1 6 . 1 1 14 14 ASP N N 14 117.380 117.380 116.769 0.611 18225 1828 1 6 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.315 0.325 18225 1829 1 6 . 1 1 14 14 ASP C C 14 175.428 175.428 178.255 -2.827 18225 1830 1 6 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.593 -2.921 18225 1831 1 6 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.138 -0.773 18225 1832 1 6 . 1 1 14 14 ASP H H 14 8.330 8.330 8.577 -0.247 18225 1833 1 6 . 1 1 15 15 ASN N N 15 118.465 118.465 116.381 2.084 18225 1834 1 6 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.512 0.127 18225 1835 1 6 . 1 1 15 15 ASN C C 15 175.467 175.467 176.361 -0.894 18225 1836 1 6 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.346 -1.689 18225 1837 1 6 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.531 0.437 18225 1838 1 6 . 1 1 15 15 ASN H H 15 8.207 8.207 8.289 -0.082 18225 1839 1 6 . 1 1 16 16 GLN N N 16 119.741 119.741 118.088 1.653 18225 1840 1 6 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.310 0.005 18225 1841 1 6 . 1 1 16 16 GLN C C 16 176.350 176.350 174.489 1.861 18225 1842 1 6 . 1 1 16 16 GLN CA C 16 56.640 56.640 54.677 1.963 18225 1843 1 6 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.389 0.707 18225 1844 1 6 . 1 1 16 16 GLN H H 16 8.292 8.292 7.669 0.623 18225 1845 1 6 . 1 1 17 17 SER N N 17 115.772 115.772 117.028 -1.256 18225 1846 1 6 . 1 1 17 17 SER HA H 17 4.390 4.390 4.475 -0.085 18225 1847 1 6 . 1 1 17 17 SER C C 17 174.799 174.799 174.586 0.213 18225 1848 1 6 . 1 1 17 17 SER CA C 17 59.165 59.165 58.479 0.686 18225 1849 1 6 . 1 1 17 17 SER CB C 17 63.651 63.651 63.016 0.635 18225 1850 1 6 . 1 1 17 17 SER H H 17 8.224 8.224 7.545 0.679 18225 1851 1 6 . 1 1 18 18 GLU N N 18 121.211 121.211 123.679 -2.468 18225 1852 1 6 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.105 0.213 18225 1853 1 6 . 1 1 18 18 GLU C C 18 176.201 176.201 175.634 0.567 18225 1854 1 6 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.549 -0.824 18225 1855 1 6 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.088 -0.123 18225 1856 1 6 . 1 1 18 18 GLU H H 18 8.285 8.285 8.887 -0.602 18225 1857 1 6 . 1 1 19 19 CYS N N 19 118.653 118.653 118.269 0.384 18225 1858 1 6 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.564 -0.141 18225 1859 1 6 . 1 1 19 19 CYS C C 19 174.698 174.698 174.742 -0.044 18225 1860 1 6 . 1 1 19 19 CYS CA C 19 59.075 59.075 56.319 2.756 18225 1861 1 6 . 1 1 19 19 CYS CB C 19 27.850 27.850 25.729 2.121 18225 1862 1 6 . 1 1 19 19 CYS H H 19 8.202 8.202 8.616 -0.414 18225 1863 1 6 . 1 1 20 20 GLU N N 20 121.851 121.851 118.109 3.742 18225 1864 1 6 . 1 1 20 20 GLU HA H 20 4.265 4.265 3.912 0.353 18225 1865 1 6 . 1 1 20 20 GLU C C 20 176.100 176.100 175.215 0.885 18225 1866 1 6 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.642 -0.820 18225 1867 1 6 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.067 1.909 18225 1868 1 6 . 1 1 20 20 GLU H H 20 8.349 8.349 8.563 -0.214 18225 1869 1 6 . 1 1 21 21 TYR N N 21 118.491 118.491 111.926 6.565 18225 1870 1 6 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.489 -1.071 18225 1871 1 6 . 1 1 21 21 TYR C C 21 175.881 175.881 174.545 1.336 18225 1872 1 6 . 1 1 21 21 TYR CA C 21 58.731 58.731 56.946 1.785 18225 1873 1 6 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.395 -0.769 18225 1874 1 6 . 1 1 21 21 TYR H H 21 7.974 7.974 7.794 0.180 18225 1875 1 6 . 1 1 22 22 THR N N 22 112.161 112.161 109.983 2.178 18225 1876 1 6 . 1 1 22 22 THR HA H 22 4.105 4.105 4.252 -0.147 18225 1877 1 6 . 1 1 22 22 THR C C 22 174.666 174.666 175.135 -0.469 18225 1878 1 6 . 1 1 22 22 THR CA C 22 63.190 63.190 61.996 1.194 18225 1879 1 6 . 1 1 22 22 THR CB C 22 69.306 69.306 69.670 -0.364 18225 1880 1 6 . 1 1 22 22 THR H H 22 7.747 7.747 8.024 -0.277 18225 1881 1 6 . 1 1 23 23 ASP N N 23 120.529 120.529 122.166 -1.637 18225 1882 1 6 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.767 -0.113 18225 1883 1 6 . 1 1 23 23 ASP C C 23 176.119 176.119 175.820 0.299 18225 1884 1 6 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.501 -0.598 18225 1885 1 6 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.498 -2.360 18225 1886 1 6 . 1 1 23 23 ASP H H 23 8.114 8.114 8.655 -0.541 18225 1887 1 6 . 1 1 24 24 TRP N N 24 121.466 121.466 118.407 3.059 18225 1888 1 6 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.703 -0.227 18225 1889 1 6 . 1 1 24 24 TRP C C 24 176.578 176.578 176.280 0.298 18225 1890 1 6 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.633 0.678 18225 1891 1 6 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.833 -0.647 18225 1892 1 6 . 1 1 24 24 TRP H H 24 8.034 8.034 7.709 0.325 18225 1893 1 6 . 1 1 25 25 LYS N N 25 119.430 119.430 120.358 -0.928 18225 1894 1 6 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.436 0.609 18225 1895 1 6 . 1 1 25 25 LYS C C 25 176.798 176.798 175.196 1.602 18225 1896 1 6 . 1 1 25 25 LYS CA C 25 57.761 57.761 58.258 -0.497 18225 1897 1 6 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.985 1.424 18225 1898 1 6 . 1 1 25 25 LYS H H 25 7.880 7.880 8.288 -0.408 18225 1899 1 6 . 1 1 26 26 SER N N 26 113.780 113.780 110.403 3.377 18225 1900 1 6 . 1 1 26 26 SER HA H 26 4.461 4.461 2.765 1.696 18225 1901 1 6 . 1 1 26 26 SER C C 26 174.957 174.957 173.505 1.452 18225 1902 1 6 . 1 1 26 26 SER CA C 26 58.760 58.760 57.562 1.198 18225 1903 1 6 . 1 1 26 26 SER CB C 26 63.889 63.889 63.520 0.368 18225 1904 1 6 . 1 1 26 26 SER H H 26 7.893 7.893 7.964 -0.071 18225 1905 1 6 . 1 1 27 27 SER N N 27 116.730 116.730 115.528 1.202 18225 1906 1 6 . 1 1 27 27 SER HA H 27 4.328 4.328 4.242 0.086 18225 1907 1 6 . 1 1 27 27 SER C C 27 175.563 175.563 173.956 1.607 18225 1908 1 6 . 1 1 27 27 SER CA C 27 59.856 59.856 59.054 0.802 18225 1909 1 6 . 1 1 27 27 SER CB C 27 63.819 63.819 63.044 0.775 18225 1910 1 6 . 1 1 27 27 SER H H 27 8.137 8.137 8.072 0.065 18225 1911 1 6 . 1 1 28 28 GLY N N 28 110.734 110.734 105.515 5.219 18225 1912 1 6 . 1 1 28 28 GLY C C 28 174.314 174.314 172.768 1.546 18225 1913 1 6 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.604 0.521 18225 1914 1 6 . 1 1 28 28 GLY H H 28 8.477 8.477 7.857 0.620 18225 1915 1 6 . 1 1 29 29 ALA N N 29 121.690 121.690 121.157 0.533 18225 1916 1 6 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.443 -0.154 18225 1917 1 6 . 1 1 29 29 ALA C C 29 177.330 177.330 175.852 1.478 18225 1918 1 6 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.343 0.831 18225 1919 1 6 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.348 0.536 18225 1920 1 6 . 1 1 29 29 ALA H H 29 8.189 8.189 7.499 0.690 18225 1921 1 6 . 1 1 30 30 LEU N N 30 117.292 117.292 119.673 -2.381 18225 1922 1 6 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.519 -0.440 18225 1923 1 6 . 1 1 30 30 LEU C C 30 177.377 177.377 176.443 0.934 18225 1924 1 6 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.719 1.515 18225 1925 1 6 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.316 0.098 18225 1926 1 6 . 1 1 30 30 LEU H H 30 7.873 7.873 8.074 -0.201 18225 1927 1 6 . 1 1 31 31 ILE N N 31 116.517 116.517 119.258 -2.741 18225 1928 1 6 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.112 -0.229 18225 1929 1 6 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.491 0.775 18225 1930 1 6 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.346 -0.590 18225 1931 1 6 . 1 1 31 31 ILE H H 31 8.262 8.262 8.055 0.207 18225 1932 1 6 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.434 -0.222 18225 1933 1 6 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.010 0.983 18225 1934 1 6 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.749 0.243 18225 1935 1 6 . 1 1 33 33 ALA N N 33 118.208 118.208 119.630 -1.422 18225 1936 1 6 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.324 -0.258 18225 1937 1 6 . 1 1 33 33 ALA C C 33 178.814 178.814 179.079 -0.265 18225 1938 1 6 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.558 2.131 18225 1939 1 6 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.685 -1.306 18225 1940 1 6 . 1 1 33 33 ALA H H 33 7.613 7.613 7.435 0.178 18225 1941 1 6 . 1 1 34 34 ILE N N 34 117.730 117.730 120.805 -3.075 18225 1942 1 6 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.694 -0.029 18225 1943 1 6 . 1 1 34 34 ILE C C 34 177.826 177.826 177.485 0.341 18225 1944 1 6 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.773 0.381 18225 1945 1 6 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.667 -0.384 18225 1946 1 6 . 1 1 34 34 ILE H H 34 8.259 8.259 7.487 0.772 18225 1947 1 6 . 1 1 35 35 TYR N N 35 118.693 118.693 119.722 -1.029 18225 1948 1 6 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.088 0.005 18225 1949 1 6 . 1 1 35 35 TYR C C 35 177.885 177.885 177.327 0.558 18225 1950 1 6 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.231 0.407 18225 1951 1 6 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.203 -0.279 18225 1952 1 6 . 1 1 35 35 TYR H H 35 8.347 8.347 7.862 0.485 18225 1953 1 6 . 1 1 36 36 MET N N 36 117.356 117.356 118.950 -1.594 18225 1954 1 6 . 1 1 36 36 MET HA H 36 4.220 4.220 3.541 0.679 18225 1955 1 6 . 1 1 36 36 MET C C 36 177.903 177.903 177.843 0.060 18225 1956 1 6 . 1 1 36 36 MET CA C 36 58.653 58.653 58.053 0.600 18225 1957 1 6 . 1 1 36 36 MET CB C 36 32.172 32.172 32.534 -0.362 18225 1958 1 6 . 1 1 36 36 MET H H 36 8.252 8.252 7.670 0.582 18225 1959 1 6 . 1 1 37 37 LEU N N 37 119.978 119.978 120.453 -0.475 18225 1960 1 6 . 1 1 37 37 LEU HA H 37 4.028 4.028 3.927 0.101 18225 1961 1 6 . 1 1 37 37 LEU C C 37 178.393 178.393 179.509 -1.116 18225 1962 1 6 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.835 0.807 18225 1963 1 6 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.677 0.312 18225 1964 1 6 . 1 1 37 37 LEU H H 37 8.301 8.301 8.311 -0.010 18225 1965 1 6 . 1 1 38 38 VAL N N 38 117.991 117.991 118.832 -0.841 18225 1966 1 6 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.565 -0.063 18225 1967 1 6 . 1 1 38 38 VAL C C 38 177.962 177.962 177.597 0.365 18225 1968 1 6 . 1 1 38 38 VAL CA C 38 67.155 67.155 66.401 0.754 18225 1969 1 6 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.066 0.349 18225 1970 1 6 . 1 1 38 38 VAL H H 38 8.414 8.414 7.792 0.622 18225 1971 1 6 . 1 1 39 39 PHE N N 39 119.830 119.830 119.034 0.796 18225 1972 1 6 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.201 -0.023 18225 1973 1 6 . 1 1 39 39 PHE C C 39 178.233 178.233 175.931 2.302 18225 1974 1 6 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.588 0.915 18225 1975 1 6 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.174 -0.116 18225 1976 1 6 . 1 1 39 39 PHE H H 39 8.337 8.337 7.378 0.959 18225 1977 1 6 . 1 1 40 40 LEU N N 40 119.985 119.985 116.825 3.160 18225 1978 1 6 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.077 -0.111 18225 1979 1 6 . 1 1 40 40 LEU C C 40 179.279 179.279 176.842 2.437 18225 1980 1 6 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.878 2.994 18225 1981 1 6 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.265 0.122 18225 1982 1 6 . 1 1 40 40 LEU H H 40 8.603 8.603 7.745 0.858 18225 1983 1 6 . 1 1 41 41 LEU N N 41 118.649 118.649 117.505 1.144 18225 1984 1 6 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.434 -0.390 18225 1985 1 6 . 1 1 41 41 LEU C C 41 178.670 178.670 177.272 1.398 18225 1986 1 6 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.269 3.414 18225 1987 1 6 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.806 -0.875 18225 1988 1 6 . 1 1 41 41 LEU H H 41 8.486 8.486 7.789 0.697 18225 1989 1 6 . 1 1 42 42 GLY N N 42 105.262 105.262 108.140 -2.878 18225 1990 1 6 . 1 1 42 42 GLY C C 42 174.814 174.814 174.696 0.118 18225 1991 1 6 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.119 -0.714 18225 1992 1 6 . 1 1 42 42 GLY H H 42 8.289 8.289 8.288 0.001 18225 1993 1 6 . 1 1 43 43 THR N N 43 111.955 111.955 114.111 -2.156 18225 1994 1 6 . 1 1 43 43 THR HA H 43 4.243 4.243 4.512 -0.269 18225 1995 1 6 . 1 1 43 43 THR C C 43 175.888 175.888 175.959 -0.071 18225 1996 1 6 . 1 1 43 43 THR CA C 43 63.505 63.505 63.133 0.372 18225 1997 1 6 . 1 1 43 43 THR CB C 43 69.598 69.598 69.515 0.083 18225 1998 1 6 . 1 1 43 43 THR H H 43 7.891 7.891 7.723 0.168 18225 1999 1 6 . 1 1 44 44 THR N N 44 111.997 111.997 119.308 -7.311 18225 2000 1 6 . 1 1 44 44 THR HA H 44 4.320 4.320 3.955 0.365 18225 2001 1 6 . 1 1 44 44 THR C C 44 175.543 175.543 175.840 -0.297 18225 2002 1 6 . 1 1 44 44 THR CA C 44 63.009 63.009 65.320 -2.311 18225 2003 1 6 . 1 1 44 44 THR CB C 44 69.881 69.881 68.380 1.501 18225 2004 1 6 . 1 1 44 44 THR H H 44 7.740 7.740 8.207 -0.467 18225 2005 1 6 . 1 1 45 45 GLY N N 45 109.564 109.564 109.617 -0.053 18225 2006 1 6 . 1 1 45 45 GLY C C 45 174.928 174.928 174.827 0.101 18225 2007 1 6 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.645 -0.225 18225 2008 1 6 . 1 1 45 45 GLY H H 45 8.243 8.243 8.489 -0.246 18225 2009 1 6 . 1 1 46 46 ASN N N 46 117.851 117.851 118.739 -0.888 18225 2010 1 6 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.840 -0.123 18225 2011 1 6 . 1 1 46 46 ASN C C 46 176.127 176.127 175.225 0.902 18225 2012 1 6 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.467 2.147 18225 2013 1 6 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.526 0.784 18225 2014 1 6 . 1 1 46 46 ASN H H 46 8.170 8.170 7.582 0.588 18225 2015 1 6 . 1 1 47 47 GLY N N 47 108.287 108.287 106.101 2.186 18225 2016 1 6 . 1 1 47 47 GLY C C 47 174.612 174.612 173.736 0.876 18225 2017 1 6 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.473 1.768 18225 2018 1 6 . 1 1 47 47 GLY H H 47 8.663 8.663 8.623 0.040 18225 2019 1 6 . 1 1 48 48 LEU N N 48 120.479 120.479 120.881 -0.402 18225 2020 1 6 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.617 -0.349 18225 2021 1 6 . 1 1 48 48 LEU C C 48 179.407 179.407 177.123 2.284 18225 2022 1 6 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.562 2.030 18225 2023 1 6 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.863 -1.125 18225 2024 1 6 . 1 1 48 48 LEU H H 48 8.149 8.149 7.720 0.429 18225 2025 1 6 . 1 1 49 49 VAL N N 49 119.968 119.968 115.167 4.801 18225 2026 1 6 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.086 -0.270 18225 2027 1 6 . 1 1 49 49 VAL C C 49 177.444 177.444 175.709 1.735 18225 2028 1 6 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.840 2.103 18225 2029 1 6 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.198 0.480 18225 2030 1 6 . 1 1 49 49 VAL H H 49 7.969 7.969 8.017 -0.048 18225 2031 1 6 . 1 1 50 50 LEU N N 50 119.329 119.329 112.725 6.604 18225 2032 1 6 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.812 -0.800 18225 2033 1 6 . 1 1 50 50 LEU C C 50 178.085 178.085 176.382 1.703 18225 2034 1 6 . 1 1 50 50 LEU CA C 50 57.917 57.917 54.739 3.178 18225 2035 1 6 . 1 1 50 50 LEU CB C 50 41.706 41.706 40.854 0.852 18225 2036 1 6 . 1 1 50 50 LEU H H 50 7.814 7.814 7.495 0.319 18225 2037 1 6 . 1 1 51 51 TRP N N 51 118.186 118.186 123.810 -5.624 18225 2038 1 6 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.764 -0.275 18225 2039 1 6 . 1 1 51 51 TRP C C 51 177.377 177.377 178.121 -0.744 18225 2040 1 6 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.575 0.482 18225 2041 1 6 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.121 -0.340 18225 2042 1 6 . 1 1 51 51 TRP H H 51 8.125 8.125 7.553 0.572 18225 2043 1 6 . 1 1 52 52 THR N N 52 113.180 113.180 115.553 -2.373 18225 2044 1 6 . 1 1 52 52 THR HA H 52 3.787 3.787 3.025 0.762 18225 2045 1 6 . 1 1 52 52 THR C C 52 176.309 176.309 175.691 0.618 18225 2046 1 6 . 1 1 52 52 THR CA C 52 66.473 66.473 64.878 1.595 18225 2047 1 6 . 1 1 52 52 THR CB C 52 68.865 68.865 67.902 0.963 18225 2048 1 6 . 1 1 52 52 THR H H 52 8.079 8.079 8.242 -0.163 18225 2049 1 6 . 1 1 53 53 VAL N N 53 119.953 119.953 117.893 2.060 18225 2050 1 6 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.705 -0.057 18225 2051 1 6 . 1 1 53 53 VAL C C 53 177.252 177.252 177.159 0.093 18225 2052 1 6 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.075 1.011 18225 2053 1 6 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.543 0.161 18225 2054 1 6 . 1 1 53 53 VAL H H 53 7.913 7.913 8.082 -0.169 18225 2055 1 6 . 1 1 54 54 PHE N N 54 118.204 118.204 120.183 -1.979 18225 2056 1 6 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.139 0.108 18225 2057 1 6 . 1 1 54 54 PHE C C 54 177.144 177.144 175.597 1.547 18225 2058 1 6 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.570 -1.116 18225 2059 1 6 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.344 -0.228 18225 2060 1 6 . 1 1 54 54 PHE H H 54 8.030 8.030 7.783 0.247 18225 2061 1 6 . 1 1 55 55 ARG N N 55 117.725 117.725 115.183 2.542 18225 2062 1 6 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.318 -0.434 18225 2063 1 6 . 1 1 55 55 ARG C C 55 177.443 177.443 175.856 1.587 18225 2064 1 6 . 1 1 55 55 ARG CA C 55 57.554 57.554 55.573 1.981 18225 2065 1 6 . 1 1 55 55 ARG CB C 55 29.807 29.807 28.901 0.906 18225 2066 1 6 . 1 1 55 55 ARG H H 55 8.034 8.034 7.606 0.428 18225 2067 1 6 . 1 1 56 56 LYS N N 56 118.622 118.622 120.168 -1.546 18225 2068 1 6 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.057 0.107 18225 2069 1 6 . 1 1 56 56 LYS C C 56 177.418 177.418 177.715 -0.297 18225 2070 1 6 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.924 -0.407 18225 2071 1 6 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.751 0.057 18225 2072 1 6 . 1 1 56 56 LYS H H 56 7.804 7.804 7.417 0.387 18225 2073 1 6 . 1 1 57 57 LYS N N 57 118.937 118.937 117.669 1.268 18225 2074 1 6 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.991 0.267 18225 2075 1 6 . 1 1 57 57 LYS C C 57 177.029 177.029 177.163 -0.134 18225 2076 1 6 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.846 -1.236 18225 2077 1 6 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.197 0.681 18225 2078 1 6 . 1 1 57 57 LYS H H 57 7.974 7.974 7.692 0.282 18225 2079 1 6 . 1 1 58 58 GLY N N 58 107.785 107.785 107.653 0.132 18225 2080 1 6 . 1 1 58 58 GLY C C 58 173.543 173.543 172.444 1.099 18225 2081 1 6 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.164 1.309 18225 2082 1 6 . 1 1 58 58 GLY H H 58 8.136 8.136 8.022 0.114 18225 2083 1 6 . 1 1 59 59 HIS N N 59 117.024 117.024 118.647 -1.623 18225 2084 1 6 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.643 -0.021 18225 2085 1 6 . 1 1 59 59 HIS C C 59 174.183 174.183 173.945 0.238 18225 2086 1 6 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.792 0.489 18225 2087 1 6 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.782 -0.701 18225 2088 1 6 . 1 1 59 59 HIS H H 59 8.163 8.163 7.951 0.212 18225 2089 1 6 . 1 1 60 60 HIS N N 60 118.841 118.841 121.927 -3.086 18225 2090 1 6 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.042 0.588 18225 2091 1 6 . 1 1 60 60 HIS C C 60 174.157 174.157 174.715 -0.558 18225 2092 1 6 . 1 1 60 60 HIS CA C 60 55.340 55.340 57.894 -2.554 18225 2093 1 6 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.710 -0.606 18225 2094 1 6 . 1 1 60 60 HIS H H 60 8.507 8.507 8.729 -0.222 18225 2095 1 6 . 1 1 61 61 HIS N N 61 119.636 119.636 118.374 1.262 18225 2096 1 6 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.440 0.214 18225 2097 1 6 . 1 1 61 61 HIS C C 61 174.095 174.095 175.204 -1.109 18225 2098 1 6 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.051 -0.723 18225 2099 1 6 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.483 -1.249 18225 2100 1 6 . 1 1 61 61 HIS H H 61 8.613 8.613 8.254 0.359 18225 2101 1 6 . 1 1 62 62 HIS N N 62 120.286 120.286 120.459 -0.173 18225 2102 1 6 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.215 0.445 18225 2103 1 6 . 1 1 62 62 HIS C C 62 173.928 173.928 174.057 -0.129 18225 2104 1 6 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.828 -1.472 18225 2105 1 6 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.613 -1.284 18225 2106 1 6 . 1 1 62 62 HIS H H 62 8.680 8.680 8.337 0.343 18225 2107 1 6 . 1 1 63 63 HIS N N 63 120.408 120.408 118.674 1.734 18225 2108 1 6 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.642 0.007 18225 2109 1 6 . 1 1 63 63 HIS C C 63 173.437 173.437 174.606 -1.169 18225 2110 1 6 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.789 -0.225 18225 2111 1 6 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.591 -0.108 18225 2112 1 6 . 1 1 63 63 HIS H H 63 8.541 8.541 9.099 -0.558 18225 2113 1 7 . 1 1 2 2 GLU N N 2 123.432 123.432 120.511 2.921 18225 2114 1 7 . 1 1 2 2 GLU HA H 2 4.409 4.409 3.987 0.422 18225 2115 1 7 . 1 1 2 2 GLU C C 2 175.510 175.510 175.679 -0.169 18225 2116 1 7 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.894 -0.678 18225 2117 1 7 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.012 0.526 18225 2118 1 7 . 1 1 2 2 GLU H H 2 8.824 8.824 8.723 0.101 18225 2119 1 7 . 1 1 3 3 GLU N N 3 121.813 121.813 119.974 1.839 18225 2120 1 7 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.090 0.288 18225 2121 1 7 . 1 1 3 3 GLU C C 3 176.299 176.299 177.561 -1.262 18225 2122 1 7 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.644 -1.352 18225 2123 1 7 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.126 -0.674 18225 2124 1 7 . 1 1 3 3 GLU H H 3 8.546 8.546 8.296 0.250 18225 2125 1 7 . 1 1 4 4 GLY N N 4 109.619 109.619 106.832 2.787 18225 2126 1 7 . 1 1 4 4 GLY C C 4 174.449 174.449 174.775 -0.326 18225 2127 1 7 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.985 0.545 18225 2128 1 7 . 1 1 4 4 GLY H H 4 8.463 8.463 8.978 -0.515 18225 2129 1 7 . 1 1 5 5 GLY N N 5 108.241 108.241 108.542 -0.301 18225 2130 1 7 . 1 1 5 5 GLY C C 5 173.965 173.965 175.183 -1.218 18225 2131 1 7 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.334 1.118 18225 2132 1 7 . 1 1 5 5 GLY H H 5 8.220 8.220 7.990 0.230 18225 2133 1 7 . 1 1 6 6 ASP N N 6 119.184 119.184 122.451 -3.267 18225 2134 1 7 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.443 0.155 18225 2135 1 7 . 1 1 6 6 ASP C C 6 175.801 175.801 177.005 -1.204 18225 2136 1 7 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.825 -1.913 18225 2137 1 7 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.088 -1.753 18225 2138 1 7 . 1 1 6 6 ASP H H 6 8.329 8.329 8.560 -0.231 18225 2139 1 7 . 1 1 7 7 PHE N N 7 119.589 119.589 113.835 5.754 18225 2140 1 7 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.707 -0.227 18225 2141 1 7 . 1 1 7 7 PHE C C 7 175.881 175.881 173.986 1.895 18225 2142 1 7 . 1 1 7 7 PHE CA C 7 58.821 58.821 55.056 3.765 18225 2143 1 7 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.175 0.908 18225 2144 1 7 . 1 1 7 7 PHE H H 7 8.342 8.342 7.439 0.903 18225 2145 1 7 . 1 1 8 8 ASP N N 8 118.430 118.430 123.556 -5.126 18225 2146 1 7 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.090 0.366 18225 2147 1 7 . 1 1 8 8 ASP C C 8 175.642 175.642 176.562 -0.920 18225 2148 1 7 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.715 -0.112 18225 2149 1 7 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.279 -2.695 18225 2150 1 7 . 1 1 8 8 ASP H H 8 8.223 8.223 7.825 0.398 18225 2151 1 7 . 1 1 9 9 ASN N N 9 117.097 117.097 123.964 -6.867 18225 2152 1 7 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.079 0.480 18225 2153 1 7 . 1 1 9 9 ASN C C 9 175.264 175.264 174.958 0.306 18225 2154 1 7 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.676 1.168 18225 2155 1 7 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.310 0.405 18225 2156 1 7 . 1 1 9 9 ASN H H 9 8.069 8.069 8.438 -0.369 18225 2157 1 7 . 1 1 10 10 TYR N N 10 119.007 119.007 114.472 4.535 18225 2158 1 7 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.150 0.199 18225 2159 1 7 . 1 1 10 10 TYR C C 10 175.387 175.387 175.804 -0.417 18225 2160 1 7 . 1 1 10 10 TYR CA C 10 59.194 59.194 59.994 -0.800 18225 2161 1 7 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.172 2.656 18225 2162 1 7 . 1 1 10 10 TYR H H 10 7.901 7.901 7.449 0.452 18225 2163 1 7 . 1 1 11 11 TYR N N 11 117.992 117.992 118.345 -0.353 18225 2164 1 7 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.163 0.280 18225 2165 1 7 . 1 1 11 11 TYR C C 11 175.765 175.765 176.273 -0.508 18225 2166 1 7 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.071 -0.699 18225 2167 1 7 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.866 0.928 18225 2168 1 7 . 1 1 11 11 TYR H H 11 7.885 7.885 8.115 -0.230 18225 2169 1 7 . 1 1 12 12 GLY N N 12 108.601 108.601 106.465 2.136 18225 2170 1 7 . 1 1 12 12 GLY C C 12 173.934 173.934 174.058 -0.124 18225 2171 1 7 . 1 1 12 12 GLY CA C 12 45.489 45.489 46.164 -0.675 18225 2172 1 7 . 1 1 12 12 GLY H H 12 7.861 7.861 8.620 -0.759 18225 2173 1 7 . 1 1 13 13 ALA N N 13 122.926 122.926 123.326 -0.400 18225 2174 1 7 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.861 0.418 18225 2175 1 7 . 1 1 13 13 ALA C C 13 177.457 177.457 179.343 -1.886 18225 2176 1 7 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.712 -1.930 18225 2177 1 7 . 1 1 13 13 ALA CB C 13 19.447 19.447 16.786 2.661 18225 2178 1 7 . 1 1 13 13 ALA H H 13 7.985 7.985 7.683 0.302 18225 2179 1 7 . 1 1 14 14 ASP N N 14 117.380 117.380 121.755 -4.375 18225 2180 1 7 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.410 0.230 18225 2181 1 7 . 1 1 14 14 ASP C C 14 175.428 175.428 178.460 -3.032 18225 2182 1 7 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.652 -2.980 18225 2183 1 7 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.504 -1.139 18225 2184 1 7 . 1 1 14 14 ASP H H 14 8.330 8.330 8.586 -0.256 18225 2185 1 7 . 1 1 15 15 ASN N N 15 118.465 118.465 116.861 1.604 18225 2186 1 7 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.532 0.107 18225 2187 1 7 . 1 1 15 15 ASN C C 15 175.467 175.467 175.355 0.112 18225 2188 1 7 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.391 -1.734 18225 2189 1 7 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.817 0.151 18225 2190 1 7 . 1 1 15 15 ASN H H 15 8.207 8.207 7.947 0.260 18225 2191 1 7 . 1 1 16 16 GLN N N 16 119.741 119.741 115.656 4.085 18225 2192 1 7 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.506 -0.191 18225 2193 1 7 . 1 1 16 16 GLN C C 16 176.350 176.350 175.046 1.304 18225 2194 1 7 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.498 1.141 18225 2195 1 7 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.711 0.385 18225 2196 1 7 . 1 1 16 16 GLN H H 16 8.292 8.292 7.731 0.561 18225 2197 1 7 . 1 1 17 17 SER N N 17 115.772 115.772 115.249 0.523 18225 2198 1 7 . 1 1 17 17 SER HA H 17 4.390 4.390 4.739 -0.349 18225 2199 1 7 . 1 1 17 17 SER C C 17 174.799 174.799 172.707 2.092 18225 2200 1 7 . 1 1 17 17 SER CA C 17 59.165 59.165 57.311 1.854 18225 2201 1 7 . 1 1 17 17 SER CB C 17 63.651 63.651 66.025 -2.374 18225 2202 1 7 . 1 1 17 17 SER H H 17 8.224 8.224 8.197 0.027 18225 2203 1 7 . 1 1 18 18 GLU N N 18 121.211 121.211 121.773 -0.562 18225 2204 1 7 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.210 0.108 18225 2205 1 7 . 1 1 18 18 GLU C C 18 176.201 176.201 175.305 0.896 18225 2206 1 7 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.519 -0.794 18225 2207 1 7 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.047 0.918 18225 2208 1 7 . 1 1 18 18 GLU H H 18 8.285 8.285 8.636 -0.351 18225 2209 1 7 . 1 1 19 19 CYS N N 19 118.653 118.653 123.840 -5.187 18225 2210 1 7 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.398 0.025 18225 2211 1 7 . 1 1 19 19 CYS C C 19 174.698 174.698 173.289 1.409 18225 2212 1 7 . 1 1 19 19 CYS CA C 19 59.075 59.075 57.630 1.444 18225 2213 1 7 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.331 -0.481 18225 2214 1 7 . 1 1 19 19 CYS H H 19 8.202 8.202 8.047 0.155 18225 2215 1 7 . 1 1 20 20 GLU N N 20 121.851 121.851 120.463 1.388 18225 2216 1 7 . 1 1 20 20 GLU HA H 20 4.265 4.265 3.999 0.266 18225 2217 1 7 . 1 1 20 20 GLU C C 20 176.100 176.100 175.294 0.806 18225 2218 1 7 . 1 1 20 20 GLU CA C 20 56.822 56.822 58.263 -1.441 18225 2219 1 7 . 1 1 20 20 GLU CB C 20 28.976 28.976 28.255 0.721 18225 2220 1 7 . 1 1 20 20 GLU H H 20 8.349 8.349 8.598 -0.249 18225 2221 1 7 . 1 1 21 21 TYR N N 21 118.491 118.491 114.591 3.900 18225 2222 1 7 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.004 -0.586 18225 2223 1 7 . 1 1 21 21 TYR C C 21 175.881 175.881 175.175 0.706 18225 2224 1 7 . 1 1 21 21 TYR CA C 21 58.731 58.731 56.417 2.314 18225 2225 1 7 . 1 1 21 21 TYR CB C 21 38.626 38.626 37.712 0.914 18225 2226 1 7 . 1 1 21 21 TYR H H 21 7.974 7.974 7.853 0.121 18225 2227 1 7 . 1 1 22 22 THR N N 22 112.161 112.161 112.114 0.047 18225 2228 1 7 . 1 1 22 22 THR HA H 22 4.105 4.105 4.197 -0.092 18225 2229 1 7 . 1 1 22 22 THR C C 22 174.666 174.666 174.233 0.433 18225 2230 1 7 . 1 1 22 22 THR CA C 22 63.190 63.190 62.482 0.708 18225 2231 1 7 . 1 1 22 22 THR CB C 22 69.306 69.306 69.429 -0.123 18225 2232 1 7 . 1 1 22 22 THR H H 22 7.747 7.747 7.861 -0.114 18225 2233 1 7 . 1 1 23 23 ASP N N 23 120.529 120.529 124.046 -3.517 18225 2234 1 7 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.632 0.022 18225 2235 1 7 . 1 1 23 23 ASP C C 23 176.119 176.119 175.810 0.309 18225 2236 1 7 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.836 -1.933 18225 2237 1 7 . 1 1 23 23 ASP CB C 23 39.138 39.138 38.820 0.318 18225 2238 1 7 . 1 1 23 23 ASP H H 23 8.114 8.114 8.839 -0.725 18225 2239 1 7 . 1 1 24 24 TRP N N 24 121.466 121.466 116.735 4.731 18225 2240 1 7 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.713 -0.237 18225 2241 1 7 . 1 1 24 24 TRP C C 24 176.578 176.578 174.696 1.882 18225 2242 1 7 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.371 0.940 18225 2243 1 7 . 1 1 24 24 TRP CB C 24 29.186 29.186 30.012 -0.826 18225 2244 1 7 . 1 1 24 24 TRP H H 24 8.034 8.034 7.775 0.259 18225 2245 1 7 . 1 1 25 25 LYS N N 25 119.430 119.430 124.241 -4.811 18225 2246 1 7 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.639 1.406 18225 2247 1 7 . 1 1 25 25 LYS C C 25 176.798 176.798 175.680 1.118 18225 2248 1 7 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.635 1.126 18225 2249 1 7 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.361 1.048 18225 2250 1 7 . 1 1 25 25 LYS H H 25 7.880 7.880 6.666 1.214 18225 2251 1 7 . 1 1 26 26 SER N N 26 113.780 113.780 118.329 -4.549 18225 2252 1 7 . 1 1 26 26 SER HA H 26 4.461 4.461 4.314 0.147 18225 2253 1 7 . 1 1 26 26 SER C C 26 174.957 174.957 173.628 1.329 18225 2254 1 7 . 1 1 26 26 SER CA C 26 58.760 58.760 58.559 0.202 18225 2255 1 7 . 1 1 26 26 SER CB C 26 63.889 63.889 62.589 1.300 18225 2256 1 7 . 1 1 26 26 SER H H 26 7.893 7.893 7.947 -0.054 18225 2257 1 7 . 1 1 27 27 SER N N 27 116.730 116.730 118.505 -1.775 18225 2258 1 7 . 1 1 27 27 SER HA H 27 4.328 4.328 4.414 -0.086 18225 2259 1 7 . 1 1 27 27 SER C C 27 175.563 175.563 176.110 -0.547 18225 2260 1 7 . 1 1 27 27 SER CA C 27 59.856 59.856 60.605 -0.750 18225 2261 1 7 . 1 1 27 27 SER CB C 27 63.819 63.819 63.284 0.535 18225 2262 1 7 . 1 1 27 27 SER H H 27 8.137 8.137 8.790 -0.653 18225 2263 1 7 . 1 1 28 28 GLY N N 28 110.734 110.734 109.327 1.407 18225 2264 1 7 . 1 1 28 28 GLY C C 28 174.314 174.314 173.382 0.932 18225 2265 1 7 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.409 0.716 18225 2266 1 7 . 1 1 28 28 GLY H H 28 8.477 8.477 8.253 0.224 18225 2267 1 7 . 1 1 29 29 ALA N N 29 121.690 121.690 120.424 1.266 18225 2268 1 7 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.146 0.143 18225 2269 1 7 . 1 1 29 29 ALA C C 29 177.330 177.330 176.865 0.465 18225 2270 1 7 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.427 0.747 18225 2271 1 7 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.222 2.662 18225 2272 1 7 . 1 1 29 29 ALA H H 29 8.189 8.189 7.968 0.221 18225 2273 1 7 . 1 1 30 30 LEU N N 30 117.292 117.292 113.288 4.004 18225 2274 1 7 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.546 -0.467 18225 2275 1 7 . 1 1 30 30 LEU C C 30 177.377 177.377 176.763 0.614 18225 2276 1 7 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.684 3.550 18225 2277 1 7 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.195 0.219 18225 2278 1 7 . 1 1 30 30 LEU H H 30 7.873 7.873 8.041 -0.168 18225 2279 1 7 . 1 1 31 31 ILE N N 31 116.517 116.517 120.682 -4.165 18225 2280 1 7 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.185 -0.302 18225 2281 1 7 . 1 1 31 31 ILE CA C 31 66.266 66.266 64.839 1.427 18225 2282 1 7 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.530 -0.774 18225 2283 1 7 . 1 1 31 31 ILE H H 31 8.262 8.262 8.185 0.077 18225 2284 1 7 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.578 -0.366 18225 2285 1 7 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.390 2.603 18225 2286 1 7 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.623 0.369 18225 2287 1 7 . 1 1 33 33 ALA N N 33 118.208 118.208 120.809 -2.601 18225 2288 1 7 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.421 -0.355 18225 2289 1 7 . 1 1 33 33 ALA C C 33 178.814 178.814 177.901 0.913 18225 2290 1 7 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.154 2.535 18225 2291 1 7 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.540 -2.161 18225 2292 1 7 . 1 1 33 33 ALA H H 33 7.613 7.613 7.549 0.064 18225 2293 1 7 . 1 1 34 34 ILE N N 34 117.730 117.730 116.965 0.765 18225 2294 1 7 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.044 -0.379 18225 2295 1 7 . 1 1 34 34 ILE C C 34 177.826 177.826 176.471 1.355 18225 2296 1 7 . 1 1 34 34 ILE CA C 34 65.154 65.154 62.742 2.412 18225 2297 1 7 . 1 1 34 34 ILE CB C 34 37.283 37.283 39.392 -2.110 18225 2298 1 7 . 1 1 34 34 ILE H H 34 8.259 8.259 7.465 0.794 18225 2299 1 7 . 1 1 35 35 TYR N N 35 118.693 118.693 118.513 0.180 18225 2300 1 7 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.323 -0.230 18225 2301 1 7 . 1 1 35 35 TYR C C 35 177.885 177.885 176.960 0.925 18225 2302 1 7 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.940 0.698 18225 2303 1 7 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.520 -1.596 18225 2304 1 7 . 1 1 35 35 TYR H H 35 8.347 8.347 7.786 0.561 18225 2305 1 7 . 1 1 36 36 MET N N 36 117.356 117.356 117.683 -0.327 18225 2306 1 7 . 1 1 36 36 MET HA H 36 4.220 4.220 4.447 -0.227 18225 2307 1 7 . 1 1 36 36 MET C C 36 177.903 177.903 177.630 0.273 18225 2308 1 7 . 1 1 36 36 MET CA C 36 58.653 58.653 58.191 0.462 18225 2309 1 7 . 1 1 36 36 MET CB C 36 32.172 32.172 32.910 -0.738 18225 2310 1 7 . 1 1 36 36 MET H H 36 8.252 8.252 7.822 0.430 18225 2311 1 7 . 1 1 37 37 LEU N N 37 119.978 119.978 118.103 1.875 18225 2312 1 7 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.254 -0.226 18225 2313 1 7 . 1 1 37 37 LEU C C 37 178.393 178.393 176.861 1.532 18225 2314 1 7 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.821 2.821 18225 2315 1 7 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.416 1.573 18225 2316 1 7 . 1 1 37 37 LEU H H 37 8.301 8.301 8.188 0.113 18225 2317 1 7 . 1 1 38 38 VAL N N 38 117.991 117.991 116.348 1.643 18225 2318 1 7 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.167 -0.665 18225 2319 1 7 . 1 1 38 38 VAL C C 38 177.962 177.962 175.568 2.394 18225 2320 1 7 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.255 3.900 18225 2321 1 7 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.611 -2.196 18225 2322 1 7 . 1 1 38 38 VAL H H 38 8.414 8.414 7.216 1.198 18225 2323 1 7 . 1 1 39 39 PHE N N 39 119.830 119.830 122.784 -2.954 18225 2324 1 7 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.566 -0.388 18225 2325 1 7 . 1 1 39 39 PHE C C 39 178.233 178.233 175.515 2.718 18225 2326 1 7 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.453 1.050 18225 2327 1 7 . 1 1 39 39 PHE CB C 39 39.058 39.058 41.030 -1.972 18225 2328 1 7 . 1 1 39 39 PHE H H 39 8.337 8.337 7.765 0.572 18225 2329 1 7 . 1 1 40 40 LEU N N 40 119.985 119.985 114.915 5.070 18225 2330 1 7 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.121 -0.155 18225 2331 1 7 . 1 1 40 40 LEU C C 40 179.279 179.279 176.456 2.823 18225 2332 1 7 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.006 2.866 18225 2333 1 7 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.337 1.050 18225 2334 1 7 . 1 1 40 40 LEU H H 40 8.603 8.603 7.389 1.214 18225 2335 1 7 . 1 1 41 41 LEU N N 41 118.649 118.649 118.225 0.424 18225 2336 1 7 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.378 -0.334 18225 2337 1 7 . 1 1 41 41 LEU C C 41 178.670 178.670 177.080 1.590 18225 2338 1 7 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.201 2.482 18225 2339 1 7 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.525 -0.594 18225 2340 1 7 . 1 1 41 41 LEU H H 41 8.486 8.486 7.467 1.019 18225 2341 1 7 . 1 1 42 42 GLY N N 42 105.262 105.262 106.563 -1.301 18225 2342 1 7 . 1 1 42 42 GLY C C 42 174.814 174.814 174.676 0.138 18225 2343 1 7 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.215 1.190 18225 2344 1 7 . 1 1 42 42 GLY H H 42 8.289 8.289 8.165 0.124 18225 2345 1 7 . 1 1 43 43 THR N N 43 111.955 111.955 113.067 -1.112 18225 2346 1 7 . 1 1 43 43 THR HA H 43 4.243 4.243 4.331 -0.088 18225 2347 1 7 . 1 1 43 43 THR C C 43 175.888 175.888 175.466 0.422 18225 2348 1 7 . 1 1 43 43 THR CA C 43 63.505 63.505 62.309 1.196 18225 2349 1 7 . 1 1 43 43 THR CB C 43 69.598 69.598 69.666 -0.068 18225 2350 1 7 . 1 1 43 43 THR H H 43 7.891 7.891 7.376 0.515 18225 2351 1 7 . 1 1 44 44 THR N N 44 111.997 111.997 118.176 -6.179 18225 2352 1 7 . 1 1 44 44 THR HA H 44 4.320 4.320 3.856 0.464 18225 2353 1 7 . 1 1 44 44 THR C C 44 175.543 175.543 176.079 -0.536 18225 2354 1 7 . 1 1 44 44 THR CA C 44 63.009 63.009 65.850 -2.841 18225 2355 1 7 . 1 1 44 44 THR CB C 44 69.881 69.881 68.446 1.435 18225 2356 1 7 . 1 1 44 44 THR H H 44 7.740 7.740 7.597 0.143 18225 2357 1 7 . 1 1 45 45 GLY N N 45 109.564 109.564 109.161 0.403 18225 2358 1 7 . 1 1 45 45 GLY C C 45 174.928 174.928 174.503 0.425 18225 2359 1 7 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.639 0.781 18225 2360 1 7 . 1 1 45 45 GLY H H 45 8.243 8.243 8.371 -0.128 18225 2361 1 7 . 1 1 46 46 ASN N N 46 117.851 117.851 117.572 0.279 18225 2362 1 7 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.670 0.047 18225 2363 1 7 . 1 1 46 46 ASN C C 46 176.127 176.127 175.292 0.835 18225 2364 1 7 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.453 2.162 18225 2365 1 7 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.402 -0.091 18225 2366 1 7 . 1 1 46 46 ASN H H 46 8.170 8.170 7.903 0.267 18225 2367 1 7 . 1 1 47 47 GLY N N 47 108.287 108.287 107.168 1.119 18225 2368 1 7 . 1 1 47 47 GLY C C 47 174.612 174.612 174.082 0.530 18225 2369 1 7 . 1 1 47 47 GLY CA C 47 47.241 47.241 46.344 0.897 18225 2370 1 7 . 1 1 47 47 GLY H H 47 8.663 8.663 8.344 0.319 18225 2371 1 7 . 1 1 48 48 LEU N N 48 120.479 120.479 119.903 0.576 18225 2372 1 7 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.650 -0.382 18225 2373 1 7 . 1 1 48 48 LEU C C 48 179.407 179.407 177.634 1.773 18225 2374 1 7 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.471 2.121 18225 2375 1 7 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.804 -1.067 18225 2376 1 7 . 1 1 48 48 LEU H H 48 8.149 8.149 7.758 0.391 18225 2377 1 7 . 1 1 49 49 VAL N N 49 119.968 119.968 115.151 4.817 18225 2378 1 7 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.248 -0.432 18225 2379 1 7 . 1 1 49 49 VAL C C 49 177.444 177.444 175.743 1.701 18225 2380 1 7 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.757 2.186 18225 2381 1 7 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.877 -0.199 18225 2382 1 7 . 1 1 49 49 VAL H H 49 7.969 7.969 7.851 0.118 18225 2383 1 7 . 1 1 50 50 LEU N N 50 119.329 119.329 114.499 4.830 18225 2384 1 7 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.817 -0.805 18225 2385 1 7 . 1 1 50 50 LEU C C 50 178.085 178.085 176.780 1.305 18225 2386 1 7 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.144 2.773 18225 2387 1 7 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.490 -0.784 18225 2388 1 7 . 1 1 50 50 LEU H H 50 7.814 7.814 8.130 -0.316 18225 2389 1 7 . 1 1 51 51 TRP N N 51 118.186 118.186 123.054 -4.868 18225 2390 1 7 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.839 -0.350 18225 2391 1 7 . 1 1 51 51 TRP C C 51 177.377 177.377 177.945 -0.568 18225 2392 1 7 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.125 0.933 18225 2393 1 7 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.013 -0.232 18225 2394 1 7 . 1 1 51 51 TRP H H 51 8.125 8.125 7.868 0.257 18225 2395 1 7 . 1 1 52 52 THR N N 52 113.180 113.180 116.080 -2.900 18225 2396 1 7 . 1 1 52 52 THR HA H 52 3.787 3.787 2.546 1.241 18225 2397 1 7 . 1 1 52 52 THR C C 52 176.309 176.309 176.152 0.157 18225 2398 1 7 . 1 1 52 52 THR CA C 52 66.473 66.473 65.793 0.680 18225 2399 1 7 . 1 1 52 52 THR CB C 52 68.865 68.865 67.720 1.145 18225 2400 1 7 . 1 1 52 52 THR H H 52 8.079 8.079 7.907 0.172 18225 2401 1 7 . 1 1 53 53 VAL N N 53 119.953 119.953 120.429 -0.476 18225 2402 1 7 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.549 0.099 18225 2403 1 7 . 1 1 53 53 VAL C C 53 177.252 177.252 177.906 -0.654 18225 2404 1 7 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.484 0.602 18225 2405 1 7 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.566 0.138 18225 2406 1 7 . 1 1 53 53 VAL H H 53 7.913 7.913 7.890 0.023 18225 2407 1 7 . 1 1 54 54 PHE N N 54 118.204 118.204 119.072 -0.868 18225 2408 1 7 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.364 -0.117 18225 2409 1 7 . 1 1 54 54 PHE C C 54 177.144 177.144 176.927 0.217 18225 2410 1 7 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.190 -0.736 18225 2411 1 7 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.346 -0.230 18225 2412 1 7 . 1 1 54 54 PHE H H 54 8.030 8.030 8.431 -0.401 18225 2413 1 7 . 1 1 55 55 ARG N N 55 117.725 117.725 119.243 -1.518 18225 2414 1 7 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.086 -0.202 18225 2415 1 7 . 1 1 55 55 ARG C C 55 177.443 177.443 178.839 -1.396 18225 2416 1 7 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.812 -0.258 18225 2417 1 7 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.533 0.274 18225 2418 1 7 . 1 1 55 55 ARG H H 55 8.034 8.034 8.005 0.029 18225 2419 1 7 . 1 1 56 56 LYS N N 56 118.622 118.622 119.706 -1.084 18225 2420 1 7 . 1 1 56 56 LYS HA H 56 4.164 4.164 3.900 0.264 18225 2421 1 7 . 1 1 56 56 LYS C C 56 177.418 177.418 178.415 -0.997 18225 2422 1 7 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.345 -0.828 18225 2423 1 7 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.871 0.937 18225 2424 1 7 . 1 1 56 56 LYS H H 56 7.804 7.804 8.315 -0.511 18225 2425 1 7 . 1 1 57 57 LYS N N 57 118.937 118.937 117.470 1.467 18225 2426 1 7 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.832 0.426 18225 2427 1 7 . 1 1 57 57 LYS C C 57 177.029 177.029 177.757 -0.728 18225 2428 1 7 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.778 -1.168 18225 2429 1 7 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.234 0.644 18225 2430 1 7 . 1 1 57 57 LYS H H 57 7.974 7.974 7.431 0.543 18225 2431 1 7 . 1 1 58 58 GLY N N 58 107.785 107.785 105.478 2.307 18225 2432 1 7 . 1 1 58 58 GLY C C 58 173.543 173.543 173.680 -0.137 18225 2433 1 7 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.461 0.012 18225 2434 1 7 . 1 1 58 58 GLY H H 58 8.136 8.136 7.473 0.663 18225 2435 1 7 . 1 1 59 59 HIS N N 59 117.024 117.024 112.444 4.580 18225 2436 1 7 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.936 0.686 18225 2437 1 7 . 1 1 59 59 HIS C C 59 174.183 174.183 175.427 -1.244 18225 2438 1 7 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.275 -0.994 18225 2439 1 7 . 1 1 59 59 HIS CB C 59 29.081 29.081 26.419 2.662 18225 2440 1 7 . 1 1 59 59 HIS H H 59 8.163 8.163 8.126 0.037 18225 2441 1 7 . 1 1 60 60 HIS N N 60 118.841 118.841 119.722 -0.881 18225 2442 1 7 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.588 0.042 18225 2443 1 7 . 1 1 60 60 HIS C C 60 174.157 174.157 175.037 -0.880 18225 2444 1 7 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.150 0.190 18225 2445 1 7 . 1 1 60 60 HIS CB C 60 29.104 29.104 27.779 1.325 18225 2446 1 7 . 1 1 60 60 HIS H H 60 8.507 8.507 7.879 0.628 18225 2447 1 7 . 1 1 61 61 HIS N N 61 119.636 119.636 120.108 -0.472 18225 2448 1 7 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.358 0.296 18225 2449 1 7 . 1 1 61 61 HIS C C 61 174.095 174.095 175.500 -1.405 18225 2450 1 7 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.761 -0.432 18225 2451 1 7 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.867 -1.633 18225 2452 1 7 . 1 1 61 61 HIS H H 61 8.613 8.613 8.105 0.508 18225 2453 1 7 . 1 1 62 62 HIS N N 62 120.286 120.286 119.937 0.349 18225 2454 1 7 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.848 -0.188 18225 2455 1 7 . 1 1 62 62 HIS C C 62 173.928 173.928 174.259 -0.331 18225 2456 1 7 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.303 0.053 18225 2457 1 7 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.314 -0.985 18225 2458 1 7 . 1 1 62 62 HIS H H 62 8.680 8.680 8.439 0.241 18225 2459 1 7 . 1 1 63 63 HIS N N 63 120.408 120.408 122.226 -1.818 18225 2460 1 7 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.682 -0.033 18225 2461 1 7 . 1 1 63 63 HIS C C 63 173.437 173.437 174.922 -1.485 18225 2462 1 7 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.334 -0.770 18225 2463 1 7 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.389 0.094 18225 2464 1 7 . 1 1 63 63 HIS H H 63 8.541 8.541 8.826 -0.285 18225 2465 1 8 . 1 1 2 2 GLU N N 2 123.432 123.432 119.640 3.792 18225 2466 1 8 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.447 -0.038 18225 2467 1 8 . 1 1 2 2 GLU C C 2 175.510 175.510 175.294 0.216 18225 2468 1 8 . 1 1 2 2 GLU CA C 2 56.216 56.216 55.984 0.232 18225 2469 1 8 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.712 -1.174 18225 2470 1 8 . 1 1 2 2 GLU H H 2 8.824 8.824 8.645 0.179 18225 2471 1 8 . 1 1 3 3 GLU N N 3 121.813 121.813 121.244 0.569 18225 2472 1 8 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.317 0.061 18225 2473 1 8 . 1 1 3 3 GLU C C 3 176.299 176.299 177.107 -0.808 18225 2474 1 8 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.887 -0.595 18225 2475 1 8 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.125 -0.673 18225 2476 1 8 . 1 1 3 3 GLU H H 3 8.546 8.546 8.255 0.291 18225 2477 1 8 . 1 1 4 4 GLY N N 4 109.619 109.619 109.737 -0.118 18225 2478 1 8 . 1 1 4 4 GLY C C 4 174.449 174.449 173.706 0.743 18225 2479 1 8 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.520 1.010 18225 2480 1 8 . 1 1 4 4 GLY H H 4 8.463 8.463 8.569 -0.106 18225 2481 1 8 . 1 1 5 5 GLY N N 5 108.241 108.241 108.640 -0.399 18225 2482 1 8 . 1 1 5 5 GLY C C 5 173.965 173.965 173.898 0.067 18225 2483 1 8 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.226 1.226 18225 2484 1 8 . 1 1 5 5 GLY H H 5 8.220 8.220 7.954 0.266 18225 2485 1 8 . 1 1 6 6 ASP N N 6 119.184 119.184 123.104 -3.920 18225 2486 1 8 . 1 1 6 6 ASP HA H 6 4.598 4.598 3.527 1.071 18225 2487 1 8 . 1 1 6 6 ASP C C 6 175.801 175.801 174.804 0.997 18225 2488 1 8 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.442 -0.530 18225 2489 1 8 . 1 1 6 6 ASP CB C 6 39.335 39.335 39.944 -0.609 18225 2490 1 8 . 1 1 6 6 ASP H H 6 8.329 8.329 8.483 -0.154 18225 2491 1 8 . 1 1 7 7 PHE N N 7 119.589 119.589 110.669 8.920 18225 2492 1 8 . 1 1 7 7 PHE HA H 7 4.480 4.480 3.994 0.486 18225 2493 1 8 . 1 1 7 7 PHE C C 7 175.881 175.881 175.058 0.823 18225 2494 1 8 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.459 1.362 18225 2495 1 8 . 1 1 7 7 PHE CB C 7 39.082 39.082 35.737 3.345 18225 2496 1 8 . 1 1 7 7 PHE H H 7 8.342 8.342 7.514 0.828 18225 2497 1 8 . 1 1 8 8 ASP N N 8 118.430 118.430 119.295 -0.865 18225 2498 1 8 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.367 0.089 18225 2499 1 8 . 1 1 8 8 ASP C C 8 175.642 175.642 176.535 -0.893 18225 2500 1 8 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.449 0.154 18225 2501 1 8 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.808 -3.224 18225 2502 1 8 . 1 1 8 8 ASP H H 8 8.223 8.223 7.966 0.257 18225 2503 1 8 . 1 1 9 9 ASN N N 9 117.097 117.097 117.908 -0.811 18225 2504 1 8 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.285 0.274 18225 2505 1 8 . 1 1 9 9 ASN C C 9 175.264 175.264 175.223 0.041 18225 2506 1 8 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.895 -0.051 18225 2507 1 8 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.373 0.342 18225 2508 1 8 . 1 1 9 9 ASN H H 9 8.069 8.069 8.554 -0.485 18225 2509 1 8 . 1 1 10 10 TYR N N 10 119.007 119.007 116.517 2.490 18225 2510 1 8 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.110 0.239 18225 2511 1 8 . 1 1 10 10 TYR C C 10 175.387 175.387 176.003 -0.616 18225 2512 1 8 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.552 -1.358 18225 2513 1 8 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.006 1.822 18225 2514 1 8 . 1 1 10 10 TYR H H 10 7.901 7.901 7.652 0.249 18225 2515 1 8 . 1 1 11 11 TYR N N 11 117.992 117.992 121.699 -3.707 18225 2516 1 8 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.303 0.140 18225 2517 1 8 . 1 1 11 11 TYR C C 11 175.765 175.765 177.475 -1.710 18225 2518 1 8 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.861 -0.489 18225 2519 1 8 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.689 1.105 18225 2520 1 8 . 1 1 11 11 TYR H H 11 7.885 7.885 8.871 -0.986 18225 2521 1 8 . 1 1 12 12 GLY N N 12 108.601 108.601 115.362 -6.761 18225 2522 1 8 . 1 1 12 12 GLY C C 12 173.934 173.934 174.623 -0.689 18225 2523 1 8 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.558 -0.069 18225 2524 1 8 . 1 1 12 12 GLY H H 12 7.861 7.861 9.102 -1.241 18225 2525 1 8 . 1 1 13 13 ALA N N 13 122.926 122.926 124.242 -1.316 18225 2526 1 8 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.988 0.291 18225 2527 1 8 . 1 1 13 13 ALA C C 13 177.457 177.457 176.796 0.661 18225 2528 1 8 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.644 0.138 18225 2529 1 8 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.622 1.825 18225 2530 1 8 . 1 1 13 13 ALA H H 13 7.985 7.985 8.295 -0.310 18225 2531 1 8 . 1 1 14 14 ASP N N 14 117.380 117.380 115.430 1.950 18225 2532 1 8 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.256 0.384 18225 2533 1 8 . 1 1 14 14 ASP C C 14 175.428 175.428 177.132 -1.704 18225 2534 1 8 . 1 1 14 14 ASP CA C 14 53.672 53.672 55.654 -1.982 18225 2535 1 8 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.526 -1.161 18225 2536 1 8 . 1 1 14 14 ASP H H 14 8.330 8.330 8.701 -0.371 18225 2537 1 8 . 1 1 15 15 ASN N N 15 118.465 118.465 117.124 1.341 18225 2538 1 8 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.498 0.141 18225 2539 1 8 . 1 1 15 15 ASN C C 15 175.467 175.467 175.860 -0.393 18225 2540 1 8 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.393 -1.736 18225 2541 1 8 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.340 -0.372 18225 2542 1 8 . 1 1 15 15 ASN H H 15 8.207 8.207 8.418 -0.211 18225 2543 1 8 . 1 1 16 16 GLN N N 16 119.741 119.741 117.156 2.585 18225 2544 1 8 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.569 -0.254 18225 2545 1 8 . 1 1 16 16 GLN C C 16 176.350 176.350 174.848 1.502 18225 2546 1 8 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.847 0.793 18225 2547 1 8 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.411 0.685 18225 2548 1 8 . 1 1 16 16 GLN H H 16 8.292 8.292 8.013 0.279 18225 2549 1 8 . 1 1 17 17 SER N N 17 115.772 115.772 115.763 0.009 18225 2550 1 8 . 1 1 17 17 SER HA H 17 4.390 4.390 4.471 -0.081 18225 2551 1 8 . 1 1 17 17 SER C C 17 174.799 174.799 173.132 1.667 18225 2552 1 8 . 1 1 17 17 SER CA C 17 59.165 59.165 58.125 1.040 18225 2553 1 8 . 1 1 17 17 SER CB C 17 63.651 63.651 64.646 -0.995 18225 2554 1 8 . 1 1 17 17 SER H H 17 8.224 8.224 7.597 0.627 18225 2555 1 8 . 1 1 18 18 GLU N N 18 121.211 121.211 120.401 0.810 18225 2556 1 8 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.110 0.208 18225 2557 1 8 . 1 1 18 18 GLU C C 18 176.201 176.201 175.170 1.031 18225 2558 1 8 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.790 -1.065 18225 2559 1 8 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.859 0.106 18225 2560 1 8 . 1 1 18 18 GLU H H 18 8.285 8.285 8.750 -0.465 18225 2561 1 8 . 1 1 19 19 CYS N N 19 118.653 118.653 119.209 -0.556 18225 2562 1 8 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.394 0.029 18225 2563 1 8 . 1 1 19 19 CYS C C 19 174.698 174.698 174.273 0.425 18225 2564 1 8 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.183 0.892 18225 2565 1 8 . 1 1 19 19 CYS CB C 19 27.850 27.850 27.237 0.613 18225 2566 1 8 . 1 1 19 19 CYS H H 19 8.202 8.202 8.332 -0.130 18225 2567 1 8 . 1 1 20 20 GLU N N 20 121.851 121.851 121.746 0.105 18225 2568 1 8 . 1 1 20 20 GLU HA H 20 4.265 4.265 3.765 0.500 18225 2569 1 8 . 1 1 20 20 GLU C C 20 176.100 176.100 175.075 1.025 18225 2570 1 8 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.679 -0.858 18225 2571 1 8 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.586 1.390 18225 2572 1 8 . 1 1 20 20 GLU H H 20 8.349 8.349 8.772 -0.423 18225 2573 1 8 . 1 1 21 21 TYR N N 21 118.491 118.491 115.969 2.522 18225 2574 1 8 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.683 -0.265 18225 2575 1 8 . 1 1 21 21 TYR C C 21 175.881 175.881 175.422 0.459 18225 2576 1 8 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.907 -0.176 18225 2577 1 8 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.393 0.233 18225 2578 1 8 . 1 1 21 21 TYR H H 21 7.974 7.974 8.287 -0.313 18225 2579 1 8 . 1 1 22 22 THR N N 22 112.161 112.161 111.926 0.235 18225 2580 1 8 . 1 1 22 22 THR HA H 22 4.105 4.105 4.640 -0.535 18225 2581 1 8 . 1 1 22 22 THR C C 22 174.666 174.666 174.912 -0.246 18225 2582 1 8 . 1 1 22 22 THR CA C 22 63.190 63.190 62.608 0.582 18225 2583 1 8 . 1 1 22 22 THR CB C 22 69.306 69.306 69.444 -0.138 18225 2584 1 8 . 1 1 22 22 THR H H 22 7.747 7.747 7.892 -0.145 18225 2585 1 8 . 1 1 23 23 ASP N N 23 120.529 120.529 126.273 -5.744 18225 2586 1 8 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.650 0.004 18225 2587 1 8 . 1 1 23 23 ASP C C 23 176.119 176.119 175.702 0.417 18225 2588 1 8 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.594 -1.691 18225 2589 1 8 . 1 1 23 23 ASP CB C 23 39.138 39.138 39.576 -0.438 18225 2590 1 8 . 1 1 23 23 ASP H H 23 8.114 8.114 8.968 -0.854 18225 2591 1 8 . 1 1 24 24 TRP N N 24 121.466 121.466 118.192 3.274 18225 2592 1 8 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.664 -0.188 18225 2593 1 8 . 1 1 24 24 TRP C C 24 176.578 176.578 175.630 0.948 18225 2594 1 8 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.714 0.597 18225 2595 1 8 . 1 1 24 24 TRP CB C 24 29.186 29.186 30.439 -1.253 18225 2596 1 8 . 1 1 24 24 TRP H H 24 8.034 8.034 8.187 -0.153 18225 2597 1 8 . 1 1 25 25 LYS N N 25 119.430 119.430 118.711 0.719 18225 2598 1 8 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.266 0.779 18225 2599 1 8 . 1 1 25 25 LYS C C 25 176.798 176.798 175.062 1.736 18225 2600 1 8 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.893 -0.132 18225 2601 1 8 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.815 1.594 18225 2602 1 8 . 1 1 25 25 LYS H H 25 7.880 7.880 7.585 0.295 18225 2603 1 8 . 1 1 26 26 SER N N 26 113.780 113.780 114.250 -0.470 18225 2604 1 8 . 1 1 26 26 SER HA H 26 4.461 4.461 4.273 0.188 18225 2605 1 8 . 1 1 26 26 SER C C 26 174.957 174.957 174.006 0.951 18225 2606 1 8 . 1 1 26 26 SER CA C 26 58.760 58.760 57.787 0.973 18225 2607 1 8 . 1 1 26 26 SER CB C 26 63.889 63.889 64.862 -0.974 18225 2608 1 8 . 1 1 26 26 SER H H 26 7.893 7.893 7.627 0.266 18225 2609 1 8 . 1 1 27 27 SER N N 27 116.730 116.730 121.110 -4.380 18225 2610 1 8 . 1 1 27 27 SER HA H 27 4.328 4.328 4.667 -0.339 18225 2611 1 8 . 1 1 27 27 SER C C 27 175.563 175.563 174.706 0.857 18225 2612 1 8 . 1 1 27 27 SER CA C 27 59.856 59.856 57.185 2.671 18225 2613 1 8 . 1 1 27 27 SER CB C 27 63.819 63.819 61.582 2.237 18225 2614 1 8 . 1 1 27 27 SER H H 27 8.137 8.137 8.663 -0.526 18225 2615 1 8 . 1 1 28 28 GLY N N 28 110.734 110.734 109.700 1.034 18225 2616 1 8 . 1 1 28 28 GLY C C 28 174.314 174.314 173.452 0.862 18225 2617 1 8 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.829 0.296 18225 2618 1 8 . 1 1 28 28 GLY H H 28 8.477 8.477 7.866 0.611 18225 2619 1 8 . 1 1 29 29 ALA N N 29 121.690 121.690 120.375 1.315 18225 2620 1 8 . 1 1 29 29 ALA HA H 29 4.289 4.289 3.881 0.408 18225 2621 1 8 . 1 1 29 29 ALA C C 29 177.330 177.330 176.480 0.850 18225 2622 1 8 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.212 -0.038 18225 2623 1 8 . 1 1 29 29 ALA CB C 29 19.884 19.884 16.874 3.010 18225 2624 1 8 . 1 1 29 29 ALA H H 29 8.189 8.189 8.181 0.008 18225 2625 1 8 . 1 1 30 30 LEU N N 30 117.292 117.292 113.251 4.041 18225 2626 1 8 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.625 -0.546 18225 2627 1 8 . 1 1 30 30 LEU C C 30 177.377 177.377 177.455 -0.078 18225 2628 1 8 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.438 3.796 18225 2629 1 8 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.561 -0.147 18225 2630 1 8 . 1 1 30 30 LEU H H 30 7.873 7.873 7.730 0.143 18225 2631 1 8 . 1 1 31 31 ILE N N 31 116.517 116.517 121.318 -4.801 18225 2632 1 8 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.326 -0.443 18225 2633 1 8 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.369 0.897 18225 2634 1 8 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.574 -0.818 18225 2635 1 8 . 1 1 31 31 ILE H H 31 8.262 8.262 8.141 0.121 18225 2636 1 8 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.360 -0.148 18225 2637 1 8 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.987 0.006 18225 2638 1 8 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.979 0.013 18225 2639 1 8 . 1 1 33 33 ALA N N 33 118.208 118.208 120.235 -2.027 18225 2640 1 8 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.226 -0.160 18225 2641 1 8 . 1 1 33 33 ALA C C 33 178.814 178.814 179.707 -0.893 18225 2642 1 8 . 1 1 33 33 ALA CA C 33 55.689 55.689 54.707 0.982 18225 2643 1 8 . 1 1 33 33 ALA CB C 33 18.379 18.379 18.547 -0.169 18225 2644 1 8 . 1 1 33 33 ALA H H 33 7.613 7.613 7.936 -0.323 18225 2645 1 8 . 1 1 34 34 ILE N N 34 117.730 117.730 118.769 -1.039 18225 2646 1 8 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.695 -0.030 18225 2647 1 8 . 1 1 34 34 ILE C C 34 177.826 177.826 177.189 0.637 18225 2648 1 8 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.689 0.465 18225 2649 1 8 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.936 -0.653 18225 2650 1 8 . 1 1 34 34 ILE H H 34 8.259 8.259 7.383 0.876 18225 2651 1 8 . 1 1 35 35 TYR N N 35 118.693 118.693 117.756 0.937 18225 2652 1 8 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.308 -0.214 18225 2653 1 8 . 1 1 35 35 TYR C C 35 177.885 177.885 175.998 1.887 18225 2654 1 8 . 1 1 35 35 TYR CA C 35 61.638 61.638 59.862 1.776 18225 2655 1 8 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.413 -1.489 18225 2656 1 8 . 1 1 35 35 TYR H H 35 8.347 8.347 7.951 0.396 18225 2657 1 8 . 1 1 36 36 MET N N 36 117.356 117.356 119.307 -1.951 18225 2658 1 8 . 1 1 36 36 MET HA H 36 4.220 4.220 4.437 -0.217 18225 2659 1 8 . 1 1 36 36 MET C C 36 177.903 177.903 176.992 0.911 18225 2660 1 8 . 1 1 36 36 MET CA C 36 58.653 58.653 58.242 0.411 18225 2661 1 8 . 1 1 36 36 MET CB C 36 32.172 32.172 33.760 -1.588 18225 2662 1 8 . 1 1 36 36 MET H H 36 8.252 8.252 7.954 0.298 18225 2663 1 8 . 1 1 37 37 LEU N N 37 119.978 119.978 118.199 1.779 18225 2664 1 8 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.191 -0.163 18225 2665 1 8 . 1 1 37 37 LEU C C 37 178.393 178.393 176.691 1.702 18225 2666 1 8 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.050 2.592 18225 2667 1 8 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.917 1.072 18225 2668 1 8 . 1 1 37 37 LEU H H 37 8.301 8.301 8.116 0.185 18225 2669 1 8 . 1 1 38 38 VAL N N 38 117.991 117.991 113.927 4.064 18225 2670 1 8 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.238 -0.736 18225 2671 1 8 . 1 1 38 38 VAL C C 38 177.962 177.962 175.593 2.369 18225 2672 1 8 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.657 4.498 18225 2673 1 8 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.829 -2.414 18225 2674 1 8 . 1 1 38 38 VAL H H 38 8.414 8.414 7.253 1.161 18225 2675 1 8 . 1 1 39 39 PHE N N 39 119.830 119.830 121.725 -1.895 18225 2676 1 8 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.007 0.171 18225 2677 1 8 . 1 1 39 39 PHE C C 39 178.233 178.233 175.170 3.063 18225 2678 1 8 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.036 1.467 18225 2679 1 8 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.364 -0.306 18225 2680 1 8 . 1 1 39 39 PHE H H 39 8.337 8.337 7.405 0.932 18225 2681 1 8 . 1 1 40 40 LEU N N 40 119.985 119.985 110.750 9.235 18225 2682 1 8 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.281 -0.315 18225 2683 1 8 . 1 1 40 40 LEU C C 40 179.279 179.279 175.460 3.819 18225 2684 1 8 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.126 3.746 18225 2685 1 8 . 1 1 40 40 LEU CB C 40 42.387 42.387 43.436 -1.049 18225 2686 1 8 . 1 1 40 40 LEU H H 40 8.603 8.603 7.024 1.579 18225 2687 1 8 . 1 1 41 41 LEU N N 41 118.649 118.649 120.785 -2.136 18225 2688 1 8 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.483 -0.439 18225 2689 1 8 . 1 1 41 41 LEU C C 41 178.670 178.670 176.865 1.805 18225 2690 1 8 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.776 2.908 18225 2691 1 8 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.602 -0.671 18225 2692 1 8 . 1 1 41 41 LEU H H 41 8.486 8.486 7.602 0.884 18225 2693 1 8 . 1 1 42 42 GLY N N 42 105.262 105.262 109.366 -4.104 18225 2694 1 8 . 1 1 42 42 GLY C C 42 174.814 174.814 174.511 0.303 18225 2695 1 8 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.009 0.396 18225 2696 1 8 . 1 1 42 42 GLY H H 42 8.289 8.289 8.411 -0.122 18225 2697 1 8 . 1 1 43 43 THR N N 43 111.955 111.955 115.529 -3.574 18225 2698 1 8 . 1 1 43 43 THR HA H 43 4.243 4.243 4.569 -0.326 18225 2699 1 8 . 1 1 43 43 THR C C 43 175.888 175.888 175.899 -0.011 18225 2700 1 8 . 1 1 43 43 THR CA C 43 63.505 63.505 63.464 0.042 18225 2701 1 8 . 1 1 43 43 THR CB C 43 69.598 69.598 70.008 -0.410 18225 2702 1 8 . 1 1 43 43 THR H H 43 7.891 7.891 7.489 0.402 18225 2703 1 8 . 1 1 44 44 THR N N 44 111.997 111.997 117.572 -5.575 18225 2704 1 8 . 1 1 44 44 THR HA H 44 4.320 4.320 3.762 0.558 18225 2705 1 8 . 1 1 44 44 THR C C 44 175.543 175.543 176.134 -0.591 18225 2706 1 8 . 1 1 44 44 THR CA C 44 63.009 63.009 66.675 -3.666 18225 2707 1 8 . 1 1 44 44 THR CB C 44 69.881 69.881 68.646 1.235 18225 2708 1 8 . 1 1 44 44 THR H H 44 7.740 7.740 8.162 -0.422 18225 2709 1 8 . 1 1 45 45 GLY N N 45 109.564 109.564 109.375 0.189 18225 2710 1 8 . 1 1 45 45 GLY C C 45 174.928 174.928 175.177 -0.249 18225 2711 1 8 . 1 1 45 45 GLY CA C 45 46.420 46.420 47.083 -0.663 18225 2712 1 8 . 1 1 45 45 GLY H H 45 8.243 8.243 8.293 -0.050 18225 2713 1 8 . 1 1 46 46 ASN N N 46 117.851 117.851 119.136 -1.285 18225 2714 1 8 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.749 -0.032 18225 2715 1 8 . 1 1 46 46 ASN C C 46 176.127 176.127 175.117 1.010 18225 2716 1 8 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.919 1.695 18225 2717 1 8 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.613 -0.302 18225 2718 1 8 . 1 1 46 46 ASN H H 46 8.170 8.170 8.183 -0.013 18225 2719 1 8 . 1 1 47 47 GLY N N 47 108.287 108.287 108.746 -0.459 18225 2720 1 8 . 1 1 47 47 GLY C C 47 174.612 174.612 174.086 0.526 18225 2721 1 8 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.269 1.972 18225 2722 1 8 . 1 1 47 47 GLY H H 47 8.663 8.663 8.058 0.605 18225 2723 1 8 . 1 1 48 48 LEU N N 48 120.479 120.479 119.407 1.072 18225 2724 1 8 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.854 -0.586 18225 2725 1 8 . 1 1 48 48 LEU C C 48 179.407 179.407 177.415 1.992 18225 2726 1 8 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.397 2.195 18225 2727 1 8 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.455 -0.717 18225 2728 1 8 . 1 1 48 48 LEU H H 48 8.149 8.149 7.245 0.903 18225 2729 1 8 . 1 1 49 49 VAL N N 49 119.968 119.968 118.748 1.220 18225 2730 1 8 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.106 -0.290 18225 2731 1 8 . 1 1 49 49 VAL C C 49 177.444 177.444 176.838 0.606 18225 2732 1 8 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.469 1.474 18225 2733 1 8 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.555 -0.877 18225 2734 1 8 . 1 1 49 49 VAL H H 49 7.969 7.969 7.841 0.128 18225 2735 1 8 . 1 1 50 50 LEU N N 50 119.329 119.329 113.354 5.975 18225 2736 1 8 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.757 -0.745 18225 2737 1 8 . 1 1 50 50 LEU C C 50 178.085 178.085 176.648 1.437 18225 2738 1 8 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.169 2.748 18225 2739 1 8 . 1 1 50 50 LEU CB C 50 41.706 41.706 43.154 -1.448 18225 2740 1 8 . 1 1 50 50 LEU H H 50 7.814 7.814 8.046 -0.232 18225 2741 1 8 . 1 1 51 51 TRP N N 51 118.186 118.186 123.737 -5.551 18225 2742 1 8 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.594 -0.105 18225 2743 1 8 . 1 1 51 51 TRP C C 51 177.377 177.377 177.143 0.234 18225 2744 1 8 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.142 -0.084 18225 2745 1 8 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.010 -0.229 18225 2746 1 8 . 1 1 51 51 TRP H H 51 8.125 8.125 7.752 0.373 18225 2747 1 8 . 1 1 52 52 THR N N 52 113.180 113.180 113.947 -0.767 18225 2748 1 8 . 1 1 52 52 THR HA H 52 3.787 3.787 3.172 0.615 18225 2749 1 8 . 1 1 52 52 THR C C 52 176.309 176.309 176.645 -0.336 18225 2750 1 8 . 1 1 52 52 THR CA C 52 66.473 66.473 64.439 2.034 18225 2751 1 8 . 1 1 52 52 THR CB C 52 68.865 68.865 67.648 1.217 18225 2752 1 8 . 1 1 52 52 THR H H 52 8.079 8.079 7.971 0.108 18225 2753 1 8 . 1 1 53 53 VAL N N 53 119.953 119.953 121.196 -1.243 18225 2754 1 8 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.650 -0.002 18225 2755 1 8 . 1 1 53 53 VAL C C 53 177.252 177.252 177.036 0.216 18225 2756 1 8 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.547 0.539 18225 2757 1 8 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.396 0.308 18225 2758 1 8 . 1 1 53 53 VAL H H 53 7.913 7.913 7.981 -0.068 18225 2759 1 8 . 1 1 54 54 PHE N N 54 118.204 118.204 119.781 -1.577 18225 2760 1 8 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.183 0.064 18225 2761 1 8 . 1 1 54 54 PHE C C 54 177.144 177.144 176.859 0.285 18225 2762 1 8 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.593 -1.139 18225 2763 1 8 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.074 0.042 18225 2764 1 8 . 1 1 54 54 PHE H H 54 8.030 8.030 7.488 0.542 18225 2765 1 8 . 1 1 55 55 ARG N N 55 117.725 117.725 115.737 1.988 18225 2766 1 8 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.133 -0.249 18225 2767 1 8 . 1 1 55 55 ARG C C 55 177.443 177.443 177.255 0.188 18225 2768 1 8 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.133 0.421 18225 2769 1 8 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.275 0.532 18225 2770 1 8 . 1 1 55 55 ARG H H 55 8.034 8.034 7.643 0.391 18225 2771 1 8 . 1 1 56 56 LYS N N 56 118.622 118.622 118.566 0.056 18225 2772 1 8 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.253 -0.089 18225 2773 1 8 . 1 1 56 56 LYS C C 56 177.418 177.418 177.766 -0.348 18225 2774 1 8 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.998 0.519 18225 2775 1 8 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.870 -0.062 18225 2776 1 8 . 1 1 56 56 LYS H H 56 7.804 7.804 7.623 0.181 18225 2777 1 8 . 1 1 57 57 LYS N N 57 118.937 118.937 118.858 0.079 18225 2778 1 8 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.826 0.432 18225 2779 1 8 . 1 1 57 57 LYS C C 57 177.029 177.029 178.324 -1.295 18225 2780 1 8 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.947 -2.337 18225 2781 1 8 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.620 0.258 18225 2782 1 8 . 1 1 57 57 LYS H H 57 7.974 7.974 7.721 0.253 18225 2783 1 8 . 1 1 58 58 GLY N N 58 107.785 107.785 106.915 0.870 18225 2784 1 8 . 1 1 58 58 GLY C C 58 173.543 173.543 173.516 0.027 18225 2785 1 8 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.209 0.264 18225 2786 1 8 . 1 1 58 58 GLY H H 58 8.136 8.136 7.613 0.523 18225 2787 1 8 . 1 1 59 59 HIS N N 59 117.024 117.024 116.864 0.160 18225 2788 1 8 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.856 -0.234 18225 2789 1 8 . 1 1 59 59 HIS C C 59 174.183 174.183 173.057 1.126 18225 2790 1 8 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.993 0.288 18225 2791 1 8 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.612 -1.531 18225 2792 1 8 . 1 1 59 59 HIS H H 59 8.163 8.163 7.896 0.267 18225 2793 1 8 . 1 1 60 60 HIS N N 60 118.841 118.841 120.359 -1.518 18225 2794 1 8 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.547 0.083 18225 2795 1 8 . 1 1 60 60 HIS C C 60 174.157 174.157 174.880 -0.723 18225 2796 1 8 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.072 -0.732 18225 2797 1 8 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.112 -2.008 18225 2798 1 8 . 1 1 60 60 HIS H H 60 8.507 8.507 8.905 -0.398 18225 2799 1 8 . 1 1 61 61 HIS N N 61 119.636 119.636 120.039 -0.403 18225 2800 1 8 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.645 0.009 18225 2801 1 8 . 1 1 61 61 HIS C C 61 174.095 174.095 174.752 -0.657 18225 2802 1 8 . 1 1 61 61 HIS CA C 61 55.329 55.329 58.233 -2.904 18225 2803 1 8 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.347 -1.113 18225 2804 1 8 . 1 1 61 61 HIS H H 61 8.613 8.613 8.724 -0.111 18225 2805 1 8 . 1 1 62 62 HIS N N 62 120.286 120.286 119.822 0.464 18225 2806 1 8 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.895 -0.235 18225 2807 1 8 . 1 1 62 62 HIS C C 62 173.928 173.928 173.915 0.013 18225 2808 1 8 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.077 0.279 18225 2809 1 8 . 1 1 62 62 HIS CB C 62 29.329 29.329 31.946 -2.617 18225 2810 1 8 . 1 1 62 62 HIS H H 62 8.680 8.680 9.636 -0.956 18225 2811 1 8 . 1 1 63 63 HIS N N 63 120.408 120.408 119.764 0.644 18225 2812 1 8 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.433 0.216 18225 2813 1 8 . 1 1 63 63 HIS C C 63 173.437 173.437 174.463 -1.026 18225 2814 1 8 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.057 -0.493 18225 2815 1 8 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.748 -0.265 18225 2816 1 8 . 1 1 63 63 HIS H H 63 8.541 8.541 8.780 -0.239 18225 2817 1 9 . 1 1 2 2 GLU N N 2 123.432 123.432 122.897 0.535 18225 2818 1 9 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.619 -0.210 18225 2819 1 9 . 1 1 2 2 GLU C C 2 175.510 175.510 175.851 -0.341 18225 2820 1 9 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.105 0.111 18225 2821 1 9 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.823 0.715 18225 2822 1 9 . 1 1 2 2 GLU H H 2 8.824 8.824 8.584 0.240 18225 2823 1 9 . 1 1 3 3 GLU N N 3 121.813 121.813 119.831 1.982 18225 2824 1 9 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.044 0.334 18225 2825 1 9 . 1 1 3 3 GLU C C 3 176.299 176.299 177.840 -1.541 18225 2826 1 9 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.304 -1.012 18225 2827 1 9 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.930 -0.478 18225 2828 1 9 . 1 1 3 3 GLU H H 3 8.546 8.546 8.022 0.524 18225 2829 1 9 . 1 1 4 4 GLY N N 4 109.619 109.619 109.567 0.052 18225 2830 1 9 . 1 1 4 4 GLY C C 4 174.449 174.449 174.735 -0.286 18225 2831 1 9 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.786 0.744 18225 2832 1 9 . 1 1 4 4 GLY H H 4 8.463 8.463 8.723 -0.260 18225 2833 1 9 . 1 1 5 5 GLY N N 5 108.241 108.241 108.036 0.205 18225 2834 1 9 . 1 1 5 5 GLY C C 5 173.965 173.965 174.124 -0.159 18225 2835 1 9 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.384 1.068 18225 2836 1 9 . 1 1 5 5 GLY H H 5 8.220 8.220 8.176 0.044 18225 2837 1 9 . 1 1 6 6 ASP N N 6 119.184 119.184 118.892 0.292 18225 2838 1 9 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.155 0.443 18225 2839 1 9 . 1 1 6 6 ASP C C 6 175.801 175.801 174.576 1.225 18225 2840 1 9 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.447 -1.535 18225 2841 1 9 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.602 -1.267 18225 2842 1 9 . 1 1 6 6 ASP H H 6 8.329 8.329 8.180 0.149 18225 2843 1 9 . 1 1 7 7 PHE N N 7 119.589 119.589 117.011 2.578 18225 2844 1 9 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.703 -0.223 18225 2845 1 9 . 1 1 7 7 PHE C C 7 175.881 175.881 174.260 1.621 18225 2846 1 9 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.505 1.316 18225 2847 1 9 . 1 1 7 7 PHE CB C 7 39.082 39.082 41.321 -2.239 18225 2848 1 9 . 1 1 7 7 PHE H H 7 8.342 8.342 7.567 0.775 18225 2849 1 9 . 1 1 8 8 ASP N N 8 118.430 118.430 121.858 -3.428 18225 2850 1 9 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.708 -0.253 18225 2851 1 9 . 1 1 8 8 ASP C C 8 175.642 175.642 175.964 -0.322 18225 2852 1 9 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.509 -0.906 18225 2853 1 9 . 1 1 8 8 ASP CB C 8 38.584 38.584 42.564 -3.980 18225 2854 1 9 . 1 1 8 8 ASP H H 8 8.223 8.223 8.472 -0.249 18225 2855 1 9 . 1 1 9 9 ASN N N 9 117.097 117.097 116.578 0.519 18225 2856 1 9 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.129 0.430 18225 2857 1 9 . 1 1 9 9 ASN C C 9 175.264 175.264 175.792 -0.528 18225 2858 1 9 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.444 1.401 18225 2859 1 9 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.863 -0.148 18225 2860 1 9 . 1 1 9 9 ASN H H 9 8.069 8.069 8.103 -0.034 18225 2861 1 9 . 1 1 10 10 TYR N N 10 119.007 119.007 115.258 3.749 18225 2862 1 9 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.279 0.070 18225 2863 1 9 . 1 1 10 10 TYR C C 10 175.387 175.387 175.770 -0.383 18225 2864 1 9 . 1 1 10 10 TYR CA C 10 59.194 59.194 59.161 0.033 18225 2865 1 9 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.956 1.872 18225 2866 1 9 . 1 1 10 10 TYR H H 10 7.901 7.901 7.839 0.062 18225 2867 1 9 . 1 1 11 11 TYR N N 11 117.992 117.992 121.672 -3.680 18225 2868 1 9 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.299 0.144 18225 2869 1 9 . 1 1 11 11 TYR C C 11 175.765 175.765 177.264 -1.499 18225 2870 1 9 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.750 -0.378 18225 2871 1 9 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.953 0.841 18225 2872 1 9 . 1 1 11 11 TYR H H 11 7.885 7.885 8.763 -0.878 18225 2873 1 9 . 1 1 12 12 GLY N N 12 108.601 108.601 113.695 -5.094 18225 2874 1 9 . 1 1 12 12 GLY C C 12 173.934 173.934 174.799 -0.865 18225 2875 1 9 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.719 -0.230 18225 2876 1 9 . 1 1 12 12 GLY H H 12 7.861 7.861 8.819 -0.958 18225 2877 1 9 . 1 1 13 13 ALA N N 13 122.926 122.926 124.420 -1.494 18225 2878 1 9 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.827 0.452 18225 2879 1 9 . 1 1 13 13 ALA C C 13 177.457 177.457 178.857 -1.400 18225 2880 1 9 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.784 -2.002 18225 2881 1 9 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.129 2.318 18225 2882 1 9 . 1 1 13 13 ALA H H 13 7.985 7.985 8.508 -0.523 18225 2883 1 9 . 1 1 14 14 ASP N N 14 117.380 117.380 121.649 -4.269 18225 2884 1 9 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.328 0.312 18225 2885 1 9 . 1 1 14 14 ASP C C 14 175.428 175.428 177.947 -2.519 18225 2886 1 9 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.963 -3.291 18225 2887 1 9 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.536 -1.171 18225 2888 1 9 . 1 1 14 14 ASP H H 14 8.330 8.330 8.516 -0.186 18225 2889 1 9 . 1 1 15 15 ASN N N 15 118.465 118.465 117.033 1.432 18225 2890 1 9 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.413 0.226 18225 2891 1 9 . 1 1 15 15 ASN C C 15 175.467 175.467 176.062 -0.595 18225 2892 1 9 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.198 -1.541 18225 2893 1 9 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.693 0.275 18225 2894 1 9 . 1 1 15 15 ASN H H 15 8.207 8.207 7.782 0.425 18225 2895 1 9 . 1 1 16 16 GLN N N 16 119.741 119.741 117.617 2.124 18225 2896 1 9 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.516 -0.201 18225 2897 1 9 . 1 1 16 16 GLN C C 16 176.350 176.350 175.013 1.337 18225 2898 1 9 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.333 1.307 18225 2899 1 9 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.957 0.139 18225 2900 1 9 . 1 1 16 16 GLN H H 16 8.292 8.292 7.788 0.504 18225 2901 1 9 . 1 1 17 17 SER N N 17 115.772 115.772 115.518 0.254 18225 2902 1 9 . 1 1 17 17 SER HA H 17 4.390 4.390 4.715 -0.325 18225 2903 1 9 . 1 1 17 17 SER C C 17 174.799 174.799 173.029 1.770 18225 2904 1 9 . 1 1 17 17 SER CA C 17 59.165 59.165 56.990 2.175 18225 2905 1 9 . 1 1 17 17 SER CB C 17 63.651 63.651 65.227 -1.576 18225 2906 1 9 . 1 1 17 17 SER H H 17 8.224 8.224 8.061 0.163 18225 2907 1 9 . 1 1 18 18 GLU N N 18 121.211 121.211 122.619 -1.408 18225 2908 1 9 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.307 0.011 18225 2909 1 9 . 1 1 18 18 GLU C C 18 176.201 176.201 175.740 0.461 18225 2910 1 9 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.232 -0.507 18225 2911 1 9 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.501 0.464 18225 2912 1 9 . 1 1 18 18 GLU H H 18 8.285 8.285 8.819 -0.534 18225 2913 1 9 . 1 1 19 19 CYS N N 19 118.653 118.653 123.028 -4.375 18225 2914 1 9 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.515 -0.092 18225 2915 1 9 . 1 1 19 19 CYS C C 19 174.698 174.698 174.385 0.313 18225 2916 1 9 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.756 0.319 18225 2917 1 9 . 1 1 19 19 CYS CB C 19 27.850 27.850 27.620 0.230 18225 2918 1 9 . 1 1 19 19 CYS H H 19 8.202 8.202 8.534 -0.332 18225 2919 1 9 . 1 1 20 20 GLU N N 20 121.851 121.851 118.570 3.281 18225 2920 1 9 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.304 -0.039 18225 2921 1 9 . 1 1 20 20 GLU C C 20 176.100 176.100 176.314 -0.214 18225 2922 1 9 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.977 -0.155 18225 2923 1 9 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.884 -0.907 18225 2924 1 9 . 1 1 20 20 GLU H H 20 8.349 8.349 8.175 0.174 18225 2925 1 9 . 1 1 21 21 TYR N N 21 118.491 118.491 118.844 -0.353 18225 2926 1 9 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.997 -0.579 18225 2927 1 9 . 1 1 21 21 TYR C C 21 175.881 175.881 176.064 -0.183 18225 2928 1 9 . 1 1 21 21 TYR CA C 21 58.731 58.731 59.603 -0.872 18225 2929 1 9 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.365 0.260 18225 2930 1 9 . 1 1 21 21 TYR H H 21 7.974 7.974 8.192 -0.218 18225 2931 1 9 . 1 1 22 22 THR N N 22 112.161 112.161 107.083 5.078 18225 2932 1 9 . 1 1 22 22 THR HA H 22 4.105 4.105 3.969 0.136 18225 2933 1 9 . 1 1 22 22 THR C C 22 174.666 174.666 175.196 -0.530 18225 2934 1 9 . 1 1 22 22 THR CA C 22 63.190 63.190 61.582 1.608 18225 2935 1 9 . 1 1 22 22 THR CB C 22 69.306 69.306 69.827 -0.521 18225 2936 1 9 . 1 1 22 22 THR H H 22 7.747 7.747 7.519 0.228 18225 2937 1 9 . 1 1 23 23 ASP N N 23 120.529 120.529 122.135 -1.606 18225 2938 1 9 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.356 0.298 18225 2939 1 9 . 1 1 23 23 ASP C C 23 176.119 176.119 176.577 -0.458 18225 2940 1 9 . 1 1 23 23 ASP CA C 23 53.903 53.903 57.340 -3.437 18225 2941 1 9 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.669 -1.531 18225 2942 1 9 . 1 1 23 23 ASP H H 23 8.114 8.114 8.735 -0.621 18225 2943 1 9 . 1 1 24 24 TRP N N 24 121.466 121.466 115.966 5.500 18225 2944 1 9 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.683 -0.207 18225 2945 1 9 . 1 1 24 24 TRP C C 24 176.578 176.578 176.158 0.420 18225 2946 1 9 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.841 1.470 18225 2947 1 9 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.318 -0.132 18225 2948 1 9 . 1 1 24 24 TRP H H 24 8.034 8.034 7.558 0.476 18225 2949 1 9 . 1 1 25 25 LYS N N 25 119.430 119.430 117.694 1.736 18225 2950 1 9 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.019 1.026 18225 2951 1 9 . 1 1 25 25 LYS C C 25 176.798 176.798 176.022 0.776 18225 2952 1 9 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.961 0.800 18225 2953 1 9 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.122 0.287 18225 2954 1 9 . 1 1 25 25 LYS H H 25 7.880 7.880 6.308 1.572 18225 2955 1 9 . 1 1 26 26 SER N N 26 113.780 113.780 115.692 -1.912 18225 2956 1 9 . 1 1 26 26 SER HA H 26 4.461 4.461 4.581 -0.120 18225 2957 1 9 . 1 1 26 26 SER C C 26 174.957 174.957 175.151 -0.194 18225 2958 1 9 . 1 1 26 26 SER CA C 26 58.760 58.760 58.410 0.350 18225 2959 1 9 . 1 1 26 26 SER CB C 26 63.889 63.889 62.730 1.159 18225 2960 1 9 . 1 1 26 26 SER H H 26 7.893 7.893 8.151 -0.258 18225 2961 1 9 . 1 1 27 27 SER N N 27 116.730 116.730 121.811 -5.081 18225 2962 1 9 . 1 1 27 27 SER HA H 27 4.328 4.328 4.303 0.025 18225 2963 1 9 . 1 1 27 27 SER C C 27 175.563 175.563 174.567 0.996 18225 2964 1 9 . 1 1 27 27 SER CA C 27 59.856 59.856 59.102 0.754 18225 2965 1 9 . 1 1 27 27 SER CB C 27 63.819 63.819 61.932 1.887 18225 2966 1 9 . 1 1 27 27 SER H H 27 8.137 8.137 8.944 -0.807 18225 2967 1 9 . 1 1 28 28 GLY N N 28 110.734 110.734 108.843 1.891 18225 2968 1 9 . 1 1 28 28 GLY C C 28 174.314 174.314 173.536 0.778 18225 2969 1 9 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.339 0.786 18225 2970 1 9 . 1 1 28 28 GLY H H 28 8.477 8.477 8.139 0.338 18225 2971 1 9 . 1 1 29 29 ALA N N 29 121.690 121.690 119.699 1.991 18225 2972 1 9 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.012 0.277 18225 2973 1 9 . 1 1 29 29 ALA C C 29 177.330 177.330 176.666 0.664 18225 2974 1 9 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.553 -0.379 18225 2975 1 9 . 1 1 29 29 ALA CB C 29 19.884 19.884 16.993 2.891 18225 2976 1 9 . 1 1 29 29 ALA H H 29 8.189 8.189 7.948 0.241 18225 2977 1 9 . 1 1 30 30 LEU N N 30 117.292 117.292 118.095 -0.803 18225 2978 1 9 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.407 -0.328 18225 2979 1 9 . 1 1 30 30 LEU C C 30 177.377 177.377 177.882 -0.505 18225 2980 1 9 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.631 3.603 18225 2981 1 9 . 1 1 30 30 LEU CB C 30 42.414 42.414 41.395 1.019 18225 2982 1 9 . 1 1 30 30 LEU H H 30 7.873 7.873 8.131 -0.258 18225 2983 1 9 . 1 1 31 31 ILE N N 31 116.517 116.517 119.989 -3.472 18225 2984 1 9 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.494 -0.611 18225 2985 1 9 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.523 2.743 18225 2986 1 9 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.614 0.142 18225 2987 1 9 . 1 1 31 31 ILE H H 31 8.262 8.262 8.068 0.194 18225 2988 1 9 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.404 -0.192 18225 2989 1 9 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.340 0.653 18225 2990 1 9 . 1 1 32 32 PRO CB C 32 30.992 30.992 31.053 -0.061 18225 2991 1 9 . 1 1 33 33 ALA N N 33 118.208 118.208 118.830 -0.622 18225 2992 1 9 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.429 -0.363 18225 2993 1 9 . 1 1 33 33 ALA C C 33 178.814 178.814 179.339 -0.525 18225 2994 1 9 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.206 2.483 18225 2995 1 9 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.401 -1.022 18225 2996 1 9 . 1 1 33 33 ALA H H 33 7.613 7.613 7.762 -0.149 18225 2997 1 9 . 1 1 34 34 ILE N N 34 117.730 117.730 120.771 -3.041 18225 2998 1 9 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.577 0.088 18225 2999 1 9 . 1 1 34 34 ILE C C 34 177.826 177.826 177.732 0.094 18225 3000 1 9 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.577 -0.423 18225 3001 1 9 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.989 -0.706 18225 3002 1 9 . 1 1 34 34 ILE H H 34 8.259 8.259 7.615 0.644 18225 3003 1 9 . 1 1 35 35 TYR N N 35 118.693 118.693 119.193 -0.500 18225 3004 1 9 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.145 -0.052 18225 3005 1 9 . 1 1 35 35 TYR C C 35 177.885 177.885 177.812 0.073 18225 3006 1 9 . 1 1 35 35 TYR CA C 35 61.638 61.638 62.178 -0.540 18225 3007 1 9 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.504 -0.580 18225 3008 1 9 . 1 1 35 35 TYR H H 35 8.347 8.347 8.034 0.313 18225 3009 1 9 . 1 1 36 36 MET N N 36 117.356 117.356 119.153 -1.797 18225 3010 1 9 . 1 1 36 36 MET HA H 36 4.220 4.220 4.057 0.163 18225 3011 1 9 . 1 1 36 36 MET C C 36 177.903 177.903 177.956 -0.053 18225 3012 1 9 . 1 1 36 36 MET CA C 36 58.653 58.653 59.049 -0.396 18225 3013 1 9 . 1 1 36 36 MET CB C 36 32.172 32.172 32.468 -0.296 18225 3014 1 9 . 1 1 36 36 MET H H 36 8.252 8.252 7.469 0.783 18225 3015 1 9 . 1 1 37 37 LEU N N 37 119.978 119.978 119.560 0.418 18225 3016 1 9 . 1 1 37 37 LEU HA H 37 4.028 4.028 3.963 0.065 18225 3017 1 9 . 1 1 37 37 LEU C C 37 178.393 178.393 179.482 -1.089 18225 3018 1 9 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.651 0.991 18225 3019 1 9 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.436 0.553 18225 3020 1 9 . 1 1 37 37 LEU H H 37 8.301 8.301 8.624 -0.323 18225 3021 1 9 . 1 1 38 38 VAL N N 38 117.991 117.991 118.139 -0.148 18225 3022 1 9 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.562 -0.060 18225 3023 1 9 . 1 1 38 38 VAL C C 38 177.962 177.962 177.485 0.477 18225 3024 1 9 . 1 1 38 38 VAL CA C 38 67.155 67.155 66.263 0.893 18225 3025 1 9 . 1 1 38 38 VAL CB C 38 31.415 31.415 30.956 0.459 18225 3026 1 9 . 1 1 38 38 VAL H H 38 8.414 8.414 8.161 0.253 18225 3027 1 9 . 1 1 39 39 PHE N N 39 119.830 119.830 118.628 1.202 18225 3028 1 9 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.023 0.155 18225 3029 1 9 . 1 1 39 39 PHE C C 39 178.233 178.233 176.554 1.679 18225 3030 1 9 . 1 1 39 39 PHE CA C 39 61.503 61.503 62.001 -0.498 18225 3031 1 9 . 1 1 39 39 PHE CB C 39 39.058 39.058 38.996 0.062 18225 3032 1 9 . 1 1 39 39 PHE H H 39 8.337 8.337 7.158 1.179 18225 3033 1 9 . 1 1 40 40 LEU N N 40 119.985 119.985 115.424 4.561 18225 3034 1 9 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.203 -0.237 18225 3035 1 9 . 1 1 40 40 LEU C C 40 179.279 179.279 176.276 3.003 18225 3036 1 9 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.387 1.485 18225 3037 1 9 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.880 0.507 18225 3038 1 9 . 1 1 40 40 LEU H H 40 8.603 8.603 7.912 0.691 18225 3039 1 9 . 1 1 41 41 LEU N N 41 118.649 118.649 115.629 3.020 18225 3040 1 9 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.464 -0.420 18225 3041 1 9 . 1 1 41 41 LEU C C 41 178.670 178.670 176.709 1.961 18225 3042 1 9 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.364 3.319 18225 3043 1 9 . 1 1 41 41 LEU CB C 41 41.931 41.931 43.008 -1.077 18225 3044 1 9 . 1 1 41 41 LEU H H 41 8.486 8.486 6.967 1.519 18225 3045 1 9 . 1 1 42 42 GLY N N 42 105.262 105.262 105.545 -0.283 18225 3046 1 9 . 1 1 42 42 GLY C C 42 174.814 174.814 173.821 0.993 18225 3047 1 9 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.884 0.521 18225 3048 1 9 . 1 1 42 42 GLY H H 42 8.289 8.289 7.658 0.631 18225 3049 1 9 . 1 1 43 43 THR N N 43 111.955 111.955 115.583 -3.628 18225 3050 1 9 . 1 1 43 43 THR HA H 43 4.243 4.243 4.265 -0.022 18225 3051 1 9 . 1 1 43 43 THR C C 43 175.888 175.888 175.433 0.455 18225 3052 1 9 . 1 1 43 43 THR CA C 43 63.505 63.505 62.942 0.563 18225 3053 1 9 . 1 1 43 43 THR CB C 43 69.598 69.598 69.015 0.583 18225 3054 1 9 . 1 1 43 43 THR H H 43 7.891 7.891 7.421 0.470 18225 3055 1 9 . 1 1 44 44 THR N N 44 111.997 111.997 118.721 -6.724 18225 3056 1 9 . 1 1 44 44 THR HA H 44 4.320 4.320 3.992 0.328 18225 3057 1 9 . 1 1 44 44 THR C C 44 175.543 175.543 176.590 -1.047 18225 3058 1 9 . 1 1 44 44 THR CA C 44 63.009 63.009 66.746 -3.737 18225 3059 1 9 . 1 1 44 44 THR CB C 44 69.881 69.881 68.619 1.262 18225 3060 1 9 . 1 1 44 44 THR H H 44 7.740 7.740 7.560 0.180 18225 3061 1 9 . 1 1 45 45 GLY N N 45 109.564 109.564 109.228 0.336 18225 3062 1 9 . 1 1 45 45 GLY C C 45 174.928 174.928 175.346 -0.418 18225 3063 1 9 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.827 -0.407 18225 3064 1 9 . 1 1 45 45 GLY H H 45 8.243 8.243 8.541 -0.298 18225 3065 1 9 . 1 1 46 46 ASN N N 46 117.851 117.851 117.850 0.001 18225 3066 1 9 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.787 -0.070 18225 3067 1 9 . 1 1 46 46 ASN C C 46 176.127 176.127 175.324 0.803 18225 3068 1 9 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.856 1.758 18225 3069 1 9 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.915 -0.604 18225 3070 1 9 . 1 1 46 46 ASN H H 46 8.170 8.170 7.903 0.267 18225 3071 1 9 . 1 1 47 47 GLY N N 47 108.287 108.287 108.904 -0.617 18225 3072 1 9 . 1 1 47 47 GLY C C 47 174.612 174.612 174.270 0.342 18225 3073 1 9 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.887 1.354 18225 3074 1 9 . 1 1 47 47 GLY H H 47 8.663 8.663 8.761 -0.098 18225 3075 1 9 . 1 1 48 48 LEU N N 48 120.479 120.479 118.663 1.816 18225 3076 1 9 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.768 -0.500 18225 3077 1 9 . 1 1 48 48 LEU C C 48 179.407 179.407 177.144 2.263 18225 3078 1 9 . 1 1 48 48 LEU CA C 48 57.592 57.592 54.996 2.596 18225 3079 1 9 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.972 -0.234 18225 3080 1 9 . 1 1 48 48 LEU H H 48 8.149 8.149 7.841 0.308 18225 3081 1 9 . 1 1 49 49 VAL N N 49 119.968 119.968 118.769 1.199 18225 3082 1 9 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.966 -0.150 18225 3083 1 9 . 1 1 49 49 VAL C C 49 177.444 177.444 176.659 0.785 18225 3084 1 9 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.707 1.236 18225 3085 1 9 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.370 -0.692 18225 3086 1 9 . 1 1 49 49 VAL H H 49 7.969 7.969 7.568 0.401 18225 3087 1 9 . 1 1 50 50 LEU N N 50 119.329 119.329 114.679 4.650 18225 3088 1 9 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.744 -0.732 18225 3089 1 9 . 1 1 50 50 LEU C C 50 178.085 178.085 177.737 0.348 18225 3090 1 9 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.404 2.513 18225 3091 1 9 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.249 -0.543 18225 3092 1 9 . 1 1 50 50 LEU H H 50 7.814 7.814 7.393 0.421 18225 3093 1 9 . 1 1 51 51 TRP N N 51 118.186 118.186 124.345 -6.159 18225 3094 1 9 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.228 0.261 18225 3095 1 9 . 1 1 51 51 TRP C C 51 177.377 177.377 178.348 -0.971 18225 3096 1 9 . 1 1 51 51 TRP CA C 51 60.058 60.058 61.720 -1.662 18225 3097 1 9 . 1 1 51 51 TRP CB C 51 29.781 29.781 28.947 0.834 18225 3098 1 9 . 1 1 51 51 TRP H H 51 8.125 8.125 7.714 0.411 18225 3099 1 9 . 1 1 52 52 THR N N 52 113.180 113.180 113.086 0.094 18225 3100 1 9 . 1 1 52 52 THR HA H 52 3.787 3.787 2.903 0.884 18225 3101 1 9 . 1 1 52 52 THR C C 52 176.309 176.309 176.279 0.030 18225 3102 1 9 . 1 1 52 52 THR CA C 52 66.473 66.473 65.100 1.373 18225 3103 1 9 . 1 1 52 52 THR CB C 52 68.865 68.865 67.913 0.952 18225 3104 1 9 . 1 1 52 52 THR H H 52 8.079 8.079 8.390 -0.311 18225 3105 1 9 . 1 1 53 53 VAL N N 53 119.953 119.953 119.734 0.219 18225 3106 1 9 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.605 0.043 18225 3107 1 9 . 1 1 53 53 VAL C C 53 177.252 177.252 177.596 -0.344 18225 3108 1 9 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.694 0.392 18225 3109 1 9 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.492 0.212 18225 3110 1 9 . 1 1 53 53 VAL H H 53 7.913 7.913 7.732 0.181 18225 3111 1 9 . 1 1 54 54 PHE N N 54 118.204 118.204 119.826 -1.622 18225 3112 1 9 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.189 0.058 18225 3113 1 9 . 1 1 54 54 PHE C C 54 177.144 177.144 175.654 1.490 18225 3114 1 9 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.449 -0.995 18225 3115 1 9 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.453 -0.337 18225 3116 1 9 . 1 1 54 54 PHE H H 54 8.030 8.030 8.400 -0.370 18225 3117 1 9 . 1 1 55 55 ARG N N 55 117.725 117.725 115.126 2.599 18225 3118 1 9 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.470 -0.586 18225 3119 1 9 . 1 1 55 55 ARG C C 55 177.443 177.443 176.077 1.366 18225 3120 1 9 . 1 1 55 55 ARG CA C 55 57.554 57.554 55.494 2.060 18225 3121 1 9 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.209 0.598 18225 3122 1 9 . 1 1 55 55 ARG H H 55 8.034 8.034 7.416 0.618 18225 3123 1 9 . 1 1 56 56 LYS N N 56 118.622 118.622 120.127 -1.505 18225 3124 1 9 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.154 0.010 18225 3125 1 9 . 1 1 56 56 LYS C C 56 177.418 177.418 177.372 0.046 18225 3126 1 9 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.066 -0.549 18225 3127 1 9 . 1 1 56 56 LYS CB C 56 32.808 32.808 33.011 -0.203 18225 3128 1 9 . 1 1 56 56 LYS H H 56 7.804 7.804 7.583 0.221 18225 3129 1 9 . 1 1 57 57 LYS N N 57 118.937 118.937 118.490 0.447 18225 3130 1 9 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.071 0.187 18225 3131 1 9 . 1 1 57 57 LYS C C 57 177.029 177.029 176.938 0.091 18225 3132 1 9 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.929 -1.319 18225 3133 1 9 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.172 0.706 18225 3134 1 9 . 1 1 57 57 LYS H H 57 7.974 7.974 7.503 0.471 18225 3135 1 9 . 1 1 58 58 GLY N N 58 107.785 107.785 106.536 1.249 18225 3136 1 9 . 1 1 58 58 GLY C C 58 173.543 173.543 173.527 0.016 18225 3137 1 9 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.953 0.520 18225 3138 1 9 . 1 1 58 58 GLY H H 58 8.136 8.136 7.931 0.205 18225 3139 1 9 . 1 1 59 59 HIS N N 59 117.024 117.024 116.360 0.664 18225 3140 1 9 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.694 -0.072 18225 3141 1 9 . 1 1 59 59 HIS C C 59 174.183 174.183 173.664 0.519 18225 3142 1 9 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.018 -0.737 18225 3143 1 9 . 1 1 59 59 HIS CB C 59 29.081 29.081 31.191 -2.110 18225 3144 1 9 . 1 1 59 59 HIS H H 59 8.163 8.163 8.542 -0.379 18225 3145 1 9 . 1 1 60 60 HIS N N 60 118.841 118.841 121.682 -2.841 18225 3146 1 9 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.512 0.118 18225 3147 1 9 . 1 1 60 60 HIS C C 60 174.157 174.157 172.728 1.429 18225 3148 1 9 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.390 -1.050 18225 3149 1 9 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.358 -0.254 18225 3150 1 9 . 1 1 60 60 HIS H H 60 8.507 8.507 7.653 0.854 18225 3151 1 9 . 1 1 61 61 HIS N N 61 119.636 119.636 121.499 -1.863 18225 3152 1 9 . 1 1 61 61 HIS HA H 61 4.654 4.654 3.674 0.980 18225 3153 1 9 . 1 1 61 61 HIS C C 61 174.095 174.095 174.259 -0.164 18225 3154 1 9 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.345 -1.016 18225 3155 1 9 . 1 1 61 61 HIS CB C 61 29.234 29.234 29.936 -0.702 18225 3156 1 9 . 1 1 61 61 HIS H H 61 8.613 8.613 8.251 0.362 18225 3157 1 9 . 1 1 62 62 HIS N N 62 120.286 120.286 117.239 3.047 18225 3158 1 9 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.494 0.166 18225 3159 1 9 . 1 1 62 62 HIS C C 62 173.928 173.928 175.820 -1.892 18225 3160 1 9 . 1 1 62 62 HIS CA C 62 55.356 55.356 57.102 -1.746 18225 3161 1 9 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.490 -1.161 18225 3162 1 9 . 1 1 62 62 HIS H H 62 8.680 8.680 7.616 1.064 18225 3163 1 9 . 1 1 63 63 HIS N N 63 120.408 120.408 115.162 5.246 18225 3164 1 9 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.853 -0.204 18225 3165 1 9 . 1 1 63 63 HIS C C 63 173.437 173.437 173.795 -0.358 18225 3166 1 9 . 1 1 63 63 HIS CA C 63 55.564 55.564 54.982 0.582 18225 3167 1 9 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.237 0.246 18225 3168 1 9 . 1 1 63 63 HIS H H 63 8.541 8.541 8.359 0.182 18225 3169 1 10 . 1 1 2 2 GLU N N 2 123.432 123.432 122.903 0.529 18225 3170 1 10 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.367 0.042 18225 3171 1 10 . 1 1 2 2 GLU C C 2 175.510 175.510 175.784 -0.274 18225 3172 1 10 . 1 1 2 2 GLU CA C 2 56.216 56.216 55.947 0.269 18225 3173 1 10 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.472 1.066 18225 3174 1 10 . 1 1 2 2 GLU H H 2 8.824 8.824 8.627 0.197 18225 3175 1 10 . 1 1 3 3 GLU N N 3 121.813 121.813 120.478 1.335 18225 3176 1 10 . 1 1 3 3 GLU HA H 3 4.378 4.378 3.963 0.415 18225 3177 1 10 . 1 1 3 3 GLU C C 3 176.299 176.299 177.168 -0.869 18225 3178 1 10 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.905 -1.613 18225 3179 1 10 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.945 -0.493 18225 3180 1 10 . 1 1 3 3 GLU H H 3 8.546 8.546 8.228 0.318 18225 3181 1 10 . 1 1 4 4 GLY N N 4 109.619 109.619 112.699 -3.080 18225 3182 1 10 . 1 1 4 4 GLY C C 4 174.449 174.449 174.277 0.172 18225 3183 1 10 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.808 0.722 18225 3184 1 10 . 1 1 4 4 GLY H H 4 8.463 8.463 8.442 0.021 18225 3185 1 10 . 1 1 5 5 GLY N N 5 108.241 108.241 110.707 -2.466 18225 3186 1 10 . 1 1 5 5 GLY C C 5 173.965 173.965 174.893 -0.928 18225 3187 1 10 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.350 0.102 18225 3188 1 10 . 1 1 5 5 GLY H H 5 8.220 8.220 8.217 0.003 18225 3189 1 10 . 1 1 6 6 ASP N N 6 119.184 119.184 123.032 -3.848 18225 3190 1 10 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.371 0.227 18225 3191 1 10 . 1 1 6 6 ASP C C 6 175.801 175.801 177.020 -1.219 18225 3192 1 10 . 1 1 6 6 ASP CA C 6 53.912 53.912 56.071 -2.159 18225 3193 1 10 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.415 -2.080 18225 3194 1 10 . 1 1 6 6 ASP H H 6 8.329 8.329 8.601 -0.272 18225 3195 1 10 . 1 1 7 7 PHE N N 7 119.589 119.589 111.715 7.874 18225 3196 1 10 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.753 -0.273 18225 3197 1 10 . 1 1 7 7 PHE C C 7 175.881 175.881 173.788 2.093 18225 3198 1 10 . 1 1 7 7 PHE CA C 7 58.821 58.821 56.983 1.838 18225 3199 1 10 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.472 -0.390 18225 3200 1 10 . 1 1 7 7 PHE H H 7 8.342 8.342 7.567 0.775 18225 3201 1 10 . 1 1 8 8 ASP N N 8 118.430 118.430 123.326 -4.896 18225 3202 1 10 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.894 0.562 18225 3203 1 10 . 1 1 8 8 ASP C C 8 175.642 175.642 175.381 0.261 18225 3204 1 10 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.181 0.422 18225 3205 1 10 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.801 -2.217 18225 3206 1 10 . 1 1 8 8 ASP H H 8 8.223 8.223 8.092 0.131 18225 3207 1 10 . 1 1 9 9 ASN N N 9 117.097 117.097 119.858 -2.761 18225 3208 1 10 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.298 0.261 18225 3209 1 10 . 1 1 9 9 ASN C C 9 175.264 175.264 175.286 -0.022 18225 3210 1 10 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.903 0.942 18225 3211 1 10 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.519 0.196 18225 3212 1 10 . 1 1 9 9 ASN H H 9 8.069 8.069 8.319 -0.250 18225 3213 1 10 . 1 1 10 10 TYR N N 10 119.007 119.007 116.738 2.269 18225 3214 1 10 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.854 0.495 18225 3215 1 10 . 1 1 10 10 TYR C C 10 175.387 175.387 176.728 -1.341 18225 3216 1 10 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.752 -1.558 18225 3217 1 10 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.323 2.505 18225 3218 1 10 . 1 1 10 10 TYR H H 10 7.901 7.901 7.612 0.289 18225 3219 1 10 . 1 1 11 11 TYR N N 11 117.992 117.992 119.288 -1.296 18225 3220 1 10 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.009 0.434 18225 3221 1 10 . 1 1 11 11 TYR C C 11 175.765 175.765 177.360 -1.595 18225 3222 1 10 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.303 -1.931 18225 3223 1 10 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.290 1.504 18225 3224 1 10 . 1 1 11 11 TYR H H 11 7.885 7.885 8.955 -1.070 18225 3225 1 10 . 1 1 12 12 GLY N N 12 108.601 108.601 108.365 0.236 18225 3226 1 10 . 1 1 12 12 GLY C C 12 173.934 173.934 173.290 0.644 18225 3227 1 10 . 1 1 12 12 GLY CA C 12 45.489 45.489 44.355 1.133 18225 3228 1 10 . 1 1 12 12 GLY H H 12 7.861 7.861 8.616 -0.755 18225 3229 1 10 . 1 1 13 13 ALA N N 13 122.926 122.926 125.147 -2.221 18225 3230 1 10 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.187 0.092 18225 3231 1 10 . 1 1 13 13 ALA C C 13 177.457 177.457 178.829 -1.372 18225 3232 1 10 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.190 -1.408 18225 3233 1 10 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.583 -0.136 18225 3234 1 10 . 1 1 13 13 ALA H H 13 7.985 7.985 7.988 -0.003 18225 3235 1 10 . 1 1 14 14 ASP N N 14 117.380 117.380 118.853 -1.473 18225 3236 1 10 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.263 0.377 18225 3237 1 10 . 1 1 14 14 ASP C C 14 175.428 175.428 178.249 -2.821 18225 3238 1 10 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.898 -3.226 18225 3239 1 10 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.633 -0.268 18225 3240 1 10 . 1 1 14 14 ASP H H 14 8.330 8.330 8.710 -0.380 18225 3241 1 10 . 1 1 15 15 ASN N N 15 118.465 118.465 117.249 1.216 18225 3242 1 10 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.399 0.240 18225 3243 1 10 . 1 1 15 15 ASN C C 15 175.467 175.467 175.964 -0.497 18225 3244 1 10 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.225 -1.569 18225 3245 1 10 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.388 0.580 18225 3246 1 10 . 1 1 15 15 ASN H H 15 8.207 8.207 8.415 -0.208 18225 3247 1 10 . 1 1 16 16 GLN N N 16 119.741 119.741 117.884 1.857 18225 3248 1 10 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.595 -0.280 18225 3249 1 10 . 1 1 16 16 GLN C C 16 176.350 176.350 174.778 1.572 18225 3250 1 10 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.075 1.565 18225 3251 1 10 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.645 0.451 18225 3252 1 10 . 1 1 16 16 GLN H H 16 8.292 8.292 8.044 0.248 18225 3253 1 10 . 1 1 17 17 SER N N 17 115.772 115.772 115.247 0.525 18225 3254 1 10 . 1 1 17 17 SER HA H 17 4.390 4.390 4.590 -0.200 18225 3255 1 10 . 1 1 17 17 SER C C 17 174.799 174.799 173.870 0.929 18225 3256 1 10 . 1 1 17 17 SER CA C 17 59.165 59.165 57.365 1.800 18225 3257 1 10 . 1 1 17 17 SER CB C 17 63.651 63.651 64.963 -1.312 18225 3258 1 10 . 1 1 17 17 SER H H 17 8.224 8.224 7.701 0.523 18225 3259 1 10 . 1 1 18 18 GLU N N 18 121.211 121.211 127.365 -6.154 18225 3260 1 10 . 1 1 18 18 GLU HA H 18 4.318 4.318 3.825 0.493 18225 3261 1 10 . 1 1 18 18 GLU C C 18 176.201 176.201 175.666 0.535 18225 3262 1 10 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.850 -1.125 18225 3263 1 10 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.415 0.550 18225 3264 1 10 . 1 1 18 18 GLU H H 18 8.285 8.285 8.884 -0.599 18225 3265 1 10 . 1 1 19 19 CYS N N 19 118.653 118.653 123.758 -5.105 18225 3266 1 10 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.418 0.005 18225 3267 1 10 . 1 1 19 19 CYS C C 19 174.698 174.698 174.650 0.048 18225 3268 1 10 . 1 1 19 19 CYS CA C 19 59.075 59.075 60.205 -1.130 18225 3269 1 10 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.922 -1.072 18225 3270 1 10 . 1 1 19 19 CYS H H 19 8.202 8.202 8.431 -0.229 18225 3271 1 10 . 1 1 20 20 GLU N N 20 121.851 121.851 117.192 4.659 18225 3272 1 10 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.599 -0.334 18225 3273 1 10 . 1 1 20 20 GLU C C 20 176.100 176.100 175.364 0.736 18225 3274 1 10 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.547 0.275 18225 3275 1 10 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.464 -0.488 18225 3276 1 10 . 1 1 20 20 GLU H H 20 8.349 8.349 8.759 -0.410 18225 3277 1 10 . 1 1 21 21 TYR N N 21 118.491 118.491 117.360 1.131 18225 3278 1 10 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.940 -0.522 18225 3279 1 10 . 1 1 21 21 TYR C C 21 175.881 175.881 173.610 2.271 18225 3280 1 10 . 1 1 21 21 TYR CA C 21 58.731 58.731 55.797 2.934 18225 3281 1 10 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.368 0.258 18225 3282 1 10 . 1 1 21 21 TYR H H 21 7.974 7.974 7.671 0.303 18225 3283 1 10 . 1 1 22 22 THR N N 22 112.161 112.161 112.246 -0.085 18225 3284 1 10 . 1 1 22 22 THR HA H 22 4.105 4.105 3.915 0.190 18225 3285 1 10 . 1 1 22 22 THR C C 22 174.666 174.666 174.085 0.581 18225 3286 1 10 . 1 1 22 22 THR CA C 22 63.190 63.190 62.577 0.613 18225 3287 1 10 . 1 1 22 22 THR CB C 22 69.306 69.306 68.879 0.427 18225 3288 1 10 . 1 1 22 22 THR H H 22 7.747 7.747 7.501 0.246 18225 3289 1 10 . 1 1 23 23 ASP N N 23 120.529 120.529 120.721 -0.192 18225 3290 1 10 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.501 0.153 18225 3291 1 10 . 1 1 23 23 ASP C C 23 176.119 176.119 176.549 -0.430 18225 3292 1 10 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.968 -2.065 18225 3293 1 10 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.147 -2.009 18225 3294 1 10 . 1 1 23 23 ASP H H 23 8.114 8.114 8.486 -0.372 18225 3295 1 10 . 1 1 24 24 TRP N N 24 121.466 121.466 116.369 5.097 18225 3296 1 10 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.705 -0.229 18225 3297 1 10 . 1 1 24 24 TRP C C 24 176.578 176.578 175.518 1.060 18225 3298 1 10 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.701 1.610 18225 3299 1 10 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.608 -0.422 18225 3300 1 10 . 1 1 24 24 TRP H H 24 8.034 8.034 7.140 0.894 18225 3301 1 10 . 1 1 25 25 LYS N N 25 119.430 119.430 120.151 -0.721 18225 3302 1 10 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.303 0.742 18225 3303 1 10 . 1 1 25 25 LYS C C 25 176.798 176.798 174.773 2.025 18225 3304 1 10 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.705 1.056 18225 3305 1 10 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.762 0.647 18225 3306 1 10 . 1 1 25 25 LYS H H 25 7.880 7.880 6.739 1.141 18225 3307 1 10 . 1 1 26 26 SER N N 26 113.780 113.780 116.906 -3.126 18225 3308 1 10 . 1 1 26 26 SER HA H 26 4.461 4.461 4.617 -0.157 18225 3309 1 10 . 1 1 26 26 SER C C 26 174.957 174.957 174.784 0.173 18225 3310 1 10 . 1 1 26 26 SER CA C 26 58.760 58.760 57.933 0.827 18225 3311 1 10 . 1 1 26 26 SER CB C 26 63.889 63.889 64.517 -0.628 18225 3312 1 10 . 1 1 26 26 SER H H 26 7.893 7.893 8.065 -0.172 18225 3313 1 10 . 1 1 27 27 SER N N 27 116.730 116.730 120.628 -3.898 18225 3314 1 10 . 1 1 27 27 SER HA H 27 4.328 4.328 4.447 -0.119 18225 3315 1 10 . 1 1 27 27 SER C C 27 175.563 175.563 174.966 0.597 18225 3316 1 10 . 1 1 27 27 SER CA C 27 59.856 59.856 57.596 2.260 18225 3317 1 10 . 1 1 27 27 SER CB C 27 63.819 63.819 61.624 2.195 18225 3318 1 10 . 1 1 27 27 SER H H 27 8.137 8.137 8.705 -0.568 18225 3319 1 10 . 1 1 28 28 GLY N N 28 110.734 110.734 108.923 1.811 18225 3320 1 10 . 1 1 28 28 GLY C C 28 174.314 174.314 173.815 0.499 18225 3321 1 10 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.677 1.448 18225 3322 1 10 . 1 1 28 28 GLY H H 28 8.477 8.477 7.928 0.549 18225 3323 1 10 . 1 1 29 29 ALA N N 29 121.690 121.690 120.330 1.360 18225 3324 1 10 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.040 0.249 18225 3325 1 10 . 1 1 29 29 ALA C C 29 177.330 177.330 176.353 0.977 18225 3326 1 10 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.982 0.192 18225 3327 1 10 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.747 2.136 18225 3328 1 10 . 1 1 29 29 ALA H H 29 8.189 8.189 7.937 0.252 18225 3329 1 10 . 1 1 30 30 LEU N N 30 117.292 117.292 111.616 5.676 18225 3330 1 10 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.599 -0.520 18225 3331 1 10 . 1 1 30 30 LEU C C 30 177.377 177.377 176.889 0.488 18225 3332 1 10 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.358 2.876 18225 3333 1 10 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.207 0.207 18225 3334 1 10 . 1 1 30 30 LEU H H 30 7.873 7.873 7.660 0.213 18225 3335 1 10 . 1 1 31 31 ILE N N 31 116.517 116.517 122.048 -5.531 18225 3336 1 10 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.288 -0.405 18225 3337 1 10 . 1 1 31 31 ILE CA C 31 66.266 66.266 62.511 3.755 18225 3338 1 10 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.787 -0.031 18225 3339 1 10 . 1 1 31 31 ILE H H 31 8.262 8.262 8.356 -0.094 18225 3340 1 10 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.337 -0.125 18225 3341 1 10 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.510 0.482 18225 3342 1 10 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.756 0.236 18225 3343 1 10 . 1 1 33 33 ALA N N 33 118.208 118.208 120.471 -2.263 18225 3344 1 10 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.307 -0.241 18225 3345 1 10 . 1 1 33 33 ALA C C 33 178.814 178.814 179.162 -0.348 18225 3346 1 10 . 1 1 33 33 ALA CA C 33 55.689 55.689 54.010 1.679 18225 3347 1 10 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.129 -0.750 18225 3348 1 10 . 1 1 33 33 ALA H H 33 7.613 7.613 7.413 0.200 18225 3349 1 10 . 1 1 34 34 ILE N N 34 117.730 117.730 119.446 -1.716 18225 3350 1 10 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.642 0.023 18225 3351 1 10 . 1 1 34 34 ILE C C 34 177.826 177.826 178.021 -0.195 18225 3352 1 10 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.012 0.142 18225 3353 1 10 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.982 -0.699 18225 3354 1 10 . 1 1 34 34 ILE H H 34 8.259 8.259 7.447 0.812 18225 3355 1 10 . 1 1 35 35 TYR N N 35 118.693 118.693 119.044 -0.351 18225 3356 1 10 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.252 -0.159 18225 3357 1 10 . 1 1 35 35 TYR C C 35 177.885 177.885 177.019 0.866 18225 3358 1 10 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.044 0.594 18225 3359 1 10 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.887 -0.963 18225 3360 1 10 . 1 1 35 35 TYR H H 35 8.347 8.347 7.984 0.363 18225 3361 1 10 . 1 1 36 36 MET N N 36 117.356 117.356 119.394 -2.038 18225 3362 1 10 . 1 1 36 36 MET HA H 36 4.220 4.220 4.136 0.084 18225 3363 1 10 . 1 1 36 36 MET C C 36 177.903 177.903 177.466 0.437 18225 3364 1 10 . 1 1 36 36 MET CA C 36 58.653 58.653 58.728 -0.075 18225 3365 1 10 . 1 1 36 36 MET CB C 36 32.172 32.172 32.455 -0.283 18225 3366 1 10 . 1 1 36 36 MET H H 36 8.252 8.252 7.777 0.475 18225 3367 1 10 . 1 1 37 37 LEU N N 37 119.978 119.978 116.514 3.464 18225 3368 1 10 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.249 -0.221 18225 3369 1 10 . 1 1 37 37 LEU C C 37 178.393 178.393 178.218 0.175 18225 3370 1 10 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.630 2.011 18225 3371 1 10 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.910 0.079 18225 3372 1 10 . 1 1 37 37 LEU H H 37 8.301 8.301 7.727 0.574 18225 3373 1 10 . 1 1 38 38 VAL N N 38 117.991 117.991 116.994 0.997 18225 3374 1 10 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.006 -0.504 18225 3375 1 10 . 1 1 38 38 VAL C C 38 177.962 177.962 176.058 1.904 18225 3376 1 10 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.746 3.409 18225 3377 1 10 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.975 -0.560 18225 3378 1 10 . 1 1 38 38 VAL H H 38 8.414 8.414 7.206 1.208 18225 3379 1 10 . 1 1 39 39 PHE N N 39 119.830 119.830 120.172 -0.342 18225 3380 1 10 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.034 0.144 18225 3381 1 10 . 1 1 39 39 PHE C C 39 178.233 178.233 176.515 1.718 18225 3382 1 10 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.747 0.756 18225 3383 1 10 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.692 -0.634 18225 3384 1 10 . 1 1 39 39 PHE H H 39 8.337 8.337 7.342 0.995 18225 3385 1 10 . 1 1 40 40 LEU N N 40 119.985 119.985 113.732 6.253 18225 3386 1 10 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.229 -0.263 18225 3387 1 10 . 1 1 40 40 LEU C C 40 179.279 179.279 176.193 3.086 18225 3388 1 10 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.476 2.396 18225 3389 1 10 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.386 0.001 18225 3390 1 10 . 1 1 40 40 LEU H H 40 8.603 8.603 7.291 1.312 18225 3391 1 10 . 1 1 41 41 LEU N N 41 118.649 118.649 121.031 -2.382 18225 3392 1 10 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.479 -0.435 18225 3393 1 10 . 1 1 41 41 LEU C C 41 178.670 178.670 176.585 2.085 18225 3394 1 10 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.530 3.153 18225 3395 1 10 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.059 -0.128 18225 3396 1 10 . 1 1 41 41 LEU H H 41 8.486 8.486 7.445 1.041 18225 3397 1 10 . 1 1 42 42 GLY N N 42 105.262 105.262 109.596 -4.334 18225 3398 1 10 . 1 1 42 42 GLY C C 42 174.814 174.814 175.002 -0.188 18225 3399 1 10 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.865 0.540 18225 3400 1 10 . 1 1 42 42 GLY H H 42 8.289 8.289 8.546 -0.257 18225 3401 1 10 . 1 1 43 43 THR N N 43 111.955 111.955 112.788 -0.833 18225 3402 1 10 . 1 1 43 43 THR HA H 43 4.243 4.243 4.400 -0.157 18225 3403 1 10 . 1 1 43 43 THR C C 43 175.888 175.888 175.419 0.469 18225 3404 1 10 . 1 1 43 43 THR CA C 43 63.505 63.505 62.821 0.684 18225 3405 1 10 . 1 1 43 43 THR CB C 43 69.598 69.598 69.913 -0.315 18225 3406 1 10 . 1 1 43 43 THR H H 43 7.891 7.891 7.798 0.093 18225 3407 1 10 . 1 1 44 44 THR N N 44 111.997 111.997 117.898 -5.901 18225 3408 1 10 . 1 1 44 44 THR HA H 44 4.320 4.320 3.893 0.427 18225 3409 1 10 . 1 1 44 44 THR C C 44 175.543 175.543 175.780 -0.237 18225 3410 1 10 . 1 1 44 44 THR CA C 44 63.009 63.009 64.828 -1.819 18225 3411 1 10 . 1 1 44 44 THR CB C 44 69.881 69.881 68.634 1.247 18225 3412 1 10 . 1 1 44 44 THR H H 44 7.740 7.740 7.882 -0.142 18225 3413 1 10 . 1 1 45 45 GLY N N 45 109.564 109.564 109.510 0.054 18225 3414 1 10 . 1 1 45 45 GLY C C 45 174.928 174.928 174.335 0.593 18225 3415 1 10 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.848 0.572 18225 3416 1 10 . 1 1 45 45 GLY H H 45 8.243 8.243 8.271 -0.028 18225 3417 1 10 . 1 1 46 46 ASN N N 46 117.851 117.851 119.067 -1.216 18225 3418 1 10 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.758 -0.041 18225 3419 1 10 . 1 1 46 46 ASN C C 46 176.127 176.127 174.452 1.675 18225 3420 1 10 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.005 1.609 18225 3421 1 10 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.813 0.498 18225 3422 1 10 . 1 1 46 46 ASN H H 46 8.170 8.170 7.900 0.270 18225 3423 1 10 . 1 1 47 47 GLY N N 47 108.287 108.287 108.197 0.090 18225 3424 1 10 . 1 1 47 47 GLY C C 47 174.612 174.612 174.782 -0.170 18225 3425 1 10 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.562 1.679 18225 3426 1 10 . 1 1 47 47 GLY H H 47 8.663 8.663 8.270 0.393 18225 3427 1 10 . 1 1 48 48 LEU N N 48 120.479 120.479 119.403 1.076 18225 3428 1 10 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.622 -0.354 18225 3429 1 10 . 1 1 48 48 LEU C C 48 179.407 179.407 177.996 1.411 18225 3430 1 10 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.306 1.286 18225 3431 1 10 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.100 -0.362 18225 3432 1 10 . 1 1 48 48 LEU H H 48 8.149 8.149 7.705 0.444 18225 3433 1 10 . 1 1 49 49 VAL N N 49 119.968 119.968 117.471 2.497 18225 3434 1 10 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.733 0.083 18225 3435 1 10 . 1 1 49 49 VAL C C 49 177.444 177.444 176.686 0.758 18225 3436 1 10 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.344 1.599 18225 3437 1 10 . 1 1 49 49 VAL CB C 49 31.678 31.678 30.557 1.121 18225 3438 1 10 . 1 1 49 49 VAL H H 49 7.969 7.969 8.224 -0.255 18225 3439 1 10 . 1 1 50 50 LEU N N 50 119.329 119.329 117.623 1.706 18225 3440 1 10 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.282 -0.270 18225 3441 1 10 . 1 1 50 50 LEU C C 50 178.085 178.085 176.961 1.124 18225 3442 1 10 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.898 2.019 18225 3443 1 10 . 1 1 50 50 LEU CB C 50 41.706 41.706 40.748 0.958 18225 3444 1 10 . 1 1 50 50 LEU H H 50 7.814 7.814 7.709 0.105 18225 3445 1 10 . 1 1 51 51 TRP N N 51 118.186 118.186 121.615 -3.429 18225 3446 1 10 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.589 -0.100 18225 3447 1 10 . 1 1 51 51 TRP C C 51 177.377 177.377 177.259 0.118 18225 3448 1 10 . 1 1 51 51 TRP CA C 51 60.058 60.058 58.672 1.387 18225 3449 1 10 . 1 1 51 51 TRP CB C 51 29.781 29.781 31.113 -1.332 18225 3450 1 10 . 1 1 51 51 TRP H H 51 8.125 8.125 8.525 -0.400 18225 3451 1 10 . 1 1 52 52 THR N N 52 113.180 113.180 115.978 -2.798 18225 3452 1 10 . 1 1 52 52 THR HA H 52 3.787 3.787 3.331 0.456 18225 3453 1 10 . 1 1 52 52 THR C C 52 176.309 176.309 176.315 -0.006 18225 3454 1 10 . 1 1 52 52 THR CA C 52 66.473 66.473 65.168 1.305 18225 3455 1 10 . 1 1 52 52 THR CB C 52 68.865 68.865 68.125 0.740 18225 3456 1 10 . 1 1 52 52 THR H H 52 8.079 8.079 7.280 0.799 18225 3457 1 10 . 1 1 53 53 VAL N N 53 119.953 119.953 121.769 -1.816 18225 3458 1 10 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.560 0.088 18225 3459 1 10 . 1 1 53 53 VAL C C 53 177.252 177.252 177.614 -0.362 18225 3460 1 10 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.797 0.289 18225 3461 1 10 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.595 0.109 18225 3462 1 10 . 1 1 53 53 VAL H H 53 7.913 7.913 7.304 0.609 18225 3463 1 10 . 1 1 54 54 PHE N N 54 118.204 118.204 116.174 2.030 18225 3464 1 10 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.098 0.149 18225 3465 1 10 . 1 1 54 54 PHE C C 54 177.144 177.144 177.574 -0.430 18225 3466 1 10 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.247 -0.793 18225 3467 1 10 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.413 0.703 18225 3468 1 10 . 1 1 54 54 PHE H H 54 8.030 8.030 8.212 -0.182 18225 3469 1 10 . 1 1 55 55 ARG N N 55 117.725 117.725 118.029 -0.304 18225 3470 1 10 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.115 -0.231 18225 3471 1 10 . 1 1 55 55 ARG C C 55 177.443 177.443 178.779 -1.336 18225 3472 1 10 . 1 1 55 55 ARG CA C 55 57.554 57.554 58.864 -1.310 18225 3473 1 10 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.285 -0.478 18225 3474 1 10 . 1 1 55 55 ARG H H 55 8.034 8.034 8.262 -0.228 18225 3475 1 10 . 1 1 56 56 LYS N N 56 118.622 118.622 118.704 -0.082 18225 3476 1 10 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.153 0.011 18225 3477 1 10 . 1 1 56 56 LYS C C 56 177.418 177.418 177.944 -0.526 18225 3478 1 10 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.083 1.434 18225 3479 1 10 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.300 1.508 18225 3480 1 10 . 1 1 56 56 LYS H H 56 7.804 7.804 8.185 -0.381 18225 3481 1 10 . 1 1 57 57 LYS N N 57 118.937 118.937 120.012 -1.075 18225 3482 1 10 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.966 0.292 18225 3483 1 10 . 1 1 57 57 LYS C C 57 177.029 177.029 178.449 -1.420 18225 3484 1 10 . 1 1 57 57 LYS CA C 57 56.610 56.610 59.228 -2.618 18225 3485 1 10 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.477 0.401 18225 3486 1 10 . 1 1 57 57 LYS H H 57 7.974 7.974 7.348 0.626 18225 3487 1 10 . 1 1 58 58 GLY N N 58 107.785 107.785 106.831 0.954 18225 3488 1 10 . 1 1 58 58 GLY C C 58 173.543 173.543 173.772 -0.229 18225 3489 1 10 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.951 -0.478 18225 3490 1 10 . 1 1 58 58 GLY H H 58 8.136 8.136 8.081 0.055 18225 3491 1 10 . 1 1 59 59 HIS N N 59 117.024 117.024 116.623 0.401 18225 3492 1 10 . 1 1 59 59 HIS HA H 59 4.622 4.622 5.031 -0.409 18225 3493 1 10 . 1 1 59 59 HIS C C 59 174.183 174.183 173.385 0.798 18225 3494 1 10 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.897 0.384 18225 3495 1 10 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.588 -0.507 18225 3496 1 10 . 1 1 59 59 HIS H H 59 8.163 8.163 8.542 -0.379 18225 3497 1 10 . 1 1 60 60 HIS N N 60 118.841 118.841 123.075 -4.234 18225 3498 1 10 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.549 0.081 18225 3499 1 10 . 1 1 60 60 HIS C C 60 174.157 174.157 173.589 0.568 18225 3500 1 10 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.719 -0.379 18225 3501 1 10 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.977 -2.873 18225 3502 1 10 . 1 1 60 60 HIS H H 60 8.507 8.507 8.561 -0.054 18225 3503 1 10 . 1 1 61 61 HIS N N 61 119.636 119.636 122.072 -2.436 18225 3504 1 10 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.314 0.340 18225 3505 1 10 . 1 1 61 61 HIS C C 61 174.095 174.095 175.085 -0.990 18225 3506 1 10 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.536 -1.207 18225 3507 1 10 . 1 1 61 61 HIS CB C 61 29.234 29.234 29.033 0.201 18225 3508 1 10 . 1 1 61 61 HIS H H 61 8.613 8.613 8.847 -0.234 18225 3509 1 10 . 1 1 62 62 HIS N N 62 120.286 120.286 118.826 1.460 18225 3510 1 10 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.457 0.203 18225 3511 1 10 . 1 1 62 62 HIS C C 62 173.928 173.928 174.581 -0.653 18225 3512 1 10 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.552 -1.196 18225 3513 1 10 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.954 -0.625 18225 3514 1 10 . 1 1 62 62 HIS H H 62 8.680 8.680 8.370 0.310 18225 3515 1 10 . 1 1 63 63 HIS N N 63 120.408 120.408 117.105 3.303 18225 3516 1 10 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.650 -0.001 18225 3517 1 10 . 1 1 63 63 HIS C C 63 173.437 173.437 174.116 -0.679 18225 3518 1 10 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.975 -0.411 18225 3519 1 10 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.233 0.250 18225 3520 1 10 . 1 1 63 63 HIS H H 63 8.541 8.541 7.802 0.739 18225 3521 1 11 . 1 1 2 2 GLU N N 2 123.432 123.432 122.770 0.662 18225 3522 1 11 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.606 -0.197 18225 3523 1 11 . 1 1 2 2 GLU C C 2 175.510 175.510 175.230 0.280 18225 3524 1 11 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.932 -0.716 18225 3525 1 11 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.254 -0.716 18225 3526 1 11 . 1 1 2 2 GLU H H 2 8.824 8.824 8.779 0.045 18225 3527 1 11 . 1 1 3 3 GLU N N 3 121.813 121.813 121.384 0.429 18225 3528 1 11 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.308 0.070 18225 3529 1 11 . 1 1 3 3 GLU C C 3 176.299 176.299 176.971 -0.672 18225 3530 1 11 . 1 1 3 3 GLU CA C 3 56.292 56.292 58.043 -1.751 18225 3531 1 11 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.997 -0.545 18225 3532 1 11 . 1 1 3 3 GLU H H 3 8.546 8.546 8.666 -0.120 18225 3533 1 11 . 1 1 4 4 GLY N N 4 109.619 109.619 111.620 -2.001 18225 3534 1 11 . 1 1 4 4 GLY C C 4 174.449 174.449 173.890 0.559 18225 3535 1 11 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.916 0.614 18225 3536 1 11 . 1 1 4 4 GLY H H 4 8.463 8.463 9.171 -0.708 18225 3537 1 11 . 1 1 5 5 GLY N N 5 108.241 108.241 108.428 -0.187 18225 3538 1 11 . 1 1 5 5 GLY C C 5 173.965 173.965 173.919 0.046 18225 3539 1 11 . 1 1 5 5 GLY CA C 5 45.452 45.452 46.084 -0.632 18225 3540 1 11 . 1 1 5 5 GLY H H 5 8.220 8.220 7.881 0.339 18225 3541 1 11 . 1 1 6 6 ASP N N 6 119.184 119.184 121.261 -2.077 18225 3542 1 11 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.130 0.468 18225 3543 1 11 . 1 1 6 6 ASP C C 6 175.801 175.801 174.546 1.255 18225 3544 1 11 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.183 -1.271 18225 3545 1 11 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.233 -0.898 18225 3546 1 11 . 1 1 6 6 ASP H H 6 8.329 8.329 8.088 0.241 18225 3547 1 11 . 1 1 7 7 PHE N N 7 119.589 119.589 114.474 5.115 18225 3548 1 11 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.731 -0.251 18225 3549 1 11 . 1 1 7 7 PHE C C 7 175.881 175.881 174.056 1.825 18225 3550 1 11 . 1 1 7 7 PHE CA C 7 58.821 58.821 55.358 3.463 18225 3551 1 11 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.246 0.836 18225 3552 1 11 . 1 1 7 7 PHE H H 7 8.342 8.342 7.335 1.007 18225 3553 1 11 . 1 1 8 8 ASP N N 8 118.430 118.430 123.875 -5.445 18225 3554 1 11 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.814 -0.358 18225 3555 1 11 . 1 1 8 8 ASP C C 8 175.642 175.642 174.689 0.953 18225 3556 1 11 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.476 0.127 18225 3557 1 11 . 1 1 8 8 ASP CB C 8 38.584 38.584 42.925 -4.341 18225 3558 1 11 . 1 1 8 8 ASP H H 8 8.223 8.223 8.751 -0.528 18225 3559 1 11 . 1 1 9 9 ASN N N 9 117.097 117.097 122.027 -4.930 18225 3560 1 11 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.515 0.044 18225 3561 1 11 . 1 1 9 9 ASN C C 9 175.264 175.264 174.297 0.967 18225 3562 1 11 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.172 0.672 18225 3563 1 11 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.671 -0.956 18225 3564 1 11 . 1 1 9 9 ASN H H 9 8.069 8.069 8.524 -0.455 18225 3565 1 11 . 1 1 10 10 TYR N N 10 119.007 119.007 117.714 1.293 18225 3566 1 11 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.655 -0.306 18225 3567 1 11 . 1 1 10 10 TYR C C 10 175.387 175.387 176.391 -1.004 18225 3568 1 11 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.288 0.906 18225 3569 1 11 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.946 -0.118 18225 3570 1 11 . 1 1 10 10 TYR H H 10 7.901 7.901 7.741 0.160 18225 3571 1 11 . 1 1 11 11 TYR N N 11 117.992 117.992 118.631 -0.639 18225 3572 1 11 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.059 0.384 18225 3573 1 11 . 1 1 11 11 TYR C C 11 175.765 175.765 176.315 -0.550 18225 3574 1 11 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.190 -1.818 18225 3575 1 11 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.569 1.226 18225 3576 1 11 . 1 1 11 11 TYR H H 11 7.885 7.885 8.507 -0.622 18225 3577 1 11 . 1 1 12 12 GLY N N 12 108.601 108.601 105.507 3.094 18225 3578 1 11 . 1 1 12 12 GLY C C 12 173.934 173.934 173.810 0.124 18225 3579 1 11 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.150 0.339 18225 3580 1 11 . 1 1 12 12 GLY H H 12 7.861 7.861 8.809 -0.948 18225 3581 1 11 . 1 1 13 13 ALA N N 13 122.926 122.926 123.222 -0.296 18225 3582 1 11 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.047 0.232 18225 3583 1 11 . 1 1 13 13 ALA C C 13 177.457 177.457 176.823 0.634 18225 3584 1 11 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.366 -0.584 18225 3585 1 11 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.085 1.362 18225 3586 1 11 . 1 1 13 13 ALA H H 13 7.985 7.985 7.607 0.378 18225 3587 1 11 . 1 1 14 14 ASP N N 14 117.380 117.380 119.664 -2.284 18225 3588 1 11 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.403 0.237 18225 3589 1 11 . 1 1 14 14 ASP C C 14 175.428 175.428 178.049 -2.621 18225 3590 1 11 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.486 -2.814 18225 3591 1 11 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.408 -1.043 18225 3592 1 11 . 1 1 14 14 ASP H H 14 8.330 8.330 8.572 -0.242 18225 3593 1 11 . 1 1 15 15 ASN N N 15 118.465 118.465 118.640 -0.175 18225 3594 1 11 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.569 0.070 18225 3595 1 11 . 1 1 15 15 ASN C C 15 175.467 175.467 176.638 -1.171 18225 3596 1 11 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.420 -1.763 18225 3597 1 11 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.146 -0.178 18225 3598 1 11 . 1 1 15 15 ASN H H 15 8.207 8.207 7.787 0.420 18225 3599 1 11 . 1 1 16 16 GLN N N 16 119.741 119.741 118.180 1.561 18225 3600 1 11 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.619 -0.304 18225 3601 1 11 . 1 1 16 16 GLN C C 16 176.350 176.350 174.903 1.447 18225 3602 1 11 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.666 0.974 18225 3603 1 11 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.436 0.660 18225 3604 1 11 . 1 1 16 16 GLN H H 16 8.292 8.292 8.186 0.106 18225 3605 1 11 . 1 1 17 17 SER N N 17 115.772 115.772 115.463 0.309 18225 3606 1 11 . 1 1 17 17 SER HA H 17 4.390 4.390 4.626 -0.236 18225 3607 1 11 . 1 1 17 17 SER C C 17 174.799 174.799 173.424 1.375 18225 3608 1 11 . 1 1 17 17 SER CA C 17 59.165 59.165 57.656 1.509 18225 3609 1 11 . 1 1 17 17 SER CB C 17 63.651 63.651 63.661 -0.010 18225 3610 1 11 . 1 1 17 17 SER H H 17 8.224 8.224 7.627 0.597 18225 3611 1 11 . 1 1 18 18 GLU N N 18 121.211 121.211 120.938 0.273 18225 3612 1 11 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.192 0.126 18225 3613 1 11 . 1 1 18 18 GLU C C 18 176.201 176.201 175.589 0.612 18225 3614 1 11 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.816 -1.091 18225 3615 1 11 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.274 -0.309 18225 3616 1 11 . 1 1 18 18 GLU H H 18 8.285 8.285 8.630 -0.345 18225 3617 1 11 . 1 1 19 19 CYS N N 19 118.653 118.653 123.724 -5.071 18225 3618 1 11 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.644 -0.221 18225 3619 1 11 . 1 1 19 19 CYS C C 19 174.698 174.698 174.936 -0.238 18225 3620 1 11 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.888 0.187 18225 3621 1 11 . 1 1 19 19 CYS CB C 19 27.850 27.850 27.382 0.468 18225 3622 1 11 . 1 1 19 19 CYS H H 19 8.202 8.202 9.220 -1.018 18225 3623 1 11 . 1 1 20 20 GLU N N 20 121.851 121.851 117.849 4.002 18225 3624 1 11 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.102 0.163 18225 3625 1 11 . 1 1 20 20 GLU C C 20 176.100 176.100 174.885 1.215 18225 3626 1 11 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.371 -0.549 18225 3627 1 11 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.430 1.546 18225 3628 1 11 . 1 1 20 20 GLU H H 20 8.349 8.349 8.503 -0.154 18225 3629 1 11 . 1 1 21 21 TYR N N 21 118.491 118.491 114.276 4.215 18225 3630 1 11 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.196 -0.778 18225 3631 1 11 . 1 1 21 21 TYR C C 21 175.881 175.881 174.793 1.088 18225 3632 1 11 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.894 0.837 18225 3633 1 11 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.698 -0.072 18225 3634 1 11 . 1 1 21 21 TYR H H 21 7.974 7.974 8.071 -0.097 18225 3635 1 11 . 1 1 22 22 THR N N 22 112.161 112.161 112.816 -0.655 18225 3636 1 11 . 1 1 22 22 THR HA H 22 4.105 4.105 4.034 0.071 18225 3637 1 11 . 1 1 22 22 THR C C 22 174.666 174.666 175.821 -1.155 18225 3638 1 11 . 1 1 22 22 THR CA C 22 63.190 63.190 62.133 1.056 18225 3639 1 11 . 1 1 22 22 THR CB C 22 69.306 69.306 68.320 0.986 18225 3640 1 11 . 1 1 22 22 THR H H 22 7.747 7.747 7.439 0.308 18225 3641 1 11 . 1 1 23 23 ASP N N 23 120.529 120.529 120.891 -0.362 18225 3642 1 11 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.533 0.121 18225 3643 1 11 . 1 1 23 23 ASP C C 23 176.119 176.119 176.508 -0.389 18225 3644 1 11 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.005 -2.102 18225 3645 1 11 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.806 -1.667 18225 3646 1 11 . 1 1 23 23 ASP H H 23 8.114 8.114 8.405 -0.291 18225 3647 1 11 . 1 1 24 24 TRP N N 24 121.466 121.466 117.319 4.147 18225 3648 1 11 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.473 0.003 18225 3649 1 11 . 1 1 24 24 TRP C C 24 176.578 176.578 175.467 1.111 18225 3650 1 11 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.676 2.635 18225 3651 1 11 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.815 0.371 18225 3652 1 11 . 1 1 24 24 TRP H H 24 8.034 8.034 7.688 0.346 18225 3653 1 11 . 1 1 25 25 LYS N N 25 119.430 119.430 123.039 -3.609 18225 3654 1 11 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.221 0.824 18225 3655 1 11 . 1 1 25 25 LYS C C 25 176.798 176.798 175.773 1.025 18225 3656 1 11 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.828 0.933 18225 3657 1 11 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.582 -0.173 18225 3658 1 11 . 1 1 25 25 LYS H H 25 7.880 7.880 6.904 0.976 18225 3659 1 11 . 1 1 26 26 SER N N 26 113.780 113.780 121.938 -8.158 18225 3660 1 11 . 1 1 26 26 SER HA H 26 4.461 4.461 4.458 0.003 18225 3661 1 11 . 1 1 26 26 SER C C 26 174.957 174.957 174.350 0.607 18225 3662 1 11 . 1 1 26 26 SER CA C 26 58.760 58.760 57.395 1.365 18225 3663 1 11 . 1 1 26 26 SER CB C 26 63.889 63.889 62.677 1.212 18225 3664 1 11 . 1 1 26 26 SER H H 26 7.893 7.893 7.862 0.031 18225 3665 1 11 . 1 1 27 27 SER N N 27 116.730 116.730 120.749 -4.019 18225 3666 1 11 . 1 1 27 27 SER HA H 27 4.328 4.328 4.232 0.096 18225 3667 1 11 . 1 1 27 27 SER C C 27 175.563 175.563 175.516 0.047 18225 3668 1 11 . 1 1 27 27 SER CA C 27 59.856 59.856 60.625 -0.769 18225 3669 1 11 . 1 1 27 27 SER CB C 27 63.819 63.819 63.301 0.518 18225 3670 1 11 . 1 1 27 27 SER H H 27 8.137 8.137 8.192 -0.055 18225 3671 1 11 . 1 1 28 28 GLY N N 28 110.734 110.734 106.173 4.561 18225 3672 1 11 . 1 1 28 28 GLY C C 28 174.314 174.314 173.480 0.834 18225 3673 1 11 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.598 1.527 18225 3674 1 11 . 1 1 28 28 GLY H H 28 8.477 8.477 7.768 0.709 18225 3675 1 11 . 1 1 29 29 ALA N N 29 121.690 121.690 121.207 0.483 18225 3676 1 11 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.012 0.277 18225 3677 1 11 . 1 1 29 29 ALA C C 29 177.330 177.330 176.601 0.729 18225 3678 1 11 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.452 -0.278 18225 3679 1 11 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.480 2.405 18225 3680 1 11 . 1 1 29 29 ALA H H 29 8.189 8.189 8.033 0.156 18225 3681 1 11 . 1 1 30 30 LEU N N 30 117.292 117.292 111.167 6.125 18225 3682 1 11 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.562 -0.483 18225 3683 1 11 . 1 1 30 30 LEU C C 30 177.377 177.377 177.456 -0.079 18225 3684 1 11 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.245 2.989 18225 3685 1 11 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.479 -0.065 18225 3686 1 11 . 1 1 30 30 LEU H H 30 7.873 7.873 7.834 0.039 18225 3687 1 11 . 1 1 31 31 ILE N N 31 116.517 116.517 123.893 -7.376 18225 3688 1 11 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.182 -0.299 18225 3689 1 11 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.783 2.483 18225 3690 1 11 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.800 -1.044 18225 3691 1 11 . 1 1 31 31 ILE H H 31 8.262 8.262 8.208 0.054 18225 3692 1 11 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.378 -0.166 18225 3693 1 11 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.129 0.864 18225 3694 1 11 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.740 0.252 18225 3695 1 11 . 1 1 33 33 ALA N N 33 118.208 118.208 119.400 -1.192 18225 3696 1 11 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.452 -0.386 18225 3697 1 11 . 1 1 33 33 ALA C C 33 178.814 178.814 178.955 -0.141 18225 3698 1 11 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.269 2.420 18225 3699 1 11 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.619 -1.240 18225 3700 1 11 . 1 1 33 33 ALA H H 33 7.613 7.613 7.347 0.266 18225 3701 1 11 . 1 1 34 34 ILE N N 34 117.730 117.730 119.413 -1.683 18225 3702 1 11 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.714 -0.049 18225 3703 1 11 . 1 1 34 34 ILE C C 34 177.826 177.826 177.796 0.030 18225 3704 1 11 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.696 0.458 18225 3705 1 11 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.083 -0.800 18225 3706 1 11 . 1 1 34 34 ILE H H 34 8.259 8.259 7.603 0.656 18225 3707 1 11 . 1 1 35 35 TYR N N 35 118.693 118.693 118.756 -0.063 18225 3708 1 11 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.170 -0.077 18225 3709 1 11 . 1 1 35 35 TYR C C 35 177.885 177.885 177.033 0.852 18225 3710 1 11 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.964 0.674 18225 3711 1 11 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.502 -0.578 18225 3712 1 11 . 1 1 35 35 TYR H H 35 8.347 8.347 8.158 0.189 18225 3713 1 11 . 1 1 36 36 MET N N 36 117.356 117.356 119.801 -2.445 18225 3714 1 11 . 1 1 36 36 MET HA H 36 4.220 4.220 3.609 0.611 18225 3715 1 11 . 1 1 36 36 MET C C 36 177.903 177.903 177.709 0.194 18225 3716 1 11 . 1 1 36 36 MET CA C 36 58.653 58.653 57.690 0.963 18225 3717 1 11 . 1 1 36 36 MET CB C 36 32.172 32.172 32.382 -0.210 18225 3718 1 11 . 1 1 36 36 MET H H 36 8.252 8.252 7.849 0.403 18225 3719 1 11 . 1 1 37 37 LEU N N 37 119.978 119.978 119.152 0.826 18225 3720 1 11 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.140 -0.112 18225 3721 1 11 . 1 1 37 37 LEU C C 37 178.393 178.393 177.028 1.365 18225 3722 1 11 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.718 1.924 18225 3723 1 11 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.002 0.987 18225 3724 1 11 . 1 1 37 37 LEU H H 37 8.301 8.301 7.738 0.563 18225 3725 1 11 . 1 1 38 38 VAL N N 38 117.991 117.991 116.314 1.677 18225 3726 1 11 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.198 -0.696 18225 3727 1 11 . 1 1 38 38 VAL C C 38 177.962 177.962 174.852 3.110 18225 3728 1 11 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.171 4.984 18225 3729 1 11 . 1 1 38 38 VAL CB C 38 31.415 31.415 32.440 -1.025 18225 3730 1 11 . 1 1 38 38 VAL H H 38 8.414 8.414 7.317 1.097 18225 3731 1 11 . 1 1 39 39 PHE N N 39 119.830 119.830 123.025 -3.195 18225 3732 1 11 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.542 -0.364 18225 3733 1 11 . 1 1 39 39 PHE C C 39 178.233 178.233 175.718 2.515 18225 3734 1 11 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.445 0.058 18225 3735 1 11 . 1 1 39 39 PHE CB C 39 39.058 39.058 41.011 -1.953 18225 3736 1 11 . 1 1 39 39 PHE H H 39 8.337 8.337 7.798 0.539 18225 3737 1 11 . 1 1 40 40 LEU N N 40 119.985 119.985 115.427 4.558 18225 3738 1 11 . 1 1 40 40 LEU HA H 40 3.966 3.966 3.751 0.215 18225 3739 1 11 . 1 1 40 40 LEU C C 40 179.279 179.279 176.530 2.749 18225 3740 1 11 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.579 1.293 18225 3741 1 11 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.398 0.990 18225 3742 1 11 . 1 1 40 40 LEU H H 40 8.603 8.603 7.349 1.254 18225 3743 1 11 . 1 1 41 41 LEU N N 41 118.649 118.649 115.589 3.060 18225 3744 1 11 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.341 -0.297 18225 3745 1 11 . 1 1 41 41 LEU C C 41 178.670 178.670 178.469 0.201 18225 3746 1 11 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.181 2.502 18225 3747 1 11 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.702 -0.770 18225 3748 1 11 . 1 1 41 41 LEU H H 41 8.486 8.486 7.466 1.020 18225 3749 1 11 . 1 1 42 42 GLY N N 42 105.262 105.262 108.632 -3.370 18225 3750 1 11 . 1 1 42 42 GLY C C 42 174.814 174.814 175.475 -0.661 18225 3751 1 11 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.227 -0.822 18225 3752 1 11 . 1 1 42 42 GLY H H 42 8.289 8.289 8.050 0.239 18225 3753 1 11 . 1 1 43 43 THR N N 43 111.955 111.955 114.711 -2.756 18225 3754 1 11 . 1 1 43 43 THR HA H 43 4.243 4.243 4.462 -0.219 18225 3755 1 11 . 1 1 43 43 THR C C 43 175.888 175.888 176.246 -0.358 18225 3756 1 11 . 1 1 43 43 THR CA C 43 63.505 63.505 64.126 -0.621 18225 3757 1 11 . 1 1 43 43 THR CB C 43 69.598 69.598 69.730 -0.132 18225 3758 1 11 . 1 1 43 43 THR H H 43 7.891 7.891 7.486 0.405 18225 3759 1 11 . 1 1 44 44 THR N N 44 111.997 111.997 116.799 -4.802 18225 3760 1 11 . 1 1 44 44 THR HA H 44 4.320 4.320 4.100 0.220 18225 3761 1 11 . 1 1 44 44 THR C C 44 175.543 175.543 175.772 -0.229 18225 3762 1 11 . 1 1 44 44 THR CA C 44 63.009 63.009 63.883 -0.874 18225 3763 1 11 . 1 1 44 44 THR CB C 44 69.881 69.881 67.910 1.971 18225 3764 1 11 . 1 1 44 44 THR H H 44 7.740 7.740 7.329 0.411 18225 3765 1 11 . 1 1 45 45 GLY N N 45 109.564 109.564 108.058 1.506 18225 3766 1 11 . 1 1 45 45 GLY C C 45 174.928 174.928 173.970 0.958 18225 3767 1 11 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.755 1.665 18225 3768 1 11 . 1 1 45 45 GLY H H 45 8.243 8.243 8.286 -0.043 18225 3769 1 11 . 1 1 46 46 ASN N N 46 117.851 117.851 118.134 -0.283 18225 3770 1 11 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.812 -0.095 18225 3771 1 11 . 1 1 46 46 ASN C C 46 176.127 176.127 176.172 -0.045 18225 3772 1 11 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.491 1.123 18225 3773 1 11 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.829 -0.518 18225 3774 1 11 . 1 1 46 46 ASN H H 46 8.170 8.170 7.613 0.557 18225 3775 1 11 . 1 1 47 47 GLY N N 47 108.287 108.287 109.099 -0.812 18225 3776 1 11 . 1 1 47 47 GLY C C 47 174.612 174.612 174.078 0.534 18225 3777 1 11 . 1 1 47 47 GLY CA C 47 47.241 47.241 46.089 1.152 18225 3778 1 11 . 1 1 47 47 GLY H H 47 8.663 8.663 8.360 0.303 18225 3779 1 11 . 1 1 48 48 LEU N N 48 120.479 120.479 123.652 -3.173 18225 3780 1 11 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.857 -0.589 18225 3781 1 11 . 1 1 48 48 LEU C C 48 179.407 179.407 176.422 2.985 18225 3782 1 11 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.399 2.193 18225 3783 1 11 . 1 1 48 48 LEU CB C 48 41.738 41.738 44.111 -2.373 18225 3784 1 11 . 1 1 48 48 LEU H H 48 8.149 8.149 8.566 -0.417 18225 3785 1 11 . 1 1 49 49 VAL N N 49 119.968 119.968 120.411 -0.443 18225 3786 1 11 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.097 -0.281 18225 3787 1 11 . 1 1 49 49 VAL C C 49 177.444 177.444 176.036 1.408 18225 3788 1 11 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.194 1.749 18225 3789 1 11 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.483 -0.805 18225 3790 1 11 . 1 1 49 49 VAL H H 49 7.969 7.969 7.541 0.428 18225 3791 1 11 . 1 1 50 50 LEU N N 50 119.329 119.329 114.564 4.765 18225 3792 1 11 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.707 -0.695 18225 3793 1 11 . 1 1 50 50 LEU C C 50 178.085 178.085 176.414 1.671 18225 3794 1 11 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.028 2.889 18225 3795 1 11 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.086 -0.380 18225 3796 1 11 . 1 1 50 50 LEU H H 50 7.814 7.814 7.696 0.118 18225 3797 1 11 . 1 1 51 51 TRP N N 51 118.186 118.186 122.083 -3.897 18225 3798 1 11 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.646 -0.157 18225 3799 1 11 . 1 1 51 51 TRP C C 51 177.377 177.377 178.011 -0.634 18225 3800 1 11 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.061 0.997 18225 3801 1 11 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.172 -0.391 18225 3802 1 11 . 1 1 51 51 TRP H H 51 8.125 8.125 7.684 0.441 18225 3803 1 11 . 1 1 52 52 THR N N 52 113.180 113.180 115.016 -1.836 18225 3804 1 11 . 1 1 52 52 THR HA H 52 3.787 3.787 2.861 0.926 18225 3805 1 11 . 1 1 52 52 THR C C 52 176.309 176.309 176.277 0.032 18225 3806 1 11 . 1 1 52 52 THR CA C 52 66.473 66.473 65.259 1.214 18225 3807 1 11 . 1 1 52 52 THR CB C 52 68.865 68.865 67.840 1.025 18225 3808 1 11 . 1 1 52 52 THR H H 52 8.079 8.079 8.235 -0.156 18225 3809 1 11 . 1 1 53 53 VAL N N 53 119.953 119.953 120.360 -0.407 18225 3810 1 11 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.646 0.002 18225 3811 1 11 . 1 1 53 53 VAL C C 53 177.252 177.252 177.693 -0.441 18225 3812 1 11 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.654 0.432 18225 3813 1 11 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.132 0.572 18225 3814 1 11 . 1 1 53 53 VAL H H 53 7.913 7.913 8.008 -0.095 18225 3815 1 11 . 1 1 54 54 PHE N N 54 118.204 118.204 118.394 -0.190 18225 3816 1 11 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.236 0.011 18225 3817 1 11 . 1 1 54 54 PHE C C 54 177.144 177.144 176.337 0.807 18225 3818 1 11 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.656 -0.202 18225 3819 1 11 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.211 -0.095 18225 3820 1 11 . 1 1 54 54 PHE H H 54 8.030 8.030 8.035 -0.005 18225 3821 1 11 . 1 1 55 55 ARG N N 55 117.725 117.725 118.844 -1.119 18225 3822 1 11 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.468 -0.584 18225 3823 1 11 . 1 1 55 55 ARG C C 55 177.443 177.443 178.940 -1.497 18225 3824 1 11 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.847 0.707 18225 3825 1 11 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.149 -0.342 18225 3826 1 11 . 1 1 55 55 ARG H H 55 8.034 8.034 8.191 -0.157 18225 3827 1 11 . 1 1 56 56 LYS N N 56 118.622 118.622 120.620 -1.998 18225 3828 1 11 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.016 0.148 18225 3829 1 11 . 1 1 56 56 LYS C C 56 177.418 177.418 178.332 -0.914 18225 3830 1 11 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.581 -1.064 18225 3831 1 11 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.307 0.501 18225 3832 1 11 . 1 1 56 56 LYS H H 56 7.804 7.804 8.365 -0.561 18225 3833 1 11 . 1 1 57 57 LYS N N 57 118.937 118.937 114.637 4.300 18225 3834 1 11 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.043 0.215 18225 3835 1 11 . 1 1 57 57 LYS C C 57 177.029 177.029 177.469 -0.440 18225 3836 1 11 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.463 -0.853 18225 3837 1 11 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.345 0.533 18225 3838 1 11 . 1 1 57 57 LYS H H 57 7.974 7.974 7.597 0.377 18225 3839 1 11 . 1 1 58 58 GLY N N 58 107.785 107.785 108.010 -0.225 18225 3840 1 11 . 1 1 58 58 GLY C C 58 173.543 173.543 174.563 -1.020 18225 3841 1 11 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.474 1.000 18225 3842 1 11 . 1 1 58 58 GLY H H 58 8.136 8.136 7.523 0.613 18225 3843 1 11 . 1 1 59 59 HIS N N 59 117.024 117.024 116.373 0.651 18225 3844 1 11 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.948 0.674 18225 3845 1 11 . 1 1 59 59 HIS C C 59 174.183 174.183 174.854 -0.671 18225 3846 1 11 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.721 -1.440 18225 3847 1 11 . 1 1 59 59 HIS CB C 59 29.081 29.081 28.695 0.386 18225 3848 1 11 . 1 1 59 59 HIS H H 59 8.163 8.163 8.361 -0.198 18225 3849 1 11 . 1 1 60 60 HIS N N 60 118.841 118.841 118.575 0.266 18225 3850 1 11 . 1 1 60 60 HIS HA H 60 4.630 4.630 3.830 0.800 18225 3851 1 11 . 1 1 60 60 HIS C C 60 174.157 174.157 173.560 0.597 18225 3852 1 11 . 1 1 60 60 HIS CA C 60 55.340 55.340 57.369 -2.029 18225 3853 1 11 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.050 -0.946 18225 3854 1 11 . 1 1 60 60 HIS H H 60 8.507 8.507 8.374 0.133 18225 3855 1 11 . 1 1 61 61 HIS N N 61 119.636 119.636 118.598 1.038 18225 3856 1 11 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.672 -0.018 18225 3857 1 11 . 1 1 61 61 HIS C C 61 174.095 174.095 175.133 -1.038 18225 3858 1 11 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.443 -0.114 18225 3859 1 11 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.692 -1.458 18225 3860 1 11 . 1 1 61 61 HIS H H 61 8.613 8.613 7.557 1.056 18225 3861 1 11 . 1 1 62 62 HIS N N 62 120.286 120.286 120.341 -0.055 18225 3862 1 11 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.908 -0.248 18225 3863 1 11 . 1 1 62 62 HIS C C 62 173.928 173.928 173.912 0.016 18225 3864 1 11 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.473 -0.117 18225 3865 1 11 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.129 0.200 18225 3866 1 11 . 1 1 62 62 HIS H H 62 8.680 8.680 8.194 0.486 18225 3867 1 11 . 1 1 63 63 HIS N N 63 120.408 120.408 117.688 2.720 18225 3868 1 11 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.680 -0.031 18225 3869 1 11 . 1 1 63 63 HIS C C 63 173.437 173.437 174.323 -0.886 18225 3870 1 11 . 1 1 63 63 HIS CA C 63 55.564 55.564 54.861 0.703 18225 3871 1 11 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.509 0.974 18225 3872 1 11 . 1 1 63 63 HIS H H 63 8.541 8.541 7.923 0.618 18225 3873 1 12 . 1 1 2 2 GLU N N 2 123.432 123.432 119.628 3.804 18225 3874 1 12 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.092 0.317 18225 3875 1 12 . 1 1 2 2 GLU C C 2 175.510 175.510 175.457 0.053 18225 3876 1 12 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.883 -0.667 18225 3877 1 12 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.410 1.128 18225 3878 1 12 . 1 1 2 2 GLU H H 2 8.824 8.824 8.530 0.294 18225 3879 1 12 . 1 1 3 3 GLU N N 3 121.813 121.813 119.275 2.538 18225 3880 1 12 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.178 0.200 18225 3881 1 12 . 1 1 3 3 GLU C C 3 176.299 176.299 177.006 -0.707 18225 3882 1 12 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.591 -1.299 18225 3883 1 12 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.897 -0.445 18225 3884 1 12 . 1 1 3 3 GLU H H 3 8.546 8.546 8.184 0.362 18225 3885 1 12 . 1 1 4 4 GLY N N 4 109.619 109.619 112.557 -2.938 18225 3886 1 12 . 1 1 4 4 GLY C C 4 174.449 174.449 174.612 -0.163 18225 3887 1 12 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.858 0.672 18225 3888 1 12 . 1 1 4 4 GLY H H 4 8.463 8.463 8.600 -0.137 18225 3889 1 12 . 1 1 5 5 GLY N N 5 108.241 108.241 108.202 0.039 18225 3890 1 12 . 1 1 5 5 GLY C C 5 173.965 173.965 174.309 -0.344 18225 3891 1 12 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.915 -0.463 18225 3892 1 12 . 1 1 5 5 GLY H H 5 8.220 8.220 8.081 0.139 18225 3893 1 12 . 1 1 6 6 ASP N N 6 119.184 119.184 122.397 -3.213 18225 3894 1 12 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.193 0.405 18225 3895 1 12 . 1 1 6 6 ASP C C 6 175.801 175.801 174.878 0.923 18225 3896 1 12 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.244 -1.332 18225 3897 1 12 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.199 -0.864 18225 3898 1 12 . 1 1 6 6 ASP H H 6 8.329 8.329 8.710 -0.381 18225 3899 1 12 . 1 1 7 7 PHE N N 7 119.589 119.589 116.691 2.898 18225 3900 1 12 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.689 -0.209 18225 3901 1 12 . 1 1 7 7 PHE C C 7 175.881 175.881 174.946 0.935 18225 3902 1 12 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.732 0.089 18225 3903 1 12 . 1 1 7 7 PHE CB C 7 39.082 39.082 41.511 -2.429 18225 3904 1 12 . 1 1 7 7 PHE H H 7 8.342 8.342 7.631 0.711 18225 3905 1 12 . 1 1 8 8 ASP N N 8 118.430 118.430 119.217 -0.787 18225 3906 1 12 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.807 -0.351 18225 3907 1 12 . 1 1 8 8 ASP C C 8 175.642 175.642 173.960 1.682 18225 3908 1 12 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.489 0.114 18225 3909 1 12 . 1 1 8 8 ASP CB C 8 38.584 38.584 43.694 -5.110 18225 3910 1 12 . 1 1 8 8 ASP H H 8 8.223 8.223 7.697 0.526 18225 3911 1 12 . 1 1 9 9 ASN N N 9 117.097 117.097 118.238 -1.141 18225 3912 1 12 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.220 0.339 18225 3913 1 12 . 1 1 9 9 ASN C C 9 175.264 175.264 175.790 -0.526 18225 3914 1 12 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.559 1.285 18225 3915 1 12 . 1 1 9 9 ASN CB C 9 38.715 38.715 40.402 -1.687 18225 3916 1 12 . 1 1 9 9 ASN H H 9 8.069 8.069 8.471 -0.402 18225 3917 1 12 . 1 1 10 10 TYR N N 10 119.007 119.007 117.669 1.338 18225 3918 1 12 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.193 0.156 18225 3919 1 12 . 1 1 10 10 TYR C C 10 175.387 175.387 175.984 -0.597 18225 3920 1 12 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.362 -1.168 18225 3921 1 12 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.448 2.380 18225 3922 1 12 . 1 1 10 10 TYR H H 10 7.901 7.901 8.020 -0.119 18225 3923 1 12 . 1 1 11 11 TYR N N 11 117.992 117.992 120.681 -2.689 18225 3924 1 12 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.255 0.188 18225 3925 1 12 . 1 1 11 11 TYR C C 11 175.765 175.765 175.672 0.093 18225 3926 1 12 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.255 0.117 18225 3927 1 12 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.368 0.426 18225 3928 1 12 . 1 1 11 11 TYR H H 11 7.885 7.885 7.990 -0.105 18225 3929 1 12 . 1 1 12 12 GLY N N 12 108.601 108.601 110.080 -1.479 18225 3930 1 12 . 1 1 12 12 GLY C C 12 173.934 173.934 174.386 -0.452 18225 3931 1 12 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.614 -0.125 18225 3932 1 12 . 1 1 12 12 GLY H H 12 7.861 7.861 8.385 -0.524 18225 3933 1 12 . 1 1 13 13 ALA N N 13 122.926 122.926 121.159 1.767 18225 3934 1 12 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.175 0.104 18225 3935 1 12 . 1 1 13 13 ALA C C 13 177.457 177.457 178.447 -0.990 18225 3936 1 12 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.503 0.279 18225 3937 1 12 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.729 -0.282 18225 3938 1 12 . 1 1 13 13 ALA H H 13 7.985 7.985 8.168 -0.183 18225 3939 1 12 . 1 1 14 14 ASP N N 14 117.380 117.380 119.020 -1.640 18225 3940 1 12 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.256 0.384 18225 3941 1 12 . 1 1 14 14 ASP C C 14 175.428 175.428 177.722 -2.294 18225 3942 1 12 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.514 -2.842 18225 3943 1 12 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.146 -0.781 18225 3944 1 12 . 1 1 14 14 ASP H H 14 8.330 8.330 8.687 -0.357 18225 3945 1 12 . 1 1 15 15 ASN N N 15 118.465 118.465 115.713 2.752 18225 3946 1 12 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.461 0.178 18225 3947 1 12 . 1 1 15 15 ASN C C 15 175.467 175.467 176.286 -0.819 18225 3948 1 12 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.594 -1.937 18225 3949 1 12 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.504 0.464 18225 3950 1 12 . 1 1 15 15 ASN H H 15 8.207 8.207 8.341 -0.134 18225 3951 1 12 . 1 1 16 16 GLN N N 16 119.741 119.741 117.316 2.425 18225 3952 1 12 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.487 -0.172 18225 3953 1 12 . 1 1 16 16 GLN C C 16 176.350 176.350 175.041 1.309 18225 3954 1 12 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.224 1.416 18225 3955 1 12 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.671 0.425 18225 3956 1 12 . 1 1 16 16 GLN H H 16 8.292 8.292 7.893 0.399 18225 3957 1 12 . 1 1 17 17 SER N N 17 115.772 115.772 116.611 -0.839 18225 3958 1 12 . 1 1 17 17 SER HA H 17 4.390 4.390 4.618 -0.228 18225 3959 1 12 . 1 1 17 17 SER C C 17 174.799 174.799 174.158 0.641 18225 3960 1 12 . 1 1 17 17 SER CA C 17 59.165 59.165 56.554 2.611 18225 3961 1 12 . 1 1 17 17 SER CB C 17 63.651 63.651 64.968 -1.317 18225 3962 1 12 . 1 1 17 17 SER H H 17 8.224 8.224 8.125 0.099 18225 3963 1 12 . 1 1 18 18 GLU N N 18 121.211 121.211 121.136 0.075 18225 3964 1 12 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.254 0.064 18225 3965 1 12 . 1 1 18 18 GLU C C 18 176.201 176.201 175.650 0.551 18225 3966 1 12 . 1 1 18 18 GLU CA C 18 56.725 56.725 58.067 -1.342 18225 3967 1 12 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.329 0.636 18225 3968 1 12 . 1 1 18 18 GLU H H 18 8.285 8.285 8.734 -0.449 18225 3969 1 12 . 1 1 19 19 CYS N N 19 118.653 118.653 122.732 -4.079 18225 3970 1 12 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.623 -0.200 18225 3971 1 12 . 1 1 19 19 CYS C C 19 174.698 174.698 174.816 -0.118 18225 3972 1 12 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.406 -0.331 18225 3973 1 12 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.353 -1.503 18225 3974 1 12 . 1 1 19 19 CYS H H 19 8.202 8.202 8.900 -0.698 18225 3975 1 12 . 1 1 20 20 GLU N N 20 121.851 121.851 117.862 3.989 18225 3976 1 12 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.547 -0.282 18225 3977 1 12 . 1 1 20 20 GLU C C 20 176.100 176.100 176.523 -0.423 18225 3978 1 12 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.315 0.507 18225 3979 1 12 . 1 1 20 20 GLU CB C 20 28.976 28.976 31.625 -2.649 18225 3980 1 12 . 1 1 20 20 GLU H H 20 8.349 8.349 8.544 -0.195 18225 3981 1 12 . 1 1 21 21 TYR N N 21 118.491 118.491 119.151 -0.660 18225 3982 1 12 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.963 -0.545 18225 3983 1 12 . 1 1 21 21 TYR C C 21 175.881 175.881 175.239 0.642 18225 3984 1 12 . 1 1 21 21 TYR CA C 21 58.731 58.731 60.358 -1.627 18225 3985 1 12 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.913 -0.288 18225 3986 1 12 . 1 1 21 21 TYR H H 21 7.974 7.974 8.165 -0.191 18225 3987 1 12 . 1 1 22 22 THR N N 22 112.161 112.161 107.757 4.404 18225 3988 1 12 . 1 1 22 22 THR HA H 22 4.105 4.105 4.000 0.105 18225 3989 1 12 . 1 1 22 22 THR C C 22 174.666 174.666 174.715 -0.049 18225 3990 1 12 . 1 1 22 22 THR CA C 22 63.190 63.190 62.105 1.085 18225 3991 1 12 . 1 1 22 22 THR CB C 22 69.306 69.306 69.303 0.003 18225 3992 1 12 . 1 1 22 22 THR H H 22 7.747 7.747 7.656 0.091 18225 3993 1 12 . 1 1 23 23 ASP N N 23 120.529 120.529 122.161 -1.632 18225 3994 1 12 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.410 0.244 18225 3995 1 12 . 1 1 23 23 ASP C C 23 176.119 176.119 177.405 -1.286 18225 3996 1 12 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.961 -3.058 18225 3997 1 12 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.811 -1.673 18225 3998 1 12 . 1 1 23 23 ASP H H 23 8.114 8.114 8.471 -0.357 18225 3999 1 12 . 1 1 24 24 TRP N N 24 121.466 121.466 116.314 5.152 18225 4000 1 12 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.672 -0.196 18225 4001 1 12 . 1 1 24 24 TRP C C 24 176.578 176.578 175.619 0.959 18225 4002 1 12 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.959 1.352 18225 4003 1 12 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.780 -0.594 18225 4004 1 12 . 1 1 24 24 TRP H H 24 8.034 8.034 7.655 0.379 18225 4005 1 12 . 1 1 25 25 LYS N N 25 119.430 119.430 120.299 -0.869 18225 4006 1 12 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.770 1.275 18225 4007 1 12 . 1 1 25 25 LYS C C 25 176.798 176.798 174.261 2.537 18225 4008 1 12 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.614 1.147 18225 4009 1 12 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.873 0.536 18225 4010 1 12 . 1 1 25 25 LYS H H 25 7.880 7.880 6.183 1.697 18225 4011 1 12 . 1 1 26 26 SER N N 26 113.780 113.780 117.836 -4.056 18225 4012 1 12 . 1 1 26 26 SER HA H 26 4.461 4.461 4.630 -0.169 18225 4013 1 12 . 1 1 26 26 SER C C 26 174.957 174.957 174.484 0.473 18225 4014 1 12 . 1 1 26 26 SER CA C 26 58.760 58.760 57.741 1.019 18225 4015 1 12 . 1 1 26 26 SER CB C 26 63.889 63.889 65.308 -1.419 18225 4016 1 12 . 1 1 26 26 SER H H 26 7.893 7.893 7.385 0.508 18225 4017 1 12 . 1 1 27 27 SER N N 27 116.730 116.730 120.059 -3.329 18225 4018 1 12 . 1 1 27 27 SER HA H 27 4.328 4.328 4.635 -0.307 18225 4019 1 12 . 1 1 27 27 SER C C 27 175.563 175.563 174.997 0.566 18225 4020 1 12 . 1 1 27 27 SER CA C 27 59.856 59.856 59.105 0.751 18225 4021 1 12 . 1 1 27 27 SER CB C 27 63.819 63.819 63.495 0.324 18225 4022 1 12 . 1 1 27 27 SER H H 27 8.137 8.137 8.904 -0.767 18225 4023 1 12 . 1 1 28 28 GLY N N 28 110.734 110.734 108.053 2.681 18225 4024 1 12 . 1 1 28 28 GLY C C 28 174.314 174.314 173.784 0.530 18225 4025 1 12 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.419 0.707 18225 4026 1 12 . 1 1 28 28 GLY H H 28 8.477 8.477 8.025 0.452 18225 4027 1 12 . 1 1 29 29 ALA N N 29 121.690 121.690 121.347 0.343 18225 4028 1 12 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.240 0.049 18225 4029 1 12 . 1 1 29 29 ALA C C 29 177.330 177.330 177.664 -0.334 18225 4030 1 12 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.949 -0.775 18225 4031 1 12 . 1 1 29 29 ALA CB C 29 19.884 19.884 16.589 3.295 18225 4032 1 12 . 1 1 29 29 ALA H H 29 8.189 8.189 8.688 -0.499 18225 4033 1 12 . 1 1 30 30 LEU N N 30 117.292 117.292 113.438 3.854 18225 4034 1 12 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.585 -0.506 18225 4035 1 12 . 1 1 30 30 LEU C C 30 177.377 177.377 176.890 0.487 18225 4036 1 12 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.685 3.549 18225 4037 1 12 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.160 0.255 18225 4038 1 12 . 1 1 30 30 LEU H H 30 7.873 7.873 8.073 -0.200 18225 4039 1 12 . 1 1 31 31 ILE N N 31 116.517 116.517 120.817 -4.300 18225 4040 1 12 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.216 -0.333 18225 4041 1 12 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.171 1.095 18225 4042 1 12 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.269 -0.513 18225 4043 1 12 . 1 1 31 31 ILE H H 31 8.262 8.262 8.289 -0.027 18225 4044 1 12 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.316 -0.104 18225 4045 1 12 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.255 0.738 18225 4046 1 12 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.618 0.374 18225 4047 1 12 . 1 1 33 33 ALA N N 33 118.208 118.208 120.184 -1.976 18225 4048 1 12 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.442 -0.376 18225 4049 1 12 . 1 1 33 33 ALA C C 33 178.814 178.814 178.807 0.007 18225 4050 1 12 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.319 2.370 18225 4051 1 12 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.651 -1.272 18225 4052 1 12 . 1 1 33 33 ALA H H 33 7.613 7.613 7.241 0.372 18225 4053 1 12 . 1 1 34 34 ILE N N 34 117.730 117.730 119.742 -2.012 18225 4054 1 12 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.651 0.014 18225 4055 1 12 . 1 1 34 34 ILE C C 34 177.826 177.826 177.937 -0.111 18225 4056 1 12 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.262 -0.108 18225 4057 1 12 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.900 -0.617 18225 4058 1 12 . 1 1 34 34 ILE H H 34 8.259 8.259 7.531 0.728 18225 4059 1 12 . 1 1 35 35 TYR N N 35 118.693 118.693 120.125 -1.432 18225 4060 1 12 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.200 -0.107 18225 4061 1 12 . 1 1 35 35 TYR C C 35 177.885 177.885 177.600 0.285 18225 4062 1 12 . 1 1 35 35 TYR CA C 35 61.638 61.638 62.088 -0.450 18225 4063 1 12 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.242 -1.318 18225 4064 1 12 . 1 1 35 35 TYR H H 35 8.347 8.347 8.118 0.229 18225 4065 1 12 . 1 1 36 36 MET N N 36 117.356 117.356 118.743 -1.387 18225 4066 1 12 . 1 1 36 36 MET HA H 36 4.220 4.220 4.241 -0.021 18225 4067 1 12 . 1 1 36 36 MET C C 36 177.903 177.903 178.103 -0.200 18225 4068 1 12 . 1 1 36 36 MET CA C 36 58.653 58.653 58.607 0.046 18225 4069 1 12 . 1 1 36 36 MET CB C 36 32.172 32.172 32.102 0.070 18225 4070 1 12 . 1 1 36 36 MET H H 36 8.252 8.252 8.065 0.187 18225 4071 1 12 . 1 1 37 37 LEU N N 37 119.978 119.978 120.182 -0.204 18225 4072 1 12 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.054 -0.026 18225 4073 1 12 . 1 1 37 37 LEU C C 37 178.393 178.393 178.908 -0.515 18225 4074 1 12 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.684 0.958 18225 4075 1 12 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.826 0.163 18225 4076 1 12 . 1 1 37 37 LEU H H 37 8.301 8.301 8.138 0.163 18225 4077 1 12 . 1 1 38 38 VAL N N 38 117.991 117.991 119.818 -1.827 18225 4078 1 12 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.507 -0.005 18225 4079 1 12 . 1 1 38 38 VAL C C 38 177.962 177.962 177.988 -0.026 18225 4080 1 12 . 1 1 38 38 VAL CA C 38 67.155 67.155 66.380 0.775 18225 4081 1 12 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.483 -0.068 18225 4082 1 12 . 1 1 38 38 VAL H H 38 8.414 8.414 8.187 0.227 18225 4083 1 12 . 1 1 39 39 PHE N N 39 119.830 119.830 119.233 0.597 18225 4084 1 12 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.225 -0.047 18225 4085 1 12 . 1 1 39 39 PHE C C 39 178.233 178.233 175.396 2.837 18225 4086 1 12 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.654 0.849 18225 4087 1 12 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.210 -0.152 18225 4088 1 12 . 1 1 39 39 PHE H H 39 8.337 8.337 7.539 0.798 18225 4089 1 12 . 1 1 40 40 LEU N N 40 119.985 119.985 117.086 2.899 18225 4090 1 12 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.015 -0.049 18225 4091 1 12 . 1 1 40 40 LEU C C 40 179.279 179.279 177.880 1.399 18225 4092 1 12 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.593 2.279 18225 4093 1 12 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.982 -0.595 18225 4094 1 12 . 1 1 40 40 LEU H H 40 8.603 8.603 7.572 1.031 18225 4095 1 12 . 1 1 41 41 LEU N N 41 118.649 118.649 118.321 0.328 18225 4096 1 12 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.400 -0.356 18225 4097 1 12 . 1 1 41 41 LEU C C 41 178.670 178.670 178.717 -0.047 18225 4098 1 12 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.985 2.698 18225 4099 1 12 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.212 0.719 18225 4100 1 12 . 1 1 41 41 LEU H H 41 8.486 8.486 8.438 0.048 18225 4101 1 12 . 1 1 42 42 GLY N N 42 105.262 105.262 108.455 -3.193 18225 4102 1 12 . 1 1 42 42 GLY C C 42 174.814 174.814 175.195 -0.381 18225 4103 1 12 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.223 -0.818 18225 4104 1 12 . 1 1 42 42 GLY H H 42 8.289 8.289 8.215 0.074 18225 4105 1 12 . 1 1 43 43 THR N N 43 111.955 111.955 111.476 0.479 18225 4106 1 12 . 1 1 43 43 THR HA H 43 4.243 4.243 4.399 -0.156 18225 4107 1 12 . 1 1 43 43 THR C C 43 175.888 175.888 175.947 -0.059 18225 4108 1 12 . 1 1 43 43 THR CA C 43 63.505 63.505 63.156 0.349 18225 4109 1 12 . 1 1 43 43 THR CB C 43 69.598 69.598 68.967 0.631 18225 4110 1 12 . 1 1 43 43 THR H H 43 7.891 7.891 7.815 0.076 18225 4111 1 12 . 1 1 44 44 THR N N 44 111.997 111.997 118.508 -6.511 18225 4112 1 12 . 1 1 44 44 THR HA H 44 4.320 4.320 4.100 0.220 18225 4113 1 12 . 1 1 44 44 THR C C 44 175.543 175.543 175.991 -0.448 18225 4114 1 12 . 1 1 44 44 THR CA C 44 63.009 63.009 65.808 -2.799 18225 4115 1 12 . 1 1 44 44 THR CB C 44 69.881 69.881 68.563 1.318 18225 4116 1 12 . 1 1 44 44 THR H H 44 7.740 7.740 8.224 -0.484 18225 4117 1 12 . 1 1 45 45 GLY N N 45 109.564 109.564 108.049 1.515 18225 4118 1 12 . 1 1 45 45 GLY C C 45 174.928 174.928 173.293 1.635 18225 4119 1 12 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.743 1.677 18225 4120 1 12 . 1 1 45 45 GLY H H 45 8.243 8.243 7.967 0.276 18225 4121 1 12 . 1 1 46 46 ASN N N 46 117.851 117.851 117.426 0.425 18225 4122 1 12 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.696 0.021 18225 4123 1 12 . 1 1 46 46 ASN C C 46 176.127 176.127 174.824 1.303 18225 4124 1 12 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.010 1.604 18225 4125 1 12 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.806 -0.495 18225 4126 1 12 . 1 1 46 46 ASN H H 46 8.170 8.170 7.649 0.521 18225 4127 1 12 . 1 1 47 47 GLY N N 47 108.287 108.287 110.763 -2.476 18225 4128 1 12 . 1 1 47 47 GLY C C 47 174.612 174.612 173.464 1.148 18225 4129 1 12 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.225 2.016 18225 4130 1 12 . 1 1 47 47 GLY H H 47 8.663 8.663 8.642 0.021 18225 4131 1 12 . 1 1 48 48 LEU N N 48 120.479 120.479 119.335 1.144 18225 4132 1 12 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.920 -0.652 18225 4133 1 12 . 1 1 48 48 LEU C C 48 179.407 179.407 177.258 2.149 18225 4134 1 12 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.396 2.196 18225 4135 1 12 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.267 -1.529 18225 4136 1 12 . 1 1 48 48 LEU H H 48 8.149 8.149 7.639 0.510 18225 4137 1 12 . 1 1 49 49 VAL N N 49 119.968 119.968 121.357 -1.389 18225 4138 1 12 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.064 -0.248 18225 4139 1 12 . 1 1 49 49 VAL C C 49 177.444 177.444 176.176 1.268 18225 4140 1 12 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.541 1.401 18225 4141 1 12 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.671 0.007 18225 4142 1 12 . 1 1 49 49 VAL H H 49 7.969 7.969 7.890 0.079 18225 4143 1 12 . 1 1 50 50 LEU N N 50 119.329 119.329 113.793 5.536 18225 4144 1 12 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.738 -0.726 18225 4145 1 12 . 1 1 50 50 LEU C C 50 178.085 178.085 176.049 2.036 18225 4146 1 12 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.324 2.593 18225 4147 1 12 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.127 -0.421 18225 4148 1 12 . 1 1 50 50 LEU H H 50 7.814 7.814 7.705 0.109 18225 4149 1 12 . 1 1 51 51 TRP N N 51 118.186 118.186 122.764 -4.578 18225 4150 1 12 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.816 -0.327 18225 4151 1 12 . 1 1 51 51 TRP C C 51 177.377 177.377 177.394 -0.017 18225 4152 1 12 . 1 1 51 51 TRP CA C 51 60.058 60.058 58.579 1.479 18225 4153 1 12 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.019 -0.238 18225 4154 1 12 . 1 1 51 51 TRP H H 51 8.125 8.125 7.658 0.467 18225 4155 1 12 . 1 1 52 52 THR N N 52 113.180 113.180 115.966 -2.786 18225 4156 1 12 . 1 1 52 52 THR HA H 52 3.787 3.787 3.248 0.539 18225 4157 1 12 . 1 1 52 52 THR C C 52 176.309 176.309 176.395 -0.086 18225 4158 1 12 . 1 1 52 52 THR CA C 52 66.473 66.473 64.531 1.942 18225 4159 1 12 . 1 1 52 52 THR CB C 52 68.865 68.865 67.612 1.253 18225 4160 1 12 . 1 1 52 52 THR H H 52 8.079 8.079 7.700 0.379 18225 4161 1 12 . 1 1 53 53 VAL N N 53 119.953 119.953 121.188 -1.235 18225 4162 1 12 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.671 -0.024 18225 4163 1 12 . 1 1 53 53 VAL C C 53 177.252 177.252 177.068 0.184 18225 4164 1 12 . 1 1 53 53 VAL CA C 53 66.086 66.086 66.150 -0.064 18225 4165 1 12 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.332 0.372 18225 4166 1 12 . 1 1 53 53 VAL H H 53 7.913 7.913 7.778 0.135 18225 4167 1 12 . 1 1 54 54 PHE N N 54 118.204 118.204 119.676 -1.472 18225 4168 1 12 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.033 0.214 18225 4169 1 12 . 1 1 54 54 PHE C C 54 177.144 177.144 177.751 -0.607 18225 4170 1 12 . 1 1 54 54 PHE CA C 54 60.454 60.454 62.068 -1.614 18225 4171 1 12 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.086 0.031 18225 4172 1 12 . 1 1 54 54 PHE H H 54 8.030 8.030 7.680 0.350 18225 4173 1 12 . 1 1 55 55 ARG N N 55 117.725 117.725 117.337 0.388 18225 4174 1 12 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.091 -0.207 18225 4175 1 12 . 1 1 55 55 ARG C C 55 177.443 177.443 178.062 -0.619 18225 4176 1 12 . 1 1 55 55 ARG CA C 55 57.554 57.554 58.615 -1.062 18225 4177 1 12 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.990 -0.183 18225 4178 1 12 . 1 1 55 55 ARG H H 55 8.034 8.034 7.774 0.260 18225 4179 1 12 . 1 1 56 56 LYS N N 56 118.622 118.622 120.325 -1.703 18225 4180 1 12 . 1 1 56 56 LYS HA H 56 4.164 4.164 3.942 0.222 18225 4181 1 12 . 1 1 56 56 LYS C C 56 177.418 177.418 178.590 -1.172 18225 4182 1 12 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.921 -1.404 18225 4183 1 12 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.223 0.585 18225 4184 1 12 . 1 1 56 56 LYS H H 56 7.804 7.804 7.864 -0.060 18225 4185 1 12 . 1 1 57 57 LYS N N 57 118.937 118.937 117.970 0.967 18225 4186 1 12 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.981 0.277 18225 4187 1 12 . 1 1 57 57 LYS C C 57 177.029 177.029 178.159 -1.130 18225 4188 1 12 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.738 -2.128 18225 4189 1 12 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.469 0.409 18225 4190 1 12 . 1 1 57 57 LYS H H 57 7.974 7.974 8.020 -0.046 18225 4191 1 12 . 1 1 58 58 GLY N N 58 107.785 107.785 107.316 0.469 18225 4192 1 12 . 1 1 58 58 GLY C C 58 173.543 173.543 174.408 -0.865 18225 4193 1 12 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.469 -0.996 18225 4194 1 12 . 1 1 58 58 GLY H H 58 8.136 8.136 7.955 0.181 18225 4195 1 12 . 1 1 59 59 HIS N N 59 117.024 117.024 117.623 -0.599 18225 4196 1 12 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.764 -0.142 18225 4197 1 12 . 1 1 59 59 HIS C C 59 174.183 174.183 173.581 0.602 18225 4198 1 12 . 1 1 59 59 HIS CA C 59 55.281 55.281 53.810 1.471 18225 4199 1 12 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.658 -1.577 18225 4200 1 12 . 1 1 59 59 HIS H H 59 8.163 8.163 8.608 -0.445 18225 4201 1 12 . 1 1 60 60 HIS N N 60 118.841 118.841 119.922 -1.081 18225 4202 1 12 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.175 0.455 18225 4203 1 12 . 1 1 60 60 HIS C C 60 174.157 174.157 175.393 -1.236 18225 4204 1 12 . 1 1 60 60 HIS CA C 60 55.340 55.340 57.377 -2.037 18225 4205 1 12 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.657 -0.552 18225 4206 1 12 . 1 1 60 60 HIS H H 60 8.507 8.507 8.376 0.131 18225 4207 1 12 . 1 1 61 61 HIS N N 61 119.636 119.636 126.672 -7.036 18225 4208 1 12 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.085 0.569 18225 4209 1 12 . 1 1 61 61 HIS C C 61 174.095 174.095 175.960 -1.865 18225 4210 1 12 . 1 1 61 61 HIS CA C 61 55.329 55.329 58.581 -3.252 18225 4211 1 12 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.280 -1.046 18225 4212 1 12 . 1 1 61 61 HIS H H 61 8.613 8.613 8.549 0.064 18225 4213 1 12 . 1 1 62 62 HIS N N 62 120.286 120.286 117.270 3.016 18225 4214 1 12 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.123 0.537 18225 4215 1 12 . 1 1 62 62 HIS C C 62 173.928 173.928 174.053 -0.125 18225 4216 1 12 . 1 1 62 62 HIS CA C 62 55.356 55.356 57.363 -2.007 18225 4217 1 12 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.476 -0.147 18225 4218 1 12 . 1 1 62 62 HIS H H 62 8.680 8.680 8.154 0.526 18225 4219 1 12 . 1 1 63 63 HIS N N 63 120.408 120.408 113.196 7.212 18225 4220 1 12 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.531 0.118 18225 4221 1 12 . 1 1 63 63 HIS C C 63 173.437 173.437 174.038 -0.601 18225 4222 1 12 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.421 0.143 18225 4223 1 12 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.447 0.036 18225 4224 1 12 . 1 1 63 63 HIS H H 63 8.541 8.541 8.290 0.251 18225 4225 1 13 . 1 1 2 2 GLU N N 2 123.432 123.432 120.614 2.818 18225 4226 1 13 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.046 0.363 18225 4227 1 13 . 1 1 2 2 GLU C C 2 175.510 175.510 175.574 -0.064 18225 4228 1 13 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.617 -0.401 18225 4229 1 13 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.985 0.553 18225 4230 1 13 . 1 1 2 2 GLU H H 2 8.824 8.824 8.571 0.253 18225 4231 1 13 . 1 1 3 3 GLU N N 3 121.813 121.813 117.927 3.886 18225 4232 1 13 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.136 0.242 18225 4233 1 13 . 1 1 3 3 GLU C C 3 176.299 176.299 177.145 -0.846 18225 4234 1 13 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.409 -1.117 18225 4235 1 13 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.202 -0.750 18225 4236 1 13 . 1 1 3 3 GLU H H 3 8.546 8.546 8.279 0.267 18225 4237 1 13 . 1 1 4 4 GLY N N 4 109.619 109.619 111.718 -2.099 18225 4238 1 13 . 1 1 4 4 GLY C C 4 174.449 174.449 173.510 0.939 18225 4239 1 13 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.509 0.021 18225 4240 1 13 . 1 1 4 4 GLY H H 4 8.463 8.463 8.652 -0.189 18225 4241 1 13 . 1 1 5 5 GLY N N 5 108.241 108.241 108.313 -0.072 18225 4242 1 13 . 1 1 5 5 GLY C C 5 173.965 173.965 172.140 1.825 18225 4243 1 13 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.169 0.283 18225 4244 1 13 . 1 1 5 5 GLY H H 5 8.220 8.220 7.722 0.498 18225 4245 1 13 . 1 1 6 6 ASP N N 6 119.184 119.184 121.449 -2.265 18225 4246 1 13 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.418 0.180 18225 4247 1 13 . 1 1 6 6 ASP C C 6 175.801 175.801 174.768 1.033 18225 4248 1 13 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.186 -1.274 18225 4249 1 13 . 1 1 6 6 ASP CB C 6 39.335 39.335 39.601 -0.266 18225 4250 1 13 . 1 1 6 6 ASP H H 6 8.329 8.329 8.328 0.001 18225 4251 1 13 . 1 1 7 7 PHE N N 7 119.589 119.589 120.004 -0.415 18225 4252 1 13 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.641 -0.161 18225 4253 1 13 . 1 1 7 7 PHE C C 7 175.881 175.881 174.944 0.937 18225 4254 1 13 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.868 0.953 18225 4255 1 13 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.008 -0.926 18225 4256 1 13 . 1 1 7 7 PHE H H 7 8.342 8.342 7.993 0.349 18225 4257 1 13 . 1 1 8 8 ASP N N 8 118.430 118.430 122.052 -3.622 18225 4258 1 13 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.370 0.086 18225 4259 1 13 . 1 1 8 8 ASP C C 8 175.642 175.642 174.680 0.962 18225 4260 1 13 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.048 -0.445 18225 4261 1 13 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.138 -1.554 18225 4262 1 13 . 1 1 8 8 ASP H H 8 8.223 8.223 8.541 -0.318 18225 4263 1 13 . 1 1 9 9 ASN N N 9 117.097 117.097 114.559 2.538 18225 4264 1 13 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.464 0.095 18225 4265 1 13 . 1 1 9 9 ASN C C 9 175.264 175.264 175.533 -0.269 18225 4266 1 13 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.081 1.763 18225 4267 1 13 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.823 -0.108 18225 4268 1 13 . 1 1 9 9 ASN H H 9 8.069 8.069 8.110 -0.041 18225 4269 1 13 . 1 1 10 10 TYR N N 10 119.007 119.007 117.588 1.419 18225 4270 1 13 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.969 0.380 18225 4271 1 13 . 1 1 10 10 TYR C C 10 175.387 175.387 176.952 -1.565 18225 4272 1 13 . 1 1 10 10 TYR CA C 10 59.194 59.194 61.142 -1.948 18225 4273 1 13 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.498 2.330 18225 4274 1 13 . 1 1 10 10 TYR H H 10 7.901 7.901 7.946 -0.045 18225 4275 1 13 . 1 1 11 11 TYR N N 11 117.992 117.992 117.883 0.109 18225 4276 1 13 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.146 0.297 18225 4277 1 13 . 1 1 11 11 TYR C C 11 175.765 175.765 177.634 -1.869 18225 4278 1 13 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.585 -2.213 18225 4279 1 13 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.285 1.509 18225 4280 1 13 . 1 1 11 11 TYR H H 11 7.885 7.885 9.115 -1.230 18225 4281 1 13 . 1 1 12 12 GLY N N 12 108.601 108.601 108.794 -0.193 18225 4282 1 13 . 1 1 12 12 GLY C C 12 173.934 173.934 173.597 0.337 18225 4283 1 13 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.263 0.226 18225 4284 1 13 . 1 1 12 12 GLY H H 12 7.861 7.861 8.575 -0.714 18225 4285 1 13 . 1 1 13 13 ALA N N 13 122.926 122.926 124.192 -1.266 18225 4286 1 13 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.294 -0.015 18225 4287 1 13 . 1 1 13 13 ALA C C 13 177.457 177.457 178.769 -1.312 18225 4288 1 13 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.657 0.125 18225 4289 1 13 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.820 -0.373 18225 4290 1 13 . 1 1 13 13 ALA H H 13 7.985 7.985 7.898 0.087 18225 4291 1 13 . 1 1 14 14 ASP N N 14 117.380 117.380 119.159 -1.779 18225 4292 1 13 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.351 0.289 18225 4293 1 13 . 1 1 14 14 ASP C C 14 175.428 175.428 178.089 -2.661 18225 4294 1 13 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.842 -3.170 18225 4295 1 13 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.900 -0.535 18225 4296 1 13 . 1 1 14 14 ASP H H 14 8.330 8.330 8.651 -0.321 18225 4297 1 13 . 1 1 15 15 ASN N N 15 118.465 118.465 117.126 1.339 18225 4298 1 13 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.487 0.152 18225 4299 1 13 . 1 1 15 15 ASN C C 15 175.467 175.467 175.720 -0.253 18225 4300 1 13 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.543 -1.886 18225 4301 1 13 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.867 0.101 18225 4302 1 13 . 1 1 15 15 ASN H H 15 8.207 8.207 8.071 0.136 18225 4303 1 13 . 1 1 16 16 GLN N N 16 119.741 119.741 117.218 2.523 18225 4304 1 13 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.518 -0.203 18225 4305 1 13 . 1 1 16 16 GLN C C 16 176.350 176.350 175.035 1.315 18225 4306 1 13 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.428 1.212 18225 4307 1 13 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.711 0.385 18225 4308 1 13 . 1 1 16 16 GLN H H 16 8.292 8.292 7.837 0.455 18225 4309 1 13 . 1 1 17 17 SER N N 17 115.772 115.772 115.497 0.275 18225 4310 1 13 . 1 1 17 17 SER HA H 17 4.390 4.390 4.668 -0.278 18225 4311 1 13 . 1 1 17 17 SER C C 17 174.799 174.799 172.974 1.825 18225 4312 1 13 . 1 1 17 17 SER CA C 17 59.165 59.165 56.721 2.444 18225 4313 1 13 . 1 1 17 17 SER CB C 17 63.651 63.651 65.021 -1.370 18225 4314 1 13 . 1 1 17 17 SER H H 17 8.224 8.224 7.695 0.529 18225 4315 1 13 . 1 1 18 18 GLU N N 18 121.211 121.211 122.737 -1.526 18225 4316 1 13 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.162 0.156 18225 4317 1 13 . 1 1 18 18 GLU C C 18 176.201 176.201 175.730 0.471 18225 4318 1 13 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.445 -0.720 18225 4319 1 13 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.844 0.121 18225 4320 1 13 . 1 1 18 18 GLU H H 18 8.285 8.285 8.749 -0.464 18225 4321 1 13 . 1 1 19 19 CYS N N 19 118.653 118.653 123.457 -4.804 18225 4322 1 13 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.549 -0.126 18225 4323 1 13 . 1 1 19 19 CYS C C 19 174.698 174.698 174.573 0.125 18225 4324 1 13 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.539 -0.464 18225 4325 1 13 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.361 -1.511 18225 4326 1 13 . 1 1 19 19 CYS H H 19 8.202 8.202 8.418 -0.216 18225 4327 1 13 . 1 1 20 20 GLU N N 20 121.851 121.851 117.506 4.345 18225 4328 1 13 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.168 0.097 18225 4329 1 13 . 1 1 20 20 GLU C C 20 176.100 176.100 174.728 1.372 18225 4330 1 13 . 1 1 20 20 GLU CA C 20 56.822 56.822 55.839 0.983 18225 4331 1 13 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.182 -0.206 18225 4332 1 13 . 1 1 20 20 GLU H H 20 8.349 8.349 8.259 0.090 18225 4333 1 13 . 1 1 21 21 TYR N N 21 118.491 118.491 118.755 -0.264 18225 4334 1 13 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.049 -0.631 18225 4335 1 13 . 1 1 21 21 TYR C C 21 175.881 175.881 176.261 -0.380 18225 4336 1 13 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.776 -0.045 18225 4337 1 13 . 1 1 21 21 TYR CB C 21 38.626 38.626 40.010 -1.384 18225 4338 1 13 . 1 1 21 21 TYR H H 21 7.974 7.974 8.306 -0.332 18225 4339 1 13 . 1 1 22 22 THR N N 22 112.161 112.161 113.320 -1.159 18225 4340 1 13 . 1 1 22 22 THR HA H 22 4.105 4.105 4.318 -0.213 18225 4341 1 13 . 1 1 22 22 THR C C 22 174.666 174.666 173.849 0.817 18225 4342 1 13 . 1 1 22 22 THR CA C 22 63.190 63.190 63.333 -0.143 18225 4343 1 13 . 1 1 22 22 THR CB C 22 69.306 69.306 69.153 0.153 18225 4344 1 13 . 1 1 22 22 THR H H 22 7.747 7.747 8.176 -0.429 18225 4345 1 13 . 1 1 23 23 ASP N N 23 120.529 120.529 123.983 -3.454 18225 4346 1 13 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.761 -0.107 18225 4347 1 13 . 1 1 23 23 ASP C C 23 176.119 176.119 176.501 -0.382 18225 4348 1 13 . 1 1 23 23 ASP CA C 23 53.903 53.903 52.961 0.942 18225 4349 1 13 . 1 1 23 23 ASP CB C 23 39.138 39.138 38.505 0.632 18225 4350 1 13 . 1 1 23 23 ASP H H 23 8.114 8.114 8.845 -0.731 18225 4351 1 13 . 1 1 24 24 TRP N N 24 121.466 121.466 119.005 2.461 18225 4352 1 13 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.650 -0.174 18225 4353 1 13 . 1 1 24 24 TRP C C 24 176.578 176.578 175.092 1.486 18225 4354 1 13 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.823 0.488 18225 4355 1 13 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.209 -0.023 18225 4356 1 13 . 1 1 24 24 TRP H H 24 8.034 8.034 7.590 0.444 18225 4357 1 13 . 1 1 25 25 LYS N N 25 119.430 119.430 118.202 1.228 18225 4358 1 13 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.782 1.263 18225 4359 1 13 . 1 1 25 25 LYS C C 25 176.798 176.798 174.592 2.206 18225 4360 1 13 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.299 1.462 18225 4361 1 13 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.373 1.036 18225 4362 1 13 . 1 1 25 25 LYS H H 25 7.880 7.880 6.391 1.489 18225 4363 1 13 . 1 1 26 26 SER N N 26 113.780 113.780 110.813 2.967 18225 4364 1 13 . 1 1 26 26 SER HA H 26 4.461 4.461 4.492 -0.031 18225 4365 1 13 . 1 1 26 26 SER C C 26 174.957 174.957 174.564 0.393 18225 4366 1 13 . 1 1 26 26 SER CA C 26 58.760 58.760 58.399 0.361 18225 4367 1 13 . 1 1 26 26 SER CB C 26 63.889 63.889 63.005 0.884 18225 4368 1 13 . 1 1 26 26 SER H H 26 7.893 7.893 7.991 -0.098 18225 4369 1 13 . 1 1 27 27 SER N N 27 116.730 116.730 116.446 0.284 18225 4370 1 13 . 1 1 27 27 SER HA H 27 4.328 4.328 4.380 -0.052 18225 4371 1 13 . 1 1 27 27 SER C C 27 175.563 175.563 175.099 0.464 18225 4372 1 13 . 1 1 27 27 SER CA C 27 59.856 59.856 59.799 0.057 18225 4373 1 13 . 1 1 27 27 SER CB C 27 63.819 63.819 63.854 -0.035 18225 4374 1 13 . 1 1 27 27 SER H H 27 8.137 8.137 8.611 -0.474 18225 4375 1 13 . 1 1 28 28 GLY N N 28 110.734 110.734 108.035 2.699 18225 4376 1 13 . 1 1 28 28 GLY C C 28 174.314 174.314 173.602 0.712 18225 4377 1 13 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.051 1.073 18225 4378 1 13 . 1 1 28 28 GLY H H 28 8.477 8.477 7.788 0.689 18225 4379 1 13 . 1 1 29 29 ALA N N 29 121.690 121.690 120.933 0.757 18225 4380 1 13 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.045 0.244 18225 4381 1 13 . 1 1 29 29 ALA C C 29 177.330 177.330 177.204 0.126 18225 4382 1 13 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.884 -0.710 18225 4383 1 13 . 1 1 29 29 ALA CB C 29 19.884 19.884 18.025 1.859 18225 4384 1 13 . 1 1 29 29 ALA H H 29 8.189 8.189 8.291 -0.102 18225 4385 1 13 . 1 1 30 30 LEU N N 30 117.292 117.292 116.532 0.760 18225 4386 1 13 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.329 -0.250 18225 4387 1 13 . 1 1 30 30 LEU C C 30 177.377 177.377 177.806 -0.429 18225 4388 1 13 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.544 1.690 18225 4389 1 13 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.701 -0.287 18225 4390 1 13 . 1 1 30 30 LEU H H 30 7.873 7.873 7.875 -0.002 18225 4391 1 13 . 1 1 31 31 ILE N N 31 116.517 116.517 121.450 -4.933 18225 4392 1 13 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.044 -0.161 18225 4393 1 13 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.075 1.191 18225 4394 1 13 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.581 -0.825 18225 4395 1 13 . 1 1 31 31 ILE H H 31 8.262 8.262 8.472 -0.210 18225 4396 1 13 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.330 -0.118 18225 4397 1 13 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.995 -0.002 18225 4398 1 13 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.794 0.198 18225 4399 1 13 . 1 1 33 33 ALA N N 33 118.208 118.208 121.083 -2.875 18225 4400 1 13 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.098 -0.032 18225 4401 1 13 . 1 1 33 33 ALA C C 33 178.814 178.814 179.296 -0.482 18225 4402 1 13 . 1 1 33 33 ALA CA C 33 55.689 55.689 54.905 0.784 18225 4403 1 13 . 1 1 33 33 ALA CB C 33 18.379 18.379 18.471 -0.092 18225 4404 1 13 . 1 1 33 33 ALA H H 33 7.613 7.613 7.195 0.418 18225 4405 1 13 . 1 1 34 34 ILE N N 34 117.730 117.730 118.996 -1.266 18225 4406 1 13 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.689 -0.024 18225 4407 1 13 . 1 1 34 34 ILE C C 34 177.826 177.826 177.193 0.633 18225 4408 1 13 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.648 0.506 18225 4409 1 13 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.923 -0.640 18225 4410 1 13 . 1 1 34 34 ILE H H 34 8.259 8.259 7.364 0.895 18225 4411 1 13 . 1 1 35 35 TYR N N 35 118.693 118.693 117.742 0.951 18225 4412 1 13 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.198 -0.105 18225 4413 1 13 . 1 1 35 35 TYR C C 35 177.885 177.885 176.619 1.266 18225 4414 1 13 . 1 1 35 35 TYR CA C 35 61.638 61.638 59.424 2.214 18225 4415 1 13 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.329 -1.405 18225 4416 1 13 . 1 1 35 35 TYR H H 35 8.347 8.347 7.906 0.441 18225 4417 1 13 . 1 1 36 36 MET N N 36 117.356 117.356 119.808 -2.452 18225 4418 1 13 . 1 1 36 36 MET HA H 36 4.220 4.220 4.086 0.134 18225 4419 1 13 . 1 1 36 36 MET C C 36 177.903 177.903 177.122 0.781 18225 4420 1 13 . 1 1 36 36 MET CA C 36 58.653 58.653 58.578 0.076 18225 4421 1 13 . 1 1 36 36 MET CB C 36 32.172 32.172 33.099 -0.927 18225 4422 1 13 . 1 1 36 36 MET H H 36 8.252 8.252 7.947 0.305 18225 4423 1 13 . 1 1 37 37 LEU N N 37 119.978 119.978 117.802 2.176 18225 4424 1 13 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.147 -0.119 18225 4425 1 13 . 1 1 37 37 LEU C C 37 178.393 178.393 176.865 1.528 18225 4426 1 13 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.188 2.454 18225 4427 1 13 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.931 1.058 18225 4428 1 13 . 1 1 37 37 LEU H H 37 8.301 8.301 7.905 0.396 18225 4429 1 13 . 1 1 38 38 VAL N N 38 117.991 117.991 114.729 3.262 18225 4430 1 13 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.251 -0.749 18225 4431 1 13 . 1 1 38 38 VAL C C 38 177.962 177.962 175.979 1.983 18225 4432 1 13 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.642 4.513 18225 4433 1 13 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.151 -2.736 18225 4434 1 13 . 1 1 38 38 VAL H H 38 8.414 8.414 7.073 1.341 18225 4435 1 13 . 1 1 39 39 PHE N N 39 119.830 119.830 122.409 -2.579 18225 4436 1 13 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.136 0.042 18225 4437 1 13 . 1 1 39 39 PHE C C 39 178.233 178.233 175.978 2.255 18225 4438 1 13 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.877 0.626 18225 4439 1 13 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.168 -0.110 18225 4440 1 13 . 1 1 39 39 PHE H H 39 8.337 8.337 7.362 0.975 18225 4441 1 13 . 1 1 40 40 LEU N N 40 119.985 119.985 112.399 7.586 18225 4442 1 13 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.056 -0.090 18225 4443 1 13 . 1 1 40 40 LEU C C 40 179.279 179.279 176.335 2.944 18225 4444 1 13 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.058 2.814 18225 4445 1 13 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.481 -0.094 18225 4446 1 13 . 1 1 40 40 LEU H H 40 8.603 8.603 7.081 1.522 18225 4447 1 13 . 1 1 41 41 LEU N N 41 118.649 118.649 120.252 -1.603 18225 4448 1 13 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.473 -0.429 18225 4449 1 13 . 1 1 41 41 LEU C C 41 178.670 178.670 176.664 2.006 18225 4450 1 13 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.616 3.067 18225 4451 1 13 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.203 -0.272 18225 4452 1 13 . 1 1 41 41 LEU H H 41 8.486 8.486 7.504 0.982 18225 4453 1 13 . 1 1 42 42 GLY N N 42 105.262 105.262 109.080 -3.818 18225 4454 1 13 . 1 1 42 42 GLY C C 42 174.814 174.814 174.407 0.407 18225 4455 1 13 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.934 0.471 18225 4456 1 13 . 1 1 42 42 GLY H H 42 8.289 8.289 8.540 -0.251 18225 4457 1 13 . 1 1 43 43 THR N N 43 111.955 111.955 114.506 -2.551 18225 4458 1 13 . 1 1 43 43 THR HA H 43 4.243 4.243 4.519 -0.276 18225 4459 1 13 . 1 1 43 43 THR C C 43 175.888 175.888 175.339 0.549 18225 4460 1 13 . 1 1 43 43 THR CA C 43 63.505 63.505 62.406 1.099 18225 4461 1 13 . 1 1 43 43 THR CB C 43 69.598 69.598 70.045 -0.447 18225 4462 1 13 . 1 1 43 43 THR H H 43 7.891 7.891 7.929 -0.038 18225 4463 1 13 . 1 1 44 44 THR N N 44 111.997 111.997 117.489 -5.492 18225 4464 1 13 . 1 1 44 44 THR HA H 44 4.320 4.320 4.024 0.296 18225 4465 1 13 . 1 1 44 44 THR C C 44 175.543 175.543 176.254 -0.711 18225 4466 1 13 . 1 1 44 44 THR CA C 44 63.009 63.009 64.674 -1.665 18225 4467 1 13 . 1 1 44 44 THR CB C 44 69.881 69.881 68.825 1.056 18225 4468 1 13 . 1 1 44 44 THR H H 44 7.740 7.740 7.699 0.041 18225 4469 1 13 . 1 1 45 45 GLY N N 45 109.564 109.564 109.156 0.408 18225 4470 1 13 . 1 1 45 45 GLY C C 45 174.928 174.928 174.735 0.193 18225 4471 1 13 . 1 1 45 45 GLY CA C 45 46.420 46.420 47.116 -0.696 18225 4472 1 13 . 1 1 45 45 GLY H H 45 8.243 8.243 8.560 -0.317 18225 4473 1 13 . 1 1 46 46 ASN N N 46 117.851 117.851 117.833 0.018 18225 4474 1 13 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.762 -0.045 18225 4475 1 13 . 1 1 46 46 ASN C C 46 176.127 176.127 175.527 0.600 18225 4476 1 13 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.431 2.183 18225 4477 1 13 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.672 -0.361 18225 4478 1 13 . 1 1 46 46 ASN H H 46 8.170 8.170 8.244 -0.074 18225 4479 1 13 . 1 1 47 47 GLY N N 47 108.287 108.287 108.216 0.071 18225 4480 1 13 . 1 1 47 47 GLY C C 47 174.612 174.612 174.257 0.355 18225 4481 1 13 . 1 1 47 47 GLY CA C 47 47.241 47.241 46.463 0.778 18225 4482 1 13 . 1 1 47 47 GLY H H 47 8.663 8.663 8.297 0.366 18225 4483 1 13 . 1 1 48 48 LEU N N 48 120.479 120.479 118.740 1.739 18225 4484 1 13 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.781 -0.513 18225 4485 1 13 . 1 1 48 48 LEU C C 48 179.407 179.407 177.952 1.455 18225 4486 1 13 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.397 2.195 18225 4487 1 13 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.086 -1.348 18225 4488 1 13 . 1 1 48 48 LEU H H 48 8.149 8.149 7.712 0.437 18225 4489 1 13 . 1 1 49 49 VAL N N 49 119.968 119.968 121.958 -1.990 18225 4490 1 13 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.065 -0.249 18225 4491 1 13 . 1 1 49 49 VAL C C 49 177.444 177.444 176.358 1.086 18225 4492 1 13 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.982 0.961 18225 4493 1 13 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.363 0.315 18225 4494 1 13 . 1 1 49 49 VAL H H 49 7.969 7.969 8.135 -0.166 18225 4495 1 13 . 1 1 50 50 LEU N N 50 119.329 119.329 114.192 5.137 18225 4496 1 13 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.731 -0.719 18225 4497 1 13 . 1 1 50 50 LEU C C 50 178.085 178.085 176.077 2.008 18225 4498 1 13 . 1 1 50 50 LEU CA C 50 57.917 57.917 54.792 3.125 18225 4499 1 13 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.051 -0.345 18225 4500 1 13 . 1 1 50 50 LEU H H 50 7.814 7.814 8.014 -0.200 18225 4501 1 13 . 1 1 51 51 TRP N N 51 118.186 118.186 123.212 -5.026 18225 4502 1 13 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.857 -0.368 18225 4503 1 13 . 1 1 51 51 TRP C C 51 177.377 177.377 177.131 0.246 18225 4504 1 13 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.596 0.462 18225 4505 1 13 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.553 -0.772 18225 4506 1 13 . 1 1 51 51 TRP H H 51 8.125 8.125 7.720 0.405 18225 4507 1 13 . 1 1 52 52 THR N N 52 113.180 113.180 115.370 -2.190 18225 4508 1 13 . 1 1 52 52 THR HA H 52 3.787 3.787 3.208 0.579 18225 4509 1 13 . 1 1 52 52 THR C C 52 176.309 176.309 176.520 -0.211 18225 4510 1 13 . 1 1 52 52 THR CA C 52 66.473 66.473 64.562 1.911 18225 4511 1 13 . 1 1 52 52 THR CB C 52 68.865 68.865 67.588 1.277 18225 4512 1 13 . 1 1 52 52 THR H H 52 8.079 8.079 6.939 1.140 18225 4513 1 13 . 1 1 53 53 VAL N N 53 119.953 119.953 121.049 -1.096 18225 4514 1 13 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.630 0.018 18225 4515 1 13 . 1 1 53 53 VAL C C 53 177.252 177.252 176.193 1.059 18225 4516 1 13 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.506 0.580 18225 4517 1 13 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.987 -0.283 18225 4518 1 13 . 1 1 53 53 VAL H H 53 7.913 7.913 7.903 0.010 18225 4519 1 13 . 1 1 54 54 PHE N N 54 118.204 118.204 117.050 1.154 18225 4520 1 13 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.456 -0.209 18225 4521 1 13 . 1 1 54 54 PHE C C 54 177.144 177.144 175.447 1.697 18225 4522 1 13 . 1 1 54 54 PHE CA C 54 60.454 60.454 58.170 2.284 18225 4523 1 13 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.240 0.876 18225 4524 1 13 . 1 1 54 54 PHE H H 54 8.030 8.030 7.530 0.500 18225 4525 1 13 . 1 1 55 55 ARG N N 55 117.725 117.725 117.127 0.598 18225 4526 1 13 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.475 -0.591 18225 4527 1 13 . 1 1 55 55 ARG C C 55 177.443 177.443 176.769 0.674 18225 4528 1 13 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.326 1.228 18225 4529 1 13 . 1 1 55 55 ARG CB C 55 29.807 29.807 32.082 -2.275 18225 4530 1 13 . 1 1 55 55 ARG H H 55 8.034 8.034 7.823 0.211 18225 4531 1 13 . 1 1 56 56 LYS N N 56 118.622 118.622 121.482 -2.860 18225 4532 1 13 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.182 -0.018 18225 4533 1 13 . 1 1 56 56 LYS C C 56 177.418 177.418 175.716 1.702 18225 4534 1 13 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.532 -0.015 18225 4535 1 13 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.914 0.894 18225 4536 1 13 . 1 1 56 56 LYS H H 56 7.804 7.804 7.525 0.279 18225 4537 1 13 . 1 1 57 57 LYS N N 57 118.937 118.937 115.364 3.573 18225 4538 1 13 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.701 -0.443 18225 4539 1 13 . 1 1 57 57 LYS C C 57 177.029 177.029 176.768 0.261 18225 4540 1 13 . 1 1 57 57 LYS CA C 57 56.610 56.610 55.644 0.966 18225 4541 1 13 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.228 1.650 18225 4542 1 13 . 1 1 57 57 LYS H H 57 7.974 7.974 7.410 0.564 18225 4543 1 13 . 1 1 58 58 GLY N N 58 107.785 107.785 109.168 -1.383 18225 4544 1 13 . 1 1 58 58 GLY C C 58 173.543 173.543 175.054 -1.511 18225 4545 1 13 . 1 1 58 58 GLY CA C 58 45.473 45.473 47.428 -1.955 18225 4546 1 13 . 1 1 58 58 GLY H H 58 8.136 8.136 7.827 0.309 18225 4547 1 13 . 1 1 59 59 HIS N N 59 117.024 117.024 114.442 2.582 18225 4548 1 13 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.741 -0.119 18225 4549 1 13 . 1 1 59 59 HIS C C 59 174.183 174.183 174.453 -0.270 18225 4550 1 13 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.756 0.525 18225 4551 1 13 . 1 1 59 59 HIS CB C 59 29.081 29.081 28.413 0.668 18225 4552 1 13 . 1 1 59 59 HIS H H 59 8.163 8.163 8.265 -0.102 18225 4553 1 13 . 1 1 60 60 HIS N N 60 118.841 118.841 118.939 -0.098 18225 4554 1 13 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.719 -0.089 18225 4555 1 13 . 1 1 60 60 HIS C C 60 174.157 174.157 173.452 0.705 18225 4556 1 13 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.320 -0.980 18225 4557 1 13 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.111 -2.007 18225 4558 1 13 . 1 1 60 60 HIS H H 60 8.507 8.507 8.040 0.467 18225 4559 1 13 . 1 1 61 61 HIS N N 61 119.636 119.636 118.010 1.626 18225 4560 1 13 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.855 -0.201 18225 4561 1 13 . 1 1 61 61 HIS C C 61 174.095 174.095 173.149 0.946 18225 4562 1 13 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.368 -1.040 18225 4563 1 13 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.559 -1.325 18225 4564 1 13 . 1 1 61 61 HIS H H 61 8.613 8.613 7.824 0.789 18225 4565 1 13 . 1 1 62 62 HIS N N 62 120.286 120.286 119.605 0.681 18225 4566 1 13 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.741 -0.081 18225 4567 1 13 . 1 1 62 62 HIS C C 62 173.928 173.928 174.335 -0.407 18225 4568 1 13 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.722 -1.366 18225 4569 1 13 . 1 1 62 62 HIS CB C 62 29.329 29.329 31.233 -1.904 18225 4570 1 13 . 1 1 62 62 HIS H H 62 8.680 8.680 8.123 0.557 18225 4571 1 13 . 1 1 63 63 HIS N N 63 120.408 120.408 119.740 0.668 18225 4572 1 13 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.761 -0.112 18225 4573 1 13 . 1 1 63 63 HIS C C 63 173.437 173.437 174.725 -1.288 18225 4574 1 13 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.724 -0.160 18225 4575 1 13 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.540 0.943 18225 4576 1 13 . 1 1 63 63 HIS H H 63 8.541 8.541 7.939 0.602 18225 4577 1 14 . 1 1 2 2 GLU N N 2 123.432 123.432 122.652 0.780 18225 4578 1 14 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.492 -0.083 18225 4579 1 14 . 1 1 2 2 GLU C C 2 175.510 175.510 175.866 -0.356 18225 4580 1 14 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.188 0.028 18225 4581 1 14 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.872 -0.334 18225 4582 1 14 . 1 1 2 2 GLU H H 2 8.824 8.824 8.644 0.180 18225 4583 1 14 . 1 1 3 3 GLU N N 3 121.813 121.813 121.507 0.306 18225 4584 1 14 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.187 0.191 18225 4585 1 14 . 1 1 3 3 GLU C C 3 176.299 176.299 177.173 -0.874 18225 4586 1 14 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.574 -0.282 18225 4587 1 14 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.241 -0.788 18225 4588 1 14 . 1 1 3 3 GLU H H 3 8.546 8.546 8.446 0.100 18225 4589 1 14 . 1 1 4 4 GLY N N 4 109.619 109.619 109.907 -0.288 18225 4590 1 14 . 1 1 4 4 GLY C C 4 174.449 174.449 175.057 -0.608 18225 4591 1 14 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.980 0.550 18225 4592 1 14 . 1 1 4 4 GLY H H 4 8.463 8.463 8.485 -0.022 18225 4593 1 14 . 1 1 5 5 GLY N N 5 108.241 108.241 109.707 -1.466 18225 4594 1 14 . 1 1 5 5 GLY C C 5 173.965 173.965 175.531 -1.566 18225 4595 1 14 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.802 -0.350 18225 4596 1 14 . 1 1 5 5 GLY H H 5 8.220 8.220 8.020 0.200 18225 4597 1 14 . 1 1 6 6 ASP N N 6 119.184 119.184 119.729 -0.545 18225 4598 1 14 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.552 0.046 18225 4599 1 14 . 1 1 6 6 ASP C C 6 175.801 175.801 176.581 -0.780 18225 4600 1 14 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.413 -0.501 18225 4601 1 14 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.357 -1.022 18225 4602 1 14 . 1 1 6 6 ASP H H 6 8.329 8.329 8.734 -0.405 18225 4603 1 14 . 1 1 7 7 PHE N N 7 119.589 119.589 117.340 2.249 18225 4604 1 14 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.555 -0.075 18225 4605 1 14 . 1 1 7 7 PHE C C 7 175.881 175.881 175.354 0.527 18225 4606 1 14 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.493 1.327 18225 4607 1 14 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.370 -1.288 18225 4608 1 14 . 1 1 7 7 PHE H H 7 8.342 8.342 7.752 0.590 18225 4609 1 14 . 1 1 8 8 ASP N N 8 118.430 118.430 122.192 -3.762 18225 4610 1 14 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.180 0.276 18225 4611 1 14 . 1 1 8 8 ASP C C 8 175.642 175.642 175.201 0.441 18225 4612 1 14 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.625 -0.022 18225 4613 1 14 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.467 -2.883 18225 4614 1 14 . 1 1 8 8 ASP H H 8 8.223 8.223 7.755 0.468 18225 4615 1 14 . 1 1 9 9 ASN N N 9 117.097 117.097 120.821 -3.724 18225 4616 1 14 . 1 1 9 9 ASN HA H 9 4.559 4.559 3.882 0.677 18225 4617 1 14 . 1 1 9 9 ASN C C 9 175.264 175.264 175.125 0.139 18225 4618 1 14 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.745 1.099 18225 4619 1 14 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.029 0.686 18225 4620 1 14 . 1 1 9 9 ASN H H 9 8.069 8.069 8.375 -0.306 18225 4621 1 14 . 1 1 10 10 TYR N N 10 119.007 119.007 116.121 2.886 18225 4622 1 14 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.106 0.243 18225 4623 1 14 . 1 1 10 10 TYR C C 10 175.387 175.387 175.561 -0.174 18225 4624 1 14 . 1 1 10 10 TYR CA C 10 59.194 59.194 61.116 -1.922 18225 4625 1 14 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.100 2.728 18225 4626 1 14 . 1 1 10 10 TYR H H 10 7.901 7.901 8.163 -0.262 18225 4627 1 14 . 1 1 11 11 TYR N N 11 117.992 117.992 118.680 -0.688 18225 4628 1 14 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.183 0.260 18225 4629 1 14 . 1 1 11 11 TYR C C 11 175.765 175.765 176.459 -0.694 18225 4630 1 14 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.428 -1.056 18225 4631 1 14 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.765 1.029 18225 4632 1 14 . 1 1 11 11 TYR H H 11 7.885 7.885 7.944 -0.059 18225 4633 1 14 . 1 1 12 12 GLY N N 12 108.601 108.601 107.157 1.444 18225 4634 1 14 . 1 1 12 12 GLY C C 12 173.934 173.934 174.823 -0.889 18225 4635 1 14 . 1 1 12 12 GLY CA C 12 45.489 45.489 46.168 -0.679 18225 4636 1 14 . 1 1 12 12 GLY H H 12 7.861 7.861 8.670 -0.809 18225 4637 1 14 . 1 1 13 13 ALA N N 13 122.926 122.926 121.887 1.039 18225 4638 1 14 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.886 0.393 18225 4639 1 14 . 1 1 13 13 ALA C C 13 177.457 177.457 178.402 -0.945 18225 4640 1 14 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.370 -1.587 18225 4641 1 14 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.117 2.329 18225 4642 1 14 . 1 1 13 13 ALA H H 13 7.985 7.985 8.421 -0.436 18225 4643 1 14 . 1 1 14 14 ASP N N 14 117.380 117.380 120.010 -2.630 18225 4644 1 14 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.388 0.252 18225 4645 1 14 . 1 1 14 14 ASP C C 14 175.428 175.428 177.916 -2.488 18225 4646 1 14 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.323 -2.651 18225 4647 1 14 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.107 -0.742 18225 4648 1 14 . 1 1 14 14 ASP H H 14 8.330 8.330 8.527 -0.197 18225 4649 1 14 . 1 1 15 15 ASN N N 15 118.465 118.465 116.573 1.892 18225 4650 1 14 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.395 0.244 18225 4651 1 14 . 1 1 15 15 ASN C C 15 175.467 175.467 175.667 -0.200 18225 4652 1 14 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.675 -2.018 18225 4653 1 14 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.449 0.519 18225 4654 1 14 . 1 1 15 15 ASN H H 15 8.207 8.207 8.613 -0.406 18225 4655 1 14 . 1 1 16 16 GLN N N 16 119.741 119.741 116.736 3.005 18225 4656 1 14 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.484 -0.169 18225 4657 1 14 . 1 1 16 16 GLN C C 16 176.350 176.350 175.289 1.061 18225 4658 1 14 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.633 1.007 18225 4659 1 14 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.550 0.545 18225 4660 1 14 . 1 1 16 16 GLN H H 16 8.292 8.292 7.780 0.512 18225 4661 1 14 . 1 1 17 17 SER N N 17 115.772 115.772 116.632 -0.860 18225 4662 1 14 . 1 1 17 17 SER HA H 17 4.390 4.390 4.664 -0.274 18225 4663 1 14 . 1 1 17 17 SER C C 17 174.799 174.799 173.177 1.622 18225 4664 1 14 . 1 1 17 17 SER CA C 17 59.165 59.165 56.981 2.184 18225 4665 1 14 . 1 1 17 17 SER CB C 17 63.651 63.651 65.247 -1.596 18225 4666 1 14 . 1 1 17 17 SER H H 17 8.224 8.224 8.061 0.163 18225 4667 1 14 . 1 1 18 18 GLU N N 18 121.211 121.211 123.234 -2.023 18225 4668 1 14 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.189 0.129 18225 4669 1 14 . 1 1 18 18 GLU C C 18 176.201 176.201 176.273 -0.072 18225 4670 1 14 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.268 -0.543 18225 4671 1 14 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.247 0.718 18225 4672 1 14 . 1 1 18 18 GLU H H 18 8.285 8.285 8.640 -0.355 18225 4673 1 14 . 1 1 19 19 CYS N N 19 118.653 118.653 122.926 -4.273 18225 4674 1 14 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.577 -0.154 18225 4675 1 14 . 1 1 19 19 CYS C C 19 174.698 174.698 174.884 -0.186 18225 4676 1 14 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.628 0.447 18225 4677 1 14 . 1 1 19 19 CYS CB C 19 27.850 27.850 26.938 0.912 18225 4678 1 14 . 1 1 19 19 CYS H H 19 8.202 8.202 8.590 -0.388 18225 4679 1 14 . 1 1 20 20 GLU N N 20 121.851 121.851 118.148 3.703 18225 4680 1 14 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.043 0.222 18225 4681 1 14 . 1 1 20 20 GLU C C 20 176.100 176.100 175.076 1.024 18225 4682 1 14 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.586 -0.764 18225 4683 1 14 . 1 1 20 20 GLU CB C 20 28.976 28.976 26.982 1.994 18225 4684 1 14 . 1 1 20 20 GLU H H 20 8.349 8.349 8.865 -0.516 18225 4685 1 14 . 1 1 21 21 TYR N N 21 118.491 118.491 115.319 3.172 18225 4686 1 14 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.675 -0.257 18225 4687 1 14 . 1 1 21 21 TYR C C 21 175.881 175.881 176.223 -0.342 18225 4688 1 14 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.994 -0.263 18225 4689 1 14 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.120 -0.494 18225 4690 1 14 . 1 1 21 21 TYR H H 21 7.974 7.974 8.192 -0.218 18225 4691 1 14 . 1 1 22 22 THR N N 22 112.161 112.161 110.468 1.693 18225 4692 1 14 . 1 1 22 22 THR HA H 22 4.105 4.105 4.286 -0.181 18225 4693 1 14 . 1 1 22 22 THR C C 22 174.666 174.666 173.820 0.846 18225 4694 1 14 . 1 1 22 22 THR CA C 22 63.190 63.190 63.343 -0.152 18225 4695 1 14 . 1 1 22 22 THR CB C 22 69.306 69.306 69.717 -0.411 18225 4696 1 14 . 1 1 22 22 THR H H 22 7.747 7.747 7.966 -0.219 18225 4697 1 14 . 1 1 23 23 ASP N N 23 120.529 120.529 124.256 -3.727 18225 4698 1 14 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.636 0.018 18225 4699 1 14 . 1 1 23 23 ASP C C 23 176.119 176.119 175.834 0.285 18225 4700 1 14 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.840 -0.937 18225 4701 1 14 . 1 1 23 23 ASP CB C 23 39.138 39.138 38.504 0.634 18225 4702 1 14 . 1 1 23 23 ASP H H 23 8.114 8.114 8.661 -0.547 18225 4703 1 14 . 1 1 24 24 TRP N N 24 121.466 121.466 121.675 -0.209 18225 4704 1 14 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.809 -0.333 18225 4705 1 14 . 1 1 24 24 TRP C C 24 176.578 176.578 175.133 1.445 18225 4706 1 14 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.319 0.992 18225 4707 1 14 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.866 -0.680 18225 4708 1 14 . 1 1 24 24 TRP H H 24 8.034 8.034 7.779 0.255 18225 4709 1 14 . 1 1 25 25 LYS N N 25 119.430 119.430 123.337 -3.907 18225 4710 1 14 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.289 1.756 18225 4711 1 14 . 1 1 25 25 LYS C C 25 176.798 176.798 175.657 1.141 18225 4712 1 14 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.377 1.384 18225 4713 1 14 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.740 0.669 18225 4714 1 14 . 1 1 25 25 LYS H H 25 7.880 7.880 6.391 1.489 18225 4715 1 14 . 1 1 26 26 SER N N 26 113.780 113.780 119.252 -5.472 18225 4716 1 14 . 1 1 26 26 SER HA H 26 4.461 4.461 4.215 0.246 18225 4717 1 14 . 1 1 26 26 SER C C 26 174.957 174.957 175.242 -0.285 18225 4718 1 14 . 1 1 26 26 SER CA C 26 58.760 58.760 59.435 -0.675 18225 4719 1 14 . 1 1 26 26 SER CB C 26 63.889 63.889 63.495 0.394 18225 4720 1 14 . 1 1 26 26 SER H H 26 7.893 7.893 8.117 -0.224 18225 4721 1 14 . 1 1 27 27 SER N N 27 116.730 116.730 114.500 2.230 18225 4722 1 14 . 1 1 27 27 SER HA H 27 4.328 4.328 4.225 0.103 18225 4723 1 14 . 1 1 27 27 SER C C 27 175.563 175.563 173.655 1.908 18225 4724 1 14 . 1 1 27 27 SER CA C 27 59.856 59.856 59.709 0.147 18225 4725 1 14 . 1 1 27 27 SER CB C 27 63.819 63.819 62.568 1.252 18225 4726 1 14 . 1 1 27 27 SER H H 27 8.137 8.137 8.463 -0.326 18225 4727 1 14 . 1 1 28 28 GLY N N 28 110.734 110.734 105.215 5.519 18225 4728 1 14 . 1 1 28 28 GLY C C 28 174.314 174.314 173.510 0.804 18225 4729 1 14 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.167 0.958 18225 4730 1 14 . 1 1 28 28 GLY H H 28 8.477 8.477 7.755 0.722 18225 4731 1 14 . 1 1 29 29 ALA N N 29 121.690 121.690 123.000 -1.310 18225 4732 1 14 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.546 -0.257 18225 4733 1 14 . 1 1 29 29 ALA C C 29 177.330 177.330 178.488 -1.158 18225 4734 1 14 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.663 -0.489 18225 4735 1 14 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.279 0.605 18225 4736 1 14 . 1 1 29 29 ALA H H 29 8.189 8.189 8.028 0.161 18225 4737 1 14 . 1 1 30 30 LEU N N 30 117.292 117.292 114.540 2.752 18225 4738 1 14 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.787 -0.708 18225 4739 1 14 . 1 1 30 30 LEU C C 30 177.377 177.377 177.689 -0.312 18225 4740 1 14 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.087 2.147 18225 4741 1 14 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.327 0.087 18225 4742 1 14 . 1 1 30 30 LEU H H 30 7.873 7.873 7.902 -0.029 18225 4743 1 14 . 1 1 31 31 ILE N N 31 116.517 116.517 121.200 -4.683 18225 4744 1 14 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.017 -0.134 18225 4745 1 14 . 1 1 31 31 ILE CA C 31 66.266 66.266 64.181 2.085 18225 4746 1 14 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.680 -0.924 18225 4747 1 14 . 1 1 31 31 ILE H H 31 8.262 8.262 8.143 0.119 18225 4748 1 14 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.102 0.110 18225 4749 1 14 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.117 0.876 18225 4750 1 14 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.707 0.285 18225 4751 1 14 . 1 1 33 33 ALA N N 33 118.208 118.208 121.041 -2.833 18225 4752 1 14 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.288 -0.222 18225 4753 1 14 . 1 1 33 33 ALA C C 33 178.814 178.814 179.277 -0.463 18225 4754 1 14 . 1 1 33 33 ALA CA C 33 55.689 55.689 54.032 1.657 18225 4755 1 14 . 1 1 33 33 ALA CB C 33 18.379 18.379 18.954 -0.575 18225 4756 1 14 . 1 1 33 33 ALA H H 33 7.613 7.613 7.131 0.482 18225 4757 1 14 . 1 1 34 34 ILE N N 34 117.730 117.730 119.850 -2.120 18225 4758 1 14 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.575 0.090 18225 4759 1 14 . 1 1 34 34 ILE C C 34 177.826 177.826 178.243 -0.417 18225 4760 1 14 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.478 -0.324 18225 4761 1 14 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.884 -0.601 18225 4762 1 14 . 1 1 34 34 ILE H H 34 8.259 8.259 7.451 0.808 18225 4763 1 14 . 1 1 35 35 TYR N N 35 118.693 118.693 118.327 0.366 18225 4764 1 14 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.098 -0.005 18225 4765 1 14 . 1 1 35 35 TYR C C 35 177.885 177.885 177.954 -0.069 18225 4766 1 14 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.785 -0.146 18225 4767 1 14 . 1 1 35 35 TYR CB C 35 37.924 37.924 37.881 0.043 18225 4768 1 14 . 1 1 35 35 TYR H H 35 8.347 8.347 8.175 0.172 18225 4769 1 14 . 1 1 36 36 MET N N 36 117.356 117.356 117.412 -0.056 18225 4770 1 14 . 1 1 36 36 MET HA H 36 4.220 4.220 4.196 0.024 18225 4771 1 14 . 1 1 36 36 MET C C 36 177.903 177.903 177.893 0.010 18225 4772 1 14 . 1 1 36 36 MET CA C 36 58.653 58.653 58.531 0.122 18225 4773 1 14 . 1 1 36 36 MET CB C 36 32.172 32.172 32.324 -0.152 18225 4774 1 14 . 1 1 36 36 MET H H 36 8.252 8.252 7.864 0.388 18225 4775 1 14 . 1 1 37 37 LEU N N 37 119.978 119.978 117.670 2.308 18225 4776 1 14 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.279 -0.251 18225 4777 1 14 . 1 1 37 37 LEU C C 37 178.393 178.393 177.929 0.464 18225 4778 1 14 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.681 1.961 18225 4779 1 14 . 1 1 37 37 LEU CB C 37 41.989 41.989 42.148 -0.159 18225 4780 1 14 . 1 1 37 37 LEU H H 37 8.301 8.301 7.684 0.617 18225 4781 1 14 . 1 1 38 38 VAL N N 38 117.991 117.991 116.851 1.140 18225 4782 1 14 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.991 -0.489 18225 4783 1 14 . 1 1 38 38 VAL C C 38 177.962 177.962 176.415 1.547 18225 4784 1 14 . 1 1 38 38 VAL CA C 38 67.155 67.155 64.510 2.645 18225 4785 1 14 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.626 -0.211 18225 4786 1 14 . 1 1 38 38 VAL H H 38 8.414 8.414 8.114 0.300 18225 4787 1 14 . 1 1 39 39 PHE N N 39 119.830 119.830 121.812 -1.982 18225 4788 1 14 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.408 -0.230 18225 4789 1 14 . 1 1 39 39 PHE C C 39 178.233 178.233 175.795 2.438 18225 4790 1 14 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.291 0.212 18225 4791 1 14 . 1 1 39 39 PHE CB C 39 39.058 39.058 40.541 -1.483 18225 4792 1 14 . 1 1 39 39 PHE H H 39 8.337 8.337 7.527 0.810 18225 4793 1 14 . 1 1 40 40 LEU N N 40 119.985 119.985 117.654 2.331 18225 4794 1 14 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.191 -0.225 18225 4795 1 14 . 1 1 40 40 LEU C C 40 179.279 179.279 177.003 2.276 18225 4796 1 14 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.581 1.291 18225 4797 1 14 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.764 0.623 18225 4798 1 14 . 1 1 40 40 LEU H H 40 8.603 8.603 7.717 0.886 18225 4799 1 14 . 1 1 41 41 LEU N N 41 118.649 118.649 114.256 4.393 18225 4800 1 14 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.444 -0.400 18225 4801 1 14 . 1 1 41 41 LEU C C 41 178.670 178.670 177.786 0.884 18225 4802 1 14 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.925 2.758 18225 4803 1 14 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.052 -0.121 18225 4804 1 14 . 1 1 41 41 LEU H H 41 8.486 8.486 7.433 1.053 18225 4805 1 14 . 1 1 42 42 GLY N N 42 105.262 105.262 107.634 -2.372 18225 4806 1 14 . 1 1 42 42 GLY C C 42 174.814 174.814 175.072 -0.258 18225 4807 1 14 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.899 -0.494 18225 4808 1 14 . 1 1 42 42 GLY H H 42 8.289 8.289 7.634 0.655 18225 4809 1 14 . 1 1 43 43 THR N N 43 111.955 111.955 114.799 -2.844 18225 4810 1 14 . 1 1 43 43 THR HA H 43 4.243 4.243 4.500 -0.257 18225 4811 1 14 . 1 1 43 43 THR C C 43 175.888 175.888 176.286 -0.398 18225 4812 1 14 . 1 1 43 43 THR CA C 43 63.505 63.505 63.217 0.289 18225 4813 1 14 . 1 1 43 43 THR CB C 43 69.598 69.598 69.086 0.512 18225 4814 1 14 . 1 1 43 43 THR H H 43 7.891 7.891 7.319 0.572 18225 4815 1 14 . 1 1 44 44 THR N N 44 111.997 111.997 119.698 -7.701 18225 4816 1 14 . 1 1 44 44 THR HA H 44 4.320 4.320 3.929 0.391 18225 4817 1 14 . 1 1 44 44 THR C C 44 175.543 175.543 175.957 -0.414 18225 4818 1 14 . 1 1 44 44 THR CA C 44 63.009 63.009 66.931 -3.922 18225 4819 1 14 . 1 1 44 44 THR CB C 44 69.881 69.881 68.651 1.230 18225 4820 1 14 . 1 1 44 44 THR H H 44 7.740 7.740 7.407 0.333 18225 4821 1 14 . 1 1 45 45 GLY N N 45 109.564 109.564 107.005 2.559 18225 4822 1 14 . 1 1 45 45 GLY C C 45 174.928 174.928 174.914 0.014 18225 4823 1 14 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.774 -0.354 18225 4824 1 14 . 1 1 45 45 GLY H H 45 8.243 8.243 8.611 -0.368 18225 4825 1 14 . 1 1 46 46 ASN N N 46 117.851 117.851 116.535 1.316 18225 4826 1 14 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.852 -0.135 18225 4827 1 14 . 1 1 46 46 ASN C C 46 176.127 176.127 175.109 1.018 18225 4828 1 14 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.920 1.694 18225 4829 1 14 . 1 1 46 46 ASN CB C 46 39.311 39.311 40.186 -0.875 18225 4830 1 14 . 1 1 46 46 ASN H H 46 8.170 8.170 7.946 0.224 18225 4831 1 14 . 1 1 47 47 GLY N N 47 108.287 108.287 107.822 0.465 18225 4832 1 14 . 1 1 47 47 GLY C C 47 174.612 174.612 174.553 0.059 18225 4833 1 14 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.650 1.591 18225 4834 1 14 . 1 1 47 47 GLY H H 47 8.663 8.663 7.988 0.675 18225 4835 1 14 . 1 1 48 48 LEU N N 48 120.479 120.479 120.993 -0.514 18225 4836 1 14 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.601 -0.333 18225 4837 1 14 . 1 1 48 48 LEU C C 48 179.407 179.407 177.362 2.045 18225 4838 1 14 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.821 1.771 18225 4839 1 14 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.177 -1.439 18225 4840 1 14 . 1 1 48 48 LEU H H 48 8.149 8.149 7.351 0.798 18225 4841 1 14 . 1 1 49 49 VAL N N 49 119.968 119.968 115.719 4.249 18225 4842 1 14 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.885 -0.069 18225 4843 1 14 . 1 1 49 49 VAL C C 49 177.444 177.444 175.757 1.687 18225 4844 1 14 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.899 1.044 18225 4845 1 14 . 1 1 49 49 VAL CB C 49 31.678 31.678 30.474 1.204 18225 4846 1 14 . 1 1 49 49 VAL H H 49 7.969 7.969 7.958 0.011 18225 4847 1 14 . 1 1 50 50 LEU N N 50 119.329 119.329 117.882 1.447 18225 4848 1 14 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.541 -0.529 18225 4849 1 14 . 1 1 50 50 LEU C C 50 178.085 178.085 177.734 0.351 18225 4850 1 14 . 1 1 50 50 LEU CA C 50 57.917 57.917 56.039 1.878 18225 4851 1 14 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.381 -0.675 18225 4852 1 14 . 1 1 50 50 LEU H H 50 7.814 7.814 7.377 0.437 18225 4853 1 14 . 1 1 51 51 TRP N N 51 118.186 118.186 121.286 -3.100 18225 4854 1 14 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.724 -0.235 18225 4855 1 14 . 1 1 51 51 TRP C C 51 177.377 177.377 177.072 0.305 18225 4856 1 14 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.557 0.501 18225 4857 1 14 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.512 -0.731 18225 4858 1 14 . 1 1 51 51 TRP H H 51 8.125 8.125 8.066 0.059 18225 4859 1 14 . 1 1 52 52 THR N N 52 113.180 113.180 116.519 -3.339 18225 4860 1 14 . 1 1 52 52 THR HA H 52 3.787 3.787 3.504 0.283 18225 4861 1 14 . 1 1 52 52 THR C C 52 176.309 176.309 176.367 -0.058 18225 4862 1 14 . 1 1 52 52 THR CA C 52 66.473 66.473 65.852 0.621 18225 4863 1 14 . 1 1 52 52 THR CB C 52 68.865 68.865 68.076 0.789 18225 4864 1 14 . 1 1 52 52 THR H H 52 8.079 8.079 8.271 -0.192 18225 4865 1 14 . 1 1 53 53 VAL N N 53 119.953 119.953 121.657 -1.704 18225 4866 1 14 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.677 -0.029 18225 4867 1 14 . 1 1 53 53 VAL C C 53 177.252 177.252 176.235 1.017 18225 4868 1 14 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.942 0.144 18225 4869 1 14 . 1 1 53 53 VAL CB C 53 31.704 31.704 32.059 -0.355 18225 4870 1 14 . 1 1 53 53 VAL H H 53 7.913 7.913 7.581 0.332 18225 4871 1 14 . 1 1 54 54 PHE N N 54 118.204 118.204 115.834 2.370 18225 4872 1 14 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.481 -0.234 18225 4873 1 14 . 1 1 54 54 PHE C C 54 177.144 177.144 175.334 1.810 18225 4874 1 14 . 1 1 54 54 PHE CA C 54 60.454 60.454 58.136 2.318 18225 4875 1 14 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.316 0.799 18225 4876 1 14 . 1 1 54 54 PHE H H 54 8.030 8.030 7.920 0.110 18225 4877 1 14 . 1 1 55 55 ARG N N 55 117.725 117.725 117.307 0.418 18225 4878 1 14 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.509 -0.625 18225 4879 1 14 . 1 1 55 55 ARG C C 55 177.443 177.443 176.456 0.987 18225 4880 1 14 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.385 1.169 18225 4881 1 14 . 1 1 55 55 ARG CB C 55 29.807 29.807 32.018 -2.211 18225 4882 1 14 . 1 1 55 55 ARG H H 55 8.034 8.034 8.365 -0.331 18225 4883 1 14 . 1 1 56 56 LYS N N 56 118.622 118.622 118.874 -0.252 18225 4884 1 14 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.242 -0.078 18225 4885 1 14 . 1 1 56 56 LYS C C 56 177.418 177.418 178.152 -0.734 18225 4886 1 14 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.571 -0.054 18225 4887 1 14 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.241 0.567 18225 4888 1 14 . 1 1 56 56 LYS H H 56 7.804 7.804 7.688 0.116 18225 4889 1 14 . 1 1 57 57 LYS N N 57 118.937 118.937 120.669 -1.732 18225 4890 1 14 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.074 0.184 18225 4891 1 14 . 1 1 57 57 LYS C C 57 177.029 177.029 177.360 -0.331 18225 4892 1 14 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.626 -1.016 18225 4893 1 14 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.314 0.564 18225 4894 1 14 . 1 1 57 57 LYS H H 57 7.974 7.974 7.636 0.338 18225 4895 1 14 . 1 1 58 58 GLY N N 58 107.785 107.785 104.216 3.569 18225 4896 1 14 . 1 1 58 58 GLY C C 58 173.543 173.543 173.594 -0.051 18225 4897 1 14 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.319 0.154 18225 4898 1 14 . 1 1 58 58 GLY H H 58 8.136 8.136 8.435 -0.299 18225 4899 1 14 . 1 1 59 59 HIS N N 59 117.024 117.024 116.867 0.157 18225 4900 1 14 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.679 -0.057 18225 4901 1 14 . 1 1 59 59 HIS C C 59 174.183 174.183 173.628 0.555 18225 4902 1 14 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.311 0.970 18225 4903 1 14 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.780 -0.699 18225 4904 1 14 . 1 1 59 59 HIS H H 59 8.163 8.163 7.935 0.228 18225 4905 1 14 . 1 1 60 60 HIS N N 60 118.841 118.841 118.179 0.662 18225 4906 1 14 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.446 0.184 18225 4907 1 14 . 1 1 60 60 HIS C C 60 174.157 174.157 174.426 -0.269 18225 4908 1 14 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.176 -0.836 18225 4909 1 14 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.383 -1.279 18225 4910 1 14 . 1 1 60 60 HIS H H 60 8.507 8.507 8.020 0.487 18225 4911 1 14 . 1 1 61 61 HIS N N 61 119.636 119.636 117.067 2.569 18225 4912 1 14 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.449 0.205 18225 4913 1 14 . 1 1 61 61 HIS C C 61 174.095 174.095 176.303 -2.208 18225 4914 1 14 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.616 -1.287 18225 4915 1 14 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.590 -1.357 18225 4916 1 14 . 1 1 61 61 HIS H H 61 8.613 8.613 8.076 0.537 18225 4917 1 14 . 1 1 62 62 HIS N N 62 120.286 120.286 120.917 -0.631 18225 4918 1 14 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.323 0.337 18225 4919 1 14 . 1 1 62 62 HIS C C 62 173.928 173.928 175.230 -1.302 18225 4920 1 14 . 1 1 62 62 HIS CA C 62 55.356 55.356 57.550 -2.194 18225 4921 1 14 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.590 -1.261 18225 4922 1 14 . 1 1 62 62 HIS H H 62 8.680 8.680 8.414 0.266 18225 4923 1 14 . 1 1 63 63 HIS N N 63 120.408 120.408 117.401 3.007 18225 4924 1 14 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.480 0.169 18225 4925 1 14 . 1 1 63 63 HIS C C 63 173.437 173.437 173.874 -0.437 18225 4926 1 14 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.523 0.041 18225 4927 1 14 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.752 0.731 18225 4928 1 14 . 1 1 63 63 HIS H H 63 8.541 8.541 8.238 0.303 18225 4929 1 15 . 1 1 2 2 GLU N N 2 123.432 123.432 121.648 1.784 18225 4930 1 15 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.582 -0.173 18225 4931 1 15 . 1 1 2 2 GLU C C 2 175.510 175.510 175.395 0.115 18225 4932 1 15 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.732 -0.516 18225 4933 1 15 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.773 -1.235 18225 4934 1 15 . 1 1 2 2 GLU H H 2 8.824 8.824 8.625 0.199 18225 4935 1 15 . 1 1 3 3 GLU N N 3 121.813 121.813 120.157 1.656 18225 4936 1 15 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.178 0.200 18225 4937 1 15 . 1 1 3 3 GLU C C 3 176.299 176.299 176.250 0.049 18225 4938 1 15 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.614 -0.322 18225 4939 1 15 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.009 -0.557 18225 4940 1 15 . 1 1 3 3 GLU H H 3 8.546 8.546 8.454 0.092 18225 4941 1 15 . 1 1 4 4 GLY N N 4 109.619 109.619 111.544 -1.925 18225 4942 1 15 . 1 1 4 4 GLY C C 4 174.449 174.449 175.631 -1.182 18225 4943 1 15 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.650 0.880 18225 4944 1 15 . 1 1 4 4 GLY H H 4 8.463 8.463 8.584 -0.121 18225 4945 1 15 . 1 1 5 5 GLY N N 5 108.241 108.241 110.213 -1.972 18225 4946 1 15 . 1 1 5 5 GLY C C 5 173.965 173.965 175.535 -1.570 18225 4947 1 15 . 1 1 5 5 GLY CA C 5 45.452 45.452 46.034 -0.582 18225 4948 1 15 . 1 1 5 5 GLY H H 5 8.220 8.220 7.966 0.254 18225 4949 1 15 . 1 1 6 6 ASP N N 6 119.184 119.184 122.039 -2.855 18225 4950 1 15 . 1 1 6 6 ASP HA H 6 4.598 4.598 3.713 0.885 18225 4951 1 15 . 1 1 6 6 ASP C C 6 175.801 175.801 175.049 0.752 18225 4952 1 15 . 1 1 6 6 ASP CA C 6 53.912 53.912 52.544 1.368 18225 4953 1 15 . 1 1 6 6 ASP CB C 6 39.335 39.335 38.722 0.613 18225 4954 1 15 . 1 1 6 6 ASP H H 6 8.329 8.329 8.319 0.010 18225 4955 1 15 . 1 1 7 7 PHE N N 7 119.589 119.589 113.296 6.293 18225 4956 1 15 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.093 0.387 18225 4957 1 15 . 1 1 7 7 PHE C C 7 175.881 175.881 174.796 1.085 18225 4958 1 15 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.439 1.382 18225 4959 1 15 . 1 1 7 7 PHE CB C 7 39.082 39.082 35.811 3.271 18225 4960 1 15 . 1 1 7 7 PHE H H 7 8.342 8.342 7.806 0.536 18225 4961 1 15 . 1 1 8 8 ASP N N 8 118.430 118.430 118.386 0.044 18225 4962 1 15 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.338 0.118 18225 4963 1 15 . 1 1 8 8 ASP C C 8 175.642 175.642 176.309 -0.667 18225 4964 1 15 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.904 -0.301 18225 4965 1 15 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.809 -2.224 18225 4966 1 15 . 1 1 8 8 ASP H H 8 8.223 8.223 8.389 -0.166 18225 4967 1 15 . 1 1 9 9 ASN N N 9 117.097 117.097 119.015 -1.918 18225 4968 1 15 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.356 0.203 18225 4969 1 15 . 1 1 9 9 ASN C C 9 175.264 175.264 176.510 -1.246 18225 4970 1 15 . 1 1 9 9 ASN CA C 9 53.844 53.844 55.046 -1.202 18225 4971 1 15 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.216 0.499 18225 4972 1 15 . 1 1 9 9 ASN H H 9 8.069 8.069 8.507 -0.438 18225 4973 1 15 . 1 1 10 10 TYR N N 10 119.007 119.007 119.915 -0.908 18225 4974 1 15 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.176 0.173 18225 4975 1 15 . 1 1 10 10 TYR C C 10 175.387 175.387 177.051 -1.664 18225 4976 1 15 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.522 -1.328 18225 4977 1 15 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.530 0.298 18225 4978 1 15 . 1 1 10 10 TYR H H 10 7.901 7.901 7.880 0.021 18225 4979 1 15 . 1 1 11 11 TYR N N 11 117.992 117.992 117.936 0.056 18225 4980 1 15 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.146 0.297 18225 4981 1 15 . 1 1 11 11 TYR C C 11 175.765 175.765 177.278 -1.513 18225 4982 1 15 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.171 -1.799 18225 4983 1 15 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.058 1.736 18225 4984 1 15 . 1 1 11 11 TYR H H 11 7.885 7.885 8.835 -0.950 18225 4985 1 15 . 1 1 12 12 GLY N N 12 108.601 108.601 107.267 1.334 18225 4986 1 15 . 1 1 12 12 GLY C C 12 173.934 173.934 174.722 -0.788 18225 4987 1 15 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.432 0.057 18225 4988 1 15 . 1 1 12 12 GLY H H 12 7.861 7.861 8.700 -0.839 18225 4989 1 15 . 1 1 13 13 ALA N N 13 122.926 122.926 123.723 -0.797 18225 4990 1 15 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.946 0.333 18225 4991 1 15 . 1 1 13 13 ALA C C 13 177.457 177.457 178.580 -1.123 18225 4992 1 15 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.401 -1.619 18225 4993 1 15 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.296 2.151 18225 4994 1 15 . 1 1 13 13 ALA H H 13 7.985 7.985 8.026 -0.041 18225 4995 1 15 . 1 1 14 14 ASP N N 14 117.380 117.380 119.991 -2.611 18225 4996 1 15 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.401 0.239 18225 4997 1 15 . 1 1 14 14 ASP C C 14 175.428 175.428 177.669 -2.241 18225 4998 1 15 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.493 -2.821 18225 4999 1 15 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.213 -0.848 18225 5000 1 15 . 1 1 14 14 ASP H H 14 8.330 8.330 8.473 -0.143 18225 5001 1 15 . 1 1 15 15 ASN N N 15 118.465 118.465 116.324 2.141 18225 5002 1 15 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.592 0.047 18225 5003 1 15 . 1 1 15 15 ASN C C 15 175.467 175.467 174.871 0.596 18225 5004 1 15 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.363 -0.706 18225 5005 1 15 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.408 0.560 18225 5006 1 15 . 1 1 15 15 ASN H H 15 8.207 8.207 8.386 -0.179 18225 5007 1 15 . 1 1 16 16 GLN N N 16 119.741 119.741 117.895 1.846 18225 5008 1 15 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.322 -0.007 18225 5009 1 15 . 1 1 16 16 GLN C C 16 176.350 176.350 174.001 2.349 18225 5010 1 15 . 1 1 16 16 GLN CA C 16 56.640 56.640 54.633 2.007 18225 5011 1 15 . 1 1 16 16 GLN CB C 16 29.096 29.096 29.634 -0.538 18225 5012 1 15 . 1 1 16 16 GLN H H 16 8.292 8.292 7.756 0.536 18225 5013 1 15 . 1 1 17 17 SER N N 17 115.772 115.772 116.936 -1.164 18225 5014 1 15 . 1 1 17 17 SER HA H 17 4.390 4.390 4.595 -0.205 18225 5015 1 15 . 1 1 17 17 SER C C 17 174.799 174.799 174.083 0.716 18225 5016 1 15 . 1 1 17 17 SER CA C 17 59.165 59.165 58.127 1.038 18225 5017 1 15 . 1 1 17 17 SER CB C 17 63.651 63.651 63.365 0.286 18225 5018 1 15 . 1 1 17 17 SER H H 17 8.224 8.224 7.863 0.361 18225 5019 1 15 . 1 1 18 18 GLU N N 18 121.211 121.211 121.325 -0.114 18225 5020 1 15 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.187 0.131 18225 5021 1 15 . 1 1 18 18 GLU C C 18 176.201 176.201 175.867 0.334 18225 5022 1 15 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.400 -0.675 18225 5023 1 15 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.463 -0.498 18225 5024 1 15 . 1 1 18 18 GLU H H 18 8.285 8.285 9.130 -0.845 18225 5025 1 15 . 1 1 19 19 CYS N N 19 118.653 118.653 120.254 -1.601 18225 5026 1 15 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.456 -0.033 18225 5027 1 15 . 1 1 19 19 CYS C C 19 174.698 174.698 174.534 0.164 18225 5028 1 15 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.146 -0.071 18225 5029 1 15 . 1 1 19 19 CYS CB C 19 27.850 27.850 25.015 2.835 18225 5030 1 15 . 1 1 19 19 CYS H H 19 8.202 8.202 8.470 -0.268 18225 5031 1 15 . 1 1 20 20 GLU N N 20 121.851 121.851 120.336 1.515 18225 5032 1 15 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.543 -0.278 18225 5033 1 15 . 1 1 20 20 GLU C C 20 176.100 176.100 174.935 1.165 18225 5034 1 15 . 1 1 20 20 GLU CA C 20 56.822 56.822 58.181 -1.359 18225 5035 1 15 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.584 1.393 18225 5036 1 15 . 1 1 20 20 GLU H H 20 8.349 8.349 8.214 0.135 18225 5037 1 15 . 1 1 21 21 TYR N N 21 118.491 118.491 113.042 5.449 18225 5038 1 15 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.584 -0.166 18225 5039 1 15 . 1 1 21 21 TYR C C 21 175.881 175.881 173.511 2.370 18225 5040 1 15 . 1 1 21 21 TYR CA C 21 58.731 58.731 56.188 2.543 18225 5041 1 15 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.866 -0.240 18225 5042 1 15 . 1 1 21 21 TYR H H 21 7.974 7.974 8.361 -0.387 18225 5043 1 15 . 1 1 22 22 THR N N 22 112.161 112.161 113.175 -1.014 18225 5044 1 15 . 1 1 22 22 THR HA H 22 4.105 4.105 3.961 0.144 18225 5045 1 15 . 1 1 22 22 THR C C 22 174.666 174.666 174.386 0.280 18225 5046 1 15 . 1 1 22 22 THR CA C 22 63.190 63.190 62.035 1.155 18225 5047 1 15 . 1 1 22 22 THR CB C 22 69.306 69.306 69.398 -0.092 18225 5048 1 15 . 1 1 22 22 THR H H 22 7.747 7.747 7.413 0.334 18225 5049 1 15 . 1 1 23 23 ASP N N 23 120.529 120.529 119.820 0.709 18225 5050 1 15 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.576 0.078 18225 5051 1 15 . 1 1 23 23 ASP C C 23 176.119 176.119 176.761 -0.642 18225 5052 1 15 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.347 -2.445 18225 5053 1 15 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.067 -1.929 18225 5054 1 15 . 1 1 23 23 ASP H H 23 8.114 8.114 8.392 -0.278 18225 5055 1 15 . 1 1 24 24 TRP N N 24 121.466 121.466 115.030 6.436 18225 5056 1 15 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.641 -0.165 18225 5057 1 15 . 1 1 24 24 TRP C C 24 176.578 176.578 175.076 1.502 18225 5058 1 15 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.474 0.837 18225 5059 1 15 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.274 -0.088 18225 5060 1 15 . 1 1 24 24 TRP H H 24 8.034 8.034 7.074 0.960 18225 5061 1 15 . 1 1 25 25 LYS N N 25 119.430 119.430 121.223 -1.793 18225 5062 1 15 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.355 0.690 18225 5063 1 15 . 1 1 25 25 LYS C C 25 176.798 176.798 174.933 1.865 18225 5064 1 15 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.840 0.921 18225 5065 1 15 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.380 1.029 18225 5066 1 15 . 1 1 25 25 LYS H H 25 7.880 7.880 6.684 1.196 18225 5067 1 15 . 1 1 26 26 SER N N 26 113.780 113.780 114.737 -0.957 18225 5068 1 15 . 1 1 26 26 SER HA H 26 4.461 4.461 4.538 -0.077 18225 5069 1 15 . 1 1 26 26 SER C C 26 174.957 174.957 174.201 0.756 18225 5070 1 15 . 1 1 26 26 SER CA C 26 58.760 58.760 57.766 0.994 18225 5071 1 15 . 1 1 26 26 SER CB C 26 63.889 63.889 65.083 -1.194 18225 5072 1 15 . 1 1 26 26 SER H H 26 7.893 7.893 7.929 -0.036 18225 5073 1 15 . 1 1 27 27 SER N N 27 116.730 116.730 118.147 -1.417 18225 5074 1 15 . 1 1 27 27 SER HA H 27 4.328 4.328 4.524 -0.196 18225 5075 1 15 . 1 1 27 27 SER C C 27 175.563 175.563 174.954 0.609 18225 5076 1 15 . 1 1 27 27 SER CA C 27 59.856 59.856 58.701 1.155 18225 5077 1 15 . 1 1 27 27 SER CB C 27 63.819 63.819 62.561 1.258 18225 5078 1 15 . 1 1 27 27 SER H H 27 8.137 8.137 8.563 -0.426 18225 5079 1 15 . 1 1 28 28 GLY N N 28 110.734 110.734 108.950 1.784 18225 5080 1 15 . 1 1 28 28 GLY C C 28 174.314 174.314 173.602 0.712 18225 5081 1 15 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.712 1.413 18225 5082 1 15 . 1 1 28 28 GLY H H 28 8.477 8.477 7.568 0.909 18225 5083 1 15 . 1 1 29 29 ALA N N 29 121.690 121.690 120.249 1.441 18225 5084 1 15 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.032 0.257 18225 5085 1 15 . 1 1 29 29 ALA C C 29 177.330 177.330 176.233 1.097 18225 5086 1 15 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.748 0.426 18225 5087 1 15 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.565 2.319 18225 5088 1 15 . 1 1 29 29 ALA H H 29 8.189 8.189 7.956 0.233 18225 5089 1 15 . 1 1 30 30 LEU N N 30 117.292 117.292 114.166 3.126 18225 5090 1 15 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.658 -0.579 18225 5091 1 15 . 1 1 30 30 LEU C C 30 177.377 177.377 177.020 0.357 18225 5092 1 15 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.180 4.054 18225 5093 1 15 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.343 0.071 18225 5094 1 15 . 1 1 30 30 LEU H H 30 7.873 7.873 8.034 -0.161 18225 5095 1 15 . 1 1 31 31 ILE N N 31 116.517 116.517 120.737 -4.220 18225 5096 1 15 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.293 -0.410 18225 5097 1 15 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.091 3.175 18225 5098 1 15 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.925 -0.169 18225 5099 1 15 . 1 1 31 31 ILE H H 31 8.262 8.262 8.202 0.060 18225 5100 1 15 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.580 -0.368 18225 5101 1 15 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.213 2.780 18225 5102 1 15 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.282 0.710 18225 5103 1 15 . 1 1 33 33 ALA N N 33 118.208 118.208 120.499 -2.291 18225 5104 1 15 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.476 -0.410 18225 5105 1 15 . 1 1 33 33 ALA C C 33 178.814 178.814 177.776 1.038 18225 5106 1 15 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.998 2.691 18225 5107 1 15 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.592 -2.213 18225 5108 1 15 . 1 1 33 33 ALA H H 33 7.613 7.613 7.589 0.024 18225 5109 1 15 . 1 1 34 34 ILE N N 34 117.730 117.730 118.320 -0.590 18225 5110 1 15 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.186 -0.521 18225 5111 1 15 . 1 1 34 34 ILE C C 34 177.826 177.826 177.180 0.646 18225 5112 1 15 . 1 1 34 34 ILE CA C 34 65.154 65.154 63.455 1.699 18225 5113 1 15 . 1 1 34 34 ILE CB C 34 37.283 37.283 39.573 -2.290 18225 5114 1 15 . 1 1 34 34 ILE H H 34 8.259 8.259 7.491 0.768 18225 5115 1 15 . 1 1 35 35 TYR N N 35 118.693 118.693 120.515 -1.822 18225 5116 1 15 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.260 -0.167 18225 5117 1 15 . 1 1 35 35 TYR C C 35 177.885 177.885 176.279 1.606 18225 5118 1 15 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.105 0.533 18225 5119 1 15 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.833 -0.909 18225 5120 1 15 . 1 1 35 35 TYR H H 35 8.347 8.347 7.711 0.636 18225 5121 1 15 . 1 1 36 36 MET N N 36 117.356 117.356 119.334 -1.978 18225 5122 1 15 . 1 1 36 36 MET HA H 36 4.220 4.220 4.406 -0.186 18225 5123 1 15 . 1 1 36 36 MET C C 36 177.903 177.903 177.123 0.780 18225 5124 1 15 . 1 1 36 36 MET CA C 36 58.653 58.653 58.265 0.388 18225 5125 1 15 . 1 1 36 36 MET CB C 36 32.172 32.172 32.972 -0.800 18225 5126 1 15 . 1 1 36 36 MET H H 36 8.252 8.252 7.904 0.348 18225 5127 1 15 . 1 1 37 37 LEU N N 37 119.978 119.978 120.987 -1.009 18225 5128 1 15 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.040 -0.012 18225 5129 1 15 . 1 1 37 37 LEU C C 37 178.393 178.393 177.634 0.759 18225 5130 1 15 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.270 1.372 18225 5131 1 15 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.495 0.494 18225 5132 1 15 . 1 1 37 37 LEU H H 37 8.301 8.301 8.108 0.193 18225 5133 1 15 . 1 1 38 38 VAL N N 38 117.991 117.991 116.327 1.664 18225 5134 1 15 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.004 -0.502 18225 5135 1 15 . 1 1 38 38 VAL C C 38 177.962 177.962 176.742 1.220 18225 5136 1 15 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.911 4.244 18225 5137 1 15 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.687 -0.272 18225 5138 1 15 . 1 1 38 38 VAL H H 38 8.414 8.414 7.612 0.802 18225 5139 1 15 . 1 1 39 39 PHE N N 39 119.830 119.830 122.119 -2.289 18225 5140 1 15 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.018 0.160 18225 5141 1 15 . 1 1 39 39 PHE C C 39 178.233 178.233 176.063 2.170 18225 5142 1 15 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.893 -0.390 18225 5143 1 15 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.822 -0.764 18225 5144 1 15 . 1 1 39 39 PHE H H 39 8.337 8.337 8.216 0.121 18225 5145 1 15 . 1 1 40 40 LEU N N 40 119.985 119.985 111.190 8.795 18225 5146 1 15 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.461 -0.495 18225 5147 1 15 . 1 1 40 40 LEU C C 40 179.279 179.279 175.993 3.286 18225 5148 1 15 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.935 2.937 18225 5149 1 15 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.491 -0.104 18225 5150 1 15 . 1 1 40 40 LEU H H 40 8.603 8.603 7.291 1.312 18225 5151 1 15 . 1 1 41 41 LEU N N 41 118.649 118.649 119.829 -1.180 18225 5152 1 15 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.489 -0.445 18225 5153 1 15 . 1 1 41 41 LEU C C 41 178.670 178.670 176.568 2.102 18225 5154 1 15 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.409 3.274 18225 5155 1 15 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.950 -0.019 18225 5156 1 15 . 1 1 41 41 LEU H H 41 8.486 8.486 7.488 0.998 18225 5157 1 15 . 1 1 42 42 GLY N N 42 105.262 105.262 108.229 -2.967 18225 5158 1 15 . 1 1 42 42 GLY C C 42 174.814 174.814 174.643 0.171 18225 5159 1 15 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.134 0.271 18225 5160 1 15 . 1 1 42 42 GLY H H 42 8.289 8.289 8.383 -0.094 18225 5161 1 15 . 1 1 43 43 THR N N 43 111.955 111.955 116.219 -4.264 18225 5162 1 15 . 1 1 43 43 THR HA H 43 4.243 4.243 4.573 -0.330 18225 5163 1 15 . 1 1 43 43 THR C C 43 175.888 175.888 175.752 0.136 18225 5164 1 15 . 1 1 43 43 THR CA C 43 63.505 63.505 63.637 -0.132 18225 5165 1 15 . 1 1 43 43 THR CB C 43 69.598 69.598 70.125 -0.527 18225 5166 1 15 . 1 1 43 43 THR H H 43 7.891 7.891 7.654 0.237 18225 5167 1 15 . 1 1 44 44 THR N N 44 111.997 111.997 117.907 -5.910 18225 5168 1 15 . 1 1 44 44 THR HA H 44 4.320 4.320 3.748 0.572 18225 5169 1 15 . 1 1 44 44 THR C C 44 175.543 175.543 176.048 -0.505 18225 5170 1 15 . 1 1 44 44 THR CA C 44 63.009 63.009 66.156 -3.147 18225 5171 1 15 . 1 1 44 44 THR CB C 44 69.881 69.881 68.394 1.486 18225 5172 1 15 . 1 1 44 44 THR H H 44 7.740 7.740 7.283 0.457 18225 5173 1 15 . 1 1 45 45 GLY N N 45 109.564 109.564 108.811 0.753 18225 5174 1 15 . 1 1 45 45 GLY C C 45 174.928 174.928 175.278 -0.350 18225 5175 1 15 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.934 -0.514 18225 5176 1 15 . 1 1 45 45 GLY H H 45 8.243 8.243 8.214 0.029 18225 5177 1 15 . 1 1 46 46 ASN N N 46 117.851 117.851 118.828 -0.977 18225 5178 1 15 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.736 -0.019 18225 5179 1 15 . 1 1 46 46 ASN C C 46 176.127 176.127 175.010 1.117 18225 5180 1 15 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.026 1.588 18225 5181 1 15 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.423 -0.112 18225 5182 1 15 . 1 1 46 46 ASN H H 46 8.170 8.170 8.061 0.109 18225 5183 1 15 . 1 1 47 47 GLY N N 47 108.287 108.287 108.664 -0.377 18225 5184 1 15 . 1 1 47 47 GLY C C 47 174.612 174.612 174.126 0.486 18225 5185 1 15 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.381 1.860 18225 5186 1 15 . 1 1 47 47 GLY H H 47 8.663 8.663 8.323 0.340 18225 5187 1 15 . 1 1 48 48 LEU N N 48 120.479 120.479 119.367 1.112 18225 5188 1 15 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.768 -0.500 18225 5189 1 15 . 1 1 48 48 LEU C C 48 179.407 179.407 177.365 2.042 18225 5190 1 15 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.176 2.416 18225 5191 1 15 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.116 -0.378 18225 5192 1 15 . 1 1 48 48 LEU H H 48 8.149 8.149 7.818 0.331 18225 5193 1 15 . 1 1 49 49 VAL N N 49 119.968 119.968 119.258 0.710 18225 5194 1 15 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.923 -0.107 18225 5195 1 15 . 1 1 49 49 VAL C C 49 177.444 177.444 176.408 1.036 18225 5196 1 15 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.485 0.458 18225 5197 1 15 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.386 -0.709 18225 5198 1 15 . 1 1 49 49 VAL H H 49 7.969 7.969 7.597 0.372 18225 5199 1 15 . 1 1 50 50 LEU N N 50 119.329 119.329 114.979 4.350 18225 5200 1 15 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.660 -0.648 18225 5201 1 15 . 1 1 50 50 LEU C C 50 178.085 178.085 177.098 0.987 18225 5202 1 15 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.669 2.248 18225 5203 1 15 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.576 0.130 18225 5204 1 15 . 1 1 50 50 LEU H H 50 7.814 7.814 7.780 0.034 18225 5205 1 15 . 1 1 51 51 TRP N N 51 118.186 118.186 123.271 -5.085 18225 5206 1 15 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.619 -0.130 18225 5207 1 15 . 1 1 51 51 TRP C C 51 177.377 177.377 177.581 -0.204 18225 5208 1 15 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.409 0.649 18225 5209 1 15 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.847 -0.066 18225 5210 1 15 . 1 1 51 51 TRP H H 51 8.125 8.125 7.701 0.424 18225 5211 1 15 . 1 1 52 52 THR N N 52 113.180 113.180 115.992 -2.812 18225 5212 1 15 . 1 1 52 52 THR HA H 52 3.787 3.787 3.110 0.677 18225 5213 1 15 . 1 1 52 52 THR C C 52 176.309 176.309 176.815 -0.506 18225 5214 1 15 . 1 1 52 52 THR CA C 52 66.473 66.473 65.966 0.507 18225 5215 1 15 . 1 1 52 52 THR CB C 52 68.865 68.865 68.020 0.845 18225 5216 1 15 . 1 1 52 52 THR H H 52 8.079 8.079 8.052 0.027 18225 5217 1 15 . 1 1 53 53 VAL N N 53 119.953 119.953 120.616 -0.663 18225 5218 1 15 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.712 -0.064 18225 5219 1 15 . 1 1 53 53 VAL C C 53 177.252 177.252 177.508 -0.256 18225 5220 1 15 . 1 1 53 53 VAL CA C 53 66.086 66.086 64.963 1.123 18225 5221 1 15 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.701 0.003 18225 5222 1 15 . 1 1 53 53 VAL H H 53 7.913 7.913 7.709 0.204 18225 5223 1 15 . 1 1 54 54 PHE N N 54 118.204 118.204 120.756 -2.552 18225 5224 1 15 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.256 -0.009 18225 5225 1 15 . 1 1 54 54 PHE C C 54 177.144 177.144 177.115 0.029 18225 5226 1 15 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.275 -0.821 18225 5227 1 15 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.135 -0.019 18225 5228 1 15 . 1 1 54 54 PHE H H 54 8.030 8.030 8.623 -0.593 18225 5229 1 15 . 1 1 55 55 ARG N N 55 117.725 117.725 118.248 -0.523 18225 5230 1 15 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.184 -0.300 18225 5231 1 15 . 1 1 55 55 ARG C C 55 177.443 177.443 177.097 0.346 18225 5232 1 15 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.998 -0.444 18225 5233 1 15 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.835 -0.028 18225 5234 1 15 . 1 1 55 55 ARG H H 55 8.034 8.034 7.558 0.476 18225 5235 1 15 . 1 1 56 56 LYS N N 56 118.622 118.622 117.646 0.976 18225 5236 1 15 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.406 -0.242 18225 5237 1 15 . 1 1 56 56 LYS C C 56 177.418 177.418 176.360 1.058 18225 5238 1 15 . 1 1 56 56 LYS CA C 56 57.517 57.517 55.649 1.868 18225 5239 1 15 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.619 1.189 18225 5240 1 15 . 1 1 56 56 LYS H H 56 7.804 7.804 7.478 0.326 18225 5241 1 15 . 1 1 57 57 LYS N N 57 118.937 118.937 119.936 -0.999 18225 5242 1 15 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.797 0.461 18225 5243 1 15 . 1 1 57 57 LYS C C 57 177.029 177.029 177.037 -0.008 18225 5244 1 15 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.472 -1.863 18225 5245 1 15 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.383 0.494 18225 5246 1 15 . 1 1 57 57 LYS H H 57 7.974 7.974 7.528 0.446 18225 5247 1 15 . 1 1 58 58 GLY N N 58 107.785 107.785 105.205 2.580 18225 5248 1 15 . 1 1 58 58 GLY C C 58 173.543 173.543 174.033 -0.490 18225 5249 1 15 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.571 0.902 18225 5250 1 15 . 1 1 58 58 GLY H H 58 8.136 8.136 8.322 -0.186 18225 5251 1 15 . 1 1 59 59 HIS N N 59 117.024 117.024 116.537 0.487 18225 5252 1 15 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.919 -0.297 18225 5253 1 15 . 1 1 59 59 HIS C C 59 174.183 174.183 174.769 -0.586 18225 5254 1 15 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.374 -0.093 18225 5255 1 15 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.653 -1.572 18225 5256 1 15 . 1 1 59 59 HIS H H 59 8.163 8.163 8.079 0.084 18225 5257 1 15 . 1 1 60 60 HIS N N 60 118.841 118.841 118.165 0.676 18225 5258 1 15 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.928 -0.298 18225 5259 1 15 . 1 1 60 60 HIS C C 60 174.157 174.157 173.831 0.326 18225 5260 1 15 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.841 -0.501 18225 5261 1 15 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.761 -2.657 18225 5262 1 15 . 1 1 60 60 HIS H H 60 8.507 8.507 8.130 0.377 18225 5263 1 15 . 1 1 61 61 HIS N N 61 119.636 119.636 118.594 1.042 18225 5264 1 15 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.345 0.309 18225 5265 1 15 . 1 1 61 61 HIS C C 61 174.095 174.095 175.694 -1.599 18225 5266 1 15 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.920 -1.591 18225 5267 1 15 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.511 -1.277 18225 5268 1 15 . 1 1 61 61 HIS H H 61 8.613 8.613 8.424 0.189 18225 5269 1 15 . 1 1 62 62 HIS N N 62 120.286 120.286 116.458 3.828 18225 5270 1 15 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.360 0.300 18225 5271 1 15 . 1 1 62 62 HIS C C 62 173.928 173.928 174.192 -0.264 18225 5272 1 15 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.885 -0.529 18225 5273 1 15 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.604 -1.275 18225 5274 1 15 . 1 1 62 62 HIS H H 62 8.680 8.680 8.238 0.442 18225 5275 1 15 . 1 1 63 63 HIS N N 63 120.408 120.408 114.631 5.777 18225 5276 1 15 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.549 0.100 18225 5277 1 15 . 1 1 63 63 HIS C C 63 173.437 173.437 174.819 -1.382 18225 5278 1 15 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.242 0.322 18225 5279 1 15 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.902 0.581 18225 5280 1 15 . 1 1 63 63 HIS H H 63 8.541 8.541 8.088 0.453 18225 5281 1 16 . 1 1 2 2 GLU N N 2 123.432 123.432 122.731 0.701 18225 5282 1 16 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.537 -0.128 18225 5283 1 16 . 1 1 2 2 GLU C C 2 175.510 175.510 175.541 -0.031 18225 5284 1 16 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.490 -0.274 18225 5285 1 16 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.630 -1.091 18225 5286 1 16 . 1 1 2 2 GLU H H 2 8.824 8.824 8.541 0.283 18225 5287 1 16 . 1 1 3 3 GLU N N 3 121.813 121.813 119.578 2.235 18225 5288 1 16 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.197 0.181 18225 5289 1 16 . 1 1 3 3 GLU C C 3 176.299 176.299 176.419 -0.120 18225 5290 1 16 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.181 -0.888 18225 5291 1 16 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.066 -0.614 18225 5292 1 16 . 1 1 3 3 GLU H H 3 8.546 8.546 8.160 0.386 18225 5293 1 16 . 1 1 4 4 GLY N N 4 109.619 109.619 110.911 -1.292 18225 5294 1 16 . 1 1 4 4 GLY C C 4 174.449 174.449 175.052 -0.603 18225 5295 1 16 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.268 0.262 18225 5296 1 16 . 1 1 4 4 GLY H H 4 8.463 8.463 8.794 -0.331 18225 5297 1 16 . 1 1 5 5 GLY N N 5 108.241 108.241 108.823 -0.582 18225 5298 1 16 . 1 1 5 5 GLY C C 5 173.965 173.965 175.178 -1.213 18225 5299 1 16 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.136 0.316 18225 5300 1 16 . 1 1 5 5 GLY H H 5 8.220 8.220 8.013 0.207 18225 5301 1 16 . 1 1 6 6 ASP N N 6 119.184 119.184 118.579 0.605 18225 5302 1 16 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.485 0.113 18225 5303 1 16 . 1 1 6 6 ASP C C 6 175.801 175.801 175.636 0.165 18225 5304 1 16 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.789 -0.877 18225 5305 1 16 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.685 -1.350 18225 5306 1 16 . 1 1 6 6 ASP H H 6 8.329 8.329 8.335 -0.006 18225 5307 1 16 . 1 1 7 7 PHE N N 7 119.589 119.589 118.350 1.239 18225 5308 1 16 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.410 0.070 18225 5309 1 16 . 1 1 7 7 PHE C C 7 175.881 175.881 174.255 1.626 18225 5310 1 16 . 1 1 7 7 PHE CA C 7 58.821 58.821 59.001 -0.180 18225 5311 1 16 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.857 -0.775 18225 5312 1 16 . 1 1 7 7 PHE H H 7 8.342 8.342 7.536 0.806 18225 5313 1 16 . 1 1 8 8 ASP N N 8 118.430 118.430 120.690 -2.260 18225 5314 1 16 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.320 0.136 18225 5315 1 16 . 1 1 8 8 ASP C C 8 175.642 175.642 173.962 1.680 18225 5316 1 16 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.256 0.347 18225 5317 1 16 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.186 -2.602 18225 5318 1 16 . 1 1 8 8 ASP H H 8 8.223 8.223 8.691 -0.468 18225 5319 1 16 . 1 1 9 9 ASN N N 9 117.097 117.097 118.258 -1.161 18225 5320 1 16 . 1 1 9 9 ASN HA H 9 4.559 4.559 3.359 1.200 18225 5321 1 16 . 1 1 9 9 ASN C C 9 175.264 175.264 175.140 0.124 18225 5322 1 16 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.512 0.332 18225 5323 1 16 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.246 0.469 18225 5324 1 16 . 1 1 9 9 ASN H H 9 8.069 8.069 8.178 -0.109 18225 5325 1 16 . 1 1 10 10 TYR N N 10 119.007 119.007 113.792 5.215 18225 5326 1 16 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.210 0.139 18225 5327 1 16 . 1 1 10 10 TYR C C 10 175.387 175.387 175.727 -0.340 18225 5328 1 16 . 1 1 10 10 TYR CA C 10 59.194 59.194 59.214 -0.020 18225 5329 1 16 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.574 2.254 18225 5330 1 16 . 1 1 10 10 TYR H H 10 7.901 7.901 7.487 0.414 18225 5331 1 16 . 1 1 11 11 TYR N N 11 117.992 117.992 119.847 -1.855 18225 5332 1 16 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.258 0.185 18225 5333 1 16 . 1 1 11 11 TYR C C 11 175.765 175.765 176.200 -0.435 18225 5334 1 16 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.896 -0.524 18225 5335 1 16 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.727 1.067 18225 5336 1 16 . 1 1 11 11 TYR H H 11 7.885 7.885 8.394 -0.509 18225 5337 1 16 . 1 1 12 12 GLY N N 12 108.601 108.601 109.345 -0.744 18225 5338 1 16 . 1 1 12 12 GLY C C 12 173.934 173.934 174.671 -0.737 18225 5339 1 16 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.524 -0.035 18225 5340 1 16 . 1 1 12 12 GLY H H 12 7.861 7.861 8.891 -1.030 18225 5341 1 16 . 1 1 13 13 ALA N N 13 122.926 122.926 121.706 1.220 18225 5342 1 16 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.986 0.293 18225 5343 1 16 . 1 1 13 13 ALA C C 13 177.457 177.457 178.359 -0.902 18225 5344 1 16 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.457 -0.675 18225 5345 1 16 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.829 0.618 18225 5346 1 16 . 1 1 13 13 ALA H H 13 7.985 7.985 8.239 -0.254 18225 5347 1 16 . 1 1 14 14 ASP N N 14 117.380 117.380 117.847 -0.467 18225 5348 1 16 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.312 0.328 18225 5349 1 16 . 1 1 14 14 ASP C C 14 175.428 175.428 178.245 -2.817 18225 5350 1 16 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.578 -2.906 18225 5351 1 16 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.757 -0.392 18225 5352 1 16 . 1 1 14 14 ASP H H 14 8.330 8.330 8.542 -0.212 18225 5353 1 16 . 1 1 15 15 ASN N N 15 118.465 118.465 118.755 -0.290 18225 5354 1 16 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.455 0.184 18225 5355 1 16 . 1 1 15 15 ASN C C 15 175.467 175.467 176.684 -1.217 18225 5356 1 16 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.334 -1.677 18225 5357 1 16 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.473 0.495 18225 5358 1 16 . 1 1 15 15 ASN H H 15 8.207 8.207 7.682 0.525 18225 5359 1 16 . 1 1 16 16 GLN N N 16 119.741 119.741 118.112 1.629 18225 5360 1 16 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.482 -0.167 18225 5361 1 16 . 1 1 16 16 GLN C C 16 176.350 176.350 174.586 1.764 18225 5362 1 16 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.211 1.429 18225 5363 1 16 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.362 0.734 18225 5364 1 16 . 1 1 16 16 GLN H H 16 8.292 8.292 7.671 0.621 18225 5365 1 16 . 1 1 17 17 SER N N 17 115.772 115.772 113.834 1.938 18225 5366 1 16 . 1 1 17 17 SER HA H 17 4.390 4.390 4.628 -0.238 18225 5367 1 16 . 1 1 17 17 SER C C 17 174.799 174.799 173.448 1.351 18225 5368 1 16 . 1 1 17 17 SER CA C 17 59.165 59.165 57.855 1.310 18225 5369 1 16 . 1 1 17 17 SER CB C 17 63.651 63.651 65.392 -1.741 18225 5370 1 16 . 1 1 17 17 SER H H 17 8.224 8.224 7.905 0.319 18225 5371 1 16 . 1 1 18 18 GLU N N 18 121.211 121.211 124.575 -3.364 18225 5372 1 16 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.234 0.084 18225 5373 1 16 . 1 1 18 18 GLU C C 18 176.201 176.201 176.389 -0.188 18225 5374 1 16 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.577 -0.852 18225 5375 1 16 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.821 0.144 18225 5376 1 16 . 1 1 18 18 GLU H H 18 8.285 8.285 8.705 -0.420 18225 5377 1 16 . 1 1 19 19 CYS N N 19 118.653 118.653 124.200 -5.547 18225 5378 1 16 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.487 -0.064 18225 5379 1 16 . 1 1 19 19 CYS C C 19 174.698 174.698 174.816 -0.118 18225 5380 1 16 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.188 -0.112 18225 5381 1 16 . 1 1 19 19 CYS CB C 19 27.850 27.850 27.399 0.451 18225 5382 1 16 . 1 1 19 19 CYS H H 19 8.202 8.202 8.617 -0.415 18225 5383 1 16 . 1 1 20 20 GLU N N 20 121.851 121.851 118.689 3.162 18225 5384 1 16 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.312 -0.047 18225 5385 1 16 . 1 1 20 20 GLU C C 20 176.100 176.100 175.751 0.349 18225 5386 1 16 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.610 0.212 18225 5387 1 16 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.739 -0.763 18225 5388 1 16 . 1 1 20 20 GLU H H 20 8.349 8.349 8.036 0.313 18225 5389 1 16 . 1 1 21 21 TYR N N 21 118.491 118.491 122.403 -3.912 18225 5390 1 16 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.696 -0.278 18225 5391 1 16 . 1 1 21 21 TYR C C 21 175.881 175.881 175.854 0.027 18225 5392 1 16 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.965 -0.234 18225 5393 1 16 . 1 1 21 21 TYR CB C 21 38.626 38.626 36.308 2.318 18225 5394 1 16 . 1 1 21 21 TYR H H 21 7.974 7.974 8.314 -0.340 18225 5395 1 16 . 1 1 22 22 THR N N 22 112.161 112.161 114.931 -2.770 18225 5396 1 16 . 1 1 22 22 THR HA H 22 4.105 4.105 4.315 -0.210 18225 5397 1 16 . 1 1 22 22 THR C C 22 174.666 174.666 174.990 -0.324 18225 5398 1 16 . 1 1 22 22 THR CA C 22 63.190 63.190 63.335 -0.145 18225 5399 1 16 . 1 1 22 22 THR CB C 22 69.306 69.306 69.006 0.300 18225 5400 1 16 . 1 1 22 22 THR H H 22 7.747 7.747 9.094 -1.347 18225 5401 1 16 . 1 1 23 23 ASP N N 23 120.529 120.529 121.913 -1.384 18225 5402 1 16 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.617 0.037 18225 5403 1 16 . 1 1 23 23 ASP C C 23 176.119 176.119 176.499 -0.380 18225 5404 1 16 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.616 -2.713 18225 5405 1 16 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.459 -2.321 18225 5406 1 16 . 1 1 23 23 ASP H H 23 8.114 8.114 8.175 -0.061 18225 5407 1 16 . 1 1 24 24 TRP N N 24 121.466 121.466 117.171 4.295 18225 5408 1 16 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.794 -0.318 18225 5409 1 16 . 1 1 24 24 TRP C C 24 176.578 176.578 175.731 0.847 18225 5410 1 16 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.704 1.607 18225 5411 1 16 . 1 1 24 24 TRP CB C 24 29.186 29.186 30.107 -0.921 18225 5412 1 16 . 1 1 24 24 TRP H H 24 8.034 8.034 7.548 0.486 18225 5413 1 16 . 1 1 25 25 LYS N N 25 119.430 119.430 121.173 -1.743 18225 5414 1 16 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.930 1.115 18225 5415 1 16 . 1 1 25 25 LYS C C 25 176.798 176.798 174.470 2.328 18225 5416 1 16 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.589 1.172 18225 5417 1 16 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.255 1.154 18225 5418 1 16 . 1 1 25 25 LYS H H 25 7.880 7.880 6.943 0.937 18225 5419 1 16 . 1 1 26 26 SER N N 26 113.780 113.780 110.420 3.360 18225 5420 1 16 . 1 1 26 26 SER HA H 26 4.461 4.461 4.291 0.170 18225 5421 1 16 . 1 1 26 26 SER C C 26 174.957 174.957 174.433 0.524 18225 5422 1 16 . 1 1 26 26 SER CA C 26 58.760 58.760 58.620 0.140 18225 5423 1 16 . 1 1 26 26 SER CB C 26 63.889 63.889 63.171 0.718 18225 5424 1 16 . 1 1 26 26 SER H H 26 7.893 7.893 6.740 1.153 18225 5425 1 16 . 1 1 27 27 SER N N 27 116.730 116.730 120.577 -3.847 18225 5426 1 16 . 1 1 27 27 SER HA H 27 4.328 4.328 4.628 -0.300 18225 5427 1 16 . 1 1 27 27 SER C C 27 175.563 175.563 174.858 0.705 18225 5428 1 16 . 1 1 27 27 SER CA C 27 59.856 59.856 57.874 1.982 18225 5429 1 16 . 1 1 27 27 SER CB C 27 63.819 63.819 62.423 1.395 18225 5430 1 16 . 1 1 27 27 SER H H 27 8.137 8.137 8.883 -0.746 18225 5431 1 16 . 1 1 28 28 GLY N N 28 110.734 110.734 109.472 1.262 18225 5432 1 16 . 1 1 28 28 GLY C C 28 174.314 174.314 173.872 0.442 18225 5433 1 16 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.670 1.455 18225 5434 1 16 . 1 1 28 28 GLY H H 28 8.477 8.477 7.870 0.607 18225 5435 1 16 . 1 1 29 29 ALA N N 29 121.690 121.690 120.745 0.945 18225 5436 1 16 . 1 1 29 29 ALA HA H 29 4.289 4.289 3.980 0.309 18225 5437 1 16 . 1 1 29 29 ALA C C 29 177.330 177.330 176.728 0.602 18225 5438 1 16 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.497 -0.323 18225 5439 1 16 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.344 2.540 18225 5440 1 16 . 1 1 29 29 ALA H H 29 8.189 8.189 8.246 -0.057 18225 5441 1 16 . 1 1 30 30 LEU N N 30 117.292 117.292 113.374 3.918 18225 5442 1 16 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.603 -0.524 18225 5443 1 16 . 1 1 30 30 LEU C C 30 177.377 177.377 177.652 -0.275 18225 5444 1 16 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.829 3.405 18225 5445 1 16 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.769 -0.355 18225 5446 1 16 . 1 1 30 30 LEU H H 30 7.873 7.873 7.795 0.078 18225 5447 1 16 . 1 1 31 31 ILE N N 31 116.517 116.517 120.163 -3.646 18225 5448 1 16 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.243 -0.360 18225 5449 1 16 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.339 0.927 18225 5450 1 16 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.410 -0.653 18225 5451 1 16 . 1 1 31 31 ILE H H 31 8.262 8.262 8.087 0.175 18225 5452 1 16 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.618 -0.406 18225 5453 1 16 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.126 2.867 18225 5454 1 16 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.601 0.391 18225 5455 1 16 . 1 1 33 33 ALA N N 33 118.208 118.208 120.033 -1.825 18225 5456 1 16 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.444 -0.378 18225 5457 1 16 . 1 1 33 33 ALA C C 33 178.814 178.814 177.820 0.994 18225 5458 1 16 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.396 2.293 18225 5459 1 16 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.271 -1.892 18225 5460 1 16 . 1 1 33 33 ALA H H 33 7.613 7.613 7.481 0.132 18225 5461 1 16 . 1 1 34 34 ILE N N 34 117.730 117.730 116.761 0.969 18225 5462 1 16 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.221 -0.556 18225 5463 1 16 . 1 1 34 34 ILE C C 34 177.826 177.826 176.764 1.062 18225 5464 1 16 . 1 1 34 34 ILE CA C 34 65.154 65.154 62.847 2.307 18225 5465 1 16 . 1 1 34 34 ILE CB C 34 37.283 37.283 39.725 -2.442 18225 5466 1 16 . 1 1 34 34 ILE H H 34 8.259 8.259 7.610 0.649 18225 5467 1 16 . 1 1 35 35 TYR N N 35 118.693 118.693 120.145 -1.452 18225 5468 1 16 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.343 -0.250 18225 5469 1 16 . 1 1 35 35 TYR C C 35 177.885 177.885 176.541 1.344 18225 5470 1 16 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.410 0.228 18225 5471 1 16 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.310 -1.386 18225 5472 1 16 . 1 1 35 35 TYR H H 35 8.347 8.347 8.084 0.263 18225 5473 1 16 . 1 1 36 36 MET N N 36 117.356 117.356 119.605 -2.249 18225 5474 1 16 . 1 1 36 36 MET HA H 36 4.220 4.220 4.423 -0.203 18225 5475 1 16 . 1 1 36 36 MET C C 36 177.903 177.903 177.616 0.287 18225 5476 1 16 . 1 1 36 36 MET CA C 36 58.653 58.653 58.652 0.001 18225 5477 1 16 . 1 1 36 36 MET CB C 36 32.172 32.172 32.703 -0.531 18225 5478 1 16 . 1 1 36 36 MET H H 36 8.252 8.252 7.958 0.294 18225 5479 1 16 . 1 1 37 37 LEU N N 37 119.978 119.978 118.886 1.092 18225 5480 1 16 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.102 -0.074 18225 5481 1 16 . 1 1 37 37 LEU C C 37 178.393 178.393 177.538 0.855 18225 5482 1 16 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.294 1.348 18225 5483 1 16 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.466 0.523 18225 5484 1 16 . 1 1 37 37 LEU H H 37 8.301 8.301 8.255 0.046 18225 5485 1 16 . 1 1 38 38 VAL N N 38 117.991 117.991 115.313 2.678 18225 5486 1 16 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.996 -0.494 18225 5487 1 16 . 1 1 38 38 VAL C C 38 177.962 177.962 176.113 1.849 18225 5488 1 16 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.376 3.779 18225 5489 1 16 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.953 -0.538 18225 5490 1 16 . 1 1 38 38 VAL H H 38 8.414 8.414 7.409 1.005 18225 5491 1 16 . 1 1 39 39 PHE N N 39 119.830 119.830 121.565 -1.735 18225 5492 1 16 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.484 -0.306 18225 5493 1 16 . 1 1 39 39 PHE C C 39 178.233 178.233 174.952 3.281 18225 5494 1 16 . 1 1 39 39 PHE CA C 39 61.503 61.503 59.858 1.645 18225 5495 1 16 . 1 1 39 39 PHE CB C 39 39.058 39.058 41.171 -2.113 18225 5496 1 16 . 1 1 39 39 PHE H H 39 8.337 8.337 8.331 0.006 18225 5497 1 16 . 1 1 40 40 LEU N N 40 119.985 119.985 117.517 2.468 18225 5498 1 16 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.119 -0.153 18225 5499 1 16 . 1 1 40 40 LEU C C 40 179.279 179.279 176.654 2.625 18225 5500 1 16 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.697 2.175 18225 5501 1 16 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.242 0.145 18225 5502 1 16 . 1 1 40 40 LEU H H 40 8.603 8.603 7.504 1.099 18225 5503 1 16 . 1 1 41 41 LEU N N 41 118.649 118.649 116.342 2.307 18225 5504 1 16 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.393 -0.349 18225 5505 1 16 . 1 1 41 41 LEU C C 41 178.670 178.670 177.639 1.031 18225 5506 1 16 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.783 2.900 18225 5507 1 16 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.486 -0.555 18225 5508 1 16 . 1 1 41 41 LEU H H 41 8.486 8.486 7.441 1.045 18225 5509 1 16 . 1 1 42 42 GLY N N 42 105.262 105.262 107.449 -2.187 18225 5510 1 16 . 1 1 42 42 GLY C C 42 174.814 174.814 175.060 -0.246 18225 5511 1 16 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.236 0.169 18225 5512 1 16 . 1 1 42 42 GLY H H 42 8.289 8.289 8.158 0.131 18225 5513 1 16 . 1 1 43 43 THR N N 43 111.955 111.955 113.073 -1.118 18225 5514 1 16 . 1 1 43 43 THR HA H 43 4.243 4.243 4.481 -0.238 18225 5515 1 16 . 1 1 43 43 THR C C 43 175.888 175.888 175.609 0.279 18225 5516 1 16 . 1 1 43 43 THR CA C 43 63.505 63.505 63.326 0.179 18225 5517 1 16 . 1 1 43 43 THR CB C 43 69.598 69.598 69.195 0.403 18225 5518 1 16 . 1 1 43 43 THR H H 43 7.891 7.891 7.689 0.202 18225 5519 1 16 . 1 1 44 44 THR N N 44 111.997 111.997 119.029 -7.032 18225 5520 1 16 . 1 1 44 44 THR HA H 44 4.320 4.320 4.063 0.257 18225 5521 1 16 . 1 1 44 44 THR C C 44 175.543 175.543 176.165 -0.622 18225 5522 1 16 . 1 1 44 44 THR CA C 44 63.009 63.009 65.615 -2.606 18225 5523 1 16 . 1 1 44 44 THR CB C 44 69.881 69.881 68.568 1.313 18225 5524 1 16 . 1 1 44 44 THR H H 44 7.740 7.740 7.986 -0.246 18225 5525 1 16 . 1 1 45 45 GLY N N 45 109.564 109.564 109.155 0.409 18225 5526 1 16 . 1 1 45 45 GLY C C 45 174.928 174.928 174.392 0.536 18225 5527 1 16 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.572 0.848 18225 5528 1 16 . 1 1 45 45 GLY H H 45 8.243 8.243 8.126 0.117 18225 5529 1 16 . 1 1 46 46 ASN N N 46 117.851 117.851 117.389 0.462 18225 5530 1 16 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.802 -0.085 18225 5531 1 16 . 1 1 46 46 ASN C C 46 176.127 176.127 174.063 2.064 18225 5532 1 16 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.499 1.115 18225 5533 1 16 . 1 1 46 46 ASN CB C 46 39.311 39.311 40.210 -0.899 18225 5534 1 16 . 1 1 46 46 ASN H H 46 8.170 8.170 7.824 0.346 18225 5535 1 16 . 1 1 47 47 GLY N N 47 108.287 108.287 110.630 -2.343 18225 5536 1 16 . 1 1 47 47 GLY C C 47 174.612 174.612 174.752 -0.140 18225 5537 1 16 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.199 2.042 18225 5538 1 16 . 1 1 47 47 GLY H H 47 8.663 8.663 8.541 0.122 18225 5539 1 16 . 1 1 48 48 LEU N N 48 120.479 120.479 121.472 -0.993 18225 5540 1 16 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.668 -0.400 18225 5541 1 16 . 1 1 48 48 LEU C C 48 179.407 179.407 177.194 2.213 18225 5542 1 16 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.352 1.240 18225 5543 1 16 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.439 -0.701 18225 5544 1 16 . 1 1 48 48 LEU H H 48 8.149 8.149 8.329 -0.180 18225 5545 1 16 . 1 1 49 49 VAL N N 49 119.968 119.968 117.464 2.504 18225 5546 1 16 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.871 -0.055 18225 5547 1 16 . 1 1 49 49 VAL C C 49 177.444 177.444 175.789 1.655 18225 5548 1 16 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.882 2.061 18225 5549 1 16 . 1 1 49 49 VAL CB C 49 31.678 31.678 30.795 0.883 18225 5550 1 16 . 1 1 49 49 VAL H H 49 7.969 7.969 7.967 0.002 18225 5551 1 16 . 1 1 50 50 LEU N N 50 119.329 119.329 118.723 0.606 18225 5552 1 16 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.551 -0.539 18225 5553 1 16 . 1 1 50 50 LEU C C 50 178.085 178.085 177.473 0.612 18225 5554 1 16 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.853 2.064 18225 5555 1 16 . 1 1 50 50 LEU CB C 50 41.706 41.706 43.529 -1.823 18225 5556 1 16 . 1 1 50 50 LEU H H 50 7.814 7.814 7.515 0.299 18225 5557 1 16 . 1 1 51 51 TRP N N 51 118.186 118.186 122.188 -4.002 18225 5558 1 16 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.692 -0.203 18225 5559 1 16 . 1 1 51 51 TRP C C 51 177.377 177.377 177.911 -0.534 18225 5560 1 16 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.503 -0.445 18225 5561 1 16 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.033 -0.252 18225 5562 1 16 . 1 1 51 51 TRP H H 51 8.125 8.125 7.642 0.483 18225 5563 1 16 . 1 1 52 52 THR N N 52 113.180 113.180 117.009 -3.829 18225 5564 1 16 . 1 1 52 52 THR HA H 52 3.787 3.787 2.659 1.128 18225 5565 1 16 . 1 1 52 52 THR C C 52 176.309 176.309 176.188 0.121 18225 5566 1 16 . 1 1 52 52 THR CA C 52 66.473 66.473 65.618 0.855 18225 5567 1 16 . 1 1 52 52 THR CB C 52 68.865 68.865 67.635 1.230 18225 5568 1 16 . 1 1 52 52 THR H H 52 8.079 8.079 7.877 0.202 18225 5569 1 16 . 1 1 53 53 VAL N N 53 119.953 119.953 120.632 -0.679 18225 5570 1 16 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.732 -0.084 18225 5571 1 16 . 1 1 53 53 VAL C C 53 177.252 177.252 177.073 0.179 18225 5572 1 16 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.021 1.065 18225 5573 1 16 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.283 0.421 18225 5574 1 16 . 1 1 53 53 VAL H H 53 7.913 7.913 7.618 0.295 18225 5575 1 16 . 1 1 54 54 PHE N N 54 118.204 118.204 120.346 -2.142 18225 5576 1 16 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.067 0.180 18225 5577 1 16 . 1 1 54 54 PHE C C 54 177.144 177.144 177.437 -0.293 18225 5578 1 16 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.699 -1.245 18225 5579 1 16 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.197 -0.081 18225 5580 1 16 . 1 1 54 54 PHE H H 54 8.030 8.030 8.599 -0.569 18225 5581 1 16 . 1 1 55 55 ARG N N 55 117.725 117.725 116.312 1.413 18225 5582 1 16 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.244 -0.360 18225 5583 1 16 . 1 1 55 55 ARG C C 55 177.443 177.443 177.890 -0.447 18225 5584 1 16 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.350 0.204 18225 5585 1 16 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.455 0.352 18225 5586 1 16 . 1 1 55 55 ARG H H 55 8.034 8.034 7.756 0.278 18225 5587 1 16 . 1 1 56 56 LYS N N 56 118.622 118.622 120.921 -2.299 18225 5588 1 16 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.085 0.079 18225 5589 1 16 . 1 1 56 56 LYS C C 56 177.418 177.418 177.881 -0.463 18225 5590 1 16 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.929 0.588 18225 5591 1 16 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.599 1.209 18225 5592 1 16 . 1 1 56 56 LYS H H 56 7.804 7.804 7.522 0.282 18225 5593 1 16 . 1 1 57 57 LYS N N 57 118.937 118.937 118.663 0.274 18225 5594 1 16 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.861 0.397 18225 5595 1 16 . 1 1 57 57 LYS C C 57 177.029 177.029 177.666 -0.637 18225 5596 1 16 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.636 -2.026 18225 5597 1 16 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.418 0.460 18225 5598 1 16 . 1 1 57 57 LYS H H 57 7.974 7.974 7.495 0.479 18225 5599 1 16 . 1 1 58 58 GLY N N 58 107.785 107.785 105.870 1.915 18225 5600 1 16 . 1 1 58 58 GLY C C 58 173.543 173.543 175.260 -1.717 18225 5601 1 16 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.475 -1.002 18225 5602 1 16 . 1 1 58 58 GLY H H 58 8.136 8.136 7.538 0.598 18225 5603 1 16 . 1 1 59 59 HIS N N 59 117.024 117.024 120.382 -3.358 18225 5604 1 16 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.121 0.501 18225 5605 1 16 . 1 1 59 59 HIS C C 59 174.183 174.183 175.611 -1.428 18225 5606 1 16 . 1 1 59 59 HIS CA C 59 55.281 55.281 58.626 -3.345 18225 5607 1 16 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.069 0.012 18225 5608 1 16 . 1 1 59 59 HIS H H 59 8.163 8.163 8.189 -0.026 18225 5609 1 16 . 1 1 60 60 HIS N N 60 118.841 118.841 117.438 1.403 18225 5610 1 16 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.683 -0.053 18225 5611 1 16 . 1 1 60 60 HIS C C 60 174.157 174.157 174.152 0.005 18225 5612 1 16 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.784 -0.444 18225 5613 1 16 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.634 -2.530 18225 5614 1 16 . 1 1 60 60 HIS H H 60 8.507 8.507 8.699 -0.192 18225 5615 1 16 . 1 1 61 61 HIS N N 61 119.636 119.636 118.107 1.529 18225 5616 1 16 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.259 0.395 18225 5617 1 16 . 1 1 61 61 HIS C C 61 174.095 174.095 174.553 -0.458 18225 5618 1 16 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.638 -1.308 18225 5619 1 16 . 1 1 61 61 HIS CB C 61 29.234 29.234 29.220 0.014 18225 5620 1 16 . 1 1 61 61 HIS H H 61 8.613 8.613 8.316 0.297 18225 5621 1 16 . 1 1 62 62 HIS N N 62 120.286 120.286 121.318 -1.032 18225 5622 1 16 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.494 0.166 18225 5623 1 16 . 1 1 62 62 HIS C C 62 173.928 173.928 174.389 -0.461 18225 5624 1 16 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.983 -1.627 18225 5625 1 16 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.700 -1.371 18225 5626 1 16 . 1 1 62 62 HIS H H 62 8.680 8.680 8.532 0.148 18225 5627 1 16 . 1 1 63 63 HIS N N 63 120.408 120.408 118.522 1.886 18225 5628 1 16 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.707 -0.058 18225 5629 1 16 . 1 1 63 63 HIS C C 63 173.437 173.437 174.018 -0.581 18225 5630 1 16 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.117 0.447 18225 5631 1 16 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.888 0.595 18225 5632 1 16 . 1 1 63 63 HIS H H 63 8.541 8.541 8.801 -0.260 18225 5633 1 17 . 1 1 2 2 GLU N N 2 123.432 123.432 120.168 3.264 18225 5634 1 17 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.034 0.375 18225 5635 1 17 . 1 1 2 2 GLU C C 2 175.510 175.510 175.473 0.037 18225 5636 1 17 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.659 -0.443 18225 5637 1 17 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.272 0.266 18225 5638 1 17 . 1 1 2 2 GLU H H 2 8.824 8.824 8.534 0.290 18225 5639 1 17 . 1 1 3 3 GLU N N 3 121.813 121.813 119.075 2.738 18225 5640 1 17 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.117 0.261 18225 5641 1 17 . 1 1 3 3 GLU C C 3 176.299 176.299 176.760 -0.461 18225 5642 1 17 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.203 -0.910 18225 5643 1 17 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.994 -0.542 18225 5644 1 17 . 1 1 3 3 GLU H H 3 8.546 8.546 8.402 0.144 18225 5645 1 17 . 1 1 4 4 GLY N N 4 109.619 109.619 109.142 0.477 18225 5646 1 17 . 1 1 4 4 GLY C C 4 174.449 174.449 174.301 0.148 18225 5647 1 17 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.883 0.647 18225 5648 1 17 . 1 1 4 4 GLY H H 4 8.463 8.463 8.462 0.001 18225 5649 1 17 . 1 1 5 5 GLY N N 5 108.241 108.241 111.945 -3.704 18225 5650 1 17 . 1 1 5 5 GLY C C 5 173.965 173.965 175.435 -1.470 18225 5651 1 17 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.753 -0.301 18225 5652 1 17 . 1 1 5 5 GLY H H 5 8.220 8.220 8.304 -0.084 18225 5653 1 17 . 1 1 6 6 ASP N N 6 119.184 119.184 125.991 -6.807 18225 5654 1 17 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.775 -0.177 18225 5655 1 17 . 1 1 6 6 ASP C C 6 175.801 175.801 176.073 -0.272 18225 5656 1 17 . 1 1 6 6 ASP CA C 6 53.912 53.912 53.241 0.671 18225 5657 1 17 . 1 1 6 6 ASP CB C 6 39.335 39.335 39.699 -0.364 18225 5658 1 17 . 1 1 6 6 ASP H H 6 8.329 8.329 8.077 0.252 18225 5659 1 17 . 1 1 7 7 PHE N N 7 119.589 119.589 116.863 2.726 18225 5660 1 17 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.055 0.425 18225 5661 1 17 . 1 1 7 7 PHE C C 7 175.881 175.881 175.162 0.719 18225 5662 1 17 . 1 1 7 7 PHE CA C 7 58.821 58.821 59.166 -0.346 18225 5663 1 17 . 1 1 7 7 PHE CB C 7 39.082 39.082 37.848 1.234 18225 5664 1 17 . 1 1 7 7 PHE H H 7 8.342 8.342 8.092 0.250 18225 5665 1 17 . 1 1 8 8 ASP N N 8 118.430 118.430 119.004 -0.574 18225 5666 1 17 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.361 0.095 18225 5667 1 17 . 1 1 8 8 ASP C C 8 175.642 175.642 175.665 -0.023 18225 5668 1 17 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.849 -1.246 18225 5669 1 17 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.067 -2.483 18225 5670 1 17 . 1 1 8 8 ASP H H 8 8.223 8.223 7.900 0.323 18225 5671 1 17 . 1 1 9 9 ASN N N 9 117.097 117.097 123.776 -6.679 18225 5672 1 17 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.117 0.442 18225 5673 1 17 . 1 1 9 9 ASN C C 9 175.264 175.264 174.478 0.786 18225 5674 1 17 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.555 1.289 18225 5675 1 17 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.981 -0.266 18225 5676 1 17 . 1 1 9 9 ASN H H 9 8.069 8.069 8.623 -0.554 18225 5677 1 17 . 1 1 10 10 TYR N N 10 119.007 119.007 118.477 0.530 18225 5678 1 17 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.152 0.197 18225 5679 1 17 . 1 1 10 10 TYR C C 10 175.387 175.387 176.047 -0.660 18225 5680 1 17 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.428 -1.234 18225 5681 1 17 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.721 2.107 18225 5682 1 17 . 1 1 10 10 TYR H H 10 7.901 7.901 7.561 0.340 18225 5683 1 17 . 1 1 11 11 TYR N N 11 117.992 117.992 120.033 -2.041 18225 5684 1 17 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.290 0.153 18225 5685 1 17 . 1 1 11 11 TYR C C 11 175.765 175.765 175.960 -0.195 18225 5686 1 17 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.271 -0.899 18225 5687 1 17 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.717 0.077 18225 5688 1 17 . 1 1 11 11 TYR H H 11 7.885 7.885 8.686 -0.801 18225 5689 1 17 . 1 1 12 12 GLY N N 12 108.601 108.601 108.523 0.078 18225 5690 1 17 . 1 1 12 12 GLY C C 12 173.934 173.934 174.973 -1.039 18225 5691 1 17 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.797 -0.308 18225 5692 1 17 . 1 1 12 12 GLY H H 12 7.861 7.861 8.296 -0.435 18225 5693 1 17 . 1 1 13 13 ALA N N 13 122.926 122.926 121.969 0.957 18225 5694 1 17 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.134 0.145 18225 5695 1 17 . 1 1 13 13 ALA C C 13 177.457 177.457 178.602 -1.145 18225 5696 1 17 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.372 -0.590 18225 5697 1 17 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.893 0.554 18225 5698 1 17 . 1 1 13 13 ALA H H 13 7.985 7.985 8.301 -0.316 18225 5699 1 17 . 1 1 14 14 ASP N N 14 117.380 117.380 118.093 -0.713 18225 5700 1 17 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.396 0.244 18225 5701 1 17 . 1 1 14 14 ASP C C 14 175.428 175.428 178.260 -2.832 18225 5702 1 17 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.670 -2.998 18225 5703 1 17 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.548 -1.183 18225 5704 1 17 . 1 1 14 14 ASP H H 14 8.330 8.330 8.641 -0.311 18225 5705 1 17 . 1 1 15 15 ASN N N 15 118.465 118.465 117.677 0.788 18225 5706 1 17 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.458 0.181 18225 5707 1 17 . 1 1 15 15 ASN C C 15 175.467 175.467 175.819 -0.352 18225 5708 1 17 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.340 -1.683 18225 5709 1 17 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.906 0.062 18225 5710 1 17 . 1 1 15 15 ASN H H 15 8.207 8.207 7.676 0.531 18225 5711 1 17 . 1 1 16 16 GLN N N 16 119.741 119.741 115.971 3.770 18225 5712 1 17 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.194 0.121 18225 5713 1 17 . 1 1 16 16 GLN C C 16 176.350 176.350 175.369 0.981 18225 5714 1 17 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.175 1.465 18225 5715 1 17 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.585 0.511 18225 5716 1 17 . 1 1 16 16 GLN H H 16 8.292 8.292 7.664 0.628 18225 5717 1 17 . 1 1 17 17 SER N N 17 115.772 115.772 115.855 -0.083 18225 5718 1 17 . 1 1 17 17 SER HA H 17 4.390 4.390 4.692 -0.302 18225 5719 1 17 . 1 1 17 17 SER C C 17 174.799 174.799 174.125 0.674 18225 5720 1 17 . 1 1 17 17 SER CA C 17 59.165 59.165 56.718 2.447 18225 5721 1 17 . 1 1 17 17 SER CB C 17 63.651 63.651 65.016 -1.365 18225 5722 1 17 . 1 1 17 17 SER H H 17 8.224 8.224 8.059 0.165 18225 5723 1 17 . 1 1 18 18 GLU N N 18 121.211 121.211 121.008 0.203 18225 5724 1 17 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.294 0.024 18225 5725 1 17 . 1 1 18 18 GLU C C 18 176.201 176.201 175.469 0.732 18225 5726 1 17 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.332 -0.607 18225 5727 1 17 . 1 1 18 18 GLU CB C 18 28.965 28.965 27.450 1.515 18225 5728 1 17 . 1 1 18 18 GLU H H 18 8.285 8.285 8.628 -0.343 18225 5729 1 17 . 1 1 19 19 CYS N N 19 118.653 118.653 123.360 -4.707 18225 5730 1 17 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.532 -0.109 18225 5731 1 17 . 1 1 19 19 CYS C C 19 174.698 174.698 173.647 1.051 18225 5732 1 17 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.610 0.465 18225 5733 1 17 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.593 -0.743 18225 5734 1 17 . 1 1 19 19 CYS H H 19 8.202 8.202 8.605 -0.403 18225 5735 1 17 . 1 1 20 20 GLU N N 20 121.851 121.851 118.314 3.537 18225 5736 1 17 . 1 1 20 20 GLU HA H 20 4.265 4.265 3.990 0.275 18225 5737 1 17 . 1 1 20 20 GLU C C 20 176.100 176.100 174.958 1.142 18225 5738 1 17 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.469 -0.647 18225 5739 1 17 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.701 1.275 18225 5740 1 17 . 1 1 20 20 GLU H H 20 8.349 8.349 8.719 -0.370 18225 5741 1 17 . 1 1 21 21 TYR N N 21 118.491 118.491 117.027 1.464 18225 5742 1 17 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.277 -0.859 18225 5743 1 17 . 1 1 21 21 TYR C C 21 175.881 175.881 174.823 1.058 18225 5744 1 17 . 1 1 21 21 TYR CA C 21 58.731 58.731 56.829 1.902 18225 5745 1 17 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.367 0.259 18225 5746 1 17 . 1 1 21 21 TYR H H 21 7.974 7.974 8.029 -0.055 18225 5747 1 17 . 1 1 22 22 THR N N 22 112.161 112.161 113.233 -1.072 18225 5748 1 17 . 1 1 22 22 THR HA H 22 4.105 4.105 4.356 -0.251 18225 5749 1 17 . 1 1 22 22 THR C C 22 174.666 174.666 175.022 -0.356 18225 5750 1 17 . 1 1 22 22 THR CA C 22 63.190 63.190 62.917 0.273 18225 5751 1 17 . 1 1 22 22 THR CB C 22 69.306 69.306 69.285 0.021 18225 5752 1 17 . 1 1 22 22 THR H H 22 7.747 7.747 7.958 -0.211 18225 5753 1 17 . 1 1 23 23 ASP N N 23 120.529 120.529 124.047 -3.518 18225 5754 1 17 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.635 0.019 18225 5755 1 17 . 1 1 23 23 ASP C C 23 176.119 176.119 176.352 -0.233 18225 5756 1 17 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.356 -1.453 18225 5757 1 17 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.047 -0.909 18225 5758 1 17 . 1 1 23 23 ASP H H 23 8.114 8.114 8.828 -0.714 18225 5759 1 17 . 1 1 24 24 TRP N N 24 121.466 121.466 115.270 6.196 18225 5760 1 17 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.860 -0.384 18225 5761 1 17 . 1 1 24 24 TRP C C 24 176.578 176.578 175.162 1.416 18225 5762 1 17 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.249 3.062 18225 5763 1 17 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.669 -0.483 18225 5764 1 17 . 1 1 24 24 TRP H H 24 8.034 8.034 7.481 0.553 18225 5765 1 17 . 1 1 25 25 LYS N N 25 119.430 119.430 123.519 -4.089 18225 5766 1 17 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.269 0.776 18225 5767 1 17 . 1 1 25 25 LYS C C 25 176.798 176.798 177.108 -0.310 18225 5768 1 17 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.602 1.159 18225 5769 1 17 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.275 0.134 18225 5770 1 17 . 1 1 25 25 LYS H H 25 7.880 7.880 7.143 0.737 18225 5771 1 17 . 1 1 26 26 SER N N 26 113.780 113.780 121.117 -7.337 18225 5772 1 17 . 1 1 26 26 SER HA H 26 4.461 4.461 4.161 0.300 18225 5773 1 17 . 1 1 26 26 SER C C 26 174.957 174.957 174.580 0.377 18225 5774 1 17 . 1 1 26 26 SER CA C 26 58.760 58.760 59.815 -1.055 18225 5775 1 17 . 1 1 26 26 SER CB C 26 63.889 63.889 63.275 0.614 18225 5776 1 17 . 1 1 26 26 SER H H 26 7.893 7.893 8.043 -0.150 18225 5777 1 17 . 1 1 27 27 SER N N 27 116.730 116.730 113.833 2.897 18225 5778 1 17 . 1 1 27 27 SER HA H 27 4.328 4.328 4.233 0.095 18225 5779 1 17 . 1 1 27 27 SER C C 27 175.563 175.563 174.069 1.494 18225 5780 1 17 . 1 1 27 27 SER CA C 27 59.856 59.856 59.993 -0.137 18225 5781 1 17 . 1 1 27 27 SER CB C 27 63.819 63.819 62.540 1.279 18225 5782 1 17 . 1 1 27 27 SER H H 27 8.137 8.137 8.546 -0.409 18225 5783 1 17 . 1 1 28 28 GLY N N 28 110.734 110.734 105.970 4.764 18225 5784 1 17 . 1 1 28 28 GLY C C 28 174.314 174.314 173.728 0.586 18225 5785 1 17 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.534 0.591 18225 5786 1 17 . 1 1 28 28 GLY H H 28 8.477 8.477 8.115 0.362 18225 5787 1 17 . 1 1 29 29 ALA N N 29 121.690 121.690 122.079 -0.389 18225 5788 1 17 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.717 -0.428 18225 5789 1 17 . 1 1 29 29 ALA C C 29 177.330 177.330 178.375 -1.045 18225 5790 1 17 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.768 -0.594 18225 5791 1 17 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.553 0.331 18225 5792 1 17 . 1 1 29 29 ALA H H 29 8.189 8.189 8.108 0.081 18225 5793 1 17 . 1 1 30 30 LEU N N 30 117.292 117.292 116.040 1.252 18225 5794 1 17 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.734 -0.655 18225 5795 1 17 . 1 1 30 30 LEU C C 30 177.377 177.377 177.958 -0.581 18225 5796 1 17 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.340 1.894 18225 5797 1 17 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.392 0.021 18225 5798 1 17 . 1 1 30 30 LEU H H 30 7.873 7.873 8.026 -0.153 18225 5799 1 17 . 1 1 31 31 ILE N N 31 116.517 116.517 118.799 -2.282 18225 5800 1 17 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.088 -0.205 18225 5801 1 17 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.140 1.126 18225 5802 1 17 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.200 -0.444 18225 5803 1 17 . 1 1 31 31 ILE H H 31 8.262 8.262 7.975 0.287 18225 5804 1 17 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.627 -0.415 18225 5805 1 17 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.482 2.511 18225 5806 1 17 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.943 0.049 18225 5807 1 17 . 1 1 33 33 ALA N N 33 118.208 118.208 120.255 -2.047 18225 5808 1 17 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.445 -0.379 18225 5809 1 17 . 1 1 33 33 ALA C C 33 178.814 178.814 177.294 1.520 18225 5810 1 17 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.010 2.679 18225 5811 1 17 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.372 -1.993 18225 5812 1 17 . 1 1 33 33 ALA H H 33 7.613 7.613 7.735 -0.122 18225 5813 1 17 . 1 1 34 34 ILE N N 34 117.730 117.730 116.813 0.917 18225 5814 1 17 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.243 -0.578 18225 5815 1 17 . 1 1 34 34 ILE C C 34 177.826 177.826 176.340 1.486 18225 5816 1 17 . 1 1 34 34 ILE CA C 34 65.154 65.154 62.251 2.903 18225 5817 1 17 . 1 1 34 34 ILE CB C 34 37.283 37.283 39.709 -2.426 18225 5818 1 17 . 1 1 34 34 ILE H H 34 8.259 8.259 7.420 0.839 18225 5819 1 17 . 1 1 35 35 TYR N N 35 118.693 118.693 120.433 -1.740 18225 5820 1 17 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.237 -0.144 18225 5821 1 17 . 1 1 35 35 TYR C C 35 177.885 177.885 175.988 1.897 18225 5822 1 17 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.865 0.773 18225 5823 1 17 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.580 -0.656 18225 5824 1 17 . 1 1 35 35 TYR H H 35 8.347 8.347 7.799 0.548 18225 5825 1 17 . 1 1 36 36 MET N N 36 117.356 117.356 118.612 -1.256 18225 5826 1 17 . 1 1 36 36 MET HA H 36 4.220 4.220 4.072 0.148 18225 5827 1 17 . 1 1 36 36 MET C C 36 177.903 177.903 176.676 1.227 18225 5828 1 17 . 1 1 36 36 MET CA C 36 58.653 58.653 57.772 0.881 18225 5829 1 17 . 1 1 36 36 MET CB C 36 32.172 32.172 32.818 -0.645 18225 5830 1 17 . 1 1 36 36 MET H H 36 8.252 8.252 7.805 0.447 18225 5831 1 17 . 1 1 37 37 LEU N N 37 119.978 119.978 120.592 -0.614 18225 5832 1 17 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.141 -0.113 18225 5833 1 17 . 1 1 37 37 LEU C C 37 178.393 178.393 176.981 1.412 18225 5834 1 17 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.843 1.799 18225 5835 1 17 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.903 1.086 18225 5836 1 17 . 1 1 37 37 LEU H H 37 8.301 8.301 8.062 0.239 18225 5837 1 17 . 1 1 38 38 VAL N N 38 117.991 117.991 115.639 2.352 18225 5838 1 17 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.317 -0.815 18225 5839 1 17 . 1 1 38 38 VAL C C 38 177.962 177.962 175.984 1.978 18225 5840 1 17 . 1 1 38 38 VAL CA C 38 67.155 67.155 61.765 5.390 18225 5841 1 17 . 1 1 38 38 VAL CB C 38 31.415 31.415 32.436 -1.021 18225 5842 1 17 . 1 1 38 38 VAL H H 38 8.414 8.414 7.322 1.092 18225 5843 1 17 . 1 1 39 39 PHE N N 39 119.830 119.830 122.072 -2.242 18225 5844 1 17 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.121 0.057 18225 5845 1 17 . 1 1 39 39 PHE C C 39 178.233 178.233 175.515 2.718 18225 5846 1 17 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.342 0.161 18225 5847 1 17 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.641 -0.583 18225 5848 1 17 . 1 1 39 39 PHE H H 39 8.337 8.337 7.465 0.872 18225 5849 1 17 . 1 1 40 40 LEU N N 40 119.985 119.985 111.406 8.579 18225 5850 1 17 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.129 -0.163 18225 5851 1 17 . 1 1 40 40 LEU C C 40 179.279 179.279 176.072 3.207 18225 5852 1 17 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.562 3.310 18225 5853 1 17 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.333 0.054 18225 5854 1 17 . 1 1 40 40 LEU H H 40 8.603 8.603 7.166 1.437 18225 5855 1 17 . 1 1 41 41 LEU N N 41 118.649 118.649 120.748 -2.099 18225 5856 1 17 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.722 -0.678 18225 5857 1 17 . 1 1 41 41 LEU C C 41 178.670 178.670 176.496 2.174 18225 5858 1 17 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.422 3.261 18225 5859 1 17 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.040 -0.109 18225 5860 1 17 . 1 1 41 41 LEU H H 41 8.486 8.486 7.423 1.063 18225 5861 1 17 . 1 1 42 42 GLY N N 42 105.262 105.262 109.441 -4.179 18225 5862 1 17 . 1 1 42 42 GLY C C 42 174.814 174.814 174.157 0.657 18225 5863 1 17 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.782 0.623 18225 5864 1 17 . 1 1 42 42 GLY H H 42 8.289 8.289 8.500 -0.211 18225 5865 1 17 . 1 1 43 43 THR N N 43 111.955 111.955 114.232 -2.277 18225 5866 1 17 . 1 1 43 43 THR HA H 43 4.243 4.243 4.488 -0.245 18225 5867 1 17 . 1 1 43 43 THR C C 43 175.888 175.888 175.875 0.013 18225 5868 1 17 . 1 1 43 43 THR CA C 43 63.505 63.505 62.525 0.980 18225 5869 1 17 . 1 1 43 43 THR CB C 43 69.598 69.598 69.936 -0.338 18225 5870 1 17 . 1 1 43 43 THR H H 43 7.891 7.891 7.863 0.028 18225 5871 1 17 . 1 1 44 44 THR N N 44 111.997 111.997 118.888 -6.891 18225 5872 1 17 . 1 1 44 44 THR HA H 44 4.320 4.320 3.938 0.382 18225 5873 1 17 . 1 1 44 44 THR C C 44 175.543 175.543 175.047 0.496 18225 5874 1 17 . 1 1 44 44 THR CA C 44 63.009 63.009 65.111 -2.102 18225 5875 1 17 . 1 1 44 44 THR CB C 44 69.881 69.881 68.935 0.946 18225 5876 1 17 . 1 1 44 44 THR H H 44 7.740 7.740 7.640 0.100 18225 5877 1 17 . 1 1 45 45 GLY N N 45 109.564 109.564 106.710 2.854 18225 5878 1 17 . 1 1 45 45 GLY C C 45 174.928 174.928 173.377 1.551 18225 5879 1 17 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.852 1.569 18225 5880 1 17 . 1 1 45 45 GLY H H 45 8.243 8.243 8.308 -0.065 18225 5881 1 17 . 1 1 46 46 ASN N N 46 117.851 117.851 118.529 -0.678 18225 5882 1 17 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.882 -0.165 18225 5883 1 17 . 1 1 46 46 ASN C C 46 176.127 176.127 174.214 1.913 18225 5884 1 17 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.905 1.709 18225 5885 1 17 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.036 1.275 18225 5886 1 17 . 1 1 46 46 ASN H H 46 8.170 8.170 8.172 -0.002 18225 5887 1 17 . 1 1 47 47 GLY N N 47 108.287 108.287 108.989 -0.702 18225 5888 1 17 . 1 1 47 47 GLY C C 47 174.612 174.612 173.825 0.787 18225 5889 1 17 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.545 1.696 18225 5890 1 17 . 1 1 47 47 GLY H H 47 8.663 8.663 8.144 0.519 18225 5891 1 17 . 1 1 48 48 LEU N N 48 120.479 120.479 121.921 -1.442 18225 5892 1 17 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.693 -0.425 18225 5893 1 17 . 1 1 48 48 LEU C C 48 179.407 179.407 178.095 1.312 18225 5894 1 17 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.881 1.711 18225 5895 1 17 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.934 -0.196 18225 5896 1 17 . 1 1 48 48 LEU H H 48 8.149 8.149 7.822 0.327 18225 5897 1 17 . 1 1 49 49 VAL N N 49 119.968 119.968 119.442 0.526 18225 5898 1 17 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.722 0.094 18225 5899 1 17 . 1 1 49 49 VAL C C 49 177.444 177.444 175.021 2.423 18225 5900 1 17 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.304 1.639 18225 5901 1 17 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.343 0.335 18225 5902 1 17 . 1 1 49 49 VAL H H 49 7.969 7.969 8.398 -0.429 18225 5903 1 17 . 1 1 50 50 LEU N N 50 119.329 119.329 116.729 2.600 18225 5904 1 17 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.638 -0.626 18225 5905 1 17 . 1 1 50 50 LEU C C 50 178.085 178.085 177.173 0.912 18225 5906 1 17 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.794 2.123 18225 5907 1 17 . 1 1 50 50 LEU CB C 50 41.706 41.706 43.319 -1.613 18225 5908 1 17 . 1 1 50 50 LEU H H 50 7.814 7.814 7.823 -0.009 18225 5909 1 17 . 1 1 51 51 TRP N N 51 118.186 118.186 121.640 -3.454 18225 5910 1 17 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.723 -0.234 18225 5911 1 17 . 1 1 51 51 TRP C C 51 177.377 177.377 177.544 -0.167 18225 5912 1 17 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.718 0.340 18225 5913 1 17 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.508 -0.727 18225 5914 1 17 . 1 1 51 51 TRP H H 51 8.125 8.125 7.595 0.530 18225 5915 1 17 . 1 1 52 52 THR N N 52 113.180 113.180 115.848 -2.668 18225 5916 1 17 . 1 1 52 52 THR HA H 52 3.787 3.787 3.167 0.620 18225 5917 1 17 . 1 1 52 52 THR C C 52 176.309 176.309 175.967 0.342 18225 5918 1 17 . 1 1 52 52 THR CA C 52 66.473 66.473 64.171 2.302 18225 5919 1 17 . 1 1 52 52 THR CB C 52 68.865 68.865 67.461 1.404 18225 5920 1 17 . 1 1 52 52 THR H H 52 8.079 8.079 7.931 0.148 18225 5921 1 17 . 1 1 53 53 VAL N N 53 119.953 119.953 121.094 -1.141 18225 5922 1 17 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.749 -0.101 18225 5923 1 17 . 1 1 53 53 VAL C C 53 177.252 177.252 176.752 0.500 18225 5924 1 17 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.191 0.895 18225 5925 1 17 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.654 0.050 18225 5926 1 17 . 1 1 53 53 VAL H H 53 7.913 7.913 7.898 0.015 18225 5927 1 17 . 1 1 54 54 PHE N N 54 118.204 118.204 118.716 -0.512 18225 5928 1 17 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.416 -0.169 18225 5929 1 17 . 1 1 54 54 PHE C C 54 177.144 177.144 176.214 0.930 18225 5930 1 17 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.625 0.829 18225 5931 1 17 . 1 1 54 54 PHE CB C 54 39.116 39.116 37.892 1.224 18225 5932 1 17 . 1 1 54 54 PHE H H 54 8.030 8.030 7.893 0.137 18225 5933 1 17 . 1 1 55 55 ARG N N 55 117.725 117.725 117.276 0.449 18225 5934 1 17 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.395 -0.511 18225 5935 1 17 . 1 1 55 55 ARG C C 55 177.443 177.443 176.367 1.076 18225 5936 1 17 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.757 0.797 18225 5937 1 17 . 1 1 55 55 ARG CB C 55 29.807 29.807 31.563 -1.756 18225 5938 1 17 . 1 1 55 55 ARG H H 55 8.034 8.034 7.659 0.375 18225 5939 1 17 . 1 1 56 56 LYS N N 56 118.622 118.622 118.477 0.145 18225 5940 1 17 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.371 -0.207 18225 5941 1 17 . 1 1 56 56 LYS C C 56 177.418 177.418 177.360 0.058 18225 5942 1 17 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.702 0.815 18225 5943 1 17 . 1 1 56 56 LYS CB C 56 32.808 32.808 33.838 -1.030 18225 5944 1 17 . 1 1 56 56 LYS H H 56 7.804 7.804 7.575 0.229 18225 5945 1 17 . 1 1 57 57 LYS N N 57 118.937 118.937 118.412 0.525 18225 5946 1 17 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.724 0.534 18225 5947 1 17 . 1 1 57 57 LYS C C 57 177.029 177.029 176.360 0.669 18225 5948 1 17 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.350 -1.740 18225 5949 1 17 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.837 1.041 18225 5950 1 17 . 1 1 57 57 LYS H H 57 7.974 7.974 8.540 -0.566 18225 5951 1 17 . 1 1 58 58 GLY N N 58 107.785 107.785 106.175 1.610 18225 5952 1 17 . 1 1 58 58 GLY C C 58 173.543 173.543 173.866 -0.323 18225 5953 1 17 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.675 0.798 18225 5954 1 17 . 1 1 58 58 GLY H H 58 8.136 8.136 8.301 -0.165 18225 5955 1 17 . 1 1 59 59 HIS N N 59 117.024 117.024 116.600 0.424 18225 5956 1 17 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.608 0.014 18225 5957 1 17 . 1 1 59 59 HIS C C 59 174.183 174.183 174.220 -0.037 18225 5958 1 17 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.096 0.185 18225 5959 1 17 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.978 -1.897 18225 5960 1 17 . 1 1 59 59 HIS H H 59 8.163 8.163 7.869 0.294 18225 5961 1 17 . 1 1 60 60 HIS N N 60 118.841 118.841 116.853 1.988 18225 5962 1 17 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.724 -0.094 18225 5963 1 17 . 1 1 60 60 HIS C C 60 174.157 174.157 173.962 0.195 18225 5964 1 17 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.800 -1.460 18225 5965 1 17 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.406 -2.302 18225 5966 1 17 . 1 1 60 60 HIS H H 60 8.507 8.507 8.252 0.255 18225 5967 1 17 . 1 1 61 61 HIS N N 61 119.636 119.636 116.483 3.153 18225 5968 1 17 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.621 0.033 18225 5969 1 17 . 1 1 61 61 HIS C C 61 174.095 174.095 174.005 0.090 18225 5970 1 17 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.505 -1.176 18225 5971 1 17 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.202 -1.968 18225 5972 1 17 . 1 1 61 61 HIS H H 61 8.613 8.613 8.433 0.180 18225 5973 1 17 . 1 1 62 62 HIS N N 62 120.286 120.286 119.096 1.190 18225 5974 1 17 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.328 0.332 18225 5975 1 17 . 1 1 62 62 HIS C C 62 173.928 173.928 173.493 0.435 18225 5976 1 17 . 1 1 62 62 HIS CA C 62 55.356 55.356 57.185 -1.829 18225 5977 1 17 . 1 1 62 62 HIS CB C 62 29.329 29.329 28.230 1.099 18225 5978 1 17 . 1 1 62 62 HIS H H 62 8.680 8.680 8.318 0.362 18225 5979 1 17 . 1 1 63 63 HIS N N 63 120.408 120.408 120.645 -0.237 18225 5980 1 17 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.769 -0.120 18225 5981 1 17 . 1 1 63 63 HIS C C 63 173.437 173.437 174.199 -0.762 18225 5982 1 17 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.135 -0.571 18225 5983 1 17 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.913 -0.430 18225 5984 1 17 . 1 1 63 63 HIS H H 63 8.541 8.541 8.526 0.015 18225 5985 1 18 . 1 1 2 2 GLU N N 2 123.432 123.432 121.184 2.248 18225 5986 1 18 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.099 0.310 18225 5987 1 18 . 1 1 2 2 GLU C C 2 175.510 175.510 174.776 0.734 18225 5988 1 18 . 1 1 2 2 GLU CA C 2 56.216 56.216 58.365 -2.149 18225 5989 1 18 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.845 0.693 18225 5990 1 18 . 1 1 2 2 GLU H H 2 8.824 8.824 8.861 -0.037 18225 5991 1 18 . 1 1 3 3 GLU N N 3 121.813 121.813 118.724 3.089 18225 5992 1 18 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.379 -0.001 18225 5993 1 18 . 1 1 3 3 GLU C C 3 176.299 176.299 175.088 1.211 18225 5994 1 18 . 1 1 3 3 GLU CA C 3 56.292 56.292 55.934 0.359 18225 5995 1 18 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.858 -1.405 18225 5996 1 18 . 1 1 3 3 GLU H H 3 8.546 8.546 8.180 0.366 18225 5997 1 18 . 1 1 4 4 GLY N N 4 109.619 109.619 111.359 -1.740 18225 5998 1 18 . 1 1 4 4 GLY C C 4 174.449 174.449 173.543 0.906 18225 5999 1 18 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.832 0.698 18225 6000 1 18 . 1 1 4 4 GLY H H 4 8.463 8.463 8.545 -0.082 18225 6001 1 18 . 1 1 5 5 GLY N N 5 108.241 108.241 108.490 -0.249 18225 6002 1 18 . 1 1 5 5 GLY C C 5 173.965 173.965 173.017 0.948 18225 6003 1 18 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.036 0.416 18225 6004 1 18 . 1 1 5 5 GLY H H 5 8.220 8.220 7.699 0.521 18225 6005 1 18 . 1 1 6 6 ASP N N 6 119.184 119.184 118.943 0.241 18225 6006 1 18 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.264 0.334 18225 6007 1 18 . 1 1 6 6 ASP C C 6 175.801 175.801 175.490 0.311 18225 6008 1 18 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.695 -0.783 18225 6009 1 18 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.729 -1.394 18225 6010 1 18 . 1 1 6 6 ASP H H 6 8.329 8.329 8.050 0.279 18225 6011 1 18 . 1 1 7 7 PHE N N 7 119.589 119.589 114.345 5.244 18225 6012 1 18 . 1 1 7 7 PHE HA H 7 4.480 4.480 3.993 0.487 18225 6013 1 18 . 1 1 7 7 PHE C C 7 175.881 175.881 174.963 0.918 18225 6014 1 18 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.762 1.059 18225 6015 1 18 . 1 1 7 7 PHE CB C 7 39.082 39.082 36.632 2.450 18225 6016 1 18 . 1 1 7 7 PHE H H 7 8.342 8.342 7.337 1.005 18225 6017 1 18 . 1 1 8 8 ASP N N 8 118.430 118.430 120.049 -1.619 18225 6018 1 18 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.535 -0.079 18225 6019 1 18 . 1 1 8 8 ASP C C 8 175.642 175.642 175.621 0.021 18225 6020 1 18 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.468 -0.865 18225 6021 1 18 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.851 -3.267 18225 6022 1 18 . 1 1 8 8 ASP H H 8 8.223 8.223 7.779 0.444 18225 6023 1 18 . 1 1 9 9 ASN N N 9 117.097 117.097 122.795 -5.698 18225 6024 1 18 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.598 -0.039 18225 6025 1 18 . 1 1 9 9 ASN C C 9 175.264 175.264 176.191 -0.927 18225 6026 1 18 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.915 -0.071 18225 6027 1 18 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.225 -0.510 18225 6028 1 18 . 1 1 9 9 ASN H H 9 8.069 8.069 8.503 -0.434 18225 6029 1 18 . 1 1 10 10 TYR N N 10 119.007 119.007 120.124 -1.117 18225 6030 1 18 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.158 0.191 18225 6031 1 18 . 1 1 10 10 TYR C C 10 175.387 175.387 178.380 -2.993 18225 6032 1 18 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.974 -1.780 18225 6033 1 18 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.678 1.151 18225 6034 1 18 . 1 1 10 10 TYR H H 10 7.901 7.901 8.048 -0.147 18225 6035 1 18 . 1 1 11 11 TYR N N 11 117.992 117.992 119.910 -1.918 18225 6036 1 18 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.068 0.375 18225 6037 1 18 . 1 1 11 11 TYR C C 11 175.765 175.765 177.935 -2.170 18225 6038 1 18 . 1 1 11 11 TYR CA C 11 58.372 58.372 61.019 -2.647 18225 6039 1 18 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.321 1.473 18225 6040 1 18 . 1 1 11 11 TYR H H 11 7.885 7.885 8.124 -0.239 18225 6041 1 18 . 1 1 12 12 GLY N N 12 108.601 108.601 103.741 4.860 18225 6042 1 18 . 1 1 12 12 GLY C C 12 173.934 173.934 174.961 -1.027 18225 6043 1 18 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.804 -0.315 18225 6044 1 18 . 1 1 12 12 GLY H H 12 7.861 7.861 8.176 -0.315 18225 6045 1 18 . 1 1 13 13 ALA N N 13 122.926 122.926 125.222 -2.296 18225 6046 1 18 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.795 0.484 18225 6047 1 18 . 1 1 13 13 ALA C C 13 177.457 177.457 179.169 -1.712 18225 6048 1 18 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.891 -2.109 18225 6049 1 18 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.275 2.172 18225 6050 1 18 . 1 1 13 13 ALA H H 13 7.985 7.985 8.323 -0.338 18225 6051 1 18 . 1 1 14 14 ASP N N 14 117.380 117.380 122.203 -4.823 18225 6052 1 18 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.358 0.282 18225 6053 1 18 . 1 1 14 14 ASP C C 14 175.428 175.428 178.171 -2.743 18225 6054 1 18 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.704 -3.032 18225 6055 1 18 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.480 -1.115 18225 6056 1 18 . 1 1 14 14 ASP H H 14 8.330 8.330 8.489 -0.159 18225 6057 1 18 . 1 1 15 15 ASN N N 15 118.465 118.465 117.630 0.835 18225 6058 1 18 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.439 0.200 18225 6059 1 18 . 1 1 15 15 ASN C C 15 175.467 175.467 175.876 -0.409 18225 6060 1 18 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.338 -1.681 18225 6061 1 18 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.771 0.197 18225 6062 1 18 . 1 1 15 15 ASN H H 15 8.207 8.207 8.276 -0.069 18225 6063 1 18 . 1 1 16 16 GLN N N 16 119.741 119.741 117.492 2.249 18225 6064 1 18 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.471 -0.156 18225 6065 1 18 . 1 1 16 16 GLN C C 16 176.350 176.350 175.491 0.859 18225 6066 1 18 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.313 1.327 18225 6067 1 18 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.692 0.404 18225 6068 1 18 . 1 1 16 16 GLN H H 16 8.292 8.292 7.928 0.364 18225 6069 1 18 . 1 1 17 17 SER N N 17 115.772 115.772 116.145 -0.373 18225 6070 1 18 . 1 1 17 17 SER HA H 17 4.390 4.390 4.673 -0.283 18225 6071 1 18 . 1 1 17 17 SER C C 17 174.799 174.799 173.231 1.568 18225 6072 1 18 . 1 1 17 17 SER CA C 17 59.165 59.165 57.111 2.054 18225 6073 1 18 . 1 1 17 17 SER CB C 17 63.651 63.651 65.676 -2.025 18225 6074 1 18 . 1 1 17 17 SER H H 17 8.224 8.224 8.169 0.055 18225 6075 1 18 . 1 1 18 18 GLU N N 18 121.211 121.211 120.675 0.536 18225 6076 1 18 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.196 0.122 18225 6077 1 18 . 1 1 18 18 GLU C C 18 176.201 176.201 175.747 0.454 18225 6078 1 18 . 1 1 18 18 GLU CA C 18 56.725 56.725 58.228 -1.504 18225 6079 1 18 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.207 -0.242 18225 6080 1 18 . 1 1 18 18 GLU H H 18 8.285 8.285 8.701 -0.416 18225 6081 1 18 . 1 1 19 19 CYS N N 19 118.653 118.653 123.346 -4.693 18225 6082 1 18 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.647 -0.224 18225 6083 1 18 . 1 1 19 19 CYS C C 19 174.698 174.698 174.024 0.674 18225 6084 1 18 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.386 -0.311 18225 6085 1 18 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.305 -1.454 18225 6086 1 18 . 1 1 19 19 CYS H H 19 8.202 8.202 8.608 -0.406 18225 6087 1 18 . 1 1 20 20 GLU N N 20 121.851 121.851 119.137 2.714 18225 6088 1 18 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.520 -0.255 18225 6089 1 18 . 1 1 20 20 GLU C C 20 176.100 176.100 175.639 0.461 18225 6090 1 18 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.163 0.659 18225 6091 1 18 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.686 -1.710 18225 6092 1 18 . 1 1 20 20 GLU H H 20 8.349 8.349 8.719 -0.370 18225 6093 1 18 . 1 1 21 21 TYR N N 21 118.491 118.491 118.557 -0.066 18225 6094 1 18 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.920 -0.502 18225 6095 1 18 . 1 1 21 21 TYR C C 21 175.881 175.881 176.764 -0.883 18225 6096 1 18 . 1 1 21 21 TYR CA C 21 58.731 58.731 59.639 -0.908 18225 6097 1 18 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.897 -0.271 18225 6098 1 18 . 1 1 21 21 TYR H H 21 7.974 7.974 8.306 -0.332 18225 6099 1 18 . 1 1 22 22 THR N N 22 112.161 112.161 112.467 -0.306 18225 6100 1 18 . 1 1 22 22 THR HA H 22 4.105 4.105 4.310 -0.205 18225 6101 1 18 . 1 1 22 22 THR C C 22 174.666 174.666 174.580 0.086 18225 6102 1 18 . 1 1 22 22 THR CA C 22 63.190 63.190 62.794 0.396 18225 6103 1 18 . 1 1 22 22 THR CB C 22 69.306 69.306 69.053 0.253 18225 6104 1 18 . 1 1 22 22 THR H H 22 7.747 7.747 8.390 -0.643 18225 6105 1 18 . 1 1 23 23 ASP N N 23 120.529 120.529 126.293 -5.764 18225 6106 1 18 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.633 0.021 18225 6107 1 18 . 1 1 23 23 ASP C C 23 176.119 176.119 175.656 0.463 18225 6108 1 18 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.859 -1.956 18225 6109 1 18 . 1 1 23 23 ASP CB C 23 39.138 39.138 39.496 -0.358 18225 6110 1 18 . 1 1 23 23 ASP H H 23 8.114 8.114 8.927 -0.813 18225 6111 1 18 . 1 1 24 24 TRP N N 24 121.466 121.466 116.018 5.448 18225 6112 1 18 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.693 -0.217 18225 6113 1 18 . 1 1 24 24 TRP C C 24 176.578 176.578 176.062 0.516 18225 6114 1 18 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.877 0.434 18225 6115 1 18 . 1 1 24 24 TRP CB C 24 29.186 29.186 31.133 -1.947 18225 6116 1 18 . 1 1 24 24 TRP H H 24 8.034 8.034 7.924 0.110 18225 6117 1 18 . 1 1 25 25 LYS N N 25 119.430 119.430 119.595 -0.165 18225 6118 1 18 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.650 1.395 18225 6119 1 18 . 1 1 25 25 LYS C C 25 176.798 176.798 177.273 -0.475 18225 6120 1 18 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.916 -0.155 18225 6121 1 18 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.713 1.696 18225 6122 1 18 . 1 1 25 25 LYS H H 25 7.880 7.880 6.269 1.611 18225 6123 1 18 . 1 1 26 26 SER N N 26 113.780 113.780 113.877 -0.097 18225 6124 1 18 . 1 1 26 26 SER HA H 26 4.461 4.461 4.551 -0.090 18225 6125 1 18 . 1 1 26 26 SER C C 26 174.957 174.957 174.087 0.870 18225 6126 1 18 . 1 1 26 26 SER CA C 26 58.760 58.760 59.679 -0.919 18225 6127 1 18 . 1 1 26 26 SER CB C 26 63.889 63.889 64.041 -0.152 18225 6128 1 18 . 1 1 26 26 SER H H 26 7.893 7.893 8.065 -0.172 18225 6129 1 18 . 1 1 27 27 SER N N 27 116.730 116.730 114.885 1.845 18225 6130 1 18 . 1 1 27 27 SER HA H 27 4.328 4.328 4.259 0.069 18225 6131 1 18 . 1 1 27 27 SER C C 27 175.563 175.563 174.202 1.361 18225 6132 1 18 . 1 1 27 27 SER CA C 27 59.856 59.856 59.678 0.178 18225 6133 1 18 . 1 1 27 27 SER CB C 27 63.819 63.819 62.650 1.169 18225 6134 1 18 . 1 1 27 27 SER H H 27 8.137 8.137 8.405 -0.268 18225 6135 1 18 . 1 1 28 28 GLY N N 28 110.734 110.734 104.916 5.818 18225 6136 1 18 . 1 1 28 28 GLY C C 28 174.314 174.314 173.254 1.060 18225 6137 1 18 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.515 0.610 18225 6138 1 18 . 1 1 28 28 GLY H H 28 8.477 8.477 8.131 0.346 18225 6139 1 18 . 1 1 29 29 ALA N N 29 121.690 121.690 120.985 0.705 18225 6140 1 18 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.508 -0.219 18225 6141 1 18 . 1 1 29 29 ALA C C 29 177.330 177.330 176.473 0.857 18225 6142 1 18 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.337 0.837 18225 6143 1 18 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.557 0.327 18225 6144 1 18 . 1 1 29 29 ALA H H 29 8.189 8.189 7.860 0.329 18225 6145 1 18 . 1 1 30 30 LEU N N 30 117.292 117.292 118.898 -1.606 18225 6146 1 18 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.682 -0.603 18225 6147 1 18 . 1 1 30 30 LEU C C 30 177.377 177.377 177.057 0.320 18225 6148 1 18 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.049 2.185 18225 6149 1 18 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.772 -0.358 18225 6150 1 18 . 1 1 30 30 LEU H H 30 7.873 7.873 7.929 -0.056 18225 6151 1 18 . 1 1 31 31 ILE N N 31 116.517 116.517 117.716 -1.199 18225 6152 1 18 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.489 -0.606 18225 6153 1 18 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.145 3.121 18225 6154 1 18 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.306 -0.550 18225 6155 1 18 . 1 1 31 31 ILE H H 31 8.262 8.262 7.944 0.318 18225 6156 1 18 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.670 -0.458 18225 6157 1 18 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.092 2.901 18225 6158 1 18 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.848 0.144 18225 6159 1 18 . 1 1 33 33 ALA N N 33 118.208 118.208 119.625 -1.417 18225 6160 1 18 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.471 -0.405 18225 6161 1 18 . 1 1 33 33 ALA C C 33 178.814 178.814 176.609 2.205 18225 6162 1 18 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.414 3.275 18225 6163 1 18 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.072 -1.693 18225 6164 1 18 . 1 1 33 33 ALA H H 33 7.613 7.613 7.932 -0.319 18225 6165 1 18 . 1 1 34 34 ILE N N 34 117.730 117.730 117.301 0.429 18225 6166 1 18 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.198 -0.533 18225 6167 1 18 . 1 1 34 34 ILE C C 34 177.826 177.826 175.976 1.850 18225 6168 1 18 . 1 1 34 34 ILE CA C 34 65.154 65.154 62.069 3.085 18225 6169 1 18 . 1 1 34 34 ILE CB C 34 37.283 37.283 40.355 -3.072 18225 6170 1 18 . 1 1 34 34 ILE H H 34 8.259 8.259 7.415 0.844 18225 6171 1 18 . 1 1 35 35 TYR N N 35 118.693 118.693 119.693 -1.000 18225 6172 1 18 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.425 -0.332 18225 6173 1 18 . 1 1 35 35 TYR C C 35 177.885 177.885 176.306 1.579 18225 6174 1 18 . 1 1 35 35 TYR CA C 35 61.638 61.638 59.973 1.665 18225 6175 1 18 . 1 1 35 35 TYR CB C 35 37.924 37.924 40.189 -2.265 18225 6176 1 18 . 1 1 35 35 TYR H H 35 8.347 8.347 7.760 0.587 18225 6177 1 18 . 1 1 36 36 MET N N 36 117.356 117.356 119.692 -2.336 18225 6178 1 18 . 1 1 36 36 MET HA H 36 4.220 4.220 3.853 0.367 18225 6179 1 18 . 1 1 36 36 MET C C 36 177.903 177.903 176.304 1.599 18225 6180 1 18 . 1 1 36 36 MET CA C 36 58.653 58.653 58.331 0.322 18225 6181 1 18 . 1 1 36 36 MET CB C 36 32.172 32.172 32.884 -0.712 18225 6182 1 18 . 1 1 36 36 MET H H 36 8.252 8.252 7.450 0.802 18225 6183 1 18 . 1 1 37 37 LEU N N 37 119.978 119.978 116.652 3.326 18225 6184 1 18 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.174 -0.146 18225 6185 1 18 . 1 1 37 37 LEU C C 37 178.393 178.393 175.904 2.489 18225 6186 1 18 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.187 3.455 18225 6187 1 18 . 1 1 37 37 LEU CB C 37 41.989 41.989 39.619 2.370 18225 6188 1 18 . 1 1 37 37 LEU H H 37 8.301 8.301 8.259 0.042 18225 6189 1 18 . 1 1 38 38 VAL N N 38 117.991 117.991 114.896 3.095 18225 6190 1 18 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.182 -0.680 18225 6191 1 18 . 1 1 38 38 VAL C C 38 177.962 177.962 176.072 1.890 18225 6192 1 18 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.818 4.337 18225 6193 1 18 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.242 -2.828 18225 6194 1 18 . 1 1 38 38 VAL H H 38 8.414 8.414 7.493 0.921 18225 6195 1 18 . 1 1 39 39 PHE N N 39 119.830 119.830 121.632 -1.802 18225 6196 1 18 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.186 -0.008 18225 6197 1 18 . 1 1 39 39 PHE C C 39 178.233 178.233 175.359 2.874 18225 6198 1 18 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.387 1.116 18225 6199 1 18 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.687 -0.629 18225 6200 1 18 . 1 1 39 39 PHE H H 39 8.337 8.337 7.584 0.753 18225 6201 1 18 . 1 1 40 40 LEU N N 40 119.985 119.985 110.655 9.330 18225 6202 1 18 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.323 -0.357 18225 6203 1 18 . 1 1 40 40 LEU C C 40 179.279 179.279 175.305 3.974 18225 6204 1 18 . 1 1 40 40 LEU CA C 40 57.872 57.872 53.809 4.063 18225 6205 1 18 . 1 1 40 40 LEU CB C 40 42.387 42.387 43.256 -0.869 18225 6206 1 18 . 1 1 40 40 LEU H H 40 8.603 8.603 7.032 1.571 18225 6207 1 18 . 1 1 41 41 LEU N N 41 118.649 118.649 121.367 -2.718 18225 6208 1 18 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.503 -0.459 18225 6209 1 18 . 1 1 41 41 LEU C C 41 178.670 178.670 176.083 2.587 18225 6210 1 18 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.792 2.891 18225 6211 1 18 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.884 -0.953 18225 6212 1 18 . 1 1 41 41 LEU H H 41 8.486 8.486 7.447 1.039 18225 6213 1 18 . 1 1 42 42 GLY N N 42 105.262 105.262 110.812 -5.550 18225 6214 1 18 . 1 1 42 42 GLY C C 42 174.814 174.814 174.013 0.801 18225 6215 1 18 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.989 0.416 18225 6216 1 18 . 1 1 42 42 GLY H H 42 8.289 8.289 8.392 -0.103 18225 6217 1 18 . 1 1 43 43 THR N N 43 111.955 111.955 114.919 -2.964 18225 6218 1 18 . 1 1 43 43 THR HA H 43 4.243 4.243 4.520 -0.277 18225 6219 1 18 . 1 1 43 43 THR C C 43 175.888 175.888 175.658 0.230 18225 6220 1 18 . 1 1 43 43 THR CA C 43 63.505 63.505 62.358 1.147 18225 6221 1 18 . 1 1 43 43 THR CB C 43 69.598 69.598 69.639 -0.041 18225 6222 1 18 . 1 1 43 43 THR H H 43 7.891 7.891 7.755 0.136 18225 6223 1 18 . 1 1 44 44 THR N N 44 111.997 111.997 118.750 -6.753 18225 6224 1 18 . 1 1 44 44 THR HA H 44 4.320 4.320 4.104 0.216 18225 6225 1 18 . 1 1 44 44 THR C C 44 175.543 175.543 176.324 -0.781 18225 6226 1 18 . 1 1 44 44 THR CA C 44 63.009 63.009 64.960 -1.951 18225 6227 1 18 . 1 1 44 44 THR CB C 44 69.881 69.881 68.483 1.398 18225 6228 1 18 . 1 1 44 44 THR H H 44 7.740 7.740 8.198 -0.458 18225 6229 1 18 . 1 1 45 45 GLY N N 45 109.564 109.564 109.972 -0.408 18225 6230 1 18 . 1 1 45 45 GLY C C 45 174.928 174.928 175.216 -0.288 18225 6231 1 18 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.678 -0.259 18225 6232 1 18 . 1 1 45 45 GLY H H 45 8.243 8.243 8.400 -0.157 18225 6233 1 18 . 1 1 46 46 ASN N N 46 117.851 117.851 119.481 -1.630 18225 6234 1 18 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.831 -0.114 18225 6235 1 18 . 1 1 46 46 ASN C C 46 176.127 176.127 177.082 -0.955 18225 6236 1 18 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.876 1.738 18225 6237 1 18 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.168 0.143 18225 6238 1 18 . 1 1 46 46 ASN H H 46 8.170 8.170 7.772 0.398 18225 6239 1 18 . 1 1 47 47 GLY N N 47 108.287 108.287 108.831 -0.544 18225 6240 1 18 . 1 1 47 47 GLY C C 47 174.612 174.612 174.996 -0.384 18225 6241 1 18 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.327 1.914 18225 6242 1 18 . 1 1 47 47 GLY H H 47 8.663 8.663 7.465 1.198 18225 6243 1 18 . 1 1 48 48 LEU N N 48 120.479 120.479 121.233 -0.754 18225 6244 1 18 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.716 -0.448 18225 6245 1 18 . 1 1 48 48 LEU C C 48 179.407 179.407 177.900 1.507 18225 6246 1 18 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.328 2.264 18225 6247 1 18 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.489 -0.751 18225 6248 1 18 . 1 1 48 48 LEU H H 48 8.149 8.149 7.864 0.285 18225 6249 1 18 . 1 1 49 49 VAL N N 49 119.968 119.968 116.738 3.230 18225 6250 1 18 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.119 -0.303 18225 6251 1 18 . 1 1 49 49 VAL C C 49 177.444 177.444 176.933 0.511 18225 6252 1 18 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.216 0.727 18225 6253 1 18 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.702 -0.024 18225 6254 1 18 . 1 1 49 49 VAL H H 49 7.969 7.969 7.341 0.628 18225 6255 1 18 . 1 1 50 50 LEU N N 50 119.329 119.329 116.057 3.272 18225 6256 1 18 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.529 -0.517 18225 6257 1 18 . 1 1 50 50 LEU C C 50 178.085 178.085 176.982 1.103 18225 6258 1 18 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.437 2.480 18225 6259 1 18 . 1 1 50 50 LEU CB C 50 41.706 41.706 40.887 0.819 18225 6260 1 18 . 1 1 50 50 LEU H H 50 7.814 7.814 8.014 -0.200 18225 6261 1 18 . 1 1 51 51 TRP N N 51 118.186 118.186 120.873 -2.687 18225 6262 1 18 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.660 -0.171 18225 6263 1 18 . 1 1 51 51 TRP C C 51 177.377 177.377 177.477 -0.100 18225 6264 1 18 . 1 1 51 51 TRP CA C 51 60.058 60.058 58.013 2.045 18225 6265 1 18 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.469 -0.688 18225 6266 1 18 . 1 1 51 51 TRP H H 51 8.125 8.125 7.438 0.687 18225 6267 1 18 . 1 1 52 52 THR N N 52 113.180 113.180 114.881 -1.701 18225 6268 1 18 . 1 1 52 52 THR HA H 52 3.787 3.787 2.882 0.905 18225 6269 1 18 . 1 1 52 52 THR C C 52 176.309 176.309 176.604 -0.295 18225 6270 1 18 . 1 1 52 52 THR CA C 52 66.473 66.473 65.655 0.818 18225 6271 1 18 . 1 1 52 52 THR CB C 52 68.865 68.865 68.159 0.706 18225 6272 1 18 . 1 1 52 52 THR H H 52 8.079 8.079 7.865 0.214 18225 6273 1 18 . 1 1 53 53 VAL N N 53 119.953 119.953 120.987 -1.034 18225 6274 1 18 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.543 0.105 18225 6275 1 18 . 1 1 53 53 VAL C C 53 177.252 177.252 177.651 -0.399 18225 6276 1 18 . 1 1 53 53 VAL CA C 53 66.086 66.086 66.216 -0.130 18225 6277 1 18 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.625 0.079 18225 6278 1 18 . 1 1 53 53 VAL H H 53 7.913 7.913 7.601 0.312 18225 6279 1 18 . 1 1 54 54 PHE N N 54 118.204 118.204 118.901 -0.697 18225 6280 1 18 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.126 0.121 18225 6281 1 18 . 1 1 54 54 PHE C C 54 177.144 177.144 177.114 0.030 18225 6282 1 18 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.533 -1.079 18225 6283 1 18 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.966 0.150 18225 6284 1 18 . 1 1 54 54 PHE H H 54 8.030 8.030 7.362 0.668 18225 6285 1 18 . 1 1 55 55 ARG N N 55 117.725 117.725 116.548 1.177 18225 6286 1 18 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.067 -0.183 18225 6287 1 18 . 1 1 55 55 ARG C C 55 177.443 177.443 178.734 -1.291 18225 6288 1 18 . 1 1 55 55 ARG CA C 55 57.554 57.554 58.049 -0.495 18225 6289 1 18 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.450 0.357 18225 6290 1 18 . 1 1 55 55 ARG H H 55 8.034 8.034 7.797 0.237 18225 6291 1 18 . 1 1 56 56 LYS N N 56 118.622 118.622 119.829 -1.207 18225 6292 1 18 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.142 0.022 18225 6293 1 18 . 1 1 56 56 LYS C C 56 177.418 177.418 178.429 -1.011 18225 6294 1 18 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.766 -0.249 18225 6295 1 18 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.048 0.760 18225 6296 1 18 . 1 1 56 56 LYS H H 56 7.804 7.804 7.734 0.070 18225 6297 1 18 . 1 1 57 57 LYS N N 57 118.937 118.937 118.348 0.589 18225 6298 1 18 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.012 0.246 18225 6299 1 18 . 1 1 57 57 LYS C C 57 177.029 177.029 177.180 -0.151 18225 6300 1 18 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.559 -0.949 18225 6301 1 18 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.257 0.621 18225 6302 1 18 . 1 1 57 57 LYS H H 57 7.974 7.974 7.820 0.154 18225 6303 1 18 . 1 1 58 58 GLY N N 58 107.785 107.785 107.108 0.677 18225 6304 1 18 . 1 1 58 58 GLY C C 58 173.543 173.543 174.721 -1.178 18225 6305 1 18 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.269 0.204 18225 6306 1 18 . 1 1 58 58 GLY H H 58 8.136 8.136 7.627 0.509 18225 6307 1 18 . 1 1 59 59 HIS N N 59 117.024 117.024 116.217 0.807 18225 6308 1 18 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.840 0.782 18225 6309 1 18 . 1 1 59 59 HIS C C 59 174.183 174.183 174.689 -0.506 18225 6310 1 18 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.918 -0.637 18225 6311 1 18 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.595 -0.514 18225 6312 1 18 . 1 1 59 59 HIS H H 59 8.163 8.163 8.095 0.068 18225 6313 1 18 . 1 1 60 60 HIS N N 60 118.841 118.841 116.631 2.210 18225 6314 1 18 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.087 0.543 18225 6315 1 18 . 1 1 60 60 HIS C C 60 174.157 174.157 173.637 0.520 18225 6316 1 18 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.533 -1.193 18225 6317 1 18 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.005 -0.901 18225 6318 1 18 . 1 1 60 60 HIS H H 60 8.507 8.507 8.400 0.107 18225 6319 1 18 . 1 1 61 61 HIS N N 61 119.636 119.636 122.815 -3.179 18225 6320 1 18 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.779 -0.125 18225 6321 1 18 . 1 1 61 61 HIS C C 61 174.095 174.095 175.352 -1.257 18225 6322 1 18 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.205 0.124 18225 6323 1 18 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.776 -1.542 18225 6324 1 18 . 1 1 61 61 HIS H H 61 8.613 8.613 7.872 0.741 18225 6325 1 18 . 1 1 62 62 HIS N N 62 120.286 120.286 122.741 -2.455 18225 6326 1 18 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.834 -0.174 18225 6327 1 18 . 1 1 62 62 HIS C C 62 173.928 173.928 175.391 -1.463 18225 6328 1 18 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.647 -1.291 18225 6329 1 18 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.388 -1.059 18225 6330 1 18 . 1 1 62 62 HIS H H 62 8.680 8.680 8.708 -0.028 18225 6331 1 18 . 1 1 63 63 HIS N N 63 120.408 120.408 124.809 -4.401 18225 6332 1 18 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.571 0.078 18225 6333 1 18 . 1 1 63 63 HIS C C 63 173.437 173.437 174.312 -0.875 18225 6334 1 18 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.077 -0.513 18225 6335 1 18 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.831 0.652 18225 6336 1 18 . 1 1 63 63 HIS H H 63 8.541 8.541 8.573 -0.032 18225 6337 1 19 . 1 1 2 2 GLU N N 2 123.432 123.432 125.394 -1.962 18225 6338 1 19 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.393 0.016 18225 6339 1 19 . 1 1 2 2 GLU C C 2 175.510 175.510 176.188 -0.678 18225 6340 1 19 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.102 0.114 18225 6341 1 19 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.253 0.285 18225 6342 1 19 . 1 1 2 2 GLU H H 2 8.824 8.824 8.673 0.151 18225 6343 1 19 . 1 1 3 3 GLU N N 3 121.813 121.813 121.726 0.087 18225 6344 1 19 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.136 0.242 18225 6345 1 19 . 1 1 3 3 GLU C C 3 176.299 176.299 176.947 -0.648 18225 6346 1 19 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.044 -0.752 18225 6347 1 19 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.080 -0.628 18225 6348 1 19 . 1 1 3 3 GLU H H 3 8.546 8.546 7.882 0.664 18225 6349 1 19 . 1 1 4 4 GLY N N 4 109.619 109.619 109.376 0.243 18225 6350 1 19 . 1 1 4 4 GLY C C 4 174.449 174.449 174.369 0.080 18225 6351 1 19 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.186 0.344 18225 6352 1 19 . 1 1 4 4 GLY H H 4 8.463 8.463 8.608 -0.145 18225 6353 1 19 . 1 1 5 5 GLY N N 5 108.241 108.241 108.545 -0.304 18225 6354 1 19 . 1 1 5 5 GLY C C 5 173.965 173.965 173.417 0.548 18225 6355 1 19 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.763 0.689 18225 6356 1 19 . 1 1 5 5 GLY H H 5 8.220 8.220 7.714 0.506 18225 6357 1 19 . 1 1 6 6 ASP N N 6 119.184 119.184 125.979 -6.795 18225 6358 1 19 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.556 0.042 18225 6359 1 19 . 1 1 6 6 ASP C C 6 175.801 175.801 175.849 -0.048 18225 6360 1 19 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.738 -0.826 18225 6361 1 19 . 1 1 6 6 ASP CB C 6 39.335 39.335 39.276 0.059 18225 6362 1 19 . 1 1 6 6 ASP H H 6 8.329 8.329 8.828 -0.499 18225 6363 1 19 . 1 1 7 7 PHE N N 7 119.589 119.589 116.157 3.432 18225 6364 1 19 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.660 -0.180 18225 6365 1 19 . 1 1 7 7 PHE C C 7 175.881 175.881 174.378 1.503 18225 6366 1 19 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.246 0.575 18225 6367 1 19 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.870 -1.788 18225 6368 1 19 . 1 1 7 7 PHE H H 7 8.342 8.342 7.980 0.362 18225 6369 1 19 . 1 1 8 8 ASP N N 8 118.430 118.430 124.044 -5.614 18225 6370 1 19 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.394 1.062 18225 6371 1 19 . 1 1 8 8 ASP C C 8 175.642 175.642 175.680 -0.038 18225 6372 1 19 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.541 -0.938 18225 6373 1 19 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.248 -1.664 18225 6374 1 19 . 1 1 8 8 ASP H H 8 8.223 8.223 7.582 0.641 18225 6375 1 19 . 1 1 9 9 ASN N N 9 117.097 117.097 121.422 -4.325 18225 6376 1 19 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.088 0.471 18225 6377 1 19 . 1 1 9 9 ASN C C 9 175.264 175.264 174.474 0.790 18225 6378 1 19 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.712 1.132 18225 6379 1 19 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.690 -0.975 18225 6380 1 19 . 1 1 9 9 ASN H H 9 8.069 8.069 7.964 0.105 18225 6381 1 19 . 1 1 10 10 TYR N N 10 119.007 119.007 118.427 0.580 18225 6382 1 19 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.108 0.241 18225 6383 1 19 . 1 1 10 10 TYR C C 10 175.387 175.387 175.968 -0.581 18225 6384 1 19 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.211 -1.016 18225 6385 1 19 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.625 2.203 18225 6386 1 19 . 1 1 10 10 TYR H H 10 7.901 7.901 8.048 -0.147 18225 6387 1 19 . 1 1 11 11 TYR N N 11 117.992 117.992 120.583 -2.591 18225 6388 1 19 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.284 0.159 18225 6389 1 19 . 1 1 11 11 TYR C C 11 175.765 175.765 175.787 -0.022 18225 6390 1 19 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.887 -0.515 18225 6391 1 19 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.783 0.010 18225 6392 1 19 . 1 1 11 11 TYR H H 11 7.885 7.885 8.631 -0.746 18225 6393 1 19 . 1 1 12 12 GLY N N 12 108.601 108.601 110.164 -1.563 18225 6394 1 19 . 1 1 12 12 GLY C C 12 173.934 173.934 174.462 -0.528 18225 6395 1 19 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.734 -0.245 18225 6396 1 19 . 1 1 12 12 GLY H H 12 7.861 7.861 8.354 -0.493 18225 6397 1 19 . 1 1 13 13 ALA N N 13 122.926 122.926 121.552 1.374 18225 6398 1 19 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.240 0.039 18225 6399 1 19 . 1 1 13 13 ALA C C 13 177.457 177.457 178.473 -1.016 18225 6400 1 19 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.849 -0.066 18225 6401 1 19 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.316 0.131 18225 6402 1 19 . 1 1 13 13 ALA H H 13 7.985 7.985 8.278 -0.293 18225 6403 1 19 . 1 1 14 14 ASP N N 14 117.380 117.380 118.285 -0.905 18225 6404 1 19 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.327 0.313 18225 6405 1 19 . 1 1 14 14 ASP C C 14 175.428 175.428 178.138 -2.710 18225 6406 1 19 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.983 -3.311 18225 6407 1 19 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.976 -0.611 18225 6408 1 19 . 1 1 14 14 ASP H H 14 8.330 8.330 8.673 -0.343 18225 6409 1 19 . 1 1 15 15 ASN N N 15 118.465 118.465 117.649 0.816 18225 6410 1 19 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.480 0.159 18225 6411 1 19 . 1 1 15 15 ASN C C 15 175.467 175.467 176.783 -1.316 18225 6412 1 19 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.793 -2.136 18225 6413 1 19 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.576 0.392 18225 6414 1 19 . 1 1 15 15 ASN H H 15 8.207 8.207 8.108 0.099 18225 6415 1 19 . 1 1 16 16 GLN N N 16 119.741 119.741 117.419 2.322 18225 6416 1 19 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.448 -0.133 18225 6417 1 19 . 1 1 16 16 GLN C C 16 176.350 176.350 175.095 1.255 18225 6418 1 19 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.898 0.742 18225 6419 1 19 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.719 0.377 18225 6420 1 19 . 1 1 16 16 GLN H H 16 8.292 8.292 7.854 0.438 18225 6421 1 19 . 1 1 17 17 SER N N 17 115.772 115.772 115.624 0.148 18225 6422 1 19 . 1 1 17 17 SER HA H 17 4.390 4.390 4.635 -0.245 18225 6423 1 19 . 1 1 17 17 SER C C 17 174.799 174.799 172.708 2.091 18225 6424 1 19 . 1 1 17 17 SER CA C 17 59.165 59.165 57.166 1.999 18225 6425 1 19 . 1 1 17 17 SER CB C 17 63.651 63.651 65.061 -1.410 18225 6426 1 19 . 1 1 17 17 SER H H 17 8.224 8.224 7.986 0.238 18225 6427 1 19 . 1 1 18 18 GLU N N 18 121.211 121.211 121.709 -0.498 18225 6428 1 19 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.204 0.114 18225 6429 1 19 . 1 1 18 18 GLU C C 18 176.201 176.201 175.445 0.756 18225 6430 1 19 . 1 1 18 18 GLU CA C 18 56.725 56.725 58.109 -1.384 18225 6431 1 19 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.635 -0.670 18225 6432 1 19 . 1 1 18 18 GLU H H 18 8.285 8.285 8.568 -0.283 18225 6433 1 19 . 1 1 19 19 CYS N N 19 118.653 118.653 126.090 -7.437 18225 6434 1 19 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.637 -0.214 18225 6435 1 19 . 1 1 19 19 CYS C C 19 174.698 174.698 174.069 0.629 18225 6436 1 19 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.244 0.831 18225 6437 1 19 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.462 -0.612 18225 6438 1 19 . 1 1 19 19 CYS H H 19 8.202 8.202 8.174 0.028 18225 6439 1 19 . 1 1 20 20 GLU N N 20 121.851 121.851 121.592 0.259 18225 6440 1 19 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.050 0.215 18225 6441 1 19 . 1 1 20 20 GLU C C 20 176.100 176.100 175.506 0.594 18225 6442 1 19 . 1 1 20 20 GLU CA C 20 56.822 56.822 58.651 -1.829 18225 6443 1 19 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.670 1.306 18225 6444 1 19 . 1 1 20 20 GLU H H 20 8.349 8.349 9.140 -0.791 18225 6445 1 19 . 1 1 21 21 TYR N N 21 118.491 118.491 116.684 1.807 18225 6446 1 19 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.711 -0.293 18225 6447 1 19 . 1 1 21 21 TYR C C 21 175.881 175.881 175.661 0.220 18225 6448 1 19 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.834 -0.103 18225 6449 1 19 . 1 1 21 21 TYR CB C 21 38.626 38.626 37.603 1.023 18225 6450 1 19 . 1 1 21 21 TYR H H 21 7.974 7.974 8.259 -0.285 18225 6451 1 19 . 1 1 22 22 THR N N 22 112.161 112.161 112.691 -0.530 18225 6452 1 19 . 1 1 22 22 THR HA H 22 4.105 4.105 4.097 0.008 18225 6453 1 19 . 1 1 22 22 THR C C 22 174.666 174.666 174.968 -0.302 18225 6454 1 19 . 1 1 22 22 THR CA C 22 63.190 63.190 63.167 0.023 18225 6455 1 19 . 1 1 22 22 THR CB C 22 69.306 69.306 68.866 0.440 18225 6456 1 19 . 1 1 22 22 THR H H 22 7.747 7.747 7.483 0.264 18225 6457 1 19 . 1 1 23 23 ASP N N 23 120.529 120.529 121.822 -1.293 18225 6458 1 19 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.525 0.129 18225 6459 1 19 . 1 1 23 23 ASP C C 23 176.119 176.119 176.379 -0.260 18225 6460 1 19 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.156 -2.253 18225 6461 1 19 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.954 -1.816 18225 6462 1 19 . 1 1 23 23 ASP H H 23 8.114 8.114 8.697 -0.583 18225 6463 1 19 . 1 1 24 24 TRP N N 24 121.466 121.466 114.460 7.006 18225 6464 1 19 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.675 -0.199 18225 6465 1 19 . 1 1 24 24 TRP C C 24 176.578 176.578 175.772 0.806 18225 6466 1 19 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.652 1.659 18225 6467 1 19 . 1 1 24 24 TRP CB C 24 29.186 29.186 30.638 -1.452 18225 6468 1 19 . 1 1 24 24 TRP H H 24 8.034 8.034 7.195 0.839 18225 6469 1 19 . 1 1 25 25 LYS N N 25 119.430 119.430 119.589 -0.159 18225 6470 1 19 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.870 1.175 18225 6471 1 19 . 1 1 25 25 LYS C C 25 176.798 176.798 174.244 2.554 18225 6472 1 19 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.957 0.804 18225 6473 1 19 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.840 0.569 18225 6474 1 19 . 1 1 25 25 LYS H H 25 7.880 7.880 6.829 1.051 18225 6475 1 19 . 1 1 26 26 SER N N 26 113.780 113.780 112.739 1.041 18225 6476 1 19 . 1 1 26 26 SER HA H 26 4.461 4.461 4.524 -0.063 18225 6477 1 19 . 1 1 26 26 SER C C 26 174.957 174.957 173.445 1.512 18225 6478 1 19 . 1 1 26 26 SER CA C 26 58.760 58.760 57.518 1.242 18225 6479 1 19 . 1 1 26 26 SER CB C 26 63.889 63.889 64.734 -0.845 18225 6480 1 19 . 1 1 26 26 SER H H 26 7.893 7.893 7.897 -0.004 18225 6481 1 19 . 1 1 27 27 SER N N 27 116.730 116.730 120.295 -3.565 18225 6482 1 19 . 1 1 27 27 SER HA H 27 4.328 4.328 4.402 -0.074 18225 6483 1 19 . 1 1 27 27 SER C C 27 175.563 175.563 175.066 0.497 18225 6484 1 19 . 1 1 27 27 SER CA C 27 59.856 59.856 59.369 0.487 18225 6485 1 19 . 1 1 27 27 SER CB C 27 63.819 63.819 63.191 0.628 18225 6486 1 19 . 1 1 27 27 SER H H 27 8.137 8.137 8.825 -0.688 18225 6487 1 19 . 1 1 28 28 GLY N N 28 110.734 110.734 107.207 3.527 18225 6488 1 19 . 1 1 28 28 GLY C C 28 174.314 174.314 174.410 -0.096 18225 6489 1 19 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.027 1.098 18225 6490 1 19 . 1 1 28 28 GLY H H 28 8.477 8.477 7.981 0.496 18225 6491 1 19 . 1 1 29 29 ALA N N 29 121.690 121.690 119.370 2.320 18225 6492 1 19 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.023 0.266 18225 6493 1 19 . 1 1 29 29 ALA C C 29 177.330 177.330 176.353 0.977 18225 6494 1 19 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.023 0.151 18225 6495 1 19 . 1 1 29 29 ALA CB C 29 19.884 19.884 18.160 1.724 18225 6496 1 19 . 1 1 29 29 ALA H H 29 8.189 8.189 7.955 0.234 18225 6497 1 19 . 1 1 30 30 LEU N N 30 117.292 117.292 118.314 -1.022 18225 6498 1 19 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.568 -0.489 18225 6499 1 19 . 1 1 30 30 LEU C C 30 177.377 177.377 177.820 -0.443 18225 6500 1 19 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.166 3.068 18225 6501 1 19 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.227 0.187 18225 6502 1 19 . 1 1 30 30 LEU H H 30 7.873 7.873 7.909 -0.036 18225 6503 1 19 . 1 1 31 31 ILE N N 31 116.517 116.517 121.958 -5.441 18225 6504 1 19 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.160 -0.277 18225 6505 1 19 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.382 0.884 18225 6506 1 19 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.814 -1.058 18225 6507 1 19 . 1 1 31 31 ILE H H 31 8.262 8.262 8.174 0.088 18225 6508 1 19 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.285 -0.073 18225 6509 1 19 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.195 -0.202 18225 6510 1 19 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.785 0.207 18225 6511 1 19 . 1 1 33 33 ALA N N 33 118.208 118.208 120.775 -2.567 18225 6512 1 19 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.211 -0.145 18225 6513 1 19 . 1 1 33 33 ALA C C 33 178.814 178.814 179.578 -0.764 18225 6514 1 19 . 1 1 33 33 ALA CA C 33 55.689 55.689 54.621 1.068 18225 6515 1 19 . 1 1 33 33 ALA CB C 33 18.379 18.379 18.582 -0.203 18225 6516 1 19 . 1 1 33 33 ALA H H 33 7.613 7.613 7.865 -0.252 18225 6517 1 19 . 1 1 34 34 ILE N N 34 117.730 117.730 119.060 -1.330 18225 6518 1 19 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.699 -0.034 18225 6519 1 19 . 1 1 34 34 ILE C C 34 177.826 177.826 177.793 0.033 18225 6520 1 19 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.884 0.270 18225 6521 1 19 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.205 -0.922 18225 6522 1 19 . 1 1 34 34 ILE H H 34 8.259 8.259 7.663 0.596 18225 6523 1 19 . 1 1 35 35 TYR N N 35 118.693 118.693 119.132 -0.439 18225 6524 1 19 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.386 -0.293 18225 6525 1 19 . 1 1 35 35 TYR C C 35 177.885 177.885 177.017 0.868 18225 6526 1 19 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.884 0.754 18225 6527 1 19 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.787 -0.863 18225 6528 1 19 . 1 1 35 35 TYR H H 35 8.347 8.347 8.228 0.119 18225 6529 1 19 . 1 1 36 36 MET N N 36 117.356 117.356 120.567 -3.211 18225 6530 1 19 . 1 1 36 36 MET HA H 36 4.220 4.220 4.344 -0.124 18225 6531 1 19 . 1 1 36 36 MET C C 36 177.903 177.903 177.240 0.663 18225 6532 1 19 . 1 1 36 36 MET CA C 36 58.653 58.653 58.419 0.235 18225 6533 1 19 . 1 1 36 36 MET CB C 36 32.172 32.172 33.002 -0.830 18225 6534 1 19 . 1 1 36 36 MET H H 36 8.252 8.252 7.975 0.277 18225 6535 1 19 . 1 1 37 37 LEU N N 37 119.978 119.978 119.485 0.493 18225 6536 1 19 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.248 -0.220 18225 6537 1 19 . 1 1 37 37 LEU C C 37 178.393 178.393 176.762 1.631 18225 6538 1 19 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.371 2.271 18225 6539 1 19 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.958 1.032 18225 6540 1 19 . 1 1 37 37 LEU H H 37 8.301 8.301 8.007 0.294 18225 6541 1 19 . 1 1 38 38 VAL N N 38 117.991 117.991 116.929 1.062 18225 6542 1 19 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.160 -0.658 18225 6543 1 19 . 1 1 38 38 VAL C C 38 177.962 177.962 174.838 3.124 18225 6544 1 19 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.300 4.855 18225 6545 1 19 . 1 1 38 38 VAL CB C 38 31.415 31.415 32.486 -1.071 18225 6546 1 19 . 1 1 38 38 VAL H H 38 8.414 8.414 7.399 1.015 18225 6547 1 19 . 1 1 39 39 PHE N N 39 119.830 119.830 122.522 -2.692 18225 6548 1 19 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.611 -0.433 18225 6549 1 19 . 1 1 39 39 PHE C C 39 178.233 178.233 175.068 3.165 18225 6550 1 19 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.179 1.324 18225 6551 1 19 . 1 1 39 39 PHE CB C 39 39.058 39.058 41.862 -2.804 18225 6552 1 19 . 1 1 39 39 PHE H H 39 8.337 8.337 7.730 0.607 18225 6553 1 19 . 1 1 40 40 LEU N N 40 119.985 119.985 116.646 3.339 18225 6554 1 19 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.038 -0.072 18225 6555 1 19 . 1 1 40 40 LEU C C 40 179.279 179.279 176.555 2.724 18225 6556 1 19 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.469 1.403 18225 6557 1 19 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.523 0.864 18225 6558 1 19 . 1 1 40 40 LEU H H 40 8.603 8.603 7.857 0.746 18225 6559 1 19 . 1 1 41 41 LEU N N 41 118.649 118.649 112.361 6.288 18225 6560 1 19 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.544 -0.500 18225 6561 1 19 . 1 1 41 41 LEU C C 41 178.670 178.670 178.711 -0.041 18225 6562 1 19 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.416 2.267 18225 6563 1 19 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.605 0.326 18225 6564 1 19 . 1 1 41 41 LEU H H 41 8.486 8.486 7.306 1.180 18225 6565 1 19 . 1 1 42 42 GLY N N 42 105.262 105.262 108.083 -2.821 18225 6566 1 19 . 1 1 42 42 GLY C C 42 174.814 174.814 174.956 -0.142 18225 6567 1 19 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.029 -0.624 18225 6568 1 19 . 1 1 42 42 GLY H H 42 8.289 8.289 8.415 -0.126 18225 6569 1 19 . 1 1 43 43 THR N N 43 111.955 111.955 111.317 0.638 18225 6570 1 19 . 1 1 43 43 THR HA H 43 4.243 4.243 4.437 -0.194 18225 6571 1 19 . 1 1 43 43 THR C C 43 175.888 175.888 176.643 -0.755 18225 6572 1 19 . 1 1 43 43 THR CA C 43 63.505 63.505 63.032 0.473 18225 6573 1 19 . 1 1 43 43 THR CB C 43 69.598 69.598 69.188 0.410 18225 6574 1 19 . 1 1 43 43 THR H H 43 7.891 7.891 7.165 0.726 18225 6575 1 19 . 1 1 44 44 THR N N 44 111.997 111.997 119.199 -7.202 18225 6576 1 19 . 1 1 44 44 THR HA H 44 4.320 4.320 3.892 0.428 18225 6577 1 19 . 1 1 44 44 THR C C 44 175.543 175.543 176.056 -0.513 18225 6578 1 19 . 1 1 44 44 THR CA C 44 63.009 63.009 66.632 -3.623 18225 6579 1 19 . 1 1 44 44 THR CB C 44 69.881 69.881 68.520 1.361 18225 6580 1 19 . 1 1 44 44 THR H H 44 7.740 7.740 7.766 -0.026 18225 6581 1 19 . 1 1 45 45 GLY N N 45 109.564 109.564 107.840 1.724 18225 6582 1 19 . 1 1 45 45 GLY C C 45 174.928 174.928 174.512 0.416 18225 6583 1 19 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.799 1.621 18225 6584 1 19 . 1 1 45 45 GLY H H 45 8.243 8.243 8.240 0.003 18225 6585 1 19 . 1 1 46 46 ASN N N 46 117.851 117.851 119.037 -1.186 18225 6586 1 19 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.335 0.382 18225 6587 1 19 . 1 1 46 46 ASN C C 46 176.127 176.127 175.375 0.752 18225 6588 1 19 . 1 1 46 46 ASN CA C 46 54.614 54.614 54.571 0.043 18225 6589 1 19 . 1 1 46 46 ASN CB C 46 39.311 39.311 37.593 1.718 18225 6590 1 19 . 1 1 46 46 ASN H H 46 8.170 8.170 8.046 0.124 18225 6591 1 19 . 1 1 47 47 GLY N N 47 108.287 108.287 108.018 0.269 18225 6592 1 19 . 1 1 47 47 GLY C C 47 174.612 174.612 174.298 0.314 18225 6593 1 19 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.118 2.123 18225 6594 1 19 . 1 1 47 47 GLY H H 47 8.663 8.663 8.338 0.326 18225 6595 1 19 . 1 1 48 48 LEU N N 48 120.479 120.479 122.614 -2.135 18225 6596 1 19 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.341 -0.073 18225 6597 1 19 . 1 1 48 48 LEU C C 48 179.407 179.407 179.101 0.306 18225 6598 1 19 . 1 1 48 48 LEU CA C 48 57.592 57.592 57.658 -0.066 18225 6599 1 19 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.690 0.048 18225 6600 1 19 . 1 1 48 48 LEU H H 48 8.149 8.149 7.968 0.181 18225 6601 1 19 . 1 1 49 49 VAL N N 49 119.968 119.968 119.433 0.535 18225 6602 1 19 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.819 -0.003 18225 6603 1 19 . 1 1 49 49 VAL C C 49 177.444 177.444 176.967 0.477 18225 6604 1 19 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.149 0.794 18225 6605 1 19 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.511 0.167 18225 6606 1 19 . 1 1 49 49 VAL H H 49 7.969 7.969 8.317 -0.348 18225 6607 1 19 . 1 1 50 50 LEU N N 50 119.329 119.329 116.219 3.110 18225 6608 1 19 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.314 -0.302 18225 6609 1 19 . 1 1 50 50 LEU C C 50 178.085 178.085 177.187 0.898 18225 6610 1 19 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.943 1.974 18225 6611 1 19 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.501 0.206 18225 6612 1 19 . 1 1 50 50 LEU H H 50 7.814 7.814 7.798 0.016 18225 6613 1 19 . 1 1 51 51 TRP N N 51 118.186 118.186 121.550 -3.364 18225 6614 1 19 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.723 -0.234 18225 6615 1 19 . 1 1 51 51 TRP C C 51 177.377 177.377 178.443 -1.066 18225 6616 1 19 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.564 0.494 18225 6617 1 19 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.546 -0.765 18225 6618 1 19 . 1 1 51 51 TRP H H 51 8.125 8.125 8.245 -0.120 18225 6619 1 19 . 1 1 52 52 THR N N 52 113.180 113.180 116.500 -3.320 18225 6620 1 19 . 1 1 52 52 THR HA H 52 3.787 3.787 2.477 1.310 18225 6621 1 19 . 1 1 52 52 THR C C 52 176.309 176.309 176.101 0.208 18225 6622 1 19 . 1 1 52 52 THR CA C 52 66.473 66.473 65.686 0.787 18225 6623 1 19 . 1 1 52 52 THR CB C 52 68.865 68.865 67.833 1.032 18225 6624 1 19 . 1 1 52 52 THR H H 52 8.079 8.079 7.875 0.204 18225 6625 1 19 . 1 1 53 53 VAL N N 53 119.953 119.953 120.409 -0.456 18225 6626 1 19 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.554 0.094 18225 6627 1 19 . 1 1 53 53 VAL C C 53 177.252 177.252 177.497 -0.245 18225 6628 1 19 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.539 0.547 18225 6629 1 19 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.555 0.149 18225 6630 1 19 . 1 1 53 53 VAL H H 53 7.913 7.913 7.584 0.329 18225 6631 1 19 . 1 1 54 54 PHE N N 54 118.204 118.204 118.852 -0.648 18225 6632 1 19 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.116 0.131 18225 6633 1 19 . 1 1 54 54 PHE C C 54 177.144 177.144 176.551 0.593 18225 6634 1 19 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.033 -0.579 18225 6635 1 19 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.149 -0.033 18225 6636 1 19 . 1 1 54 54 PHE H H 54 8.030 8.030 7.833 0.197 18225 6637 1 19 . 1 1 55 55 ARG N N 55 117.725 117.725 117.014 0.711 18225 6638 1 19 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.302 -0.418 18225 6639 1 19 . 1 1 55 55 ARG C C 55 177.443 177.443 177.610 -0.167 18225 6640 1 19 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.590 -0.036 18225 6641 1 19 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.335 -0.528 18225 6642 1 19 . 1 1 55 55 ARG H H 55 8.034 8.034 7.489 0.544 18225 6643 1 19 . 1 1 56 56 LYS N N 56 118.622 118.622 120.333 -1.711 18225 6644 1 19 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.007 0.157 18225 6645 1 19 . 1 1 56 56 LYS C C 56 177.418 177.418 178.371 -0.953 18225 6646 1 19 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.029 -0.512 18225 6647 1 19 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.830 0.978 18225 6648 1 19 . 1 1 56 56 LYS H H 56 7.804 7.804 7.936 -0.132 18225 6649 1 19 . 1 1 57 57 LYS N N 57 118.937 118.937 118.835 0.102 18225 6650 1 19 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.081 0.177 18225 6651 1 19 . 1 1 57 57 LYS C C 57 177.029 177.029 178.184 -1.155 18225 6652 1 19 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.053 -1.443 18225 6653 1 19 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.296 0.582 18225 6654 1 19 . 1 1 57 57 LYS H H 57 7.974 7.974 7.538 0.435 18225 6655 1 19 . 1 1 58 58 GLY N N 58 107.785 107.785 106.018 1.767 18225 6656 1 19 . 1 1 58 58 GLY C C 58 173.543 173.543 174.918 -1.375 18225 6657 1 19 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.171 -0.698 18225 6658 1 19 . 1 1 58 58 GLY H H 58 8.136 8.136 7.962 0.174 18225 6659 1 19 . 1 1 59 59 HIS N N 59 117.024 117.024 117.744 -0.720 18225 6660 1 19 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.644 -0.022 18225 6661 1 19 . 1 1 59 59 HIS C C 59 174.183 174.183 176.072 -1.889 18225 6662 1 19 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.426 -1.145 18225 6663 1 19 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.914 -1.833 18225 6664 1 19 . 1 1 59 59 HIS H H 59 8.163 8.163 7.840 0.323 18225 6665 1 19 . 1 1 60 60 HIS N N 60 118.841 118.841 117.303 1.538 18225 6666 1 19 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.267 0.363 18225 6667 1 19 . 1 1 60 60 HIS C C 60 174.157 174.157 174.417 -0.260 18225 6668 1 19 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.242 -0.902 18225 6669 1 19 . 1 1 60 60 HIS CB C 60 29.104 29.104 28.541 0.563 18225 6670 1 19 . 1 1 60 60 HIS H H 60 8.507 8.507 8.210 0.297 18225 6671 1 19 . 1 1 61 61 HIS N N 61 119.636 119.636 116.481 3.155 18225 6672 1 19 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.181 0.473 18225 6673 1 19 . 1 1 61 61 HIS C C 61 174.095 174.095 173.384 0.711 18225 6674 1 19 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.705 -1.376 18225 6675 1 19 . 1 1 61 61 HIS CB C 61 29.234 29.234 28.510 0.724 18225 6676 1 19 . 1 1 61 61 HIS H H 61 8.613 8.613 8.410 0.203 18225 6677 1 19 . 1 1 62 62 HIS N N 62 120.286 120.286 124.482 -4.196 18225 6678 1 19 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.590 0.070 18225 6679 1 19 . 1 1 62 62 HIS C C 62 173.928 173.928 173.089 0.839 18225 6680 1 19 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.700 -0.344 18225 6681 1 19 . 1 1 62 62 HIS CB C 62 29.329 29.329 32.260 -2.931 18225 6682 1 19 . 1 1 62 62 HIS H H 62 8.680 8.680 8.821 -0.141 18225 6683 1 19 . 1 1 63 63 HIS N N 63 120.408 120.408 122.816 -2.408 18225 6684 1 19 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.333 0.316 18225 6685 1 19 . 1 1 63 63 HIS C C 63 173.437 173.437 173.552 -0.115 18225 6686 1 19 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.798 -0.234 18225 6687 1 19 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.711 -0.228 18225 6688 1 19 . 1 1 63 63 HIS H H 63 8.541 8.541 8.639 -0.098 18225 6689 1 20 . 1 1 2 2 GLU N N 2 123.432 123.432 122.569 0.863 18225 6690 1 20 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.522 -0.113 18225 6691 1 20 . 1 1 2 2 GLU C C 2 175.510 175.510 176.046 -0.536 18225 6692 1 20 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.045 0.171 18225 6693 1 20 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.797 0.741 18225 6694 1 20 . 1 1 2 2 GLU H H 2 8.824 8.824 8.525 0.299 18225 6695 1 20 . 1 1 3 3 GLU N N 3 121.813 121.813 122.164 -0.351 18225 6696 1 20 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.100 0.278 18225 6697 1 20 . 1 1 3 3 GLU C C 3 176.299 176.299 177.415 -1.116 18225 6698 1 20 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.334 -1.042 18225 6699 1 20 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.013 -0.561 18225 6700 1 20 . 1 1 3 3 GLU H H 3 8.546 8.546 8.305 0.241 18225 6701 1 20 . 1 1 4 4 GLY N N 4 109.619 109.619 109.711 -0.092 18225 6702 1 20 . 1 1 4 4 GLY C C 4 174.449 174.449 173.593 0.856 18225 6703 1 20 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.514 1.016 18225 6704 1 20 . 1 1 4 4 GLY H H 4 8.463 8.463 8.566 -0.103 18225 6705 1 20 . 1 1 5 5 GLY N N 5 108.241 108.241 108.904 -0.663 18225 6706 1 20 . 1 1 5 5 GLY C C 5 173.965 173.965 172.589 1.376 18225 6707 1 20 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.526 0.926 18225 6708 1 20 . 1 1 5 5 GLY H H 5 8.220 8.220 7.337 0.883 18225 6709 1 20 . 1 1 6 6 ASP N N 6 119.184 119.184 119.097 0.087 18225 6710 1 20 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.247 0.351 18225 6711 1 20 . 1 1 6 6 ASP C C 6 175.801 175.801 175.364 0.437 18225 6712 1 20 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.107 -1.195 18225 6713 1 20 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.501 -1.166 18225 6714 1 20 . 1 1 6 6 ASP H H 6 8.329 8.329 8.237 0.092 18225 6715 1 20 . 1 1 7 7 PHE N N 7 119.589 119.589 110.749 8.840 18225 6716 1 20 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.607 -0.127 18225 6717 1 20 . 1 1 7 7 PHE C C 7 175.881 175.881 173.985 1.896 18225 6718 1 20 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.123 1.698 18225 6719 1 20 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.063 1.019 18225 6720 1 20 . 1 1 7 7 PHE H H 7 8.342 8.342 7.321 1.021 18225 6721 1 20 . 1 1 8 8 ASP N N 8 118.430 118.430 121.335 -2.905 18225 6722 1 20 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.392 0.064 18225 6723 1 20 . 1 1 8 8 ASP C C 8 175.642 175.642 176.079 -0.437 18225 6724 1 20 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.512 0.091 18225 6725 1 20 . 1 1 8 8 ASP CB C 8 38.584 38.584 38.438 0.146 18225 6726 1 20 . 1 1 8 8 ASP H H 8 8.223 8.223 8.230 -0.007 18225 6727 1 20 . 1 1 9 9 ASN N N 9 117.097 117.097 119.280 -2.183 18225 6728 1 20 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.404 0.155 18225 6729 1 20 . 1 1 9 9 ASN C C 9 175.264 175.264 174.828 0.436 18225 6730 1 20 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.918 0.926 18225 6731 1 20 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.182 -0.467 18225 6732 1 20 . 1 1 9 9 ASN H H 9 8.069 8.069 8.570 -0.501 18225 6733 1 20 . 1 1 10 10 TYR N N 10 119.007 119.007 116.762 2.245 18225 6734 1 20 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.073 0.276 18225 6735 1 20 . 1 1 10 10 TYR C C 10 175.387 175.387 175.723 -0.336 18225 6736 1 20 . 1 1 10 10 TYR CA C 10 59.194 59.194 59.864 -0.670 18225 6737 1 20 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.931 1.897 18225 6738 1 20 . 1 1 10 10 TYR H H 10 7.901 7.901 7.743 0.158 18225 6739 1 20 . 1 1 11 11 TYR N N 11 117.992 117.992 121.797 -3.805 18225 6740 1 20 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.311 0.132 18225 6741 1 20 . 1 1 11 11 TYR C C 11 175.765 175.765 177.265 -1.500 18225 6742 1 20 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.665 -0.293 18225 6743 1 20 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.974 0.820 18225 6744 1 20 . 1 1 11 11 TYR H H 11 7.885 7.885 8.858 -0.973 18225 6745 1 20 . 1 1 12 12 GLY N N 12 108.601 108.601 115.279 -6.678 18225 6746 1 20 . 1 1 12 12 GLY C C 12 173.934 173.934 174.566 -0.632 18225 6747 1 20 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.429 0.060 18225 6748 1 20 . 1 1 12 12 GLY H H 12 7.861 7.861 8.890 -1.029 18225 6749 1 20 . 1 1 13 13 ALA N N 13 122.926 122.926 124.555 -1.629 18225 6750 1 20 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.009 0.270 18225 6751 1 20 . 1 1 13 13 ALA C C 13 177.457 177.457 176.646 0.811 18225 6752 1 20 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.705 0.077 18225 6753 1 20 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.249 2.198 18225 6754 1 20 . 1 1 13 13 ALA H H 13 7.985 7.985 8.318 -0.333 18225 6755 1 20 . 1 1 14 14 ASP N N 14 117.380 117.380 116.066 1.314 18225 6756 1 20 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.332 0.308 18225 6757 1 20 . 1 1 14 14 ASP C C 14 175.428 175.428 175.880 -0.452 18225 6758 1 20 . 1 1 14 14 ASP CA C 14 53.672 53.672 55.657 -1.985 18225 6759 1 20 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.419 -1.054 18225 6760 1 20 . 1 1 14 14 ASP H H 14 8.330 8.330 8.891 -0.561 18225 6761 1 20 . 1 1 15 15 ASN N N 15 118.465 118.465 116.137 2.328 18225 6762 1 20 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.758 -0.119 18225 6763 1 20 . 1 1 15 15 ASN C C 15 175.467 175.467 175.800 -0.333 18225 6764 1 20 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.439 -0.782 18225 6765 1 20 . 1 1 15 15 ASN CB C 15 38.968 38.968 40.331 -1.363 18225 6766 1 20 . 1 1 15 15 ASN H H 15 8.207 8.207 8.375 -0.168 18225 6767 1 20 . 1 1 16 16 GLN N N 16 119.741 119.741 117.258 2.483 18225 6768 1 20 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.542 -0.227 18225 6769 1 20 . 1 1 16 16 GLN C C 16 176.350 176.350 174.516 1.834 18225 6770 1 20 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.880 0.760 18225 6771 1 20 . 1 1 16 16 GLN CB C 16 29.096 29.096 29.589 -0.493 18225 6772 1 20 . 1 1 16 16 GLN H H 16 8.292 8.292 7.934 0.358 18225 6773 1 20 . 1 1 17 17 SER N N 17 115.772 115.772 115.698 0.074 18225 6774 1 20 . 1 1 17 17 SER HA H 17 4.390 4.390 4.682 -0.292 18225 6775 1 20 . 1 1 17 17 SER C C 17 174.799 174.799 173.384 1.415 18225 6776 1 20 . 1 1 17 17 SER CA C 17 59.165 59.165 57.111 2.054 18225 6777 1 20 . 1 1 17 17 SER CB C 17 63.651 63.651 64.708 -1.057 18225 6778 1 20 . 1 1 17 17 SER H H 17 8.224 8.224 7.699 0.525 18225 6779 1 20 . 1 1 18 18 GLU N N 18 121.211 121.211 122.759 -1.548 18225 6780 1 20 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.368 -0.050 18225 6781 1 20 . 1 1 18 18 GLU C C 18 176.201 176.201 175.744 0.457 18225 6782 1 20 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.687 -0.962 18225 6783 1 20 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.160 -0.195 18225 6784 1 20 . 1 1 18 18 GLU H H 18 8.285 8.285 8.739 -0.454 18225 6785 1 20 . 1 1 19 19 CYS N N 19 118.653 118.653 124.322 -5.669 18225 6786 1 20 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.548 -0.124 18225 6787 1 20 . 1 1 19 19 CYS C C 19 174.698 174.698 175.113 -0.415 18225 6788 1 20 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.554 -0.479 18225 6789 1 20 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.294 -1.444 18225 6790 1 20 . 1 1 19 19 CYS H H 19 8.202 8.202 8.596 -0.394 18225 6791 1 20 . 1 1 20 20 GLU N N 20 121.851 121.851 116.468 5.383 18225 6792 1 20 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.418 -0.152 18225 6793 1 20 . 1 1 20 20 GLU C C 20 176.100 176.100 175.596 0.504 18225 6794 1 20 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.092 0.730 18225 6795 1 20 . 1 1 20 20 GLU CB C 20 28.976 28.976 31.003 -2.027 18225 6796 1 20 . 1 1 20 20 GLU H H 20 8.349 8.349 7.978 0.371 18225 6797 1 20 . 1 1 21 21 TYR N N 21 118.491 118.491 121.019 -2.528 18225 6798 1 20 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.910 -0.492 18225 6799 1 20 . 1 1 21 21 TYR C C 21 175.881 175.881 175.309 0.572 18225 6800 1 20 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.506 1.225 18225 6801 1 20 . 1 1 21 21 TYR CB C 21 38.626 38.626 35.936 2.690 18225 6802 1 20 . 1 1 21 21 TYR H H 21 7.974 7.974 7.970 0.004 18225 6803 1 20 . 1 1 22 22 THR N N 22 112.161 112.161 110.589 1.572 18225 6804 1 20 . 1 1 22 22 THR HA H 22 4.105 4.105 4.347 -0.242 18225 6805 1 20 . 1 1 22 22 THR C C 22 174.666 174.666 175.308 -0.642 18225 6806 1 20 . 1 1 22 22 THR CA C 22 63.190 63.190 62.645 0.545 18225 6807 1 20 . 1 1 22 22 THR CB C 22 69.306 69.306 70.486 -1.179 18225 6808 1 20 . 1 1 22 22 THR H H 22 7.747 7.747 7.833 -0.086 18225 6809 1 20 . 1 1 23 23 ASP N N 23 120.529 120.529 124.389 -3.860 18225 6810 1 20 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.565 0.089 18225 6811 1 20 . 1 1 23 23 ASP C C 23 176.119 176.119 177.772 -1.653 18225 6812 1 20 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.415 -2.512 18225 6813 1 20 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.058 -1.920 18225 6814 1 20 . 1 1 23 23 ASP H H 23 8.114 8.114 7.997 0.117 18225 6815 1 20 . 1 1 24 24 TRP N N 24 121.466 121.466 119.267 2.199 18225 6816 1 20 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.636 -0.160 18225 6817 1 20 . 1 1 24 24 TRP C C 24 176.578 176.578 175.298 1.280 18225 6818 1 20 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.417 2.894 18225 6819 1 20 . 1 1 24 24 TRP CB C 24 29.186 29.186 26.817 2.369 18225 6820 1 20 . 1 1 24 24 TRP H H 24 8.034 8.034 8.638 -0.604 18225 6821 1 20 . 1 1 25 25 LYS N N 25 119.430 119.430 120.905 -1.475 18225 6822 1 20 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.719 0.326 18225 6823 1 20 . 1 1 25 25 LYS C C 25 176.798 176.798 175.804 0.994 18225 6824 1 20 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.004 0.757 18225 6825 1 20 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.178 0.231 18225 6826 1 20 . 1 1 25 25 LYS H H 25 7.880 7.880 7.984 -0.104 18225 6827 1 20 . 1 1 26 26 SER N N 26 113.780 113.780 111.896 1.884 18225 6828 1 20 . 1 1 26 26 SER HA H 26 4.461 4.461 4.538 -0.077 18225 6829 1 20 . 1 1 26 26 SER C C 26 174.957 174.957 173.772 1.185 18225 6830 1 20 . 1 1 26 26 SER CA C 26 58.760 58.760 57.557 1.203 18225 6831 1 20 . 1 1 26 26 SER CB C 26 63.889 63.889 64.714 -0.825 18225 6832 1 20 . 1 1 26 26 SER H H 26 7.893 7.893 7.734 0.159 18225 6833 1 20 . 1 1 27 27 SER N N 27 116.730 116.730 120.492 -3.762 18225 6834 1 20 . 1 1 27 27 SER HA H 27 4.328 4.328 4.479 -0.151 18225 6835 1 20 . 1 1 27 27 SER C C 27 175.563 175.563 175.192 0.371 18225 6836 1 20 . 1 1 27 27 SER CA C 27 59.856 59.856 59.305 0.551 18225 6837 1 20 . 1 1 27 27 SER CB C 27 63.819 63.819 63.447 0.372 18225 6838 1 20 . 1 1 27 27 SER H H 27 8.137 8.137 8.876 -0.739 18225 6839 1 20 . 1 1 28 28 GLY N N 28 110.734 110.734 105.623 5.111 18225 6840 1 20 . 1 1 28 28 GLY C C 28 174.314 174.314 174.375 -0.061 18225 6841 1 20 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.817 1.308 18225 6842 1 20 . 1 1 28 28 GLY H H 28 8.477 8.477 8.121 0.356 18225 6843 1 20 . 1 1 29 29 ALA N N 29 121.690 121.690 119.545 2.145 18225 6844 1 20 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.009 0.280 18225 6845 1 20 . 1 1 29 29 ALA C C 29 177.330 177.330 176.705 0.625 18225 6846 1 20 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.564 0.610 18225 6847 1 20 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.839 2.045 18225 6848 1 20 . 1 1 29 29 ALA H H 29 8.189 8.189 8.131 0.058 18225 6849 1 20 . 1 1 30 30 LEU N N 30 117.292 117.292 118.360 -1.068 18225 6850 1 20 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.526 -0.447 18225 6851 1 20 . 1 1 30 30 LEU C C 30 177.377 177.377 178.011 -0.634 18225 6852 1 20 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.088 3.146 18225 6853 1 20 . 1 1 30 30 LEU CB C 30 42.414 42.414 41.695 0.719 18225 6854 1 20 . 1 1 30 30 LEU H H 30 7.873 7.873 8.162 -0.289 18225 6855 1 20 . 1 1 31 31 ILE N N 31 116.517 116.517 120.511 -3.994 18225 6856 1 20 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.211 -0.328 18225 6857 1 20 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.333 0.933 18225 6858 1 20 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.879 -1.123 18225 6859 1 20 . 1 1 31 31 ILE H H 31 8.262 8.262 8.113 0.149 18225 6860 1 20 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.251 -0.039 18225 6861 1 20 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.624 1.369 18225 6862 1 20 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.782 0.210 18225 6863 1 20 . 1 1 33 33 ALA N N 33 118.208 118.208 118.206 0.002 18225 6864 1 20 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.438 -0.372 18225 6865 1 20 . 1 1 33 33 ALA C C 33 178.814 178.814 178.640 0.174 18225 6866 1 20 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.805 2.884 18225 6867 1 20 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.004 -1.625 18225 6868 1 20 . 1 1 33 33 ALA H H 33 7.613 7.613 7.343 0.270 18225 6869 1 20 . 1 1 34 34 ILE N N 34 117.730 117.730 120.867 -3.137 18225 6870 1 20 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.687 -0.022 18225 6871 1 20 . 1 1 34 34 ILE C C 34 177.826 177.826 176.731 1.095 18225 6872 1 20 . 1 1 34 34 ILE CA C 34 65.154 65.154 66.136 -0.982 18225 6873 1 20 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.231 -0.948 18225 6874 1 20 . 1 1 34 34 ILE H H 34 8.259 8.259 7.830 0.429 18225 6875 1 20 . 1 1 35 35 TYR N N 35 118.693 118.693 118.034 0.659 18225 6876 1 20 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.162 -0.069 18225 6877 1 20 . 1 1 35 35 TYR C C 35 177.885 177.885 177.099 0.786 18225 6878 1 20 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.741 0.897 18225 6879 1 20 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.555 -0.631 18225 6880 1 20 . 1 1 35 35 TYR H H 35 8.347 8.347 7.659 0.688 18225 6881 1 20 . 1 1 36 36 MET N N 36 117.356 117.356 119.316 -1.960 18225 6882 1 20 . 1 1 36 36 MET HA H 36 4.220 4.220 4.133 0.087 18225 6883 1 20 . 1 1 36 36 MET C C 36 177.903 177.903 178.068 -0.165 18225 6884 1 20 . 1 1 36 36 MET CA C 36 58.653 58.653 58.515 0.138 18225 6885 1 20 . 1 1 36 36 MET CB C 36 32.172 32.172 33.287 -1.115 18225 6886 1 20 . 1 1 36 36 MET H H 36 8.252 8.252 7.606 0.646 18225 6887 1 20 . 1 1 37 37 LEU N N 37 119.978 119.978 119.396 0.582 18225 6888 1 20 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.134 -0.106 18225 6889 1 20 . 1 1 37 37 LEU C C 37 178.393 178.393 176.310 2.083 18225 6890 1 20 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.597 3.045 18225 6891 1 20 . 1 1 37 37 LEU CB C 37 41.989 41.989 39.793 2.196 18225 6892 1 20 . 1 1 37 37 LEU H H 37 8.301 8.301 8.552 -0.251 18225 6893 1 20 . 1 1 38 38 VAL N N 38 117.991 117.991 117.817 0.174 18225 6894 1 20 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.087 -0.585 18225 6895 1 20 . 1 1 38 38 VAL C C 38 177.962 177.962 176.614 1.348 18225 6896 1 20 . 1 1 38 38 VAL CA C 38 67.155 67.155 64.128 3.027 18225 6897 1 20 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.474 -3.059 18225 6898 1 20 . 1 1 38 38 VAL H H 38 8.414 8.414 8.197 0.217 18225 6899 1 20 . 1 1 39 39 PHE N N 39 119.830 119.830 123.185 -3.355 18225 6900 1 20 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.370 -0.192 18225 6901 1 20 . 1 1 39 39 PHE C C 39 178.233 178.233 175.609 2.624 18225 6902 1 20 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.418 1.085 18225 6903 1 20 . 1 1 39 39 PHE CB C 39 39.058 39.058 40.184 -1.126 18225 6904 1 20 . 1 1 39 39 PHE H H 39 8.337 8.337 7.592 0.745 18225 6905 1 20 . 1 1 40 40 LEU N N 40 119.985 119.985 113.722 6.263 18225 6906 1 20 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.239 -0.273 18225 6907 1 20 . 1 1 40 40 LEU C C 40 179.279 179.279 175.798 3.481 18225 6908 1 20 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.638 3.234 18225 6909 1 20 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.147 0.240 18225 6910 1 20 . 1 1 40 40 LEU H H 40 8.603 8.603 7.150 1.453 18225 6911 1 20 . 1 1 41 41 LEU N N 41 118.649 118.649 117.357 1.292 18225 6912 1 20 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.472 -0.428 18225 6913 1 20 . 1 1 41 41 LEU C C 41 178.670 178.670 176.888 1.782 18225 6914 1 20 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.399 2.284 18225 6915 1 20 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.783 -0.853 18225 6916 1 20 . 1 1 41 41 LEU H H 41 8.486 8.486 7.539 0.947 18225 6917 1 20 . 1 1 42 42 GLY N N 42 105.262 105.262 107.218 -1.956 18225 6918 1 20 . 1 1 42 42 GLY C C 42 174.814 174.814 175.128 -0.314 18225 6919 1 20 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.697 -0.292 18225 6920 1 20 . 1 1 42 42 GLY H H 42 8.289 8.289 7.967 0.322 18225 6921 1 20 . 1 1 43 43 THR N N 43 111.955 111.955 113.680 -1.725 18225 6922 1 20 . 1 1 43 43 THR HA H 43 4.243 4.243 4.477 -0.234 18225 6923 1 20 . 1 1 43 43 THR C C 43 175.888 175.888 176.357 -0.469 18225 6924 1 20 . 1 1 43 43 THR CA C 43 63.505 63.505 63.298 0.207 18225 6925 1 20 . 1 1 43 43 THR CB C 43 69.598 69.598 68.776 0.822 18225 6926 1 20 . 1 1 43 43 THR H H 43 7.891 7.891 7.758 0.133 18225 6927 1 20 . 1 1 44 44 THR N N 44 111.997 111.997 119.033 -7.036 18225 6928 1 20 . 1 1 44 44 THR HA H 44 4.320 4.320 4.006 0.314 18225 6929 1 20 . 1 1 44 44 THR C C 44 175.543 175.543 176.343 -0.800 18225 6930 1 20 . 1 1 44 44 THR CA C 44 63.009 63.009 66.022 -3.013 18225 6931 1 20 . 1 1 44 44 THR CB C 44 69.881 69.881 68.838 1.044 18225 6932 1 20 . 1 1 44 44 THR H H 44 7.740 7.740 8.293 -0.553 18225 6933 1 20 . 1 1 45 45 GLY N N 45 109.564 109.564 108.461 1.103 18225 6934 1 20 . 1 1 45 45 GLY C C 45 174.928 174.928 174.357 0.571 18225 6935 1 20 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.868 0.552 18225 6936 1 20 . 1 1 45 45 GLY H H 45 8.243 8.243 8.127 0.116 18225 6937 1 20 . 1 1 46 46 ASN N N 46 117.851 117.851 118.979 -1.128 18225 6938 1 20 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.763 -0.046 18225 6939 1 20 . 1 1 46 46 ASN C C 46 176.127 176.127 173.891 2.236 18225 6940 1 20 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.548 1.066 18225 6941 1 20 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.916 -0.605 18225 6942 1 20 . 1 1 46 46 ASN H H 46 8.170 8.170 7.683 0.487 18225 6943 1 20 . 1 1 47 47 GLY N N 47 108.287 108.287 110.510 -2.223 18225 6944 1 20 . 1 1 47 47 GLY C C 47 174.612 174.612 172.939 1.673 18225 6945 1 20 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.261 1.980 18225 6946 1 20 . 1 1 47 47 GLY H H 47 8.663 8.663 8.604 0.059 18225 6947 1 20 . 1 1 48 48 LEU N N 48 120.479 120.479 120.348 0.131 18225 6948 1 20 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.890 -0.622 18225 6949 1 20 . 1 1 48 48 LEU C C 48 179.407 179.407 177.792 1.615 18225 6950 1 20 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.511 2.081 18225 6951 1 20 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.042 -1.304 18225 6952 1 20 . 1 1 48 48 LEU H H 48 8.149 8.149 7.842 0.307 18225 6953 1 20 . 1 1 49 49 VAL N N 49 119.968 119.968 121.618 -1.650 18225 6954 1 20 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.993 -0.177 18225 6955 1 20 . 1 1 49 49 VAL C C 49 177.444 177.444 175.467 1.977 18225 6956 1 20 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.293 1.650 18225 6957 1 20 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.630 0.048 18225 6958 1 20 . 1 1 49 49 VAL H H 49 7.969 7.969 7.991 -0.022 18225 6959 1 20 . 1 1 50 50 LEU N N 50 119.329 119.329 114.605 4.724 18225 6960 1 20 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.682 -0.670 18225 6961 1 20 . 1 1 50 50 LEU C C 50 178.085 178.085 175.876 2.209 18225 6962 1 20 . 1 1 50 50 LEU CA C 50 57.917 57.917 54.276 3.641 18225 6963 1 20 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.303 0.403 18225 6964 1 20 . 1 1 50 50 LEU H H 50 7.814 7.814 7.756 0.058 18225 6965 1 20 . 1 1 51 51 TRP N N 51 118.186 118.186 121.993 -3.807 18225 6966 1 20 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.866 -0.377 18225 6967 1 20 . 1 1 51 51 TRP C C 51 177.377 177.377 176.918 0.459 18225 6968 1 20 . 1 1 51 51 TRP CA C 51 60.058 60.058 58.469 1.589 18225 6969 1 20 . 1 1 51 51 TRP CB C 51 29.781 29.781 31.032 -1.251 18225 6970 1 20 . 1 1 51 51 TRP H H 51 8.125 8.125 7.476 0.649 18225 6971 1 20 . 1 1 52 52 THR N N 52 113.180 113.180 115.223 -2.043 18225 6972 1 20 . 1 1 52 52 THR HA H 52 3.787 3.787 2.905 0.882 18225 6973 1 20 . 1 1 52 52 THR C C 52 176.309 176.309 176.643 -0.334 18225 6974 1 20 . 1 1 52 52 THR CA C 52 66.473 66.473 65.386 1.087 18225 6975 1 20 . 1 1 52 52 THR CB C 52 68.865 68.865 67.917 0.948 18225 6976 1 20 . 1 1 52 52 THR H H 52 8.079 8.079 6.990 1.089 18225 6977 1 20 . 1 1 53 53 VAL N N 53 119.953 119.953 120.324 -0.371 18225 6978 1 20 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.506 0.142 18225 6979 1 20 . 1 1 53 53 VAL C C 53 177.252 177.252 176.727 0.525 18225 6980 1 20 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.530 0.556 18225 6981 1 20 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.314 0.390 18225 6982 1 20 . 1 1 53 53 VAL H H 53 7.913 7.913 8.177 -0.264 18225 6983 1 20 . 1 1 54 54 PHE N N 54 118.204 118.204 119.458 -1.254 18225 6984 1 20 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.158 0.089 18225 6985 1 20 . 1 1 54 54 PHE C C 54 177.144 177.144 177.435 -0.291 18225 6986 1 20 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.100 -0.646 18225 6987 1 20 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.882 0.234 18225 6988 1 20 . 1 1 54 54 PHE H H 54 8.030 8.030 7.324 0.706 18225 6989 1 20 . 1 1 55 55 ARG N N 55 117.725 117.725 118.038 -0.313 18225 6990 1 20 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.054 -0.170 18225 6991 1 20 . 1 1 55 55 ARG C C 55 177.443 177.443 176.714 0.729 18225 6992 1 20 . 1 1 55 55 ARG CA C 55 57.554 57.554 58.538 -0.984 18225 6993 1 20 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.973 -0.166 18225 6994 1 20 . 1 1 55 55 ARG H H 55 8.034 8.034 8.129 -0.095 18225 6995 1 20 . 1 1 56 56 LYS N N 56 118.622 118.622 116.054 2.568 18225 6996 1 20 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.574 -0.410 18225 6997 1 20 . 1 1 56 56 LYS C C 56 177.418 177.418 175.987 1.431 18225 6998 1 20 . 1 1 56 56 LYS CA C 56 57.517 57.517 55.044 2.473 18225 6999 1 20 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.159 0.649 18225 7000 1 20 . 1 1 56 56 LYS H H 56 7.804 7.804 7.379 0.425 18225 7001 1 20 . 1 1 57 57 LYS N N 57 118.937 118.937 121.814 -2.877 18225 7002 1 20 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.966 0.292 18225 7003 1 20 . 1 1 57 57 LYS C C 57 177.029 177.029 178.145 -1.116 18225 7004 1 20 . 1 1 57 57 LYS CA C 57 56.610 56.610 59.318 -2.708 18225 7005 1 20 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.642 0.236 18225 7006 1 20 . 1 1 57 57 LYS H H 57 7.974 7.974 8.270 -0.296 18225 7007 1 20 . 1 1 58 58 GLY N N 58 107.785 107.785 106.303 1.482 18225 7008 1 20 . 1 1 58 58 GLY C C 58 173.543 173.543 175.116 -1.573 18225 7009 1 20 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.022 0.451 18225 7010 1 20 . 1 1 58 58 GLY H H 58 8.136 8.136 8.456 -0.320 18225 7011 1 20 . 1 1 59 59 HIS N N 59 117.024 117.024 121.050 -4.026 18225 7012 1 20 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.439 0.183 18225 7013 1 20 . 1 1 59 59 HIS C C 59 174.183 174.183 174.384 -0.201 18225 7014 1 20 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.166 -0.885 18225 7015 1 20 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.367 -1.286 18225 7016 1 20 . 1 1 59 59 HIS H H 59 8.163 8.163 8.327 -0.164 18225 7017 1 20 . 1 1 60 60 HIS N N 60 118.841 118.841 116.993 1.848 18225 7018 1 20 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.933 -0.303 18225 7019 1 20 . 1 1 60 60 HIS C C 60 174.157 174.157 174.091 0.066 18225 7020 1 20 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.904 -0.564 18225 7021 1 20 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.121 -1.017 18225 7022 1 20 . 1 1 60 60 HIS H H 60 8.507 8.507 8.684 -0.177 18225 7023 1 20 . 1 1 61 61 HIS N N 61 119.636 119.636 123.305 -3.669 18225 7024 1 20 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.603 0.051 18225 7025 1 20 . 1 1 61 61 HIS C C 61 174.095 174.095 176.240 -2.145 18225 7026 1 20 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.986 -0.657 18225 7027 1 20 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.683 -1.449 18225 7028 1 20 . 1 1 61 61 HIS H H 61 8.613 8.613 8.797 -0.184 18225 7029 1 20 . 1 1 62 62 HIS N N 62 120.286 120.286 123.423 -3.137 18225 7030 1 20 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.845 -0.185 18225 7031 1 20 . 1 1 62 62 HIS C C 62 173.928 173.928 174.379 -0.451 18225 7032 1 20 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.387 -1.031 18225 7033 1 20 . 1 1 62 62 HIS CB C 62 29.329 29.329 28.198 1.131 18225 7034 1 20 . 1 1 62 62 HIS H H 62 8.680 8.680 9.065 -0.385 18225 7035 1 20 . 1 1 63 63 HIS N N 63 120.408 120.408 121.855 -1.447 18225 7036 1 20 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.718 -0.069 18225 7037 1 20 . 1 1 63 63 HIS C C 63 173.437 173.437 173.862 -0.425 18225 7038 1 20 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.230 -0.666 18225 7039 1 20 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.651 -0.168 18225 7040 1 20 . 1 1 63 63 HIS H H 63 8.541 8.541 7.878 0.663 18225 7041 1 21 . 1 1 2 2 GLU N N 2 123.432 123.432 121.427 2.005 18225 7042 1 21 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.580 -0.171 18225 7043 1 21 . 1 1 2 2 GLU C C 2 175.510 175.510 176.510 -1.000 18225 7044 1 21 . 1 1 2 2 GLU CA C 2 56.216 56.216 55.969 0.247 18225 7045 1 21 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.509 0.029 18225 7046 1 21 . 1 1 2 2 GLU H H 2 8.824 8.824 8.492 0.332 18225 7047 1 21 . 1 1 3 3 GLU N N 3 121.813 121.813 119.911 1.902 18225 7048 1 21 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.145 0.233 18225 7049 1 21 . 1 1 3 3 GLU C C 3 176.299 176.299 177.398 -1.099 18225 7050 1 21 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.928 -0.636 18225 7051 1 21 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.041 -0.589 18225 7052 1 21 . 1 1 3 3 GLU H H 3 8.546 8.546 8.030 0.516 18225 7053 1 21 . 1 1 4 4 GLY N N 4 109.619 109.619 107.459 2.160 18225 7054 1 21 . 1 1 4 4 GLY C C 4 174.449 174.449 174.658 -0.209 18225 7055 1 21 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.674 0.856 18225 7056 1 21 . 1 1 4 4 GLY H H 4 8.463 8.463 8.519 -0.056 18225 7057 1 21 . 1 1 5 5 GLY N N 5 108.241 108.241 106.710 1.531 18225 7058 1 21 . 1 1 5 5 GLY C C 5 173.965 173.965 175.326 -1.361 18225 7059 1 21 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.673 0.779 18225 7060 1 21 . 1 1 5 5 GLY H H 5 8.220 8.220 7.989 0.231 18225 7061 1 21 . 1 1 6 6 ASP N N 6 119.184 119.184 123.615 -4.431 18225 7062 1 21 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.305 0.293 18225 7063 1 21 . 1 1 6 6 ASP C C 6 175.801 175.801 177.965 -2.164 18225 7064 1 21 . 1 1 6 6 ASP CA C 6 53.912 53.912 56.419 -2.507 18225 7065 1 21 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.934 -1.599 18225 7066 1 21 . 1 1 6 6 ASP H H 6 8.329 8.329 8.847 -0.518 18225 7067 1 21 . 1 1 7 7 PHE N N 7 119.589 119.589 119.985 -0.396 18225 7068 1 21 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.272 0.208 18225 7069 1 21 . 1 1 7 7 PHE C C 7 175.881 175.881 176.377 -0.496 18225 7070 1 21 . 1 1 7 7 PHE CA C 7 58.821 58.821 60.267 -1.446 18225 7071 1 21 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.366 -0.284 18225 7072 1 21 . 1 1 7 7 PHE H H 7 8.342 8.342 7.771 0.571 18225 7073 1 21 . 1 1 8 8 ASP N N 8 118.430 118.430 118.956 -0.526 18225 7074 1 21 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.539 -0.083 18225 7075 1 21 . 1 1 8 8 ASP C C 8 175.642 175.642 176.459 -0.817 18225 7076 1 21 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.443 0.160 18225 7077 1 21 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.219 -1.635 18225 7078 1 21 . 1 1 8 8 ASP H H 8 8.223 8.223 8.062 0.161 18225 7079 1 21 . 1 1 9 9 ASN N N 9 117.097 117.097 117.113 -0.016 18225 7080 1 21 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.279 0.280 18225 7081 1 21 . 1 1 9 9 ASN C C 9 175.264 175.264 174.929 0.335 18225 7082 1 21 . 1 1 9 9 ASN CA C 9 53.844 53.844 54.684 -0.840 18225 7083 1 21 . 1 1 9 9 ASN CB C 9 38.715 38.715 37.889 0.827 18225 7084 1 21 . 1 1 9 9 ASN H H 9 8.069 8.069 7.795 0.274 18225 7085 1 21 . 1 1 10 10 TYR N N 10 119.007 119.007 117.218 1.789 18225 7086 1 21 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.489 -0.140 18225 7087 1 21 . 1 1 10 10 TYR C C 10 175.387 175.387 175.048 0.339 18225 7088 1 21 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.860 0.334 18225 7089 1 21 . 1 1 10 10 TYR CB C 10 38.828 38.828 40.421 -1.593 18225 7090 1 21 . 1 1 10 10 TYR H H 10 7.901 7.901 7.191 0.710 18225 7091 1 21 . 1 1 11 11 TYR N N 11 117.992 117.992 119.416 -1.424 18225 7092 1 21 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.152 0.291 18225 7093 1 21 . 1 1 11 11 TYR C C 11 175.765 175.765 175.761 0.004 18225 7094 1 21 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.977 -0.605 18225 7095 1 21 . 1 1 11 11 TYR CB C 11 38.794 38.794 39.091 -0.297 18225 7096 1 21 . 1 1 11 11 TYR H H 11 7.885 7.885 8.221 -0.336 18225 7097 1 21 . 1 1 12 12 GLY N N 12 108.601 108.601 110.207 -1.606 18225 7098 1 21 . 1 1 12 12 GLY C C 12 173.934 173.934 174.240 -0.306 18225 7099 1 21 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.412 0.077 18225 7100 1 21 . 1 1 12 12 GLY H H 12 7.861 7.861 8.165 -0.304 18225 7101 1 21 . 1 1 13 13 ALA N N 13 122.926 122.926 121.701 1.225 18225 7102 1 21 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.235 0.044 18225 7103 1 21 . 1 1 13 13 ALA C C 13 177.457 177.457 178.301 -0.844 18225 7104 1 21 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.359 -0.577 18225 7105 1 21 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.371 0.076 18225 7106 1 21 . 1 1 13 13 ALA H H 13 7.985 7.985 7.888 0.097 18225 7107 1 21 . 1 1 14 14 ASP N N 14 117.380 117.380 118.390 -1.010 18225 7108 1 21 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.389 0.251 18225 7109 1 21 . 1 1 14 14 ASP C C 14 175.428 175.428 177.993 -2.565 18225 7110 1 21 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.243 -2.571 18225 7111 1 21 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.605 -0.240 18225 7112 1 21 . 1 1 14 14 ASP H H 14 8.330 8.330 8.762 -0.432 18225 7113 1 21 . 1 1 15 15 ASN N N 15 118.465 118.465 117.382 1.083 18225 7114 1 21 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.500 0.139 18225 7115 1 21 . 1 1 15 15 ASN C C 15 175.467 175.467 175.994 -0.527 18225 7116 1 21 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.185 -1.528 18225 7117 1 21 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.512 0.456 18225 7118 1 21 . 1 1 15 15 ASN H H 15 8.207 8.207 7.783 0.424 18225 7119 1 21 . 1 1 16 16 GLN N N 16 119.741 119.741 117.702 2.039 18225 7120 1 21 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.504 -0.189 18225 7121 1 21 . 1 1 16 16 GLN C C 16 176.350 176.350 175.237 1.113 18225 7122 1 21 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.646 0.994 18225 7123 1 21 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.454 0.642 18225 7124 1 21 . 1 1 16 16 GLN H H 16 8.292 8.292 7.757 0.535 18225 7125 1 21 . 1 1 17 17 SER N N 17 115.772 115.772 114.529 1.243 18225 7126 1 21 . 1 1 17 17 SER HA H 17 4.390 4.390 4.592 -0.202 18225 7127 1 21 . 1 1 17 17 SER C C 17 174.799 174.799 172.793 2.006 18225 7128 1 21 . 1 1 17 17 SER CA C 17 59.165 59.165 56.890 2.275 18225 7129 1 21 . 1 1 17 17 SER CB C 17 63.651 63.651 65.331 -1.679 18225 7130 1 21 . 1 1 17 17 SER H H 17 8.224 8.224 7.710 0.514 18225 7131 1 21 . 1 1 18 18 GLU N N 18 121.211 121.211 122.008 -0.797 18225 7132 1 21 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.361 -0.043 18225 7133 1 21 . 1 1 18 18 GLU C C 18 176.201 176.201 176.070 0.131 18225 7134 1 21 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.918 -1.193 18225 7135 1 21 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.454 0.511 18225 7136 1 21 . 1 1 18 18 GLU H H 18 8.285 8.285 8.662 -0.377 18225 7137 1 21 . 1 1 19 19 CYS N N 19 118.653 118.653 124.623 -5.970 18225 7138 1 21 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.414 0.009 18225 7139 1 21 . 1 1 19 19 CYS C C 19 174.698 174.698 174.447 0.251 18225 7140 1 21 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.723 -0.648 18225 7141 1 21 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.481 -1.631 18225 7142 1 21 . 1 1 19 19 CYS H H 19 8.202 8.202 8.682 -0.480 18225 7143 1 21 . 1 1 20 20 GLU N N 20 121.851 121.851 116.982 4.869 18225 7144 1 21 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.266 -0.001 18225 7145 1 21 . 1 1 20 20 GLU C C 20 176.100 176.100 173.934 2.166 18225 7146 1 21 . 1 1 20 20 GLU CA C 20 56.822 56.822 55.430 1.392 18225 7147 1 21 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.413 -1.437 18225 7148 1 21 . 1 1 20 20 GLU H H 20 8.349 8.349 7.683 0.666 18225 7149 1 21 . 1 1 21 21 TYR N N 21 118.491 118.491 117.178 1.313 18225 7150 1 21 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.992 -0.574 18225 7151 1 21 . 1 1 21 21 TYR C C 21 175.881 175.881 175.143 0.738 18225 7152 1 21 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.801 0.930 18225 7153 1 21 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.602 -0.976 18225 7154 1 21 . 1 1 21 21 TYR H H 21 7.974 7.974 7.892 0.082 18225 7155 1 21 . 1 1 22 22 THR N N 22 112.161 112.161 111.971 0.190 18225 7156 1 21 . 1 1 22 22 THR HA H 22 4.105 4.105 4.318 -0.213 18225 7157 1 21 . 1 1 22 22 THR C C 22 174.666 174.666 174.862 -0.196 18225 7158 1 21 . 1 1 22 22 THR CA C 22 63.190 63.190 63.141 0.049 18225 7159 1 21 . 1 1 22 22 THR CB C 22 69.306 69.306 69.528 -0.222 18225 7160 1 21 . 1 1 22 22 THR H H 22 7.747 7.747 7.854 -0.107 18225 7161 1 21 . 1 1 23 23 ASP N N 23 120.529 120.529 123.004 -2.475 18225 7162 1 21 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.596 0.058 18225 7163 1 21 . 1 1 23 23 ASP C C 23 176.119 176.119 176.328 -0.209 18225 7164 1 21 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.947 -1.044 18225 7165 1 21 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.731 -1.593 18225 7166 1 21 . 1 1 23 23 ASP H H 23 8.114 8.114 8.455 -0.341 18225 7167 1 21 . 1 1 24 24 TRP N N 24 121.466 121.466 117.973 3.493 18225 7168 1 21 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.795 -0.319 18225 7169 1 21 . 1 1 24 24 TRP C C 24 176.578 176.578 175.096 1.482 18225 7170 1 21 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.139 3.172 18225 7171 1 21 . 1 1 24 24 TRP CB C 24 29.186 29.186 27.967 1.219 18225 7172 1 21 . 1 1 24 24 TRP H H 24 8.034 8.034 7.765 0.269 18225 7173 1 21 . 1 1 25 25 LYS N N 25 119.430 119.430 122.096 -2.666 18225 7174 1 21 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.439 0.606 18225 7175 1 21 . 1 1 25 25 LYS C C 25 176.798 176.798 176.050 0.748 18225 7176 1 21 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.998 0.763 18225 7177 1 21 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.932 -0.523 18225 7178 1 21 . 1 1 25 25 LYS H H 25 7.880 7.880 7.270 0.610 18225 7179 1 21 . 1 1 26 26 SER N N 26 113.780 113.780 118.464 -4.684 18225 7180 1 21 . 1 1 26 26 SER HA H 26 4.461 4.461 4.466 -0.005 18225 7181 1 21 . 1 1 26 26 SER C C 26 174.957 174.957 174.512 0.445 18225 7182 1 21 . 1 1 26 26 SER CA C 26 58.760 58.760 57.130 1.629 18225 7183 1 21 . 1 1 26 26 SER CB C 26 63.889 63.889 62.757 1.132 18225 7184 1 21 . 1 1 26 26 SER H H 26 7.893 7.893 8.024 -0.131 18225 7185 1 21 . 1 1 27 27 SER N N 27 116.730 116.730 119.267 -2.537 18225 7186 1 21 . 1 1 27 27 SER HA H 27 4.328 4.328 4.192 0.136 18225 7187 1 21 . 1 1 27 27 SER C C 27 175.563 175.563 175.372 0.191 18225 7188 1 21 . 1 1 27 27 SER CA C 27 59.856 59.856 58.866 0.990 18225 7189 1 21 . 1 1 27 27 SER CB C 27 63.819 63.819 63.269 0.550 18225 7190 1 21 . 1 1 27 27 SER H H 27 8.137 8.137 8.504 -0.367 18225 7191 1 21 . 1 1 28 28 GLY N N 28 110.734 110.734 107.172 3.562 18225 7192 1 21 . 1 1 28 28 GLY C C 28 174.314 174.314 173.413 0.901 18225 7193 1 21 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.723 1.402 18225 7194 1 21 . 1 1 28 28 GLY H H 28 8.477 8.477 7.677 0.800 18225 7195 1 21 . 1 1 29 29 ALA N N 29 121.690 121.690 121.920 -0.230 18225 7196 1 21 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.071 0.218 18225 7197 1 21 . 1 1 29 29 ALA C C 29 177.330 177.330 177.041 0.289 18225 7198 1 21 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.645 -0.471 18225 7199 1 21 . 1 1 29 29 ALA CB C 29 19.884 19.884 18.213 1.671 18225 7200 1 21 . 1 1 29 29 ALA H H 29 8.189 8.189 8.310 -0.121 18225 7201 1 21 . 1 1 30 30 LEU N N 30 117.292 117.292 116.387 0.905 18225 7202 1 21 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.386 -0.307 18225 7203 1 21 . 1 1 30 30 LEU C C 30 177.377 177.377 177.495 -0.118 18225 7204 1 21 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.154 2.080 18225 7205 1 21 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.920 -0.506 18225 7206 1 21 . 1 1 30 30 LEU H H 30 7.873 7.873 7.862 0.011 18225 7207 1 21 . 1 1 31 31 ILE N N 31 116.517 116.517 121.972 -5.455 18225 7208 1 21 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.072 -0.189 18225 7209 1 21 . 1 1 31 31 ILE CA C 31 66.266 66.266 64.995 1.271 18225 7210 1 21 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.475 -0.719 18225 7211 1 21 . 1 1 31 31 ILE H H 31 8.262 8.262 8.523 -0.261 18225 7212 1 21 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.515 -0.303 18225 7213 1 21 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.382 -0.389 18225 7214 1 21 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.981 0.011 18225 7215 1 21 . 1 1 33 33 ALA N N 33 118.208 118.208 120.887 -2.679 18225 7216 1 21 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.167 -0.101 18225 7217 1 21 . 1 1 33 33 ALA C C 33 178.814 178.814 179.954 -1.140 18225 7218 1 21 . 1 1 33 33 ALA CA C 33 55.689 55.689 55.048 0.641 18225 7219 1 21 . 1 1 33 33 ALA CB C 33 18.379 18.379 18.351 0.028 18225 7220 1 21 . 1 1 33 33 ALA H H 33 7.613 7.613 8.109 -0.496 18225 7221 1 21 . 1 1 34 34 ILE N N 34 117.730 117.730 119.203 -1.473 18225 7222 1 21 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.655 0.010 18225 7223 1 21 . 1 1 34 34 ILE C C 34 177.826 177.826 178.172 -0.346 18225 7224 1 21 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.282 -0.128 18225 7225 1 21 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.037 -0.754 18225 7226 1 21 . 1 1 34 34 ILE H H 34 8.259 8.259 7.457 0.802 18225 7227 1 21 . 1 1 35 35 TYR N N 35 118.693 118.693 120.264 -1.571 18225 7228 1 21 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.175 -0.082 18225 7229 1 21 . 1 1 35 35 TYR C C 35 177.885 177.885 177.384 0.501 18225 7230 1 21 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.380 0.258 18225 7231 1 21 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.650 -0.726 18225 7232 1 21 . 1 1 35 35 TYR H H 35 8.347 8.347 8.280 0.067 18225 7233 1 21 . 1 1 36 36 MET N N 36 117.356 117.356 118.842 -1.486 18225 7234 1 21 . 1 1 36 36 MET HA H 36 4.220 4.220 3.784 0.436 18225 7235 1 21 . 1 1 36 36 MET C C 36 177.903 177.903 178.595 -0.692 18225 7236 1 21 . 1 1 36 36 MET CA C 36 58.653 58.653 57.876 0.777 18225 7237 1 21 . 1 1 36 36 MET CB C 36 32.172 32.172 32.119 0.053 18225 7238 1 21 . 1 1 36 36 MET H H 36 8.252 8.252 8.272 -0.020 18225 7239 1 21 . 1 1 37 37 LEU N N 37 119.978 119.978 117.153 2.825 18225 7240 1 21 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.050 -0.022 18225 7241 1 21 . 1 1 37 37 LEU C C 37 178.393 178.393 178.656 -0.263 18225 7242 1 21 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.286 1.356 18225 7243 1 21 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.564 0.425 18225 7244 1 21 . 1 1 37 37 LEU H H 37 8.301 8.301 8.231 0.070 18225 7245 1 21 . 1 1 38 38 VAL N N 38 117.991 117.991 116.281 1.710 18225 7246 1 21 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.027 -0.525 18225 7247 1 21 . 1 1 38 38 VAL C C 38 177.962 177.962 176.987 0.975 18225 7248 1 21 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.852 4.303 18225 7249 1 21 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.782 -0.367 18225 7250 1 21 . 1 1 38 38 VAL H H 38 8.414 8.414 7.449 0.964 18225 7251 1 21 . 1 1 39 39 PHE N N 39 119.830 119.830 122.213 -2.383 18225 7252 1 21 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.140 0.038 18225 7253 1 21 . 1 1 39 39 PHE C C 39 178.233 178.233 175.776 2.457 18225 7254 1 21 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.900 0.603 18225 7255 1 21 . 1 1 39 39 PHE CB C 39 39.058 39.058 38.906 0.152 18225 7256 1 21 . 1 1 39 39 PHE H H 39 8.337 8.337 7.710 0.627 18225 7257 1 21 . 1 1 40 40 LEU N N 40 119.985 119.985 110.891 9.094 18225 7258 1 21 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.142 -0.176 18225 7259 1 21 . 1 1 40 40 LEU C C 40 179.279 179.279 175.835 3.444 18225 7260 1 21 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.652 3.220 18225 7261 1 21 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.209 0.178 18225 7262 1 21 . 1 1 40 40 LEU H H 40 8.603 8.603 7.046 1.557 18225 7263 1 21 . 1 1 41 41 LEU N N 41 118.649 118.649 119.845 -1.196 18225 7264 1 21 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.442 -0.398 18225 7265 1 21 . 1 1 41 41 LEU C C 41 178.670 178.670 176.556 2.114 18225 7266 1 21 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.285 3.398 18225 7267 1 21 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.869 0.062 18225 7268 1 21 . 1 1 41 41 LEU H H 41 8.486 8.486 7.336 1.150 18225 7269 1 21 . 1 1 42 42 GLY N N 42 105.262 105.262 107.893 -2.631 18225 7270 1 21 . 1 1 42 42 GLY C C 42 174.814 174.814 174.498 0.316 18225 7271 1 21 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.169 0.236 18225 7272 1 21 . 1 1 42 42 GLY H H 42 8.289 8.289 8.475 -0.186 18225 7273 1 21 . 1 1 43 43 THR N N 43 111.955 111.955 114.996 -3.041 18225 7274 1 21 . 1 1 43 43 THR HA H 43 4.243 4.243 4.707 -0.464 18225 7275 1 21 . 1 1 43 43 THR C C 43 175.888 175.888 175.759 0.129 18225 7276 1 21 . 1 1 43 43 THR CA C 43 63.505 63.505 62.662 0.843 18225 7277 1 21 . 1 1 43 43 THR CB C 43 69.598 69.598 70.404 -0.806 18225 7278 1 21 . 1 1 43 43 THR H H 43 7.891 7.891 7.918 -0.027 18225 7279 1 21 . 1 1 44 44 THR N N 44 111.997 111.997 117.267 -5.270 18225 7280 1 21 . 1 1 44 44 THR HA H 44 4.320 4.320 3.970 0.350 18225 7281 1 21 . 1 1 44 44 THR C C 44 175.543 175.543 175.901 -0.358 18225 7282 1 21 . 1 1 44 44 THR CA C 44 63.009 63.009 65.718 -2.709 18225 7283 1 21 . 1 1 44 44 THR CB C 44 69.881 69.881 68.900 0.981 18225 7284 1 21 . 1 1 44 44 THR H H 44 7.740 7.740 7.533 0.207 18225 7285 1 21 . 1 1 45 45 GLY N N 45 109.564 109.564 108.750 0.814 18225 7286 1 21 . 1 1 45 45 GLY C C 45 174.928 174.928 173.998 0.930 18225 7287 1 21 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.397 1.023 18225 7288 1 21 . 1 1 45 45 GLY H H 45 8.243 8.243 8.210 0.033 18225 7289 1 21 . 1 1 46 46 ASN N N 46 117.851 117.851 117.369 0.482 18225 7290 1 21 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.440 0.277 18225 7291 1 21 . 1 1 46 46 ASN C C 46 176.127 176.127 175.314 0.813 18225 7292 1 21 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.469 1.145 18225 7293 1 21 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.260 1.051 18225 7294 1 21 . 1 1 46 46 ASN H H 46 8.170 8.170 8.006 0.164 18225 7295 1 21 . 1 1 47 47 GLY N N 47 108.287 108.287 110.222 -1.935 18225 7296 1 21 . 1 1 47 47 GLY C C 47 174.612 174.612 174.520 0.092 18225 7297 1 21 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.060 2.181 18225 7298 1 21 . 1 1 47 47 GLY H H 47 8.663 8.663 8.409 0.254 18225 7299 1 21 . 1 1 48 48 LEU N N 48 120.479 120.479 121.945 -1.466 18225 7300 1 21 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.797 -0.529 18225 7301 1 21 . 1 1 48 48 LEU C C 48 179.407 179.407 177.407 2.000 18225 7302 1 21 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.596 1.996 18225 7303 1 21 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.256 -0.518 18225 7304 1 21 . 1 1 48 48 LEU H H 48 8.149 8.149 8.132 0.017 18225 7305 1 21 . 1 1 49 49 VAL N N 49 119.968 119.968 113.469 6.499 18225 7306 1 21 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.190 -0.374 18225 7307 1 21 . 1 1 49 49 VAL C C 49 177.444 177.444 175.056 2.388 18225 7308 1 21 . 1 1 49 49 VAL CA C 49 65.943 65.943 62.519 3.424 18225 7309 1 21 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.634 0.045 18225 7310 1 21 . 1 1 49 49 VAL H H 49 7.969 7.969 7.667 0.302 18225 7311 1 21 . 1 1 50 50 LEU N N 50 119.329 119.329 113.614 5.715 18225 7312 1 21 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.722 -0.710 18225 7313 1 21 . 1 1 50 50 LEU C C 50 178.085 178.085 176.618 1.467 18225 7314 1 21 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.291 2.626 18225 7315 1 21 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.249 -0.543 18225 7316 1 21 . 1 1 50 50 LEU H H 50 7.814 7.814 7.649 0.165 18225 7317 1 21 . 1 1 51 51 TRP N N 51 118.186 118.186 122.862 -4.676 18225 7318 1 21 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.700 -0.211 18225 7319 1 21 . 1 1 51 51 TRP C C 51 177.377 177.377 178.077 -0.700 18225 7320 1 21 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.324 0.734 18225 7321 1 21 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.093 -0.312 18225 7322 1 21 . 1 1 51 51 TRP H H 51 8.125 8.125 7.742 0.383 18225 7323 1 21 . 1 1 52 52 THR N N 52 113.180 113.180 115.609 -2.429 18225 7324 1 21 . 1 1 52 52 THR HA H 52 3.787 3.787 3.120 0.667 18225 7325 1 21 . 1 1 52 52 THR C C 52 176.309 176.309 175.321 0.988 18225 7326 1 21 . 1 1 52 52 THR CA C 52 66.473 66.473 64.545 1.928 18225 7327 1 21 . 1 1 52 52 THR CB C 52 68.865 68.865 67.635 1.230 18225 7328 1 21 . 1 1 52 52 THR H H 52 8.079 8.079 8.107 -0.027 18225 7329 1 21 . 1 1 53 53 VAL N N 53 119.953 119.953 118.785 1.168 18225 7330 1 21 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.824 -0.176 18225 7331 1 21 . 1 1 53 53 VAL C C 53 177.252 177.252 176.811 0.441 18225 7332 1 21 . 1 1 53 53 VAL CA C 53 66.086 66.086 63.899 2.187 18225 7333 1 21 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.559 0.145 18225 7334 1 21 . 1 1 53 53 VAL H H 53 7.913 7.913 7.468 0.445 18225 7335 1 21 . 1 1 54 54 PHE N N 54 118.204 118.204 121.970 -3.766 18225 7336 1 21 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.204 0.043 18225 7337 1 21 . 1 1 54 54 PHE C C 54 177.144 177.144 176.155 0.989 18225 7338 1 21 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.856 -0.402 18225 7339 1 21 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.469 -0.353 18225 7340 1 21 . 1 1 54 54 PHE H H 54 8.030 8.030 8.388 -0.358 18225 7341 1 21 . 1 1 55 55 ARG N N 55 117.725 117.725 116.389 1.336 18225 7342 1 21 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.253 -0.369 18225 7343 1 21 . 1 1 55 55 ARG C C 55 177.443 177.443 176.641 0.802 18225 7344 1 21 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.185 1.369 18225 7345 1 21 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.906 -1.099 18225 7346 1 21 . 1 1 55 55 ARG H H 55 8.034 8.034 7.748 0.286 18225 7347 1 21 . 1 1 56 56 LYS N N 56 118.622 118.622 118.789 -0.167 18225 7348 1 21 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.391 -0.227 18225 7349 1 21 . 1 1 56 56 LYS C C 56 177.418 177.418 176.510 0.908 18225 7350 1 21 . 1 1 56 56 LYS CA C 56 57.517 57.517 54.448 3.069 18225 7351 1 21 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.027 0.781 18225 7352 1 21 . 1 1 56 56 LYS H H 56 7.804 7.804 7.522 0.282 18225 7353 1 21 . 1 1 57 57 LYS N N 57 118.937 118.937 123.149 -4.212 18225 7354 1 21 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.060 0.198 18225 7355 1 21 . 1 1 57 57 LYS C C 57 177.029 177.029 177.474 -0.445 18225 7356 1 21 . 1 1 57 57 LYS CA C 57 56.610 56.610 55.901 0.709 18225 7357 1 21 . 1 1 57 57 LYS CB C 57 32.878 32.878 30.646 2.232 18225 7358 1 21 . 1 1 57 57 LYS H H 57 7.974 7.974 7.662 0.312 18225 7359 1 21 . 1 1 58 58 GLY N N 58 107.785 107.785 111.149 -3.364 18225 7360 1 21 . 1 1 58 58 GLY C C 58 173.543 173.543 174.409 -0.866 18225 7361 1 21 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.510 -1.037 18225 7362 1 21 . 1 1 58 58 GLY H H 58 8.136 8.136 8.745 -0.609 18225 7363 1 21 . 1 1 59 59 HIS N N 59 117.024 117.024 117.776 -0.752 18225 7364 1 21 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.599 0.023 18225 7365 1 21 . 1 1 59 59 HIS C C 59 174.183 174.183 174.207 -0.024 18225 7366 1 21 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.651 -0.370 18225 7367 1 21 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.234 -1.153 18225 7368 1 21 . 1 1 59 59 HIS H H 59 8.163 8.163 7.761 0.402 18225 7369 1 21 . 1 1 60 60 HIS N N 60 118.841 118.841 122.740 -3.899 18225 7370 1 21 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.118 0.512 18225 7371 1 21 . 1 1 60 60 HIS C C 60 174.157 174.157 173.095 1.062 18225 7372 1 21 . 1 1 60 60 HIS CA C 60 55.340 55.340 57.140 -1.800 18225 7373 1 21 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.928 -0.824 18225 7374 1 21 . 1 1 60 60 HIS H H 60 8.507 8.507 8.503 0.004 18225 7375 1 21 . 1 1 61 61 HIS N N 61 119.636 119.636 117.194 2.442 18225 7376 1 21 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.744 -0.090 18225 7377 1 21 . 1 1 61 61 HIS C C 61 174.095 174.095 174.627 -0.532 18225 7378 1 21 . 1 1 61 61 HIS CA C 61 55.329 55.329 54.996 0.333 18225 7379 1 21 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.780 -2.546 18225 7380 1 21 . 1 1 61 61 HIS H H 61 8.613 8.613 8.096 0.517 18225 7381 1 21 . 1 1 62 62 HIS N N 62 120.286 120.286 120.103 0.183 18225 7382 1 21 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.181 0.479 18225 7383 1 21 . 1 1 62 62 HIS C C 62 173.928 173.928 173.898 0.030 18225 7384 1 21 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.934 -1.577 18225 7385 1 21 . 1 1 62 62 HIS CB C 62 29.329 29.329 28.361 0.968 18225 7386 1 21 . 1 1 62 62 HIS H H 62 8.680 8.680 8.541 0.139 18225 7387 1 21 . 1 1 63 63 HIS N N 63 120.408 120.408 122.800 -2.392 18225 7388 1 21 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.490 0.159 18225 7389 1 21 . 1 1 63 63 HIS C C 63 173.437 173.437 173.804 -0.367 18225 7390 1 21 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.450 0.114 18225 7391 1 21 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.860 -0.377 18225 7392 1 21 . 1 1 63 63 HIS H H 63 8.541 8.541 8.505 0.036 18225 7393 1 22 . 1 1 2 2 GLU N N 2 123.432 123.432 125.167 -1.735 18225 7394 1 22 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.512 -0.103 18225 7395 1 22 . 1 1 2 2 GLU C C 2 175.510 175.510 175.957 -0.447 18225 7396 1 22 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.004 0.212 18225 7397 1 22 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.563 0.975 18225 7398 1 22 . 1 1 2 2 GLU H H 2 8.824 8.824 8.635 0.189 18225 7399 1 22 . 1 1 3 3 GLU N N 3 121.813 121.813 120.376 1.437 18225 7400 1 22 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.199 0.179 18225 7401 1 22 . 1 1 3 3 GLU C C 3 176.299 176.299 177.300 -1.001 18225 7402 1 22 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.227 -0.935 18225 7403 1 22 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.217 -0.765 18225 7404 1 22 . 1 1 3 3 GLU H H 3 8.546 8.546 7.856 0.690 18225 7405 1 22 . 1 1 4 4 GLY N N 4 109.619 109.619 110.268 -0.649 18225 7406 1 22 . 1 1 4 4 GLY C C 4 174.449 174.449 174.415 0.034 18225 7407 1 22 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.416 1.114 18225 7408 1 22 . 1 1 4 4 GLY H H 4 8.463 8.463 8.415 0.048 18225 7409 1 22 . 1 1 5 5 GLY N N 5 108.241 108.241 107.212 1.029 18225 7410 1 22 . 1 1 5 5 GLY C C 5 173.965 173.965 174.650 -0.685 18225 7411 1 22 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.228 1.224 18225 7412 1 22 . 1 1 5 5 GLY H H 5 8.220 8.220 7.825 0.395 18225 7413 1 22 . 1 1 6 6 ASP N N 6 119.184 119.184 119.031 0.153 18225 7414 1 22 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.407 0.191 18225 7415 1 22 . 1 1 6 6 ASP C C 6 175.801 175.801 177.028 -1.227 18225 7416 1 22 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.762 -1.850 18225 7417 1 22 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.949 -1.614 18225 7418 1 22 . 1 1 6 6 ASP H H 6 8.329 8.329 8.585 -0.256 18225 7419 1 22 . 1 1 7 7 PHE N N 7 119.589 119.589 119.072 0.517 18225 7420 1 22 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.283 0.197 18225 7421 1 22 . 1 1 7 7 PHE C C 7 175.881 175.881 176.775 -0.894 18225 7422 1 22 . 1 1 7 7 PHE CA C 7 58.821 58.821 59.988 -1.167 18225 7423 1 22 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.031 0.051 18225 7424 1 22 . 1 1 7 7 PHE H H 7 8.342 8.342 7.952 0.390 18225 7425 1 22 . 1 1 8 8 ASP N N 8 118.430 118.430 118.441 -0.011 18225 7426 1 22 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.587 -0.131 18225 7427 1 22 . 1 1 8 8 ASP C C 8 175.642 175.642 175.625 0.017 18225 7428 1 22 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.392 -0.789 18225 7429 1 22 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.688 -3.104 18225 7430 1 22 . 1 1 8 8 ASP H H 8 8.223 8.223 8.616 -0.393 18225 7431 1 22 . 1 1 9 9 ASN N N 9 117.097 117.097 120.892 -3.795 18225 7432 1 22 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.595 -0.036 18225 7433 1 22 . 1 1 9 9 ASN C C 9 175.264 175.264 175.884 -0.620 18225 7434 1 22 . 1 1 9 9 ASN CA C 9 53.844 53.844 54.068 -0.224 18225 7435 1 22 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.942 -0.227 18225 7436 1 22 . 1 1 9 9 ASN H H 9 8.069 8.069 8.610 -0.541 18225 7437 1 22 . 1 1 10 10 TYR N N 10 119.007 119.007 118.299 0.708 18225 7438 1 22 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.511 -0.162 18225 7439 1 22 . 1 1 10 10 TYR C C 10 175.387 175.387 175.660 -0.273 18225 7440 1 22 . 1 1 10 10 TYR CA C 10 59.194 59.194 59.352 -0.158 18225 7441 1 22 . 1 1 10 10 TYR CB C 10 38.828 38.828 39.072 -0.244 18225 7442 1 22 . 1 1 10 10 TYR H H 10 7.901 7.901 7.862 0.039 18225 7443 1 22 . 1 1 11 11 TYR N N 11 117.992 117.992 117.813 0.179 18225 7444 1 22 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.314 0.129 18225 7445 1 22 . 1 1 11 11 TYR C C 11 175.765 175.765 175.870 -0.105 18225 7446 1 22 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.263 0.109 18225 7447 1 22 . 1 1 11 11 TYR CB C 11 38.794 38.794 39.276 -0.482 18225 7448 1 22 . 1 1 11 11 TYR H H 11 7.885 7.885 8.409 -0.524 18225 7449 1 22 . 1 1 12 12 GLY N N 12 108.601 108.601 109.105 -0.504 18225 7450 1 22 . 1 1 12 12 GLY C C 12 173.934 173.934 175.051 -1.117 18225 7451 1 22 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.552 -0.063 18225 7452 1 22 . 1 1 12 12 GLY H H 12 7.861 7.861 8.123 -0.262 18225 7453 1 22 . 1 1 13 13 ALA N N 13 122.926 122.926 122.139 0.787 18225 7454 1 22 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.138 0.141 18225 7455 1 22 . 1 1 13 13 ALA C C 13 177.457 177.457 178.861 -1.404 18225 7456 1 22 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.917 -1.135 18225 7457 1 22 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.079 0.368 18225 7458 1 22 . 1 1 13 13 ALA H H 13 7.985 7.985 8.159 -0.174 18225 7459 1 22 . 1 1 14 14 ASP N N 14 117.380 117.380 117.360 0.020 18225 7460 1 22 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.374 0.266 18225 7461 1 22 . 1 1 14 14 ASP C C 14 175.428 175.428 178.131 -2.703 18225 7462 1 22 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.123 -2.451 18225 7463 1 22 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.651 -1.286 18225 7464 1 22 . 1 1 14 14 ASP H H 14 8.330 8.330 8.735 -0.405 18225 7465 1 22 . 1 1 15 15 ASN N N 15 118.465 118.465 117.729 0.736 18225 7466 1 22 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.523 0.116 18225 7467 1 22 . 1 1 15 15 ASN C C 15 175.467 175.467 176.487 -1.020 18225 7468 1 22 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.238 -1.581 18225 7469 1 22 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.747 0.221 18225 7470 1 22 . 1 1 15 15 ASN H H 15 8.207 8.207 7.582 0.625 18225 7471 1 22 . 1 1 16 16 GLN N N 16 119.741 119.741 116.808 2.933 18225 7472 1 22 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.594 -0.279 18225 7473 1 22 . 1 1 16 16 GLN C C 16 176.350 176.350 175.304 1.046 18225 7474 1 22 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.073 1.567 18225 7475 1 22 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.419 0.677 18225 7476 1 22 . 1 1 16 16 GLN H H 16 8.292 8.292 7.843 0.449 18225 7477 1 22 . 1 1 17 17 SER N N 17 115.772 115.772 115.824 -0.052 18225 7478 1 22 . 1 1 17 17 SER HA H 17 4.390 4.390 4.599 -0.209 18225 7479 1 22 . 1 1 17 17 SER C C 17 174.799 174.799 173.925 0.874 18225 7480 1 22 . 1 1 17 17 SER CA C 17 59.165 59.165 57.038 2.127 18225 7481 1 22 . 1 1 17 17 SER CB C 17 63.651 63.651 65.371 -1.720 18225 7482 1 22 . 1 1 17 17 SER H H 17 8.224 8.224 7.714 0.510 18225 7483 1 22 . 1 1 18 18 GLU N N 18 121.211 121.211 122.411 -1.200 18225 7484 1 22 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.257 0.061 18225 7485 1 22 . 1 1 18 18 GLU C C 18 176.201 176.201 175.516 0.685 18225 7486 1 22 . 1 1 18 18 GLU CA C 18 56.725 56.725 58.349 -1.624 18225 7487 1 22 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.104 0.861 18225 7488 1 22 . 1 1 18 18 GLU H H 18 8.285 8.285 8.857 -0.572 18225 7489 1 22 . 1 1 19 19 CYS N N 19 118.653 118.653 121.772 -3.119 18225 7490 1 22 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.685 -0.262 18225 7491 1 22 . 1 1 19 19 CYS C C 19 174.698 174.698 174.616 0.082 18225 7492 1 22 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.335 -0.260 18225 7493 1 22 . 1 1 19 19 CYS CB C 19 27.850 27.850 30.685 -2.835 18225 7494 1 22 . 1 1 19 19 CYS H H 19 8.202 8.202 9.031 -0.829 18225 7495 1 22 . 1 1 20 20 GLU N N 20 121.851 121.851 118.034 3.817 18225 7496 1 22 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.443 -0.178 18225 7497 1 22 . 1 1 20 20 GLU C C 20 176.100 176.100 174.968 1.132 18225 7498 1 22 . 1 1 20 20 GLU CA C 20 56.822 56.822 55.940 0.882 18225 7499 1 22 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.325 -1.349 18225 7500 1 22 . 1 1 20 20 GLU H H 20 8.349 8.349 8.059 0.290 18225 7501 1 22 . 1 1 21 21 TYR N N 21 118.491 118.491 117.829 0.662 18225 7502 1 22 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.172 -0.754 18225 7503 1 22 . 1 1 21 21 TYR C C 21 175.881 175.881 174.975 0.906 18225 7504 1 22 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.166 0.565 18225 7505 1 22 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.967 -0.341 18225 7506 1 22 . 1 1 21 21 TYR H H 21 7.974 7.974 8.044 -0.070 18225 7507 1 22 . 1 1 22 22 THR N N 22 112.161 112.161 112.655 -0.494 18225 7508 1 22 . 1 1 22 22 THR HA H 22 4.105 4.105 4.424 -0.319 18225 7509 1 22 . 1 1 22 22 THR C C 22 174.666 174.666 174.237 0.429 18225 7510 1 22 . 1 1 22 22 THR CA C 22 63.190 63.190 62.861 0.329 18225 7511 1 22 . 1 1 22 22 THR CB C 22 69.306 69.306 69.511 -0.205 18225 7512 1 22 . 1 1 22 22 THR H H 22 7.747 7.747 7.870 -0.123 18225 7513 1 22 . 1 1 23 23 ASP N N 23 120.529 120.529 122.499 -1.970 18225 7514 1 22 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.536 0.118 18225 7515 1 22 . 1 1 23 23 ASP C C 23 176.119 176.119 177.994 -1.875 18225 7516 1 22 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.994 -2.091 18225 7517 1 22 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.885 -1.747 18225 7518 1 22 . 1 1 23 23 ASP H H 23 8.114 8.114 8.286 -0.172 18225 7519 1 22 . 1 1 24 24 TRP N N 24 121.466 121.466 120.256 1.210 18225 7520 1 22 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.236 0.240 18225 7521 1 22 . 1 1 24 24 TRP C C 24 176.578 176.578 177.192 -0.614 18225 7522 1 22 . 1 1 24 24 TRP CA C 24 58.311 58.311 58.206 0.105 18225 7523 1 22 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.423 0.763 18225 7524 1 22 . 1 1 24 24 TRP H H 24 8.034 8.034 8.564 -0.530 18225 7525 1 22 . 1 1 25 25 LYS N N 25 119.430 119.430 118.083 1.347 18225 7526 1 22 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.842 1.203 18225 7527 1 22 . 1 1 25 25 LYS C C 25 176.798 176.798 176.977 -0.179 18225 7528 1 22 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.797 -0.035 18225 7529 1 22 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.051 1.358 18225 7530 1 22 . 1 1 25 25 LYS H H 25 7.880 7.880 6.690 1.190 18225 7531 1 22 . 1 1 26 26 SER N N 26 113.780 113.780 113.537 0.243 18225 7532 1 22 . 1 1 26 26 SER HA H 26 4.461 4.461 4.271 0.190 18225 7533 1 22 . 1 1 26 26 SER C C 26 174.957 174.957 174.298 0.659 18225 7534 1 22 . 1 1 26 26 SER CA C 26 58.760 58.760 59.254 -0.494 18225 7535 1 22 . 1 1 26 26 SER CB C 26 63.889 63.889 63.734 0.155 18225 7536 1 22 . 1 1 26 26 SER H H 26 7.893 7.893 8.094 -0.201 18225 7537 1 22 . 1 1 27 27 SER N N 27 116.730 116.730 113.821 2.909 18225 7538 1 22 . 1 1 27 27 SER HA H 27 4.328 4.328 4.278 0.050 18225 7539 1 22 . 1 1 27 27 SER C C 27 175.563 175.563 174.288 1.275 18225 7540 1 22 . 1 1 27 27 SER CA C 27 59.856 59.856 59.919 -0.063 18225 7541 1 22 . 1 1 27 27 SER CB C 27 63.819 63.819 62.544 1.275 18225 7542 1 22 . 1 1 27 27 SER H H 27 8.137 8.137 8.484 -0.347 18225 7543 1 22 . 1 1 28 28 GLY N N 28 110.734 110.734 104.152 6.582 18225 7544 1 22 . 1 1 28 28 GLY C C 28 174.314 174.314 173.183 1.131 18225 7545 1 22 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.005 1.120 18225 7546 1 22 . 1 1 28 28 GLY H H 28 8.477 8.477 7.954 0.523 18225 7547 1 22 . 1 1 29 29 ALA N N 29 121.690 121.690 121.074 0.616 18225 7548 1 22 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.430 -0.141 18225 7549 1 22 . 1 1 29 29 ALA C C 29 177.330 177.330 176.408 0.922 18225 7550 1 22 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.384 -0.210 18225 7551 1 22 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.229 0.655 18225 7552 1 22 . 1 1 29 29 ALA H H 29 8.189 8.189 7.815 0.374 18225 7553 1 22 . 1 1 30 30 LEU N N 30 117.292 117.292 117.904 -0.612 18225 7554 1 22 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.348 -0.269 18225 7555 1 22 . 1 1 30 30 LEU C C 30 177.377 177.377 177.846 -0.469 18225 7556 1 22 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.162 2.072 18225 7557 1 22 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.116 0.298 18225 7558 1 22 . 1 1 30 30 LEU H H 30 7.873 7.873 7.745 0.128 18225 7559 1 22 . 1 1 31 31 ILE N N 31 116.517 116.517 120.727 -4.210 18225 7560 1 22 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.088 -0.205 18225 7561 1 22 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.851 2.415 18225 7562 1 22 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.723 -0.967 18225 7563 1 22 . 1 1 31 31 ILE H H 31 8.262 8.262 8.164 0.098 18225 7564 1 22 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.243 -0.031 18225 7565 1 22 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.565 1.428 18225 7566 1 22 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.631 0.361 18225 7567 1 22 . 1 1 33 33 ALA N N 33 118.208 118.208 119.437 -1.229 18225 7568 1 22 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.456 -0.390 18225 7569 1 22 . 1 1 33 33 ALA C C 33 178.814 178.814 178.641 0.173 18225 7570 1 22 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.612 3.077 18225 7571 1 22 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.758 -1.379 18225 7572 1 22 . 1 1 33 33 ALA H H 33 7.613 7.613 7.250 0.363 18225 7573 1 22 . 1 1 34 34 ILE N N 34 117.730 117.730 120.994 -3.264 18225 7574 1 22 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.649 0.016 18225 7575 1 22 . 1 1 34 34 ILE C C 34 177.826 177.826 177.560 0.266 18225 7576 1 22 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.055 0.099 18225 7577 1 22 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.910 -0.627 18225 7578 1 22 . 1 1 34 34 ILE H H 34 8.259 8.259 7.779 0.480 18225 7579 1 22 . 1 1 35 35 TYR N N 35 118.693 118.693 119.655 -0.962 18225 7580 1 22 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.281 -0.188 18225 7581 1 22 . 1 1 35 35 TYR C C 35 177.885 177.885 177.140 0.745 18225 7582 1 22 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.251 0.387 18225 7583 1 22 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.907 -0.983 18225 7584 1 22 . 1 1 35 35 TYR H H 35 8.347 8.347 7.640 0.707 18225 7585 1 22 . 1 1 36 36 MET N N 36 117.356 117.356 120.010 -2.654 18225 7586 1 22 . 1 1 36 36 MET HA H 36 4.220 4.220 4.048 0.172 18225 7587 1 22 . 1 1 36 36 MET C C 36 177.903 177.903 177.970 -0.067 18225 7588 1 22 . 1 1 36 36 MET CA C 36 58.653 58.653 58.903 -0.250 18225 7589 1 22 . 1 1 36 36 MET CB C 36 32.172 32.172 32.415 -0.243 18225 7590 1 22 . 1 1 36 36 MET H H 36 8.252 8.252 8.277 -0.025 18225 7591 1 22 . 1 1 37 37 LEU N N 37 119.978 119.978 117.743 2.235 18225 7592 1 22 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.048 -0.020 18225 7593 1 22 . 1 1 37 37 LEU C C 37 178.393 178.393 178.475 -0.082 18225 7594 1 22 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.463 1.179 18225 7595 1 22 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.724 0.265 18225 7596 1 22 . 1 1 37 37 LEU H H 37 8.301 8.301 7.878 0.423 18225 7597 1 22 . 1 1 38 38 VAL N N 38 117.991 117.991 115.504 2.487 18225 7598 1 22 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.044 -0.542 18225 7599 1 22 . 1 1 38 38 VAL C C 38 177.962 177.962 176.824 1.138 18225 7600 1 22 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.406 3.749 18225 7601 1 22 . 1 1 38 38 VAL CB C 38 31.415 31.415 32.209 -0.794 18225 7602 1 22 . 1 1 38 38 VAL H H 38 8.414 8.414 7.296 1.118 18225 7603 1 22 . 1 1 39 39 PHE N N 39 119.830 119.830 121.950 -2.120 18225 7604 1 22 . 1 1 39 39 PHE HA H 39 4.178 4.178 3.878 0.300 18225 7605 1 22 . 1 1 39 39 PHE C C 39 178.233 178.233 175.614 2.619 18225 7606 1 22 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.338 0.165 18225 7607 1 22 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.501 -0.443 18225 7608 1 22 . 1 1 39 39 PHE H H 39 8.337 8.337 7.659 0.678 18225 7609 1 22 . 1 1 40 40 LEU N N 40 119.985 119.985 112.655 7.330 18225 7610 1 22 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.425 -0.459 18225 7611 1 22 . 1 1 40 40 LEU C C 40 179.279 179.279 176.380 2.899 18225 7612 1 22 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.188 2.684 18225 7613 1 22 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.696 -0.309 18225 7614 1 22 . 1 1 40 40 LEU H H 40 8.603 8.603 7.302 1.301 18225 7615 1 22 . 1 1 41 41 LEU N N 41 118.649 118.649 120.510 -1.861 18225 7616 1 22 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.570 -0.526 18225 7617 1 22 . 1 1 41 41 LEU C C 41 178.670 178.670 176.477 2.193 18225 7618 1 22 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.199 3.484 18225 7619 1 22 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.671 0.260 18225 7620 1 22 . 1 1 41 41 LEU H H 41 8.486 8.486 7.467 1.019 18225 7621 1 22 . 1 1 42 42 GLY N N 42 105.262 105.262 108.063 -2.801 18225 7622 1 22 . 1 1 42 42 GLY C C 42 174.814 174.814 174.425 0.389 18225 7623 1 22 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.252 0.153 18225 7624 1 22 . 1 1 42 42 GLY H H 42 8.289 8.289 8.222 0.067 18225 7625 1 22 . 1 1 43 43 THR N N 43 111.955 111.955 114.570 -2.615 18225 7626 1 22 . 1 1 43 43 THR HA H 43 4.243 4.243 4.483 -0.240 18225 7627 1 22 . 1 1 43 43 THR C C 43 175.888 175.888 175.131 0.757 18225 7628 1 22 . 1 1 43 43 THR CA C 43 63.505 63.505 61.557 1.948 18225 7629 1 22 . 1 1 43 43 THR CB C 43 69.598 69.598 69.066 0.532 18225 7630 1 22 . 1 1 43 43 THR H H 43 7.891 7.891 8.009 -0.118 18225 7631 1 22 . 1 1 44 44 THR N N 44 111.997 111.997 117.742 -5.745 18225 7632 1 22 . 1 1 44 44 THR HA H 44 4.320 4.320 4.096 0.224 18225 7633 1 22 . 1 1 44 44 THR C C 44 175.543 175.543 175.355 0.188 18225 7634 1 22 . 1 1 44 44 THR CA C 44 63.009 63.009 64.826 -1.817 18225 7635 1 22 . 1 1 44 44 THR CB C 44 69.881 69.881 68.689 1.192 18225 7636 1 22 . 1 1 44 44 THR H H 44 7.740 7.740 7.928 -0.188 18225 7637 1 22 . 1 1 45 45 GLY N N 45 109.564 109.564 107.685 1.879 18225 7638 1 22 . 1 1 45 45 GLY C C 45 174.928 174.928 174.024 0.904 18225 7639 1 22 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.099 1.321 18225 7640 1 22 . 1 1 45 45 GLY H H 45 8.243 8.243 8.307 -0.064 18225 7641 1 22 . 1 1 46 46 ASN N N 46 117.851 117.851 117.104 0.747 18225 7642 1 22 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.846 -0.129 18225 7643 1 22 . 1 1 46 46 ASN C C 46 176.127 176.127 176.259 -0.132 18225 7644 1 22 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.821 1.793 18225 7645 1 22 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.334 -0.023 18225 7646 1 22 . 1 1 46 46 ASN H H 46 8.170 8.170 7.610 0.560 18225 7647 1 22 . 1 1 47 47 GLY N N 47 108.287 108.287 108.596 -0.309 18225 7648 1 22 . 1 1 47 47 GLY C C 47 174.612 174.612 174.851 -0.239 18225 7649 1 22 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.603 1.638 18225 7650 1 22 . 1 1 47 47 GLY H H 47 8.663 8.663 8.629 0.034 18225 7651 1 22 . 1 1 48 48 LEU N N 48 120.479 120.479 119.548 0.931 18225 7652 1 22 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.394 -0.126 18225 7653 1 22 . 1 1 48 48 LEU C C 48 179.407 179.407 177.668 1.739 18225 7654 1 22 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.013 1.579 18225 7655 1 22 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.198 -0.460 18225 7656 1 22 . 1 1 48 48 LEU H H 48 8.149 8.149 7.606 0.543 18225 7657 1 22 . 1 1 49 49 VAL N N 49 119.968 119.968 114.890 5.078 18225 7658 1 22 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.705 0.111 18225 7659 1 22 . 1 1 49 49 VAL C C 49 177.444 177.444 176.621 0.823 18225 7660 1 22 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.033 0.910 18225 7661 1 22 . 1 1 49 49 VAL CB C 49 31.678 31.678 30.542 1.136 18225 7662 1 22 . 1 1 49 49 VAL H H 49 7.969 7.969 7.887 0.082 18225 7663 1 22 . 1 1 50 50 LEU N N 50 119.329 119.329 116.618 2.711 18225 7664 1 22 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.436 -0.424 18225 7665 1 22 . 1 1 50 50 LEU C C 50 178.085 178.085 178.426 -0.341 18225 7666 1 22 . 1 1 50 50 LEU CA C 50 57.917 57.917 56.458 1.459 18225 7667 1 22 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.081 -0.375 18225 7668 1 22 . 1 1 50 50 LEU H H 50 7.814 7.814 7.316 0.498 18225 7669 1 22 . 1 1 51 51 TRP N N 51 118.186 118.186 121.773 -3.587 18225 7670 1 22 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.594 -0.105 18225 7671 1 22 . 1 1 51 51 TRP C C 51 177.377 177.377 178.200 -0.823 18225 7672 1 22 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.218 -0.160 18225 7673 1 22 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.159 0.622 18225 7674 1 22 . 1 1 51 51 TRP H H 51 8.125 8.125 7.774 0.351 18225 7675 1 22 . 1 1 52 52 THR N N 52 113.180 113.180 116.820 -3.640 18225 7676 1 22 . 1 1 52 52 THR HA H 52 3.787 3.787 3.119 0.668 18225 7677 1 22 . 1 1 52 52 THR C C 52 176.309 176.309 176.164 0.145 18225 7678 1 22 . 1 1 52 52 THR CA C 52 66.473 66.473 65.962 0.511 18225 7679 1 22 . 1 1 52 52 THR CB C 52 68.865 68.865 67.556 1.309 18225 7680 1 22 . 1 1 52 52 THR H H 52 8.079 8.079 7.771 0.308 18225 7681 1 22 . 1 1 53 53 VAL N N 53 119.953 119.953 120.380 -0.427 18225 7682 1 22 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.857 -0.209 18225 7683 1 22 . 1 1 53 53 VAL C C 53 177.252 177.252 177.142 0.110 18225 7684 1 22 . 1 1 53 53 VAL CA C 53 66.086 66.086 64.469 1.617 18225 7685 1 22 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.977 -0.273 18225 7686 1 22 . 1 1 53 53 VAL H H 53 7.913 7.913 7.397 0.516 18225 7687 1 22 . 1 1 54 54 PHE N N 54 118.204 118.204 122.466 -4.262 18225 7688 1 22 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.191 0.056 18225 7689 1 22 . 1 1 54 54 PHE C C 54 177.144 177.144 176.368 0.776 18225 7690 1 22 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.869 -0.415 18225 7691 1 22 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.204 -0.088 18225 7692 1 22 . 1 1 54 54 PHE H H 54 8.030 8.030 8.348 -0.318 18225 7693 1 22 . 1 1 55 55 ARG N N 55 117.725 117.725 116.236 1.489 18225 7694 1 22 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.379 -0.495 18225 7695 1 22 . 1 1 55 55 ARG C C 55 177.443 177.443 176.918 0.525 18225 7696 1 22 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.038 0.516 18225 7697 1 22 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.415 -0.608 18225 7698 1 22 . 1 1 55 55 ARG H H 55 8.034 8.034 7.813 0.221 18225 7699 1 22 . 1 1 56 56 LYS N N 56 118.622 118.622 119.430 -0.808 18225 7700 1 22 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.272 -0.108 18225 7701 1 22 . 1 1 56 56 LYS C C 56 177.418 177.418 177.402 0.016 18225 7702 1 22 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.053 1.464 18225 7703 1 22 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.909 0.899 18225 7704 1 22 . 1 1 56 56 LYS H H 56 7.804 7.804 8.126 -0.322 18225 7705 1 22 . 1 1 57 57 LYS N N 57 118.937 118.937 119.421 -0.484 18225 7706 1 22 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.015 0.243 18225 7707 1 22 . 1 1 57 57 LYS C C 57 177.029 177.029 177.428 -0.399 18225 7708 1 22 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.644 -1.034 18225 7709 1 22 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.762 1.116 18225 7710 1 22 . 1 1 57 57 LYS H H 57 7.974 7.974 7.335 0.639 18225 7711 1 22 . 1 1 58 58 GLY N N 58 107.785 107.785 109.125 -1.340 18225 7712 1 22 . 1 1 58 58 GLY C C 58 173.543 173.543 174.301 -0.758 18225 7713 1 22 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.949 -0.476 18225 7714 1 22 . 1 1 58 58 GLY H H 58 8.136 8.136 8.051 0.085 18225 7715 1 22 . 1 1 59 59 HIS N N 59 117.024 117.024 120.310 -3.286 18225 7716 1 22 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.587 0.035 18225 7717 1 22 . 1 1 59 59 HIS C C 59 174.183 174.183 175.679 -1.496 18225 7718 1 22 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.976 -0.695 18225 7719 1 22 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.405 -1.324 18225 7720 1 22 . 1 1 59 59 HIS H H 59 8.163 8.163 7.988 0.175 18225 7721 1 22 . 1 1 60 60 HIS N N 60 118.841 118.841 118.292 0.549 18225 7722 1 22 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.643 -0.013 18225 7723 1 22 . 1 1 60 60 HIS C C 60 174.157 174.157 174.886 -0.729 18225 7724 1 22 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.831 -1.491 18225 7725 1 22 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.944 -1.840 18225 7726 1 22 . 1 1 60 60 HIS H H 60 8.507 8.507 8.555 -0.048 18225 7727 1 22 . 1 1 61 61 HIS N N 61 119.636 119.636 117.532 2.104 18225 7728 1 22 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.324 0.330 18225 7729 1 22 . 1 1 61 61 HIS C C 61 174.095 174.095 174.304 -0.209 18225 7730 1 22 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.664 -1.335 18225 7731 1 22 . 1 1 61 61 HIS CB C 61 29.234 29.234 29.859 -0.625 18225 7732 1 22 . 1 1 61 61 HIS H H 61 8.613 8.613 8.712 -0.099 18225 7733 1 22 . 1 1 62 62 HIS N N 62 120.286 120.286 122.852 -2.566 18225 7734 1 22 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.787 -0.127 18225 7735 1 22 . 1 1 62 62 HIS C C 62 173.928 173.928 174.145 -0.217 18225 7736 1 22 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.286 0.070 18225 7737 1 22 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.968 -1.639 18225 7738 1 22 . 1 1 62 62 HIS H H 62 8.680 8.680 9.095 -0.415 18225 7739 1 22 . 1 1 63 63 HIS N N 63 120.408 120.408 116.549 3.859 18225 7740 1 22 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.451 0.198 18225 7741 1 22 . 1 1 63 63 HIS C C 63 173.437 173.437 173.845 -0.408 18225 7742 1 22 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.601 -0.037 18225 7743 1 22 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.268 0.215 18225 7744 1 22 . 1 1 63 63 HIS H H 63 8.541 8.541 8.394 0.147 18225 7745 1 23 . 1 1 2 2 GLU N N 2 123.432 123.432 123.210 0.222 18225 7746 1 23 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.453 -0.044 18225 7747 1 23 . 1 1 2 2 GLU C C 2 175.510 175.510 175.966 -0.456 18225 7748 1 23 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.257 -0.041 18225 7749 1 23 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.652 -0.114 18225 7750 1 23 . 1 1 2 2 GLU H H 2 8.824 8.824 8.430 0.394 18225 7751 1 23 . 1 1 3 3 GLU N N 3 121.813 121.813 122.610 -0.797 18225 7752 1 23 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.080 0.298 18225 7753 1 23 . 1 1 3 3 GLU C C 3 176.299 176.299 177.371 -1.072 18225 7754 1 23 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.802 -0.510 18225 7755 1 23 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.217 -0.765 18225 7756 1 23 . 1 1 3 3 GLU H H 3 8.546 8.546 8.489 0.057 18225 7757 1 23 . 1 1 4 4 GLY N N 4 109.619 109.619 111.884 -2.265 18225 7758 1 23 . 1 1 4 4 GLY C C 4 174.449 174.449 174.865 -0.416 18225 7759 1 23 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.910 -0.380 18225 7760 1 23 . 1 1 4 4 GLY H H 4 8.463 8.463 8.856 -0.393 18225 7761 1 23 . 1 1 5 5 GLY N N 5 108.241 108.241 108.635 -0.394 18225 7762 1 23 . 1 1 5 5 GLY C C 5 173.965 173.965 173.295 0.670 18225 7763 1 23 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.844 0.608 18225 7764 1 23 . 1 1 5 5 GLY H H 5 8.220 8.220 7.751 0.469 18225 7765 1 23 . 1 1 6 6 ASP N N 6 119.184 119.184 119.235 -0.051 18225 7766 1 23 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.427 0.171 18225 7767 1 23 . 1 1 6 6 ASP C C 6 175.801 175.801 176.112 -0.311 18225 7768 1 23 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.867 -0.955 18225 7769 1 23 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.629 -1.294 18225 7770 1 23 . 1 1 6 6 ASP H H 6 8.329 8.329 8.662 -0.333 18225 7771 1 23 . 1 1 7 7 PHE N N 7 119.589 119.589 119.460 0.129 18225 7772 1 23 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.208 0.272 18225 7773 1 23 . 1 1 7 7 PHE C C 7 175.881 175.881 176.328 -0.447 18225 7774 1 23 . 1 1 7 7 PHE CA C 7 58.821 58.821 60.203 -1.382 18225 7775 1 23 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.987 0.095 18225 7776 1 23 . 1 1 7 7 PHE H H 7 8.342 8.342 7.767 0.575 18225 7777 1 23 . 1 1 8 8 ASP N N 8 118.430 118.430 119.442 -1.012 18225 7778 1 23 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.492 -0.036 18225 7779 1 23 . 1 1 8 8 ASP C C 8 175.642 175.642 175.298 0.344 18225 7780 1 23 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.784 -1.181 18225 7781 1 23 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.586 -3.002 18225 7782 1 23 . 1 1 8 8 ASP H H 8 8.223 8.223 8.418 -0.195 18225 7783 1 23 . 1 1 9 9 ASN N N 9 117.097 117.097 121.269 -4.172 18225 7784 1 23 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.588 -0.029 18225 7785 1 23 . 1 1 9 9 ASN C C 9 175.264 175.264 175.506 -0.242 18225 7786 1 23 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.596 0.248 18225 7787 1 23 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.216 -0.501 18225 7788 1 23 . 1 1 9 9 ASN H H 9 8.069 8.069 8.422 -0.353 18225 7789 1 23 . 1 1 10 10 TYR N N 10 119.007 119.007 119.878 -0.871 18225 7790 1 23 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.570 -0.221 18225 7791 1 23 . 1 1 10 10 TYR C C 10 175.387 175.387 177.061 -1.674 18225 7792 1 23 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.907 0.287 18225 7793 1 23 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.056 0.771 18225 7794 1 23 . 1 1 10 10 TYR H H 10 7.901 7.901 7.671 0.230 18225 7795 1 23 . 1 1 11 11 TYR N N 11 117.992 117.992 119.360 -1.368 18225 7796 1 23 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.040 0.403 18225 7797 1 23 . 1 1 11 11 TYR C C 11 175.765 175.765 177.012 -1.247 18225 7798 1 23 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.065 -1.693 18225 7799 1 23 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.410 1.384 18225 7800 1 23 . 1 1 11 11 TYR H H 11 7.885 7.885 8.243 -0.358 18225 7801 1 23 . 1 1 12 12 GLY N N 12 108.601 108.601 108.471 0.130 18225 7802 1 23 . 1 1 12 12 GLY C C 12 173.934 173.934 173.527 0.407 18225 7803 1 23 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.044 0.445 18225 7804 1 23 . 1 1 12 12 GLY H H 12 7.861 7.861 8.729 -0.868 18225 7805 1 23 . 1 1 13 13 ALA N N 13 122.926 122.926 122.713 0.213 18225 7806 1 23 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.923 0.356 18225 7807 1 23 . 1 1 13 13 ALA C C 13 177.457 177.457 177.610 -0.153 18225 7808 1 23 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.098 -0.316 18225 7809 1 23 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.875 1.572 18225 7810 1 23 . 1 1 13 13 ALA H H 13 7.985 7.985 7.652 0.333 18225 7811 1 23 . 1 1 14 14 ASP N N 14 117.380 117.380 119.794 -2.414 18225 7812 1 23 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.296 0.344 18225 7813 1 23 . 1 1 14 14 ASP C C 14 175.428 175.428 178.659 -3.231 18225 7814 1 23 . 1 1 14 14 ASP CA C 14 53.672 53.672 57.476 -3.804 18225 7815 1 23 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.487 -1.122 18225 7816 1 23 . 1 1 14 14 ASP H H 14 8.330 8.330 8.800 -0.470 18225 7817 1 23 . 1 1 15 15 ASN N N 15 118.465 118.465 116.001 2.464 18225 7818 1 23 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.458 0.181 18225 7819 1 23 . 1 1 15 15 ASN C C 15 175.467 175.467 175.372 0.095 18225 7820 1 23 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.898 -1.240 18225 7821 1 23 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.531 0.437 18225 7822 1 23 . 1 1 15 15 ASN H H 15 8.207 8.207 8.281 -0.074 18225 7823 1 23 . 1 1 16 16 GLN N N 16 119.741 119.741 116.804 2.937 18225 7824 1 23 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.561 -0.246 18225 7825 1 23 . 1 1 16 16 GLN C C 16 176.350 176.350 173.975 2.375 18225 7826 1 23 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.017 1.623 18225 7827 1 23 . 1 1 16 16 GLN CB C 16 29.096 29.096 29.166 -0.070 18225 7828 1 23 . 1 1 16 16 GLN H H 16 8.292 8.292 7.811 0.481 18225 7829 1 23 . 1 1 17 17 SER N N 17 115.772 115.772 115.170 0.602 18225 7830 1 23 . 1 1 17 17 SER HA H 17 4.390 4.390 4.633 -0.243 18225 7831 1 23 . 1 1 17 17 SER C C 17 174.799 174.799 173.629 1.170 18225 7832 1 23 . 1 1 17 17 SER CA C 17 59.165 59.165 57.819 1.346 18225 7833 1 23 . 1 1 17 17 SER CB C 17 63.651 63.651 63.962 -0.311 18225 7834 1 23 . 1 1 17 17 SER H H 17 8.224 8.224 7.693 0.531 18225 7835 1 23 . 1 1 18 18 GLU N N 18 121.211 121.211 123.539 -2.328 18225 7836 1 23 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.014 0.304 18225 7837 1 23 . 1 1 18 18 GLU C C 18 176.201 176.201 175.485 0.716 18225 7838 1 23 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.696 -0.971 18225 7839 1 23 . 1 1 18 18 GLU CB C 18 28.965 28.965 27.327 1.638 18225 7840 1 23 . 1 1 18 18 GLU H H 18 8.285 8.285 8.949 -0.664 18225 7841 1 23 . 1 1 19 19 CYS N N 19 118.653 118.653 118.493 0.160 18225 7842 1 23 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.339 0.084 18225 7843 1 23 . 1 1 19 19 CYS C C 19 174.698 174.698 175.354 -0.656 18225 7844 1 23 . 1 1 19 19 CYS CA C 19 59.075 59.075 60.438 -1.363 18225 7845 1 23 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.752 -0.902 18225 7846 1 23 . 1 1 19 19 CYS H H 19 8.202 8.202 8.233 -0.031 18225 7847 1 23 . 1 1 20 20 GLU N N 20 121.851 121.851 116.530 5.321 18225 7848 1 23 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.573 -0.308 18225 7849 1 23 . 1 1 20 20 GLU C C 20 176.100 176.100 176.137 -0.037 18225 7850 1 23 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.093 0.729 18225 7851 1 23 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.585 -1.609 18225 7852 1 23 . 1 1 20 20 GLU H H 20 8.349 8.349 8.349 0.000 18225 7853 1 23 . 1 1 21 21 TYR N N 21 118.491 118.491 118.986 -0.495 18225 7854 1 23 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.173 -0.755 18225 7855 1 23 . 1 1 21 21 TYR C C 21 175.881 175.881 175.770 0.111 18225 7856 1 23 . 1 1 21 21 TYR CA C 21 58.731 58.731 59.708 -0.977 18225 7857 1 23 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.032 -0.406 18225 7858 1 23 . 1 1 21 21 TYR H H 21 7.974 7.974 8.220 -0.246 18225 7859 1 23 . 1 1 22 22 THR N N 22 112.161 112.161 108.182 3.979 18225 7860 1 23 . 1 1 22 22 THR HA H 22 4.105 4.105 3.947 0.158 18225 7861 1 23 . 1 1 22 22 THR C C 22 174.666 174.666 174.569 0.097 18225 7862 1 23 . 1 1 22 22 THR CA C 22 63.190 63.190 62.042 1.148 18225 7863 1 23 . 1 1 22 22 THR CB C 22 69.306 69.306 70.059 -0.753 18225 7864 1 23 . 1 1 22 22 THR H H 22 7.747 7.747 7.648 0.099 18225 7865 1 23 . 1 1 23 23 ASP N N 23 120.529 120.529 121.071 -0.542 18225 7866 1 23 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.407 0.247 18225 7867 1 23 . 1 1 23 23 ASP C C 23 176.119 176.119 176.525 -0.406 18225 7868 1 23 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.738 -2.835 18225 7869 1 23 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.893 -1.755 18225 7870 1 23 . 1 1 23 23 ASP H H 23 8.114 8.114 8.460 -0.346 18225 7871 1 23 . 1 1 24 24 TRP N N 24 121.466 121.466 115.615 5.851 18225 7872 1 23 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.726 -0.250 18225 7873 1 23 . 1 1 24 24 TRP C C 24 176.578 176.578 176.447 0.131 18225 7874 1 23 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.824 0.487 18225 7875 1 23 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.701 -0.515 18225 7876 1 23 . 1 1 24 24 TRP H H 24 8.034 8.034 7.142 0.892 18225 7877 1 23 . 1 1 25 25 LYS N N 25 119.430 119.430 119.478 -0.048 18225 7878 1 23 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.721 0.324 18225 7879 1 23 . 1 1 25 25 LYS C C 25 176.798 176.798 174.756 2.042 18225 7880 1 23 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.101 0.660 18225 7881 1 23 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.835 0.574 18225 7882 1 23 . 1 1 25 25 LYS H H 25 7.880 7.880 8.346 -0.466 18225 7883 1 23 . 1 1 26 26 SER N N 26 113.780 113.780 111.337 2.443 18225 7884 1 23 . 1 1 26 26 SER HA H 26 4.461 4.461 4.558 -0.097 18225 7885 1 23 . 1 1 26 26 SER C C 26 174.957 174.957 174.149 0.808 18225 7886 1 23 . 1 1 26 26 SER CA C 26 58.760 58.760 57.970 0.790 18225 7887 1 23 . 1 1 26 26 SER CB C 26 63.889 63.889 64.671 -0.782 18225 7888 1 23 . 1 1 26 26 SER H H 26 7.893 7.893 7.640 0.253 18225 7889 1 23 . 1 1 27 27 SER N N 27 116.730 116.730 120.544 -3.814 18225 7890 1 23 . 1 1 27 27 SER HA H 27 4.328 4.328 4.577 -0.249 18225 7891 1 23 . 1 1 27 27 SER C C 27 175.563 175.563 174.798 0.765 18225 7892 1 23 . 1 1 27 27 SER CA C 27 59.856 59.856 58.201 1.655 18225 7893 1 23 . 1 1 27 27 SER CB C 27 63.819 63.819 61.846 1.973 18225 7894 1 23 . 1 1 27 27 SER H H 27 8.137 8.137 8.660 -0.523 18225 7895 1 23 . 1 1 28 28 GLY N N 28 110.734 110.734 109.769 0.965 18225 7896 1 23 . 1 1 28 28 GLY C C 28 174.314 174.314 174.239 0.075 18225 7897 1 23 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.660 1.465 18225 7898 1 23 . 1 1 28 28 GLY H H 28 8.477 8.477 8.120 0.357 18225 7899 1 23 . 1 1 29 29 ALA N N 29 121.690 121.690 120.196 1.494 18225 7900 1 23 . 1 1 29 29 ALA HA H 29 4.289 4.289 3.982 0.307 18225 7901 1 23 . 1 1 29 29 ALA C C 29 177.330 177.330 177.090 0.240 18225 7902 1 23 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.148 0.026 18225 7903 1 23 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.580 2.304 18225 7904 1 23 . 1 1 29 29 ALA H H 29 8.189 8.189 8.033 0.156 18225 7905 1 23 . 1 1 30 30 LEU N N 30 117.292 117.292 114.510 2.782 18225 7906 1 23 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.627 -0.548 18225 7907 1 23 . 1 1 30 30 LEU C C 30 177.377 177.377 177.867 -0.490 18225 7908 1 23 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.151 2.083 18225 7909 1 23 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.238 0.176 18225 7910 1 23 . 1 1 30 30 LEU H H 30 7.873 7.873 7.996 -0.123 18225 7911 1 23 . 1 1 31 31 ILE N N 31 116.517 116.517 119.410 -2.893 18225 7912 1 23 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.255 -0.372 18225 7913 1 23 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.644 0.622 18225 7914 1 23 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.087 -0.331 18225 7915 1 23 . 1 1 31 31 ILE H H 31 8.262 8.262 8.090 0.172 18225 7916 1 23 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.306 -0.094 18225 7917 1 23 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.210 0.782 18225 7918 1 23 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.680 0.312 18225 7919 1 23 . 1 1 33 33 ALA N N 33 118.208 118.208 119.284 -1.076 18225 7920 1 23 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.286 -0.220 18225 7921 1 23 . 1 1 33 33 ALA C C 33 178.814 178.814 178.971 -0.157 18225 7922 1 23 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.968 1.721 18225 7923 1 23 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.321 -0.942 18225 7924 1 23 . 1 1 33 33 ALA H H 33 7.613 7.613 7.323 0.290 18225 7925 1 23 . 1 1 34 34 ILE N N 34 117.730 117.730 119.564 -1.834 18225 7926 1 23 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.692 -0.027 18225 7927 1 23 . 1 1 34 34 ILE C C 34 177.826 177.826 177.447 0.379 18225 7928 1 23 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.541 -0.387 18225 7929 1 23 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.206 -0.923 18225 7930 1 23 . 1 1 34 34 ILE H H 34 8.259 8.259 7.349 0.910 18225 7931 1 23 . 1 1 35 35 TYR N N 35 118.693 118.693 117.729 0.964 18225 7932 1 23 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.143 -0.050 18225 7933 1 23 . 1 1 35 35 TYR C C 35 177.885 177.885 177.901 -0.016 18225 7934 1 23 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.240 0.398 18225 7935 1 23 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.804 -0.880 18225 7936 1 23 . 1 1 35 35 TYR H H 35 8.347 8.347 7.916 0.431 18225 7937 1 23 . 1 1 36 36 MET N N 36 117.356 117.356 119.159 -1.803 18225 7938 1 23 . 1 1 36 36 MET HA H 36 4.220 4.220 4.401 -0.181 18225 7939 1 23 . 1 1 36 36 MET C C 36 177.903 177.903 177.628 0.275 18225 7940 1 23 . 1 1 36 36 MET CA C 36 58.653 58.653 58.270 0.383 18225 7941 1 23 . 1 1 36 36 MET CB C 36 32.172 32.172 33.156 -0.984 18225 7942 1 23 . 1 1 36 36 MET H H 36 8.252 8.252 7.592 0.660 18225 7943 1 23 . 1 1 37 37 LEU N N 37 119.978 119.978 119.311 0.667 18225 7944 1 23 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.204 -0.176 18225 7945 1 23 . 1 1 37 37 LEU C C 37 178.393 178.393 176.325 2.068 18225 7946 1 23 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.489 3.154 18225 7947 1 23 . 1 1 37 37 LEU CB C 37 41.989 41.989 39.603 2.386 18225 7948 1 23 . 1 1 37 37 LEU H H 37 8.301 8.301 8.068 0.233 18225 7949 1 23 . 1 1 38 38 VAL N N 38 117.991 117.991 118.091 -0.100 18225 7950 1 23 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.037 -0.535 18225 7951 1 23 . 1 1 38 38 VAL C C 38 177.962 177.962 176.379 1.583 18225 7952 1 23 . 1 1 38 38 VAL CA C 38 67.155 67.155 64.066 3.089 18225 7953 1 23 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.948 -2.533 18225 7954 1 23 . 1 1 38 38 VAL H H 38 8.414 8.414 8.225 0.189 18225 7955 1 23 . 1 1 39 39 PHE N N 39 119.830 119.830 121.343 -1.513 18225 7956 1 23 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.397 -0.219 18225 7957 1 23 . 1 1 39 39 PHE C C 39 178.233 178.233 176.021 2.212 18225 7958 1 23 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.366 1.137 18225 7959 1 23 . 1 1 39 39 PHE CB C 39 39.058 39.058 41.150 -2.091 18225 7960 1 23 . 1 1 39 39 PHE H H 39 8.337 8.337 7.826 0.511 18225 7961 1 23 . 1 1 40 40 LEU N N 40 119.985 119.985 114.902 5.083 18225 7962 1 23 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.631 -0.665 18225 7963 1 23 . 1 1 40 40 LEU C C 40 179.279 179.279 176.763 2.516 18225 7964 1 23 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.822 2.050 18225 7965 1 23 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.893 0.494 18225 7966 1 23 . 1 1 40 40 LEU H H 40 8.603 8.603 7.475 1.128 18225 7967 1 23 . 1 1 41 41 LEU N N 41 118.649 118.649 119.252 -0.603 18225 7968 1 23 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.419 -0.375 18225 7969 1 23 . 1 1 41 41 LEU C C 41 178.670 178.670 178.664 0.006 18225 7970 1 23 . 1 1 41 41 LEU CA C 41 57.683 57.683 56.176 1.507 18225 7971 1 23 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.614 -0.683 18225 7972 1 23 . 1 1 41 41 LEU H H 41 8.486 8.486 7.566 0.920 18225 7973 1 23 . 1 1 42 42 GLY N N 42 105.262 105.262 108.793 -3.531 18225 7974 1 23 . 1 1 42 42 GLY C C 42 174.814 174.814 175.166 -0.352 18225 7975 1 23 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.405 -1.000 18225 7976 1 23 . 1 1 42 42 GLY H H 42 8.289 8.289 8.478 -0.189 18225 7977 1 23 . 1 1 43 43 THR N N 43 111.955 111.955 110.883 1.072 18225 7978 1 23 . 1 1 43 43 THR HA H 43 4.243 4.243 4.346 -0.103 18225 7979 1 23 . 1 1 43 43 THR C C 43 175.888 175.888 175.874 0.014 18225 7980 1 23 . 1 1 43 43 THR CA C 43 63.505 63.505 63.279 0.227 18225 7981 1 23 . 1 1 43 43 THR CB C 43 69.598 69.598 68.947 0.651 18225 7982 1 23 . 1 1 43 43 THR H H 43 7.891 7.891 7.580 0.311 18225 7983 1 23 . 1 1 44 44 THR N N 44 111.997 111.997 118.672 -6.675 18225 7984 1 23 . 1 1 44 44 THR HA H 44 4.320 4.320 4.151 0.169 18225 7985 1 23 . 1 1 44 44 THR C C 44 175.543 175.543 175.869 -0.326 18225 7986 1 23 . 1 1 44 44 THR CA C 44 63.009 63.009 65.856 -2.846 18225 7987 1 23 . 1 1 44 44 THR CB C 44 69.881 69.881 68.848 1.033 18225 7988 1 23 . 1 1 44 44 THR H H 44 7.740 7.740 8.497 -0.757 18225 7989 1 23 . 1 1 45 45 GLY N N 45 109.564 109.564 108.433 1.131 18225 7990 1 23 . 1 1 45 45 GLY C C 45 174.928 174.928 174.469 0.459 18225 7991 1 23 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.037 0.383 18225 7992 1 23 . 1 1 45 45 GLY H H 45 8.243 8.243 8.269 -0.026 18225 7993 1 23 . 1 1 46 46 ASN N N 46 117.851 117.851 116.624 1.227 18225 7994 1 23 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.715 0.002 18225 7995 1 23 . 1 1 46 46 ASN C C 46 176.127 176.127 175.094 1.033 18225 7996 1 23 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.537 1.077 18225 7997 1 23 . 1 1 46 46 ASN CB C 46 39.311 39.311 41.352 -2.041 18225 7998 1 23 . 1 1 46 46 ASN H H 46 8.170 8.170 8.123 0.047 18225 7999 1 23 . 1 1 47 47 GLY N N 47 108.287 108.287 107.566 0.721 18225 8000 1 23 . 1 1 47 47 GLY C C 47 174.612 174.612 174.863 -0.251 18225 8001 1 23 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.038 2.204 18225 8002 1 23 . 1 1 47 47 GLY H H 47 8.663 8.663 8.257 0.406 18225 8003 1 23 . 1 1 48 48 LEU N N 48 120.479 120.479 116.957 3.522 18225 8004 1 23 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.084 0.184 18225 8005 1 23 . 1 1 48 48 LEU C C 48 179.407 179.407 176.799 2.608 18225 8006 1 23 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.871 0.721 18225 8007 1 23 . 1 1 48 48 LEU CB C 48 41.738 41.738 40.120 1.617 18225 8008 1 23 . 1 1 48 48 LEU H H 48 8.149 8.149 8.336 -0.187 18225 8009 1 23 . 1 1 49 49 VAL N N 49 119.968 119.968 116.519 3.449 18225 8010 1 23 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.091 -0.275 18225 8011 1 23 . 1 1 49 49 VAL C C 49 177.444 177.444 175.675 1.769 18225 8012 1 23 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.703 2.240 18225 8013 1 23 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.390 -0.712 18225 8014 1 23 . 1 1 49 49 VAL H H 49 7.969 7.969 7.761 0.208 18225 8015 1 23 . 1 1 50 50 LEU N N 50 119.329 119.329 114.396 4.933 18225 8016 1 23 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.724 -0.712 18225 8017 1 23 . 1 1 50 50 LEU C C 50 178.085 178.085 177.789 0.296 18225 8018 1 23 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.645 2.272 18225 8019 1 23 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.632 0.074 18225 8020 1 23 . 1 1 50 50 LEU H H 50 7.814 7.814 7.772 0.042 18225 8021 1 23 . 1 1 51 51 TRP N N 51 118.186 118.186 123.355 -5.169 18225 8022 1 23 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.570 -0.081 18225 8023 1 23 . 1 1 51 51 TRP C C 51 177.377 177.377 177.623 -0.246 18225 8024 1 23 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.232 -0.174 18225 8025 1 23 . 1 1 51 51 TRP CB C 51 29.781 29.781 28.752 1.029 18225 8026 1 23 . 1 1 51 51 TRP H H 51 8.125 8.125 7.982 0.143 18225 8027 1 23 . 1 1 52 52 THR N N 52 113.180 113.180 113.880 -0.700 18225 8028 1 23 . 1 1 52 52 THR HA H 52 3.787 3.787 2.940 0.847 18225 8029 1 23 . 1 1 52 52 THR C C 52 176.309 176.309 176.217 0.092 18225 8030 1 23 . 1 1 52 52 THR CA C 52 66.473 66.473 65.515 0.958 18225 8031 1 23 . 1 1 52 52 THR CB C 52 68.865 68.865 67.734 1.131 18225 8032 1 23 . 1 1 52 52 THR H H 52 8.079 8.079 7.991 0.088 18225 8033 1 23 . 1 1 53 53 VAL N N 53 119.953 119.953 120.507 -0.554 18225 8034 1 23 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.644 0.004 18225 8035 1 23 . 1 1 53 53 VAL C C 53 177.252 177.252 177.300 -0.048 18225 8036 1 23 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.783 0.303 18225 8037 1 23 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.276 0.429 18225 8038 1 23 . 1 1 53 53 VAL H H 53 7.913 7.913 7.894 0.019 18225 8039 1 23 . 1 1 54 54 PHE N N 54 118.204 118.204 116.566 1.638 18225 8040 1 23 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.180 0.067 18225 8041 1 23 . 1 1 54 54 PHE C C 54 177.144 177.144 178.259 -1.115 18225 8042 1 23 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.095 -0.641 18225 8043 1 23 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.954 0.162 18225 8044 1 23 . 1 1 54 54 PHE H H 54 8.030 8.030 7.765 0.265 18225 8045 1 23 . 1 1 55 55 ARG N N 55 117.725 117.725 118.439 -0.714 18225 8046 1 23 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.119 -0.235 18225 8047 1 23 . 1 1 55 55 ARG C C 55 177.443 177.443 177.597 -0.154 18225 8048 1 23 . 1 1 55 55 ARG CA C 55 57.554 57.554 58.470 -0.916 18225 8049 1 23 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.304 -0.497 18225 8050 1 23 . 1 1 55 55 ARG H H 55 8.034 8.034 7.700 0.334 18225 8051 1 23 . 1 1 56 56 LYS N N 56 118.622 118.622 118.094 0.528 18225 8052 1 23 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.175 -0.011 18225 8053 1 23 . 1 1 56 56 LYS C C 56 177.418 177.418 177.365 0.053 18225 8054 1 23 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.568 0.949 18225 8055 1 23 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.548 1.260 18225 8056 1 23 . 1 1 56 56 LYS H H 56 7.804 7.804 8.166 -0.362 18225 8057 1 23 . 1 1 57 57 LYS N N 57 118.937 118.937 119.794 -0.857 18225 8058 1 23 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.964 0.294 18225 8059 1 23 . 1 1 57 57 LYS C C 57 177.029 177.029 178.438 -1.409 18225 8060 1 23 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.954 -2.344 18225 8061 1 23 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.738 0.140 18225 8062 1 23 . 1 1 57 57 LYS H H 57 7.974 7.974 7.307 0.667 18225 8063 1 23 . 1 1 58 58 GLY N N 58 107.785 107.785 106.368 1.417 18225 8064 1 23 . 1 1 58 58 GLY C C 58 173.543 173.543 175.194 -1.651 18225 8065 1 23 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.091 -0.618 18225 8066 1 23 . 1 1 58 58 GLY H H 58 8.136 8.136 8.149 -0.013 18225 8067 1 23 . 1 1 59 59 HIS N N 59 117.024 117.024 124.785 -7.761 18225 8068 1 23 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.599 0.023 18225 8069 1 23 . 1 1 59 59 HIS C C 59 174.183 174.183 174.863 -0.680 18225 8070 1 23 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.667 0.614 18225 8071 1 23 . 1 1 59 59 HIS CB C 59 29.081 29.081 27.850 1.231 18225 8072 1 23 . 1 1 59 59 HIS H H 59 8.163 8.163 8.136 0.027 18225 8073 1 23 . 1 1 60 60 HIS N N 60 118.841 118.841 119.720 -0.879 18225 8074 1 23 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.284 0.346 18225 8075 1 23 . 1 1 60 60 HIS C C 60 174.157 174.157 174.797 -0.640 18225 8076 1 23 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.224 -0.884 18225 8077 1 23 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.341 -1.238 18225 8078 1 23 . 1 1 60 60 HIS H H 60 8.507 8.507 7.350 1.157 18225 8079 1 23 . 1 1 61 61 HIS N N 61 119.636 119.636 124.759 -5.123 18225 8080 1 23 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.712 -0.058 18225 8081 1 23 . 1 1 61 61 HIS C C 61 174.095 174.095 175.456 -1.361 18225 8082 1 23 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.886 -0.557 18225 8083 1 23 . 1 1 61 61 HIS CB C 61 29.234 29.234 29.702 -0.468 18225 8084 1 23 . 1 1 61 61 HIS H H 61 8.613 8.613 8.648 -0.035 18225 8085 1 23 . 1 1 62 62 HIS N N 62 120.286 120.286 125.219 -4.933 18225 8086 1 23 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.684 -0.024 18225 8087 1 23 . 1 1 62 62 HIS C C 62 173.928 173.928 174.982 -1.054 18225 8088 1 23 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.844 -1.488 18225 8089 1 23 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.124 -0.795 18225 8090 1 23 . 1 1 62 62 HIS H H 62 8.680 8.680 9.260 -0.580 18225 8091 1 23 . 1 1 63 63 HIS N N 63 120.408 120.408 119.061 1.347 18225 8092 1 23 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.720 -0.071 18225 8093 1 23 . 1 1 63 63 HIS C C 63 173.437 173.437 174.070 -0.633 18225 8094 1 23 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.911 -0.347 18225 8095 1 23 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.563 -0.080 18225 8096 1 23 . 1 1 63 63 HIS H H 63 8.541 8.541 8.014 0.527 18225 8097 1 24 . 1 1 2 2 GLU N N 2 123.432 123.432 122.122 1.310 18225 8098 1 24 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.287 0.122 18225 8099 1 24 . 1 1 2 2 GLU C C 2 175.510 175.510 176.144 -0.634 18225 8100 1 24 . 1 1 2 2 GLU CA C 2 56.216 56.216 57.178 -0.962 18225 8101 1 24 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.114 -0.576 18225 8102 1 24 . 1 1 2 2 GLU H H 2 8.824 8.824 8.320 0.504 18225 8103 1 24 . 1 1 3 3 GLU N N 3 121.813 121.813 121.886 -0.073 18225 8104 1 24 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.418 -0.040 18225 8105 1 24 . 1 1 3 3 GLU C C 3 176.299 176.299 177.133 -0.834 18225 8106 1 24 . 1 1 3 3 GLU CA C 3 56.292 56.292 55.957 0.335 18225 8107 1 24 . 1 1 3 3 GLU CB C 3 29.452 29.452 31.628 -2.176 18225 8108 1 24 . 1 1 3 3 GLU H H 3 8.546 8.546 8.301 0.245 18225 8109 1 24 . 1 1 4 4 GLY N N 4 109.619 109.619 109.110 0.509 18225 8110 1 24 . 1 1 4 4 GLY C C 4 174.449 174.449 174.151 0.298 18225 8111 1 24 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.529 0.001 18225 8112 1 24 . 1 1 4 4 GLY H H 4 8.463 8.463 8.446 0.017 18225 8113 1 24 . 1 1 5 5 GLY N N 5 108.241 108.241 108.253 -0.012 18225 8114 1 24 . 1 1 5 5 GLY C C 5 173.965 173.965 174.062 -0.097 18225 8115 1 24 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.583 0.869 18225 8116 1 24 . 1 1 5 5 GLY H H 5 8.220 8.220 7.845 0.375 18225 8117 1 24 . 1 1 6 6 ASP N N 6 119.184 119.184 123.350 -4.166 18225 8118 1 24 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.457 0.141 18225 8119 1 24 . 1 1 6 6 ASP C C 6 175.801 175.801 176.807 -1.006 18225 8120 1 24 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.715 -1.803 18225 8121 1 24 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.705 -1.370 18225 8122 1 24 . 1 1 6 6 ASP H H 6 8.329 8.329 8.805 -0.476 18225 8123 1 24 . 1 1 7 7 PHE N N 7 119.589 119.589 117.639 1.950 18225 8124 1 24 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.674 -0.194 18225 8125 1 24 . 1 1 7 7 PHE C C 7 175.881 175.881 175.279 0.602 18225 8126 1 24 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.944 0.877 18225 8127 1 24 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.239 -1.157 18225 8128 1 24 . 1 1 7 7 PHE H H 7 8.342 8.342 7.574 0.768 18225 8129 1 24 . 1 1 8 8 ASP N N 8 118.430 118.430 122.636 -4.206 18225 8130 1 24 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.391 0.065 18225 8131 1 24 . 1 1 8 8 ASP C C 8 175.642 175.642 175.634 0.008 18225 8132 1 24 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.757 -1.154 18225 8133 1 24 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.345 -2.761 18225 8134 1 24 . 1 1 8 8 ASP H H 8 8.223 8.223 7.931 0.292 18225 8135 1 24 . 1 1 9 9 ASN N N 9 117.097 117.097 122.109 -5.012 18225 8136 1 24 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.580 -0.021 18225 8137 1 24 . 1 1 9 9 ASN C C 9 175.264 175.264 176.508 -1.244 18225 8138 1 24 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.579 0.265 18225 8139 1 24 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.554 -0.839 18225 8140 1 24 . 1 1 9 9 ASN H H 9 8.069 8.069 8.268 -0.199 18225 8141 1 24 . 1 1 10 10 TYR N N 10 119.007 119.007 120.932 -1.925 18225 8142 1 24 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.057 0.292 18225 8143 1 24 . 1 1 10 10 TYR C C 10 175.387 175.387 177.776 -2.389 18225 8144 1 24 . 1 1 10 10 TYR CA C 10 59.194 59.194 61.220 -2.026 18225 8145 1 24 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.473 0.355 18225 8146 1 24 . 1 1 10 10 TYR H H 10 7.901 7.901 7.848 0.053 18225 8147 1 24 . 1 1 11 11 TYR N N 11 117.992 117.992 117.826 0.166 18225 8148 1 24 . 1 1 11 11 TYR HA H 11 4.443 4.443 3.890 0.553 18225 8149 1 24 . 1 1 11 11 TYR C C 11 175.765 175.765 177.330 -1.565 18225 8150 1 24 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.815 -1.443 18225 8151 1 24 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.120 1.673 18225 8152 1 24 . 1 1 11 11 TYR H H 11 7.885 7.885 8.671 -0.786 18225 8153 1 24 . 1 1 12 12 GLY N N 12 108.601 108.601 107.132 1.469 18225 8154 1 24 . 1 1 12 12 GLY C C 12 173.934 173.934 175.002 -1.068 18225 8155 1 24 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.788 -0.298 18225 8156 1 24 . 1 1 12 12 GLY H H 12 7.861 7.861 8.602 -0.741 18225 8157 1 24 . 1 1 13 13 ALA N N 13 122.926 122.926 123.959 -1.033 18225 8158 1 24 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.781 0.498 18225 8159 1 24 . 1 1 13 13 ALA C C 13 177.457 177.457 178.607 -1.150 18225 8160 1 24 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.672 -1.891 18225 8161 1 24 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.223 2.224 18225 8162 1 24 . 1 1 13 13 ALA H H 13 7.985 7.985 7.700 0.285 18225 8163 1 24 . 1 1 14 14 ASP N N 14 117.380 117.380 121.562 -4.182 18225 8164 1 24 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.300 0.340 18225 8165 1 24 . 1 1 14 14 ASP C C 14 175.428 175.428 178.036 -2.608 18225 8166 1 24 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.566 -2.894 18225 8167 1 24 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.557 -1.192 18225 8168 1 24 . 1 1 14 14 ASP H H 14 8.330 8.330 8.517 -0.187 18225 8169 1 24 . 1 1 15 15 ASN N N 15 118.465 118.465 115.557 2.908 18225 8170 1 24 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.557 0.082 18225 8171 1 24 . 1 1 15 15 ASN C C 15 175.467 175.467 175.203 0.264 18225 8172 1 24 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.336 -0.679 18225 8173 1 24 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.943 0.025 18225 8174 1 24 . 1 1 15 15 ASN H H 15 8.207 8.207 7.820 0.387 18225 8175 1 24 . 1 1 16 16 GLN N N 16 119.741 119.741 116.011 3.730 18225 8176 1 24 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.531 -0.216 18225 8177 1 24 . 1 1 16 16 GLN C C 16 176.350 176.350 174.047 2.303 18225 8178 1 24 . 1 1 16 16 GLN CA C 16 56.640 56.640 54.797 1.843 18225 8179 1 24 . 1 1 16 16 GLN CB C 16 29.096 29.096 29.477 -0.381 18225 8180 1 24 . 1 1 16 16 GLN H H 16 8.292 8.292 7.995 0.297 18225 8181 1 24 . 1 1 17 17 SER N N 17 115.772 115.772 115.270 0.502 18225 8182 1 24 . 1 1 17 17 SER HA H 17 4.390 4.390 4.421 -0.031 18225 8183 1 24 . 1 1 17 17 SER C C 17 174.799 174.799 174.114 0.685 18225 8184 1 24 . 1 1 17 17 SER CA C 17 59.165 59.165 56.941 2.224 18225 8185 1 24 . 1 1 17 17 SER CB C 17 63.651 63.651 64.601 -0.950 18225 8186 1 24 . 1 1 17 17 SER H H 17 8.224 8.224 7.613 0.611 18225 8187 1 24 . 1 1 18 18 GLU N N 18 121.211 121.211 122.608 -1.397 18225 8188 1 24 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.122 0.196 18225 8189 1 24 . 1 1 18 18 GLU C C 18 176.201 176.201 175.552 0.649 18225 8190 1 24 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.861 -1.136 18225 8191 1 24 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.907 0.058 18225 8192 1 24 . 1 1 18 18 GLU H H 18 8.285 8.285 8.778 -0.493 18225 8193 1 24 . 1 1 19 19 CYS N N 19 118.653 118.653 116.584 2.069 18225 8194 1 24 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.551 -0.128 18225 8195 1 24 . 1 1 19 19 CYS C C 19 174.698 174.698 174.407 0.291 18225 8196 1 24 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.483 -0.408 18225 8197 1 24 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.676 -0.826 18225 8198 1 24 . 1 1 19 19 CYS H H 19 8.202 8.202 8.177 0.025 18225 8199 1 24 . 1 1 20 20 GLU N N 20 121.851 121.851 117.500 4.351 18225 8200 1 24 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.649 -0.384 18225 8201 1 24 . 1 1 20 20 GLU C C 20 176.100 176.100 175.209 0.891 18225 8202 1 24 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.063 0.758 18225 8203 1 24 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.540 -1.563 18225 8204 1 24 . 1 1 20 20 GLU H H 20 8.349 8.349 8.394 -0.045 18225 8205 1 24 . 1 1 21 21 TYR N N 21 118.491 118.491 122.853 -4.362 18225 8206 1 24 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.162 -0.744 18225 8207 1 24 . 1 1 21 21 TYR C C 21 175.881 175.881 175.281 0.600 18225 8208 1 24 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.616 1.115 18225 8209 1 24 . 1 1 21 21 TYR CB C 21 38.626 38.626 36.836 1.790 18225 8210 1 24 . 1 1 21 21 TYR H H 21 7.974 7.974 8.353 -0.379 18225 8211 1 24 . 1 1 22 22 THR N N 22 112.161 112.161 114.174 -2.013 18225 8212 1 24 . 1 1 22 22 THR HA H 22 4.105 4.105 4.353 -0.248 18225 8213 1 24 . 1 1 22 22 THR C C 22 174.666 174.666 174.256 0.410 18225 8214 1 24 . 1 1 22 22 THR CA C 22 63.190 63.190 63.187 0.003 18225 8215 1 24 . 1 1 22 22 THR CB C 22 69.306 69.306 69.401 -0.095 18225 8216 1 24 . 1 1 22 22 THR H H 22 7.747 7.747 7.919 -0.172 18225 8217 1 24 . 1 1 23 23 ASP N N 23 120.529 120.529 120.741 -0.212 18225 8218 1 24 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.638 0.016 18225 8219 1 24 . 1 1 23 23 ASP C C 23 176.119 176.119 176.307 -0.188 18225 8220 1 24 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.931 -1.028 18225 8221 1 24 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.466 -1.328 18225 8222 1 24 . 1 1 23 23 ASP H H 23 8.114 8.114 8.567 -0.453 18225 8223 1 24 . 1 1 24 24 TRP N N 24 121.466 121.466 117.366 4.100 18225 8224 1 24 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.769 -0.293 18225 8225 1 24 . 1 1 24 24 TRP C C 24 176.578 176.578 175.825 0.753 18225 8226 1 24 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.349 0.962 18225 8227 1 24 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.806 -0.620 18225 8228 1 24 . 1 1 24 24 TRP H H 24 8.034 8.034 7.503 0.531 18225 8229 1 24 . 1 1 25 25 LYS N N 25 119.430 119.430 118.348 1.082 18225 8230 1 24 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.069 0.976 18225 8231 1 24 . 1 1 25 25 LYS C C 25 176.798 176.798 176.446 0.352 18225 8232 1 24 . 1 1 25 25 LYS CA C 25 57.761 57.761 58.035 -0.274 18225 8233 1 24 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.327 2.082 18225 8234 1 24 . 1 1 25 25 LYS H H 25 7.880 7.880 7.430 0.450 18225 8235 1 24 . 1 1 26 26 SER N N 26 113.780 113.780 115.486 -1.706 18225 8236 1 24 . 1 1 26 26 SER HA H 26 4.461 4.461 3.973 0.488 18225 8237 1 24 . 1 1 26 26 SER C C 26 174.957 174.957 174.891 0.066 18225 8238 1 24 . 1 1 26 26 SER CA C 26 58.760 58.760 58.837 -0.077 18225 8239 1 24 . 1 1 26 26 SER CB C 26 63.889 63.889 64.279 -0.390 18225 8240 1 24 . 1 1 26 26 SER H H 26 7.893 7.893 8.082 -0.189 18225 8241 1 24 . 1 1 27 27 SER N N 27 116.730 116.730 116.495 0.235 18225 8242 1 24 . 1 1 27 27 SER HA H 27 4.328 4.328 4.255 0.073 18225 8243 1 24 . 1 1 27 27 SER C C 27 175.563 175.563 173.976 1.587 18225 8244 1 24 . 1 1 27 27 SER CA C 27 59.856 59.856 59.673 0.183 18225 8245 1 24 . 1 1 27 27 SER CB C 27 63.819 63.819 62.374 1.445 18225 8246 1 24 . 1 1 27 27 SER H H 27 8.137 8.137 8.477 -0.340 18225 8247 1 24 . 1 1 28 28 GLY N N 28 110.734 110.734 103.207 7.527 18225 8248 1 24 . 1 1 28 28 GLY C C 28 174.314 174.314 173.088 1.226 18225 8249 1 24 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.770 0.355 18225 8250 1 24 . 1 1 28 28 GLY H H 28 8.477 8.477 8.009 0.468 18225 8251 1 24 . 1 1 29 29 ALA N N 29 121.690 121.690 121.561 0.129 18225 8252 1 24 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.326 -0.037 18225 8253 1 24 . 1 1 29 29 ALA C C 29 177.330 177.330 176.782 0.548 18225 8254 1 24 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.035 0.139 18225 8255 1 24 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.246 0.638 18225 8256 1 24 . 1 1 29 29 ALA H H 29 8.189 8.189 7.964 0.225 18225 8257 1 24 . 1 1 30 30 LEU N N 30 117.292 117.292 116.640 0.652 18225 8258 1 24 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.595 -0.516 18225 8259 1 24 . 1 1 30 30 LEU C C 30 177.377 177.377 178.017 -0.640 18225 8260 1 24 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.725 2.509 18225 8261 1 24 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.203 0.211 18225 8262 1 24 . 1 1 30 30 LEU H H 30 7.873 7.873 7.781 0.092 18225 8263 1 24 . 1 1 31 31 ILE N N 31 116.517 116.517 119.504 -2.987 18225 8264 1 24 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.076 -0.193 18225 8265 1 24 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.523 0.743 18225 8266 1 24 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.016 -0.260 18225 8267 1 24 . 1 1 31 31 ILE H H 31 8.262 8.262 8.086 0.176 18225 8268 1 24 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.503 -0.291 18225 8269 1 24 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.806 2.187 18225 8270 1 24 . 1 1 32 32 PRO CB C 32 30.992 30.992 29.890 1.102 18225 8271 1 24 . 1 1 33 33 ALA N N 33 118.208 118.208 120.464 -2.256 18225 8272 1 24 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.495 -0.429 18225 8273 1 24 . 1 1 33 33 ALA C C 33 178.814 178.814 178.324 0.490 18225 8274 1 24 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.929 2.760 18225 8275 1 24 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.255 -1.876 18225 8276 1 24 . 1 1 33 33 ALA H H 33 7.613 7.613 8.088 -0.475 18225 8277 1 24 . 1 1 34 34 ILE N N 34 117.730 117.730 117.695 0.035 18225 8278 1 24 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.031 -0.366 18225 8279 1 24 . 1 1 34 34 ILE C C 34 177.826 177.826 176.762 1.064 18225 8280 1 24 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.204 0.950 18225 8281 1 24 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.141 -0.858 18225 8282 1 24 . 1 1 34 34 ILE H H 34 8.259 8.259 7.582 0.677 18225 8283 1 24 . 1 1 35 35 TYR N N 35 118.693 118.693 121.126 -2.433 18225 8284 1 24 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.419 -0.326 18225 8285 1 24 . 1 1 35 35 TYR C C 35 177.885 177.885 175.466 2.419 18225 8286 1 24 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.299 1.339 18225 8287 1 24 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.366 -1.442 18225 8288 1 24 . 1 1 35 35 TYR H H 35 8.347 8.347 7.943 0.404 18225 8289 1 24 . 1 1 36 36 MET N N 36 117.356 117.356 115.876 1.480 18225 8290 1 24 . 1 1 36 36 MET HA H 36 4.220 4.220 3.830 0.390 18225 8291 1 24 . 1 1 36 36 MET C C 36 177.903 177.903 177.686 0.217 18225 8292 1 24 . 1 1 36 36 MET CA C 36 58.653 58.653 56.020 2.632 18225 8293 1 24 . 1 1 36 36 MET CB C 36 32.172 32.172 32.820 -0.648 18225 8294 1 24 . 1 1 36 36 MET H H 36 8.252 8.252 7.894 0.358 18225 8295 1 24 . 1 1 37 37 LEU N N 37 119.978 119.978 121.137 -1.159 18225 8296 1 24 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.126 -0.098 18225 8297 1 24 . 1 1 37 37 LEU C C 37 178.393 178.393 178.569 -0.176 18225 8298 1 24 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.214 1.428 18225 8299 1 24 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.780 0.209 18225 8300 1 24 . 1 1 37 37 LEU H H 37 8.301 8.301 7.744 0.557 18225 8301 1 24 . 1 1 38 38 VAL N N 38 117.991 117.991 117.576 0.415 18225 8302 1 24 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.725 -0.223 18225 8303 1 24 . 1 1 38 38 VAL C C 38 177.962 177.962 176.602 1.360 18225 8304 1 24 . 1 1 38 38 VAL CA C 38 67.155 67.155 64.328 2.827 18225 8305 1 24 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.557 -0.142 18225 8306 1 24 . 1 1 38 38 VAL H H 38 8.414 8.414 7.603 0.811 18225 8307 1 24 . 1 1 39 39 PHE N N 39 119.830 119.830 120.882 -1.052 18225 8308 1 24 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.167 0.011 18225 8309 1 24 . 1 1 39 39 PHE C C 39 178.233 178.233 175.977 2.256 18225 8310 1 24 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.714 -0.211 18225 8311 1 24 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.613 -0.555 18225 8312 1 24 . 1 1 39 39 PHE H H 39 8.337 8.337 7.596 0.741 18225 8313 1 24 . 1 1 40 40 LEU N N 40 119.985 119.985 110.789 9.196 18225 8314 1 24 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.265 -0.299 18225 8315 1 24 . 1 1 40 40 LEU C C 40 179.279 179.279 176.003 3.276 18225 8316 1 24 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.456 2.416 18225 8317 1 24 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.704 0.683 18225 8318 1 24 . 1 1 40 40 LEU H H 40 8.603 8.603 7.451 1.152 18225 8319 1 24 . 1 1 41 41 LEU N N 41 118.649 118.649 118.757 -0.108 18225 8320 1 24 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.521 -0.477 18225 8321 1 24 . 1 1 41 41 LEU C C 41 178.670 178.670 176.686 1.984 18225 8322 1 24 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.721 2.962 18225 8323 1 24 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.547 -0.616 18225 8324 1 24 . 1 1 41 41 LEU H H 41 8.486 8.486 6.992 1.494 18225 8325 1 24 . 1 1 42 42 GLY N N 42 105.262 105.262 106.744 -1.482 18225 8326 1 24 . 1 1 42 42 GLY C C 42 174.814 174.814 174.548 0.266 18225 8327 1 24 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.177 0.228 18225 8328 1 24 . 1 1 42 42 GLY H H 42 8.289 8.289 7.775 0.514 18225 8329 1 24 . 1 1 43 43 THR N N 43 111.955 111.955 114.244 -2.289 18225 8330 1 24 . 1 1 43 43 THR HA H 43 4.243 4.243 4.270 -0.027 18225 8331 1 24 . 1 1 43 43 THR C C 43 175.888 175.888 174.917 0.971 18225 8332 1 24 . 1 1 43 43 THR CA C 43 63.505 63.505 64.027 -0.522 18225 8333 1 24 . 1 1 43 43 THR CB C 43 69.598 69.598 69.388 0.211 18225 8334 1 24 . 1 1 43 43 THR H H 43 7.891 7.891 7.462 0.429 18225 8335 1 24 . 1 1 44 44 THR N N 44 111.997 111.997 118.465 -6.468 18225 8336 1 24 . 1 1 44 44 THR HA H 44 4.320 4.320 3.986 0.334 18225 8337 1 24 . 1 1 44 44 THR C C 44 175.543 175.543 175.982 -0.439 18225 8338 1 24 . 1 1 44 44 THR CA C 44 63.009 63.009 65.752 -2.743 18225 8339 1 24 . 1 1 44 44 THR CB C 44 69.881 69.881 68.788 1.093 18225 8340 1 24 . 1 1 44 44 THR H H 44 7.740 7.740 7.840 -0.100 18225 8341 1 24 . 1 1 45 45 GLY N N 45 109.564 109.564 110.253 -0.689 18225 8342 1 24 . 1 1 45 45 GLY C C 45 174.928 174.928 174.304 0.624 18225 8343 1 24 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.304 0.116 18225 8344 1 24 . 1 1 45 45 GLY H H 45 8.243 8.243 8.287 -0.044 18225 8345 1 24 . 1 1 46 46 ASN N N 46 117.851 117.851 117.379 0.472 18225 8346 1 24 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.691 0.026 18225 8347 1 24 . 1 1 46 46 ASN C C 46 176.127 176.127 174.533 1.594 18225 8348 1 24 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.204 1.410 18225 8349 1 24 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.106 0.205 18225 8350 1 24 . 1 1 46 46 ASN H H 46 8.170 8.170 7.865 0.305 18225 8351 1 24 . 1 1 47 47 GLY N N 47 108.287 108.287 112.153 -3.866 18225 8352 1 24 . 1 1 47 47 GLY C C 47 174.612 174.612 175.334 -0.722 18225 8353 1 24 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.243 1.998 18225 8354 1 24 . 1 1 47 47 GLY H H 47 8.663 8.663 8.553 0.110 18225 8355 1 24 . 1 1 48 48 LEU N N 48 120.479 120.479 123.408 -2.929 18225 8356 1 24 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.466 -0.198 18225 8357 1 24 . 1 1 48 48 LEU C C 48 179.407 179.407 177.568 1.839 18225 8358 1 24 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.331 1.261 18225 8359 1 24 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.740 -0.002 18225 8360 1 24 . 1 1 48 48 LEU H H 48 8.149 8.149 8.392 -0.243 18225 8361 1 24 . 1 1 49 49 VAL N N 49 119.968 119.968 111.305 8.663 18225 8362 1 24 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.140 -0.324 18225 8363 1 24 . 1 1 49 49 VAL C C 49 177.444 177.444 175.693 1.751 18225 8364 1 24 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.535 2.408 18225 8365 1 24 . 1 1 49 49 VAL CB C 49 31.678 31.678 30.934 0.744 18225 8366 1 24 . 1 1 49 49 VAL H H 49 7.969 7.969 7.899 0.070 18225 8367 1 24 . 1 1 50 50 LEU N N 50 119.329 119.329 119.919 -0.590 18225 8368 1 24 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.660 -0.648 18225 8369 1 24 . 1 1 50 50 LEU C C 50 178.085 178.085 176.920 1.165 18225 8370 1 24 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.306 2.611 18225 8371 1 24 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.975 -1.269 18225 8372 1 24 . 1 1 50 50 LEU H H 50 7.814 7.814 7.665 0.149 18225 8373 1 24 . 1 1 51 51 TRP N N 51 118.186 118.186 122.088 -3.902 18225 8374 1 24 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.755 -0.266 18225 8375 1 24 . 1 1 51 51 TRP C C 51 177.377 177.377 178.306 -0.929 18225 8376 1 24 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.735 0.323 18225 8377 1 24 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.381 -0.601 18225 8378 1 24 . 1 1 51 51 TRP H H 51 8.125 8.125 7.577 0.548 18225 8379 1 24 . 1 1 52 52 THR N N 52 113.180 113.180 116.841 -3.661 18225 8380 1 24 . 1 1 52 52 THR HA H 52 3.787 3.787 2.998 0.789 18225 8381 1 24 . 1 1 52 52 THR C C 52 176.309 176.309 176.367 -0.058 18225 8382 1 24 . 1 1 52 52 THR CA C 52 66.473 66.473 65.747 0.726 18225 8383 1 24 . 1 1 52 52 THR CB C 52 68.865 68.865 67.970 0.895 18225 8384 1 24 . 1 1 52 52 THR H H 52 8.079 8.079 8.115 -0.036 18225 8385 1 24 . 1 1 53 53 VAL N N 53 119.953 119.953 120.104 -0.151 18225 8386 1 24 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.746 -0.098 18225 8387 1 24 . 1 1 53 53 VAL C C 53 177.252 177.252 176.873 0.379 18225 8388 1 24 . 1 1 53 53 VAL CA C 53 66.086 66.086 64.768 1.318 18225 8389 1 24 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.495 0.209 18225 8390 1 24 . 1 1 53 53 VAL H H 53 7.913 7.913 8.159 -0.246 18225 8391 1 24 . 1 1 54 54 PHE N N 54 118.204 118.204 120.710 -2.506 18225 8392 1 24 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.550 -0.303 18225 8393 1 24 . 1 1 54 54 PHE C C 54 177.144 177.144 174.906 2.238 18225 8394 1 24 . 1 1 54 54 PHE CA C 54 60.454 60.454 57.576 2.878 18225 8395 1 24 . 1 1 54 54 PHE CB C 54 39.116 39.116 40.632 -1.516 18225 8396 1 24 . 1 1 54 54 PHE H H 54 8.030 8.030 7.882 0.148 18225 8397 1 24 . 1 1 55 55 ARG N N 55 117.725 117.725 118.576 -0.851 18225 8398 1 24 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.489 -0.605 18225 8399 1 24 . 1 1 55 55 ARG C C 55 177.443 177.443 174.157 3.286 18225 8400 1 24 . 1 1 55 55 ARG CA C 55 57.554 57.554 55.629 1.925 18225 8401 1 24 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.268 -0.461 18225 8402 1 24 . 1 1 55 55 ARG H H 55 8.034 8.034 8.055 -0.021 18225 8403 1 24 . 1 1 56 56 LYS N N 56 118.622 118.622 120.126 -1.504 18225 8404 1 24 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.230 -0.066 18225 8405 1 24 . 1 1 56 56 LYS C C 56 177.418 177.418 177.107 0.311 18225 8406 1 24 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.818 0.699 18225 8407 1 24 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.207 0.601 18225 8408 1 24 . 1 1 56 56 LYS H H 56 7.804 7.804 8.054 -0.250 18225 8409 1 24 . 1 1 57 57 LYS N N 57 118.937 118.937 121.935 -2.998 18225 8410 1 24 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.131 0.127 18225 8411 1 24 . 1 1 57 57 LYS C C 57 177.029 177.029 177.699 -0.670 18225 8412 1 24 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.375 -0.765 18225 8413 1 24 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.680 1.198 18225 8414 1 24 . 1 1 57 57 LYS H H 57 7.974 7.974 8.134 -0.160 18225 8415 1 24 . 1 1 58 58 GLY N N 58 107.785 107.785 108.077 -0.292 18225 8416 1 24 . 1 1 58 58 GLY C C 58 173.543 173.543 173.333 0.210 18225 8417 1 24 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.001 0.472 18225 8418 1 24 . 1 1 58 58 GLY H H 58 8.136 8.136 7.977 0.159 18225 8419 1 24 . 1 1 59 59 HIS N N 59 117.024 117.024 108.985 8.039 18225 8420 1 24 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.963 0.659 18225 8421 1 24 . 1 1 59 59 HIS C C 59 174.183 174.183 174.238 -0.055 18225 8422 1 24 . 1 1 59 59 HIS CA C 59 55.281 55.281 57.069 -1.788 18225 8423 1 24 . 1 1 59 59 HIS CB C 59 29.081 29.081 27.474 1.607 18225 8424 1 24 . 1 1 59 59 HIS H H 59 8.163 8.163 8.139 0.024 18225 8425 1 24 . 1 1 60 60 HIS N N 60 118.841 118.841 119.134 -0.293 18225 8426 1 24 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.753 -0.123 18225 8427 1 24 . 1 1 60 60 HIS C C 60 174.157 174.157 173.984 0.173 18225 8428 1 24 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.576 -0.236 18225 8429 1 24 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.037 -0.933 18225 8430 1 24 . 1 1 60 60 HIS H H 60 8.507 8.507 7.970 0.537 18225 8431 1 24 . 1 1 61 61 HIS N N 61 119.636 119.636 124.393 -4.757 18225 8432 1 24 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.644 0.010 18225 8433 1 24 . 1 1 61 61 HIS C C 61 174.095 174.095 174.470 -0.375 18225 8434 1 24 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.002 -0.673 18225 8435 1 24 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.472 -1.238 18225 8436 1 24 . 1 1 61 61 HIS H H 61 8.613 8.613 9.046 -0.433 18225 8437 1 24 . 1 1 62 62 HIS N N 62 120.286 120.286 118.210 2.076 18225 8438 1 24 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.674 -0.014 18225 8439 1 24 . 1 1 62 62 HIS C C 62 173.928 173.928 173.731 0.197 18225 8440 1 24 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.993 -0.637 18225 8441 1 24 . 1 1 62 62 HIS CB C 62 29.329 29.329 31.283 -1.954 18225 8442 1 24 . 1 1 62 62 HIS H H 62 8.680 8.680 8.416 0.264 18225 8443 1 24 . 1 1 63 63 HIS N N 63 120.408 120.408 119.810 0.598 18225 8444 1 24 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.517 0.132 18225 8445 1 24 . 1 1 63 63 HIS C C 63 173.437 173.437 174.635 -1.198 18225 8446 1 24 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.423 -0.859 18225 8447 1 24 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.732 -0.249 18225 8448 1 24 . 1 1 63 63 HIS H H 63 8.541 8.541 8.290 0.251 18225 8449 1 25 . 1 1 2 2 GLU N N 2 123.432 123.432 122.341 1.091 18225 8450 1 25 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.531 -0.122 18225 8451 1 25 . 1 1 2 2 GLU C C 2 175.510 175.510 175.651 -0.141 18225 8452 1 25 . 1 1 2 2 GLU CA C 2 56.216 56.216 55.861 0.355 18225 8453 1 25 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.715 0.823 18225 8454 1 25 . 1 1 2 2 GLU H H 2 8.824 8.824 8.539 0.285 18225 8455 1 25 . 1 1 3 3 GLU N N 3 121.813 121.813 120.213 1.600 18225 8456 1 25 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.163 0.215 18225 8457 1 25 . 1 1 3 3 GLU C C 3 176.299 176.299 177.642 -1.343 18225 8458 1 25 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.590 -1.298 18225 8459 1 25 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.956 -0.504 18225 8460 1 25 . 1 1 3 3 GLU H H 3 8.546 8.546 7.944 0.602 18225 8461 1 25 . 1 1 4 4 GLY N N 4 109.619 109.619 111.438 -1.819 18225 8462 1 25 . 1 1 4 4 GLY C C 4 174.449 174.449 174.234 0.215 18225 8463 1 25 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.969 0.561 18225 8464 1 25 . 1 1 4 4 GLY H H 4 8.463 8.463 9.061 -0.598 18225 8465 1 25 . 1 1 5 5 GLY N N 5 108.241 108.241 107.968 0.273 18225 8466 1 25 . 1 1 5 5 GLY C C 5 173.965 173.965 174.033 -0.068 18225 8467 1 25 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.505 -0.053 18225 8468 1 25 . 1 1 5 5 GLY H H 5 8.220 8.220 8.248 -0.028 18225 8469 1 25 . 1 1 6 6 ASP N N 6 119.184 119.184 123.898 -4.714 18225 8470 1 25 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.262 0.336 18225 8471 1 25 . 1 1 6 6 ASP C C 6 175.801 175.801 176.349 -0.548 18225 8472 1 25 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.521 -1.609 18225 8473 1 25 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.001 -1.666 18225 8474 1 25 . 1 1 6 6 ASP H H 6 8.329 8.329 7.998 0.331 18225 8475 1 25 . 1 1 7 7 PHE N N 7 119.589 119.589 115.621 3.968 18225 8476 1 25 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.031 0.449 18225 8477 1 25 . 1 1 7 7 PHE C C 7 175.881 175.881 174.028 1.853 18225 8478 1 25 . 1 1 7 7 PHE CA C 7 58.821 58.821 59.362 -0.541 18225 8479 1 25 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.600 0.482 18225 8480 1 25 . 1 1 7 7 PHE H H 7 8.342 8.342 8.274 0.068 18225 8481 1 25 . 1 1 8 8 ASP N N 8 118.430 118.430 120.457 -2.027 18225 8482 1 25 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.948 0.508 18225 8483 1 25 . 1 1 8 8 ASP C C 8 175.642 175.642 175.533 0.109 18225 8484 1 25 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.659 -1.056 18225 8485 1 25 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.803 -2.219 18225 8486 1 25 . 1 1 8 8 ASP H H 8 8.223 8.223 7.762 0.461 18225 8487 1 25 . 1 1 9 9 ASN N N 9 117.097 117.097 122.553 -5.456 18225 8488 1 25 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.011 0.548 18225 8489 1 25 . 1 1 9 9 ASN C C 9 175.264 175.264 174.672 0.592 18225 8490 1 25 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.582 1.262 18225 8491 1 25 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.476 0.239 18225 8492 1 25 . 1 1 9 9 ASN H H 9 8.069 8.069 8.197 -0.128 18225 8493 1 25 . 1 1 10 10 TYR N N 10 119.007 119.007 116.729 2.278 18225 8494 1 25 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.985 0.364 18225 8495 1 25 . 1 1 10 10 TYR C C 10 175.387 175.387 176.620 -1.233 18225 8496 1 25 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.269 -1.075 18225 8497 1 25 . 1 1 10 10 TYR CB C 10 38.828 38.828 35.998 2.830 18225 8498 1 25 . 1 1 10 10 TYR H H 10 7.901 7.901 8.046 -0.145 18225 8499 1 25 . 1 1 11 11 TYR N N 11 117.992 117.992 117.855 0.137 18225 8500 1 25 . 1 1 11 11 TYR HA H 11 4.443 4.443 3.936 0.507 18225 8501 1 25 . 1 1 11 11 TYR C C 11 175.765 175.765 176.982 -1.217 18225 8502 1 25 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.728 -2.356 18225 8503 1 25 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.165 1.629 18225 8504 1 25 . 1 1 11 11 TYR H H 11 7.885 7.885 8.354 -0.469 18225 8505 1 25 . 1 1 12 12 GLY N N 12 108.601 108.601 105.421 3.180 18225 8506 1 25 . 1 1 12 12 GLY C C 12 173.934 173.934 174.923 -0.989 18225 8507 1 25 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.510 -0.021 18225 8508 1 25 . 1 1 12 12 GLY H H 12 7.861 7.861 8.702 -0.841 18225 8509 1 25 . 1 1 13 13 ALA N N 13 122.926 122.926 124.474 -1.548 18225 8510 1 25 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.749 0.530 18225 8511 1 25 . 1 1 13 13 ALA C C 13 177.457 177.457 178.874 -1.417 18225 8512 1 25 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.695 -1.913 18225 8513 1 25 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.131 2.316 18225 8514 1 25 . 1 1 13 13 ALA H H 13 7.985 7.985 8.010 -0.025 18225 8515 1 25 . 1 1 14 14 ASP N N 14 117.380 117.380 122.047 -4.667 18225 8516 1 25 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.375 0.266 18225 8517 1 25 . 1 1 14 14 ASP C C 14 175.428 175.428 178.398 -2.970 18225 8518 1 25 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.829 -3.157 18225 8519 1 25 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.493 -1.128 18225 8520 1 25 . 1 1 14 14 ASP H H 14 8.330 8.330 8.550 -0.220 18225 8521 1 25 . 1 1 15 15 ASN N N 15 118.465 118.465 118.011 0.454 18225 8522 1 25 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.511 0.128 18225 8523 1 25 . 1 1 15 15 ASN C C 15 175.467 175.467 176.399 -0.932 18225 8524 1 25 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.378 -1.721 18225 8525 1 25 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.983 -0.015 18225 8526 1 25 . 1 1 15 15 ASN H H 15 8.207 8.207 8.255 -0.048 18225 8527 1 25 . 1 1 16 16 GLN N N 16 119.741 119.741 117.617 2.124 18225 8528 1 25 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.456 -0.141 18225 8529 1 25 . 1 1 16 16 GLN C C 16 176.350 176.350 174.387 1.963 18225 8530 1 25 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.194 1.446 18225 8531 1 25 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.562 0.534 18225 8532 1 25 . 1 1 16 16 GLN H H 16 8.292 8.292 7.800 0.492 18225 8533 1 25 . 1 1 17 17 SER N N 17 115.772 115.772 115.211 0.561 18225 8534 1 25 . 1 1 17 17 SER HA H 17 4.390 4.390 4.618 -0.228 18225 8535 1 25 . 1 1 17 17 SER C C 17 174.799 174.799 173.218 1.581 18225 8536 1 25 . 1 1 17 17 SER CA C 17 59.165 59.165 57.861 1.304 18225 8537 1 25 . 1 1 17 17 SER CB C 17 63.651 63.651 64.568 -0.917 18225 8538 1 25 . 1 1 17 17 SER H H 17 8.224 8.224 7.691 0.533 18225 8539 1 25 . 1 1 18 18 GLU N N 18 121.211 121.211 122.854 -1.643 18225 8540 1 25 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.218 0.100 18225 8541 1 25 . 1 1 18 18 GLU C C 18 176.201 176.201 176.135 0.066 18225 8542 1 25 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.452 -0.727 18225 8543 1 25 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.340 0.625 18225 8544 1 25 . 1 1 18 18 GLU H H 18 8.285 8.285 8.948 -0.663 18225 8545 1 25 . 1 1 19 19 CYS N N 19 118.653 118.653 121.508 -2.855 18225 8546 1 25 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.338 0.085 18225 8547 1 25 . 1 1 19 19 CYS C C 19 174.698 174.698 174.471 0.227 18225 8548 1 25 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.925 0.150 18225 8549 1 25 . 1 1 19 19 CYS CB C 19 27.850 27.850 25.595 2.255 18225 8550 1 25 . 1 1 19 19 CYS H H 19 8.202 8.202 8.606 -0.404 18225 8551 1 25 . 1 1 20 20 GLU N N 20 121.851 121.851 117.728 4.123 18225 8552 1 25 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.158 0.107 18225 8553 1 25 . 1 1 20 20 GLU C C 20 176.100 176.100 174.998 1.102 18225 8554 1 25 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.713 -0.891 18225 8555 1 25 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.691 1.285 18225 8556 1 25 . 1 1 20 20 GLU H H 20 8.349 8.349 8.644 -0.295 18225 8557 1 25 . 1 1 21 21 TYR N N 21 118.491 118.491 114.171 4.320 18225 8558 1 25 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.078 -0.660 18225 8559 1 25 . 1 1 21 21 TYR C C 21 175.881 175.881 174.147 1.734 18225 8560 1 25 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.820 0.911 18225 8561 1 25 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.484 -0.858 18225 8562 1 25 . 1 1 21 21 TYR H H 21 7.974 7.974 8.048 -0.074 18225 8563 1 25 . 1 1 22 22 THR N N 22 112.161 112.161 112.926 -0.765 18225 8564 1 25 . 1 1 22 22 THR HA H 22 4.105 4.105 3.917 0.188 18225 8565 1 25 . 1 1 22 22 THR C C 22 174.666 174.666 176.077 -1.411 18225 8566 1 25 . 1 1 22 22 THR CA C 22 63.190 63.190 62.384 0.806 18225 8567 1 25 . 1 1 22 22 THR CB C 22 69.306 69.306 68.596 0.710 18225 8568 1 25 . 1 1 22 22 THR H H 22 7.747 7.747 7.395 0.352 18225 8569 1 25 . 1 1 23 23 ASP N N 23 120.529 120.529 122.342 -1.813 18225 8570 1 25 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.477 0.177 18225 8571 1 25 . 1 1 23 23 ASP C C 23 176.119 176.119 176.807 -0.688 18225 8572 1 25 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.250 -2.347 18225 8573 1 25 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.704 -1.566 18225 8574 1 25 . 1 1 23 23 ASP H H 23 8.114 8.114 8.414 -0.300 18225 8575 1 25 . 1 1 24 24 TRP N N 24 121.466 121.466 118.168 3.298 18225 8576 1 25 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.612 -0.136 18225 8577 1 25 . 1 1 24 24 TRP C C 24 176.578 176.578 175.170 1.408 18225 8578 1 25 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.604 2.707 18225 8579 1 25 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.537 0.649 18225 8580 1 25 . 1 1 24 24 TRP H H 24 8.034 8.034 7.639 0.395 18225 8581 1 25 . 1 1 25 25 LYS N N 25 119.430 119.430 122.709 -3.279 18225 8582 1 25 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.231 0.814 18225 8583 1 25 . 1 1 25 25 LYS C C 25 176.798 176.798 176.010 0.788 18225 8584 1 25 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.998 0.763 18225 8585 1 25 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.868 -0.459 18225 8586 1 25 . 1 1 25 25 LYS H H 25 7.880 7.880 6.920 0.960 18225 8587 1 25 . 1 1 26 26 SER N N 26 113.780 113.780 121.669 -7.889 18225 8588 1 25 . 1 1 26 26 SER HA H 26 4.461 4.461 4.567 -0.106 18225 8589 1 25 . 1 1 26 26 SER C C 26 174.957 174.957 174.097 0.860 18225 8590 1 25 . 1 1 26 26 SER CA C 26 58.760 58.760 56.700 2.060 18225 8591 1 25 . 1 1 26 26 SER CB C 26 63.889 63.889 63.411 0.478 18225 8592 1 25 . 1 1 26 26 SER H H 26 7.893 7.893 7.898 -0.005 18225 8593 1 25 . 1 1 27 27 SER N N 27 116.730 116.730 120.333 -3.603 18225 8594 1 25 . 1 1 27 27 SER HA H 27 4.328 4.328 4.170 0.158 18225 8595 1 25 . 1 1 27 27 SER C C 27 175.563 175.563 175.720 -0.157 18225 8596 1 25 . 1 1 27 27 SER CA C 27 59.856 59.856 60.554 -0.699 18225 8597 1 25 . 1 1 27 27 SER CB C 27 63.819 63.819 63.397 0.422 18225 8598 1 25 . 1 1 27 27 SER H H 27 8.137 8.137 8.265 -0.128 18225 8599 1 25 . 1 1 28 28 GLY N N 28 110.734 110.734 108.687 2.047 18225 8600 1 25 . 1 1 28 28 GLY C C 28 174.314 174.314 173.812 0.502 18225 8601 1 25 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.576 1.549 18225 8602 1 25 . 1 1 28 28 GLY H H 28 8.477 8.477 8.201 0.276 18225 8603 1 25 . 1 1 29 29 ALA N N 29 121.690 121.690 120.881 0.809 18225 8604 1 25 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.051 0.238 18225 8605 1 25 . 1 1 29 29 ALA C C 29 177.330 177.330 176.228 1.102 18225 8606 1 25 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.680 0.494 18225 8607 1 25 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.692 2.192 18225 8608 1 25 . 1 1 29 29 ALA H H 29 8.189 8.189 7.948 0.241 18225 8609 1 25 . 1 1 30 30 LEU N N 30 117.292 117.292 112.841 4.451 18225 8610 1 25 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.601 -0.522 18225 8611 1 25 . 1 1 30 30 LEU C C 30 177.377 177.377 176.721 0.656 18225 8612 1 25 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.579 3.655 18225 8613 1 25 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.256 0.158 18225 8614 1 25 . 1 1 30 30 LEU H H 30 7.873 7.873 8.002 -0.129 18225 8615 1 25 . 1 1 31 31 ILE N N 31 116.517 116.517 121.898 -5.381 18225 8616 1 25 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.207 -0.324 18225 8617 1 25 . 1 1 31 31 ILE CA C 31 66.266 66.266 64.984 1.282 18225 8618 1 25 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.814 -1.058 18225 8619 1 25 . 1 1 31 31 ILE H H 31 8.262 8.262 8.258 0.004 18225 8620 1 25 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.576 -0.364 18225 8621 1 25 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.407 2.586 18225 8622 1 25 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.787 0.205 18225 8623 1 25 . 1 1 33 33 ALA N N 33 118.208 118.208 121.605 -3.397 18225 8624 1 25 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.367 -0.301 18225 8625 1 25 . 1 1 33 33 ALA C C 33 178.814 178.814 178.628 0.186 18225 8626 1 25 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.634 2.055 18225 8627 1 25 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.126 -1.747 18225 8628 1 25 . 1 1 33 33 ALA H H 33 7.613 7.613 7.333 0.280 18225 8629 1 25 . 1 1 34 34 ILE N N 34 117.730 117.730 118.783 -1.053 18225 8630 1 25 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.799 -0.134 18225 8631 1 25 . 1 1 34 34 ILE C C 34 177.826 177.826 176.872 0.954 18225 8632 1 25 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.995 0.159 18225 8633 1 25 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.485 -1.202 18225 8634 1 25 . 1 1 34 34 ILE H H 34 8.259 8.259 7.448 0.811 18225 8635 1 25 . 1 1 35 35 TYR N N 35 118.693 118.693 118.048 0.645 18225 8636 1 25 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.244 -0.151 18225 8637 1 25 . 1 1 35 35 TYR C C 35 177.885 177.885 176.931 0.954 18225 8638 1 25 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.947 0.691 18225 8639 1 25 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.142 -1.218 18225 8640 1 25 . 1 1 35 35 TYR H H 35 8.347 8.347 7.540 0.807 18225 8641 1 25 . 1 1 36 36 MET N N 36 117.356 117.356 118.843 -1.487 18225 8642 1 25 . 1 1 36 36 MET HA H 36 4.220 4.220 4.472 -0.252 18225 8643 1 25 . 1 1 36 36 MET C C 36 177.903 177.903 177.448 0.455 18225 8644 1 25 . 1 1 36 36 MET CA C 36 58.653 58.653 57.990 0.663 18225 8645 1 25 . 1 1 36 36 MET CB C 36 32.172 32.172 33.393 -1.221 18225 8646 1 25 . 1 1 36 36 MET H H 36 8.252 8.252 7.715 0.537 18225 8647 1 25 . 1 1 37 37 LEU N N 37 119.978 119.978 121.027 -1.049 18225 8648 1 25 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.176 -0.148 18225 8649 1 25 . 1 1 37 37 LEU C C 37 178.393 178.393 176.271 2.122 18225 8650 1 25 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.927 2.715 18225 8651 1 25 . 1 1 37 37 LEU CB C 37 41.989 41.989 39.796 2.193 18225 8652 1 25 . 1 1 37 37 LEU H H 37 8.301 8.301 8.335 -0.034 18225 8653 1 25 . 1 1 38 38 VAL N N 38 117.991 117.991 118.331 -0.340 18225 8654 1 25 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.192 -0.690 18225 8655 1 25 . 1 1 38 38 VAL C C 38 177.962 177.962 176.266 1.696 18225 8656 1 25 . 1 1 38 38 VAL CA C 38 67.155 67.155 64.078 3.077 18225 8657 1 25 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.067 -2.652 18225 8658 1 25 . 1 1 38 38 VAL H H 38 8.414 8.414 8.207 0.207 18225 8659 1 25 . 1 1 39 39 PHE N N 39 119.830 119.830 121.994 -2.164 18225 8660 1 25 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.188 -0.010 18225 8661 1 25 . 1 1 39 39 PHE C C 39 178.233 178.233 175.494 2.739 18225 8662 1 25 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.922 0.581 18225 8663 1 25 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.657 -0.599 18225 8664 1 25 . 1 1 39 39 PHE H H 39 8.337 8.337 7.601 0.736 18225 8665 1 25 . 1 1 40 40 LEU N N 40 119.985 119.985 111.797 8.188 18225 8666 1 25 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.428 -0.462 18225 8667 1 25 . 1 1 40 40 LEU C C 40 179.279 179.279 175.345 3.934 18225 8668 1 25 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.213 3.659 18225 8669 1 25 . 1 1 40 40 LEU CB C 40 42.387 42.387 43.227 -0.840 18225 8670 1 25 . 1 1 40 40 LEU H H 40 8.603 8.603 7.189 1.414 18225 8671 1 25 . 1 1 41 41 LEU N N 41 118.649 118.649 121.719 -3.070 18225 8672 1 25 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.467 -0.423 18225 8673 1 25 . 1 1 41 41 LEU C C 41 178.670 178.670 175.639 3.031 18225 8674 1 25 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.255 2.428 18225 8675 1 25 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.246 -0.315 18225 8676 1 25 . 1 1 41 41 LEU H H 41 8.486 8.486 7.353 1.133 18225 8677 1 25 . 1 1 42 42 GLY N N 42 105.262 105.262 106.965 -1.703 18225 8678 1 25 . 1 1 42 42 GLY C C 42 174.814 174.814 173.848 0.966 18225 8679 1 25 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.773 0.632 18225 8680 1 25 . 1 1 42 42 GLY H H 42 8.289 8.289 7.748 0.541 18225 8681 1 25 . 1 1 43 43 THR N N 43 111.955 111.955 115.404 -3.449 18225 8682 1 25 . 1 1 43 43 THR HA H 43 4.243 4.243 4.528 -0.285 18225 8683 1 25 . 1 1 43 43 THR C C 43 175.888 175.888 175.218 0.670 18225 8684 1 25 . 1 1 43 43 THR CA C 43 63.505 63.505 62.492 1.013 18225 8685 1 25 . 1 1 43 43 THR CB C 43 69.598 69.598 70.325 -0.727 18225 8686 1 25 . 1 1 43 43 THR H H 43 7.891 7.891 7.968 -0.077 18225 8687 1 25 . 1 1 44 44 THR N N 44 111.997 111.997 117.329 -5.332 18225 8688 1 25 . 1 1 44 44 THR HA H 44 4.320 4.320 3.782 0.538 18225 8689 1 25 . 1 1 44 44 THR C C 44 175.543 175.543 176.225 -0.682 18225 8690 1 25 . 1 1 44 44 THR CA C 44 63.009 63.009 66.137 -3.128 18225 8691 1 25 . 1 1 44 44 THR CB C 44 69.881 69.881 68.954 0.927 18225 8692 1 25 . 1 1 44 44 THR H H 44 7.740 7.740 7.546 0.194 18225 8693 1 25 . 1 1 45 45 GLY N N 45 109.564 109.564 110.304 -0.740 18225 8694 1 25 . 1 1 45 45 GLY C C 45 174.928 174.928 174.140 0.788 18225 8695 1 25 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.783 -0.363 18225 8696 1 25 . 1 1 45 45 GLY H H 45 8.243 8.243 8.434 -0.191 18225 8697 1 25 . 1 1 46 46 ASN N N 46 117.851 117.851 118.467 -0.616 18225 8698 1 25 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.745 -0.028 18225 8699 1 25 . 1 1 46 46 ASN C C 46 176.127 176.127 174.329 1.798 18225 8700 1 25 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.702 0.912 18225 8701 1 25 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.916 -0.605 18225 8702 1 25 . 1 1 46 46 ASN H H 46 8.170 8.170 8.041 0.129 18225 8703 1 25 . 1 1 47 47 GLY N N 47 108.287 108.287 110.214 -1.927 18225 8704 1 25 . 1 1 47 47 GLY C C 47 174.612 174.612 173.067 1.545 18225 8705 1 25 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.296 1.945 18225 8706 1 25 . 1 1 47 47 GLY H H 47 8.663 8.663 8.355 0.308 18225 8707 1 25 . 1 1 48 48 LEU N N 48 120.479 120.479 120.722 -0.243 18225 8708 1 25 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.794 -0.526 18225 8709 1 25 . 1 1 48 48 LEU C C 48 179.407 179.407 178.415 0.992 18225 8710 1 25 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.521 2.071 18225 8711 1 25 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.269 -1.531 18225 8712 1 25 . 1 1 48 48 LEU H H 48 8.149 8.149 7.981 0.168 18225 8713 1 25 . 1 1 49 49 VAL N N 49 119.968 119.968 117.553 2.415 18225 8714 1 25 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.120 -0.304 18225 8715 1 25 . 1 1 49 49 VAL C C 49 177.444 177.444 175.522 1.922 18225 8716 1 25 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.412 1.531 18225 8717 1 25 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.556 0.122 18225 8718 1 25 . 1 1 49 49 VAL H H 49 7.969 7.969 8.051 -0.082 18225 8719 1 25 . 1 1 50 50 LEU N N 50 119.329 119.329 114.979 4.350 18225 8720 1 25 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.979 -0.967 18225 8721 1 25 . 1 1 50 50 LEU C C 50 178.085 178.085 175.858 2.227 18225 8722 1 25 . 1 1 50 50 LEU CA C 50 57.917 57.917 54.882 3.035 18225 8723 1 25 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.336 0.370 18225 8724 1 25 . 1 1 50 50 LEU H H 50 7.814 7.814 7.994 -0.180 18225 8725 1 25 . 1 1 51 51 TRP N N 51 118.186 118.186 123.584 -5.398 18225 8726 1 25 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.930 -0.441 18225 8727 1 25 . 1 1 51 51 TRP C C 51 177.377 177.377 177.161 0.216 18225 8728 1 25 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.391 0.667 18225 8729 1 25 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.562 -0.781 18225 8730 1 25 . 1 1 51 51 TRP H H 51 8.125 8.125 7.846 0.279 18225 8731 1 25 . 1 1 52 52 THR N N 52 113.180 113.180 114.178 -0.998 18225 8732 1 25 . 1 1 52 52 THR HA H 52 3.787 3.787 3.219 0.568 18225 8733 1 25 . 1 1 52 52 THR C C 52 176.309 176.309 176.865 -0.556 18225 8734 1 25 . 1 1 52 52 THR CA C 52 66.473 66.473 64.137 2.336 18225 8735 1 25 . 1 1 52 52 THR CB C 52 68.865 68.865 67.806 1.059 18225 8736 1 25 . 1 1 52 52 THR H H 52 8.079 8.079 7.427 0.652 18225 8737 1 25 . 1 1 53 53 VAL N N 53 119.953 119.953 121.155 -1.202 18225 8738 1 25 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.617 0.031 18225 8739 1 25 . 1 1 53 53 VAL C C 53 177.252 177.252 177.599 -0.347 18225 8740 1 25 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.738 0.348 18225 8741 1 25 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.698 0.006 18225 8742 1 25 . 1 1 53 53 VAL H H 53 7.913 7.913 7.770 0.143 18225 8743 1 25 . 1 1 54 54 PHE N N 54 118.204 118.204 118.238 -0.034 18225 8744 1 25 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.332 -0.085 18225 8745 1 25 . 1 1 54 54 PHE C C 54 177.144 177.144 175.522 1.622 18225 8746 1 25 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.012 0.442 18225 8747 1 25 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.087 0.030 18225 8748 1 25 . 1 1 54 54 PHE H H 54 8.030 8.030 8.091 -0.061 18225 8749 1 25 . 1 1 55 55 ARG N N 55 117.725 117.725 116.562 1.163 18225 8750 1 25 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.379 -0.495 18225 8751 1 25 . 1 1 55 55 ARG C C 55 177.443 177.443 176.359 1.084 18225 8752 1 25 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.555 0.999 18225 8753 1 25 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.899 -0.093 18225 8754 1 25 . 1 1 55 55 ARG H H 55 8.034 8.034 7.491 0.543 18225 8755 1 25 . 1 1 56 56 LYS N N 56 118.622 118.622 118.510 0.112 18225 8756 1 25 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.273 -0.109 18225 8757 1 25 . 1 1 56 56 LYS C C 56 177.418 177.418 178.033 -0.615 18225 8758 1 25 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.809 0.708 18225 8759 1 25 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.748 0.060 18225 8760 1 25 . 1 1 56 56 LYS H H 56 7.804 7.804 7.573 0.231 18225 8761 1 25 . 1 1 57 57 LYS N N 57 118.937 118.937 118.023 0.914 18225 8762 1 25 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.076 0.182 18225 8763 1 25 . 1 1 57 57 LYS C C 57 177.029 177.029 177.358 -0.329 18225 8764 1 25 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.994 -1.384 18225 8765 1 25 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.094 0.784 18225 8766 1 25 . 1 1 57 57 LYS H H 57 7.974 7.974 7.993 -0.019 18225 8767 1 25 . 1 1 58 58 GLY N N 58 107.785 107.785 107.265 0.520 18225 8768 1 25 . 1 1 58 58 GLY C C 58 173.543 173.543 173.268 0.275 18225 8769 1 25 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.525 0.948 18225 8770 1 25 . 1 1 58 58 GLY H H 58 8.136 8.136 7.982 0.154 18225 8771 1 25 . 1 1 59 59 HIS N N 59 117.024 117.024 118.228 -1.204 18225 8772 1 25 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.818 -0.196 18225 8773 1 25 . 1 1 59 59 HIS C C 59 174.183 174.183 174.696 -0.513 18225 8774 1 25 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.924 0.357 18225 8775 1 25 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.931 -0.850 18225 8776 1 25 . 1 1 59 59 HIS H H 59 8.163 8.163 8.415 -0.252 18225 8777 1 25 . 1 1 60 60 HIS N N 60 118.841 118.841 119.917 -1.076 18225 8778 1 25 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.449 0.181 18225 8779 1 25 . 1 1 60 60 HIS C C 60 174.157 174.157 173.346 0.811 18225 8780 1 25 . 1 1 60 60 HIS CA C 60 55.340 55.340 57.631 -2.291 18225 8781 1 25 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.257 -0.153 18225 8782 1 25 . 1 1 60 60 HIS H H 60 8.507 8.507 8.539 -0.032 18225 8783 1 25 . 1 1 61 61 HIS N N 61 119.636 119.636 115.958 3.678 18225 8784 1 25 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.915 -0.261 18225 8785 1 25 . 1 1 61 61 HIS C C 61 174.095 174.095 173.501 0.594 18225 8786 1 25 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.641 -0.312 18225 8787 1 25 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.159 -1.925 18225 8788 1 25 . 1 1 61 61 HIS H H 61 8.613 8.613 7.932 0.681 18225 8789 1 25 . 1 1 62 62 HIS N N 62 120.286 120.286 117.925 2.361 18225 8790 1 25 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.101 0.559 18225 8791 1 25 . 1 1 62 62 HIS C C 62 173.928 173.928 172.999 0.929 18225 8792 1 25 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.514 -1.158 18225 8793 1 25 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.468 -0.140 18225 8794 1 25 . 1 1 62 62 HIS H H 62 8.680 8.680 8.219 0.461 18225 8795 1 25 . 1 1 63 63 HIS N N 63 120.408 120.408 118.574 1.834 18225 8796 1 25 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.355 0.294 18225 8797 1 25 . 1 1 63 63 HIS C C 63 173.437 173.437 173.786 -0.349 18225 8798 1 25 . 1 1 63 63 HIS CA C 63 55.564 55.564 54.937 0.627 18225 8799 1 25 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.982 0.501 18225 8800 1 25 . 1 1 63 63 HIS H H 63 8.541 8.541 7.904 0.637 18225 8801 1 26 . 1 1 2 2 GLU N N 2 123.432 123.432 120.054 3.378 18225 8802 1 26 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.000 0.409 18225 8803 1 26 . 1 1 2 2 GLU C C 2 175.510 175.510 175.275 0.235 18225 8804 1 26 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.871 -0.655 18225 8805 1 26 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.337 1.201 18225 8806 1 26 . 1 1 2 2 GLU H H 2 8.824 8.824 8.502 0.322 18225 8807 1 26 . 1 1 3 3 GLU N N 3 121.813 121.813 118.755 3.058 18225 8808 1 26 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.067 0.311 18225 8809 1 26 . 1 1 3 3 GLU C C 3 176.299 176.299 177.141 -0.842 18225 8810 1 26 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.958 -0.666 18225 8811 1 26 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.782 -0.330 18225 8812 1 26 . 1 1 3 3 GLU H H 3 8.546 8.546 8.010 0.536 18225 8813 1 26 . 1 1 4 4 GLY N N 4 109.619 109.619 114.038 -4.419 18225 8814 1 26 . 1 1 4 4 GLY C C 4 174.449 174.449 175.267 -0.818 18225 8815 1 26 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.144 0.386 18225 8816 1 26 . 1 1 4 4 GLY H H 4 8.463 8.463 8.808 -0.345 18225 8817 1 26 . 1 1 5 5 GLY N N 5 108.241 108.241 109.852 -1.611 18225 8818 1 26 . 1 1 5 5 GLY C C 5 173.965 173.965 174.787 -0.822 18225 8819 1 26 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.365 0.086 18225 8820 1 26 . 1 1 5 5 GLY H H 5 8.220 8.220 8.076 0.144 18225 8821 1 26 . 1 1 6 6 ASP N N 6 119.184 119.184 121.625 -2.441 18225 8822 1 26 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.602 -0.004 18225 8823 1 26 . 1 1 6 6 ASP C C 6 175.801 175.801 177.864 -2.063 18225 8824 1 26 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.533 -0.621 18225 8825 1 26 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.919 -1.585 18225 8826 1 26 . 1 1 6 6 ASP H H 6 8.329 8.329 8.496 -0.167 18225 8827 1 26 . 1 1 7 7 PHE N N 7 119.589 119.589 119.233 0.356 18225 8828 1 26 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.387 0.093 18225 8829 1 26 . 1 1 7 7 PHE C C 7 175.881 175.881 175.963 -0.082 18225 8830 1 26 . 1 1 7 7 PHE CA C 7 58.821 58.821 59.635 -0.813 18225 8831 1 26 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.214 -0.132 18225 8832 1 26 . 1 1 7 7 PHE H H 7 8.342 8.342 7.769 0.573 18225 8833 1 26 . 1 1 8 8 ASP N N 8 118.430 118.430 120.509 -2.079 18225 8834 1 26 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.452 0.004 18225 8835 1 26 . 1 1 8 8 ASP C C 8 175.642 175.642 175.542 0.100 18225 8836 1 26 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.154 -0.551 18225 8837 1 26 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.822 -2.238 18225 8838 1 26 . 1 1 8 8 ASP H H 8 8.223 8.223 8.265 -0.042 18225 8839 1 26 . 1 1 9 9 ASN N N 9 117.097 117.097 122.338 -5.241 18225 8840 1 26 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.210 0.349 18225 8841 1 26 . 1 1 9 9 ASN C C 9 175.264 175.264 175.876 -0.612 18225 8842 1 26 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.534 1.310 18225 8843 1 26 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.474 0.241 18225 8844 1 26 . 1 1 9 9 ASN H H 9 8.069 8.069 8.280 -0.211 18225 8845 1 26 . 1 1 10 10 TYR N N 10 119.007 119.007 117.522 1.485 18225 8846 1 26 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.064 0.285 18225 8847 1 26 . 1 1 10 10 TYR C C 10 175.387 175.387 175.627 -0.240 18225 8848 1 26 . 1 1 10 10 TYR CA C 10 59.194 59.194 61.090 -1.897 18225 8849 1 26 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.721 2.107 18225 8850 1 26 . 1 1 10 10 TYR H H 10 7.901 7.901 7.744 0.157 18225 8851 1 26 . 1 1 11 11 TYR N N 11 117.992 117.992 121.607 -3.615 18225 8852 1 26 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.217 0.226 18225 8853 1 26 . 1 1 11 11 TYR C C 11 175.765 175.765 175.673 0.092 18225 8854 1 26 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.305 -0.933 18225 8855 1 26 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.447 0.347 18225 8856 1 26 . 1 1 11 11 TYR H H 11 7.885 7.885 8.573 -0.688 18225 8857 1 26 . 1 1 12 12 GLY N N 12 108.601 108.601 106.326 2.275 18225 8858 1 26 . 1 1 12 12 GLY C C 12 173.934 173.934 174.954 -1.020 18225 8859 1 26 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.448 0.041 18225 8860 1 26 . 1 1 12 12 GLY H H 12 7.861 7.861 7.446 0.415 18225 8861 1 26 . 1 1 13 13 ALA N N 13 122.926 122.926 121.991 0.935 18225 8862 1 26 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.984 0.295 18225 8863 1 26 . 1 1 13 13 ALA C C 13 177.457 177.457 178.621 -1.164 18225 8864 1 26 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.821 -1.039 18225 8865 1 26 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.763 0.684 18225 8866 1 26 . 1 1 13 13 ALA H H 13 7.985 7.985 8.125 -0.140 18225 8867 1 26 . 1 1 14 14 ASP N N 14 117.380 117.380 117.296 0.084 18225 8868 1 26 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.377 0.263 18225 8869 1 26 . 1 1 14 14 ASP C C 14 175.428 175.428 178.235 -2.807 18225 8870 1 26 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.375 -2.703 18225 8871 1 26 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.355 -0.990 18225 8872 1 26 . 1 1 14 14 ASP H H 14 8.330 8.330 8.492 -0.162 18225 8873 1 26 . 1 1 15 15 ASN N N 15 118.465 118.465 118.718 -0.253 18225 8874 1 26 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.502 0.137 18225 8875 1 26 . 1 1 15 15 ASN C C 15 175.467 175.467 176.173 -0.706 18225 8876 1 26 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.471 -1.814 18225 8877 1 26 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.184 -0.216 18225 8878 1 26 . 1 1 15 15 ASN H H 15 8.207 8.207 7.676 0.531 18225 8879 1 26 . 1 1 16 16 GLN N N 16 119.741 119.741 117.404 2.337 18225 8880 1 26 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.491 -0.176 18225 8881 1 26 . 1 1 16 16 GLN C C 16 176.350 176.350 175.233 1.117 18225 8882 1 26 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.050 1.589 18225 8883 1 26 . 1 1 16 16 GLN CB C 16 29.096 29.096 27.925 1.171 18225 8884 1 26 . 1 1 16 16 GLN H H 16 8.292 8.292 7.761 0.531 18225 8885 1 26 . 1 1 17 17 SER N N 17 115.772 115.772 115.389 0.383 18225 8886 1 26 . 1 1 17 17 SER HA H 17 4.390 4.390 4.541 -0.151 18225 8887 1 26 . 1 1 17 17 SER C C 17 174.799 174.799 175.395 -0.596 18225 8888 1 26 . 1 1 17 17 SER CA C 17 59.165 59.165 56.625 2.540 18225 8889 1 26 . 1 1 17 17 SER CB C 17 63.651 63.651 64.597 -0.946 18225 8890 1 26 . 1 1 17 17 SER H H 17 8.224 8.224 7.577 0.647 18225 8891 1 26 . 1 1 18 18 GLU N N 18 121.211 121.211 121.334 -0.123 18225 8892 1 26 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.259 0.059 18225 8893 1 26 . 1 1 18 18 GLU C C 18 176.201 176.201 176.369 -0.168 18225 8894 1 26 . 1 1 18 18 GLU CA C 18 56.725 56.725 56.935 -0.210 18225 8895 1 26 . 1 1 18 18 GLU CB C 18 28.965 28.965 27.203 1.762 18225 8896 1 26 . 1 1 18 18 GLU H H 18 8.285 8.285 8.831 -0.546 18225 8897 1 26 . 1 1 19 19 CYS N N 19 118.653 118.653 117.883 0.770 18225 8898 1 26 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.365 0.058 18225 8899 1 26 . 1 1 19 19 CYS C C 19 174.698 174.698 175.864 -1.166 18225 8900 1 26 . 1 1 19 19 CYS CA C 19 59.075 59.075 60.762 -1.687 18225 8901 1 26 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.620 -0.770 18225 8902 1 26 . 1 1 19 19 CYS H H 19 8.202 8.202 8.563 -0.361 18225 8903 1 26 . 1 1 20 20 GLU N N 20 121.851 121.851 117.491 4.360 18225 8904 1 26 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.560 -0.295 18225 8905 1 26 . 1 1 20 20 GLU C C 20 176.100 176.100 176.654 -0.554 18225 8906 1 26 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.437 0.385 18225 8907 1 26 . 1 1 20 20 GLU CB C 20 28.976 28.976 31.062 -2.087 18225 8908 1 26 . 1 1 20 20 GLU H H 20 8.349 8.349 8.536 -0.187 18225 8909 1 26 . 1 1 21 21 TYR N N 21 118.491 118.491 122.317 -3.826 18225 8910 1 26 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.914 -0.496 18225 8911 1 26 . 1 1 21 21 TYR C C 21 175.881 175.881 175.108 0.773 18225 8912 1 26 . 1 1 21 21 TYR CA C 21 58.731 58.731 59.268 -0.537 18225 8913 1 26 . 1 1 21 21 TYR CB C 21 38.626 38.626 36.296 2.330 18225 8914 1 26 . 1 1 21 21 TYR H H 21 7.974 7.974 8.453 -0.479 18225 8915 1 26 . 1 1 22 22 THR N N 22 112.161 112.161 113.937 -1.776 18225 8916 1 26 . 1 1 22 22 THR HA H 22 4.105 4.105 4.296 -0.191 18225 8917 1 26 . 1 1 22 22 THR C C 22 174.666 174.666 174.680 -0.014 18225 8918 1 26 . 1 1 22 22 THR CA C 22 63.190 63.190 63.283 -0.093 18225 8919 1 26 . 1 1 22 22 THR CB C 22 69.306 69.306 70.194 -0.888 18225 8920 1 26 . 1 1 22 22 THR H H 22 7.747 7.747 8.318 -0.571 18225 8921 1 26 . 1 1 23 23 ASP N N 23 120.529 120.529 122.325 -1.796 18225 8922 1 26 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.556 0.098 18225 8923 1 26 . 1 1 23 23 ASP C C 23 176.119 176.119 177.340 -1.221 18225 8924 1 26 . 1 1 23 23 ASP CA C 23 53.903 53.903 57.368 -3.465 18225 8925 1 26 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.172 -2.034 18225 8926 1 26 . 1 1 23 23 ASP H H 23 8.114 8.114 7.838 0.276 18225 8927 1 26 . 1 1 24 24 TRP N N 24 121.466 121.466 119.268 2.198 18225 8928 1 26 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.385 0.091 18225 8929 1 26 . 1 1 24 24 TRP C C 24 176.578 176.578 175.304 1.274 18225 8930 1 26 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.774 1.537 18225 8931 1 26 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.095 0.091 18225 8932 1 26 . 1 1 24 24 TRP H H 24 8.034 8.034 7.872 0.162 18225 8933 1 26 . 1 1 25 25 LYS N N 25 119.430 119.430 120.930 -1.500 18225 8934 1 26 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.699 1.346 18225 8935 1 26 . 1 1 25 25 LYS C C 25 176.798 176.798 176.535 0.263 18225 8936 1 26 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.418 1.343 18225 8937 1 26 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.687 -0.278 18225 8938 1 26 . 1 1 25 25 LYS H H 25 7.880 7.880 7.175 0.705 18225 8939 1 26 . 1 1 26 26 SER N N 26 113.780 113.780 120.392 -6.612 18225 8940 1 26 . 1 1 26 26 SER HA H 26 4.461 4.461 4.137 0.324 18225 8941 1 26 . 1 1 26 26 SER C C 26 174.957 174.957 175.014 -0.057 18225 8942 1 26 . 1 1 26 26 SER CA C 26 58.760 58.760 60.582 -1.822 18225 8943 1 26 . 1 1 26 26 SER CB C 26 63.889 63.889 63.634 0.255 18225 8944 1 26 . 1 1 26 26 SER H H 26 7.893 7.893 8.012 -0.119 18225 8945 1 26 . 1 1 27 27 SER N N 27 116.730 116.730 113.700 3.030 18225 8946 1 26 . 1 1 27 27 SER HA H 27 4.328 4.328 4.179 0.148 18225 8947 1 26 . 1 1 27 27 SER C C 27 175.563 175.563 173.849 1.714 18225 8948 1 26 . 1 1 27 27 SER CA C 27 59.856 59.856 59.420 0.436 18225 8949 1 26 . 1 1 27 27 SER CB C 27 63.819 63.819 62.535 1.284 18225 8950 1 26 . 1 1 27 27 SER H H 27 8.137 8.137 8.328 -0.191 18225 8951 1 26 . 1 1 28 28 GLY N N 28 110.734 110.734 106.041 4.693 18225 8952 1 26 . 1 1 28 28 GLY C C 28 174.314 174.314 173.419 0.895 18225 8953 1 26 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.773 1.352 18225 8954 1 26 . 1 1 28 28 GLY H H 28 8.477 8.477 7.907 0.570 18225 8955 1 26 . 1 1 29 29 ALA N N 29 121.690 121.690 121.425 0.265 18225 8956 1 26 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.765 -0.476 18225 8957 1 26 . 1 1 29 29 ALA C C 29 177.330 177.330 177.526 -0.196 18225 8958 1 26 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.551 0.623 18225 8959 1 26 . 1 1 29 29 ALA CB C 29 19.884 19.884 20.038 -0.154 18225 8960 1 26 . 1 1 29 29 ALA H H 29 8.189 8.189 7.912 0.277 18225 8961 1 26 . 1 1 30 30 LEU N N 30 117.292 117.292 119.726 -2.434 18225 8962 1 26 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.681 -0.602 18225 8963 1 26 . 1 1 30 30 LEU C C 30 177.377 177.377 177.628 -0.251 18225 8964 1 26 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.301 1.933 18225 8965 1 26 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.405 0.009 18225 8966 1 26 . 1 1 30 30 LEU H H 30 7.873 7.873 8.118 -0.245 18225 8967 1 26 . 1 1 31 31 ILE N N 31 116.517 116.517 119.509 -2.992 18225 8968 1 26 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.413 -0.530 18225 8969 1 26 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.294 2.971 18225 8970 1 26 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.650 0.106 18225 8971 1 26 . 1 1 31 31 ILE H H 31 8.262 8.262 8.054 0.208 18225 8972 1 26 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.547 -0.335 18225 8973 1 26 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.510 2.483 18225 8974 1 26 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.290 0.702 18225 8975 1 26 . 1 1 33 33 ALA N N 33 118.208 118.208 119.433 -1.225 18225 8976 1 26 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.522 -0.456 18225 8977 1 26 . 1 1 33 33 ALA C C 33 178.814 178.814 177.970 0.844 18225 8978 1 26 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.068 2.622 18225 8979 1 26 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.106 -1.727 18225 8980 1 26 . 1 1 33 33 ALA H H 33 7.613 7.613 7.681 -0.068 18225 8981 1 26 . 1 1 34 34 ILE N N 34 117.730 117.730 121.537 -3.807 18225 8982 1 26 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.755 -0.090 18225 8983 1 26 . 1 1 34 34 ILE C C 34 177.826 177.826 176.683 1.143 18225 8984 1 26 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.645 -0.491 18225 8985 1 26 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.505 -1.222 18225 8986 1 26 . 1 1 34 34 ILE H H 34 8.259 8.259 7.593 0.666 18225 8987 1 26 . 1 1 35 35 TYR N N 35 118.693 118.693 118.949 -0.256 18225 8988 1 26 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.097 -0.004 18225 8989 1 26 . 1 1 35 35 TYR C C 35 177.885 177.885 175.799 2.086 18225 8990 1 26 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.806 0.832 18225 8991 1 26 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.041 -0.117 18225 8992 1 26 . 1 1 35 35 TYR H H 35 8.347 8.347 7.736 0.611 18225 8993 1 26 . 1 1 36 36 MET N N 36 117.356 117.356 116.737 0.619 18225 8994 1 26 . 1 1 36 36 MET HA H 36 4.220 4.220 3.717 0.503 18225 8995 1 26 . 1 1 36 36 MET C C 36 177.903 177.903 178.591 -0.688 18225 8996 1 26 . 1 1 36 36 MET CA C 36 58.653 58.653 56.815 1.838 18225 8997 1 26 . 1 1 36 36 MET CB C 36 32.172 32.172 33.106 -0.934 18225 8998 1 26 . 1 1 36 36 MET H H 36 8.252 8.252 7.608 0.644 18225 8999 1 26 . 1 1 37 37 LEU N N 37 119.978 119.978 121.280 -1.302 18225 9000 1 26 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.000 0.028 18225 9001 1 26 . 1 1 37 37 LEU C C 37 178.393 178.393 178.195 0.198 18225 9002 1 26 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.689 0.953 18225 9003 1 26 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.920 0.069 18225 9004 1 26 . 1 1 37 37 LEU H H 37 8.301 8.301 8.369 -0.068 18225 9005 1 26 . 1 1 38 38 VAL N N 38 117.991 117.991 115.624 2.367 18225 9006 1 26 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.193 -0.691 18225 9007 1 26 . 1 1 38 38 VAL C C 38 177.962 177.962 176.380 1.582 18225 9008 1 26 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.421 4.734 18225 9009 1 26 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.480 -0.064 18225 9010 1 26 . 1 1 38 38 VAL H H 38 8.414 8.414 7.614 0.800 18225 9011 1 26 . 1 1 39 39 PHE N N 39 119.830 119.830 121.539 -1.709 18225 9012 1 26 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.144 0.034 18225 9013 1 26 . 1 1 39 39 PHE C C 39 178.233 178.233 176.098 2.135 18225 9014 1 26 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.318 0.185 18225 9015 1 26 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.741 -0.683 18225 9016 1 26 . 1 1 39 39 PHE H H 39 8.337 8.337 8.020 0.317 18225 9017 1 26 . 1 1 40 40 LEU N N 40 119.985 119.985 111.244 8.741 18225 9018 1 26 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.530 -0.564 18225 9019 1 26 . 1 1 40 40 LEU C C 40 179.279 179.279 175.572 3.707 18225 9020 1 26 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.601 3.271 18225 9021 1 26 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.520 -0.133 18225 9022 1 26 . 1 1 40 40 LEU H H 40 8.603 8.603 7.259 1.344 18225 9023 1 26 . 1 1 41 41 LEU N N 41 118.649 118.649 120.021 -1.372 18225 9024 1 26 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.473 -0.429 18225 9025 1 26 . 1 1 41 41 LEU C C 41 178.670 178.670 176.598 2.072 18225 9026 1 26 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.577 3.106 18225 9027 1 26 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.913 0.018 18225 9028 1 26 . 1 1 41 41 LEU H H 41 8.486 8.486 7.556 0.930 18225 9029 1 26 . 1 1 42 42 GLY N N 42 105.262 105.262 109.641 -4.379 18225 9030 1 26 . 1 1 42 42 GLY C C 42 174.814 174.814 174.465 0.349 18225 9031 1 26 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.046 0.359 18225 9032 1 26 . 1 1 42 42 GLY H H 42 8.289 8.289 8.236 0.053 18225 9033 1 26 . 1 1 43 43 THR N N 43 111.955 111.955 114.824 -2.869 18225 9034 1 26 . 1 1 43 43 THR HA H 43 4.243 4.243 4.545 -0.302 18225 9035 1 26 . 1 1 43 43 THR C C 43 175.888 175.888 176.018 -0.130 18225 9036 1 26 . 1 1 43 43 THR CA C 43 63.505 63.505 62.736 0.769 18225 9037 1 26 . 1 1 43 43 THR CB C 43 69.598 69.598 69.220 0.378 18225 9038 1 26 . 1 1 43 43 THR H H 43 7.891 7.891 7.844 0.047 18225 9039 1 26 . 1 1 44 44 THR N N 44 111.997 111.997 118.214 -6.217 18225 9040 1 26 . 1 1 44 44 THR HA H 44 4.320 4.320 3.987 0.333 18225 9041 1 26 . 1 1 44 44 THR C C 44 175.543 175.543 174.927 0.616 18225 9042 1 26 . 1 1 44 44 THR CA C 44 63.009 63.009 64.753 -1.744 18225 9043 1 26 . 1 1 44 44 THR CB C 44 69.881 69.881 69.144 0.737 18225 9044 1 26 . 1 1 44 44 THR H H 44 7.740 7.740 7.765 -0.025 18225 9045 1 26 . 1 1 45 45 GLY N N 45 109.564 109.564 108.233 1.331 18225 9046 1 26 . 1 1 45 45 GLY C C 45 174.928 174.928 174.437 0.491 18225 9047 1 26 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.425 1.996 18225 9048 1 26 . 1 1 45 45 GLY H H 45 8.243 8.243 7.956 0.287 18225 9049 1 26 . 1 1 46 46 ASN N N 46 117.851 117.851 119.452 -1.601 18225 9050 1 26 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.358 0.359 18225 9051 1 26 . 1 1 46 46 ASN C C 46 176.127 176.127 175.732 0.395 18225 9052 1 26 . 1 1 46 46 ASN CA C 46 54.614 54.614 55.089 -0.475 18225 9053 1 26 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.733 0.578 18225 9054 1 26 . 1 1 46 46 ASN H H 46 8.170 8.170 8.577 -0.407 18225 9055 1 26 . 1 1 47 47 GLY N N 47 108.287 108.287 105.197 3.090 18225 9056 1 26 . 1 1 47 47 GLY C C 47 174.612 174.612 173.929 0.683 18225 9057 1 26 . 1 1 47 47 GLY CA C 47 47.241 47.241 44.909 2.332 18225 9058 1 26 . 1 1 47 47 GLY H H 47 8.663 8.663 8.139 0.524 18225 9059 1 26 . 1 1 48 48 LEU N N 48 120.479 120.479 121.708 -1.229 18225 9060 1 26 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.804 -0.536 18225 9061 1 26 . 1 1 48 48 LEU C C 48 179.407 179.407 177.157 2.250 18225 9062 1 26 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.820 1.772 18225 9063 1 26 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.040 -1.302 18225 9064 1 26 . 1 1 48 48 LEU H H 48 8.149 8.149 7.963 0.186 18225 9065 1 26 . 1 1 49 49 VAL N N 49 119.968 119.968 114.779 5.189 18225 9066 1 26 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.157 -0.341 18225 9067 1 26 . 1 1 49 49 VAL C C 49 177.444 177.444 176.105 1.339 18225 9068 1 26 . 1 1 49 49 VAL CA C 49 65.943 65.943 62.921 3.022 18225 9069 1 26 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.514 0.164 18225 9070 1 26 . 1 1 49 49 VAL H H 49 7.969 7.969 7.657 0.312 18225 9071 1 26 . 1 1 50 50 LEU N N 50 119.329 119.329 114.614 4.715 18225 9072 1 26 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.763 -0.751 18225 9073 1 26 . 1 1 50 50 LEU C C 50 178.085 178.085 176.920 1.165 18225 9074 1 26 . 1 1 50 50 LEU CA C 50 57.917 57.917 54.841 3.076 18225 9075 1 26 . 1 1 50 50 LEU CB C 50 41.706 41.706 40.926 0.780 18225 9076 1 26 . 1 1 50 50 LEU H H 50 7.814 7.814 7.633 0.181 18225 9077 1 26 . 1 1 51 51 TRP N N 51 118.186 118.186 123.553 -5.367 18225 9078 1 26 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.834 -0.345 18225 9079 1 26 . 1 1 51 51 TRP C C 51 177.377 177.377 177.986 -0.609 18225 9080 1 26 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.264 0.794 18225 9081 1 26 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.239 -0.458 18225 9082 1 26 . 1 1 51 51 TRP H H 51 8.125 8.125 7.564 0.561 18225 9083 1 26 . 1 1 52 52 THR N N 52 113.180 113.180 116.344 -3.164 18225 9084 1 26 . 1 1 52 52 THR HA H 52 3.787 3.787 3.228 0.559 18225 9085 1 26 . 1 1 52 52 THR C C 52 176.309 176.309 176.497 -0.188 18225 9086 1 26 . 1 1 52 52 THR CA C 52 66.473 66.473 64.946 1.527 18225 9087 1 26 . 1 1 52 52 THR CB C 52 68.865 68.865 67.695 1.170 18225 9088 1 26 . 1 1 52 52 THR H H 52 8.079 8.079 8.062 0.017 18225 9089 1 26 . 1 1 53 53 VAL N N 53 119.953 119.953 120.817 -0.864 18225 9090 1 26 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.700 -0.052 18225 9091 1 26 . 1 1 53 53 VAL C C 53 177.252 177.252 176.913 0.339 18225 9092 1 26 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.149 0.937 18225 9093 1 26 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.310 0.394 18225 9094 1 26 . 1 1 53 53 VAL H H 53 7.913 7.913 8.177 -0.264 18225 9095 1 26 . 1 1 54 54 PHE N N 54 118.204 118.204 117.879 0.325 18225 9096 1 26 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.290 -0.043 18225 9097 1 26 . 1 1 54 54 PHE C C 54 177.144 177.144 175.013 2.131 18225 9098 1 26 . 1 1 54 54 PHE CA C 54 60.454 60.454 58.989 1.465 18225 9099 1 26 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.958 -0.842 18225 9100 1 26 . 1 1 54 54 PHE H H 54 8.030 8.030 7.469 0.561 18225 9101 1 26 . 1 1 55 55 ARG N N 55 117.725 117.725 115.312 2.413 18225 9102 1 26 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.416 -0.532 18225 9103 1 26 . 1 1 55 55 ARG C C 55 177.443 177.443 175.602 1.841 18225 9104 1 26 . 1 1 55 55 ARG CA C 55 57.554 57.554 55.108 2.446 18225 9105 1 26 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.023 -0.216 18225 9106 1 26 . 1 1 55 55 ARG H H 55 8.034 8.034 7.678 0.356 18225 9107 1 26 . 1 1 56 56 LYS N N 56 118.622 118.622 121.649 -3.027 18225 9108 1 26 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.147 0.017 18225 9109 1 26 . 1 1 56 56 LYS C C 56 177.418 177.418 177.464 -0.046 18225 9110 1 26 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.255 -0.738 18225 9111 1 26 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.771 0.037 18225 9112 1 26 . 1 1 56 56 LYS H H 56 7.804 7.804 7.522 0.282 18225 9113 1 26 . 1 1 57 57 LYS N N 57 118.937 118.937 118.485 0.452 18225 9114 1 26 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.067 0.191 18225 9115 1 26 . 1 1 57 57 LYS C C 57 177.029 177.029 177.994 -0.965 18225 9116 1 26 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.546 -0.936 18225 9117 1 26 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.675 1.203 18225 9118 1 26 . 1 1 57 57 LYS H H 57 7.974 7.974 7.985 -0.011 18225 9119 1 26 . 1 1 58 58 GLY N N 58 107.785 107.785 109.987 -2.202 18225 9120 1 26 . 1 1 58 58 GLY C C 58 173.543 173.543 174.682 -1.139 18225 9121 1 26 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.318 -0.845 18225 9122 1 26 . 1 1 58 58 GLY H H 58 8.136 8.136 8.333 -0.197 18225 9123 1 26 . 1 1 59 59 HIS N N 59 117.024 117.024 119.215 -2.191 18225 9124 1 26 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.780 -0.158 18225 9125 1 26 . 1 1 59 59 HIS C C 59 174.183 174.183 173.563 0.620 18225 9126 1 26 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.633 -0.352 18225 9127 1 26 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.704 -1.623 18225 9128 1 26 . 1 1 59 59 HIS H H 59 8.163 8.163 8.269 -0.106 18225 9129 1 26 . 1 1 60 60 HIS N N 60 118.841 118.841 122.566 -3.725 18225 9130 1 26 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.577 0.053 18225 9131 1 26 . 1 1 60 60 HIS C C 60 174.157 174.157 173.552 0.605 18225 9132 1 26 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.134 -0.794 18225 9133 1 26 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.253 -2.149 18225 9134 1 26 . 1 1 60 60 HIS H H 60 8.507 8.507 8.269 0.238 18225 9135 1 26 . 1 1 61 61 HIS N N 61 119.636 119.636 118.498 1.138 18225 9136 1 26 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.276 0.378 18225 9137 1 26 . 1 1 61 61 HIS C C 61 174.095 174.095 173.471 0.624 18225 9138 1 26 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.606 -0.277 18225 9139 1 26 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.455 -1.221 18225 9140 1 26 . 1 1 61 61 HIS H H 61 8.613 8.613 8.334 0.279 18225 9141 1 26 . 1 1 62 62 HIS N N 62 120.286 120.286 122.426 -2.140 18225 9142 1 26 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.108 0.552 18225 9143 1 26 . 1 1 62 62 HIS C C 62 173.928 173.928 174.649 -0.721 18225 9144 1 26 . 1 1 62 62 HIS CA C 62 55.356 55.356 54.893 0.463 18225 9145 1 26 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.632 -1.303 18225 9146 1 26 . 1 1 62 62 HIS H H 62 8.680 8.680 8.869 -0.189 18225 9147 1 26 . 1 1 63 63 HIS N N 63 120.408 120.408 115.315 5.093 18225 9148 1 26 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.649 -0.000 18225 9149 1 26 . 1 1 63 63 HIS C C 63 173.437 173.437 174.631 -1.194 18225 9150 1 26 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.088 0.476 18225 9151 1 26 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.227 0.256 18225 9152 1 26 . 1 1 63 63 HIS H H 63 8.541 8.541 8.220 0.321 18225 9153 1 27 . 1 1 2 2 GLU N N 2 123.432 123.432 121.787 1.645 18225 9154 1 27 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.482 -0.073 18225 9155 1 27 . 1 1 2 2 GLU C C 2 175.510 175.510 175.507 0.003 18225 9156 1 27 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.338 -0.122 18225 9157 1 27 . 1 1 2 2 GLU CB C 2 29.538 29.538 27.834 1.704 18225 9158 1 27 . 1 1 2 2 GLU H H 2 8.824 8.824 8.483 0.341 18225 9159 1 27 . 1 1 3 3 GLU N N 3 121.813 121.813 119.931 1.882 18225 9160 1 27 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.144 0.234 18225 9161 1 27 . 1 1 3 3 GLU C C 3 176.299 176.299 177.655 -1.356 18225 9162 1 27 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.001 -0.709 18225 9163 1 27 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.138 -0.686 18225 9164 1 27 . 1 1 3 3 GLU H H 3 8.546 8.546 8.018 0.528 18225 9165 1 27 . 1 1 4 4 GLY N N 4 109.619 109.619 109.421 0.198 18225 9166 1 27 . 1 1 4 4 GLY C C 4 174.449 174.449 174.401 0.048 18225 9167 1 27 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.910 0.620 18225 9168 1 27 . 1 1 4 4 GLY H H 4 8.463 8.463 8.994 -0.531 18225 9169 1 27 . 1 1 5 5 GLY N N 5 108.241 108.241 108.180 0.061 18225 9170 1 27 . 1 1 5 5 GLY C C 5 173.965 173.965 174.201 -0.236 18225 9171 1 27 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.290 1.162 18225 9172 1 27 . 1 1 5 5 GLY H H 5 8.220 8.220 8.175 0.045 18225 9173 1 27 . 1 1 6 6 ASP N N 6 119.184 119.184 122.055 -2.871 18225 9174 1 27 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.147 0.451 18225 9175 1 27 . 1 1 6 6 ASP C C 6 175.801 175.801 177.360 -1.559 18225 9176 1 27 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.537 -1.625 18225 9177 1 27 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.310 -1.975 18225 9178 1 27 . 1 1 6 6 ASP H H 6 8.329 8.329 8.324 0.005 18225 9179 1 27 . 1 1 7 7 PHE N N 7 119.589 119.589 112.954 6.635 18225 9180 1 27 . 1 1 7 7 PHE HA H 7 4.480 4.480 3.939 0.541 18225 9181 1 27 . 1 1 7 7 PHE C C 7 175.881 175.881 175.754 0.127 18225 9182 1 27 . 1 1 7 7 PHE CA C 7 58.821 58.821 60.420 -1.599 18225 9183 1 27 . 1 1 7 7 PHE CB C 7 39.082 39.082 37.437 1.645 18225 9184 1 27 . 1 1 7 7 PHE H H 7 8.342 8.342 7.798 0.544 18225 9185 1 27 . 1 1 8 8 ASP N N 8 118.430 118.430 123.061 -4.631 18225 9186 1 27 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.402 0.054 18225 9187 1 27 . 1 1 8 8 ASP C C 8 175.642 175.642 175.548 0.094 18225 9188 1 27 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.025 -0.422 18225 9189 1 27 . 1 1 8 8 ASP CB C 8 38.584 38.584 39.125 -0.541 18225 9190 1 27 . 1 1 8 8 ASP H H 8 8.223 8.223 8.529 -0.306 18225 9191 1 27 . 1 1 9 9 ASN N N 9 117.097 117.097 118.206 -1.109 18225 9192 1 27 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.272 0.287 18225 9193 1 27 . 1 1 9 9 ASN C C 9 175.264 175.264 175.831 -0.567 18225 9194 1 27 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.737 0.107 18225 9195 1 27 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.949 -0.234 18225 9196 1 27 . 1 1 9 9 ASN H H 9 8.069 8.069 8.408 -0.339 18225 9197 1 27 . 1 1 10 10 TYR N N 10 119.007 119.007 116.628 2.379 18225 9198 1 27 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.942 0.407 18225 9199 1 27 . 1 1 10 10 TYR C C 10 175.387 175.387 177.022 -1.635 18225 9200 1 27 . 1 1 10 10 TYR CA C 10 59.194 59.194 61.199 -2.005 18225 9201 1 27 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.639 2.189 18225 9202 1 27 . 1 1 10 10 TYR H H 10 7.901 7.901 7.512 0.389 18225 9203 1 27 . 1 1 11 11 TYR N N 11 117.992 117.992 117.650 0.342 18225 9204 1 27 . 1 1 11 11 TYR HA H 11 4.443 4.443 3.990 0.453 18225 9205 1 27 . 1 1 11 11 TYR C C 11 175.765 175.765 177.413 -1.648 18225 9206 1 27 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.763 -2.391 18225 9207 1 27 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.085 1.709 18225 9208 1 27 . 1 1 11 11 TYR H H 11 7.885 7.885 8.983 -1.098 18225 9209 1 27 . 1 1 12 12 GLY N N 12 108.601 108.601 105.892 2.709 18225 9210 1 27 . 1 1 12 12 GLY C C 12 173.934 173.934 174.474 -0.540 18225 9211 1 27 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.937 -0.448 18225 9212 1 27 . 1 1 12 12 GLY H H 12 7.861 7.861 8.718 -0.857 18225 9213 1 27 . 1 1 13 13 ALA N N 13 122.926 122.926 124.274 -1.348 18225 9214 1 27 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.792 0.487 18225 9215 1 27 . 1 1 13 13 ALA C C 13 177.457 177.457 179.555 -2.098 18225 9216 1 27 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.846 -2.064 18225 9217 1 27 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.230 2.217 18225 9218 1 27 . 1 1 13 13 ALA H H 13 7.985 7.985 8.623 -0.638 18225 9219 1 27 . 1 1 14 14 ASP N N 14 117.380 117.380 122.064 -4.684 18225 9220 1 27 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.289 0.351 18225 9221 1 27 . 1 1 14 14 ASP C C 14 175.428 175.428 178.445 -3.017 18225 9222 1 27 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.663 -2.991 18225 9223 1 27 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.190 -0.825 18225 9224 1 27 . 1 1 14 14 ASP H H 14 8.330 8.330 8.368 -0.038 18225 9225 1 27 . 1 1 15 15 ASN N N 15 118.465 118.465 116.789 1.676 18225 9226 1 27 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.397 0.242 18225 9227 1 27 . 1 1 15 15 ASN C C 15 175.467 175.467 176.036 -0.569 18225 9228 1 27 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.322 -1.665 18225 9229 1 27 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.383 0.585 18225 9230 1 27 . 1 1 15 15 ASN H H 15 8.207 8.207 8.472 -0.265 18225 9231 1 27 . 1 1 16 16 GLN N N 16 119.741 119.741 116.603 3.138 18225 9232 1 27 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.475 -0.160 18225 9233 1 27 . 1 1 16 16 GLN C C 16 176.350 176.350 174.869 1.481 18225 9234 1 27 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.266 1.374 18225 9235 1 27 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.965 0.131 18225 9236 1 27 . 1 1 16 16 GLN H H 16 8.292 8.292 7.628 0.664 18225 9237 1 27 . 1 1 17 17 SER N N 17 115.772 115.772 115.765 0.007 18225 9238 1 27 . 1 1 17 17 SER HA H 17 4.390 4.390 4.696 -0.306 18225 9239 1 27 . 1 1 17 17 SER C C 17 174.799 174.799 173.473 1.326 18225 9240 1 27 . 1 1 17 17 SER CA C 17 59.165 59.165 57.355 1.810 18225 9241 1 27 . 1 1 17 17 SER CB C 17 63.651 63.651 66.008 -2.357 18225 9242 1 27 . 1 1 17 17 SER H H 17 8.224 8.224 8.010 0.214 18225 9243 1 27 . 1 1 18 18 GLU N N 18 121.211 121.211 124.292 -3.081 18225 9244 1 27 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.464 -0.146 18225 9245 1 27 . 1 1 18 18 GLU C C 18 176.201 176.201 176.713 -0.512 18225 9246 1 27 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.170 -0.445 18225 9247 1 27 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.209 0.756 18225 9248 1 27 . 1 1 18 18 GLU H H 18 8.285 8.285 8.940 -0.655 18225 9249 1 27 . 1 1 19 19 CYS N N 19 118.653 118.653 123.307 -4.654 18225 9250 1 27 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.435 -0.012 18225 9251 1 27 . 1 1 19 19 CYS C C 19 174.698 174.698 174.705 -0.007 18225 9252 1 27 . 1 1 19 19 CYS CA C 19 59.075 59.075 57.572 1.503 18225 9253 1 27 . 1 1 19 19 CYS CB C 19 27.850 27.850 25.811 2.039 18225 9254 1 27 . 1 1 19 19 CYS H H 19 8.202 8.202 8.593 -0.391 18225 9255 1 27 . 1 1 20 20 GLU N N 20 121.851 121.851 118.566 3.285 18225 9256 1 27 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.216 0.049 18225 9257 1 27 . 1 1 20 20 GLU C C 20 176.100 176.100 175.227 0.873 18225 9258 1 27 . 1 1 20 20 GLU CA C 20 56.822 56.822 58.003 -1.181 18225 9259 1 27 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.510 1.466 18225 9260 1 27 . 1 1 20 20 GLU H H 20 8.349 8.349 8.866 -0.517 18225 9261 1 27 . 1 1 21 21 TYR N N 21 118.491 118.491 112.755 5.736 18225 9262 1 27 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.247 -0.829 18225 9263 1 27 . 1 1 21 21 TYR C C 21 175.881 175.881 174.642 1.239 18225 9264 1 27 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.044 1.687 18225 9265 1 27 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.838 -0.212 18225 9266 1 27 . 1 1 21 21 TYR H H 21 7.974 7.974 8.268 -0.294 18225 9267 1 27 . 1 1 22 22 THR N N 22 112.161 112.161 114.787 -2.626 18225 9268 1 27 . 1 1 22 22 THR HA H 22 4.105 4.105 3.914 0.191 18225 9269 1 27 . 1 1 22 22 THR C C 22 174.666 174.666 175.333 -0.667 18225 9270 1 27 . 1 1 22 22 THR CA C 22 63.190 63.190 63.241 -0.051 18225 9271 1 27 . 1 1 22 22 THR CB C 22 69.306 69.306 68.892 0.414 18225 9272 1 27 . 1 1 22 22 THR H H 22 7.747 7.747 7.913 -0.166 18225 9273 1 27 . 1 1 23 23 ASP N N 23 120.529 120.529 121.892 -1.363 18225 9274 1 27 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.437 0.217 18225 9275 1 27 . 1 1 23 23 ASP C C 23 176.119 176.119 177.036 -0.917 18225 9276 1 27 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.176 -2.273 18225 9277 1 27 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.775 -1.637 18225 9278 1 27 . 1 1 23 23 ASP H H 23 8.114 8.114 8.554 -0.440 18225 9279 1 27 . 1 1 24 24 TRP N N 24 121.466 121.466 119.337 2.129 18225 9280 1 27 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.589 -0.113 18225 9281 1 27 . 1 1 24 24 TRP C C 24 176.578 176.578 176.453 0.125 18225 9282 1 27 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.336 0.976 18225 9283 1 27 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.329 -0.143 18225 9284 1 27 . 1 1 24 24 TRP H H 24 8.034 8.034 7.789 0.245 18225 9285 1 27 . 1 1 25 25 LYS N N 25 119.430 119.430 118.977 0.453 18225 9286 1 27 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.714 1.331 18225 9287 1 27 . 1 1 25 25 LYS C C 25 176.798 176.798 174.894 1.904 18225 9288 1 27 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.367 0.394 18225 9289 1 27 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.910 1.500 18225 9290 1 27 . 1 1 25 25 LYS H H 25 7.880 7.880 6.938 0.942 18225 9291 1 27 . 1 1 26 26 SER N N 26 113.780 113.780 113.877 -0.097 18225 9292 1 27 . 1 1 26 26 SER HA H 26 4.461 4.461 4.233 0.228 18225 9293 1 27 . 1 1 26 26 SER C C 26 174.957 174.957 174.128 0.829 18225 9294 1 27 . 1 1 26 26 SER CA C 26 58.760 58.760 58.141 0.619 18225 9295 1 27 . 1 1 26 26 SER CB C 26 63.889 63.889 62.839 1.050 18225 9296 1 27 . 1 1 26 26 SER H H 26 7.893 7.893 8.044 -0.151 18225 9297 1 27 . 1 1 27 27 SER N N 27 116.730 116.730 118.009 -1.279 18225 9298 1 27 . 1 1 27 27 SER HA H 27 4.328 4.328 4.192 0.136 18225 9299 1 27 . 1 1 27 27 SER C C 27 175.563 175.563 175.355 0.208 18225 9300 1 27 . 1 1 27 27 SER CA C 27 59.856 59.856 60.825 -0.969 18225 9301 1 27 . 1 1 27 27 SER CB C 27 63.819 63.819 63.688 0.132 18225 9302 1 27 . 1 1 27 27 SER H H 27 8.137 8.137 8.237 -0.100 18225 9303 1 27 . 1 1 28 28 GLY N N 28 110.734 110.734 105.783 4.951 18225 9304 1 27 . 1 1 28 28 GLY C C 28 174.314 174.314 173.560 0.754 18225 9305 1 27 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.513 0.612 18225 9306 1 27 . 1 1 28 28 GLY H H 28 8.477 8.477 8.340 0.137 18225 9307 1 27 . 1 1 29 29 ALA N N 29 121.690 121.690 121.263 0.427 18225 9308 1 27 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.095 0.194 18225 9309 1 27 . 1 1 29 29 ALA C C 29 177.330 177.330 176.020 1.310 18225 9310 1 27 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.664 0.510 18225 9311 1 27 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.710 2.174 18225 9312 1 27 . 1 1 29 29 ALA H H 29 8.189 8.189 7.945 0.244 18225 9313 1 27 . 1 1 30 30 LEU N N 30 117.292 117.292 114.113 3.179 18225 9314 1 27 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.642 -0.563 18225 9315 1 27 . 1 1 30 30 LEU C C 30 177.377 177.377 176.850 0.527 18225 9316 1 27 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.254 3.980 18225 9317 1 27 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.407 0.007 18225 9318 1 27 . 1 1 30 30 LEU H H 30 7.873 7.873 8.032 -0.159 18225 9319 1 27 . 1 1 31 31 ILE N N 31 116.517 116.517 120.864 -4.347 18225 9320 1 27 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.298 -0.415 18225 9321 1 27 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.298 2.968 18225 9322 1 27 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.884 -0.128 18225 9323 1 27 . 1 1 31 31 ILE H H 31 8.262 8.262 8.209 0.053 18225 9324 1 27 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.602 -0.390 18225 9325 1 27 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.715 2.278 18225 9326 1 27 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.769 0.223 18225 9327 1 27 . 1 1 33 33 ALA N N 33 118.208 118.208 119.647 -1.439 18225 9328 1 27 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.461 -0.395 18225 9329 1 27 . 1 1 33 33 ALA C C 33 178.814 178.814 177.762 1.052 18225 9330 1 27 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.067 2.622 18225 9331 1 27 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.391 -2.012 18225 9332 1 27 . 1 1 33 33 ALA H H 33 7.613 7.613 7.323 0.290 18225 9333 1 27 . 1 1 34 34 ILE N N 34 117.730 117.730 118.009 -0.279 18225 9334 1 27 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.047 -0.382 18225 9335 1 27 . 1 1 34 34 ILE C C 34 177.826 177.826 176.665 1.161 18225 9336 1 27 . 1 1 34 34 ILE CA C 34 65.154 65.154 63.000 2.154 18225 9337 1 27 . 1 1 34 34 ILE CB C 34 37.283 37.283 39.357 -2.074 18225 9338 1 27 . 1 1 34 34 ILE H H 34 8.259 8.259 7.462 0.797 18225 9339 1 27 . 1 1 35 35 TYR N N 35 118.693 118.693 118.726 -0.033 18225 9340 1 27 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.226 -0.134 18225 9341 1 27 . 1 1 35 35 TYR C C 35 177.885 177.885 176.799 1.086 18225 9342 1 27 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.064 0.574 18225 9343 1 27 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.941 -1.017 18225 9344 1 27 . 1 1 35 35 TYR H H 35 8.347 8.347 7.769 0.578 18225 9345 1 27 . 1 1 36 36 MET N N 36 117.356 117.356 117.205 0.151 18225 9346 1 27 . 1 1 36 36 MET HA H 36 4.220 4.220 4.481 -0.261 18225 9347 1 27 . 1 1 36 36 MET C C 36 177.903 177.903 177.074 0.829 18225 9348 1 27 . 1 1 36 36 MET CA C 36 58.653 58.653 58.731 -0.078 18225 9349 1 27 . 1 1 36 36 MET CB C 36 32.172 32.172 33.536 -1.364 18225 9350 1 27 . 1 1 36 36 MET H H 36 8.252 8.252 7.978 0.274 18225 9351 1 27 . 1 1 37 37 LEU N N 37 119.978 119.978 118.963 1.015 18225 9352 1 27 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.224 -0.196 18225 9353 1 27 . 1 1 37 37 LEU C C 37 178.393 178.393 176.261 2.132 18225 9354 1 27 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.411 3.231 18225 9355 1 27 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.013 1.976 18225 9356 1 27 . 1 1 37 37 LEU H H 37 8.301 8.301 7.968 0.333 18225 9357 1 27 . 1 1 38 38 VAL N N 38 117.991 117.991 117.118 0.873 18225 9358 1 27 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.091 -0.589 18225 9359 1 27 . 1 1 38 38 VAL C C 38 177.962 177.962 176.144 1.818 18225 9360 1 27 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.665 3.490 18225 9361 1 27 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.015 -2.600 18225 9362 1 27 . 1 1 38 38 VAL H H 38 8.414 8.414 7.919 0.495 18225 9363 1 27 . 1 1 39 39 PHE N N 39 119.830 119.830 123.155 -3.325 18225 9364 1 27 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.429 -0.251 18225 9365 1 27 . 1 1 39 39 PHE C C 39 178.233 178.233 174.880 3.353 18225 9366 1 27 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.257 1.246 18225 9367 1 27 . 1 1 39 39 PHE CB C 39 39.058 39.058 41.121 -2.063 18225 9368 1 27 . 1 1 39 39 PHE H H 39 8.337 8.337 7.829 0.508 18225 9369 1 27 . 1 1 40 40 LEU N N 40 119.985 119.985 116.068 3.917 18225 9370 1 27 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.036 -0.070 18225 9371 1 27 . 1 1 40 40 LEU C C 40 179.279 179.279 176.726 2.553 18225 9372 1 27 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.053 1.819 18225 9373 1 27 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.283 1.104 18225 9374 1 27 . 1 1 40 40 LEU H H 40 8.603 8.603 7.514 1.089 18225 9375 1 27 . 1 1 41 41 LEU N N 41 118.649 118.649 119.466 -0.817 18225 9376 1 27 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.368 -0.324 18225 9377 1 27 . 1 1 41 41 LEU C C 41 178.670 178.670 178.612 0.058 18225 9378 1 27 . 1 1 41 41 LEU CA C 41 57.683 57.683 56.227 1.456 18225 9379 1 27 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.389 -0.458 18225 9380 1 27 . 1 1 41 41 LEU H H 41 8.486 8.486 7.416 1.070 18225 9381 1 27 . 1 1 42 42 GLY N N 42 105.262 105.262 107.914 -2.652 18225 9382 1 27 . 1 1 42 42 GLY C C 42 174.814 174.814 175.023 -0.209 18225 9383 1 27 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.493 -1.089 18225 9384 1 27 . 1 1 42 42 GLY H H 42 8.289 8.289 8.528 -0.239 18225 9385 1 27 . 1 1 43 43 THR N N 43 111.955 111.955 111.789 0.166 18225 9386 1 27 . 1 1 43 43 THR HA H 43 4.243 4.243 4.384 -0.141 18225 9387 1 27 . 1 1 43 43 THR C C 43 175.888 175.888 175.860 0.028 18225 9388 1 27 . 1 1 43 43 THR CA C 43 63.505 63.505 63.426 0.079 18225 9389 1 27 . 1 1 43 43 THR CB C 43 69.598 69.598 69.353 0.245 18225 9390 1 27 . 1 1 43 43 THR H H 43 7.891 7.891 7.538 0.353 18225 9391 1 27 . 1 1 44 44 THR N N 44 111.997 111.997 119.712 -7.715 18225 9392 1 27 . 1 1 44 44 THR HA H 44 4.320 4.320 3.964 0.356 18225 9393 1 27 . 1 1 44 44 THR C C 44 175.543 175.543 176.775 -1.232 18225 9394 1 27 . 1 1 44 44 THR CA C 44 63.009 63.009 65.960 -2.951 18225 9395 1 27 . 1 1 44 44 THR CB C 44 69.881 69.881 68.279 1.602 18225 9396 1 27 . 1 1 44 44 THR H H 44 7.740 7.740 7.859 -0.119 18225 9397 1 27 . 1 1 45 45 GLY N N 45 109.564 109.564 109.637 -0.073 18225 9398 1 27 . 1 1 45 45 GLY C C 45 174.928 174.928 174.609 0.319 18225 9399 1 27 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.502 -0.082 18225 9400 1 27 . 1 1 45 45 GLY H H 45 8.243 8.243 8.711 -0.468 18225 9401 1 27 . 1 1 46 46 ASN N N 46 117.851 117.851 116.180 1.671 18225 9402 1 27 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.855 -0.138 18225 9403 1 27 . 1 1 46 46 ASN C C 46 176.127 176.127 175.536 0.591 18225 9404 1 27 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.634 1.980 18225 9405 1 27 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.394 -0.083 18225 9406 1 27 . 1 1 46 46 ASN H H 46 8.170 8.170 7.757 0.413 18225 9407 1 27 . 1 1 47 47 GLY N N 47 108.287 108.287 108.791 -0.504 18225 9408 1 27 . 1 1 47 47 GLY C C 47 174.612 174.612 175.165 -0.553 18225 9409 1 27 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.440 1.801 18225 9410 1 27 . 1 1 47 47 GLY H H 47 8.663 8.663 8.178 0.485 18225 9411 1 27 . 1 1 48 48 LEU N N 48 120.479 120.479 119.914 0.565 18225 9412 1 27 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.764 -0.496 18225 9413 1 27 . 1 1 48 48 LEU C C 48 179.407 179.407 177.197 2.210 18225 9414 1 27 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.739 1.853 18225 9415 1 27 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.580 0.158 18225 9416 1 27 . 1 1 48 48 LEU H H 48 8.149 8.149 8.080 0.069 18225 9417 1 27 . 1 1 49 49 VAL N N 49 119.968 119.968 117.751 2.217 18225 9418 1 27 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.127 -0.311 18225 9419 1 27 . 1 1 49 49 VAL C C 49 177.444 177.444 176.493 0.951 18225 9420 1 27 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.335 1.608 18225 9421 1 27 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.542 -0.864 18225 9422 1 27 . 1 1 49 49 VAL H H 49 7.969 7.969 7.607 0.362 18225 9423 1 27 . 1 1 50 50 LEU N N 50 119.329 119.329 114.815 4.514 18225 9424 1 27 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.849 -0.837 18225 9425 1 27 . 1 1 50 50 LEU C C 50 178.085 178.085 176.595 1.490 18225 9426 1 27 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.437 2.480 18225 9427 1 27 . 1 1 50 50 LEU CB C 50 41.706 41.706 43.123 -1.417 18225 9428 1 27 . 1 1 50 50 LEU H H 50 7.814 7.814 7.563 0.251 18225 9429 1 27 . 1 1 51 51 TRP N N 51 118.186 118.186 124.032 -5.846 18225 9430 1 27 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.776 -0.287 18225 9431 1 27 . 1 1 51 51 TRP C C 51 177.377 177.377 178.099 -0.722 18225 9432 1 27 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.563 0.495 18225 9433 1 27 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.901 -0.120 18225 9434 1 27 . 1 1 51 51 TRP H H 51 8.125 8.125 7.911 0.214 18225 9435 1 27 . 1 1 52 52 THR N N 52 113.180 113.180 115.584 -2.404 18225 9436 1 27 . 1 1 52 52 THR HA H 52 3.787 3.787 3.213 0.574 18225 9437 1 27 . 1 1 52 52 THR C C 52 176.309 176.309 176.321 -0.012 18225 9438 1 27 . 1 1 52 52 THR CA C 52 66.473 66.473 64.322 2.151 18225 9439 1 27 . 1 1 52 52 THR CB C 52 68.865 68.865 67.709 1.156 18225 9440 1 27 . 1 1 52 52 THR H H 52 8.079 8.079 8.206 -0.127 18225 9441 1 27 . 1 1 53 53 VAL N N 53 119.953 119.953 119.736 0.217 18225 9442 1 27 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.707 -0.059 18225 9443 1 27 . 1 1 53 53 VAL C C 53 177.252 177.252 176.930 0.322 18225 9444 1 27 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.729 0.357 18225 9445 1 27 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.886 -0.182 18225 9446 1 27 . 1 1 53 53 VAL H H 53 7.913 7.913 7.857 0.056 18225 9447 1 27 . 1 1 54 54 PHE N N 54 118.204 118.204 118.231 -0.027 18225 9448 1 27 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.436 -0.189 18225 9449 1 27 . 1 1 54 54 PHE C C 54 177.144 177.144 175.831 1.313 18225 9450 1 27 . 1 1 54 54 PHE CA C 54 60.454 60.454 58.798 1.656 18225 9451 1 27 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.616 0.500 18225 9452 1 27 . 1 1 54 54 PHE H H 54 8.030 8.030 7.575 0.455 18225 9453 1 27 . 1 1 55 55 ARG N N 55 117.725 117.725 117.875 -0.150 18225 9454 1 27 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.328 -0.444 18225 9455 1 27 . 1 1 55 55 ARG C C 55 177.443 177.443 176.990 0.453 18225 9456 1 27 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.291 0.263 18225 9457 1 27 . 1 1 55 55 ARG CB C 55 29.807 29.807 32.244 -2.437 18225 9458 1 27 . 1 1 55 55 ARG H H 55 8.034 8.034 7.733 0.301 18225 9459 1 27 . 1 1 56 56 LYS N N 56 118.622 118.622 120.179 -1.557 18225 9460 1 27 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.124 0.040 18225 9461 1 27 . 1 1 56 56 LYS C C 56 177.418 177.418 177.542 -0.124 18225 9462 1 27 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.508 0.009 18225 9463 1 27 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.633 1.175 18225 9464 1 27 . 1 1 56 56 LYS H H 56 7.804 7.804 7.775 0.029 18225 9465 1 27 . 1 1 57 57 LYS N N 57 118.937 118.937 119.021 -0.084 18225 9466 1 27 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.962 0.296 18225 9467 1 27 . 1 1 57 57 LYS C C 57 177.029 177.029 177.584 -0.555 18225 9468 1 27 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.449 -0.839 18225 9469 1 27 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.512 0.366 18225 9470 1 27 . 1 1 57 57 LYS H H 57 7.974 7.974 7.850 0.124 18225 9471 1 27 . 1 1 58 58 GLY N N 58 107.785 107.785 106.397 1.388 18225 9472 1 27 . 1 1 58 58 GLY C C 58 173.543 173.543 174.330 -0.787 18225 9473 1 27 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.582 -0.109 18225 9474 1 27 . 1 1 58 58 GLY H H 58 8.136 8.136 7.852 0.284 18225 9475 1 27 . 1 1 59 59 HIS N N 59 117.024 117.024 119.245 -2.221 18225 9476 1 27 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.958 -0.336 18225 9477 1 27 . 1 1 59 59 HIS C C 59 174.183 174.183 174.522 -0.339 18225 9478 1 27 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.891 0.390 18225 9479 1 27 . 1 1 59 59 HIS CB C 59 29.081 29.081 31.218 -2.137 18225 9480 1 27 . 1 1 59 59 HIS H H 59 8.163 8.163 7.679 0.484 18225 9481 1 27 . 1 1 60 60 HIS N N 60 118.841 118.841 117.880 0.961 18225 9482 1 27 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.632 -0.002 18225 9483 1 27 . 1 1 60 60 HIS C C 60 174.157 174.157 173.941 0.216 18225 9484 1 27 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.794 -0.453 18225 9485 1 27 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.099 -0.995 18225 9486 1 27 . 1 1 60 60 HIS H H 60 8.507 8.507 7.876 0.631 18225 9487 1 27 . 1 1 61 61 HIS N N 61 119.636 119.636 118.852 0.784 18225 9488 1 27 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.690 -0.036 18225 9489 1 27 . 1 1 61 61 HIS C C 61 174.095 174.095 174.418 -0.323 18225 9490 1 27 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.627 -0.298 18225 9491 1 27 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.578 -1.344 18225 9492 1 27 . 1 1 61 61 HIS H H 61 8.613 8.613 8.309 0.304 18225 9493 1 27 . 1 1 62 62 HIS N N 62 120.286 120.286 117.688 2.598 18225 9494 1 27 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.573 0.087 18225 9495 1 27 . 1 1 62 62 HIS C C 62 173.928 173.928 173.991 -0.063 18225 9496 1 27 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.821 -0.465 18225 9497 1 27 . 1 1 62 62 HIS CB C 62 29.329 29.329 31.648 -2.319 18225 9498 1 27 . 1 1 62 62 HIS H H 62 8.680 8.680 8.598 0.082 18225 9499 1 27 . 1 1 63 63 HIS N N 63 120.408 120.408 119.625 0.783 18225 9500 1 27 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.749 -0.100 18225 9501 1 27 . 1 1 63 63 HIS C C 63 173.437 173.437 174.490 -1.053 18225 9502 1 27 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.013 -0.449 18225 9503 1 27 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.783 -0.300 18225 9504 1 27 . 1 1 63 63 HIS H H 63 8.541 8.541 8.978 -0.437 18225 9505 1 28 . 1 1 2 2 GLU N N 2 123.432 123.432 121.545 1.887 18225 9506 1 28 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.558 -0.149 18225 9507 1 28 . 1 1 2 2 GLU C C 2 175.510 175.510 175.620 -0.110 18225 9508 1 28 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.251 -0.035 18225 9509 1 28 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.539 -0.001 18225 9510 1 28 . 1 1 2 2 GLU H H 2 8.824 8.824 8.362 0.462 18225 9511 1 28 . 1 1 3 3 GLU N N 3 121.813 121.813 120.048 1.765 18225 9512 1 28 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.249 0.129 18225 9513 1 28 . 1 1 3 3 GLU C C 3 176.299 176.299 177.513 -1.214 18225 9514 1 28 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.518 -0.226 18225 9515 1 28 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.409 -0.957 18225 9516 1 28 . 1 1 3 3 GLU H H 3 8.546 8.546 7.901 0.645 18225 9517 1 28 . 1 1 4 4 GLY N N 4 109.619 109.619 110.972 -1.353 18225 9518 1 28 . 1 1 4 4 GLY C C 4 174.449 174.449 174.324 0.125 18225 9519 1 28 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.211 0.319 18225 9520 1 28 . 1 1 4 4 GLY H H 4 8.463 8.463 8.539 -0.076 18225 9521 1 28 . 1 1 5 5 GLY N N 5 108.241 108.241 108.897 -0.656 18225 9522 1 28 . 1 1 5 5 GLY C C 5 173.965 173.965 173.723 0.242 18225 9523 1 28 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.038 0.414 18225 9524 1 28 . 1 1 5 5 GLY H H 5 8.220 8.220 7.765 0.455 18225 9525 1 28 . 1 1 6 6 ASP N N 6 119.184 119.184 125.601 -6.417 18225 9526 1 28 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.399 0.199 18225 9527 1 28 . 1 1 6 6 ASP C C 6 175.801 175.801 176.983 -1.182 18225 9528 1 28 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.100 -1.188 18225 9529 1 28 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.611 -1.276 18225 9530 1 28 . 1 1 6 6 ASP H H 6 8.329 8.329 8.828 -0.499 18225 9531 1 28 . 1 1 7 7 PHE N N 7 119.589 119.589 118.954 0.635 18225 9532 1 28 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.269 0.211 18225 9533 1 28 . 1 1 7 7 PHE C C 7 175.881 175.881 175.810 0.071 18225 9534 1 28 . 1 1 7 7 PHE CA C 7 58.821 58.821 59.228 -0.407 18225 9535 1 28 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.532 -0.450 18225 9536 1 28 . 1 1 7 7 PHE H H 7 8.342 8.342 7.714 0.628 18225 9537 1 28 . 1 1 8 8 ASP N N 8 118.430 118.430 119.042 -0.612 18225 9538 1 28 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.467 -0.011 18225 9539 1 28 . 1 1 8 8 ASP C C 8 175.642 175.642 175.557 0.085 18225 9540 1 28 . 1 1 8 8 ASP CA C 8 54.603 54.603 56.108 -1.505 18225 9541 1 28 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.907 -2.324 18225 9542 1 28 . 1 1 8 8 ASP H H 8 8.223 8.223 7.823 0.400 18225 9543 1 28 . 1 1 9 9 ASN N N 9 117.097 117.097 121.403 -4.306 18225 9544 1 28 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.699 -0.140 18225 9545 1 28 . 1 1 9 9 ASN C C 9 175.264 175.264 175.814 -0.550 18225 9546 1 28 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.900 -0.056 18225 9547 1 28 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.624 -0.909 18225 9548 1 28 . 1 1 9 9 ASN H H 9 8.069 8.069 8.469 -0.400 18225 9549 1 28 . 1 1 10 10 TYR N N 10 119.007 119.007 119.872 -0.865 18225 9550 1 28 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.565 -0.216 18225 9551 1 28 . 1 1 10 10 TYR C C 10 175.387 175.387 177.268 -1.881 18225 9552 1 28 . 1 1 10 10 TYR CA C 10 59.194 59.194 59.646 -0.452 18225 9553 1 28 . 1 1 10 10 TYR CB C 10 38.828 38.828 39.608 -0.780 18225 9554 1 28 . 1 1 10 10 TYR H H 10 7.901 7.901 8.565 -0.664 18225 9555 1 28 . 1 1 11 11 TYR N N 11 117.992 117.992 117.363 0.629 18225 9556 1 28 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.125 0.318 18225 9557 1 28 . 1 1 11 11 TYR C C 11 175.765 175.765 176.699 -0.934 18225 9558 1 28 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.020 -1.648 18225 9559 1 28 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.558 1.236 18225 9560 1 28 . 1 1 11 11 TYR H H 11 7.885 7.885 8.563 -0.678 18225 9561 1 28 . 1 1 12 12 GLY N N 12 108.601 108.601 108.004 0.597 18225 9562 1 28 . 1 1 12 12 GLY C C 12 173.934 173.934 173.259 0.675 18225 9563 1 28 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.370 0.119 18225 9564 1 28 . 1 1 12 12 GLY H H 12 7.861 7.861 8.554 -0.693 18225 9565 1 28 . 1 1 13 13 ALA N N 13 122.926 122.926 124.936 -2.010 18225 9566 1 28 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.427 -0.148 18225 9567 1 28 . 1 1 13 13 ALA C C 13 177.457 177.457 177.620 -0.163 18225 9568 1 28 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.797 -0.015 18225 9569 1 28 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.699 -0.252 18225 9570 1 28 . 1 1 13 13 ALA H H 13 7.985 7.985 7.758 0.228 18225 9571 1 28 . 1 1 14 14 ASP N N 14 117.380 117.380 120.738 -3.358 18225 9572 1 28 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.300 0.340 18225 9573 1 28 . 1 1 14 14 ASP C C 14 175.428 175.428 177.605 -2.177 18225 9574 1 28 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.933 -3.261 18225 9575 1 28 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.666 -1.301 18225 9576 1 28 . 1 1 14 14 ASP H H 14 8.330 8.330 8.475 -0.145 18225 9577 1 28 . 1 1 15 15 ASN N N 15 118.465 118.465 116.841 1.624 18225 9578 1 28 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.538 0.101 18225 9579 1 28 . 1 1 15 15 ASN C C 15 175.467 175.467 176.372 -0.905 18225 9580 1 28 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.400 -1.742 18225 9581 1 28 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.618 0.350 18225 9582 1 28 . 1 1 15 15 ASN H H 15 8.207 8.207 8.599 -0.392 18225 9583 1 28 . 1 1 16 16 GLN N N 16 119.741 119.741 117.336 2.405 18225 9584 1 28 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.480 -0.165 18225 9585 1 28 . 1 1 16 16 GLN C C 16 176.350 176.350 174.878 1.472 18225 9586 1 28 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.941 0.699 18225 9587 1 28 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.056 1.040 18225 9588 1 28 . 1 1 16 16 GLN H H 16 8.292 8.292 8.011 0.281 18225 9589 1 28 . 1 1 17 17 SER N N 17 115.772 115.772 115.214 0.558 18225 9590 1 28 . 1 1 17 17 SER HA H 17 4.390 4.390 4.614 -0.224 18225 9591 1 28 . 1 1 17 17 SER C C 17 174.799 174.799 173.224 1.575 18225 9592 1 28 . 1 1 17 17 SER CA C 17 59.165 59.165 56.471 2.694 18225 9593 1 28 . 1 1 17 17 SER CB C 17 63.651 63.651 64.507 -0.856 18225 9594 1 28 . 1 1 17 17 SER H H 17 8.224 8.224 7.413 0.811 18225 9595 1 28 . 1 1 18 18 GLU N N 18 121.211 121.211 122.019 -0.808 18225 9596 1 28 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.179 0.139 18225 9597 1 28 . 1 1 18 18 GLU C C 18 176.201 176.201 175.445 0.756 18225 9598 1 28 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.591 -0.866 18225 9599 1 28 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.331 0.634 18225 9600 1 28 . 1 1 18 18 GLU H H 18 8.285 8.285 8.623 -0.338 18225 9601 1 28 . 1 1 19 19 CYS N N 19 118.653 118.653 121.242 -2.589 18225 9602 1 28 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.731 -0.308 18225 9603 1 28 . 1 1 19 19 CYS C C 19 174.698 174.698 174.312 0.386 18225 9604 1 28 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.482 0.593 18225 9605 1 28 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.829 -0.979 18225 9606 1 28 . 1 1 19 19 CYS H H 19 8.202 8.202 8.518 -0.316 18225 9607 1 28 . 1 1 20 20 GLU N N 20 121.851 121.851 118.236 3.615 18225 9608 1 28 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.451 -0.186 18225 9609 1 28 . 1 1 20 20 GLU C C 20 176.100 176.100 176.372 -0.272 18225 9610 1 28 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.671 0.151 18225 9611 1 28 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.833 -0.857 18225 9612 1 28 . 1 1 20 20 GLU H H 20 8.349 8.349 8.314 0.035 18225 9613 1 28 . 1 1 21 21 TYR N N 21 118.491 118.491 121.557 -3.066 18225 9614 1 28 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.747 -0.329 18225 9615 1 28 . 1 1 21 21 TYR C C 21 175.881 175.881 177.746 -1.865 18225 9616 1 28 . 1 1 21 21 TYR CA C 21 58.731 58.731 60.971 -2.240 18225 9617 1 28 . 1 1 21 21 TYR CB C 21 38.626 38.626 37.340 1.286 18225 9618 1 28 . 1 1 21 21 TYR H H 21 7.974 7.974 8.353 -0.379 18225 9619 1 28 . 1 1 22 22 THR N N 22 112.161 112.161 113.098 -0.937 18225 9620 1 28 . 1 1 22 22 THR HA H 22 4.105 4.105 3.764 0.341 18225 9621 1 28 . 1 1 22 22 THR C C 22 174.666 174.666 175.166 -0.500 18225 9622 1 28 . 1 1 22 22 THR CA C 22 63.190 63.190 65.246 -2.056 18225 9623 1 28 . 1 1 22 22 THR CB C 22 69.306 69.306 67.922 1.384 18225 9624 1 28 . 1 1 22 22 THR H H 22 7.747 7.747 8.161 -0.414 18225 9625 1 28 . 1 1 23 23 ASP N N 23 120.529 120.529 119.470 1.059 18225 9626 1 28 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.414 0.240 18225 9627 1 28 . 1 1 23 23 ASP C C 23 176.119 176.119 176.779 -0.660 18225 9628 1 28 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.244 -2.341 18225 9629 1 28 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.035 -1.897 18225 9630 1 28 . 1 1 23 23 ASP H H 23 8.114 8.114 8.367 -0.253 18225 9631 1 28 . 1 1 24 24 TRP N N 24 121.466 121.466 116.460 5.006 18225 9632 1 28 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.666 -0.190 18225 9633 1 28 . 1 1 24 24 TRP C C 24 176.578 176.578 176.205 0.373 18225 9634 1 28 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.343 0.968 18225 9635 1 28 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.799 -0.613 18225 9636 1 28 . 1 1 24 24 TRP H H 24 8.034 8.034 7.458 0.576 18225 9637 1 28 . 1 1 25 25 LYS N N 25 119.430 119.430 121.763 -2.333 18225 9638 1 28 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.305 0.740 18225 9639 1 28 . 1 1 25 25 LYS C C 25 176.798 176.798 175.547 1.251 18225 9640 1 28 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.333 1.428 18225 9641 1 28 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.960 0.449 18225 9642 1 28 . 1 1 25 25 LYS H H 25 7.880 7.880 6.592 1.288 18225 9643 1 28 . 1 1 26 26 SER N N 26 113.780 113.780 117.404 -3.624 18225 9644 1 28 . 1 1 26 26 SER HA H 26 4.461 4.461 4.644 -0.183 18225 9645 1 28 . 1 1 26 26 SER C C 26 174.957 174.957 174.641 0.316 18225 9646 1 28 . 1 1 26 26 SER CA C 26 58.760 58.760 57.491 1.269 18225 9647 1 28 . 1 1 26 26 SER CB C 26 63.889 63.889 62.363 1.526 18225 9648 1 28 . 1 1 26 26 SER H H 26 7.893 7.893 8.549 -0.656 18225 9649 1 28 . 1 1 27 27 SER N N 27 116.730 116.730 120.661 -3.931 18225 9650 1 28 . 1 1 27 27 SER HA H 27 4.328 4.328 4.203 0.125 18225 9651 1 28 . 1 1 27 27 SER C C 27 175.563 175.563 175.708 -0.145 18225 9652 1 28 . 1 1 27 27 SER CA C 27 59.856 59.856 60.700 -0.844 18225 9653 1 28 . 1 1 27 27 SER CB C 27 63.819 63.819 63.463 0.356 18225 9654 1 28 . 1 1 27 27 SER H H 27 8.137 8.137 7.933 0.204 18225 9655 1 28 . 1 1 28 28 GLY N N 28 110.734 110.734 107.089 3.645 18225 9656 1 28 . 1 1 28 28 GLY C C 28 174.314 174.314 173.481 0.833 18225 9657 1 28 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.745 1.380 18225 9658 1 28 . 1 1 28 28 GLY H H 28 8.477 8.477 8.271 0.206 18225 9659 1 28 . 1 1 29 29 ALA N N 29 121.690 121.690 122.330 -0.640 18225 9660 1 28 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.194 0.095 18225 9661 1 28 . 1 1 29 29 ALA C C 29 177.330 177.330 176.314 1.016 18225 9662 1 28 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.722 0.452 18225 9663 1 28 . 1 1 29 29 ALA CB C 29 19.884 19.884 16.866 3.018 18225 9664 1 28 . 1 1 29 29 ALA H H 29 8.189 8.189 8.049 0.140 18225 9665 1 28 . 1 1 30 30 LEU N N 30 117.292 117.292 113.797 3.495 18225 9666 1 28 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.647 -0.568 18225 9667 1 28 . 1 1 30 30 LEU C C 30 177.377 177.377 177.289 0.088 18225 9668 1 28 . 1 1 30 30 LEU CA C 30 58.234 58.234 53.745 4.489 18225 9669 1 28 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.826 -0.412 18225 9670 1 28 . 1 1 30 30 LEU H H 30 7.873 7.873 7.878 -0.005 18225 9671 1 28 . 1 1 31 31 ILE N N 31 116.517 116.517 121.325 -4.808 18225 9672 1 28 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.246 -0.363 18225 9673 1 28 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.107 3.159 18225 9674 1 28 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.104 -0.348 18225 9675 1 28 . 1 1 31 31 ILE H H 31 8.262 8.262 8.268 -0.006 18225 9676 1 28 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.589 -0.377 18225 9677 1 28 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.155 2.838 18225 9678 1 28 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.342 0.650 18225 9679 1 28 . 1 1 33 33 ALA N N 33 118.208 118.208 121.884 -3.676 18225 9680 1 28 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.473 -0.407 18225 9681 1 28 . 1 1 33 33 ALA C C 33 178.814 178.814 178.868 -0.054 18225 9682 1 28 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.830 2.859 18225 9683 1 28 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.995 -1.616 18225 9684 1 28 . 1 1 33 33 ALA H H 33 7.613 7.613 7.552 0.061 18225 9685 1 28 . 1 1 34 34 ILE N N 34 117.730 117.730 118.744 -1.014 18225 9686 1 28 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.861 -0.196 18225 9687 1 28 . 1 1 34 34 ILE C C 34 177.826 177.826 177.054 0.772 18225 9688 1 28 . 1 1 34 34 ILE CA C 34 65.154 65.154 63.553 1.601 18225 9689 1 28 . 1 1 34 34 ILE CB C 34 37.283 37.283 36.925 0.358 18225 9690 1 28 . 1 1 34 34 ILE H H 34 8.259 8.259 7.527 0.732 18225 9691 1 28 . 1 1 35 35 TYR N N 35 118.693 118.693 119.792 -1.099 18225 9692 1 28 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.271 -0.178 18225 9693 1 28 . 1 1 35 35 TYR C C 35 177.885 177.885 176.831 1.054 18225 9694 1 28 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.559 1.079 18225 9695 1 28 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.070 -1.146 18225 9696 1 28 . 1 1 35 35 TYR H H 35 8.347 8.347 7.648 0.699 18225 9697 1 28 . 1 1 36 36 MET N N 36 117.356 117.356 118.638 -1.282 18225 9698 1 28 . 1 1 36 36 MET HA H 36 4.220 4.220 4.391 -0.171 18225 9699 1 28 . 1 1 36 36 MET C C 36 177.903 177.903 177.786 0.117 18225 9700 1 28 . 1 1 36 36 MET CA C 36 58.653 58.653 58.103 0.550 18225 9701 1 28 . 1 1 36 36 MET CB C 36 32.172 32.172 33.463 -1.291 18225 9702 1 28 . 1 1 36 36 MET H H 36 8.252 8.252 7.706 0.546 18225 9703 1 28 . 1 1 37 37 LEU N N 37 119.978 119.978 120.280 -0.302 18225 9704 1 28 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.189 -0.161 18225 9705 1 28 . 1 1 37 37 LEU C C 37 178.393 178.393 176.579 1.814 18225 9706 1 28 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.053 2.589 18225 9707 1 28 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.198 1.791 18225 9708 1 28 . 1 1 37 37 LEU H H 37 8.301 8.301 8.533 -0.232 18225 9709 1 28 . 1 1 38 38 VAL N N 38 117.991 117.991 116.840 1.151 18225 9710 1 28 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.152 -0.650 18225 9711 1 28 . 1 1 38 38 VAL C C 38 177.962 177.962 176.065 1.897 18225 9712 1 28 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.730 3.425 18225 9713 1 28 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.380 -2.965 18225 9714 1 28 . 1 1 38 38 VAL H H 38 8.414 8.414 8.262 0.152 18225 9715 1 28 . 1 1 39 39 PHE N N 39 119.830 119.830 122.731 -2.901 18225 9716 1 28 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.305 -0.127 18225 9717 1 28 . 1 1 39 39 PHE C C 39 178.233 178.233 175.895 2.338 18225 9718 1 28 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.596 -0.094 18225 9719 1 28 . 1 1 39 39 PHE CB C 39 39.058 39.058 40.998 -1.940 18225 9720 1 28 . 1 1 39 39 PHE H H 39 8.337 8.337 7.780 0.557 18225 9721 1 28 . 1 1 40 40 LEU N N 40 119.985 119.985 112.557 7.428 18225 9722 1 28 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.397 -0.431 18225 9723 1 28 . 1 1 40 40 LEU C C 40 179.279 179.279 176.378 2.901 18225 9724 1 28 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.649 2.223 18225 9725 1 28 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.335 0.052 18225 9726 1 28 . 1 1 40 40 LEU H H 40 8.603 8.603 7.368 1.235 18225 9727 1 28 . 1 1 41 41 LEU N N 41 118.649 118.649 117.141 1.508 18225 9728 1 28 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.452 -0.408 18225 9729 1 28 . 1 1 41 41 LEU C C 41 178.670 178.670 176.593 2.077 18225 9730 1 28 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.827 2.856 18225 9731 1 28 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.733 -0.802 18225 9732 1 28 . 1 1 41 41 LEU H H 41 8.486 8.486 7.691 0.795 18225 9733 1 28 . 1 1 42 42 GLY N N 42 105.262 105.262 105.694 -0.432 18225 9734 1 28 . 1 1 42 42 GLY C C 42 174.814 174.814 174.523 0.291 18225 9735 1 28 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.838 0.567 18225 9736 1 28 . 1 1 42 42 GLY H H 42 8.289 8.289 7.708 0.581 18225 9737 1 28 . 1 1 43 43 THR N N 43 111.955 111.955 114.957 -3.002 18225 9738 1 28 . 1 1 43 43 THR HA H 43 4.243 4.243 4.332 -0.089 18225 9739 1 28 . 1 1 43 43 THR C C 43 175.888 175.888 175.077 0.811 18225 9740 1 28 . 1 1 43 43 THR CA C 43 63.505 63.505 63.209 0.297 18225 9741 1 28 . 1 1 43 43 THR CB C 43 69.598 69.598 69.612 -0.014 18225 9742 1 28 . 1 1 43 43 THR H H 43 7.891 7.891 7.511 0.380 18225 9743 1 28 . 1 1 44 44 THR N N 44 111.997 111.997 117.688 -5.691 18225 9744 1 28 . 1 1 44 44 THR HA H 44 4.320 4.320 4.055 0.265 18225 9745 1 28 . 1 1 44 44 THR C C 44 175.543 175.543 175.662 -0.119 18225 9746 1 28 . 1 1 44 44 THR CA C 44 63.009 63.009 65.375 -2.366 18225 9747 1 28 . 1 1 44 44 THR CB C 44 69.881 69.881 68.581 1.300 18225 9748 1 28 . 1 1 44 44 THR H H 44 7.740 7.740 7.332 0.408 18225 9749 1 28 . 1 1 45 45 GLY N N 45 109.564 109.564 107.970 1.594 18225 9750 1 28 . 1 1 45 45 GLY C C 45 174.928 174.928 174.957 -0.029 18225 9751 1 28 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.650 -0.230 18225 9752 1 28 . 1 1 45 45 GLY H H 45 8.243 8.243 8.454 -0.211 18225 9753 1 28 . 1 1 46 46 ASN N N 46 117.851 117.851 116.269 1.582 18225 9754 1 28 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.780 -0.063 18225 9755 1 28 . 1 1 46 46 ASN C C 46 176.127 176.127 176.047 0.080 18225 9756 1 28 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.890 1.724 18225 9757 1 28 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.672 -0.360 18225 9758 1 28 . 1 1 46 46 ASN H H 46 8.170 8.170 7.560 0.610 18225 9759 1 28 . 1 1 47 47 GLY N N 47 108.287 108.287 108.848 -0.561 18225 9760 1 28 . 1 1 47 47 GLY C C 47 174.612 174.612 174.858 -0.246 18225 9761 1 28 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.718 1.523 18225 9762 1 28 . 1 1 47 47 GLY H H 47 8.663 8.663 8.153 0.510 18225 9763 1 28 . 1 1 48 48 LEU N N 48 120.479 120.479 119.039 1.440 18225 9764 1 28 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.718 -0.451 18225 9765 1 28 . 1 1 48 48 LEU C C 48 179.407 179.407 176.878 2.529 18225 9766 1 28 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.344 2.248 18225 9767 1 28 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.813 -0.075 18225 9768 1 28 . 1 1 48 48 LEU H H 48 8.149 8.149 7.731 0.418 18225 9769 1 28 . 1 1 49 49 VAL N N 49 119.968 119.968 118.473 1.495 18225 9770 1 28 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.960 -0.144 18225 9771 1 28 . 1 1 49 49 VAL C C 49 177.444 177.444 176.653 0.791 18225 9772 1 28 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.132 0.812 18225 9773 1 28 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.303 -0.625 18225 9774 1 28 . 1 1 49 49 VAL H H 49 7.969 7.969 7.493 0.476 18225 9775 1 28 . 1 1 50 50 LEU N N 50 119.329 119.329 114.387 4.942 18225 9776 1 28 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.803 -0.791 18225 9777 1 28 . 1 1 50 50 LEU C C 50 178.085 178.085 177.852 0.233 18225 9778 1 28 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.786 2.131 18225 9779 1 28 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.926 -0.220 18225 9780 1 28 . 1 1 50 50 LEU H H 50 7.814 7.814 7.468 0.346 18225 9781 1 28 . 1 1 51 51 TRP N N 51 118.186 118.186 123.558 -5.372 18225 9782 1 28 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.334 0.155 18225 9783 1 28 . 1 1 51 51 TRP C C 51 177.377 177.377 177.794 -0.417 18225 9784 1 28 . 1 1 51 51 TRP CA C 51 60.058 60.058 61.897 -1.839 18225 9785 1 28 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.105 0.676 18225 9786 1 28 . 1 1 51 51 TRP H H 51 8.125 8.125 7.802 0.323 18225 9787 1 28 . 1 1 52 52 THR N N 52 113.180 113.180 112.718 0.462 18225 9788 1 28 . 1 1 52 52 THR HA H 52 3.787 3.787 2.882 0.905 18225 9789 1 28 . 1 1 52 52 THR C C 52 176.309 176.309 176.270 0.039 18225 9790 1 28 . 1 1 52 52 THR CA C 52 66.473 66.473 65.228 1.245 18225 9791 1 28 . 1 1 52 52 THR CB C 52 68.865 68.865 67.836 1.029 18225 9792 1 28 . 1 1 52 52 THR H H 52 8.079 8.079 8.193 -0.114 18225 9793 1 28 . 1 1 53 53 VAL N N 53 119.953 119.953 121.271 -1.318 18225 9794 1 28 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.535 0.113 18225 9795 1 28 . 1 1 53 53 VAL C C 53 177.252 177.252 177.599 -0.347 18225 9796 1 28 . 1 1 53 53 VAL CA C 53 66.086 66.086 66.943 -0.857 18225 9797 1 28 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.513 0.191 18225 9798 1 28 . 1 1 53 53 VAL H H 53 7.913 7.913 7.583 0.330 18225 9799 1 28 . 1 1 54 54 PHE N N 54 118.204 118.204 118.602 -0.398 18225 9800 1 28 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.094 0.153 18225 9801 1 28 . 1 1 54 54 PHE C C 54 177.144 177.144 176.899 0.245 18225 9802 1 28 . 1 1 54 54 PHE CA C 54 60.454 60.454 61.538 -1.084 18225 9803 1 28 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.963 0.153 18225 9804 1 28 . 1 1 54 54 PHE H H 54 8.030 8.030 8.359 -0.329 18225 9805 1 28 . 1 1 55 55 ARG N N 55 117.725 117.725 118.584 -0.859 18225 9806 1 28 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.070 -0.186 18225 9807 1 28 . 1 1 55 55 ARG C C 55 177.443 177.443 177.285 0.158 18225 9808 1 28 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.958 -0.404 18225 9809 1 28 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.376 -0.569 18225 9810 1 28 . 1 1 55 55 ARG H H 55 8.034 8.034 7.651 0.383 18225 9811 1 28 . 1 1 56 56 LYS N N 56 118.622 118.622 117.374 1.248 18225 9812 1 28 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.018 0.146 18225 9813 1 28 . 1 1 56 56 LYS C C 56 177.418 177.418 179.096 -1.678 18225 9814 1 28 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.256 -0.739 18225 9815 1 28 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.193 0.615 18225 9816 1 28 . 1 1 56 56 LYS H H 56 7.804 7.804 8.139 -0.335 18225 9817 1 28 . 1 1 57 57 LYS N N 57 118.937 118.937 120.116 -1.179 18225 9818 1 28 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.160 0.098 18225 9819 1 28 . 1 1 57 57 LYS C C 57 177.029 177.029 176.821 0.208 18225 9820 1 28 . 1 1 57 57 LYS CA C 57 56.610 56.610 56.092 0.518 18225 9821 1 28 . 1 1 57 57 LYS CB C 57 32.878 32.878 30.746 2.132 18225 9822 1 28 . 1 1 57 57 LYS H H 57 7.974 7.974 8.244 -0.270 18225 9823 1 28 . 1 1 58 58 GLY N N 58 107.785 107.785 109.375 -1.590 18225 9824 1 28 . 1 1 58 58 GLY C C 58 173.543 173.543 174.579 -1.036 18225 9825 1 28 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.022 0.452 18225 9826 1 28 . 1 1 58 58 GLY H H 58 8.136 8.136 8.498 -0.362 18225 9827 1 28 . 1 1 59 59 HIS N N 59 117.024 117.024 118.989 -1.965 18225 9828 1 28 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.705 -0.083 18225 9829 1 28 . 1 1 59 59 HIS C C 59 174.183 174.183 174.734 -0.551 18225 9830 1 28 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.520 -1.239 18225 9831 1 28 . 1 1 59 59 HIS CB C 59 29.081 29.081 31.190 -2.109 18225 9832 1 28 . 1 1 59 59 HIS H H 59 8.163 8.163 7.863 0.300 18225 9833 1 28 . 1 1 60 60 HIS N N 60 118.841 118.841 116.085 2.756 18225 9834 1 28 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.761 -0.131 18225 9835 1 28 . 1 1 60 60 HIS C C 60 174.157 174.157 175.116 -0.959 18225 9836 1 28 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.032 -0.692 18225 9837 1 28 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.628 -2.524 18225 9838 1 28 . 1 1 60 60 HIS H H 60 8.507 8.507 8.119 0.388 18225 9839 1 28 . 1 1 61 61 HIS N N 61 119.636 119.636 123.700 -4.064 18225 9840 1 28 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.409 0.245 18225 9841 1 28 . 1 1 61 61 HIS C C 61 174.095 174.095 174.978 -0.883 18225 9842 1 28 . 1 1 61 61 HIS CA C 61 55.329 55.329 57.668 -2.339 18225 9843 1 28 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.442 -1.208 18225 9844 1 28 . 1 1 61 61 HIS H H 61 8.613 8.613 8.785 -0.172 18225 9845 1 28 . 1 1 62 62 HIS N N 62 120.286 120.286 117.224 3.062 18225 9846 1 28 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.628 0.032 18225 9847 1 28 . 1 1 62 62 HIS C C 62 173.928 173.928 173.626 0.302 18225 9848 1 28 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.896 -1.540 18225 9849 1 28 . 1 1 62 62 HIS CB C 62 29.329 29.329 28.936 0.393 18225 9850 1 28 . 1 1 62 62 HIS H H 62 8.680 8.680 8.138 0.542 18225 9851 1 28 . 1 1 63 63 HIS N N 63 120.408 120.408 124.311 -3.903 18225 9852 1 28 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.275 0.374 18225 9853 1 28 . 1 1 63 63 HIS C C 63 173.437 173.437 173.975 -0.538 18225 9854 1 28 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.103 -0.539 18225 9855 1 28 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.015 0.468 18225 9856 1 28 . 1 1 63 63 HIS H H 63 8.541 8.541 8.448 0.093 18225 9857 1 29 . 1 1 2 2 GLU N N 2 123.432 123.432 122.632 0.800 18225 9858 1 29 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.485 -0.076 18225 9859 1 29 . 1 1 2 2 GLU C C 2 175.510 175.510 176.218 -0.708 18225 9860 1 29 . 1 1 2 2 GLU CA C 2 56.216 56.216 55.771 0.445 18225 9861 1 29 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.333 0.205 18225 9862 1 29 . 1 1 2 2 GLU H H 2 8.824 8.824 8.299 0.525 18225 9863 1 29 . 1 1 3 3 GLU N N 3 121.813 121.813 122.435 -0.622 18225 9864 1 29 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.154 0.224 18225 9865 1 29 . 1 1 3 3 GLU C C 3 176.299 176.299 177.260 -0.961 18225 9866 1 29 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.441 -1.149 18225 9867 1 29 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.846 -0.394 18225 9868 1 29 . 1 1 3 3 GLU H H 3 8.546 8.546 7.984 0.562 18225 9869 1 29 . 1 1 4 4 GLY N N 4 109.619 109.619 108.270 1.349 18225 9870 1 29 . 1 1 4 4 GLY C C 4 174.449 174.449 173.836 0.613 18225 9871 1 29 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.023 0.507 18225 9872 1 29 . 1 1 4 4 GLY H H 4 8.463 8.463 8.650 -0.187 18225 9873 1 29 . 1 1 5 5 GLY N N 5 108.241 108.241 109.695 -1.454 18225 9874 1 29 . 1 1 5 5 GLY C C 5 173.965 173.965 175.575 -1.610 18225 9875 1 29 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.929 0.523 18225 9876 1 29 . 1 1 5 5 GLY H H 5 8.220 8.220 7.997 0.223 18225 9877 1 29 . 1 1 6 6 ASP N N 6 119.184 119.184 122.915 -3.731 18225 9878 1 29 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.440 0.158 18225 9879 1 29 . 1 1 6 6 ASP C C 6 175.801 175.801 176.581 -0.780 18225 9880 1 29 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.759 -1.847 18225 9881 1 29 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.986 -1.651 18225 9882 1 29 . 1 1 6 6 ASP H H 6 8.329 8.329 8.654 -0.325 18225 9883 1 29 . 1 1 7 7 PHE N N 7 119.589 119.589 110.862 8.727 18225 9884 1 29 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.662 -0.182 18225 9885 1 29 . 1 1 7 7 PHE C C 7 175.881 175.881 174.477 1.404 18225 9886 1 29 . 1 1 7 7 PHE CA C 7 58.821 58.821 56.099 2.723 18225 9887 1 29 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.164 0.918 18225 9888 1 29 . 1 1 7 7 PHE H H 7 8.342 8.342 6.820 1.522 18225 9889 1 29 . 1 1 8 8 ASP N N 8 118.430 118.430 124.427 -5.997 18225 9890 1 29 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.312 0.144 18225 9891 1 29 . 1 1 8 8 ASP C C 8 175.642 175.642 175.621 0.021 18225 9892 1 29 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.538 -0.935 18225 9893 1 29 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.413 -2.829 18225 9894 1 29 . 1 1 8 8 ASP H H 8 8.223 8.223 7.585 0.638 18225 9895 1 29 . 1 1 9 9 ASN N N 9 117.097 117.097 122.919 -5.822 18225 9896 1 29 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.080 0.479 18225 9897 1 29 . 1 1 9 9 ASN C C 9 175.264 175.264 174.944 0.320 18225 9898 1 29 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.617 1.227 18225 9899 1 29 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.184 0.531 18225 9900 1 29 . 1 1 9 9 ASN H H 9 8.069 8.069 8.500 -0.431 18225 9901 1 29 . 1 1 10 10 TYR N N 10 119.007 119.007 117.191 1.816 18225 9902 1 29 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.991 0.358 18225 9903 1 29 . 1 1 10 10 TYR C C 10 175.387 175.387 176.943 -1.556 18225 9904 1 29 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.525 -1.331 18225 9905 1 29 . 1 1 10 10 TYR CB C 10 38.828 38.828 36.615 2.213 18225 9906 1 29 . 1 1 10 10 TYR H H 10 7.901 7.901 7.887 0.014 18225 9907 1 29 . 1 1 11 11 TYR N N 11 117.992 117.992 117.671 0.321 18225 9908 1 29 . 1 1 11 11 TYR HA H 11 4.443 4.443 3.996 0.447 18225 9909 1 29 . 1 1 11 11 TYR C C 11 175.765 175.765 177.933 -2.168 18225 9910 1 29 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.902 -2.530 18225 9911 1 29 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.076 1.718 18225 9912 1 29 . 1 1 11 11 TYR H H 11 7.885 7.885 9.043 -1.158 18225 9913 1 29 . 1 1 12 12 GLY N N 12 108.601 108.601 107.126 1.475 18225 9914 1 29 . 1 1 12 12 GLY C C 12 173.934 173.934 175.538 -1.604 18225 9915 1 29 . 1 1 12 12 GLY CA C 12 45.489 45.489 46.580 -1.091 18225 9916 1 29 . 1 1 12 12 GLY H H 12 7.861 7.861 8.637 -0.776 18225 9917 1 29 . 1 1 13 13 ALA N N 13 122.926 122.926 124.440 -1.514 18225 9918 1 29 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.006 0.273 18225 9919 1 29 . 1 1 13 13 ALA C C 13 177.457 177.457 179.373 -1.916 18225 9920 1 29 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.573 -1.791 18225 9921 1 29 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.527 0.920 18225 9922 1 29 . 1 1 13 13 ALA H H 13 7.985 7.985 8.515 -0.530 18225 9923 1 29 . 1 1 14 14 ASP N N 14 117.380 117.380 118.372 -0.992 18225 9924 1 29 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.304 0.336 18225 9925 1 29 . 1 1 14 14 ASP C C 14 175.428 175.428 178.870 -3.442 18225 9926 1 29 . 1 1 14 14 ASP CA C 14 53.672 53.672 57.278 -3.606 18225 9927 1 29 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.383 -1.018 18225 9928 1 29 . 1 1 14 14 ASP H H 14 8.330 8.330 7.951 0.379 18225 9929 1 29 . 1 1 15 15 ASN N N 15 118.465 118.465 117.790 0.675 18225 9930 1 29 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.589 0.050 18225 9931 1 29 . 1 1 15 15 ASN C C 15 175.467 175.467 176.061 -0.594 18225 9932 1 29 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.322 -1.665 18225 9933 1 29 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.171 -0.203 18225 9934 1 29 . 1 1 15 15 ASN H H 15 8.207 8.207 8.293 -0.086 18225 9935 1 29 . 1 1 16 16 GLN N N 16 119.741 119.741 118.456 1.285 18225 9936 1 29 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.455 -0.140 18225 9937 1 29 . 1 1 16 16 GLN C C 16 176.350 176.350 174.575 1.775 18225 9938 1 29 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.635 1.005 18225 9939 1 29 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.388 0.708 18225 9940 1 29 . 1 1 16 16 GLN H H 16 8.292 8.292 7.867 0.425 18225 9941 1 29 . 1 1 17 17 SER N N 17 115.772 115.772 115.587 0.185 18225 9942 1 29 . 1 1 17 17 SER HA H 17 4.390 4.390 4.553 -0.163 18225 9943 1 29 . 1 1 17 17 SER C C 17 174.799 174.799 173.205 1.594 18225 9944 1 29 . 1 1 17 17 SER CA C 17 59.165 59.165 57.154 2.011 18225 9945 1 29 . 1 1 17 17 SER CB C 17 63.651 63.651 65.808 -2.157 18225 9946 1 29 . 1 1 17 17 SER H H 17 8.224 8.224 7.433 0.791 18225 9947 1 29 . 1 1 18 18 GLU N N 18 121.211 121.211 120.764 0.447 18225 9948 1 29 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.262 0.056 18225 9949 1 29 . 1 1 18 18 GLU C C 18 176.201 176.201 175.851 0.350 18225 9950 1 29 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.481 -0.756 18225 9951 1 29 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.792 0.173 18225 9952 1 29 . 1 1 18 18 GLU H H 18 8.285 8.285 8.657 -0.372 18225 9953 1 29 . 1 1 19 19 CYS N N 19 118.653 118.653 123.589 -4.936 18225 9954 1 29 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.554 -0.131 18225 9955 1 29 . 1 1 19 19 CYS C C 19 174.698 174.698 174.902 -0.204 18225 9956 1 29 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.491 -0.416 18225 9957 1 29 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.621 -1.771 18225 9958 1 29 . 1 1 19 19 CYS H H 19 8.202 8.202 8.765 -0.563 18225 9959 1 29 . 1 1 20 20 GLU N N 20 121.851 121.851 119.827 2.024 18225 9960 1 29 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.470 -0.205 18225 9961 1 29 . 1 1 20 20 GLU C C 20 176.100 176.100 174.479 1.621 18225 9962 1 29 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.152 0.670 18225 9963 1 29 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.004 -1.028 18225 9964 1 29 . 1 1 20 20 GLU H H 20 8.349 8.349 8.696 -0.347 18225 9965 1 29 . 1 1 21 21 TYR N N 21 118.491 118.491 117.720 0.771 18225 9966 1 29 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.189 -0.771 18225 9967 1 29 . 1 1 21 21 TYR C C 21 175.881 175.881 175.157 0.724 18225 9968 1 29 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.406 0.325 18225 9969 1 29 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.435 -0.809 18225 9970 1 29 . 1 1 21 21 TYR H H 21 7.974 7.974 8.243 -0.269 18225 9971 1 29 . 1 1 22 22 THR N N 22 112.161 112.161 111.698 0.463 18225 9972 1 29 . 1 1 22 22 THR HA H 22 4.105 4.105 4.476 -0.371 18225 9973 1 29 . 1 1 22 22 THR C C 22 174.666 174.666 175.063 -0.397 18225 9974 1 29 . 1 1 22 22 THR CA C 22 63.190 63.190 63.056 0.134 18225 9975 1 29 . 1 1 22 22 THR CB C 22 69.306 69.306 69.977 -0.671 18225 9976 1 29 . 1 1 22 22 THR H H 22 7.747 7.747 7.902 -0.155 18225 9977 1 29 . 1 1 23 23 ASP N N 23 120.529 120.529 123.484 -2.955 18225 9978 1 29 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.672 -0.018 18225 9979 1 29 . 1 1 23 23 ASP C C 23 176.119 176.119 176.233 -0.114 18225 9980 1 29 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.423 -1.520 18225 9981 1 29 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.652 -1.514 18225 9982 1 29 . 1 1 23 23 ASP H H 23 8.114 8.114 8.794 -0.680 18225 9983 1 29 . 1 1 24 24 TRP N N 24 121.466 121.466 117.081 4.385 18225 9984 1 29 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.761 -0.285 18225 9985 1 29 . 1 1 24 24 TRP C C 24 176.578 176.578 175.071 1.507 18225 9986 1 29 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.029 3.282 18225 9987 1 29 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.929 0.257 18225 9988 1 29 . 1 1 24 24 TRP H H 24 8.034 8.034 7.476 0.558 18225 9989 1 29 . 1 1 25 25 LYS N N 25 119.430 119.430 123.310 -3.880 18225 9990 1 29 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.522 0.523 18225 9991 1 29 . 1 1 25 25 LYS C C 25 176.798 176.798 176.392 0.406 18225 9992 1 29 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.922 0.839 18225 9993 1 29 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.855 -0.446 18225 9994 1 29 . 1 1 25 25 LYS H H 25 7.880 7.880 7.456 0.424 18225 9995 1 29 . 1 1 26 26 SER N N 26 113.780 113.780 120.711 -6.931 18225 9996 1 29 . 1 1 26 26 SER HA H 26 4.461 4.461 4.413 0.048 18225 9997 1 29 . 1 1 26 26 SER C C 26 174.957 174.957 174.096 0.861 18225 9998 1 29 . 1 1 26 26 SER CA C 26 58.760 58.760 57.451 1.309 18225 9999 1 29 . 1 1 26 26 SER CB C 26 63.889 63.889 63.029 0.860 18225 10000 1 29 . 1 1 26 26 SER H H 26 7.893 7.893 7.743 0.150 18225 10001 1 29 . 1 1 27 27 SER N N 27 116.730 116.730 122.502 -5.772 18225 10002 1 29 . 1 1 27 27 SER HA H 27 4.328 4.328 4.256 0.072 18225 10003 1 29 . 1 1 27 27 SER C C 27 175.563 175.563 176.177 -0.614 18225 10004 1 29 . 1 1 27 27 SER CA C 27 59.856 59.856 59.548 0.308 18225 10005 1 29 . 1 1 27 27 SER CB C 27 63.819 63.819 63.071 0.748 18225 10006 1 29 . 1 1 27 27 SER H H 27 8.137 8.137 8.239 -0.102 18225 10007 1 29 . 1 1 28 28 GLY N N 28 110.734 110.734 110.174 0.560 18225 10008 1 29 . 1 1 28 28 GLY C C 28 174.314 174.314 174.331 -0.017 18225 10009 1 29 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.082 1.043 18225 10010 1 29 . 1 1 28 28 GLY H H 28 8.477 8.477 8.470 0.008 18225 10011 1 29 . 1 1 29 29 ALA N N 29 121.690 121.690 119.604 2.086 18225 10012 1 29 . 1 1 29 29 ALA HA H 29 4.289 4.289 3.997 0.292 18225 10013 1 29 . 1 1 29 29 ALA C C 29 177.330 177.330 176.362 0.968 18225 10014 1 29 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.580 0.594 18225 10015 1 29 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.758 2.127 18225 10016 1 29 . 1 1 29 29 ALA H H 29 8.189 8.189 7.937 0.252 18225 10017 1 29 . 1 1 30 30 LEU N N 30 117.292 117.292 113.170 4.122 18225 10018 1 29 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.563 -0.484 18225 10019 1 29 . 1 1 30 30 LEU C C 30 177.377 177.377 176.736 0.641 18225 10020 1 29 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.719 3.515 18225 10021 1 29 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.220 0.194 18225 10022 1 29 . 1 1 30 30 LEU H H 30 7.873 7.873 8.046 -0.173 18225 10023 1 29 . 1 1 31 31 ILE N N 31 116.517 116.517 120.714 -4.197 18225 10024 1 29 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.178 -0.295 18225 10025 1 29 . 1 1 31 31 ILE CA C 31 66.266 66.266 64.957 1.308 18225 10026 1 29 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.477 -0.721 18225 10027 1 29 . 1 1 31 31 ILE H H 31 8.262 8.262 8.229 0.033 18225 10028 1 29 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.576 -0.364 18225 10029 1 29 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.709 2.284 18225 10030 1 29 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.926 0.066 18225 10031 1 29 . 1 1 33 33 ALA N N 33 118.208 118.208 119.502 -1.294 18225 10032 1 29 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.408 -0.342 18225 10033 1 29 . 1 1 33 33 ALA C C 33 178.814 178.814 178.384 0.430 18225 10034 1 29 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.323 2.366 18225 10035 1 29 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.203 -1.824 18225 10036 1 29 . 1 1 33 33 ALA H H 33 7.613 7.613 7.388 0.225 18225 10037 1 29 . 1 1 34 34 ILE N N 34 117.730 117.730 119.891 -2.161 18225 10038 1 29 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.991 -0.326 18225 10039 1 29 . 1 1 34 34 ILE C C 34 177.826 177.826 176.756 1.070 18225 10040 1 29 . 1 1 34 34 ILE CA C 34 65.154 65.154 62.724 2.430 18225 10041 1 29 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.683 -1.400 18225 10042 1 29 . 1 1 34 34 ILE H H 34 8.259 8.259 7.713 0.546 18225 10043 1 29 . 1 1 35 35 TYR N N 35 118.693 118.693 118.793 -0.100 18225 10044 1 29 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.226 -0.133 18225 10045 1 29 . 1 1 35 35 TYR C C 35 177.885 177.885 177.204 0.681 18225 10046 1 29 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.053 0.585 18225 10047 1 29 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.969 -1.045 18225 10048 1 29 . 1 1 35 35 TYR H H 35 8.347 8.347 7.719 0.628 18225 10049 1 29 . 1 1 36 36 MET N N 36 117.356 117.356 118.408 -1.052 18225 10050 1 29 . 1 1 36 36 MET HA H 36 4.220 4.220 4.439 -0.219 18225 10051 1 29 . 1 1 36 36 MET C C 36 177.903 177.903 177.093 0.810 18225 10052 1 29 . 1 1 36 36 MET CA C 36 58.653 58.653 58.165 0.488 18225 10053 1 29 . 1 1 36 36 MET CB C 36 32.172 32.172 33.256 -1.084 18225 10054 1 29 . 1 1 36 36 MET H H 36 8.252 8.252 7.998 0.254 18225 10055 1 29 . 1 1 37 37 LEU N N 37 119.978 119.978 120.459 -0.481 18225 10056 1 29 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.192 -0.164 18225 10057 1 29 . 1 1 37 37 LEU C C 37 178.393 178.393 176.438 1.955 18225 10058 1 29 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.813 2.829 18225 10059 1 29 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.029 1.960 18225 10060 1 29 . 1 1 37 37 LEU H H 37 8.301 8.301 7.949 0.352 18225 10061 1 29 . 1 1 38 38 VAL N N 38 117.991 117.991 117.938 0.053 18225 10062 1 29 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.143 -0.641 18225 10063 1 29 . 1 1 38 38 VAL C C 38 177.962 177.962 176.606 1.356 18225 10064 1 29 . 1 1 38 38 VAL CA C 38 67.155 67.155 64.159 2.996 18225 10065 1 29 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.236 -2.821 18225 10066 1 29 . 1 1 38 38 VAL H H 38 8.414 8.414 8.209 0.205 18225 10067 1 29 . 1 1 39 39 PHE N N 39 119.830 119.830 122.141 -2.311 18225 10068 1 29 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.222 -0.044 18225 10069 1 29 . 1 1 39 39 PHE C C 39 178.233 178.233 175.990 2.243 18225 10070 1 29 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.627 0.875 18225 10071 1 29 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.651 -0.593 18225 10072 1 29 . 1 1 39 39 PHE H H 39 8.337 8.337 7.580 0.757 18225 10073 1 29 . 1 1 40 40 LEU N N 40 119.985 119.985 110.921 9.064 18225 10074 1 29 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.408 -0.442 18225 10075 1 29 . 1 1 40 40 LEU C C 40 179.279 179.279 175.195 4.084 18225 10076 1 29 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.694 3.178 18225 10077 1 29 . 1 1 40 40 LEU CB C 40 42.387 42.387 43.519 -1.132 18225 10078 1 29 . 1 1 40 40 LEU H H 40 8.603 8.603 7.245 1.358 18225 10079 1 29 . 1 1 41 41 LEU N N 41 118.649 118.649 120.122 -1.473 18225 10080 1 29 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.550 -0.506 18225 10081 1 29 . 1 1 41 41 LEU C C 41 178.670 178.670 176.185 2.485 18225 10082 1 29 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.044 2.639 18225 10083 1 29 . 1 1 41 41 LEU CB C 41 41.931 41.931 43.559 -1.628 18225 10084 1 29 . 1 1 41 41 LEU H H 41 8.486 8.486 7.361 1.125 18225 10085 1 29 . 1 1 42 42 GLY N N 42 105.262 105.262 106.400 -1.138 18225 10086 1 29 . 1 1 42 42 GLY C C 42 174.814 174.814 173.727 1.087 18225 10087 1 29 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.590 0.815 18225 10088 1 29 . 1 1 42 42 GLY H H 42 8.289 8.289 7.759 0.530 18225 10089 1 29 . 1 1 43 43 THR N N 43 111.955 111.955 113.030 -1.075 18225 10090 1 29 . 1 1 43 43 THR HA H 43 4.243 4.243 4.329 -0.086 18225 10091 1 29 . 1 1 43 43 THR C C 43 175.888 175.888 175.166 0.722 18225 10092 1 29 . 1 1 43 43 THR CA C 43 63.505 63.505 63.384 0.121 18225 10093 1 29 . 1 1 43 43 THR CB C 43 69.598 69.598 69.765 -0.167 18225 10094 1 29 . 1 1 43 43 THR H H 43 7.891 7.891 7.601 0.290 18225 10095 1 29 . 1 1 44 44 THR N N 44 111.997 111.997 117.901 -5.904 18225 10096 1 29 . 1 1 44 44 THR HA H 44 4.320 4.320 4.176 0.144 18225 10097 1 29 . 1 1 44 44 THR C C 44 175.543 175.543 176.652 -1.109 18225 10098 1 29 . 1 1 44 44 THR CA C 44 63.009 63.009 65.036 -2.027 18225 10099 1 29 . 1 1 44 44 THR CB C 44 69.881 69.881 68.422 1.459 18225 10100 1 29 . 1 1 44 44 THR H H 44 7.740 7.740 8.212 -0.472 18225 10101 1 29 . 1 1 45 45 GLY N N 45 109.564 109.564 110.235 -0.671 18225 10102 1 29 . 1 1 45 45 GLY C C 45 174.928 174.928 174.552 0.376 18225 10103 1 29 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.856 -0.436 18225 10104 1 29 . 1 1 45 45 GLY H H 45 8.243 8.243 8.804 -0.561 18225 10105 1 29 . 1 1 46 46 ASN N N 46 117.851 117.851 116.446 1.405 18225 10106 1 29 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.783 -0.066 18225 10107 1 29 . 1 1 46 46 ASN C C 46 176.127 176.127 175.223 0.904 18225 10108 1 29 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.474 2.140 18225 10109 1 29 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.389 -0.078 18225 10110 1 29 . 1 1 46 46 ASN H H 46 8.170 8.170 7.490 0.680 18225 10111 1 29 . 1 1 47 47 GLY N N 47 108.287 108.287 108.412 -0.125 18225 10112 1 29 . 1 1 47 47 GLY C C 47 174.612 174.612 174.662 -0.050 18225 10113 1 29 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.096 2.145 18225 10114 1 29 . 1 1 47 47 GLY H H 47 8.663 8.663 8.301 0.362 18225 10115 1 29 . 1 1 48 48 LEU N N 48 120.479 120.479 119.730 0.749 18225 10116 1 29 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.763 -0.495 18225 10117 1 29 . 1 1 48 48 LEU C C 48 179.407 179.407 177.461 1.946 18225 10118 1 29 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.706 1.886 18225 10119 1 29 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.383 0.355 18225 10120 1 29 . 1 1 48 48 LEU H H 48 8.149 8.149 7.959 0.190 18225 10121 1 29 . 1 1 49 49 VAL N N 49 119.968 119.968 118.158 1.810 18225 10122 1 29 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.075 -0.259 18225 10123 1 29 . 1 1 49 49 VAL C C 49 177.444 177.444 177.135 0.309 18225 10124 1 29 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.386 0.557 18225 10125 1 29 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.628 -0.950 18225 10126 1 29 . 1 1 49 49 VAL H H 49 7.969 7.969 7.742 0.227 18225 10127 1 29 . 1 1 50 50 LEU N N 50 119.329 119.329 114.629 4.700 18225 10128 1 29 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.463 -0.451 18225 10129 1 29 . 1 1 50 50 LEU C C 50 178.085 178.085 177.412 0.673 18225 10130 1 29 . 1 1 50 50 LEU CA C 50 57.917 57.917 56.128 1.789 18225 10131 1 29 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.191 0.514 18225 10132 1 29 . 1 1 50 50 LEU H H 50 7.814 7.814 7.858 -0.044 18225 10133 1 29 . 1 1 51 51 TRP N N 51 118.186 118.186 122.273 -4.087 18225 10134 1 29 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.689 -0.200 18225 10135 1 29 . 1 1 51 51 TRP C C 51 177.377 177.377 177.440 -0.063 18225 10136 1 29 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.080 -0.022 18225 10137 1 29 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.870 -0.089 18225 10138 1 29 . 1 1 51 51 TRP H H 51 8.125 8.125 7.597 0.528 18225 10139 1 29 . 1 1 52 52 THR N N 52 113.180 113.180 113.030 0.150 18225 10140 1 29 . 1 1 52 52 THR HA H 52 3.787 3.787 2.925 0.862 18225 10141 1 29 . 1 1 52 52 THR C C 52 176.309 176.309 175.621 0.688 18225 10142 1 29 . 1 1 52 52 THR CA C 52 66.473 66.473 64.938 1.535 18225 10143 1 29 . 1 1 52 52 THR CB C 52 68.865 68.865 67.947 0.918 18225 10144 1 29 . 1 1 52 52 THR H H 52 8.079 8.079 7.794 0.285 18225 10145 1 29 . 1 1 53 53 VAL N N 53 119.953 119.953 120.365 -0.412 18225 10146 1 29 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.727 -0.079 18225 10147 1 29 . 1 1 53 53 VAL C C 53 177.252 177.252 177.363 -0.111 18225 10148 1 29 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.259 0.827 18225 10149 1 29 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.893 -0.189 18225 10150 1 29 . 1 1 53 53 VAL H H 53 7.913 7.913 7.527 0.386 18225 10151 1 29 . 1 1 54 54 PHE N N 54 118.204 118.204 121.454 -3.250 18225 10152 1 29 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.257 -0.010 18225 10153 1 29 . 1 1 54 54 PHE C C 54 177.144 177.144 175.935 1.209 18225 10154 1 29 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.669 -0.215 18225 10155 1 29 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.023 0.093 18225 10156 1 29 . 1 1 54 54 PHE H H 54 8.030 8.030 7.290 0.740 18225 10157 1 29 . 1 1 55 55 ARG N N 55 117.725 117.725 118.128 -0.403 18225 10158 1 29 . 1 1 55 55 ARG HA H 55 3.884 3.884 3.249 0.635 18225 10159 1 29 . 1 1 55 55 ARG C C 55 177.443 177.443 176.473 0.970 18225 10160 1 29 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.379 0.175 18225 10161 1 29 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.533 0.274 18225 10162 1 29 . 1 1 55 55 ARG H H 55 8.034 8.034 7.660 0.374 18225 10163 1 29 . 1 1 56 56 LYS N N 56 118.622 118.622 120.155 -1.533 18225 10164 1 29 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.202 -0.038 18225 10165 1 29 . 1 1 56 56 LYS C C 56 177.418 177.418 176.637 0.781 18225 10166 1 29 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.230 1.287 18225 10167 1 29 . 1 1 56 56 LYS CB C 56 32.808 32.808 33.080 -0.272 18225 10168 1 29 . 1 1 56 56 LYS H H 56 7.804 7.804 7.171 0.633 18225 10169 1 29 . 1 1 57 57 LYS N N 57 118.937 118.937 119.456 -0.519 18225 10170 1 29 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.922 0.336 18225 10171 1 29 . 1 1 57 57 LYS C C 57 177.029 177.029 176.003 1.026 18225 10172 1 29 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.181 -0.570 18225 10173 1 29 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.264 1.614 18225 10174 1 29 . 1 1 57 57 LYS H H 57 7.974 7.974 8.163 -0.189 18225 10175 1 29 . 1 1 58 58 GLY N N 58 107.785 107.785 105.963 1.822 18225 10176 1 29 . 1 1 58 58 GLY C C 58 173.543 173.543 173.685 -0.142 18225 10177 1 29 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.952 -0.479 18225 10178 1 29 . 1 1 58 58 GLY H H 58 8.136 8.136 8.348 -0.212 18225 10179 1 29 . 1 1 59 59 HIS N N 59 117.024 117.024 120.934 -3.910 18225 10180 1 29 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.715 -0.093 18225 10181 1 29 . 1 1 59 59 HIS C C 59 174.183 174.183 174.851 -0.668 18225 10182 1 29 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.350 -1.069 18225 10183 1 29 . 1 1 59 59 HIS CB C 59 29.081 29.081 31.777 -2.696 18225 10184 1 29 . 1 1 59 59 HIS H H 59 8.163 8.163 7.707 0.456 18225 10185 1 29 . 1 1 60 60 HIS N N 60 118.841 118.841 120.999 -2.158 18225 10186 1 29 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.609 0.021 18225 10187 1 29 . 1 1 60 60 HIS C C 60 174.157 174.157 173.320 0.837 18225 10188 1 29 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.926 -0.586 18225 10189 1 29 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.028 -0.924 18225 10190 1 29 . 1 1 60 60 HIS H H 60 8.507 8.507 8.482 0.025 18225 10191 1 29 . 1 1 61 61 HIS N N 61 119.636 119.636 120.847 -1.211 18225 10192 1 29 . 1 1 61 61 HIS HA H 61 4.654 4.654 3.983 0.671 18225 10193 1 29 . 1 1 61 61 HIS C C 61 174.095 174.095 175.105 -1.010 18225 10194 1 29 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.531 -1.202 18225 10195 1 29 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.601 -1.367 18225 10196 1 29 . 1 1 61 61 HIS H H 61 8.613 8.613 8.073 0.540 18225 10197 1 29 . 1 1 62 62 HIS N N 62 120.286 120.286 121.698 -1.412 18225 10198 1 29 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.400 0.260 18225 10199 1 29 . 1 1 62 62 HIS C C 62 173.928 173.928 175.393 -1.465 18225 10200 1 29 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.831 -1.474 18225 10201 1 29 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.421 -1.092 18225 10202 1 29 . 1 1 62 62 HIS H H 62 8.680 8.680 7.515 1.165 18225 10203 1 29 . 1 1 63 63 HIS N N 63 120.408 120.408 117.484 2.924 18225 10204 1 29 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.854 -0.205 18225 10205 1 29 . 1 1 63 63 HIS C C 63 173.437 173.437 175.025 -1.588 18225 10206 1 29 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.004 -0.440 18225 10207 1 29 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.146 0.337 18225 10208 1 29 . 1 1 63 63 HIS H H 63 8.541 8.541 9.029 -0.488 18225 10209 1 30 . 1 1 2 2 GLU N N 2 123.432 123.432 120.888 2.544 18225 10210 1 30 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.119 0.290 18225 10211 1 30 . 1 1 2 2 GLU C C 2 175.510 175.510 174.787 0.723 18225 10212 1 30 . 1 1 2 2 GLU CA C 2 56.216 56.216 58.303 -2.087 18225 10213 1 30 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.820 0.718 18225 10214 1 30 . 1 1 2 2 GLU H H 2 8.824 8.824 8.788 0.036 18225 10215 1 30 . 1 1 3 3 GLU N N 3 121.813 121.813 118.327 3.486 18225 10216 1 30 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.419 -0.041 18225 10217 1 30 . 1 1 3 3 GLU C C 3 176.299 176.299 175.389 0.910 18225 10218 1 30 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.028 0.264 18225 10219 1 30 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.785 -1.333 18225 10220 1 30 . 1 1 3 3 GLU H H 3 8.546 8.546 7.854 0.692 18225 10221 1 30 . 1 1 4 4 GLY N N 4 109.619 109.619 112.513 -2.894 18225 10222 1 30 . 1 1 4 4 GLY C C 4 174.449 174.449 174.082 0.367 18225 10223 1 30 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.139 0.391 18225 10224 1 30 . 1 1 4 4 GLY H H 4 8.463 8.463 8.660 -0.197 18225 10225 1 30 . 1 1 5 5 GLY N N 5 108.241 108.241 108.005 0.236 18225 10226 1 30 . 1 1 5 5 GLY C C 5 173.965 173.965 174.629 -0.664 18225 10227 1 30 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.827 0.625 18225 10228 1 30 . 1 1 5 5 GLY H H 5 8.220 8.220 7.511 0.709 18225 10229 1 30 . 1 1 6 6 ASP N N 6 119.184 119.184 125.534 -6.350 18225 10230 1 30 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.489 0.109 18225 10231 1 30 . 1 1 6 6 ASP C C 6 175.801 175.801 176.783 -0.982 18225 10232 1 30 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.940 -2.028 18225 10233 1 30 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.049 -1.714 18225 10234 1 30 . 1 1 6 6 ASP H H 6 8.329 8.329 9.019 -0.690 18225 10235 1 30 . 1 1 7 7 PHE N N 7 119.589 119.589 113.783 5.806 18225 10236 1 30 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.847 -0.367 18225 10237 1 30 . 1 1 7 7 PHE C C 7 175.881 175.881 173.756 2.125 18225 10238 1 30 . 1 1 7 7 PHE CA C 7 58.821 58.821 56.333 2.488 18225 10239 1 30 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.530 -0.448 18225 10240 1 30 . 1 1 7 7 PHE H H 7 8.342 8.342 7.725 0.617 18225 10241 1 30 . 1 1 8 8 ASP N N 8 118.430 118.430 123.667 -5.237 18225 10242 1 30 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.708 0.748 18225 10243 1 30 . 1 1 8 8 ASP C C 8 175.642 175.642 175.659 -0.017 18225 10244 1 30 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.547 0.056 18225 10245 1 30 . 1 1 8 8 ASP CB C 8 38.584 38.584 39.008 -0.423 18225 10246 1 30 . 1 1 8 8 ASP H H 8 8.223 8.223 8.076 0.147 18225 10247 1 30 . 1 1 9 9 ASN N N 9 117.097 117.097 120.408 -3.311 18225 10248 1 30 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.660 -0.101 18225 10249 1 30 . 1 1 9 9 ASN C C 9 175.264 175.264 174.624 0.640 18225 10250 1 30 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.562 1.282 18225 10251 1 30 . 1 1 9 9 ASN CB C 9 38.715 38.715 38.870 -0.155 18225 10252 1 30 . 1 1 9 9 ASN H H 9 8.069 8.069 7.473 0.596 18225 10253 1 30 . 1 1 10 10 TYR N N 10 119.007 119.007 117.229 1.778 18225 10254 1 30 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.961 0.388 18225 10255 1 30 . 1 1 10 10 TYR C C 10 175.387 175.387 175.489 -0.102 18225 10256 1 30 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.723 -1.529 18225 10257 1 30 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.314 1.514 18225 10258 1 30 . 1 1 10 10 TYR H H 10 7.901 7.901 7.360 0.541 18225 10259 1 30 . 1 1 11 11 TYR N N 11 117.992 117.992 119.716 -1.724 18225 10260 1 30 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.336 0.107 18225 10261 1 30 . 1 1 11 11 TYR C C 11 175.765 175.765 175.585 0.180 18225 10262 1 30 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.780 -0.408 18225 10263 1 30 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.889 -0.095 18225 10264 1 30 . 1 1 11 11 TYR H H 11 7.885 7.885 8.426 -0.541 18225 10265 1 30 . 1 1 12 12 GLY N N 12 108.601 108.601 108.476 0.125 18225 10266 1 30 . 1 1 12 12 GLY C C 12 173.934 173.934 174.354 -0.420 18225 10267 1 30 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.748 -0.259 18225 10268 1 30 . 1 1 12 12 GLY H H 12 7.861 7.861 8.267 -0.406 18225 10269 1 30 . 1 1 13 13 ALA N N 13 122.926 122.926 121.794 1.132 18225 10270 1 30 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.113 0.166 18225 10271 1 30 . 1 1 13 13 ALA C C 13 177.457 177.457 178.976 -1.519 18225 10272 1 30 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.810 -1.028 18225 10273 1 30 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.971 0.476 18225 10274 1 30 . 1 1 13 13 ALA H H 13 7.985 7.985 8.087 -0.102 18225 10275 1 30 . 1 1 14 14 ASP N N 14 117.380 117.380 118.041 -0.661 18225 10276 1 30 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.280 0.360 18225 10277 1 30 . 1 1 14 14 ASP C C 14 175.428 175.428 178.118 -2.690 18225 10278 1 30 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.813 -3.141 18225 10279 1 30 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.986 -0.621 18225 10280 1 30 . 1 1 14 14 ASP H H 14 8.330 8.330 8.729 -0.399 18225 10281 1 30 . 1 1 15 15 ASN N N 15 118.465 118.465 116.279 2.186 18225 10282 1 30 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.427 0.212 18225 10283 1 30 . 1 1 15 15 ASN C C 15 175.467 175.467 175.870 -0.403 18225 10284 1 30 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.020 -1.363 18225 10285 1 30 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.573 0.395 18225 10286 1 30 . 1 1 15 15 ASN H H 15 8.207 8.207 8.043 0.164 18225 10287 1 30 . 1 1 16 16 GLN N N 16 119.741 119.741 117.119 2.622 18225 10288 1 30 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.398 -0.083 18225 10289 1 30 . 1 1 16 16 GLN C C 16 176.350 176.350 174.869 1.481 18225 10290 1 30 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.596 1.044 18225 10291 1 30 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.945 0.151 18225 10292 1 30 . 1 1 16 16 GLN H H 16 8.292 8.292 7.958 0.334 18225 10293 1 30 . 1 1 17 17 SER N N 17 115.772 115.772 115.159 0.613 18225 10294 1 30 . 1 1 17 17 SER HA H 17 4.390 4.390 4.678 -0.288 18225 10295 1 30 . 1 1 17 17 SER C C 17 174.799 174.799 173.137 1.662 18225 10296 1 30 . 1 1 17 17 SER CA C 17 59.165 59.165 57.008 2.157 18225 10297 1 30 . 1 1 17 17 SER CB C 17 63.651 63.651 64.856 -1.205 18225 10298 1 30 . 1 1 17 17 SER H H 17 8.224 8.224 7.814 0.410 18225 10299 1 30 . 1 1 18 18 GLU N N 18 121.211 121.211 120.738 0.473 18225 10300 1 30 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.275 0.043 18225 10301 1 30 . 1 1 18 18 GLU C C 18 176.201 176.201 175.639 0.562 18225 10302 1 30 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.908 -1.183 18225 10303 1 30 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.349 -0.384 18225 10304 1 30 . 1 1 18 18 GLU H H 18 8.285 8.285 8.558 -0.273 18225 10305 1 30 . 1 1 19 19 CYS N N 19 118.653 118.653 126.053 -7.400 18225 10306 1 30 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.664 -0.241 18225 10307 1 30 . 1 1 19 19 CYS C C 19 174.698 174.698 174.130 0.568 18225 10308 1 30 . 1 1 19 19 CYS CA C 19 59.075 59.075 57.744 1.331 18225 10309 1 30 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.048 -0.198 18225 10310 1 30 . 1 1 19 19 CYS H H 19 8.202 8.202 8.379 -0.177 18225 10311 1 30 . 1 1 20 20 GLU N N 20 121.851 121.851 119.885 1.966 18225 10312 1 30 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.220 0.045 18225 10313 1 30 . 1 1 20 20 GLU C C 20 176.100 176.100 175.936 0.164 18225 10314 1 30 . 1 1 20 20 GLU CA C 20 56.822 56.822 58.186 -1.364 18225 10315 1 30 . 1 1 20 20 GLU CB C 20 28.976 28.976 28.030 0.945 18225 10316 1 30 . 1 1 20 20 GLU H H 20 8.349 8.349 9.117 -0.768 18225 10317 1 30 . 1 1 21 21 TYR N N 21 118.491 118.491 113.724 4.767 18225 10318 1 30 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.076 -0.658 18225 10319 1 30 . 1 1 21 21 TYR C C 21 175.881 175.881 173.837 2.044 18225 10320 1 30 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.410 1.321 18225 10321 1 30 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.393 -0.767 18225 10322 1 30 . 1 1 21 21 TYR H H 21 7.974 7.974 8.257 -0.283 18225 10323 1 30 . 1 1 22 22 THR N N 22 112.161 112.161 112.535 -0.374 18225 10324 1 30 . 1 1 22 22 THR HA H 22 4.105 4.105 3.874 0.231 18225 10325 1 30 . 1 1 22 22 THR C C 22 174.666 174.666 175.263 -0.597 18225 10326 1 30 . 1 1 22 22 THR CA C 22 63.190 63.190 62.167 1.023 18225 10327 1 30 . 1 1 22 22 THR CB C 22 69.306 69.306 68.664 0.642 18225 10328 1 30 . 1 1 22 22 THR H H 22 7.747 7.747 7.828 -0.081 18225 10329 1 30 . 1 1 23 23 ASP N N 23 120.529 120.529 123.553 -3.024 18225 10330 1 30 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.518 0.136 18225 10331 1 30 . 1 1 23 23 ASP C C 23 176.119 176.119 176.032 0.087 18225 10332 1 30 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.103 -2.200 18225 10333 1 30 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.772 -1.634 18225 10334 1 30 . 1 1 23 23 ASP H H 23 8.114 8.114 8.523 -0.409 18225 10335 1 30 . 1 1 24 24 TRP N N 24 121.466 121.466 114.772 6.694 18225 10336 1 30 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.819 -0.343 18225 10337 1 30 . 1 1 24 24 TRP C C 24 176.578 176.578 174.550 2.028 18225 10338 1 30 . 1 1 24 24 TRP CA C 24 58.311 58.311 54.523 3.788 18225 10339 1 30 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.545 0.641 18225 10340 1 30 . 1 1 24 24 TRP H H 24 8.034 8.034 7.357 0.677 18225 10341 1 30 . 1 1 25 25 LYS N N 25 119.430 119.430 125.531 -6.101 18225 10342 1 30 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.523 0.522 18225 10343 1 30 . 1 1 25 25 LYS C C 25 176.798 176.798 176.041 0.757 18225 10344 1 30 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.440 1.321 18225 10345 1 30 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.836 1.573 18225 10346 1 30 . 1 1 25 25 LYS H H 25 7.880 7.880 7.856 0.024 18225 10347 1 30 . 1 1 26 26 SER N N 26 113.780 113.780 117.741 -3.961 18225 10348 1 30 . 1 1 26 26 SER HA H 26 4.461 4.461 4.297 0.164 18225 10349 1 30 . 1 1 26 26 SER C C 26 174.957 174.957 173.598 1.359 18225 10350 1 30 . 1 1 26 26 SER CA C 26 58.760 58.760 58.705 0.055 18225 10351 1 30 . 1 1 26 26 SER CB C 26 63.889 63.889 63.285 0.604 18225 10352 1 30 . 1 1 26 26 SER H H 26 7.893 7.893 7.841 0.052 18225 10353 1 30 . 1 1 27 27 SER N N 27 116.730 116.730 119.232 -2.502 18225 10354 1 30 . 1 1 27 27 SER HA H 27 4.328 4.328 4.449 -0.121 18225 10355 1 30 . 1 1 27 27 SER C C 27 175.563 175.563 174.662 0.901 18225 10356 1 30 . 1 1 27 27 SER CA C 27 59.856 59.856 59.313 0.543 18225 10357 1 30 . 1 1 27 27 SER CB C 27 63.819 63.819 62.806 1.013 18225 10358 1 30 . 1 1 27 27 SER H H 27 8.137 8.137 8.750 -0.613 18225 10359 1 30 . 1 1 28 28 GLY N N 28 110.734 110.734 107.836 2.898 18225 10360 1 30 . 1 1 28 28 GLY C C 28 174.314 174.314 173.649 0.665 18225 10361 1 30 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.874 1.251 18225 10362 1 30 . 1 1 28 28 GLY H H 28 8.477 8.477 7.514 0.963 18225 10363 1 30 . 1 1 29 29 ALA N N 29 121.690 121.690 119.899 1.791 18225 10364 1 30 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.075 0.214 18225 10365 1 30 . 1 1 29 29 ALA C C 29 177.330 177.330 177.782 -0.452 18225 10366 1 30 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.848 -0.674 18225 10367 1 30 . 1 1 29 29 ALA CB C 29 19.884 19.884 16.774 3.110 18225 10368 1 30 . 1 1 29 29 ALA H H 29 8.189 8.189 8.094 0.095 18225 10369 1 30 . 1 1 30 30 LEU N N 30 117.292 117.292 117.532 -0.240 18225 10370 1 30 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.557 -0.478 18225 10371 1 30 . 1 1 30 30 LEU C C 30 177.377 177.377 177.962 -0.585 18225 10372 1 30 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.594 2.640 18225 10373 1 30 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.248 0.166 18225 10374 1 30 . 1 1 30 30 LEU H H 30 7.873 7.873 8.045 -0.172 18225 10375 1 30 . 1 1 31 31 ILE N N 31 116.517 116.517 120.312 -3.795 18225 10376 1 30 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.089 -0.206 18225 10377 1 30 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.998 0.268 18225 10378 1 30 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.499 -0.743 18225 10379 1 30 . 1 1 31 31 ILE H H 31 8.262 8.262 7.993 0.269 18225 10380 1 30 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.303 -0.091 18225 10381 1 30 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.058 0.935 18225 10382 1 30 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.879 0.113 18225 10383 1 30 . 1 1 33 33 ALA N N 33 118.208 118.208 119.709 -1.501 18225 10384 1 30 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.441 -0.375 18225 10385 1 30 . 1 1 33 33 ALA C C 33 178.814 178.814 179.097 -0.283 18225 10386 1 30 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.035 2.654 18225 10387 1 30 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.390 -1.011 18225 10388 1 30 . 1 1 33 33 ALA H H 33 7.613 7.613 7.175 0.438 18225 10389 1 30 . 1 1 34 34 ILE N N 34 117.730 117.730 119.883 -2.153 18225 10390 1 30 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.725 -0.060 18225 10391 1 30 . 1 1 34 34 ILE C C 34 177.826 177.826 177.780 0.046 18225 10392 1 30 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.371 0.783 18225 10393 1 30 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.413 -0.130 18225 10394 1 30 . 1 1 34 34 ILE H H 34 8.259 8.259 7.965 0.294 18225 10395 1 30 . 1 1 35 35 TYR N N 35 118.693 118.693 120.362 -1.669 18225 10396 1 30 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.242 -0.149 18225 10397 1 30 . 1 1 35 35 TYR C C 35 177.885 177.885 177.021 0.864 18225 10398 1 30 . 1 1 35 35 TYR CA C 35 61.638 61.638 62.326 -0.688 18225 10399 1 30 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.724 -0.800 18225 10400 1 30 . 1 1 35 35 TYR H H 35 8.347 8.347 7.648 0.699 18225 10401 1 30 . 1 1 36 36 MET N N 36 117.356 117.356 118.764 -1.408 18225 10402 1 30 . 1 1 36 36 MET HA H 36 4.220 4.220 4.104 0.116 18225 10403 1 30 . 1 1 36 36 MET C C 36 177.903 177.903 177.953 -0.050 18225 10404 1 30 . 1 1 36 36 MET CA C 36 58.653 58.653 58.042 0.611 18225 10405 1 30 . 1 1 36 36 MET CB C 36 32.172 32.172 31.719 0.453 18225 10406 1 30 . 1 1 36 36 MET H H 36 8.252 8.252 8.053 0.199 18225 10407 1 30 . 1 1 37 37 LEU N N 37 119.978 119.978 119.732 0.246 18225 10408 1 30 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.072 -0.044 18225 10409 1 30 . 1 1 37 37 LEU C C 37 178.393 178.393 179.163 -0.770 18225 10410 1 30 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.813 0.829 18225 10411 1 30 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.835 0.154 18225 10412 1 30 . 1 1 37 37 LEU H H 37 8.301 8.301 8.525 -0.224 18225 10413 1 30 . 1 1 38 38 VAL N N 38 117.991 117.991 118.682 -0.691 18225 10414 1 30 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.504 -0.002 18225 10415 1 30 . 1 1 38 38 VAL C C 38 177.962 177.962 177.575 0.387 18225 10416 1 30 . 1 1 38 38 VAL CA C 38 67.155 67.155 66.102 1.053 18225 10417 1 30 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.429 -0.014 18225 10418 1 30 . 1 1 38 38 VAL H H 38 8.414 8.414 7.697 0.717 18225 10419 1 30 . 1 1 39 39 PHE N N 39 119.830 119.830 119.860 -0.030 18225 10420 1 30 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.048 0.130 18225 10421 1 30 . 1 1 39 39 PHE C C 39 178.233 178.233 177.763 0.470 18225 10422 1 30 . 1 1 39 39 PHE CA C 39 61.503 61.503 62.458 -0.955 18225 10423 1 30 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.242 -0.184 18225 10424 1 30 . 1 1 39 39 PHE H H 39 8.337 8.337 7.539 0.798 18225 10425 1 30 . 1 1 40 40 LEU N N 40 119.985 119.985 114.840 5.145 18225 10426 1 30 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.197 -0.231 18225 10427 1 30 . 1 1 40 40 LEU C C 40 179.279 179.279 176.360 2.919 18225 10428 1 30 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.297 1.575 18225 10429 1 30 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.623 0.763 18225 10430 1 30 . 1 1 40 40 LEU H H 40 8.603 8.603 7.600 1.003 18225 10431 1 30 . 1 1 41 41 LEU N N 41 118.649 118.649 115.676 2.973 18225 10432 1 30 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.502 -0.458 18225 10433 1 30 . 1 1 41 41 LEU C C 41 178.670 178.670 176.655 2.015 18225 10434 1 30 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.340 3.343 18225 10435 1 30 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.718 -0.787 18225 10436 1 30 . 1 1 41 41 LEU H H 41 8.486 8.486 7.074 1.412 18225 10437 1 30 . 1 1 42 42 GLY N N 42 105.262 105.262 105.878 -0.616 18225 10438 1 30 . 1 1 42 42 GLY C C 42 174.814 174.814 174.275 0.539 18225 10439 1 30 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.010 0.395 18225 10440 1 30 . 1 1 42 42 GLY H H 42 8.289 8.289 7.986 0.303 18225 10441 1 30 . 1 1 43 43 THR N N 43 111.955 111.955 114.270 -2.315 18225 10442 1 30 . 1 1 43 43 THR HA H 43 4.243 4.243 4.315 -0.072 18225 10443 1 30 . 1 1 43 43 THR C C 43 175.888 175.888 174.737 1.151 18225 10444 1 30 . 1 1 43 43 THR CA C 43 63.505 63.505 63.475 0.030 18225 10445 1 30 . 1 1 43 43 THR CB C 43 69.598 69.598 69.374 0.224 18225 10446 1 30 . 1 1 43 43 THR H H 43 7.891 7.891 7.507 0.384 18225 10447 1 30 . 1 1 44 44 THR N N 44 111.997 111.997 117.568 -5.571 18225 10448 1 30 . 1 1 44 44 THR HA H 44 4.320 4.320 4.214 0.106 18225 10449 1 30 . 1 1 44 44 THR C C 44 175.543 175.543 176.256 -0.713 18225 10450 1 30 . 1 1 44 44 THR CA C 44 63.009 63.009 66.397 -3.388 18225 10451 1 30 . 1 1 44 44 THR CB C 44 69.881 69.881 69.222 0.659 18225 10452 1 30 . 1 1 44 44 THR H H 44 7.740 7.740 7.414 0.326 18225 10453 1 30 . 1 1 45 45 GLY N N 45 109.564 109.564 109.574 -0.010 18225 10454 1 30 . 1 1 45 45 GLY C C 45 174.928 174.928 174.456 0.472 18225 10455 1 30 . 1 1 45 45 GLY CA C 45 46.420 46.420 47.161 -0.741 18225 10456 1 30 . 1 1 45 45 GLY H H 45 8.243 8.243 8.800 -0.557 18225 10457 1 30 . 1 1 46 46 ASN N N 46 117.851 117.851 118.018 -0.167 18225 10458 1 30 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.695 0.022 18225 10459 1 30 . 1 1 46 46 ASN C C 46 176.127 176.127 174.541 1.586 18225 10460 1 30 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.728 1.886 18225 10461 1 30 . 1 1 46 46 ASN CB C 46 39.311 39.311 37.533 1.778 18225 10462 1 30 . 1 1 46 46 ASN H H 46 8.170 8.170 7.869 0.301 18225 10463 1 30 . 1 1 47 47 GLY N N 47 108.287 108.287 108.677 -0.390 18225 10464 1 30 . 1 1 47 47 GLY C C 47 174.612 174.612 174.878 -0.266 18225 10465 1 30 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.684 1.557 18225 10466 1 30 . 1 1 47 47 GLY H H 47 8.663 8.663 7.821 0.842 18225 10467 1 30 . 1 1 48 48 LEU N N 48 120.479 120.479 119.707 0.772 18225 10468 1 30 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.928 -0.660 18225 10469 1 30 . 1 1 48 48 LEU C C 48 179.407 179.407 178.186 1.221 18225 10470 1 30 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.496 1.096 18225 10471 1 30 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.236 -1.498 18225 10472 1 30 . 1 1 48 48 LEU H H 48 8.149 8.149 7.458 0.691 18225 10473 1 30 . 1 1 49 49 VAL N N 49 119.968 119.968 116.429 3.539 18225 10474 1 30 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.753 0.063 18225 10475 1 30 . 1 1 49 49 VAL C C 49 177.444 177.444 176.578 0.866 18225 10476 1 30 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.301 0.642 18225 10477 1 30 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.362 0.316 18225 10478 1 30 . 1 1 49 49 VAL H H 49 7.969 7.969 8.149 -0.180 18225 10479 1 30 . 1 1 50 50 LEU N N 50 119.329 119.329 118.916 0.413 18225 10480 1 30 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.363 -0.351 18225 10481 1 30 . 1 1 50 50 LEU C C 50 178.085 178.085 177.474 0.611 18225 10482 1 30 . 1 1 50 50 LEU CA C 50 57.917 57.917 56.265 1.652 18225 10483 1 30 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.005 0.701 18225 10484 1 30 . 1 1 50 50 LEU H H 50 7.814 7.814 7.584 0.230 18225 10485 1 30 . 1 1 51 51 TRP N N 51 118.186 118.186 121.802 -3.616 18225 10486 1 30 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.796 -0.307 18225 10487 1 30 . 1 1 51 51 TRP C C 51 177.377 177.377 177.328 0.049 18225 10488 1 30 . 1 1 51 51 TRP CA C 51 60.058 60.058 58.235 1.823 18225 10489 1 30 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.438 -0.657 18225 10490 1 30 . 1 1 51 51 TRP H H 51 8.125 8.125 8.582 -0.457 18225 10491 1 30 . 1 1 52 52 THR N N 52 113.180 113.180 114.897 -1.717 18225 10492 1 30 . 1 1 52 52 THR HA H 52 3.787 3.787 3.514 0.273 18225 10493 1 30 . 1 1 52 52 THR C C 52 176.309 176.309 176.529 -0.220 18225 10494 1 30 . 1 1 52 52 THR CA C 52 66.473 66.473 64.565 1.908 18225 10495 1 30 . 1 1 52 52 THR CB C 52 68.865 68.865 68.804 0.061 18225 10496 1 30 . 1 1 52 52 THR H H 52 8.079 8.079 7.529 0.550 18225 10497 1 30 . 1 1 53 53 VAL N N 53 119.953 119.953 122.172 -2.219 18225 10498 1 30 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.662 -0.014 18225 10499 1 30 . 1 1 53 53 VAL C C 53 177.252 177.252 176.456 0.796 18225 10500 1 30 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.077 1.009 18225 10501 1 30 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.271 0.433 18225 10502 1 30 . 1 1 53 53 VAL H H 53 7.913 7.913 7.430 0.483 18225 10503 1 30 . 1 1 54 54 PHE N N 54 118.204 118.204 117.770 0.434 18225 10504 1 30 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.442 -0.195 18225 10505 1 30 . 1 1 54 54 PHE C C 54 177.144 177.144 175.953 1.191 18225 10506 1 30 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.196 1.258 18225 10507 1 30 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.213 -0.097 18225 10508 1 30 . 1 1 54 54 PHE H H 54 8.030 8.030 7.867 0.163 18225 10509 1 30 . 1 1 55 55 ARG N N 55 117.725 117.725 118.829 -1.104 18225 10510 1 30 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.406 -0.522 18225 10511 1 30 . 1 1 55 55 ARG C C 55 177.443 177.443 177.513 -0.070 18225 10512 1 30 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.690 -0.136 18225 10513 1 30 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.949 -1.142 18225 10514 1 30 . 1 1 55 55 ARG H H 55 8.034 8.034 8.173 -0.139 18225 10515 1 30 . 1 1 56 56 LYS N N 56 118.622 118.622 118.429 0.193 18225 10516 1 30 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.301 -0.137 18225 10517 1 30 . 1 1 56 56 LYS C C 56 177.418 177.418 177.158 0.260 18225 10518 1 30 . 1 1 56 56 LYS CA C 56 57.517 57.517 55.883 1.634 18225 10519 1 30 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.954 -0.146 18225 10520 1 30 . 1 1 56 56 LYS H H 56 7.804 7.804 7.608 0.196 18225 10521 1 30 . 1 1 57 57 LYS N N 57 118.937 118.937 119.243 -0.306 18225 10522 1 30 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.808 0.450 18225 10523 1 30 . 1 1 57 57 LYS C C 57 177.029 177.029 176.969 0.060 18225 10524 1 30 . 1 1 57 57 LYS CA C 57 56.610 56.610 56.766 -0.156 18225 10525 1 30 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.043 1.835 18225 10526 1 30 . 1 1 57 57 LYS H H 57 7.974 7.974 7.897 0.077 18225 10527 1 30 . 1 1 58 58 GLY N N 58 107.785 107.785 107.834 -0.049 18225 10528 1 30 . 1 1 58 58 GLY C C 58 173.543 173.543 173.781 -0.238 18225 10529 1 30 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.111 0.362 18225 10530 1 30 . 1 1 58 58 GLY H H 58 8.136 8.136 8.575 -0.439 18225 10531 1 30 . 1 1 59 59 HIS N N 59 117.024 117.024 117.179 -0.155 18225 10532 1 30 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.736 -0.114 18225 10533 1 30 . 1 1 59 59 HIS C C 59 174.183 174.183 174.446 -0.263 18225 10534 1 30 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.584 -0.303 18225 10535 1 30 . 1 1 59 59 HIS CB C 59 29.081 29.081 31.281 -2.200 18225 10536 1 30 . 1 1 59 59 HIS H H 59 8.163 8.163 8.246 -0.083 18225 10537 1 30 . 1 1 60 60 HIS N N 60 118.841 118.841 120.110 -1.269 18225 10538 1 30 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.507 0.123 18225 10539 1 30 . 1 1 60 60 HIS C C 60 174.157 174.157 172.849 1.308 18225 10540 1 30 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.650 -1.310 18225 10541 1 30 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.977 -0.873 18225 10542 1 30 . 1 1 60 60 HIS H H 60 8.507 8.507 8.367 0.140 18225 10543 1 30 . 1 1 61 61 HIS N N 61 119.636 119.636 121.044 -1.408 18225 10544 1 30 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.809 -0.155 18225 10545 1 30 . 1 1 61 61 HIS C C 61 174.095 174.095 175.432 -1.337 18225 10546 1 30 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.098 0.231 18225 10547 1 30 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.326 -2.092 18225 10548 1 30 . 1 1 61 61 HIS H H 61 8.613 8.613 8.268 0.345 18225 10549 1 30 . 1 1 62 62 HIS N N 62 120.286 120.286 123.570 -3.284 18225 10550 1 30 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.377 0.283 18225 10551 1 30 . 1 1 62 62 HIS C C 62 173.928 173.928 174.220 -0.292 18225 10552 1 30 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.799 -1.443 18225 10553 1 30 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.567 -1.238 18225 10554 1 30 . 1 1 62 62 HIS H H 62 8.680 8.680 8.385 0.295 18225 10555 1 30 . 1 1 63 63 HIS N N 63 120.408 120.408 121.278 -0.870 18225 10556 1 30 . 1 1 63 63 HIS HA H 63 4.649 4.649 3.908 0.741 18225 10557 1 30 . 1 1 63 63 HIS C C 63 173.437 173.437 174.093 -0.656 18225 10558 1 30 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.400 0.164 18225 10559 1 30 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.584 -0.101 18225 10560 1 30 . 1 1 63 63 HIS H H 63 8.541 8.541 8.487 0.054 18225 10561 1 31 . 1 1 2 2 GLU N N 2 123.432 123.432 122.488 0.944 18225 10562 1 31 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.475 -0.066 18225 10563 1 31 . 1 1 2 2 GLU C C 2 175.510 175.510 176.361 -0.851 18225 10564 1 31 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.002 0.214 18225 10565 1 31 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.746 -0.208 18225 10566 1 31 . 1 1 2 2 GLU H H 2 8.824 8.824 8.449 0.375 18225 10567 1 31 . 1 1 3 3 GLU N N 3 121.813 121.813 123.842 -2.029 18225 10568 1 31 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.208 0.170 18225 10569 1 31 . 1 1 3 3 GLU C C 3 176.299 176.299 178.296 -1.997 18225 10570 1 31 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.641 -0.349 18225 10571 1 31 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.528 -1.076 18225 10572 1 31 . 1 1 3 3 GLU H H 3 8.546 8.546 8.493 0.053 18225 10573 1 31 . 1 1 4 4 GLY N N 4 109.619 109.619 108.050 1.569 18225 10574 1 31 . 1 1 4 4 GLY C C 4 174.449 174.449 174.103 0.346 18225 10575 1 31 . 1 1 4 4 GLY CA C 4 45.530 45.530 45.886 -0.356 18225 10576 1 31 . 1 1 4 4 GLY H H 4 8.463 8.463 8.453 0.010 18225 10577 1 31 . 1 1 5 5 GLY N N 5 108.241 108.241 106.710 1.531 18225 10578 1 31 . 1 1 5 5 GLY C C 5 173.965 173.965 173.936 0.029 18225 10579 1 31 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.438 1.014 18225 10580 1 31 . 1 1 5 5 GLY H H 5 8.220 8.220 7.546 0.674 18225 10581 1 31 . 1 1 6 6 ASP N N 6 119.184 119.184 120.303 -1.119 18225 10582 1 31 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.483 0.115 18225 10583 1 31 . 1 1 6 6 ASP C C 6 175.801 175.801 176.551 -0.750 18225 10584 1 31 . 1 1 6 6 ASP CA C 6 53.912 53.912 56.144 -2.232 18225 10585 1 31 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.364 -2.029 18225 10586 1 31 . 1 1 6 6 ASP H H 6 8.329 8.329 8.625 -0.296 18225 10587 1 31 . 1 1 7 7 PHE N N 7 119.589 119.589 116.146 3.443 18225 10588 1 31 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.833 -0.353 18225 10589 1 31 . 1 1 7 7 PHE C C 7 175.881 175.881 173.956 1.925 18225 10590 1 31 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.010 1.811 18225 10591 1 31 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.352 -1.270 18225 10592 1 31 . 1 1 7 7 PHE H H 7 8.342 8.342 7.566 0.776 18225 10593 1 31 . 1 1 8 8 ASP N N 8 118.430 118.430 123.758 -5.328 18225 10594 1 31 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.533 -0.077 18225 10595 1 31 . 1 1 8 8 ASP C C 8 175.642 175.642 175.248 0.394 18225 10596 1 31 . 1 1 8 8 ASP CA C 8 54.603 54.603 53.651 0.952 18225 10597 1 31 . 1 1 8 8 ASP CB C 8 38.584 38.584 43.395 -4.811 18225 10598 1 31 . 1 1 8 8 ASP H H 8 8.223 8.223 8.147 0.076 18225 10599 1 31 . 1 1 9 9 ASN N N 9 117.097 117.097 116.309 0.788 18225 10600 1 31 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.149 0.410 18225 10601 1 31 . 1 1 9 9 ASN C C 9 175.264 175.264 173.003 2.261 18225 10602 1 31 . 1 1 9 9 ASN CA C 9 53.844 53.844 54.491 -0.647 18225 10603 1 31 . 1 1 9 9 ASN CB C 9 38.715 38.715 37.879 0.836 18225 10604 1 31 . 1 1 9 9 ASN H H 9 8.069 8.069 8.711 -0.642 18225 10605 1 31 . 1 1 10 10 TYR N N 10 119.007 119.007 112.630 6.377 18225 10606 1 31 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.514 -0.165 18225 10607 1 31 . 1 1 10 10 TYR C C 10 175.387 175.387 175.674 -0.287 18225 10608 1 31 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.340 0.854 18225 10609 1 31 . 1 1 10 10 TYR CB C 10 38.828 38.828 39.505 -0.677 18225 10610 1 31 . 1 1 10 10 TYR H H 10 7.901 7.901 7.632 0.269 18225 10611 1 31 . 1 1 11 11 TYR N N 11 117.992 117.992 119.860 -1.868 18225 10612 1 31 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.217 0.226 18225 10613 1 31 . 1 1 11 11 TYR C C 11 175.765 175.765 176.749 -0.984 18225 10614 1 31 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.321 -1.949 18225 10615 1 31 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.416 1.378 18225 10616 1 31 . 1 1 11 11 TYR H H 11 7.885 7.885 8.065 -0.180 18225 10617 1 31 . 1 1 12 12 GLY N N 12 108.601 108.601 108.216 0.385 18225 10618 1 31 . 1 1 12 12 GLY C C 12 173.934 173.934 173.942 -0.008 18225 10619 1 31 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.336 0.153 18225 10620 1 31 . 1 1 12 12 GLY H H 12 7.861 7.861 8.671 -0.810 18225 10621 1 31 . 1 1 13 13 ALA N N 13 122.926 122.926 122.339 0.587 18225 10622 1 31 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.003 0.276 18225 10623 1 31 . 1 1 13 13 ALA C C 13 177.457 177.457 176.094 1.363 18225 10624 1 31 . 1 1 13 13 ALA CA C 13 52.782 52.782 52.561 0.221 18225 10625 1 31 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.325 2.122 18225 10626 1 31 . 1 1 13 13 ALA H H 13 7.985 7.985 8.136 -0.151 18225 10627 1 31 . 1 1 14 14 ASP N N 14 117.380 117.380 114.969 2.411 18225 10628 1 31 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.233 0.407 18225 10629 1 31 . 1 1 14 14 ASP C C 14 175.428 175.428 176.005 -0.577 18225 10630 1 31 . 1 1 14 14 ASP CA C 14 53.672 53.672 55.387 -1.715 18225 10631 1 31 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.314 0.051 18225 10632 1 31 . 1 1 14 14 ASP H H 14 8.330 8.330 8.555 -0.225 18225 10633 1 31 . 1 1 15 15 ASN N N 15 118.465 118.465 117.631 0.834 18225 10634 1 31 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.526 0.113 18225 10635 1 31 . 1 1 15 15 ASN C C 15 175.467 175.467 176.163 -0.696 18225 10636 1 31 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.771 -1.114 18225 10637 1 31 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.646 -0.678 18225 10638 1 31 . 1 1 15 15 ASN H H 15 8.207 8.207 7.853 0.354 18225 10639 1 31 . 1 1 16 16 GLN N N 16 119.741 119.741 118.727 1.014 18225 10640 1 31 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.341 -0.026 18225 10641 1 31 . 1 1 16 16 GLN C C 16 176.350 176.350 173.928 2.422 18225 10642 1 31 . 1 1 16 16 GLN CA C 16 56.640 56.640 54.907 1.733 18225 10643 1 31 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.378 0.718 18225 10644 1 31 . 1 1 16 16 GLN H H 16 8.292 8.292 8.037 0.255 18225 10645 1 31 . 1 1 17 17 SER N N 17 115.772 115.772 114.463 1.309 18225 10646 1 31 . 1 1 17 17 SER HA H 17 4.390 4.390 4.482 -0.092 18225 10647 1 31 . 1 1 17 17 SER C C 17 174.799 174.799 173.989 0.810 18225 10648 1 31 . 1 1 17 17 SER CA C 17 59.165 59.165 57.736 1.429 18225 10649 1 31 . 1 1 17 17 SER CB C 17 63.651 63.651 64.588 -0.937 18225 10650 1 31 . 1 1 17 17 SER H H 17 8.224 8.224 7.586 0.638 18225 10651 1 31 . 1 1 18 18 GLU N N 18 121.211 121.211 123.113 -1.902 18225 10652 1 31 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.253 0.065 18225 10653 1 31 . 1 1 18 18 GLU C C 18 176.201 176.201 175.615 0.586 18225 10654 1 31 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.293 -0.568 18225 10655 1 31 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.441 -0.476 18225 10656 1 31 . 1 1 18 18 GLU H H 18 8.285 8.285 9.007 -0.722 18225 10657 1 31 . 1 1 19 19 CYS N N 19 118.653 118.653 120.018 -1.365 18225 10658 1 31 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.412 0.011 18225 10659 1 31 . 1 1 19 19 CYS C C 19 174.698 174.698 174.043 0.655 18225 10660 1 31 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.190 0.885 18225 10661 1 31 . 1 1 19 19 CYS CB C 19 27.850 27.850 26.383 1.467 18225 10662 1 31 . 1 1 19 19 CYS H H 19 8.202 8.202 8.462 -0.260 18225 10663 1 31 . 1 1 20 20 GLU N N 20 121.851 121.851 118.026 3.825 18225 10664 1 31 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.003 0.262 18225 10665 1 31 . 1 1 20 20 GLU C C 20 176.100 176.100 175.067 1.033 18225 10666 1 31 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.379 -0.557 18225 10667 1 31 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.647 1.329 18225 10668 1 31 . 1 1 20 20 GLU H H 20 8.349 8.349 8.049 0.300 18225 10669 1 31 . 1 1 21 21 TYR N N 21 118.491 118.491 113.590 4.901 18225 10670 1 31 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.936 -0.518 18225 10671 1 31 . 1 1 21 21 TYR C C 21 175.881 175.881 174.535 1.346 18225 10672 1 31 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.748 0.983 18225 10673 1 31 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.425 0.201 18225 10674 1 31 . 1 1 21 21 TYR H H 21 7.974 7.974 8.131 -0.157 18225 10675 1 31 . 1 1 22 22 THR N N 22 112.161 112.161 110.955 1.206 18225 10676 1 31 . 1 1 22 22 THR HA H 22 4.105 4.105 4.177 -0.072 18225 10677 1 31 . 1 1 22 22 THR C C 22 174.666 174.666 174.952 -0.286 18225 10678 1 31 . 1 1 22 22 THR CA C 22 63.190 63.190 61.887 1.303 18225 10679 1 31 . 1 1 22 22 THR CB C 22 69.306 69.306 69.033 0.273 18225 10680 1 31 . 1 1 22 22 THR H H 22 7.747 7.747 7.729 0.018 18225 10681 1 31 . 1 1 23 23 ASP N N 23 120.529 120.529 121.889 -1.360 18225 10682 1 31 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.493 0.161 18225 10683 1 31 . 1 1 23 23 ASP C C 23 176.119 176.119 177.578 -1.459 18225 10684 1 31 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.799 -1.896 18225 10685 1 31 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.712 -1.574 18225 10686 1 31 . 1 1 23 23 ASP H H 23 8.114 8.114 8.167 -0.053 18225 10687 1 31 . 1 1 24 24 TRP N N 24 121.466 121.466 120.403 1.063 18225 10688 1 31 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.264 0.212 18225 10689 1 31 . 1 1 24 24 TRP C C 24 176.578 176.578 176.553 0.025 18225 10690 1 31 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.524 0.787 18225 10691 1 31 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.569 0.617 18225 10692 1 31 . 1 1 24 24 TRP H H 24 8.034 8.034 8.340 -0.306 18225 10693 1 31 . 1 1 25 25 LYS N N 25 119.430 119.430 117.630 1.800 18225 10694 1 31 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.166 0.879 18225 10695 1 31 . 1 1 25 25 LYS C C 25 176.798 176.798 174.549 2.249 18225 10696 1 31 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.202 0.559 18225 10697 1 31 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.480 0.929 18225 10698 1 31 . 1 1 25 25 LYS H H 25 7.880 7.880 7.679 0.201 18225 10699 1 31 . 1 1 26 26 SER N N 26 113.780 113.780 113.264 0.516 18225 10700 1 31 . 1 1 26 26 SER HA H 26 4.461 4.461 4.396 0.065 18225 10701 1 31 . 1 1 26 26 SER C C 26 174.957 174.957 173.910 1.047 18225 10702 1 31 . 1 1 26 26 SER CA C 26 58.760 58.760 57.556 1.204 18225 10703 1 31 . 1 1 26 26 SER CB C 26 63.889 63.889 64.774 -0.885 18225 10704 1 31 . 1 1 26 26 SER H H 26 7.893 7.893 8.137 -0.244 18225 10705 1 31 . 1 1 27 27 SER N N 27 116.730 116.730 120.799 -4.069 18225 10706 1 31 . 1 1 27 27 SER HA H 27 4.328 4.328 4.277 0.051 18225 10707 1 31 . 1 1 27 27 SER C C 27 175.563 175.563 175.122 0.441 18225 10708 1 31 . 1 1 27 27 SER CA C 27 59.856 59.856 60.244 -0.388 18225 10709 1 31 . 1 1 27 27 SER CB C 27 63.819 63.819 63.192 0.627 18225 10710 1 31 . 1 1 27 27 SER H H 27 8.137 8.137 8.866 -0.729 18225 10711 1 31 . 1 1 28 28 GLY N N 28 110.734 110.734 106.229 4.505 18225 10712 1 31 . 1 1 28 28 GLY C C 28 174.314 174.314 174.288 0.026 18225 10713 1 31 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.910 1.215 18225 10714 1 31 . 1 1 28 28 GLY H H 28 8.477 8.477 7.925 0.552 18225 10715 1 31 . 1 1 29 29 ALA N N 29 121.690 121.690 119.513 2.177 18225 10716 1 31 . 1 1 29 29 ALA HA H 29 4.289 4.289 3.986 0.303 18225 10717 1 31 . 1 1 29 29 ALA C C 29 177.330 177.330 176.684 0.646 18225 10718 1 31 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.536 0.638 18225 10719 1 31 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.815 2.069 18225 10720 1 31 . 1 1 29 29 ALA H H 29 8.189 8.189 8.057 0.132 18225 10721 1 31 . 1 1 30 30 LEU N N 30 117.292 117.292 118.285 -0.993 18225 10722 1 31 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.509 -0.430 18225 10723 1 31 . 1 1 30 30 LEU C C 30 177.377 177.377 177.981 -0.604 18225 10724 1 31 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.076 3.158 18225 10725 1 31 . 1 1 30 30 LEU CB C 30 42.414 42.414 41.661 0.753 18225 10726 1 31 . 1 1 30 30 LEU H H 30 7.873 7.873 8.095 -0.222 18225 10727 1 31 . 1 1 31 31 ILE N N 31 116.517 116.517 121.060 -4.543 18225 10728 1 31 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.247 -0.364 18225 10729 1 31 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.076 1.190 18225 10730 1 31 . 1 1 31 31 ILE CB C 31 34.756 34.756 36.095 -1.339 18225 10731 1 31 . 1 1 31 31 ILE H H 31 8.262 8.262 7.999 0.263 18225 10732 1 31 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.593 -0.381 18225 10733 1 31 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.244 2.749 18225 10734 1 31 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.496 0.496 18225 10735 1 31 . 1 1 33 33 ALA N N 33 118.208 118.208 119.807 -1.599 18225 10736 1 31 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.498 -0.432 18225 10737 1 31 . 1 1 33 33 ALA C C 33 178.814 178.814 177.942 0.872 18225 10738 1 31 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.134 2.555 18225 10739 1 31 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.559 -2.180 18225 10740 1 31 . 1 1 33 33 ALA H H 33 7.613 7.613 7.508 0.105 18225 10741 1 31 . 1 1 34 34 ILE N N 34 117.730 117.730 119.697 -1.967 18225 10742 1 31 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.914 -0.249 18225 10743 1 31 . 1 1 34 34 ILE C C 34 177.826 177.826 176.348 1.478 18225 10744 1 31 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.302 0.852 18225 10745 1 31 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.913 -1.630 18225 10746 1 31 . 1 1 34 34 ILE H H 34 8.259 8.259 7.559 0.700 18225 10747 1 31 . 1 1 35 35 TYR N N 35 118.693 118.693 118.981 -0.288 18225 10748 1 31 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.289 -0.196 18225 10749 1 31 . 1 1 35 35 TYR C C 35 177.885 177.885 176.164 1.721 18225 10750 1 31 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.615 1.023 18225 10751 1 31 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.815 -0.891 18225 10752 1 31 . 1 1 35 35 TYR H H 35 8.347 8.347 7.736 0.611 18225 10753 1 31 . 1 1 36 36 MET N N 36 117.356 117.356 116.553 0.803 18225 10754 1 31 . 1 1 36 36 MET HA H 36 4.220 4.220 4.350 -0.130 18225 10755 1 31 . 1 1 36 36 MET C C 36 177.903 177.903 177.236 0.667 18225 10756 1 31 . 1 1 36 36 MET CA C 36 58.653 58.653 58.540 0.113 18225 10757 1 31 . 1 1 36 36 MET CB C 36 32.172 32.172 33.582 -1.410 18225 10758 1 31 . 1 1 36 36 MET H H 36 8.252 8.252 7.913 0.339 18225 10759 1 31 . 1 1 37 37 LEU N N 37 119.978 119.978 119.225 0.753 18225 10760 1 31 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.172 -0.144 18225 10761 1 31 . 1 1 37 37 LEU C C 37 178.393 178.393 176.441 1.952 18225 10762 1 31 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.485 3.157 18225 10763 1 31 . 1 1 37 37 LEU CB C 37 41.989 41.989 39.778 2.211 18225 10764 1 31 . 1 1 37 37 LEU H H 37 8.301 8.301 7.800 0.501 18225 10765 1 31 . 1 1 38 38 VAL N N 38 117.991 117.991 117.828 0.163 18225 10766 1 31 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.112 -0.610 18225 10767 1 31 . 1 1 38 38 VAL C C 38 177.962 177.962 176.115 1.847 18225 10768 1 31 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.821 3.334 18225 10769 1 31 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.715 -2.300 18225 10770 1 31 . 1 1 38 38 VAL H H 38 8.414 8.414 8.078 0.336 18225 10771 1 31 . 1 1 39 39 PHE N N 39 119.830 119.830 123.486 -3.656 18225 10772 1 31 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.465 -0.287 18225 10773 1 31 . 1 1 39 39 PHE C C 39 178.233 178.233 175.208 3.025 18225 10774 1 31 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.001 1.502 18225 10775 1 31 . 1 1 39 39 PHE CB C 39 39.058 39.058 40.811 -1.753 18225 10776 1 31 . 1 1 39 39 PHE H H 39 8.337 8.337 7.843 0.494 18225 10777 1 31 . 1 1 40 40 LEU N N 40 119.985 119.985 115.925 4.060 18225 10778 1 31 . 1 1 40 40 LEU HA H 40 3.966 3.966 3.908 0.058 18225 10779 1 31 . 1 1 40 40 LEU C C 40 179.279 179.279 176.296 2.983 18225 10780 1 31 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.344 2.528 18225 10781 1 31 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.246 1.141 18225 10782 1 31 . 1 1 40 40 LEU H H 40 8.603 8.603 7.222 1.381 18225 10783 1 31 . 1 1 41 41 LEU N N 41 118.649 118.649 118.479 0.170 18225 10784 1 31 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.427 -0.383 18225 10785 1 31 . 1 1 41 41 LEU C C 41 178.670 178.670 178.697 -0.027 18225 10786 1 31 . 1 1 41 41 LEU CA C 41 57.683 57.683 56.342 1.341 18225 10787 1 31 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.881 -0.950 18225 10788 1 31 . 1 1 41 41 LEU H H 41 8.486 8.486 7.257 1.229 18225 10789 1 31 . 1 1 42 42 GLY N N 42 105.262 105.262 108.779 -3.517 18225 10790 1 31 . 1 1 42 42 GLY C C 42 174.814 174.814 175.258 -0.444 18225 10791 1 31 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.656 -1.251 18225 10792 1 31 . 1 1 42 42 GLY H H 42 8.289 8.289 8.532 -0.243 18225 10793 1 31 . 1 1 43 43 THR N N 43 111.955 111.955 111.628 0.327 18225 10794 1 31 . 1 1 43 43 THR HA H 43 4.243 4.243 4.471 -0.228 18225 10795 1 31 . 1 1 43 43 THR C C 43 175.888 175.888 175.515 0.373 18225 10796 1 31 . 1 1 43 43 THR CA C 43 63.505 63.505 63.421 0.084 18225 10797 1 31 . 1 1 43 43 THR CB C 43 69.598 69.598 69.305 0.293 18225 10798 1 31 . 1 1 43 43 THR H H 43 7.891 7.891 7.749 0.142 18225 10799 1 31 . 1 1 44 44 THR N N 44 111.997 111.997 119.279 -7.282 18225 10800 1 31 . 1 1 44 44 THR HA H 44 4.320 4.320 4.164 0.156 18225 10801 1 31 . 1 1 44 44 THR C C 44 175.543 175.543 175.305 0.238 18225 10802 1 31 . 1 1 44 44 THR CA C 44 63.009 63.009 64.933 -1.924 18225 10803 1 31 . 1 1 44 44 THR CB C 44 69.881 69.881 68.811 1.070 18225 10804 1 31 . 1 1 44 44 THR H H 44 7.740 7.740 8.023 -0.283 18225 10805 1 31 . 1 1 45 45 GLY N N 45 109.564 109.564 108.500 1.064 18225 10806 1 31 . 1 1 45 45 GLY C C 45 174.928 174.928 173.306 1.622 18225 10807 1 31 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.786 1.633 18225 10808 1 31 . 1 1 45 45 GLY H H 45 8.243 8.243 7.582 0.661 18225 10809 1 31 . 1 1 46 46 ASN N N 46 117.851 117.851 117.041 0.810 18225 10810 1 31 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.722 -0.005 18225 10811 1 31 . 1 1 46 46 ASN C C 46 176.127 176.127 175.085 1.042 18225 10812 1 31 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.912 1.702 18225 10813 1 31 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.820 -0.509 18225 10814 1 31 . 1 1 46 46 ASN H H 46 8.170 8.170 7.542 0.628 18225 10815 1 31 . 1 1 47 47 GLY N N 47 108.287 108.287 114.007 -5.720 18225 10816 1 31 . 1 1 47 47 GLY C C 47 174.612 174.612 174.778 -0.166 18225 10817 1 31 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.392 1.849 18225 10818 1 31 . 1 1 47 47 GLY H H 47 8.663 8.663 8.472 0.191 18225 10819 1 31 . 1 1 48 48 LEU N N 48 120.479 120.479 121.917 -1.438 18225 10820 1 31 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.979 -0.711 18225 10821 1 31 . 1 1 48 48 LEU C C 48 179.407 179.407 176.927 2.480 18225 10822 1 31 . 1 1 48 48 LEU CA C 48 57.592 57.592 54.918 2.674 18225 10823 1 31 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.221 0.517 18225 10824 1 31 . 1 1 48 48 LEU H H 48 8.149 8.149 8.264 -0.115 18225 10825 1 31 . 1 1 49 49 VAL N N 49 119.968 119.968 113.386 6.582 18225 10826 1 31 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.303 -0.487 18225 10827 1 31 . 1 1 49 49 VAL C C 49 177.444 177.444 176.023 1.421 18225 10828 1 31 . 1 1 49 49 VAL CA C 49 65.943 65.943 62.483 3.460 18225 10829 1 31 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.289 -0.611 18225 10830 1 31 . 1 1 49 49 VAL H H 49 7.969 7.969 7.758 0.211 18225 10831 1 31 . 1 1 50 50 LEU N N 50 119.329 119.329 120.474 -1.145 18225 10832 1 31 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.740 -0.728 18225 10833 1 31 . 1 1 50 50 LEU C C 50 178.085 178.085 176.849 1.236 18225 10834 1 31 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.701 2.216 18225 10835 1 31 . 1 1 50 50 LEU CB C 50 41.706 41.706 43.125 -1.419 18225 10836 1 31 . 1 1 50 50 LEU H H 50 7.814 7.814 7.838 -0.024 18225 10837 1 31 . 1 1 51 51 TRP N N 51 118.186 118.186 120.400 -2.214 18225 10838 1 31 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.816 -0.327 18225 10839 1 31 . 1 1 51 51 TRP C C 51 177.377 177.377 176.701 0.676 18225 10840 1 31 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.537 0.521 18225 10841 1 31 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.295 -0.514 18225 10842 1 31 . 1 1 51 51 TRP H H 51 8.125 8.125 7.573 0.552 18225 10843 1 31 . 1 1 52 52 THR N N 52 113.180 113.180 113.377 -0.197 18225 10844 1 31 . 1 1 52 52 THR HA H 52 3.787 3.787 3.507 0.280 18225 10845 1 31 . 1 1 52 52 THR C C 52 176.309 176.309 175.715 0.594 18225 10846 1 31 . 1 1 52 52 THR CA C 52 66.473 66.473 62.961 3.512 18225 10847 1 31 . 1 1 52 52 THR CB C 52 68.865 68.865 67.873 0.992 18225 10848 1 31 . 1 1 52 52 THR H H 52 8.079 8.079 7.688 0.391 18225 10849 1 31 . 1 1 53 53 VAL N N 53 119.953 119.953 120.660 -0.707 18225 10850 1 31 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.915 -0.267 18225 10851 1 31 . 1 1 53 53 VAL C C 53 177.252 177.252 176.761 0.491 18225 10852 1 31 . 1 1 53 53 VAL CA C 53 66.086 66.086 64.453 1.633 18225 10853 1 31 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.631 0.073 18225 10854 1 31 . 1 1 53 53 VAL H H 53 7.913 7.913 7.970 -0.057 18225 10855 1 31 . 1 1 54 54 PHE N N 54 118.204 118.204 120.103 -1.899 18225 10856 1 31 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.633 -0.386 18225 10857 1 31 . 1 1 54 54 PHE C C 54 177.144 177.144 176.656 0.488 18225 10858 1 31 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.889 0.565 18225 10859 1 31 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.383 0.734 18225 10860 1 31 . 1 1 54 54 PHE H H 54 8.030 8.030 8.356 -0.326 18225 10861 1 31 . 1 1 55 55 ARG N N 55 117.725 117.725 119.121 -1.396 18225 10862 1 31 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.346 -0.462 18225 10863 1 31 . 1 1 55 55 ARG C C 55 177.443 177.443 178.132 -0.689 18225 10864 1 31 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.265 0.289 18225 10865 1 31 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.642 0.165 18225 10866 1 31 . 1 1 55 55 ARG H H 55 8.034 8.034 8.108 -0.074 18225 10867 1 31 . 1 1 56 56 LYS N N 56 118.622 118.622 118.785 -0.163 18225 10868 1 31 . 1 1 56 56 LYS HA H 56 4.164 4.164 3.965 0.199 18225 10869 1 31 . 1 1 56 56 LYS C C 56 177.418 177.418 177.292 0.126 18225 10870 1 31 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.097 -0.580 18225 10871 1 31 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.168 1.640 18225 10872 1 31 . 1 1 56 56 LYS H H 56 7.804 7.804 7.417 0.387 18225 10873 1 31 . 1 1 57 57 LYS N N 57 118.937 118.937 120.329 -1.392 18225 10874 1 31 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.220 0.038 18225 10875 1 31 . 1 1 57 57 LYS C C 57 177.029 177.029 178.346 -1.317 18225 10876 1 31 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.290 -1.680 18225 10877 1 31 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.181 0.697 18225 10878 1 31 . 1 1 57 57 LYS H H 57 7.974 7.974 7.712 0.262 18225 10879 1 31 . 1 1 58 58 GLY N N 58 107.785 107.785 107.432 0.353 18225 10880 1 31 . 1 1 58 58 GLY C C 58 173.543 173.543 174.019 -0.476 18225 10881 1 31 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.587 -0.114 18225 10882 1 31 . 1 1 58 58 GLY H H 58 8.136 8.136 7.853 0.283 18225 10883 1 31 . 1 1 59 59 HIS N N 59 117.024 117.024 114.791 2.233 18225 10884 1 31 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.776 -0.154 18225 10885 1 31 . 1 1 59 59 HIS C C 59 174.183 174.183 174.924 -0.741 18225 10886 1 31 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.459 -0.178 18225 10887 1 31 . 1 1 59 59 HIS CB C 59 29.081 29.081 31.131 -2.050 18225 10888 1 31 . 1 1 59 59 HIS H H 59 8.163 8.163 8.445 -0.282 18225 10889 1 31 . 1 1 60 60 HIS N N 60 118.841 118.841 118.369 0.472 18225 10890 1 31 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.406 0.224 18225 10891 1 31 . 1 1 60 60 HIS C C 60 174.157 174.157 175.644 -1.487 18225 10892 1 31 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.080 -0.739 18225 10893 1 31 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.474 -1.370 18225 10894 1 31 . 1 1 60 60 HIS H H 60 8.507 8.507 7.992 0.515 18225 10895 1 31 . 1 1 61 61 HIS N N 61 119.636 119.636 118.492 1.144 18225 10896 1 31 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.474 0.180 18225 10897 1 31 . 1 1 61 61 HIS C C 61 174.095 174.095 176.400 -2.305 18225 10898 1 31 . 1 1 61 61 HIS CA C 61 55.329 55.329 57.437 -2.108 18225 10899 1 31 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.202 -1.968 18225 10900 1 31 . 1 1 61 61 HIS H H 61 8.613 8.613 8.440 0.173 18225 10901 1 31 . 1 1 62 62 HIS N N 62 120.286 120.286 116.036 4.250 18225 10902 1 31 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.800 -0.140 18225 10903 1 31 . 1 1 62 62 HIS C C 62 173.928 173.928 174.969 -1.041 18225 10904 1 31 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.137 -0.781 18225 10905 1 31 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.488 -0.159 18225 10906 1 31 . 1 1 62 62 HIS H H 62 8.680 8.680 8.465 0.215 18225 10907 1 31 . 1 1 63 63 HIS N N 63 120.408 120.408 115.880 4.528 18225 10908 1 31 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.599 0.050 18225 10909 1 31 . 1 1 63 63 HIS C C 63 173.437 173.437 173.876 -0.439 18225 10910 1 31 . 1 1 63 63 HIS CA C 63 55.564 55.564 54.718 0.846 18225 10911 1 31 . 1 1 63 63 HIS CB C 63 29.483 29.483 27.736 1.747 18225 10912 1 31 . 1 1 63 63 HIS H H 63 8.541 8.541 8.303 0.238 18225 10913 1 32 . 1 1 2 2 GLU N N 2 123.432 123.432 123.053 0.379 18225 10914 1 32 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.249 0.160 18225 10915 1 32 . 1 1 2 2 GLU C C 2 175.510 175.510 176.206 -0.696 18225 10916 1 32 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.020 0.196 18225 10917 1 32 . 1 1 2 2 GLU CB C 2 29.538 29.538 27.844 1.694 18225 10918 1 32 . 1 1 2 2 GLU H H 2 8.824 8.824 8.549 0.275 18225 10919 1 32 . 1 1 3 3 GLU N N 3 121.813 121.813 120.705 1.108 18225 10920 1 32 . 1 1 3 3 GLU HA H 3 4.378 4.378 3.954 0.424 18225 10921 1 32 . 1 1 3 3 GLU C C 3 176.299 176.299 177.918 -1.619 18225 10922 1 32 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.782 -1.490 18225 10923 1 32 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.155 -0.703 18225 10924 1 32 . 1 1 3 3 GLU H H 3 8.546 8.546 8.461 0.085 18225 10925 1 32 . 1 1 4 4 GLY N N 4 109.619 109.619 111.898 -2.279 18225 10926 1 32 . 1 1 4 4 GLY C C 4 174.449 174.449 173.850 0.599 18225 10927 1 32 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.915 0.615 18225 10928 1 32 . 1 1 4 4 GLY H H 4 8.463 8.463 8.670 -0.207 18225 10929 1 32 . 1 1 5 5 GLY N N 5 108.241 108.241 109.069 -0.828 18225 10930 1 32 . 1 1 5 5 GLY C C 5 173.965 173.965 173.675 0.290 18225 10931 1 32 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.870 0.582 18225 10932 1 32 . 1 1 5 5 GLY H H 5 8.220 8.220 7.993 0.227 18225 10933 1 32 . 1 1 6 6 ASP N N 6 119.184 119.184 121.192 -2.008 18225 10934 1 32 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.531 0.067 18225 10935 1 32 . 1 1 6 6 ASP C C 6 175.801 175.801 176.392 -0.591 18225 10936 1 32 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.454 -1.542 18225 10937 1 32 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.154 -1.819 18225 10938 1 32 . 1 1 6 6 ASP H H 6 8.329 8.329 8.582 -0.253 18225 10939 1 32 . 1 1 7 7 PHE N N 7 119.589 119.589 119.583 0.006 18225 10940 1 32 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.639 -0.159 18225 10941 1 32 . 1 1 7 7 PHE C C 7 175.881 175.881 175.316 0.565 18225 10942 1 32 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.490 0.331 18225 10943 1 32 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.599 -0.517 18225 10944 1 32 . 1 1 7 7 PHE H H 7 8.342 8.342 7.614 0.728 18225 10945 1 32 . 1 1 8 8 ASP N N 8 118.430 118.430 121.574 -3.144 18225 10946 1 32 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.052 0.404 18225 10947 1 32 . 1 1 8 8 ASP C C 8 175.642 175.642 175.244 0.398 18225 10948 1 32 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.026 -0.423 18225 10949 1 32 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.389 -2.805 18225 10950 1 32 . 1 1 8 8 ASP H H 8 8.223 8.223 8.338 -0.115 18225 10951 1 32 . 1 1 9 9 ASN N N 9 117.097 117.097 120.280 -3.183 18225 10952 1 32 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.323 0.236 18225 10953 1 32 . 1 1 9 9 ASN C C 9 175.264 175.264 173.501 1.763 18225 10954 1 32 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.538 0.306 18225 10955 1 32 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.538 -0.823 18225 10956 1 32 . 1 1 9 9 ASN H H 9 8.069 8.069 8.354 -0.285 18225 10957 1 32 . 1 1 10 10 TYR N N 10 119.007 119.007 117.700 1.307 18225 10958 1 32 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.575 -0.226 18225 10959 1 32 . 1 1 10 10 TYR C C 10 175.387 175.387 174.736 0.651 18225 10960 1 32 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.490 0.704 18225 10961 1 32 . 1 1 10 10 TYR CB C 10 38.828 38.828 39.485 -0.657 18225 10962 1 32 . 1 1 10 10 TYR H H 10 7.901 7.901 7.822 0.079 18225 10963 1 32 . 1 1 11 11 TYR N N 11 117.992 117.992 119.934 -1.942 18225 10964 1 32 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.264 0.179 18225 10965 1 32 . 1 1 11 11 TYR C C 11 175.765 175.765 176.208 -0.443 18225 10966 1 32 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.151 0.221 18225 10967 1 32 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.870 -0.076 18225 10968 1 32 . 1 1 11 11 TYR H H 11 7.885 7.885 7.898 -0.013 18225 10969 1 32 . 1 1 12 12 GLY N N 12 108.601 108.601 110.168 -1.567 18225 10970 1 32 . 1 1 12 12 GLY C C 12 173.934 173.934 174.361 -0.427 18225 10971 1 32 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.355 0.134 18225 10972 1 32 . 1 1 12 12 GLY H H 12 7.861 7.861 8.051 -0.190 18225 10973 1 32 . 1 1 13 13 ALA N N 13 122.926 122.926 121.875 1.051 18225 10974 1 32 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.215 0.064 18225 10975 1 32 . 1 1 13 13 ALA C C 13 177.457 177.457 178.611 -1.154 18225 10976 1 32 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.396 -0.614 18225 10977 1 32 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.430 0.017 18225 10978 1 32 . 1 1 13 13 ALA H H 13 7.985 7.985 8.007 -0.022 18225 10979 1 32 . 1 1 14 14 ASP N N 14 117.380 117.380 117.812 -0.432 18225 10980 1 32 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.368 0.272 18225 10981 1 32 . 1 1 14 14 ASP C C 14 175.428 175.428 178.163 -2.735 18225 10982 1 32 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.583 -2.911 18225 10983 1 32 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.624 -1.259 18225 10984 1 32 . 1 1 14 14 ASP H H 14 8.330 8.330 8.643 -0.313 18225 10985 1 32 . 1 1 15 15 ASN N N 15 118.465 118.465 116.086 2.379 18225 10986 1 32 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.493 0.146 18225 10987 1 32 . 1 1 15 15 ASN C C 15 175.467 175.467 176.092 -0.625 18225 10988 1 32 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.076 -1.419 18225 10989 1 32 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.828 0.140 18225 10990 1 32 . 1 1 15 15 ASN H H 15 8.207 8.207 7.633 0.574 18225 10991 1 32 . 1 1 16 16 GLN N N 16 119.741 119.741 117.394 2.347 18225 10992 1 32 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.531 -0.216 18225 10993 1 32 . 1 1 16 16 GLN C C 16 176.350 176.350 175.207 1.143 18225 10994 1 32 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.403 1.237 18225 10995 1 32 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.626 0.470 18225 10996 1 32 . 1 1 16 16 GLN H H 16 8.292 8.292 7.784 0.508 18225 10997 1 32 . 1 1 17 17 SER N N 17 115.772 115.772 115.476 0.296 18225 10998 1 32 . 1 1 17 17 SER HA H 17 4.390 4.390 4.654 -0.264 18225 10999 1 32 . 1 1 17 17 SER C C 17 174.799 174.799 173.077 1.722 18225 11000 1 32 . 1 1 17 17 SER CA C 17 59.165 59.165 56.764 2.401 18225 11001 1 32 . 1 1 17 17 SER CB C 17 63.651 63.651 65.010 -1.359 18225 11002 1 32 . 1 1 17 17 SER H H 17 8.224 8.224 7.663 0.561 18225 11003 1 32 . 1 1 18 18 GLU N N 18 121.211 121.211 121.038 0.173 18225 11004 1 32 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.263 0.055 18225 11005 1 32 . 1 1 18 18 GLU C C 18 176.201 176.201 175.515 0.686 18225 11006 1 32 . 1 1 18 18 GLU CA C 18 56.725 56.725 58.183 -1.458 18225 11007 1 32 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.480 -0.514 18225 11008 1 32 . 1 1 18 18 GLU H H 18 8.285 8.285 8.764 -0.479 18225 11009 1 32 . 1 1 19 19 CYS N N 19 118.653 118.653 121.802 -3.149 18225 11010 1 32 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.509 -0.086 18225 11011 1 32 . 1 1 19 19 CYS C C 19 174.698 174.698 174.090 0.608 18225 11012 1 32 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.175 -0.100 18225 11013 1 32 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.384 -1.534 18225 11014 1 32 . 1 1 19 19 CYS H H 19 8.202 8.202 8.487 -0.285 18225 11015 1 32 . 1 1 20 20 GLU N N 20 121.851 121.851 118.795 3.056 18225 11016 1 32 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.233 0.032 18225 11017 1 32 . 1 1 20 20 GLU C C 20 176.100 176.100 175.088 1.012 18225 11018 1 32 . 1 1 20 20 GLU CA C 20 56.822 56.822 55.855 0.967 18225 11019 1 32 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.503 -1.526 18225 11020 1 32 . 1 1 20 20 GLU H H 20 8.349 8.349 8.148 0.201 18225 11021 1 32 . 1 1 21 21 TYR N N 21 118.491 118.491 118.472 0.019 18225 11022 1 32 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.023 -0.605 18225 11023 1 32 . 1 1 21 21 TYR C C 21 175.881 175.881 175.247 0.634 18225 11024 1 32 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.246 0.485 18225 11025 1 32 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.018 -0.392 18225 11026 1 32 . 1 1 21 21 TYR H H 21 7.974 7.974 7.808 0.166 18225 11027 1 32 . 1 1 22 22 THR N N 22 112.161 112.161 112.350 -0.189 18225 11028 1 32 . 1 1 22 22 THR HA H 22 4.105 4.105 4.397 -0.292 18225 11029 1 32 . 1 1 22 22 THR C C 22 174.666 174.666 174.053 0.613 18225 11030 1 32 . 1 1 22 22 THR CA C 22 63.190 63.190 63.319 -0.130 18225 11031 1 32 . 1 1 22 22 THR CB C 22 69.306 69.306 69.332 -0.026 18225 11032 1 32 . 1 1 22 22 THR H H 22 7.747 7.747 8.000 -0.253 18225 11033 1 32 . 1 1 23 23 ASP N N 23 120.529 120.529 123.978 -3.449 18225 11034 1 32 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.749 -0.095 18225 11035 1 32 . 1 1 23 23 ASP C C 23 176.119 176.119 175.804 0.315 18225 11036 1 32 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.245 -0.342 18225 11037 1 32 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.229 -1.091 18225 11038 1 32 . 1 1 23 23 ASP H H 23 8.114 8.114 8.505 -0.391 18225 11039 1 32 . 1 1 24 24 TRP N N 24 121.466 121.466 116.252 5.214 18225 11040 1 32 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.863 -0.387 18225 11041 1 32 . 1 1 24 24 TRP C C 24 176.578 176.578 175.232 1.346 18225 11042 1 32 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.141 3.170 18225 11043 1 32 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.588 0.598 18225 11044 1 32 . 1 1 24 24 TRP H H 24 8.034 8.034 7.423 0.611 18225 11045 1 32 . 1 1 25 25 LYS N N 25 119.430 119.430 122.540 -3.110 18225 11046 1 32 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.424 0.621 18225 11047 1 32 . 1 1 25 25 LYS C C 25 176.798 176.798 176.231 0.567 18225 11048 1 32 . 1 1 25 25 LYS CA C 25 57.761 57.761 58.905 -1.144 18225 11049 1 32 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.316 0.093 18225 11050 1 32 . 1 1 25 25 LYS H H 25 7.880 7.880 7.653 0.227 18225 11051 1 32 . 1 1 26 26 SER N N 26 113.780 113.780 110.581 3.199 18225 11052 1 32 . 1 1 26 26 SER HA H 26 4.461 4.461 4.319 0.142 18225 11053 1 32 . 1 1 26 26 SER C C 26 174.957 174.957 173.925 1.032 18225 11054 1 32 . 1 1 26 26 SER CA C 26 58.760 58.760 57.738 1.022 18225 11055 1 32 . 1 1 26 26 SER CB C 26 63.889 63.889 63.722 0.167 18225 11056 1 32 . 1 1 26 26 SER H H 26 7.893 7.893 8.014 -0.121 18225 11057 1 32 . 1 1 27 27 SER N N 27 116.730 116.730 118.052 -1.322 18225 11058 1 32 . 1 1 27 27 SER HA H 27 4.328 4.328 4.302 0.026 18225 11059 1 32 . 1 1 27 27 SER C C 27 175.563 175.563 174.151 1.412 18225 11060 1 32 . 1 1 27 27 SER CA C 27 59.856 59.856 58.474 1.382 18225 11061 1 32 . 1 1 27 27 SER CB C 27 63.819 63.819 62.443 1.376 18225 11062 1 32 . 1 1 27 27 SER H H 27 8.137 8.137 8.546 -0.409 18225 11063 1 32 . 1 1 28 28 GLY N N 28 110.734 110.734 106.227 4.507 18225 11064 1 32 . 1 1 28 28 GLY C C 28 174.314 174.314 173.817 0.497 18225 11065 1 32 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.957 1.168 18225 11066 1 32 . 1 1 28 28 GLY H H 28 8.477 8.477 7.809 0.668 18225 11067 1 32 . 1 1 29 29 ALA N N 29 121.690 121.690 122.357 -0.667 18225 11068 1 32 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.630 -0.341 18225 11069 1 32 . 1 1 29 29 ALA C C 29 177.330 177.330 178.677 -1.347 18225 11070 1 32 . 1 1 29 29 ALA CA C 29 53.174 53.174 54.525 -1.351 18225 11071 1 32 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.181 0.703 18225 11072 1 32 . 1 1 29 29 ALA H H 29 8.189 8.189 8.133 0.056 18225 11073 1 32 . 1 1 30 30 LEU N N 30 117.292 117.292 115.472 1.820 18225 11074 1 32 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.706 -0.627 18225 11075 1 32 . 1 1 30 30 LEU C C 30 177.377 177.377 177.724 -0.347 18225 11076 1 32 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.385 1.849 18225 11077 1 32 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.054 0.360 18225 11078 1 32 . 1 1 30 30 LEU H H 30 7.873 7.873 7.989 -0.116 18225 11079 1 32 . 1 1 31 31 ILE N N 31 116.517 116.517 119.831 -3.314 18225 11080 1 32 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.124 -0.241 18225 11081 1 32 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.386 0.880 18225 11082 1 32 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.227 -0.471 18225 11083 1 32 . 1 1 31 31 ILE H H 31 8.262 8.262 8.012 0.250 18225 11084 1 32 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.574 -0.362 18225 11085 1 32 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.103 2.890 18225 11086 1 32 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.350 0.642 18225 11087 1 32 . 1 1 33 33 ALA N N 33 118.208 118.208 120.665 -2.457 18225 11088 1 32 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.505 -0.439 18225 11089 1 32 . 1 1 33 33 ALA C C 33 178.814 178.814 178.005 0.809 18225 11090 1 32 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.003 2.686 18225 11091 1 32 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.645 -2.266 18225 11092 1 32 . 1 1 33 33 ALA H H 33 7.613 7.613 7.574 0.039 18225 11093 1 32 . 1 1 34 34 ILE N N 34 117.730 117.730 117.972 -0.242 18225 11094 1 32 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.151 -0.486 18225 11095 1 32 . 1 1 34 34 ILE C C 34 177.826 177.826 176.816 1.010 18225 11096 1 32 . 1 1 34 34 ILE CA C 34 65.154 65.154 63.670 1.484 18225 11097 1 32 . 1 1 34 34 ILE CB C 34 37.283 37.283 39.322 -2.039 18225 11098 1 32 . 1 1 34 34 ILE H H 34 8.259 8.259 7.900 0.359 18225 11099 1 32 . 1 1 35 35 TYR N N 35 118.693 118.693 120.545 -1.852 18225 11100 1 32 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.367 -0.274 18225 11101 1 32 . 1 1 35 35 TYR C C 35 177.885 177.885 176.803 1.082 18225 11102 1 32 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.907 -0.269 18225 11103 1 32 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.296 -1.372 18225 11104 1 32 . 1 1 35 35 TYR H H 35 8.347 8.347 7.835 0.512 18225 11105 1 32 . 1 1 36 36 MET N N 36 117.356 117.356 119.709 -2.353 18225 11106 1 32 . 1 1 36 36 MET HA H 36 4.220 4.220 4.335 -0.115 18225 11107 1 32 . 1 1 36 36 MET C C 36 177.903 177.903 176.935 0.968 18225 11108 1 32 . 1 1 36 36 MET CA C 36 58.653 58.653 59.087 -0.434 18225 11109 1 32 . 1 1 36 36 MET CB C 36 32.172 32.172 32.955 -0.783 18225 11110 1 32 . 1 1 36 36 MET H H 36 8.252 8.252 7.920 0.332 18225 11111 1 32 . 1 1 37 37 LEU N N 37 119.978 119.978 116.388 3.590 18225 11112 1 32 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.217 -0.189 18225 11113 1 32 . 1 1 37 37 LEU C C 37 178.393 178.393 176.835 1.558 18225 11114 1 32 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.649 2.993 18225 11115 1 32 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.713 1.276 18225 11116 1 32 . 1 1 37 37 LEU H H 37 8.301 8.301 7.883 0.418 18225 11117 1 32 . 1 1 38 38 VAL N N 38 117.991 117.991 115.584 2.407 18225 11118 1 32 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.036 -0.534 18225 11119 1 32 . 1 1 38 38 VAL C C 38 177.962 177.962 176.085 1.877 18225 11120 1 32 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.904 4.251 18225 11121 1 32 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.295 -2.880 18225 11122 1 32 . 1 1 38 38 VAL H H 38 8.414 8.414 7.177 1.237 18225 11123 1 32 . 1 1 39 39 PHE N N 39 119.830 119.830 122.653 -2.823 18225 11124 1 32 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.046 0.132 18225 11125 1 32 . 1 1 39 39 PHE C C 39 178.233 178.233 175.936 2.297 18225 11126 1 32 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.522 -0.019 18225 11127 1 32 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.731 -0.673 18225 11128 1 32 . 1 1 39 39 PHE H H 39 8.337 8.337 7.649 0.688 18225 11129 1 32 . 1 1 40 40 LEU N N 40 119.985 119.985 113.147 6.838 18225 11130 1 32 . 1 1 40 40 LEU HA H 40 3.966 3.966 3.881 0.085 18225 11131 1 32 . 1 1 40 40 LEU C C 40 179.279 179.279 176.444 2.835 18225 11132 1 32 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.676 2.196 18225 11133 1 32 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.605 0.782 18225 11134 1 32 . 1 1 40 40 LEU H H 40 8.603 8.603 7.388 1.215 18225 11135 1 32 . 1 1 41 41 LEU N N 41 118.649 118.649 117.242 1.407 18225 11136 1 32 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.552 -0.508 18225 11137 1 32 . 1 1 41 41 LEU C C 41 178.670 178.670 177.414 1.256 18225 11138 1 32 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.754 2.929 18225 11139 1 32 . 1 1 41 41 LEU CB C 41 41.931 41.931 43.331 -1.400 18225 11140 1 32 . 1 1 41 41 LEU H H 41 8.486 8.486 6.944 1.542 18225 11141 1 32 . 1 1 42 42 GLY N N 42 105.262 105.262 108.286 -3.024 18225 11142 1 32 . 1 1 42 42 GLY C C 42 174.814 174.814 174.799 0.015 18225 11143 1 32 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.960 -0.555 18225 11144 1 32 . 1 1 42 42 GLY H H 42 8.289 8.289 8.306 -0.017 18225 11145 1 32 . 1 1 43 43 THR N N 43 111.955 111.955 112.300 -0.345 18225 11146 1 32 . 1 1 43 43 THR HA H 43 4.243 4.243 4.379 -0.136 18225 11147 1 32 . 1 1 43 43 THR C C 43 175.888 175.888 176.129 -0.241 18225 11148 1 32 . 1 1 43 43 THR CA C 43 63.505 63.505 62.962 0.542 18225 11149 1 32 . 1 1 43 43 THR CB C 43 69.598 69.598 69.069 0.529 18225 11150 1 32 . 1 1 43 43 THR H H 43 7.891 7.891 7.801 0.090 18225 11151 1 32 . 1 1 44 44 THR N N 44 111.997 111.997 119.665 -7.668 18225 11152 1 32 . 1 1 44 44 THR HA H 44 4.320 4.320 4.041 0.279 18225 11153 1 32 . 1 1 44 44 THR C C 44 175.543 175.543 176.030 -0.487 18225 11154 1 32 . 1 1 44 44 THR CA C 44 63.009 63.009 67.137 -4.128 18225 11155 1 32 . 1 1 44 44 THR CB C 44 69.881 69.881 68.703 1.178 18225 11156 1 32 . 1 1 44 44 THR H H 44 7.740 7.740 8.086 -0.346 18225 11157 1 32 . 1 1 45 45 GLY N N 45 109.564 109.564 105.905 3.659 18225 11158 1 32 . 1 1 45 45 GLY C C 45 174.928 174.928 174.299 0.629 18225 11159 1 32 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.676 0.744 18225 11160 1 32 . 1 1 45 45 GLY H H 45 8.243 8.243 8.649 -0.406 18225 11161 1 32 . 1 1 46 46 ASN N N 46 117.851 117.851 118.642 -0.791 18225 11162 1 32 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.787 -0.070 18225 11163 1 32 . 1 1 46 46 ASN C C 46 176.127 176.127 173.831 2.296 18225 11164 1 32 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.125 1.489 18225 11165 1 32 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.336 -0.024 18225 11166 1 32 . 1 1 46 46 ASN H H 46 8.170 8.170 7.433 0.737 18225 11167 1 32 . 1 1 47 47 GLY N N 47 108.287 108.287 108.824 -0.537 18225 11168 1 32 . 1 1 47 47 GLY C C 47 174.612 174.612 174.173 0.439 18225 11169 1 32 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.414 1.827 18225 11170 1 32 . 1 1 47 47 GLY H H 47 8.663 8.663 8.422 0.241 18225 11171 1 32 . 1 1 48 48 LEU N N 48 120.479 120.479 121.324 -0.845 18225 11172 1 32 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.827 -0.559 18225 11173 1 32 . 1 1 48 48 LEU C C 48 179.407 179.407 177.583 1.824 18225 11174 1 32 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.563 2.029 18225 11175 1 32 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.342 -0.604 18225 11176 1 32 . 1 1 48 48 LEU H H 48 8.149 8.149 7.471 0.678 18225 11177 1 32 . 1 1 49 49 VAL N N 49 119.968 119.968 117.936 2.032 18225 11178 1 32 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.917 -0.101 18225 11179 1 32 . 1 1 49 49 VAL C C 49 177.444 177.444 176.626 0.818 18225 11180 1 32 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.163 0.780 18225 11181 1 32 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.805 -0.127 18225 11182 1 32 . 1 1 49 49 VAL H H 49 7.969 7.969 7.912 0.057 18225 11183 1 32 . 1 1 50 50 LEU N N 50 119.329 119.329 115.559 3.770 18225 11184 1 32 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.610 -0.598 18225 11185 1 32 . 1 1 50 50 LEU C C 50 178.085 178.085 177.760 0.325 18225 11186 1 32 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.908 2.009 18225 11187 1 32 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.671 0.035 18225 11188 1 32 . 1 1 50 50 LEU H H 50 7.814 7.814 7.691 0.123 18225 11189 1 32 . 1 1 51 51 TRP N N 51 118.186 118.186 122.223 -4.037 18225 11190 1 32 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.631 -0.142 18225 11191 1 32 . 1 1 51 51 TRP C C 51 177.377 177.377 178.157 -0.780 18225 11192 1 32 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.759 0.299 18225 11193 1 32 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.508 0.273 18225 11194 1 32 . 1 1 51 51 TRP H H 51 8.125 8.125 7.710 0.415 18225 11195 1 32 . 1 1 52 52 THR N N 52 113.180 113.180 114.681 -1.501 18225 11196 1 32 . 1 1 52 52 THR HA H 52 3.787 3.787 2.675 1.112 18225 11197 1 32 . 1 1 52 52 THR C C 52 176.309 176.309 176.066 0.243 18225 11198 1 32 . 1 1 52 52 THR CA C 52 66.473 66.473 65.592 0.881 18225 11199 1 32 . 1 1 52 52 THR CB C 52 68.865 68.865 67.922 0.943 18225 11200 1 32 . 1 1 52 52 THR H H 52 8.079 8.079 7.951 0.128 18225 11201 1 32 . 1 1 53 53 VAL N N 53 119.953 119.953 119.079 0.874 18225 11202 1 32 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.790 -0.142 18225 11203 1 32 . 1 1 53 53 VAL C C 53 177.252 177.252 176.678 0.574 18225 11204 1 32 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.041 1.045 18225 11205 1 32 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.542 0.162 18225 11206 1 32 . 1 1 53 53 VAL H H 53 7.913 7.913 7.678 0.235 18225 11207 1 32 . 1 1 54 54 PHE N N 54 118.204 118.204 119.348 -1.144 18225 11208 1 32 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.273 -0.026 18225 11209 1 32 . 1 1 54 54 PHE C C 54 177.144 177.144 175.331 1.813 18225 11210 1 32 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.381 1.073 18225 11211 1 32 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.715 0.401 18225 11212 1 32 . 1 1 54 54 PHE H H 54 8.030 8.030 8.436 -0.406 18225 11213 1 32 . 1 1 55 55 ARG N N 55 117.725 117.725 118.216 -0.491 18225 11214 1 32 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.328 -0.444 18225 11215 1 32 . 1 1 55 55 ARG C C 55 177.443 177.443 176.679 0.764 18225 11216 1 32 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.145 0.409 18225 11217 1 32 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.535 -0.728 18225 11218 1 32 . 1 1 55 55 ARG H H 55 8.034 8.034 7.401 0.633 18225 11219 1 32 . 1 1 56 56 LYS N N 56 118.622 118.622 118.521 0.101 18225 11220 1 32 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.103 0.061 18225 11221 1 32 . 1 1 56 56 LYS C C 56 177.418 177.418 178.618 -1.200 18225 11222 1 32 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.691 -0.174 18225 11223 1 32 . 1 1 56 56 LYS CB C 56 32.808 32.808 31.858 0.950 18225 11224 1 32 . 1 1 56 56 LYS H H 56 7.804 7.804 7.656 0.148 18225 11225 1 32 . 1 1 57 57 LYS N N 57 118.937 118.937 124.275 -5.338 18225 11226 1 32 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.262 -0.004 18225 11227 1 32 . 1 1 57 57 LYS C C 57 177.029 177.029 176.057 0.972 18225 11228 1 32 . 1 1 57 57 LYS CA C 57 56.610 56.610 55.696 0.914 18225 11229 1 32 . 1 1 57 57 LYS CB C 57 32.878 32.878 30.718 2.160 18225 11230 1 32 . 1 1 57 57 LYS H H 57 7.974 7.974 7.565 0.409 18225 11231 1 32 . 1 1 58 58 GLY N N 58 107.785 107.785 108.823 -1.038 18225 11232 1 32 . 1 1 58 58 GLY C C 58 173.543 173.543 174.404 -0.861 18225 11233 1 32 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.142 0.331 18225 11234 1 32 . 1 1 58 58 GLY H H 58 8.136 8.136 8.159 -0.023 18225 11235 1 32 . 1 1 59 59 HIS N N 59 117.024 117.024 117.010 0.014 18225 11236 1 32 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.028 0.594 18225 11237 1 32 . 1 1 59 59 HIS C C 59 174.183 174.183 175.255 -1.072 18225 11238 1 32 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.907 -1.626 18225 11239 1 32 . 1 1 59 59 HIS CB C 59 29.081 29.081 28.364 0.717 18225 11240 1 32 . 1 1 59 59 HIS H H 59 8.163 8.163 8.475 -0.312 18225 11241 1 32 . 1 1 60 60 HIS N N 60 118.841 118.841 116.086 2.755 18225 11242 1 32 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.655 -0.025 18225 11243 1 32 . 1 1 60 60 HIS C C 60 174.157 174.157 175.644 -1.487 18225 11244 1 32 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.426 -0.086 18225 11245 1 32 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.200 -1.096 18225 11246 1 32 . 1 1 60 60 HIS H H 60 8.507 8.507 8.335 0.172 18225 11247 1 32 . 1 1 61 61 HIS N N 61 119.636 119.636 118.207 1.429 18225 11248 1 32 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.101 0.553 18225 11249 1 32 . 1 1 61 61 HIS C C 61 174.095 174.095 175.525 -1.430 18225 11250 1 32 . 1 1 61 61 HIS CA C 61 55.329 55.329 57.415 -2.086 18225 11251 1 32 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.242 -1.008 18225 11252 1 32 . 1 1 61 61 HIS H H 61 8.613 8.613 8.328 0.285 18225 11253 1 32 . 1 1 62 62 HIS N N 62 120.286 120.286 119.428 0.858 18225 11254 1 32 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.525 0.135 18225 11255 1 32 . 1 1 62 62 HIS C C 62 173.928 173.928 174.776 -0.848 18225 11256 1 32 . 1 1 62 62 HIS CA C 62 55.356 55.356 58.239 -2.883 18225 11257 1 32 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.320 -0.991 18225 11258 1 32 . 1 1 62 62 HIS H H 62 8.680 8.680 8.558 0.122 18225 11259 1 32 . 1 1 63 63 HIS N N 63 120.408 120.408 113.306 7.102 18225 11260 1 32 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.701 -0.052 18225 11261 1 32 . 1 1 63 63 HIS C C 63 173.437 173.437 174.055 -0.618 18225 11262 1 32 . 1 1 63 63 HIS CA C 63 55.564 55.564 54.775 0.789 18225 11263 1 32 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.276 1.207 18225 11264 1 32 . 1 1 63 63 HIS H H 63 8.541 8.541 8.192 0.349 18225 11265 1 33 . 1 1 2 2 GLU N N 2 123.432 123.432 124.279 -0.847 18225 11266 1 33 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.447 -0.038 18225 11267 1 33 . 1 1 2 2 GLU C C 2 175.510 175.510 175.861 -0.351 18225 11268 1 33 . 1 1 2 2 GLU CA C 2 56.216 56.216 55.950 0.266 18225 11269 1 33 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.380 0.159 18225 11270 1 33 . 1 1 2 2 GLU H H 2 8.824 8.824 8.665 0.159 18225 11271 1 33 . 1 1 3 3 GLU N N 3 121.813 121.813 123.077 -1.264 18225 11272 1 33 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.178 0.200 18225 11273 1 33 . 1 1 3 3 GLU C C 3 176.299 176.299 176.789 -0.490 18225 11274 1 33 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.948 -0.656 18225 11275 1 33 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.895 -0.443 18225 11276 1 33 . 1 1 3 3 GLU H H 3 8.546 8.546 8.361 0.185 18225 11277 1 33 . 1 1 4 4 GLY N N 4 109.619 109.619 113.227 -3.608 18225 11278 1 33 . 1 1 4 4 GLY C C 4 174.449 174.449 173.956 0.493 18225 11279 1 33 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.983 0.547 18225 11280 1 33 . 1 1 4 4 GLY H H 4 8.463 8.463 8.503 -0.040 18225 11281 1 33 . 1 1 5 5 GLY N N 5 108.241 108.241 107.417 0.824 18225 11282 1 33 . 1 1 5 5 GLY C C 5 173.965 173.965 173.886 0.079 18225 11283 1 33 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.187 1.265 18225 11284 1 33 . 1 1 5 5 GLY H H 5 8.220 8.220 7.634 0.586 18225 11285 1 33 . 1 1 6 6 ASP N N 6 119.184 119.184 118.541 0.643 18225 11286 1 33 . 1 1 6 6 ASP HA H 6 4.598 4.598 3.463 1.135 18225 11287 1 33 . 1 1 6 6 ASP C C 6 175.801 175.801 173.935 1.866 18225 11288 1 33 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.275 -0.363 18225 11289 1 33 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.373 -1.038 18225 11290 1 33 . 1 1 6 6 ASP H H 6 8.329 8.329 8.214 0.115 18225 11291 1 33 . 1 1 7 7 PHE N N 7 119.589 119.589 113.656 5.933 18225 11292 1 33 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.240 0.240 18225 11293 1 33 . 1 1 7 7 PHE C C 7 175.881 175.881 174.852 1.029 18225 11294 1 33 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.791 1.030 18225 11295 1 33 . 1 1 7 7 PHE CB C 7 39.082 39.082 38.203 0.879 18225 11296 1 33 . 1 1 7 7 PHE H H 7 8.342 8.342 7.701 0.641 18225 11297 1 33 . 1 1 8 8 ASP N N 8 118.430 118.430 123.038 -4.608 18225 11298 1 33 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.832 -0.376 18225 11299 1 33 . 1 1 8 8 ASP C C 8 175.642 175.642 175.146 0.496 18225 11300 1 33 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.184 0.419 18225 11301 1 33 . 1 1 8 8 ASP CB C 8 38.584 38.584 42.045 -3.461 18225 11302 1 33 . 1 1 8 8 ASP H H 8 8.223 8.223 8.545 -0.322 18225 11303 1 33 . 1 1 9 9 ASN N N 9 117.097 117.097 121.994 -4.897 18225 11304 1 33 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.842 -0.283 18225 11305 1 33 . 1 1 9 9 ASN C C 9 175.264 175.264 176.854 -1.590 18225 11306 1 33 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.075 0.769 18225 11307 1 33 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.639 -0.924 18225 11308 1 33 . 1 1 9 9 ASN H H 9 8.069 8.069 8.870 -0.801 18225 11309 1 33 . 1 1 10 10 TYR N N 10 119.007 119.007 117.809 1.198 18225 11310 1 33 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.149 0.200 18225 11311 1 33 . 1 1 10 10 TYR C C 10 175.387 175.387 174.618 0.769 18225 11312 1 33 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.264 -1.070 18225 11313 1 33 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.565 1.263 18225 11314 1 33 . 1 1 10 10 TYR H H 10 7.901 7.901 8.339 -0.438 18225 11315 1 33 . 1 1 11 11 TYR N N 11 117.992 117.992 118.923 -0.931 18225 11316 1 33 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.224 0.219 18225 11317 1 33 . 1 1 11 11 TYR C C 11 175.765 175.765 176.427 -0.662 18225 11318 1 33 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.512 -1.140 18225 11319 1 33 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.660 0.134 18225 11320 1 33 . 1 1 11 11 TYR H H 11 7.885 7.885 8.136 -0.251 18225 11321 1 33 . 1 1 12 12 GLY N N 12 108.601 108.601 106.263 2.338 18225 11322 1 33 . 1 1 12 12 GLY C C 12 173.934 173.934 173.819 0.115 18225 11323 1 33 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.707 -0.218 18225 11324 1 33 . 1 1 12 12 GLY H H 12 7.861 7.861 8.349 -0.488 18225 11325 1 33 . 1 1 13 13 ALA N N 13 122.926 122.926 121.612 1.314 18225 11326 1 33 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.323 -0.044 18225 11327 1 33 . 1 1 13 13 ALA C C 13 177.457 177.457 177.470 -0.013 18225 11328 1 33 . 1 1 13 13 ALA CA C 13 52.782 52.782 51.747 1.035 18225 11329 1 33 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.684 -0.237 18225 11330 1 33 . 1 1 13 13 ALA H H 13 7.985 7.985 7.668 0.317 18225 11331 1 33 . 1 1 14 14 ASP N N 14 117.380 117.380 117.619 -0.239 18225 11332 1 33 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.414 0.226 18225 11333 1 33 . 1 1 14 14 ASP C C 14 175.428 175.428 176.434 -1.006 18225 11334 1 33 . 1 1 14 14 ASP CA C 14 53.672 53.672 55.785 -2.113 18225 11335 1 33 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.400 -1.035 18225 11336 1 33 . 1 1 14 14 ASP H H 14 8.330 8.330 8.839 -0.509 18225 11337 1 33 . 1 1 15 15 ASN N N 15 118.465 118.465 116.552 1.913 18225 11338 1 33 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.707 -0.068 18225 11339 1 33 . 1 1 15 15 ASN C C 15 175.467 175.467 175.812 -0.345 18225 11340 1 33 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.734 -1.077 18225 11341 1 33 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.138 -0.170 18225 11342 1 33 . 1 1 15 15 ASN H H 15 8.207 8.207 8.630 -0.423 18225 11343 1 33 . 1 1 16 16 GLN N N 16 119.741 119.741 118.613 1.128 18225 11344 1 33 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.581 -0.266 18225 11345 1 33 . 1 1 16 16 GLN C C 16 176.350 176.350 175.233 1.117 18225 11346 1 33 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.507 1.133 18225 11347 1 33 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.810 0.286 18225 11348 1 33 . 1 1 16 16 GLN H H 16 8.292 8.292 8.339 -0.047 18225 11349 1 33 . 1 1 17 17 SER N N 17 115.772 115.772 116.330 -0.558 18225 11350 1 33 . 1 1 17 17 SER HA H 17 4.390 4.390 4.685 -0.295 18225 11351 1 33 . 1 1 17 17 SER C C 17 174.799 174.799 173.230 1.569 18225 11352 1 33 . 1 1 17 17 SER CA C 17 59.165 59.165 57.158 2.007 18225 11353 1 33 . 1 1 17 17 SER CB C 17 63.651 63.651 65.637 -1.986 18225 11354 1 33 . 1 1 17 17 SER H H 17 8.224 8.224 7.736 0.488 18225 11355 1 33 . 1 1 18 18 GLU N N 18 121.211 121.211 120.621 0.590 18225 11356 1 33 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.139 0.179 18225 11357 1 33 . 1 1 18 18 GLU C C 18 176.201 176.201 175.198 1.003 18225 11358 1 33 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.451 -0.726 18225 11359 1 33 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.787 -0.822 18225 11360 1 33 . 1 1 18 18 GLU H H 18 8.285 8.285 8.719 -0.434 18225 11361 1 33 . 1 1 19 19 CYS N N 19 118.653 118.653 123.041 -4.388 18225 11362 1 33 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.197 0.226 18225 11363 1 33 . 1 1 19 19 CYS C C 19 174.698 174.698 174.250 0.448 18225 11364 1 33 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.615 -0.540 18225 11365 1 33 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.141 -1.291 18225 11366 1 33 . 1 1 19 19 CYS H H 19 8.202 8.202 7.351 0.851 18225 11367 1 33 . 1 1 20 20 GLU N N 20 121.851 121.851 116.723 5.128 18225 11368 1 33 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.349 -0.084 18225 11369 1 33 . 1 1 20 20 GLU C C 20 176.100 176.100 175.056 1.044 18225 11370 1 33 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.020 0.802 18225 11371 1 33 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.201 -1.225 18225 11372 1 33 . 1 1 20 20 GLU H H 20 8.349 8.349 6.955 1.394 18225 11373 1 33 . 1 1 21 21 TYR N N 21 118.491 118.491 118.229 0.262 18225 11374 1 33 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.887 -0.469 18225 11375 1 33 . 1 1 21 21 TYR C C 21 175.881 175.881 176.233 -0.352 18225 11376 1 33 . 1 1 21 21 TYR CA C 21 58.731 58.731 56.867 1.864 18225 11377 1 33 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.618 0.008 18225 11378 1 33 . 1 1 21 21 TYR H H 21 7.974 7.974 7.678 0.296 18225 11379 1 33 . 1 1 22 22 THR N N 22 112.161 112.161 111.568 0.593 18225 11380 1 33 . 1 1 22 22 THR HA H 22 4.105 4.105 4.474 -0.369 18225 11381 1 33 . 1 1 22 22 THR C C 22 174.666 174.666 174.230 0.436 18225 11382 1 33 . 1 1 22 22 THR CA C 22 63.190 63.190 62.571 0.619 18225 11383 1 33 . 1 1 22 22 THR CB C 22 69.306 69.306 69.121 0.186 18225 11384 1 33 . 1 1 22 22 THR H H 22 7.747 7.747 7.723 0.025 18225 11385 1 33 . 1 1 23 23 ASP N N 23 120.529 120.529 123.336 -2.807 18225 11386 1 33 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.484 0.170 18225 11387 1 33 . 1 1 23 23 ASP C C 23 176.119 176.119 175.960 0.159 18225 11388 1 33 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.499 -0.596 18225 11389 1 33 . 1 1 23 23 ASP CB C 23 39.138 39.138 39.594 -0.456 18225 11390 1 33 . 1 1 23 23 ASP H H 23 8.114 8.114 8.550 -0.436 18225 11391 1 33 . 1 1 24 24 TRP N N 24 121.466 121.466 115.362 6.104 18225 11392 1 33 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.711 -0.235 18225 11393 1 33 . 1 1 24 24 TRP C C 24 176.578 176.578 174.794 1.784 18225 11394 1 33 . 1 1 24 24 TRP CA C 24 58.311 58.311 54.110 4.201 18225 11395 1 33 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.884 -0.698 18225 11396 1 33 . 1 1 24 24 TRP H H 24 8.034 8.034 6.958 1.076 18225 11397 1 33 . 1 1 25 25 LYS N N 25 119.430 119.430 124.894 -5.464 18225 11398 1 33 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.199 0.846 18225 11399 1 33 . 1 1 25 25 LYS C C 25 176.798 176.798 175.627 1.171 18225 11400 1 33 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.967 0.795 18225 11401 1 33 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.698 0.711 18225 11402 1 33 . 1 1 25 25 LYS H H 25 7.880 7.880 7.255 0.625 18225 11403 1 33 . 1 1 26 26 SER N N 26 113.780 113.780 121.684 -7.904 18225 11404 1 33 . 1 1 26 26 SER HA H 26 4.461 4.461 4.539 -0.078 18225 11405 1 33 . 1 1 26 26 SER C C 26 174.957 174.957 173.741 1.216 18225 11406 1 33 . 1 1 26 26 SER CA C 26 58.760 58.760 57.611 1.149 18225 11407 1 33 . 1 1 26 26 SER CB C 26 63.889 63.889 63.173 0.716 18225 11408 1 33 . 1 1 26 26 SER H H 26 7.893 7.893 7.794 0.099 18225 11409 1 33 . 1 1 27 27 SER N N 27 116.730 116.730 122.119 -5.389 18225 11410 1 33 . 1 1 27 27 SER HA H 27 4.328 4.328 4.263 0.065 18225 11411 1 33 . 1 1 27 27 SER C C 27 175.563 175.563 175.910 -0.347 18225 11412 1 33 . 1 1 27 27 SER CA C 27 59.856 59.856 60.615 -0.759 18225 11413 1 33 . 1 1 27 27 SER CB C 27 63.819 63.819 63.408 0.410 18225 11414 1 33 . 1 1 27 27 SER H H 27 8.137 8.137 8.294 -0.157 18225 11415 1 33 . 1 1 28 28 GLY N N 28 110.734 110.734 109.277 1.457 18225 11416 1 33 . 1 1 28 28 GLY C C 28 174.314 174.314 173.915 0.399 18225 11417 1 33 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.096 1.029 18225 11418 1 33 . 1 1 28 28 GLY H H 28 8.477 8.477 8.417 0.060 18225 11419 1 33 . 1 1 29 29 ALA N N 29 121.690 121.690 120.181 1.509 18225 11420 1 33 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.047 0.242 18225 11421 1 33 . 1 1 29 29 ALA C C 29 177.330 177.330 176.492 0.838 18225 11422 1 33 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.152 0.022 18225 11423 1 33 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.341 2.543 18225 11424 1 33 . 1 1 29 29 ALA H H 29 8.189 8.189 8.133 0.056 18225 11425 1 33 . 1 1 30 30 LEU N N 30 117.292 117.292 111.302 5.990 18225 11426 1 33 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.553 -0.474 18225 11427 1 33 . 1 1 30 30 LEU C C 30 177.377 177.377 176.393 0.984 18225 11428 1 33 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.853 3.381 18225 11429 1 33 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.061 0.353 18225 11430 1 33 . 1 1 30 30 LEU H H 30 7.873 7.873 7.784 0.089 18225 11431 1 33 . 1 1 31 31 ILE N N 31 116.517 116.517 123.448 -6.931 18225 11432 1 33 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.053 -0.170 18225 11433 1 33 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.355 0.911 18225 11434 1 33 . 1 1 31 31 ILE CB C 31 34.756 34.756 36.436 -1.680 18225 11435 1 33 . 1 1 31 31 ILE H H 31 8.262 8.262 8.197 0.065 18225 11436 1 33 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.278 -0.066 18225 11437 1 33 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.097 0.896 18225 11438 1 33 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.895 0.097 18225 11439 1 33 . 1 1 33 33 ALA N N 33 118.208 118.208 121.056 -2.848 18225 11440 1 33 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.313 -0.247 18225 11441 1 33 . 1 1 33 33 ALA C C 33 178.814 178.814 179.043 -0.229 18225 11442 1 33 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.827 1.862 18225 11443 1 33 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.097 -0.718 18225 11444 1 33 . 1 1 33 33 ALA H H 33 7.613 7.613 7.262 0.351 18225 11445 1 33 . 1 1 34 34 ILE N N 34 117.730 117.730 117.617 0.113 18225 11446 1 33 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.604 0.061 18225 11447 1 33 . 1 1 34 34 ILE C C 34 177.826 177.826 177.463 0.363 18225 11448 1 33 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.765 0.389 18225 11449 1 33 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.650 -0.367 18225 11450 1 33 . 1 1 34 34 ILE H H 34 8.259 8.259 7.663 0.596 18225 11451 1 33 . 1 1 35 35 TYR N N 35 118.693 118.693 119.810 -1.117 18225 11452 1 33 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.307 -0.214 18225 11453 1 33 . 1 1 35 35 TYR C C 35 177.885 177.885 177.530 0.355 18225 11454 1 33 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.245 0.393 18225 11455 1 33 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.820 -0.896 18225 11456 1 33 . 1 1 35 35 TYR H H 35 8.347 8.347 7.937 0.410 18225 11457 1 33 . 1 1 36 36 MET N N 36 117.356 117.356 120.482 -3.126 18225 11458 1 33 . 1 1 36 36 MET HA H 36 4.220 4.220 4.291 -0.071 18225 11459 1 33 . 1 1 36 36 MET C C 36 177.903 177.903 177.118 0.785 18225 11460 1 33 . 1 1 36 36 MET CA C 36 58.653 58.653 58.897 -0.244 18225 11461 1 33 . 1 1 36 36 MET CB C 36 32.172 32.172 32.741 -0.569 18225 11462 1 33 . 1 1 36 36 MET H H 36 8.252 8.252 8.109 0.143 18225 11463 1 33 . 1 1 37 37 LEU N N 37 119.978 119.978 116.920 3.058 18225 11464 1 33 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.242 -0.214 18225 11465 1 33 . 1 1 37 37 LEU C C 37 178.393 178.393 177.235 1.158 18225 11466 1 33 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.773 2.869 18225 11467 1 33 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.869 1.120 18225 11468 1 33 . 1 1 37 37 LEU H H 37 8.301 8.301 7.906 0.395 18225 11469 1 33 . 1 1 38 38 VAL N N 38 117.991 117.991 115.475 2.516 18225 11470 1 33 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.140 -0.638 18225 11471 1 33 . 1 1 38 38 VAL C C 38 177.962 177.962 175.453 2.509 18225 11472 1 33 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.882 4.273 18225 11473 1 33 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.973 -2.558 18225 11474 1 33 . 1 1 38 38 VAL H H 38 8.414 8.414 7.557 0.857 18225 11475 1 33 . 1 1 39 39 PHE N N 39 119.830 119.830 122.964 -3.134 18225 11476 1 33 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.216 -0.038 18225 11477 1 33 . 1 1 39 39 PHE C C 39 178.233 178.233 175.812 2.421 18225 11478 1 33 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.591 -0.088 18225 11479 1 33 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.993 -0.936 18225 11480 1 33 . 1 1 39 39 PHE H H 39 8.337 8.337 7.506 0.831 18225 11481 1 33 . 1 1 40 40 LEU N N 40 119.985 119.985 115.355 4.630 18225 11482 1 33 . 1 1 40 40 LEU HA H 40 3.966 3.966 3.972 -0.006 18225 11483 1 33 . 1 1 40 40 LEU C C 40 179.279 179.279 176.889 2.390 18225 11484 1 33 . 1 1 40 40 LEU CA C 40 57.872 57.872 56.301 1.571 18225 11485 1 33 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.436 0.951 18225 11486 1 33 . 1 1 40 40 LEU H H 40 8.603 8.603 7.512 1.091 18225 11487 1 33 . 1 1 41 41 LEU N N 41 118.649 118.649 116.714 1.935 18225 11488 1 33 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.423 -0.379 18225 11489 1 33 . 1 1 41 41 LEU C C 41 178.670 178.670 177.070 1.600 18225 11490 1 33 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.564 3.119 18225 11491 1 33 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.437 -0.506 18225 11492 1 33 . 1 1 41 41 LEU H H 41 8.486 8.486 7.309 1.177 18225 11493 1 33 . 1 1 42 42 GLY N N 42 105.262 105.262 107.986 -2.724 18225 11494 1 33 . 1 1 42 42 GLY C C 42 174.814 174.814 174.841 -0.027 18225 11495 1 33 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.847 -0.442 18225 11496 1 33 . 1 1 42 42 GLY H H 42 8.289 8.289 7.572 0.717 18225 11497 1 33 . 1 1 43 43 THR N N 43 111.955 111.955 114.214 -2.259 18225 11498 1 33 . 1 1 43 43 THR HA H 43 4.243 4.243 4.440 -0.197 18225 11499 1 33 . 1 1 43 43 THR C C 43 175.888 175.888 175.662 0.226 18225 11500 1 33 . 1 1 43 43 THR CA C 43 63.505 63.505 62.826 0.679 18225 11501 1 33 . 1 1 43 43 THR CB C 43 69.598 69.598 69.017 0.581 18225 11502 1 33 . 1 1 43 43 THR H H 43 7.891 7.891 7.546 0.345 18225 11503 1 33 . 1 1 44 44 THR N N 44 111.997 111.997 119.114 -7.117 18225 11504 1 33 . 1 1 44 44 THR HA H 44 4.320 4.320 4.022 0.298 18225 11505 1 33 . 1 1 44 44 THR C C 44 175.543 175.543 174.849 0.694 18225 11506 1 33 . 1 1 44 44 THR CA C 44 63.009 63.009 66.299 -3.290 18225 11507 1 33 . 1 1 44 44 THR CB C 44 69.881 69.881 68.905 0.976 18225 11508 1 33 . 1 1 44 44 THR H H 44 7.740 7.740 7.759 -0.019 18225 11509 1 33 . 1 1 45 45 GLY N N 45 109.564 109.564 105.721 3.843 18225 11510 1 33 . 1 1 45 45 GLY C C 45 174.928 174.928 173.247 1.681 18225 11511 1 33 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.553 1.867 18225 11512 1 33 . 1 1 45 45 GLY H H 45 8.243 8.243 8.401 -0.158 18225 11513 1 33 . 1 1 46 46 ASN N N 46 117.851 117.851 117.748 0.103 18225 11514 1 33 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.907 -0.190 18225 11515 1 33 . 1 1 46 46 ASN C C 46 176.127 176.127 175.209 0.918 18225 11516 1 33 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.284 1.330 18225 11517 1 33 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.859 -0.548 18225 11518 1 33 . 1 1 46 46 ASN H H 46 8.170 8.170 7.892 0.278 18225 11519 1 33 . 1 1 47 47 GLY N N 47 108.287 108.287 108.276 0.011 18225 11520 1 33 . 1 1 47 47 GLY C C 47 174.612 174.612 174.190 0.422 18225 11521 1 33 . 1 1 47 47 GLY CA C 47 47.241 47.241 44.429 2.812 18225 11522 1 33 . 1 1 47 47 GLY H H 47 8.663 8.663 7.662 1.001 18225 11523 1 33 . 1 1 48 48 LEU N N 48 120.479 120.479 118.011 2.468 18225 11524 1 33 . 1 1 48 48 LEU HA H 48 4.268 4.268 3.826 0.442 18225 11525 1 33 . 1 1 48 48 LEU C C 48 179.407 179.407 177.567 1.840 18225 11526 1 33 . 1 1 48 48 LEU CA C 48 57.592 57.592 57.136 0.456 18225 11527 1 33 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.538 0.200 18225 11528 1 33 . 1 1 48 48 LEU H H 48 8.149 8.149 8.693 -0.544 18225 11529 1 33 . 1 1 49 49 VAL N N 49 119.968 119.968 118.338 1.630 18225 11530 1 33 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.907 -0.091 18225 11531 1 33 . 1 1 49 49 VAL C C 49 177.444 177.444 175.575 1.869 18225 11532 1 33 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.191 1.752 18225 11533 1 33 . 1 1 49 49 VAL CB C 49 31.678 31.678 30.885 0.793 18225 11534 1 33 . 1 1 49 49 VAL H H 49 7.969 7.969 8.424 -0.455 18225 11535 1 33 . 1 1 50 50 LEU N N 50 119.329 119.329 114.023 5.306 18225 11536 1 33 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.646 -0.634 18225 11537 1 33 . 1 1 50 50 LEU C C 50 178.085 178.085 176.620 1.465 18225 11538 1 33 . 1 1 50 50 LEU CA C 50 57.917 57.917 56.063 1.854 18225 11539 1 33 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.235 0.471 18225 11540 1 33 . 1 1 50 50 LEU H H 50 7.814 7.814 7.607 0.207 18225 11541 1 33 . 1 1 51 51 TRP N N 51 118.186 118.186 123.841 -5.655 18225 11542 1 33 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.966 -0.477 18225 11543 1 33 . 1 1 51 51 TRP C C 51 177.377 177.377 178.113 -0.736 18225 11544 1 33 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.714 0.344 18225 11545 1 33 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.273 0.508 18225 11546 1 33 . 1 1 51 51 TRP H H 51 8.125 8.125 8.138 -0.013 18225 11547 1 33 . 1 1 52 52 THR N N 52 113.180 113.180 114.903 -1.723 18225 11548 1 33 . 1 1 52 52 THR HA H 52 3.787 3.787 3.298 0.489 18225 11549 1 33 . 1 1 52 52 THR C C 52 176.309 176.309 176.019 0.290 18225 11550 1 33 . 1 1 52 52 THR CA C 52 66.473 66.473 64.744 1.729 18225 11551 1 33 . 1 1 52 52 THR CB C 52 68.865 68.865 67.510 1.355 18225 11552 1 33 . 1 1 52 52 THR H H 52 8.079 8.079 7.781 0.298 18225 11553 1 33 . 1 1 53 53 VAL N N 53 119.953 119.953 119.584 0.369 18225 11554 1 33 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.927 -0.279 18225 11555 1 33 . 1 1 53 53 VAL C C 53 177.252 177.252 176.550 0.702 18225 11556 1 33 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.271 0.815 18225 11557 1 33 . 1 1 53 53 VAL CB C 53 31.704 31.704 32.068 -0.364 18225 11558 1 33 . 1 1 53 53 VAL H H 53 7.913 7.913 7.620 0.293 18225 11559 1 33 . 1 1 54 54 PHE N N 54 118.204 118.204 121.538 -3.334 18225 11560 1 33 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.351 -0.104 18225 11561 1 33 . 1 1 54 54 PHE C C 54 177.144 177.144 176.242 0.902 18225 11562 1 33 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.149 0.305 18225 11563 1 33 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.203 -0.087 18225 11564 1 33 . 1 1 54 54 PHE H H 54 8.030 8.030 8.098 -0.068 18225 11565 1 33 . 1 1 55 55 ARG N N 55 117.725 117.725 117.936 -0.211 18225 11566 1 33 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.210 -0.326 18225 11567 1 33 . 1 1 55 55 ARG C C 55 177.443 177.443 177.124 0.319 18225 11568 1 33 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.329 1.225 18225 11569 1 33 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.902 -0.095 18225 11570 1 33 . 1 1 55 55 ARG H H 55 8.034 8.034 7.759 0.275 18225 11571 1 33 . 1 1 56 56 LYS N N 56 118.622 118.622 119.948 -1.326 18225 11572 1 33 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.237 -0.073 18225 11573 1 33 . 1 1 56 56 LYS C C 56 177.418 177.418 177.188 0.230 18225 11574 1 33 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.860 0.657 18225 11575 1 33 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.991 -0.183 18225 11576 1 33 . 1 1 56 56 LYS H H 56 7.804 7.804 7.520 0.284 18225 11577 1 33 . 1 1 57 57 LYS N N 57 118.937 118.937 117.377 1.560 18225 11578 1 33 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.948 0.310 18225 11579 1 33 . 1 1 57 57 LYS C C 57 177.029 177.029 177.034 -0.005 18225 11580 1 33 . 1 1 57 57 LYS CA C 57 56.610 56.610 56.968 -0.358 18225 11581 1 33 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.049 1.829 18225 11582 1 33 . 1 1 57 57 LYS H H 57 7.974 7.974 7.763 0.211 18225 11583 1 33 . 1 1 58 58 GLY N N 58 107.785 107.785 106.669 1.116 18225 11584 1 33 . 1 1 58 58 GLY C C 58 173.543 173.543 174.221 -0.678 18225 11585 1 33 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.022 0.451 18225 11586 1 33 . 1 1 58 58 GLY H H 58 8.136 8.136 8.386 -0.250 18225 11587 1 33 . 1 1 59 59 HIS N N 59 117.024 117.024 115.905 1.119 18225 11588 1 33 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.990 0.632 18225 11589 1 33 . 1 1 59 59 HIS C C 59 174.183 174.183 173.578 0.605 18225 11590 1 33 . 1 1 59 59 HIS CA C 59 55.281 55.281 57.179 -1.898 18225 11591 1 33 . 1 1 59 59 HIS CB C 59 29.081 29.081 28.078 1.003 18225 11592 1 33 . 1 1 59 59 HIS H H 59 8.163 8.163 8.672 -0.509 18225 11593 1 33 . 1 1 60 60 HIS N N 60 118.841 118.841 114.051 4.790 18225 11594 1 33 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.493 0.137 18225 11595 1 33 . 1 1 60 60 HIS C C 60 174.157 174.157 174.324 -0.167 18225 11596 1 33 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.414 -0.074 18225 11597 1 33 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.148 -2.044 18225 11598 1 33 . 1 1 60 60 HIS H H 60 8.507 8.507 7.537 0.970 18225 11599 1 33 . 1 1 61 61 HIS N N 61 119.636 119.636 117.721 1.915 18225 11600 1 33 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.472 0.182 18225 11601 1 33 . 1 1 61 61 HIS C C 61 174.095 174.095 174.583 -0.488 18225 11602 1 33 . 1 1 61 61 HIS CA C 61 55.329 55.329 58.431 -3.102 18225 11603 1 33 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.739 -1.505 18225 11604 1 33 . 1 1 61 61 HIS H H 61 8.613 8.613 8.917 -0.304 18225 11605 1 33 . 1 1 62 62 HIS N N 62 120.286 120.286 112.792 7.494 18225 11606 1 33 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.595 0.065 18225 11607 1 33 . 1 1 62 62 HIS C C 62 173.928 173.928 172.910 1.018 18225 11608 1 33 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.501 -0.145 18225 11609 1 33 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.865 -1.536 18225 11610 1 33 . 1 1 62 62 HIS H H 62 8.680 8.680 7.934 0.746 18225 11611 1 33 . 1 1 63 63 HIS N N 63 120.408 120.408 118.392 2.016 18225 11612 1 33 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.314 0.335 18225 11613 1 33 . 1 1 63 63 HIS C C 63 173.437 173.437 173.874 -0.437 18225 11614 1 33 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.791 -0.227 18225 11615 1 33 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.529 -0.046 18225 11616 1 33 . 1 1 63 63 HIS H H 63 8.541 8.541 8.467 0.074 18225 11617 1 34 . 1 1 2 2 GLU N N 2 123.432 123.432 119.841 3.591 18225 11618 1 34 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.025 0.384 18225 11619 1 34 . 1 1 2 2 GLU C C 2 175.510 175.510 175.465 0.045 18225 11620 1 34 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.619 -0.403 18225 11621 1 34 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.471 1.067 18225 11622 1 34 . 1 1 2 2 GLU H H 2 8.824 8.824 8.442 0.382 18225 11623 1 34 . 1 1 3 3 GLU N N 3 121.813 121.813 118.928 2.885 18225 11624 1 34 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.074 0.304 18225 11625 1 34 . 1 1 3 3 GLU C C 3 176.299 176.299 177.935 -1.636 18225 11626 1 34 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.371 -1.079 18225 11627 1 34 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.965 -0.513 18225 11628 1 34 . 1 1 3 3 GLU H H 3 8.546 8.546 8.221 0.325 18225 11629 1 34 . 1 1 4 4 GLY N N 4 109.619 109.619 110.763 -1.144 18225 11630 1 34 . 1 1 4 4 GLY C C 4 174.449 174.449 173.420 1.029 18225 11631 1 34 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.917 0.613 18225 11632 1 34 . 1 1 4 4 GLY H H 4 8.463 8.463 8.581 -0.118 18225 11633 1 34 . 1 1 5 5 GLY N N 5 108.241 108.241 108.665 -0.424 18225 11634 1 34 . 1 1 5 5 GLY C C 5 173.965 173.965 173.356 0.609 18225 11635 1 34 . 1 1 5 5 GLY CA C 5 45.452 45.452 45.617 -0.165 18225 11636 1 34 . 1 1 5 5 GLY H H 5 8.220 8.220 8.033 0.187 18225 11637 1 34 . 1 1 6 6 ASP N N 6 119.184 119.184 121.534 -2.350 18225 11638 1 34 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.501 0.097 18225 11639 1 34 . 1 1 6 6 ASP C C 6 175.801 175.801 175.706 0.095 18225 11640 1 34 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.866 -0.954 18225 11641 1 34 . 1 1 6 6 ASP CB C 6 39.335 39.335 38.724 0.611 18225 11642 1 34 . 1 1 6 6 ASP H H 6 8.329 8.329 8.390 -0.061 18225 11643 1 34 . 1 1 7 7 PHE N N 7 119.589 119.589 122.805 -3.216 18225 11644 1 34 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.577 -0.097 18225 11645 1 34 . 1 1 7 7 PHE C C 7 175.881 175.881 174.561 1.320 18225 11646 1 34 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.596 0.225 18225 11647 1 34 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.625 -1.543 18225 11648 1 34 . 1 1 7 7 PHE H H 7 8.342 8.342 8.341 0.001 18225 11649 1 34 . 1 1 8 8 ASP N N 8 118.430 118.430 124.062 -5.632 18225 11650 1 34 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.899 0.557 18225 11651 1 34 . 1 1 8 8 ASP C C 8 175.642 175.642 175.731 -0.089 18225 11652 1 34 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.027 -0.424 18225 11653 1 34 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.209 -2.625 18225 11654 1 34 . 1 1 8 8 ASP H H 8 8.223 8.223 7.979 0.244 18225 11655 1 34 . 1 1 9 9 ASN N N 9 117.097 117.097 122.340 -5.243 18225 11656 1 34 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.643 -0.084 18225 11657 1 34 . 1 1 9 9 ASN C C 9 175.264 175.264 175.442 -0.178 18225 11658 1 34 . 1 1 9 9 ASN CA C 9 53.844 53.844 52.671 1.173 18225 11659 1 34 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.838 -1.123 18225 11660 1 34 . 1 1 9 9 ASN H H 9 8.069 8.069 8.162 -0.093 18225 11661 1 34 . 1 1 10 10 TYR N N 10 119.007 119.007 119.978 -0.971 18225 11662 1 34 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.859 0.490 18225 11663 1 34 . 1 1 10 10 TYR C C 10 175.387 175.387 176.842 -1.455 18225 11664 1 34 . 1 1 10 10 TYR CA C 10 59.194 59.194 62.213 -3.019 18225 11665 1 34 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.192 1.636 18225 11666 1 34 . 1 1 10 10 TYR H H 10 7.901 7.901 7.999 -0.098 18225 11667 1 34 . 1 1 11 11 TYR N N 11 117.992 117.992 117.048 0.944 18225 11668 1 34 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.115 0.328 18225 11669 1 34 . 1 1 11 11 TYR C C 11 175.765 175.765 177.409 -1.644 18225 11670 1 34 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.075 -1.703 18225 11671 1 34 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.272 1.522 18225 11672 1 34 . 1 1 11 11 TYR H H 11 7.885 7.885 8.711 -0.826 18225 11673 1 34 . 1 1 12 12 GLY N N 12 108.601 108.601 109.429 -0.828 18225 11674 1 34 . 1 1 12 12 GLY C C 12 173.934 173.934 173.712 0.222 18225 11675 1 34 . 1 1 12 12 GLY CA C 12 45.489 45.489 44.533 0.955 18225 11676 1 34 . 1 1 12 12 GLY H H 12 7.861 7.861 8.279 -0.418 18225 11677 1 34 . 1 1 13 13 ALA N N 13 122.926 122.926 123.489 -0.563 18225 11678 1 34 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.535 -0.256 18225 11679 1 34 . 1 1 13 13 ALA C C 13 177.457 177.457 178.428 -0.971 18225 11680 1 34 . 1 1 13 13 ALA CA C 13 52.782 52.782 51.707 1.075 18225 11681 1 34 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.756 -0.308 18225 11682 1 34 . 1 1 13 13 ALA H H 13 7.985 7.985 7.645 0.340 18225 11683 1 34 . 1 1 14 14 ASP N N 14 117.380 117.380 118.652 -1.272 18225 11684 1 34 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.397 0.243 18225 11685 1 34 . 1 1 14 14 ASP C C 14 175.428 175.428 177.339 -1.911 18225 11686 1 34 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.451 -2.779 18225 11687 1 34 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.013 -0.647 18225 11688 1 34 . 1 1 14 14 ASP H H 14 8.330 8.330 8.667 -0.337 18225 11689 1 34 . 1 1 15 15 ASN N N 15 118.465 118.465 117.165 1.300 18225 11690 1 34 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.475 0.164 18225 11691 1 34 . 1 1 15 15 ASN C C 15 175.467 175.467 175.346 0.121 18225 11692 1 34 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.608 -0.951 18225 11693 1 34 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.343 0.625 18225 11694 1 34 . 1 1 15 15 ASN H H 15 8.207 8.207 8.614 -0.407 18225 11695 1 34 . 1 1 16 16 GLN N N 16 119.741 119.741 115.754 3.987 18225 11696 1 34 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.605 -0.290 18225 11697 1 34 . 1 1 16 16 GLN C C 16 176.350 176.350 174.297 2.053 18225 11698 1 34 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.287 1.353 18225 11699 1 34 . 1 1 16 16 GLN CB C 16 29.096 29.096 29.577 -0.481 18225 11700 1 34 . 1 1 16 16 GLN H H 16 8.292 8.292 7.620 0.672 18225 11701 1 34 . 1 1 17 17 SER N N 17 115.772 115.772 115.736 0.036 18225 11702 1 34 . 1 1 17 17 SER HA H 17 4.390 4.390 4.698 -0.308 18225 11703 1 34 . 1 1 17 17 SER C C 17 174.799 174.799 173.451 1.348 18225 11704 1 34 . 1 1 17 17 SER CA C 17 59.165 59.165 57.845 1.320 18225 11705 1 34 . 1 1 17 17 SER CB C 17 63.651 63.651 64.696 -1.045 18225 11706 1 34 . 1 1 17 17 SER H H 17 8.224 8.224 8.190 0.034 18225 11707 1 34 . 1 1 18 18 GLU N N 18 121.211 121.211 122.942 -1.731 18225 11708 1 34 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.215 0.103 18225 11709 1 34 . 1 1 18 18 GLU C C 18 176.201 176.201 175.815 0.386 18225 11710 1 34 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.781 -1.056 18225 11711 1 34 . 1 1 18 18 GLU CB C 18 28.965 28.965 27.992 0.973 18225 11712 1 34 . 1 1 18 18 GLU H H 18 8.285 8.285 8.978 -0.693 18225 11713 1 34 . 1 1 19 19 CYS N N 19 118.653 118.653 119.103 -0.450 18225 11714 1 34 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.260 0.164 18225 11715 1 34 . 1 1 19 19 CYS C C 19 174.698 174.698 174.644 0.054 18225 11716 1 34 . 1 1 19 19 CYS CA C 19 59.075 59.075 60.753 -1.678 18225 11717 1 34 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.627 -0.777 18225 11718 1 34 . 1 1 19 19 CYS H H 19 8.202 8.202 8.365 -0.163 18225 11719 1 34 . 1 1 20 20 GLU N N 20 121.851 121.851 117.248 4.603 18225 11720 1 34 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.496 -0.231 18225 11721 1 34 . 1 1 20 20 GLU C C 20 176.100 176.100 174.105 1.995 18225 11722 1 34 . 1 1 20 20 GLU CA C 20 56.822 56.822 55.776 1.046 18225 11723 1 34 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.258 -0.282 18225 11724 1 34 . 1 1 20 20 GLU H H 20 8.349 8.349 7.676 0.673 18225 11725 1 34 . 1 1 21 21 TYR N N 21 118.491 118.491 118.390 0.101 18225 11726 1 34 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.033 -0.615 18225 11727 1 34 . 1 1 21 21 TYR C C 21 175.881 175.881 175.312 0.569 18225 11728 1 34 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.133 0.598 18225 11729 1 34 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.757 -1.131 18225 11730 1 34 . 1 1 21 21 TYR H H 21 7.974 7.974 8.243 -0.269 18225 11731 1 34 . 1 1 22 22 THR N N 22 112.161 112.161 110.565 1.596 18225 11732 1 34 . 1 1 22 22 THR HA H 22 4.105 4.105 4.200 -0.095 18225 11733 1 34 . 1 1 22 22 THR C C 22 174.666 174.666 174.478 0.188 18225 11734 1 34 . 1 1 22 22 THR CA C 22 63.190 63.190 62.537 0.653 18225 11735 1 34 . 1 1 22 22 THR CB C 22 69.306 69.306 69.394 -0.088 18225 11736 1 34 . 1 1 22 22 THR H H 22 7.747 7.747 7.739 0.008 18225 11737 1 34 . 1 1 23 23 ASP N N 23 120.529 120.529 122.872 -2.343 18225 11738 1 34 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.391 0.263 18225 11739 1 34 . 1 1 23 23 ASP C C 23 176.119 176.119 177.129 -1.010 18225 11740 1 34 . 1 1 23 23 ASP CA C 23 53.903 53.903 57.010 -3.107 18225 11741 1 34 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.727 -1.589 18225 11742 1 34 . 1 1 23 23 ASP H H 23 8.114 8.114 8.710 -0.596 18225 11743 1 34 . 1 1 24 24 TRP N N 24 121.466 121.466 118.195 3.271 18225 11744 1 34 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.374 0.102 18225 11745 1 34 . 1 1 24 24 TRP C C 24 176.578 176.578 175.549 1.029 18225 11746 1 34 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.054 1.257 18225 11747 1 34 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.707 0.479 18225 11748 1 34 . 1 1 24 24 TRP H H 24 8.034 8.034 7.937 0.097 18225 11749 1 34 . 1 1 25 25 LYS N N 25 119.430 119.430 120.995 -1.565 18225 11750 1 34 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.455 1.590 18225 11751 1 34 . 1 1 25 25 LYS C C 25 176.798 176.798 175.697 1.101 18225 11752 1 34 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.296 1.465 18225 11753 1 34 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.998 0.411 18225 11754 1 34 . 1 1 25 25 LYS H H 25 7.880 7.880 6.870 1.010 18225 11755 1 34 . 1 1 26 26 SER N N 26 113.780 113.780 119.643 -5.863 18225 11756 1 34 . 1 1 26 26 SER HA H 26 4.461 4.461 4.228 0.233 18225 11757 1 34 . 1 1 26 26 SER C C 26 174.957 174.957 174.864 0.093 18225 11758 1 34 . 1 1 26 26 SER CA C 26 58.760 58.760 60.318 -1.558 18225 11759 1 34 . 1 1 26 26 SER CB C 26 63.889 63.889 63.706 0.183 18225 11760 1 34 . 1 1 26 26 SER H H 26 7.893 7.893 7.995 -0.102 18225 11761 1 34 . 1 1 27 27 SER N N 27 116.730 116.730 113.859 2.871 18225 11762 1 34 . 1 1 27 27 SER HA H 27 4.328 4.328 4.272 0.056 18225 11763 1 34 . 1 1 27 27 SER C C 27 175.563 175.563 174.106 1.457 18225 11764 1 34 . 1 1 27 27 SER CA C 27 59.856 59.856 59.079 0.777 18225 11765 1 34 . 1 1 27 27 SER CB C 27 63.819 63.819 62.304 1.515 18225 11766 1 34 . 1 1 27 27 SER H H 27 8.137 8.137 8.182 -0.045 18225 11767 1 34 . 1 1 28 28 GLY N N 28 110.734 110.734 107.356 3.378 18225 11768 1 34 . 1 1 28 28 GLY C C 28 174.314 174.314 173.776 0.538 18225 11769 1 34 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.929 1.196 18225 11770 1 34 . 1 1 28 28 GLY H H 28 8.477 8.477 8.025 0.452 18225 11771 1 34 . 1 1 29 29 ALA N N 29 121.690 121.690 124.314 -2.624 18225 11772 1 34 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.430 -0.141 18225 11773 1 34 . 1 1 29 29 ALA C C 29 177.330 177.330 178.560 -1.230 18225 11774 1 34 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.500 0.674 18225 11775 1 34 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.260 0.624 18225 11776 1 34 . 1 1 29 29 ALA H H 29 8.189 8.189 7.943 0.246 18225 11777 1 34 . 1 1 30 30 LEU N N 30 117.292 117.292 115.633 1.659 18225 11778 1 34 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.826 -0.747 18225 11779 1 34 . 1 1 30 30 LEU C C 30 177.377 177.377 177.753 -0.376 18225 11780 1 34 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.804 2.430 18225 11781 1 34 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.060 0.354 18225 11782 1 34 . 1 1 30 30 LEU H H 30 7.873 7.873 7.882 -0.009 18225 11783 1 34 . 1 1 31 31 ILE N N 31 116.517 116.517 122.359 -5.842 18225 11784 1 34 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.107 -0.224 18225 11785 1 34 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.133 1.133 18225 11786 1 34 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.530 -0.774 18225 11787 1 34 . 1 1 31 31 ILE H H 31 8.262 8.262 8.179 0.083 18225 11788 1 34 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.298 -0.086 18225 11789 1 34 . 1 1 32 32 PRO CA C 32 65.993 65.993 66.487 -0.494 18225 11790 1 34 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.637 0.355 18225 11791 1 34 . 1 1 33 33 ALA N N 33 118.208 118.208 119.118 -0.910 18225 11792 1 34 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.151 -0.085 18225 11793 1 34 . 1 1 33 33 ALA C C 33 178.814 178.814 179.255 -0.441 18225 11794 1 34 . 1 1 33 33 ALA CA C 33 55.689 55.689 54.787 0.902 18225 11795 1 34 . 1 1 33 33 ALA CB C 33 18.379 18.379 18.386 -0.007 18225 11796 1 34 . 1 1 33 33 ALA H H 33 7.613 7.613 8.606 -0.993 18225 11797 1 34 . 1 1 34 34 ILE N N 34 117.730 117.730 116.653 1.077 18225 11798 1 34 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.034 -0.369 18225 11799 1 34 . 1 1 34 34 ILE C C 34 177.826 177.826 176.630 1.196 18225 11800 1 34 . 1 1 34 34 ILE CA C 34 65.154 65.154 63.097 2.057 18225 11801 1 34 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.550 -1.267 18225 11802 1 34 . 1 1 34 34 ILE H H 34 8.259 8.259 7.336 0.923 18225 11803 1 34 . 1 1 35 35 TYR N N 35 118.693 118.693 118.191 0.502 18225 11804 1 34 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.317 -0.224 18225 11805 1 34 . 1 1 35 35 TYR C C 35 177.885 177.885 177.898 -0.013 18225 11806 1 34 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.301 0.337 18225 11807 1 34 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.619 -1.695 18225 11808 1 34 . 1 1 35 35 TYR H H 35 8.347 8.347 8.062 0.285 18225 11809 1 34 . 1 1 36 36 MET N N 36 117.356 117.356 120.599 -3.243 18225 11810 1 34 . 1 1 36 36 MET HA H 36 4.220 4.220 4.229 -0.009 18225 11811 1 34 . 1 1 36 36 MET C C 36 177.903 177.903 178.348 -0.445 18225 11812 1 34 . 1 1 36 36 MET CA C 36 58.653 58.653 59.514 -0.861 18225 11813 1 34 . 1 1 36 36 MET CB C 36 32.172 32.172 32.667 -0.495 18225 11814 1 34 . 1 1 36 36 MET H H 36 8.252 8.252 8.645 -0.393 18225 11815 1 34 . 1 1 37 37 LEU N N 37 119.978 119.978 118.328 1.650 18225 11816 1 34 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.179 -0.151 18225 11817 1 34 . 1 1 37 37 LEU C C 37 178.393 178.393 177.381 1.012 18225 11818 1 34 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.686 1.956 18225 11819 1 34 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.107 0.882 18225 11820 1 34 . 1 1 37 37 LEU H H 37 8.301 8.301 7.935 0.366 18225 11821 1 34 . 1 1 38 38 VAL N N 38 117.991 117.991 116.426 1.565 18225 11822 1 34 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.366 -0.864 18225 11823 1 34 . 1 1 38 38 VAL C C 38 177.962 177.962 176.496 1.466 18225 11824 1 34 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.546 4.609 18225 11825 1 34 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.610 -2.195 18225 11826 1 34 . 1 1 38 38 VAL H H 38 8.414 8.414 8.038 0.376 18225 11827 1 34 . 1 1 39 39 PHE N N 39 119.830 119.830 121.686 -1.856 18225 11828 1 34 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.301 -0.123 18225 11829 1 34 . 1 1 39 39 PHE C C 39 178.233 178.233 175.356 2.877 18225 11830 1 34 . 1 1 39 39 PHE CA C 39 61.503 61.503 61.007 0.496 18225 11831 1 34 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.857 -0.799 18225 11832 1 34 . 1 1 39 39 PHE H H 39 8.337 8.337 8.080 0.257 18225 11833 1 34 . 1 1 40 40 LEU N N 40 119.985 119.985 110.255 9.730 18225 11834 1 34 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.699 -0.733 18225 11835 1 34 . 1 1 40 40 LEU C C 40 179.279 179.279 175.228 4.051 18225 11836 1 34 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.364 3.508 18225 11837 1 34 . 1 1 40 40 LEU CB C 40 42.387 42.387 43.678 -1.291 18225 11838 1 34 . 1 1 40 40 LEU H H 40 8.603 8.603 7.358 1.245 18225 11839 1 34 . 1 1 41 41 LEU N N 41 118.649 118.649 120.730 -2.081 18225 11840 1 34 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.511 -0.467 18225 11841 1 34 . 1 1 41 41 LEU C C 41 178.670 178.670 176.836 1.834 18225 11842 1 34 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.843 2.840 18225 11843 1 34 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.947 -0.016 18225 11844 1 34 . 1 1 41 41 LEU H H 41 8.486 8.486 7.804 0.682 18225 11845 1 34 . 1 1 42 42 GLY N N 42 105.262 105.262 110.076 -4.814 18225 11846 1 34 . 1 1 42 42 GLY C C 42 174.814 174.814 174.500 0.314 18225 11847 1 34 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.186 0.219 18225 11848 1 34 . 1 1 42 42 GLY H H 42 8.289 8.289 8.324 -0.035 18225 11849 1 34 . 1 1 43 43 THR N N 43 111.955 111.955 114.945 -2.990 18225 11850 1 34 . 1 1 43 43 THR HA H 43 4.243 4.243 4.483 -0.240 18225 11851 1 34 . 1 1 43 43 THR C C 43 175.888 175.888 175.819 0.069 18225 11852 1 34 . 1 1 43 43 THR CA C 43 63.505 63.505 62.648 0.858 18225 11853 1 34 . 1 1 43 43 THR CB C 43 69.598 69.598 69.271 0.327 18225 11854 1 34 . 1 1 43 43 THR H H 43 7.891 7.891 7.819 0.072 18225 11855 1 34 . 1 1 44 44 THR N N 44 111.997 111.997 117.713 -5.716 18225 11856 1 34 . 1 1 44 44 THR HA H 44 4.320 4.320 4.051 0.269 18225 11857 1 34 . 1 1 44 44 THR C C 44 175.543 175.543 175.463 0.080 18225 11858 1 34 . 1 1 44 44 THR CA C 44 63.009 63.009 64.810 -1.801 18225 11859 1 34 . 1 1 44 44 THR CB C 44 69.881 69.881 68.867 1.014 18225 11860 1 34 . 1 1 44 44 THR H H 44 7.740 7.740 8.360 -0.620 18225 11861 1 34 . 1 1 45 45 GLY N N 45 109.564 109.564 107.928 1.636 18225 11862 1 34 . 1 1 45 45 GLY C C 45 174.928 174.928 173.685 1.243 18225 11863 1 34 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.636 1.784 18225 11864 1 34 . 1 1 45 45 GLY H H 45 8.243 8.243 7.996 0.247 18225 11865 1 34 . 1 1 46 46 ASN N N 46 117.851 117.851 118.777 -0.926 18225 11866 1 34 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.302 0.415 18225 11867 1 34 . 1 1 46 46 ASN C C 46 176.127 176.127 174.956 1.171 18225 11868 1 34 . 1 1 46 46 ASN CA C 46 54.614 54.614 54.187 0.427 18225 11869 1 34 . 1 1 46 46 ASN CB C 46 39.311 39.311 37.411 1.900 18225 11870 1 34 . 1 1 46 46 ASN H H 46 8.170 8.170 8.242 -0.072 18225 11871 1 34 . 1 1 47 47 GLY N N 47 108.287 108.287 105.226 3.061 18225 11872 1 34 . 1 1 47 47 GLY C C 47 174.612 174.612 172.889 1.723 18225 11873 1 34 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.732 1.509 18225 11874 1 34 . 1 1 47 47 GLY H H 47 8.663 8.663 8.478 0.185 18225 11875 1 34 . 1 1 48 48 LEU N N 48 120.479 120.479 120.438 0.041 18225 11876 1 34 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.752 -0.484 18225 11877 1 34 . 1 1 48 48 LEU C C 48 179.407 179.407 178.022 1.385 18225 11878 1 34 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.239 1.353 18225 11879 1 34 . 1 1 48 48 LEU CB C 48 41.738 41.738 43.372 -1.634 18225 11880 1 34 . 1 1 48 48 LEU H H 48 8.149 8.149 7.871 0.278 18225 11881 1 34 . 1 1 49 49 VAL N N 49 119.968 119.968 121.578 -1.610 18225 11882 1 34 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.846 -0.030 18225 11883 1 34 . 1 1 49 49 VAL C C 49 177.444 177.444 175.791 1.653 18225 11884 1 34 . 1 1 49 49 VAL CA C 49 65.943 65.943 65.766 0.177 18225 11885 1 34 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.037 -0.359 18225 11886 1 34 . 1 1 49 49 VAL H H 49 7.969 7.969 8.380 -0.411 18225 11887 1 34 . 1 1 50 50 LEU N N 50 119.329 119.329 112.692 6.637 18225 11888 1 34 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.907 -0.895 18225 11889 1 34 . 1 1 50 50 LEU C C 50 178.085 178.085 176.523 1.562 18225 11890 1 34 . 1 1 50 50 LEU CA C 50 57.917 57.917 54.672 3.244 18225 11891 1 34 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.157 0.549 18225 11892 1 34 . 1 1 50 50 LEU H H 50 7.814 7.814 7.547 0.267 18225 11893 1 34 . 1 1 51 51 TRP N N 51 118.186 118.186 123.877 -5.691 18225 11894 1 34 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.669 -0.180 18225 11895 1 34 . 1 1 51 51 TRP C C 51 177.377 177.377 177.945 -0.568 18225 11896 1 34 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.882 0.176 18225 11897 1 34 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.844 -0.063 18225 11898 1 34 . 1 1 51 51 TRP H H 51 8.125 8.125 8.298 -0.173 18225 11899 1 34 . 1 1 52 52 THR N N 52 113.180 113.180 115.428 -2.248 18225 11900 1 34 . 1 1 52 52 THR HA H 52 3.787 3.787 2.984 0.803 18225 11901 1 34 . 1 1 52 52 THR C C 52 176.309 176.309 176.705 -0.396 18225 11902 1 34 . 1 1 52 52 THR CA C 52 66.473 66.473 65.429 1.044 18225 11903 1 34 . 1 1 52 52 THR CB C 52 68.865 68.865 67.898 0.967 18225 11904 1 34 . 1 1 52 52 THR H H 52 8.079 8.079 8.116 -0.037 18225 11905 1 34 . 1 1 53 53 VAL N N 53 119.953 119.953 120.719 -0.766 18225 11906 1 34 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.583 0.065 18225 11907 1 34 . 1 1 53 53 VAL C C 53 177.252 177.252 177.575 -0.323 18225 11908 1 34 . 1 1 53 53 VAL CA C 53 66.086 66.086 66.927 -0.841 18225 11909 1 34 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.783 -0.079 18225 11910 1 34 . 1 1 53 53 VAL H H 53 7.913 7.913 7.761 0.152 18225 11911 1 34 . 1 1 54 54 PHE N N 54 118.204 118.204 118.539 -0.335 18225 11912 1 34 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.244 0.003 18225 11913 1 34 . 1 1 54 54 PHE C C 54 177.144 177.144 176.865 0.279 18225 11914 1 34 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.980 -0.526 18225 11915 1 34 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.691 0.425 18225 11916 1 34 . 1 1 54 54 PHE H H 54 8.030 8.030 8.372 -0.342 18225 11917 1 34 . 1 1 55 55 ARG N N 55 117.725 117.725 117.026 0.699 18225 11918 1 34 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.366 -0.482 18225 11919 1 34 . 1 1 55 55 ARG C C 55 177.443 177.443 177.279 0.164 18225 11920 1 34 . 1 1 55 55 ARG CA C 55 57.554 57.554 55.963 1.591 18225 11921 1 34 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.301 -0.494 18225 11922 1 34 . 1 1 55 55 ARG H H 55 8.034 8.034 7.353 0.681 18225 11923 1 34 . 1 1 56 56 LYS N N 56 118.622 118.622 121.191 -2.569 18225 11924 1 34 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.104 0.060 18225 11925 1 34 . 1 1 56 56 LYS C C 56 177.418 177.418 177.347 0.071 18225 11926 1 34 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.806 -0.289 18225 11927 1 34 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.668 0.140 18225 11928 1 34 . 1 1 56 56 LYS H H 56 7.804 7.804 8.116 -0.312 18225 11929 1 34 . 1 1 57 57 LYS N N 57 118.937 118.937 117.321 1.616 18225 11930 1 34 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.056 0.202 18225 11931 1 34 . 1 1 57 57 LYS C C 57 177.029 177.029 176.789 0.240 18225 11932 1 34 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.076 -0.466 18225 11933 1 34 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.061 1.817 18225 11934 1 34 . 1 1 57 57 LYS H H 57 7.974 7.974 8.039 -0.065 18225 11935 1 34 . 1 1 58 58 GLY N N 58 107.785 107.785 106.773 1.012 18225 11936 1 34 . 1 1 58 58 GLY C C 58 173.543 173.543 173.689 -0.146 18225 11937 1 34 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.912 0.561 18225 11938 1 34 . 1 1 58 58 GLY H H 58 8.136 8.136 8.863 -0.727 18225 11939 1 34 . 1 1 59 59 HIS N N 59 117.024 117.024 118.275 -1.251 18225 11940 1 34 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.691 -0.069 18225 11941 1 34 . 1 1 59 59 HIS C C 59 174.183 174.183 174.604 -0.421 18225 11942 1 34 . 1 1 59 59 HIS CA C 59 55.281 55.281 56.093 -0.812 18225 11943 1 34 . 1 1 59 59 HIS CB C 59 29.081 29.081 32.312 -3.231 18225 11944 1 34 . 1 1 59 59 HIS H H 59 8.163 8.163 7.720 0.443 18225 11945 1 34 . 1 1 60 60 HIS N N 60 118.841 118.841 120.606 -1.765 18225 11946 1 34 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.908 -0.278 18225 11947 1 34 . 1 1 60 60 HIS C C 60 174.157 174.157 173.073 1.084 18225 11948 1 34 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.527 -1.187 18225 11949 1 34 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.069 -0.965 18225 11950 1 34 . 1 1 60 60 HIS H H 60 8.507 8.507 8.236 0.271 18225 11951 1 34 . 1 1 61 61 HIS N N 61 119.636 119.636 123.232 -3.596 18225 11952 1 34 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.796 -0.142 18225 11953 1 34 . 1 1 61 61 HIS C C 61 174.095 174.095 175.107 -1.012 18225 11954 1 34 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.560 -0.231 18225 11955 1 34 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.268 -1.034 18225 11956 1 34 . 1 1 61 61 HIS H H 61 8.613 8.613 8.415 0.198 18225 11957 1 34 . 1 1 62 62 HIS N N 62 120.286 120.286 123.489 -3.203 18225 11958 1 34 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.798 -0.138 18225 11959 1 34 . 1 1 62 62 HIS C C 62 173.928 173.928 174.578 -0.650 18225 11960 1 34 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.420 -0.064 18225 11961 1 34 . 1 1 62 62 HIS CB C 62 29.329 29.329 31.254 -1.925 18225 11962 1 34 . 1 1 62 62 HIS H H 62 8.680 8.680 9.149 -0.469 18225 11963 1 34 . 1 1 63 63 HIS N N 63 120.408 120.408 117.473 2.935 18225 11964 1 34 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.667 -0.018 18225 11965 1 34 . 1 1 63 63 HIS C C 63 173.437 173.437 174.422 -0.985 18225 11966 1 34 . 1 1 63 63 HIS CA C 63 55.564 55.564 56.236 -0.672 18225 11967 1 34 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.661 -0.178 18225 11968 1 34 . 1 1 63 63 HIS H H 63 8.541 8.541 8.971 -0.430 18225 11969 1 35 . 1 1 2 2 GLU N N 2 123.432 123.432 122.196 1.236 18225 11970 1 35 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.003 0.406 18225 11971 1 35 . 1 1 2 2 GLU C C 2 175.510 175.510 175.826 -0.316 18225 11972 1 35 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.663 -0.447 18225 11973 1 35 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.564 -0.026 18225 11974 1 35 . 1 1 2 2 GLU H H 2 8.824 8.824 8.563 0.261 18225 11975 1 35 . 1 1 3 3 GLU N N 3 121.813 121.813 118.366 3.447 18225 11976 1 35 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.076 0.302 18225 11977 1 35 . 1 1 3 3 GLU C C 3 176.299 176.299 176.493 -0.194 18225 11978 1 35 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.663 -1.371 18225 11979 1 35 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.004 -0.552 18225 11980 1 35 . 1 1 3 3 GLU H H 3 8.546 8.546 8.339 0.207 18225 11981 1 35 . 1 1 4 4 GLY N N 4 109.619 109.619 110.576 -0.957 18225 11982 1 35 . 1 1 4 4 GLY C C 4 174.449 174.449 173.778 0.671 18225 11983 1 35 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.514 1.016 18225 11984 1 35 . 1 1 4 4 GLY H H 4 8.463 8.463 8.408 0.055 18225 11985 1 35 . 1 1 5 5 GLY N N 5 108.241 108.241 108.287 -0.046 18225 11986 1 35 . 1 1 5 5 GLY C C 5 173.965 173.965 174.661 -0.696 18225 11987 1 35 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.670 0.782 18225 11988 1 35 . 1 1 5 5 GLY H H 5 8.220 8.220 7.447 0.773 18225 11989 1 35 . 1 1 6 6 ASP N N 6 119.184 119.184 118.632 0.552 18225 11990 1 35 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.440 0.158 18225 11991 1 35 . 1 1 6 6 ASP C C 6 175.801 175.801 177.393 -1.592 18225 11992 1 35 . 1 1 6 6 ASP CA C 6 53.912 53.912 56.345 -2.433 18225 11993 1 35 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.115 -1.780 18225 11994 1 35 . 1 1 6 6 ASP H H 6 8.329 8.329 8.408 -0.079 18225 11995 1 35 . 1 1 7 7 PHE N N 7 119.589 119.589 111.494 8.095 18225 11996 1 35 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.678 -0.198 18225 11997 1 35 . 1 1 7 7 PHE C C 7 175.881 175.881 173.815 2.066 18225 11998 1 35 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.415 1.406 18225 11999 1 35 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.012 -0.930 18225 12000 1 35 . 1 1 7 7 PHE H H 7 8.342 8.342 7.536 0.806 18225 12001 1 35 . 1 1 8 8 ASP N N 8 118.430 118.430 122.242 -3.812 18225 12002 1 35 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.902 0.554 18225 12003 1 35 . 1 1 8 8 ASP C C 8 175.642 175.642 175.598 0.044 18225 12004 1 35 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.936 -0.333 18225 12005 1 35 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.258 -1.674 18225 12006 1 35 . 1 1 8 8 ASP H H 8 8.223 8.223 7.606 0.617 18225 12007 1 35 . 1 1 9 9 ASN N N 9 117.097 117.097 122.053 -4.956 18225 12008 1 35 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.283 0.276 18225 12009 1 35 . 1 1 9 9 ASN C C 9 175.264 175.264 174.082 1.182 18225 12010 1 35 . 1 1 9 9 ASN CA C 9 53.844 53.844 54.222 -0.378 18225 12011 1 35 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.089 -0.374 18225 12012 1 35 . 1 1 9 9 ASN H H 9 8.069 8.069 7.919 0.150 18225 12013 1 35 . 1 1 10 10 TYR N N 10 119.007 119.007 116.748 2.259 18225 12014 1 35 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.669 -0.320 18225 12015 1 35 . 1 1 10 10 TYR C C 10 175.387 175.387 174.655 0.732 18225 12016 1 35 . 1 1 10 10 TYR CA C 10 59.194 59.194 57.087 2.107 18225 12017 1 35 . 1 1 10 10 TYR CB C 10 38.828 38.828 40.089 -1.261 18225 12018 1 35 . 1 1 10 10 TYR H H 10 7.901 7.901 7.396 0.505 18225 12019 1 35 . 1 1 11 11 TYR N N 11 117.992 117.992 119.413 -1.421 18225 12020 1 35 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.292 0.151 18225 12021 1 35 . 1 1 11 11 TYR C C 11 175.765 175.765 176.576 -0.811 18225 12022 1 35 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.205 0.167 18225 12023 1 35 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.364 0.430 18225 12024 1 35 . 1 1 11 11 TYR H H 11 7.885 7.885 7.857 0.028 18225 12025 1 35 . 1 1 12 12 GLY N N 12 108.601 108.601 112.080 -3.479 18225 12026 1 35 . 1 1 12 12 GLY C C 12 173.934 173.934 174.833 -0.899 18225 12027 1 35 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.016 0.473 18225 12028 1 35 . 1 1 12 12 GLY H H 12 7.861 7.861 8.228 -0.367 18225 12029 1 35 . 1 1 13 13 ALA N N 13 122.926 122.926 122.299 0.627 18225 12030 1 35 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.396 -0.117 18225 12031 1 35 . 1 1 13 13 ALA C C 13 177.457 177.457 178.061 -0.604 18225 12032 1 35 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.426 -0.644 18225 12033 1 35 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.204 0.243 18225 12034 1 35 . 1 1 13 13 ALA H H 13 7.985 7.985 8.117 -0.132 18225 12035 1 35 . 1 1 14 14 ASP N N 14 117.380 117.380 118.179 -0.799 18225 12036 1 35 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.560 0.080 18225 12037 1 35 . 1 1 14 14 ASP C C 14 175.428 175.428 178.058 -2.630 18225 12038 1 35 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.622 -2.950 18225 12039 1 35 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.823 -1.458 18225 12040 1 35 . 1 1 14 14 ASP H H 14 8.330 8.330 8.745 -0.415 18225 12041 1 35 . 1 1 15 15 ASN N N 15 118.465 118.465 117.492 0.973 18225 12042 1 35 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.469 0.170 18225 12043 1 35 . 1 1 15 15 ASN C C 15 175.467 175.467 176.159 -0.692 18225 12044 1 35 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.385 -1.728 18225 12045 1 35 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.966 0.002 18225 12046 1 35 . 1 1 15 15 ASN H H 15 8.207 8.207 7.721 0.486 18225 12047 1 35 . 1 1 16 16 GLN N N 16 119.741 119.741 116.961 2.780 18225 12048 1 35 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.474 -0.159 18225 12049 1 35 . 1 1 16 16 GLN C C 16 176.350 176.350 175.062 1.288 18225 12050 1 35 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.854 0.786 18225 12051 1 35 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.282 0.814 18225 12052 1 35 . 1 1 16 16 GLN H H 16 8.292 8.292 7.851 0.441 18225 12053 1 35 . 1 1 17 17 SER N N 17 115.772 115.772 115.222 0.550 18225 12054 1 35 . 1 1 17 17 SER HA H 17 4.390 4.390 4.607 -0.217 18225 12055 1 35 . 1 1 17 17 SER C C 17 174.799 174.799 173.067 1.732 18225 12056 1 35 . 1 1 17 17 SER CA C 17 59.165 59.165 58.193 0.972 18225 12057 1 35 . 1 1 17 17 SER CB C 17 63.651 63.651 65.472 -1.821 18225 12058 1 35 . 1 1 17 17 SER H H 17 8.224 8.224 7.701 0.523 18225 12059 1 35 . 1 1 18 18 GLU N N 18 121.211 121.211 121.401 -0.190 18225 12060 1 35 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.165 0.153 18225 12061 1 35 . 1 1 18 18 GLU C C 18 176.201 176.201 175.483 0.718 18225 12062 1 35 . 1 1 18 18 GLU CA C 18 56.725 56.725 58.072 -1.347 18225 12063 1 35 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.018 -0.053 18225 12064 1 35 . 1 1 18 18 GLU H H 18 8.285 8.285 8.910 -0.625 18225 12065 1 35 . 1 1 19 19 CYS N N 19 118.653 118.653 119.014 -0.361 18225 12066 1 35 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.567 -0.144 18225 12067 1 35 . 1 1 19 19 CYS C C 19 174.698 174.698 174.075 0.623 18225 12068 1 35 . 1 1 19 19 CYS CA C 19 59.075 59.075 58.125 0.950 18225 12069 1 35 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.015 -0.165 18225 12070 1 35 . 1 1 19 19 CYS H H 19 8.202 8.202 8.416 -0.214 18225 12071 1 35 . 1 1 20 20 GLU N N 20 121.851 121.851 116.417 5.434 18225 12072 1 35 . 1 1 20 20 GLU HA H 20 4.265 4.265 3.869 0.396 18225 12073 1 35 . 1 1 20 20 GLU C C 20 176.100 176.100 174.826 1.274 18225 12074 1 35 . 1 1 20 20 GLU CA C 20 56.822 56.822 58.126 -1.304 18225 12075 1 35 . 1 1 20 20 GLU CB C 20 28.976 28.976 26.692 2.284 18225 12076 1 35 . 1 1 20 20 GLU H H 20 8.349 8.349 8.745 -0.396 18225 12077 1 35 . 1 1 21 21 TYR N N 21 118.491 118.491 119.888 -1.397 18225 12078 1 35 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.884 -0.466 18225 12079 1 35 . 1 1 21 21 TYR C C 21 175.881 175.881 175.590 0.291 18225 12080 1 35 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.077 1.654 18225 12081 1 35 . 1 1 21 21 TYR CB C 21 38.626 38.626 37.593 1.033 18225 12082 1 35 . 1 1 21 21 TYR H H 21 7.974 7.974 8.783 -0.809 18225 12083 1 35 . 1 1 22 22 THR N N 22 112.161 112.161 116.667 -4.506 18225 12084 1 35 . 1 1 22 22 THR HA H 22 4.105 4.105 3.733 0.372 18225 12085 1 35 . 1 1 22 22 THR C C 22 174.666 174.666 173.495 1.171 18225 12086 1 35 . 1 1 22 22 THR CA C 22 63.190 63.190 63.502 -0.312 18225 12087 1 35 . 1 1 22 22 THR CB C 22 69.306 69.306 68.859 0.447 18225 12088 1 35 . 1 1 22 22 THR H H 22 7.747 7.747 8.934 -1.187 18225 12089 1 35 . 1 1 23 23 ASP N N 23 120.529 120.529 119.098 1.431 18225 12090 1 35 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.690 -0.036 18225 12091 1 35 . 1 1 23 23 ASP C C 23 176.119 176.119 175.744 0.375 18225 12092 1 35 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.562 -0.659 18225 12093 1 35 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.437 -1.299 18225 12094 1 35 . 1 1 23 23 ASP H H 23 8.114 8.114 8.821 -0.707 18225 12095 1 35 . 1 1 24 24 TRP N N 24 121.466 121.466 116.656 4.810 18225 12096 1 35 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.623 -0.147 18225 12097 1 35 . 1 1 24 24 TRP C C 24 176.578 176.578 176.124 0.454 18225 12098 1 35 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.020 1.291 18225 12099 1 35 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.487 -0.301 18225 12100 1 35 . 1 1 24 24 TRP H H 24 8.034 8.034 7.127 0.907 18225 12101 1 35 . 1 1 25 25 LYS N N 25 119.430 119.430 118.859 0.571 18225 12102 1 35 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.141 0.904 18225 12103 1 35 . 1 1 25 25 LYS C C 25 176.798 176.798 175.440 1.358 18225 12104 1 35 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.270 0.491 18225 12105 1 35 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.340 1.069 18225 12106 1 35 . 1 1 25 25 LYS H H 25 7.880 7.880 7.054 0.826 18225 12107 1 35 . 1 1 26 26 SER N N 26 113.780 113.780 110.815 2.965 18225 12108 1 35 . 1 1 26 26 SER HA H 26 4.461 4.461 4.493 -0.032 18225 12109 1 35 . 1 1 26 26 SER C C 26 174.957 174.957 173.940 1.017 18225 12110 1 35 . 1 1 26 26 SER CA C 26 58.760 58.760 58.358 0.402 18225 12111 1 35 . 1 1 26 26 SER CB C 26 63.889 63.889 63.035 0.854 18225 12112 1 35 . 1 1 26 26 SER H H 26 7.893 7.893 7.889 0.004 18225 12113 1 35 . 1 1 27 27 SER N N 27 116.730 116.730 117.344 -0.614 18225 12114 1 35 . 1 1 27 27 SER HA H 27 4.328 4.328 4.233 0.095 18225 12115 1 35 . 1 1 27 27 SER C C 27 175.563 175.563 174.430 1.133 18225 12116 1 35 . 1 1 27 27 SER CA C 27 59.856 59.856 59.819 0.037 18225 12117 1 35 . 1 1 27 27 SER CB C 27 63.819 63.819 62.521 1.298 18225 12118 1 35 . 1 1 27 27 SER H H 27 8.137 8.137 8.543 -0.406 18225 12119 1 35 . 1 1 28 28 GLY N N 28 110.734 110.734 105.101 5.633 18225 12120 1 35 . 1 1 28 28 GLY C C 28 174.314 174.314 173.660 0.654 18225 12121 1 35 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.811 0.314 18225 12122 1 35 . 1 1 28 28 GLY H H 28 8.477 8.477 8.027 0.450 18225 12123 1 35 . 1 1 29 29 ALA N N 29 121.690 121.690 122.305 -0.615 18225 12124 1 35 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.400 -0.111 18225 12125 1 35 . 1 1 29 29 ALA C C 29 177.330 177.330 177.549 -0.219 18225 12126 1 35 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.778 0.396 18225 12127 1 35 . 1 1 29 29 ALA CB C 29 19.884 19.884 19.139 0.745 18225 12128 1 35 . 1 1 29 29 ALA H H 29 8.189 8.189 8.289 -0.100 18225 12129 1 35 . 1 1 30 30 LEU N N 30 117.292 117.292 112.626 4.666 18225 12130 1 35 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.874 -0.795 18225 12131 1 35 . 1 1 30 30 LEU C C 30 177.377 177.377 177.056 0.321 18225 12132 1 35 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.566 2.668 18225 12133 1 35 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.590 -0.176 18225 12134 1 35 . 1 1 30 30 LEU H H 30 7.873 7.873 7.869 0.004 18225 12135 1 35 . 1 1 31 31 ILE N N 31 116.517 116.517 120.877 -4.360 18225 12136 1 35 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.337 -0.454 18225 12137 1 35 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.618 2.648 18225 12138 1 35 . 1 1 31 31 ILE CB C 31 34.756 34.756 34.907 -0.151 18225 12139 1 35 . 1 1 31 31 ILE H H 31 8.262 8.262 8.209 0.053 18225 12140 1 35 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.536 -0.324 18225 12141 1 35 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.879 1.114 18225 12142 1 35 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.851 0.141 18225 12143 1 35 . 1 1 33 33 ALA N N 33 118.208 118.208 120.411 -2.203 18225 12144 1 35 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.363 -0.297 18225 12145 1 35 . 1 1 33 33 ALA C C 33 178.814 178.814 178.900 -0.086 18225 12146 1 35 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.811 2.878 18225 12147 1 35 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.684 -1.305 18225 12148 1 35 . 1 1 33 33 ALA H H 33 7.613 7.613 7.425 0.188 18225 12149 1 35 . 1 1 34 34 ILE N N 34 117.730 117.730 119.269 -1.539 18225 12150 1 35 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.606 0.059 18225 12151 1 35 . 1 1 34 34 ILE C C 34 177.826 177.826 177.974 -0.148 18225 12152 1 35 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.143 0.011 18225 12153 1 35 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.352 -0.069 18225 12154 1 35 . 1 1 34 34 ILE H H 34 8.259 8.259 7.500 0.759 18225 12155 1 35 . 1 1 35 35 TYR N N 35 118.693 118.693 120.092 -1.399 18225 12156 1 35 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.094 -0.001 18225 12157 1 35 . 1 1 35 35 TYR C C 35 177.885 177.885 177.136 0.749 18225 12158 1 35 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.839 0.799 18225 12159 1 35 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.036 -0.112 18225 12160 1 35 . 1 1 35 35 TYR H H 35 8.347 8.347 7.662 0.685 18225 12161 1 35 . 1 1 36 36 MET N N 36 117.356 117.356 118.640 -1.284 18225 12162 1 35 . 1 1 36 36 MET HA H 36 4.220 4.220 3.377 0.843 18225 12163 1 35 . 1 1 36 36 MET C C 36 177.903 177.903 178.087 -0.184 18225 12164 1 35 . 1 1 36 36 MET CA C 36 58.653 58.653 57.917 0.736 18225 12165 1 35 . 1 1 36 36 MET CB C 36 32.172 32.172 32.723 -0.551 18225 12166 1 35 . 1 1 36 36 MET H H 36 8.252 8.252 7.584 0.668 18225 12167 1 35 . 1 1 37 37 LEU N N 37 119.978 119.978 119.877 0.101 18225 12168 1 35 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.146 -0.118 18225 12169 1 35 . 1 1 37 37 LEU C C 37 178.393 178.393 176.035 2.358 18225 12170 1 35 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.903 2.739 18225 12171 1 35 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.299 1.690 18225 12172 1 35 . 1 1 37 37 LEU H H 37 8.301 8.301 8.301 -0.000 18225 12173 1 35 . 1 1 38 38 VAL N N 38 117.991 117.991 115.718 2.273 18225 12174 1 35 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.286 -0.784 18225 12175 1 35 . 1 1 38 38 VAL C C 38 177.962 177.962 176.559 1.403 18225 12176 1 35 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.081 4.074 18225 12177 1 35 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.040 -2.625 18225 12178 1 35 . 1 1 38 38 VAL H H 38 8.414 8.414 7.798 0.616 18225 12179 1 35 . 1 1 39 39 PHE N N 39 119.830 119.830 122.743 -2.913 18225 12180 1 35 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.257 -0.079 18225 12181 1 35 . 1 1 39 39 PHE C C 39 178.233 178.233 175.921 2.312 18225 12182 1 35 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.999 0.504 18225 12183 1 35 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.448 -0.390 18225 12184 1 35 . 1 1 39 39 PHE H H 39 8.337 8.337 7.548 0.789 18225 12185 1 35 . 1 1 40 40 LEU N N 40 119.985 119.985 112.038 7.947 18225 12186 1 35 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.235 -0.269 18225 12187 1 35 . 1 1 40 40 LEU C C 40 179.279 179.279 174.963 4.316 18225 12188 1 35 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.385 3.487 18225 12189 1 35 . 1 1 40 40 LEU CB C 40 42.387 42.387 43.337 -0.950 18225 12190 1 35 . 1 1 40 40 LEU H H 40 8.603 8.603 7.228 1.375 18225 12191 1 35 . 1 1 41 41 LEU N N 41 118.649 118.649 120.937 -2.288 18225 12192 1 35 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.503 -0.459 18225 12193 1 35 . 1 1 41 41 LEU C C 41 178.670 178.670 175.975 2.695 18225 12194 1 35 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.128 2.555 18225 12195 1 35 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.764 -0.834 18225 12196 1 35 . 1 1 41 41 LEU H H 41 8.486 8.486 7.433 1.053 18225 12197 1 35 . 1 1 42 42 GLY N N 42 105.262 105.262 111.233 -5.971 18225 12198 1 35 . 1 1 42 42 GLY C C 42 174.814 174.814 173.888 0.926 18225 12199 1 35 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.020 0.385 18225 12200 1 35 . 1 1 42 42 GLY H H 42 8.289 8.289 8.361 -0.072 18225 12201 1 35 . 1 1 43 43 THR N N 43 111.955 111.955 115.361 -3.406 18225 12202 1 35 . 1 1 43 43 THR HA H 43 4.243 4.243 4.449 -0.206 18225 12203 1 35 . 1 1 43 43 THR C C 43 175.888 175.888 175.607 0.281 18225 12204 1 35 . 1 1 43 43 THR CA C 43 63.505 63.505 62.981 0.524 18225 12205 1 35 . 1 1 43 43 THR CB C 43 69.598 69.598 69.757 -0.159 18225 12206 1 35 . 1 1 43 43 THR H H 43 7.891 7.891 7.738 0.153 18225 12207 1 35 . 1 1 44 44 THR N N 44 111.997 111.997 117.645 -5.648 18225 12208 1 35 . 1 1 44 44 THR HA H 44 4.320 4.320 4.104 0.216 18225 12209 1 35 . 1 1 44 44 THR C C 44 175.543 175.543 174.742 0.801 18225 12210 1 35 . 1 1 44 44 THR CA C 44 63.009 63.009 64.220 -1.211 18225 12211 1 35 . 1 1 44 44 THR CB C 44 69.881 69.881 68.874 1.007 18225 12212 1 35 . 1 1 44 44 THR H H 44 7.740 7.740 8.313 -0.573 18225 12213 1 35 . 1 1 45 45 GLY N N 45 109.564 109.564 108.250 1.314 18225 12214 1 35 . 1 1 45 45 GLY C C 45 174.928 174.928 173.194 1.734 18225 12215 1 35 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.590 1.830 18225 12216 1 35 . 1 1 45 45 GLY H H 45 8.243 8.243 8.116 0.127 18225 12217 1 35 . 1 1 46 46 ASN N N 46 117.851 117.851 120.354 -2.503 18225 12218 1 35 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.386 0.331 18225 12219 1 35 . 1 1 46 46 ASN C C 46 176.127 176.127 175.297 0.830 18225 12220 1 35 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.917 0.697 18225 12221 1 35 . 1 1 46 46 ASN CB C 46 39.311 39.311 36.838 2.473 18225 12222 1 35 . 1 1 46 46 ASN H H 46 8.170 8.170 8.485 -0.315 18225 12223 1 35 . 1 1 47 47 GLY N N 47 108.287 108.287 112.357 -4.070 18225 12224 1 35 . 1 1 47 47 GLY C C 47 174.612 174.612 175.142 -0.530 18225 12225 1 35 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.211 2.030 18225 12226 1 35 . 1 1 47 47 GLY H H 47 8.663 8.663 8.554 0.109 18225 12227 1 35 . 1 1 48 48 LEU N N 48 120.479 120.479 123.164 -2.685 18225 12228 1 35 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.823 -0.555 18225 12229 1 35 . 1 1 48 48 LEU C C 48 179.407 179.407 177.635 1.772 18225 12230 1 35 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.688 0.904 18225 12231 1 35 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.801 -1.063 18225 12232 1 35 . 1 1 48 48 LEU H H 48 8.149 8.149 8.547 -0.398 18225 12233 1 35 . 1 1 49 49 VAL N N 49 119.968 119.968 112.966 7.002 18225 12234 1 35 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.131 -0.315 18225 12235 1 35 . 1 1 49 49 VAL C C 49 177.444 177.444 176.254 1.190 18225 12236 1 35 . 1 1 49 49 VAL CA C 49 65.943 65.943 62.961 2.982 18225 12237 1 35 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.294 0.384 18225 12238 1 35 . 1 1 49 49 VAL H H 49 7.969 7.969 7.414 0.555 18225 12239 1 35 . 1 1 50 50 LEU N N 50 119.329 119.329 119.333 -0.004 18225 12240 1 35 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.713 -0.701 18225 12241 1 35 . 1 1 50 50 LEU C C 50 178.085 178.085 177.111 0.974 18225 12242 1 35 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.333 2.584 18225 12243 1 35 . 1 1 50 50 LEU CB C 50 41.706 41.706 43.029 -1.323 18225 12244 1 35 . 1 1 50 50 LEU H H 50 7.814 7.814 7.680 0.134 18225 12245 1 35 . 1 1 51 51 TRP N N 51 118.186 118.186 122.273 -4.087 18225 12246 1 35 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.830 -0.341 18225 12247 1 35 . 1 1 51 51 TRP C C 51 177.377 177.377 177.349 0.028 18225 12248 1 35 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.259 0.799 18225 12249 1 35 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.260 -0.479 18225 12250 1 35 . 1 1 51 51 TRP H H 51 8.125 8.125 7.610 0.515 18225 12251 1 35 . 1 1 52 52 THR N N 52 113.180 113.180 113.815 -0.635 18225 12252 1 35 . 1 1 52 52 THR HA H 52 3.787 3.787 3.311 0.476 18225 12253 1 35 . 1 1 52 52 THR C C 52 176.309 176.309 176.160 0.149 18225 12254 1 35 . 1 1 52 52 THR CA C 52 66.473 66.473 64.093 2.380 18225 12255 1 35 . 1 1 52 52 THR CB C 52 68.865 68.865 67.791 1.074 18225 12256 1 35 . 1 1 52 52 THR H H 52 8.079 8.079 7.146 0.933 18225 12257 1 35 . 1 1 53 53 VAL N N 53 119.953 119.953 120.171 -0.218 18225 12258 1 35 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.614 0.034 18225 12259 1 35 . 1 1 53 53 VAL C C 53 177.252 177.252 176.959 0.293 18225 12260 1 35 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.366 0.720 18225 12261 1 35 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.559 0.145 18225 12262 1 35 . 1 1 53 53 VAL H H 53 7.913 7.913 7.809 0.104 18225 12263 1 35 . 1 1 54 54 PHE N N 54 118.204 118.204 116.636 1.568 18225 12264 1 35 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.249 -0.002 18225 12265 1 35 . 1 1 54 54 PHE C C 54 177.144 177.144 175.683 1.461 18225 12266 1 35 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.457 0.997 18225 12267 1 35 . 1 1 54 54 PHE CB C 54 39.116 39.116 39.088 0.028 18225 12268 1 35 . 1 1 54 54 PHE H H 54 8.030 8.030 8.050 -0.020 18225 12269 1 35 . 1 1 55 55 ARG N N 55 117.725 117.725 117.802 -0.077 18225 12270 1 35 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.328 -0.444 18225 12271 1 35 . 1 1 55 55 ARG C C 55 177.443 177.443 177.616 -0.173 18225 12272 1 35 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.510 0.044 18225 12273 1 35 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.953 -1.146 18225 12274 1 35 . 1 1 55 55 ARG H H 55 8.034 8.034 7.601 0.433 18225 12275 1 35 . 1 1 56 56 LYS N N 56 118.622 118.622 120.065 -1.443 18225 12276 1 35 . 1 1 56 56 LYS HA H 56 4.164 4.164 3.936 0.228 18225 12277 1 35 . 1 1 56 56 LYS C C 56 177.418 177.418 178.143 -0.725 18225 12278 1 35 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.893 -1.376 18225 12279 1 35 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.528 0.280 18225 12280 1 35 . 1 1 56 56 LYS H H 56 7.804 7.804 7.671 0.133 18225 12281 1 35 . 1 1 57 57 LYS N N 57 118.937 118.937 115.747 3.190 18225 12282 1 35 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.932 0.326 18225 12283 1 35 . 1 1 57 57 LYS C C 57 177.029 177.029 177.516 -0.487 18225 12284 1 35 . 1 1 57 57 LYS CA C 57 56.610 56.610 56.834 -0.224 18225 12285 1 35 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.685 1.193 18225 12286 1 35 . 1 1 57 57 LYS H H 57 7.974 7.974 7.482 0.492 18225 12287 1 35 . 1 1 58 58 GLY N N 58 107.785 107.785 108.333 -0.548 18225 12288 1 35 . 1 1 58 58 GLY C C 58 173.543 173.543 174.243 -0.700 18225 12289 1 35 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.154 -0.681 18225 12290 1 35 . 1 1 58 58 GLY H H 58 8.136 8.136 7.351 0.785 18225 12291 1 35 . 1 1 59 59 HIS N N 59 117.024 117.024 121.794 -4.770 18225 12292 1 35 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.740 -0.118 18225 12293 1 35 . 1 1 59 59 HIS C C 59 174.183 174.183 173.779 0.404 18225 12294 1 35 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.606 -0.326 18225 12295 1 35 . 1 1 59 59 HIS CB C 59 29.081 29.081 30.572 -1.491 18225 12296 1 35 . 1 1 59 59 HIS H H 59 8.163 8.163 8.139 0.024 18225 12297 1 35 . 1 1 60 60 HIS N N 60 118.841 118.841 118.835 0.006 18225 12298 1 35 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.732 -0.102 18225 12299 1 35 . 1 1 60 60 HIS C C 60 174.157 174.157 173.398 0.759 18225 12300 1 35 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.159 -0.819 18225 12301 1 35 . 1 1 60 60 HIS CB C 60 29.104 29.104 33.061 -3.957 18225 12302 1 35 . 1 1 60 60 HIS H H 60 8.507 8.507 7.749 0.758 18225 12303 1 35 . 1 1 61 61 HIS N N 61 119.636 119.636 119.425 0.211 18225 12304 1 35 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.849 -0.195 18225 12305 1 35 . 1 1 61 61 HIS C C 61 174.095 174.095 174.776 -0.681 18225 12306 1 35 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.780 -0.451 18225 12307 1 35 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.527 -1.293 18225 12308 1 35 . 1 1 61 61 HIS H H 61 8.613 8.613 8.725 -0.112 18225 12309 1 35 . 1 1 62 62 HIS N N 62 120.286 120.286 123.136 -2.850 18225 12310 1 35 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.430 0.230 18225 12311 1 35 . 1 1 62 62 HIS C C 62 173.928 173.928 175.486 -1.558 18225 12312 1 35 . 1 1 62 62 HIS CA C 62 55.356 55.356 57.339 -1.983 18225 12313 1 35 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.223 -0.894 18225 12314 1 35 . 1 1 62 62 HIS H H 62 8.680 8.680 8.742 -0.062 18225 12315 1 35 . 1 1 63 63 HIS N N 63 120.408 120.408 113.818 6.590 18225 12316 1 35 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.754 -0.105 18225 12317 1 35 . 1 1 63 63 HIS C C 63 173.437 173.437 175.127 -1.690 18225 12318 1 35 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.772 -0.208 18225 12319 1 35 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.935 0.548 18225 12320 1 35 . 1 1 63 63 HIS H H 63 8.541 8.541 7.774 0.767 18225 12321 1 36 . 1 1 2 2 GLU N N 2 123.432 123.432 123.563 -0.131 18225 12322 1 36 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.514 -0.105 18225 12323 1 36 . 1 1 2 2 GLU C C 2 175.510 175.510 175.465 0.045 18225 12324 1 36 . 1 1 2 2 GLU CA C 2 56.216 56.216 57.109 -0.893 18225 12325 1 36 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.950 -1.412 18225 12326 1 36 . 1 1 2 2 GLU H H 2 8.824 8.824 8.765 0.059 18225 12327 1 36 . 1 1 3 3 GLU N N 3 121.813 121.813 121.760 0.053 18225 12328 1 36 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.141 0.237 18225 12329 1 36 . 1 1 3 3 GLU C C 3 176.299 176.299 177.294 -0.995 18225 12330 1 36 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.429 -1.137 18225 12331 1 36 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.068 -0.616 18225 12332 1 36 . 1 1 3 3 GLU H H 3 8.546 8.546 8.611 -0.065 18225 12333 1 36 . 1 1 4 4 GLY N N 4 109.619 109.619 107.975 1.644 18225 12334 1 36 . 1 1 4 4 GLY C C 4 174.449 174.449 173.713 0.736 18225 12335 1 36 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.822 0.708 18225 12336 1 36 . 1 1 4 4 GLY H H 4 8.463 8.463 8.659 -0.196 18225 12337 1 36 . 1 1 5 5 GLY N N 5 108.241 108.241 110.314 -2.073 18225 12338 1 36 . 1 1 5 5 GLY C C 5 173.965 173.965 173.391 0.574 18225 12339 1 36 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.919 0.533 18225 12340 1 36 . 1 1 5 5 GLY H H 5 8.220 8.220 8.120 0.100 18225 12341 1 36 . 1 1 6 6 ASP N N 6 119.184 119.184 123.784 -4.600 18225 12342 1 36 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.595 0.003 18225 12343 1 36 . 1 1 6 6 ASP C C 6 175.801 175.801 175.263 0.538 18225 12344 1 36 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.784 -1.872 18225 12345 1 36 . 1 1 6 6 ASP CB C 6 39.335 39.335 39.693 -0.358 18225 12346 1 36 . 1 1 6 6 ASP H H 6 8.329 8.329 8.557 -0.228 18225 12347 1 36 . 1 1 7 7 PHE N N 7 119.589 119.589 119.275 0.314 18225 12348 1 36 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.620 -0.140 18225 12349 1 36 . 1 1 7 7 PHE C C 7 175.881 175.881 175.128 0.753 18225 12350 1 36 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.011 0.810 18225 12351 1 36 . 1 1 7 7 PHE CB C 7 39.082 39.082 40.455 -1.373 18225 12352 1 36 . 1 1 7 7 PHE H H 7 8.342 8.342 8.237 0.105 18225 12353 1 36 . 1 1 8 8 ASP N N 8 118.430 118.430 120.428 -1.998 18225 12354 1 36 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.447 0.009 18225 12355 1 36 . 1 1 8 8 ASP C C 8 175.642 175.642 175.572 0.070 18225 12356 1 36 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.405 -0.802 18225 12357 1 36 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.022 -2.438 18225 12358 1 36 . 1 1 8 8 ASP H H 8 8.223 8.223 8.948 -0.725 18225 12359 1 36 . 1 1 9 9 ASN N N 9 117.097 117.097 121.924 -4.827 18225 12360 1 36 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.829 -0.270 18225 12361 1 36 . 1 1 9 9 ASN C C 9 175.264 175.264 176.057 -0.793 18225 12362 1 36 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.304 0.540 18225 12363 1 36 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.582 -0.867 18225 12364 1 36 . 1 1 9 9 ASN H H 9 8.069 8.069 8.793 -0.724 18225 12365 1 36 . 1 1 10 10 TYR N N 10 119.007 119.007 118.223 0.784 18225 12366 1 36 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.083 0.266 18225 12367 1 36 . 1 1 10 10 TYR C C 10 175.387 175.387 175.886 -0.499 18225 12368 1 36 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.752 -1.558 18225 12369 1 36 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.479 1.349 18225 12370 1 36 . 1 1 10 10 TYR H H 10 7.901 7.901 8.674 -0.773 18225 12371 1 36 . 1 1 11 11 TYR N N 11 117.992 117.992 119.344 -1.352 18225 12372 1 36 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.157 0.286 18225 12373 1 36 . 1 1 11 11 TYR C C 11 175.765 175.765 176.504 -0.739 18225 12374 1 36 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.104 -0.732 18225 12375 1 36 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.273 1.520 18225 12376 1 36 . 1 1 11 11 TYR H H 11 7.885 7.885 8.352 -0.467 18225 12377 1 36 . 1 1 12 12 GLY N N 12 108.601 108.601 108.094 0.507 18225 12378 1 36 . 1 1 12 12 GLY C C 12 173.934 173.934 174.307 -0.373 18225 12379 1 36 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.843 -0.354 18225 12380 1 36 . 1 1 12 12 GLY H H 12 7.861 7.861 8.859 -0.998 18225 12381 1 36 . 1 1 13 13 ALA N N 13 122.926 122.926 123.059 -0.133 18225 12382 1 36 . 1 1 13 13 ALA HA H 13 4.279 4.279 3.828 0.451 18225 12383 1 36 . 1 1 13 13 ALA C C 13 177.457 177.457 179.257 -1.800 18225 12384 1 36 . 1 1 13 13 ALA CA C 13 52.782 52.782 54.613 -1.831 18225 12385 1 36 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.172 2.275 18225 12386 1 36 . 1 1 13 13 ALA H H 13 7.985 7.985 7.593 0.392 18225 12387 1 36 . 1 1 14 14 ASP N N 14 117.380 117.380 119.874 -2.494 18225 12388 1 36 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.346 0.294 18225 12389 1 36 . 1 1 14 14 ASP C C 14 175.428 175.428 178.437 -3.009 18225 12390 1 36 . 1 1 14 14 ASP CA C 14 53.672 53.672 57.054 -3.382 18225 12391 1 36 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.499 -1.134 18225 12392 1 36 . 1 1 14 14 ASP H H 14 8.330 8.330 8.724 -0.394 18225 12393 1 36 . 1 1 15 15 ASN N N 15 118.465 118.465 115.485 2.980 18225 12394 1 36 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.418 0.221 18225 12395 1 36 . 1 1 15 15 ASN C C 15 175.467 175.467 175.427 0.040 18225 12396 1 36 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.185 -1.528 18225 12397 1 36 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.564 0.404 18225 12398 1 36 . 1 1 15 15 ASN H H 15 8.207 8.207 8.210 -0.003 18225 12399 1 36 . 1 1 16 16 GLN N N 16 119.741 119.741 117.378 2.363 18225 12400 1 36 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.130 0.185 18225 12401 1 36 . 1 1 16 16 GLN C C 16 176.350 176.350 175.341 1.009 18225 12402 1 36 . 1 1 16 16 GLN CA C 16 56.640 56.640 54.083 2.557 18225 12403 1 36 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.233 0.863 18225 12404 1 36 . 1 1 16 16 GLN H H 16 8.292 8.292 7.759 0.533 18225 12405 1 36 . 1 1 17 17 SER N N 17 115.772 115.772 117.306 -1.534 18225 12406 1 36 . 1 1 17 17 SER HA H 17 4.390 4.390 4.489 -0.099 18225 12407 1 36 . 1 1 17 17 SER C C 17 174.799 174.799 174.369 0.430 18225 12408 1 36 . 1 1 17 17 SER CA C 17 59.165 59.165 58.548 0.617 18225 12409 1 36 . 1 1 17 17 SER CB C 17 63.651 63.651 62.833 0.818 18225 12410 1 36 . 1 1 17 17 SER H H 17 8.224 8.224 7.674 0.550 18225 12411 1 36 . 1 1 18 18 GLU N N 18 121.211 121.211 121.104 0.107 18225 12412 1 36 . 1 1 18 18 GLU HA H 18 4.318 4.318 3.987 0.331 18225 12413 1 36 . 1 1 18 18 GLU C C 18 176.201 176.201 175.622 0.579 18225 12414 1 36 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.598 -0.873 18225 12415 1 36 . 1 1 18 18 GLU CB C 18 28.965 28.965 27.786 1.179 18225 12416 1 36 . 1 1 18 18 GLU H H 18 8.285 8.285 8.568 -0.283 18225 12417 1 36 . 1 1 19 19 CYS N N 19 118.653 118.653 118.956 -0.303 18225 12418 1 36 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.333 0.090 18225 12419 1 36 . 1 1 19 19 CYS C C 19 174.698 174.698 175.048 -0.350 18225 12420 1 36 . 1 1 19 19 CYS CA C 19 59.075 59.075 60.351 -1.276 18225 12421 1 36 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.956 -1.106 18225 12422 1 36 . 1 1 19 19 CYS H H 19 8.202 8.202 8.256 -0.054 18225 12423 1 36 . 1 1 20 20 GLU N N 20 121.851 121.851 116.545 5.306 18225 12424 1 36 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.338 -0.073 18225 12425 1 36 . 1 1 20 20 GLU C C 20 176.100 176.100 174.820 1.280 18225 12426 1 36 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.376 0.446 18225 12427 1 36 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.040 -0.064 18225 12428 1 36 . 1 1 20 20 GLU H H 20 8.349 8.349 8.223 0.126 18225 12429 1 36 . 1 1 21 21 TYR N N 21 118.491 118.491 119.663 -1.172 18225 12430 1 36 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.021 -0.603 18225 12431 1 36 . 1 1 21 21 TYR C C 21 175.881 175.881 176.218 -0.337 18225 12432 1 36 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.510 0.221 18225 12433 1 36 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.992 -0.366 18225 12434 1 36 . 1 1 21 21 TYR H H 21 7.974 7.974 8.269 -0.295 18225 12435 1 36 . 1 1 22 22 THR N N 22 112.161 112.161 112.565 -0.404 18225 12436 1 36 . 1 1 22 22 THR HA H 22 4.105 4.105 4.377 -0.272 18225 12437 1 36 . 1 1 22 22 THR C C 22 174.666 174.666 174.092 0.574 18225 12438 1 36 . 1 1 22 22 THR CA C 22 63.190 63.190 63.541 -0.351 18225 12439 1 36 . 1 1 22 22 THR CB C 22 69.306 69.306 68.969 0.337 18225 12440 1 36 . 1 1 22 22 THR H H 22 7.747 7.747 8.224 -0.477 18225 12441 1 36 . 1 1 23 23 ASP N N 23 120.529 120.529 121.570 -1.041 18225 12442 1 36 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.690 -0.036 18225 12443 1 36 . 1 1 23 23 ASP C C 23 176.119 176.119 176.469 -0.350 18225 12444 1 36 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.791 -0.888 18225 12445 1 36 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.889 -1.751 18225 12446 1 36 . 1 1 23 23 ASP H H 23 8.114 8.114 8.427 -0.313 18225 12447 1 36 . 1 1 24 24 TRP N N 24 121.466 121.466 116.415 5.051 18225 12448 1 36 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.658 -0.182 18225 12449 1 36 . 1 1 24 24 TRP C C 24 176.578 176.578 175.484 1.094 18225 12450 1 36 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.864 1.448 18225 12451 1 36 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.739 -0.553 18225 12452 1 36 . 1 1 24 24 TRP H H 24 8.034 8.034 7.359 0.675 18225 12453 1 36 . 1 1 25 25 LYS N N 25 119.430 119.430 121.066 -1.636 18225 12454 1 36 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.953 1.092 18225 12455 1 36 . 1 1 25 25 LYS C C 25 176.798 176.798 175.039 1.759 18225 12456 1 36 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.614 1.147 18225 12457 1 36 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.658 0.751 18225 12458 1 36 . 1 1 25 25 LYS H H 25 7.880 7.880 6.349 1.531 18225 12459 1 36 . 1 1 26 26 SER N N 26 113.780 113.780 117.475 -3.695 18225 12460 1 36 . 1 1 26 26 SER HA H 26 4.461 4.461 4.481 -0.020 18225 12461 1 36 . 1 1 26 26 SER C C 26 174.957 174.957 173.660 1.297 18225 12462 1 36 . 1 1 26 26 SER CA C 26 58.760 58.760 57.923 0.837 18225 12463 1 36 . 1 1 26 26 SER CB C 26 63.889 63.889 65.024 -1.135 18225 12464 1 36 . 1 1 26 26 SER H H 26 7.893 7.893 7.372 0.521 18225 12465 1 36 . 1 1 27 27 SER N N 27 116.730 116.730 122.043 -5.313 18225 12466 1 36 . 1 1 27 27 SER HA H 27 4.328 4.328 4.325 0.003 18225 12467 1 36 . 1 1 27 27 SER C C 27 175.563 175.563 174.505 1.058 18225 12468 1 36 . 1 1 27 27 SER CA C 27 59.856 59.856 58.390 1.466 18225 12469 1 36 . 1 1 27 27 SER CB C 27 63.819 63.819 62.030 1.789 18225 12470 1 36 . 1 1 27 27 SER H H 27 8.137 8.137 8.716 -0.579 18225 12471 1 36 . 1 1 28 28 GLY N N 28 110.734 110.734 110.844 -0.110 18225 12472 1 36 . 1 1 28 28 GLY C C 28 174.314 174.314 174.518 -0.204 18225 12473 1 36 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.668 1.457 18225 12474 1 36 . 1 1 28 28 GLY H H 28 8.477 8.477 8.459 0.018 18225 12475 1 36 . 1 1 29 29 ALA N N 29 121.690 121.690 118.570 3.120 18225 12476 1 36 . 1 1 29 29 ALA HA H 29 4.289 4.289 3.973 0.316 18225 12477 1 36 . 1 1 29 29 ALA C C 29 177.330 177.330 176.952 0.378 18225 12478 1 36 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.790 0.384 18225 12479 1 36 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.722 2.162 18225 12480 1 36 . 1 1 29 29 ALA H H 29 8.189 8.189 7.869 0.320 18225 12481 1 36 . 1 1 30 30 LEU N N 30 117.292 117.292 118.103 -0.811 18225 12482 1 36 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.366 -0.287 18225 12483 1 36 . 1 1 30 30 LEU C C 30 177.377 177.377 178.367 -0.990 18225 12484 1 36 . 1 1 30 30 LEU CA C 30 58.234 58.234 56.301 1.933 18225 12485 1 36 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.044 0.370 18225 12486 1 36 . 1 1 30 30 LEU H H 30 7.873 7.873 7.950 -0.077 18225 12487 1 36 . 1 1 31 31 ILE N N 31 116.517 116.517 121.432 -4.915 18225 12488 1 36 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.060 -0.177 18225 12489 1 36 . 1 1 31 31 ILE CA C 31 66.266 66.266 66.137 0.129 18225 12490 1 36 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.121 -0.365 18225 12491 1 36 . 1 1 31 31 ILE H H 31 8.262 8.262 8.076 0.186 18225 12492 1 36 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.289 -0.077 18225 12493 1 36 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.647 0.346 18225 12494 1 36 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.891 0.101 18225 12495 1 36 . 1 1 33 33 ALA N N 33 118.208 118.208 120.296 -2.088 18225 12496 1 36 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.361 -0.295 18225 12497 1 36 . 1 1 33 33 ALA C C 33 178.814 178.814 179.358 -0.544 18225 12498 1 36 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.062 2.627 18225 12499 1 36 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.752 -1.373 18225 12500 1 36 . 1 1 33 33 ALA H H 33 7.613 7.613 7.071 0.542 18225 12501 1 36 . 1 1 34 34 ILE N N 34 117.730 117.730 119.797 -2.067 18225 12502 1 36 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.641 0.024 18225 12503 1 36 . 1 1 34 34 ILE C C 34 177.826 177.826 177.860 -0.034 18225 12504 1 36 . 1 1 34 34 ILE CA C 34 65.154 65.154 65.024 0.130 18225 12505 1 36 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.087 -0.803 18225 12506 1 36 . 1 1 34 34 ILE H H 34 8.259 8.259 7.920 0.339 18225 12507 1 36 . 1 1 35 35 TYR N N 35 118.693 118.693 119.310 -0.617 18225 12508 1 36 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.324 -0.231 18225 12509 1 36 . 1 1 35 35 TYR C C 35 177.885 177.885 176.863 1.022 18225 12510 1 36 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.298 0.340 18225 12511 1 36 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.726 -0.802 18225 12512 1 36 . 1 1 35 35 TYR H H 35 8.347 8.347 8.301 0.046 18225 12513 1 36 . 1 1 36 36 MET N N 36 117.356 117.356 120.039 -2.683 18225 12514 1 36 . 1 1 36 36 MET HA H 36 4.220 4.220 4.329 -0.109 18225 12515 1 36 . 1 1 36 36 MET C C 36 177.903 177.903 177.247 0.656 18225 12516 1 36 . 1 1 36 36 MET CA C 36 58.653 58.653 58.824 -0.171 18225 12517 1 36 . 1 1 36 36 MET CB C 36 32.172 32.172 33.112 -0.940 18225 12518 1 36 . 1 1 36 36 MET H H 36 8.252 8.252 8.196 0.056 18225 12519 1 36 . 1 1 37 37 LEU N N 37 119.978 119.978 118.000 1.978 18225 12520 1 36 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.147 -0.119 18225 12521 1 36 . 1 1 37 37 LEU C C 37 178.393 178.393 177.189 1.204 18225 12522 1 36 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.733 1.909 18225 12523 1 36 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.959 1.030 18225 12524 1 36 . 1 1 37 37 LEU H H 37 8.301 8.301 8.165 0.136 18225 12525 1 36 . 1 1 38 38 VAL N N 38 117.991 117.991 116.899 1.092 18225 12526 1 36 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.979 -0.477 18225 12527 1 36 . 1 1 38 38 VAL C C 38 177.962 177.962 176.053 1.909 18225 12528 1 36 . 1 1 38 38 VAL CA C 38 67.155 67.155 62.949 4.206 18225 12529 1 36 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.819 -2.405 18225 12530 1 36 . 1 1 38 38 VAL H H 38 8.414 8.414 7.250 1.164 18225 12531 1 36 . 1 1 39 39 PHE N N 39 119.830 119.830 122.581 -2.751 18225 12532 1 36 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.057 0.121 18225 12533 1 36 . 1 1 39 39 PHE C C 39 178.233 178.233 175.951 2.282 18225 12534 1 36 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.822 0.680 18225 12535 1 36 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.390 -0.332 18225 12536 1 36 . 1 1 39 39 PHE H H 39 8.337 8.337 7.574 0.763 18225 12537 1 36 . 1 1 40 40 LEU N N 40 119.985 119.985 111.519 8.466 18225 12538 1 36 . 1 1 40 40 LEU HA H 40 3.966 3.966 3.991 -0.025 18225 12539 1 36 . 1 1 40 40 LEU C C 40 179.279 179.279 176.215 3.064 18225 12540 1 36 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.106 2.765 18225 12541 1 36 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.670 0.717 18225 12542 1 36 . 1 1 40 40 LEU H H 40 8.603 8.603 7.063 1.540 18225 12543 1 36 . 1 1 41 41 LEU N N 41 118.649 118.649 116.724 1.925 18225 12544 1 36 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.431 -0.387 18225 12545 1 36 . 1 1 41 41 LEU C C 41 178.670 178.670 176.902 1.768 18225 12546 1 36 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.682 3.001 18225 12547 1 36 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.441 -0.510 18225 12548 1 36 . 1 1 41 41 LEU H H 41 8.486 8.486 7.331 1.155 18225 12549 1 36 . 1 1 42 42 GLY N N 42 105.262 105.262 106.142 -0.880 18225 12550 1 36 . 1 1 42 42 GLY C C 42 174.814 174.814 174.389 0.425 18225 12551 1 36 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.864 0.541 18225 12552 1 36 . 1 1 42 42 GLY H H 42 8.289 8.289 7.689 0.600 18225 12553 1 36 . 1 1 43 43 THR N N 43 111.955 111.955 114.543 -2.588 18225 12554 1 36 . 1 1 43 43 THR HA H 43 4.243 4.243 4.420 -0.177 18225 12555 1 36 . 1 1 43 43 THR C C 43 175.888 175.888 175.810 0.078 18225 12556 1 36 . 1 1 43 43 THR CA C 43 63.505 63.505 63.626 -0.121 18225 12557 1 36 . 1 1 43 43 THR CB C 43 69.598 69.598 69.864 -0.266 18225 12558 1 36 . 1 1 43 43 THR H H 43 7.891 7.891 7.536 0.355 18225 12559 1 36 . 1 1 44 44 THR N N 44 111.997 111.997 118.480 -6.483 18225 12560 1 36 . 1 1 44 44 THR HA H 44 4.320 4.320 4.154 0.166 18225 12561 1 36 . 1 1 44 44 THR C C 44 175.543 175.543 175.941 -0.398 18225 12562 1 36 . 1 1 44 44 THR CA C 44 63.009 63.009 65.391 -2.382 18225 12563 1 36 . 1 1 44 44 THR CB C 44 69.881 69.881 68.827 1.054 18225 12564 1 36 . 1 1 44 44 THR H H 44 7.740 7.740 7.880 -0.140 18225 12565 1 36 . 1 1 45 45 GLY N N 45 109.564 109.564 110.569 -1.005 18225 12566 1 36 . 1 1 45 45 GLY C C 45 174.928 174.928 174.863 0.065 18225 12567 1 36 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.275 1.145 18225 12568 1 36 . 1 1 45 45 GLY H H 45 8.243 8.243 8.279 -0.036 18225 12569 1 36 . 1 1 46 46 ASN N N 46 117.851 117.851 118.282 -0.431 18225 12570 1 36 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.501 0.216 18225 12571 1 36 . 1 1 46 46 ASN C C 46 176.127 176.127 175.264 0.863 18225 12572 1 36 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.473 1.141 18225 12573 1 36 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.099 1.212 18225 12574 1 36 . 1 1 46 46 ASN H H 46 8.170 8.170 7.905 0.265 18225 12575 1 36 . 1 1 47 47 GLY N N 47 108.287 108.287 109.570 -1.283 18225 12576 1 36 . 1 1 47 47 GLY C C 47 174.612 174.612 174.982 -0.370 18225 12577 1 36 . 1 1 47 47 GLY CA C 47 47.241 47.241 44.937 2.304 18225 12578 1 36 . 1 1 47 47 GLY H H 47 8.663 8.663 8.256 0.407 18225 12579 1 36 . 1 1 48 48 LEU N N 48 120.479 120.479 120.719 -0.240 18225 12580 1 36 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.730 -0.462 18225 12581 1 36 . 1 1 48 48 LEU C C 48 179.407 179.407 177.257 2.150 18225 12582 1 36 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.655 1.937 18225 12583 1 36 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.971 -0.233 18225 12584 1 36 . 1 1 48 48 LEU H H 48 8.149 8.149 7.983 0.166 18225 12585 1 36 . 1 1 49 49 VAL N N 49 119.968 119.968 117.794 2.174 18225 12586 1 36 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.138 -0.322 18225 12587 1 36 . 1 1 49 49 VAL C C 49 177.444 177.444 176.233 1.211 18225 12588 1 36 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.280 2.663 18225 12589 1 36 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.457 -0.779 18225 12590 1 36 . 1 1 49 49 VAL H H 49 7.969 7.969 7.953 0.016 18225 12591 1 36 . 1 1 50 50 LEU N N 50 119.329 119.329 117.518 1.811 18225 12592 1 36 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.866 -0.854 18225 12593 1 36 . 1 1 50 50 LEU C C 50 178.085 178.085 176.984 1.101 18225 12594 1 36 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.521 2.396 18225 12595 1 36 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.152 -0.446 18225 12596 1 36 . 1 1 50 50 LEU H H 50 7.814 7.814 7.508 0.306 18225 12597 1 36 . 1 1 51 51 TRP N N 51 118.186 118.186 123.502 -5.316 18225 12598 1 36 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.737 -0.248 18225 12599 1 36 . 1 1 51 51 TRP C C 51 177.377 177.377 177.395 -0.018 18225 12600 1 36 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.295 0.763 18225 12601 1 36 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.849 -0.068 18225 12602 1 36 . 1 1 51 51 TRP H H 51 8.125 8.125 8.184 -0.059 18225 12603 1 36 . 1 1 52 52 THR N N 52 113.180 113.180 114.887 -1.707 18225 12604 1 36 . 1 1 52 52 THR HA H 52 3.787 3.787 3.250 0.537 18225 12605 1 36 . 1 1 52 52 THR C C 52 176.309 176.309 175.799 0.510 18225 12606 1 36 . 1 1 52 52 THR CA C 52 66.473 66.473 64.667 1.806 18225 12607 1 36 . 1 1 52 52 THR CB C 52 68.865 68.865 67.823 1.042 18225 12608 1 36 . 1 1 52 52 THR H H 52 8.079 8.079 7.869 0.210 18225 12609 1 36 . 1 1 53 53 VAL N N 53 119.953 119.953 119.433 0.520 18225 12610 1 36 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.726 -0.078 18225 12611 1 36 . 1 1 53 53 VAL C C 53 177.252 177.252 176.850 0.402 18225 12612 1 36 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.188 0.898 18225 12613 1 36 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.519 0.185 18225 12614 1 36 . 1 1 53 53 VAL H H 53 7.913 7.913 8.031 -0.118 18225 12615 1 36 . 1 1 54 54 PHE N N 54 118.204 118.204 117.648 0.556 18225 12616 1 36 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.399 -0.152 18225 12617 1 36 . 1 1 54 54 PHE C C 54 177.144 177.144 175.637 1.507 18225 12618 1 36 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.229 1.225 18225 12619 1 36 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.047 1.069 18225 12620 1 36 . 1 1 54 54 PHE H H 54 8.030 8.030 8.230 -0.200 18225 12621 1 36 . 1 1 55 55 ARG N N 55 117.725 117.725 117.323 0.402 18225 12622 1 36 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.345 -0.461 18225 12623 1 36 . 1 1 55 55 ARG C C 55 177.443 177.443 176.626 0.817 18225 12624 1 36 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.690 0.864 18225 12625 1 36 . 1 1 55 55 ARG CB C 55 29.807 29.807 31.768 -1.961 18225 12626 1 36 . 1 1 55 55 ARG H H 55 8.034 8.034 7.669 0.365 18225 12627 1 36 . 1 1 56 56 LYS N N 56 118.622 118.622 119.327 -0.705 18225 12628 1 36 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.327 -0.163 18225 12629 1 36 . 1 1 56 56 LYS C C 56 177.418 177.418 176.996 0.422 18225 12630 1 36 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.609 0.908 18225 12631 1 36 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.669 0.139 18225 12632 1 36 . 1 1 56 56 LYS H H 56 7.804 7.804 7.691 0.113 18225 12633 1 36 . 1 1 57 57 LYS N N 57 118.937 118.937 124.352 -5.415 18225 12634 1 36 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.159 0.099 18225 12635 1 36 . 1 1 57 57 LYS C C 57 177.029 177.029 176.424 0.605 18225 12636 1 36 . 1 1 57 57 LYS CA C 57 56.610 56.610 55.865 0.745 18225 12637 1 36 . 1 1 57 57 LYS CB C 57 32.878 32.878 30.372 2.506 18225 12638 1 36 . 1 1 57 57 LYS H H 57 7.974 7.974 7.507 0.467 18225 12639 1 36 . 1 1 58 58 GLY N N 58 107.785 107.785 108.764 -0.979 18225 12640 1 36 . 1 1 58 58 GLY C C 58 173.543 173.543 172.817 0.726 18225 12641 1 36 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.009 0.464 18225 12642 1 36 . 1 1 58 58 GLY H H 58 8.136 8.136 8.146 -0.010 18225 12643 1 36 . 1 1 59 59 HIS N N 59 117.024 117.024 114.932 2.092 18225 12644 1 36 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.212 0.410 18225 12645 1 36 . 1 1 59 59 HIS C C 59 174.183 174.183 173.438 0.745 18225 12646 1 36 . 1 1 59 59 HIS CA C 59 55.281 55.281 54.026 1.255 18225 12647 1 36 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.133 -0.052 18225 12648 1 36 . 1 1 59 59 HIS H H 59 8.163 8.163 7.298 0.865 18225 12649 1 36 . 1 1 60 60 HIS N N 60 118.841 118.841 122.399 -3.558 18225 12650 1 36 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.331 0.299 18225 12651 1 36 . 1 1 60 60 HIS C C 60 174.157 174.157 175.527 -1.370 18225 12652 1 36 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.940 -1.600 18225 12653 1 36 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.791 -0.687 18225 12654 1 36 . 1 1 60 60 HIS H H 60 8.507 8.507 7.648 0.859 18225 12655 1 36 . 1 1 61 61 HIS N N 61 119.636 119.636 120.108 -0.472 18225 12656 1 36 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.277 0.377 18225 12657 1 36 . 1 1 61 61 HIS C C 61 174.095 174.095 173.459 0.636 18225 12658 1 36 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.247 -0.918 18225 12659 1 36 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.169 -0.935 18225 12660 1 36 . 1 1 61 61 HIS H H 61 8.613 8.613 8.600 0.013 18225 12661 1 36 . 1 1 62 62 HIS N N 62 120.286 120.286 117.195 3.091 18225 12662 1 36 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.081 0.579 18225 12663 1 36 . 1 1 62 62 HIS C C 62 173.928 173.928 173.543 0.385 18225 12664 1 36 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.313 0.043 18225 12665 1 36 . 1 1 62 62 HIS CB C 62 29.329 29.329 32.316 -2.987 18225 12666 1 36 . 1 1 62 62 HIS H H 62 8.680 8.680 7.496 1.184 18225 12667 1 36 . 1 1 63 63 HIS N N 63 120.408 120.408 116.141 4.267 18225 12668 1 36 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.780 -0.131 18225 12669 1 36 . 1 1 63 63 HIS C C 63 173.437 173.437 173.872 -0.435 18225 12670 1 36 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.599 -0.035 18225 12671 1 36 . 1 1 63 63 HIS CB C 63 29.483 29.483 28.786 0.697 18225 12672 1 36 . 1 1 63 63 HIS H H 63 8.541 8.541 8.614 -0.073 18225 12673 1 37 . 1 1 2 2 GLU N N 2 123.432 123.432 120.746 2.686 18225 12674 1 37 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.136 0.273 18225 12675 1 37 . 1 1 2 2 GLU C C 2 175.510 175.510 175.778 -0.268 18225 12676 1 37 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.626 -0.410 18225 12677 1 37 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.085 0.453 18225 12678 1 37 . 1 1 2 2 GLU H H 2 8.824 8.824 8.458 0.366 18225 12679 1 37 . 1 1 3 3 GLU N N 3 121.813 121.813 118.548 3.265 18225 12680 1 37 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.014 0.364 18225 12681 1 37 . 1 1 3 3 GLU C C 3 176.299 176.299 177.614 -1.315 18225 12682 1 37 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.811 -1.519 18225 12683 1 37 . 1 1 3 3 GLU CB C 3 29.452 29.452 29.897 -0.445 18225 12684 1 37 . 1 1 3 3 GLU H H 3 8.546 8.546 8.383 0.163 18225 12685 1 37 . 1 1 4 4 GLY N N 4 109.619 109.619 108.499 1.120 18225 12686 1 37 . 1 1 4 4 GLY C C 4 174.449 174.449 173.492 0.957 18225 12687 1 37 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.732 0.798 18225 12688 1 37 . 1 1 4 4 GLY H H 4 8.463 8.463 8.683 -0.220 18225 12689 1 37 . 1 1 5 5 GLY N N 5 108.241 108.241 108.360 -0.119 18225 12690 1 37 . 1 1 5 5 GLY C C 5 173.965 173.965 172.946 1.019 18225 12691 1 37 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.720 0.732 18225 12692 1 37 . 1 1 5 5 GLY H H 5 8.220 8.220 7.735 0.485 18225 12693 1 37 . 1 1 6 6 ASP N N 6 119.184 119.184 121.956 -2.772 18225 12694 1 37 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.477 0.121 18225 12695 1 37 . 1 1 6 6 ASP C C 6 175.801 175.801 177.148 -1.347 18225 12696 1 37 . 1 1 6 6 ASP CA C 6 53.912 53.912 54.670 -0.758 18225 12697 1 37 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.893 -1.558 18225 12698 1 37 . 1 1 6 6 ASP H H 6 8.329 8.329 8.544 -0.215 18225 12699 1 37 . 1 1 7 7 PHE N N 7 119.589 119.589 119.942 -0.353 18225 12700 1 37 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.242 0.238 18225 12701 1 37 . 1 1 7 7 PHE C C 7 175.881 175.881 175.626 0.255 18225 12702 1 37 . 1 1 7 7 PHE CA C 7 58.821 58.821 60.623 -1.802 18225 12703 1 37 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.584 -0.502 18225 12704 1 37 . 1 1 7 7 PHE H H 7 8.342 8.342 7.820 0.522 18225 12705 1 37 . 1 1 8 8 ASP N N 8 118.430 118.430 119.453 -1.023 18225 12706 1 37 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.534 -0.078 18225 12707 1 37 . 1 1 8 8 ASP C C 8 175.642 175.642 175.656 -0.014 18225 12708 1 37 . 1 1 8 8 ASP CA C 8 54.603 54.603 55.910 -1.307 18225 12709 1 37 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.323 -1.739 18225 12710 1 37 . 1 1 8 8 ASP H H 8 8.223 8.223 8.171 0.052 18225 12711 1 37 . 1 1 9 9 ASN N N 9 117.097 117.097 120.967 -3.870 18225 12712 1 37 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.621 -0.062 18225 12713 1 37 . 1 1 9 9 ASN C C 9 175.264 175.264 175.224 0.040 18225 12714 1 37 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.835 0.009 18225 12715 1 37 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.892 -1.177 18225 12716 1 37 . 1 1 9 9 ASN H H 9 8.069 8.069 8.185 -0.116 18225 12717 1 37 . 1 1 10 10 TYR N N 10 119.007 119.007 119.097 -0.090 18225 12718 1 37 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.493 -0.144 18225 12719 1 37 . 1 1 10 10 TYR C C 10 175.387 175.387 177.090 -1.703 18225 12720 1 37 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.737 0.457 18225 12721 1 37 . 1 1 10 10 TYR CB C 10 38.828 38.828 38.398 0.430 18225 12722 1 37 . 1 1 10 10 TYR H H 10 7.901 7.901 7.701 0.200 18225 12723 1 37 . 1 1 11 11 TYR N N 11 117.992 117.992 118.923 -0.931 18225 12724 1 37 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.114 0.329 18225 12725 1 37 . 1 1 11 11 TYR C C 11 175.765 175.765 177.066 -1.301 18225 12726 1 37 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.770 -1.398 18225 12727 1 37 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.560 1.234 18225 12728 1 37 . 1 1 11 11 TYR H H 11 7.885 7.885 8.501 -0.616 18225 12729 1 37 . 1 1 12 12 GLY N N 12 108.601 108.601 109.305 -0.704 18225 12730 1 37 . 1 1 12 12 GLY C C 12 173.934 173.934 173.120 0.814 18225 12731 1 37 . 1 1 12 12 GLY CA C 12 45.489 45.489 44.518 0.971 18225 12732 1 37 . 1 1 12 12 GLY H H 12 7.861 7.861 8.592 -0.731 18225 12733 1 37 . 1 1 13 13 ALA N N 13 122.926 122.926 125.299 -2.373 18225 12734 1 37 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.370 -0.091 18225 12735 1 37 . 1 1 13 13 ALA C C 13 177.457 177.457 176.184 1.273 18225 12736 1 37 . 1 1 13 13 ALA CA C 13 52.782 52.782 51.299 1.483 18225 12737 1 37 . 1 1 13 13 ALA CB C 13 19.447 19.447 17.773 1.674 18225 12738 1 37 . 1 1 13 13 ALA H H 13 7.985 7.985 8.075 -0.090 18225 12739 1 37 . 1 1 14 14 ASP N N 14 117.380 117.380 121.143 -3.763 18225 12740 1 37 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.294 0.346 18225 12741 1 37 . 1 1 14 14 ASP C C 14 175.428 175.428 175.510 -0.082 18225 12742 1 37 . 1 1 14 14 ASP CA C 14 53.672 53.672 55.625 -1.953 18225 12743 1 37 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.265 -0.900 18225 12744 1 37 . 1 1 14 14 ASP H H 14 8.330 8.330 8.316 0.014 18225 12745 1 37 . 1 1 15 15 ASN N N 15 118.465 118.465 116.184 2.281 18225 12746 1 37 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.693 -0.054 18225 12747 1 37 . 1 1 15 15 ASN C C 15 175.467 175.467 175.291 0.176 18225 12748 1 37 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.678 -1.021 18225 12749 1 37 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.946 -0.978 18225 12750 1 37 . 1 1 15 15 ASN H H 15 8.207 8.207 8.536 -0.329 18225 12751 1 37 . 1 1 16 16 GLN N N 16 119.741 119.741 118.455 1.286 18225 12752 1 37 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.579 -0.264 18225 12753 1 37 . 1 1 16 16 GLN C C 16 176.350 176.350 175.111 1.239 18225 12754 1 37 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.371 1.269 18225 12755 1 37 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.607 0.489 18225 12756 1 37 . 1 1 16 16 GLN H H 16 8.292 8.292 8.301 -0.009 18225 12757 1 37 . 1 1 17 17 SER N N 17 115.772 115.772 116.741 -0.969 18225 12758 1 37 . 1 1 17 17 SER HA H 17 4.390 4.390 4.379 0.011 18225 12759 1 37 . 1 1 17 17 SER C C 17 174.799 174.799 174.042 0.757 18225 12760 1 37 . 1 1 17 17 SER CA C 17 59.165 59.165 57.813 1.352 18225 12761 1 37 . 1 1 17 17 SER CB C 17 63.651 63.651 62.385 1.266 18225 12762 1 37 . 1 1 17 17 SER H H 17 8.224 8.224 7.912 0.312 18225 12763 1 37 . 1 1 18 18 GLU N N 18 121.211 121.211 122.642 -1.431 18225 12764 1 37 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.001 0.317 18225 12765 1 37 . 1 1 18 18 GLU C C 18 176.201 176.201 175.475 0.726 18225 12766 1 37 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.816 -1.091 18225 12767 1 37 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.947 0.018 18225 12768 1 37 . 1 1 18 18 GLU H H 18 8.285 8.285 8.818 -0.533 18225 12769 1 37 . 1 1 19 19 CYS N N 19 118.653 118.653 116.251 2.402 18225 12770 1 37 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.621 -0.198 18225 12771 1 37 . 1 1 19 19 CYS C C 19 174.698 174.698 174.821 -0.123 18225 12772 1 37 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.275 -0.200 18225 12773 1 37 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.798 -1.948 18225 12774 1 37 . 1 1 19 19 CYS H H 19 8.202 8.202 8.493 -0.291 18225 12775 1 37 . 1 1 20 20 GLU N N 20 121.851 121.851 117.091 4.760 18225 12776 1 37 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.558 -0.293 18225 12777 1 37 . 1 1 20 20 GLU C C 20 176.100 176.100 175.072 1.028 18225 12778 1 37 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.259 0.563 18225 12779 1 37 . 1 1 20 20 GLU CB C 20 28.976 28.976 31.600 -2.624 18225 12780 1 37 . 1 1 20 20 GLU H H 20 8.349 8.349 8.540 -0.191 18225 12781 1 37 . 1 1 21 21 TYR N N 21 118.491 118.491 117.527 0.964 18225 12782 1 37 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.707 -0.289 18225 12783 1 37 . 1 1 21 21 TYR C C 21 175.881 175.881 176.342 -0.461 18225 12784 1 37 . 1 1 21 21 TYR CA C 21 58.731 58.731 59.049 -0.318 18225 12785 1 37 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.281 0.345 18225 12786 1 37 . 1 1 21 21 TYR H H 21 7.974 7.974 8.085 -0.111 18225 12787 1 37 . 1 1 22 22 THR N N 22 112.161 112.161 111.243 0.918 18225 12788 1 37 . 1 1 22 22 THR HA H 22 4.105 4.105 3.635 0.470 18225 12789 1 37 . 1 1 22 22 THR C C 22 174.666 174.666 174.901 -0.235 18225 12790 1 37 . 1 1 22 22 THR CA C 22 63.190 63.190 62.047 1.143 18225 12791 1 37 . 1 1 22 22 THR CB C 22 69.306 69.306 68.252 1.054 18225 12792 1 37 . 1 1 22 22 THR H H 22 7.747 7.747 7.318 0.429 18225 12793 1 37 . 1 1 23 23 ASP N N 23 120.529 120.529 121.618 -1.089 18225 12794 1 37 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.439 0.215 18225 12795 1 37 . 1 1 23 23 ASP C C 23 176.119 176.119 175.500 0.619 18225 12796 1 37 . 1 1 23 23 ASP CA C 23 53.903 53.903 56.278 -2.375 18225 12797 1 37 . 1 1 23 23 ASP CB C 23 39.138 39.138 41.003 -1.865 18225 12798 1 37 . 1 1 23 23 ASP H H 23 8.114 8.114 8.381 -0.267 18225 12799 1 37 . 1 1 24 24 TRP N N 24 121.466 121.466 117.382 4.084 18225 12800 1 37 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.825 -0.349 18225 12801 1 37 . 1 1 24 24 TRP C C 24 176.578 176.578 174.548 2.030 18225 12802 1 37 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.101 3.210 18225 12803 1 37 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.488 -0.302 18225 12804 1 37 . 1 1 24 24 TRP H H 24 8.034 8.034 7.534 0.500 18225 12805 1 37 . 1 1 25 25 LYS N N 25 119.430 119.430 124.017 -4.587 18225 12806 1 37 . 1 1 25 25 LYS HA H 25 4.045 4.045 4.136 -0.091 18225 12807 1 37 . 1 1 25 25 LYS C C 25 176.798 176.798 175.384 1.414 18225 12808 1 37 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.196 1.565 18225 12809 1 37 . 1 1 25 25 LYS CB C 25 32.409 32.409 33.222 -0.813 18225 12810 1 37 . 1 1 25 25 LYS H H 25 7.880 7.880 8.391 -0.511 18225 12811 1 37 . 1 1 26 26 SER N N 26 113.780 113.780 112.994 0.786 18225 12812 1 37 . 1 1 26 26 SER HA H 26 4.461 4.461 4.542 -0.081 18225 12813 1 37 . 1 1 26 26 SER C C 26 174.957 174.957 173.744 1.213 18225 12814 1 37 . 1 1 26 26 SER CA C 26 58.760 58.760 57.783 0.977 18225 12815 1 37 . 1 1 26 26 SER CB C 26 63.889 63.889 64.790 -0.901 18225 12816 1 37 . 1 1 26 26 SER H H 26 7.893 7.893 7.480 0.413 18225 12817 1 37 . 1 1 27 27 SER N N 27 116.730 116.730 117.576 -0.846 18225 12818 1 37 . 1 1 27 27 SER HA H 27 4.328 4.328 4.719 -0.391 18225 12819 1 37 . 1 1 27 27 SER C C 27 175.563 175.563 175.005 0.558 18225 12820 1 37 . 1 1 27 27 SER CA C 27 59.856 59.856 58.272 1.584 18225 12821 1 37 . 1 1 27 27 SER CB C 27 63.819 63.819 64.139 -0.320 18225 12822 1 37 . 1 1 27 27 SER H H 27 8.137 8.137 8.508 -0.371 18225 12823 1 37 . 1 1 28 28 GLY N N 28 110.734 110.734 107.300 3.434 18225 12824 1 37 . 1 1 28 28 GLY C C 28 174.314 174.314 174.309 0.005 18225 12825 1 37 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.924 1.201 18225 12826 1 37 . 1 1 28 28 GLY H H 28 8.477 8.477 8.224 0.253 18225 12827 1 37 . 1 1 29 29 ALA N N 29 121.690 121.690 120.733 0.957 18225 12828 1 37 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.073 0.216 18225 12829 1 37 . 1 1 29 29 ALA C C 29 177.330 177.330 177.934 -0.604 18225 12830 1 37 . 1 1 29 29 ALA CA C 29 53.174 53.174 54.504 -1.330 18225 12831 1 37 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.025 2.859 18225 12832 1 37 . 1 1 29 29 ALA H H 29 8.189 8.189 8.334 -0.145 18225 12833 1 37 . 1 1 30 30 LEU N N 30 117.292 117.292 112.742 4.550 18225 12834 1 37 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.628 -0.549 18225 12835 1 37 . 1 1 30 30 LEU C C 30 177.377 177.377 178.325 -0.948 18225 12836 1 37 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.646 2.588 18225 12837 1 37 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.387 0.027 18225 12838 1 37 . 1 1 30 30 LEU H H 30 7.873 7.873 7.924 -0.051 18225 12839 1 37 . 1 1 31 31 ILE N N 31 116.517 116.517 122.816 -6.299 18225 12840 1 37 . 1 1 31 31 ILE HA H 31 3.883 3.883 3.946 -0.063 18225 12841 1 37 . 1 1 31 31 ILE CA C 31 66.266 66.266 67.058 -0.792 18225 12842 1 37 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.215 -0.459 18225 12843 1 37 . 1 1 31 31 ILE H H 31 8.262 8.262 8.193 0.069 18225 12844 1 37 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.182 0.030 18225 12845 1 37 . 1 1 32 32 PRO CA C 32 65.993 65.993 65.276 0.717 18225 12846 1 37 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.584 0.408 18225 12847 1 37 . 1 1 33 33 ALA N N 33 118.208 118.208 120.764 -2.556 18225 12848 1 37 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.349 -0.283 18225 12849 1 37 . 1 1 33 33 ALA C C 33 178.814 178.814 179.031 -0.217 18225 12850 1 37 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.788 1.901 18225 12851 1 37 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.487 -1.108 18225 12852 1 37 . 1 1 33 33 ALA H H 33 7.613 7.613 7.812 -0.199 18225 12853 1 37 . 1 1 34 34 ILE N N 34 117.730 117.730 119.279 -1.549 18225 12854 1 37 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.704 -0.039 18225 12855 1 37 . 1 1 34 34 ILE C C 34 177.826 177.826 177.078 0.748 18225 12856 1 37 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.832 0.322 18225 12857 1 37 . 1 1 34 34 ILE CB C 34 37.283 37.283 37.742 -0.459 18225 12858 1 37 . 1 1 34 34 ILE H H 34 8.259 8.259 7.592 0.667 18225 12859 1 37 . 1 1 35 35 TYR N N 35 118.693 118.693 117.708 0.985 18225 12860 1 37 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.305 -0.212 18225 12861 1 37 . 1 1 35 35 TYR C C 35 177.885 177.885 177.177 0.708 18225 12862 1 37 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.171 0.467 18225 12863 1 37 . 1 1 35 35 TYR CB C 35 37.924 37.924 39.845 -1.921 18225 12864 1 37 . 1 1 35 35 TYR H H 35 8.347 8.347 7.882 0.465 18225 12865 1 37 . 1 1 36 36 MET N N 36 117.356 117.356 119.872 -2.516 18225 12866 1 37 . 1 1 36 36 MET HA H 36 4.220 4.220 4.298 -0.078 18225 12867 1 37 . 1 1 36 36 MET C C 36 177.903 177.903 177.831 0.072 18225 12868 1 37 . 1 1 36 36 MET CA C 36 58.653 58.653 58.504 0.149 18225 12869 1 37 . 1 1 36 36 MET CB C 36 32.172 32.172 32.630 -0.458 18225 12870 1 37 . 1 1 36 36 MET H H 36 8.252 8.252 7.505 0.747 18225 12871 1 37 . 1 1 37 37 LEU N N 37 119.978 119.978 119.357 0.621 18225 12872 1 37 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.187 -0.159 18225 12873 1 37 . 1 1 37 37 LEU C C 37 178.393 178.393 176.309 2.084 18225 12874 1 37 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.899 2.743 18225 12875 1 37 . 1 1 37 37 LEU CB C 37 41.989 41.989 39.931 2.058 18225 12876 1 37 . 1 1 37 37 LEU H H 37 8.301 8.301 8.111 0.190 18225 12877 1 37 . 1 1 38 38 VAL N N 38 117.991 117.991 116.211 1.780 18225 12878 1 37 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.148 -0.646 18225 12879 1 37 . 1 1 38 38 VAL C C 38 177.962 177.962 176.598 1.364 18225 12880 1 37 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.846 3.309 18225 12881 1 37 . 1 1 38 38 VAL CB C 38 31.415 31.415 33.972 -2.557 18225 12882 1 37 . 1 1 38 38 VAL H H 38 8.414 8.414 8.003 0.411 18225 12883 1 37 . 1 1 39 39 PHE N N 39 119.830 119.830 120.014 -0.184 18225 12884 1 37 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.283 -0.105 18225 12885 1 37 . 1 1 39 39 PHE C C 39 178.233 178.233 175.916 2.317 18225 12886 1 37 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.814 0.689 18225 12887 1 37 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.382 -0.324 18225 12888 1 37 . 1 1 39 39 PHE H H 39 8.337 8.337 7.704 0.633 18225 12889 1 37 . 1 1 40 40 LEU N N 40 119.985 119.985 114.066 5.919 18225 12890 1 37 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.634 -0.668 18225 12891 1 37 . 1 1 40 40 LEU C C 40 179.279 179.279 175.334 3.945 18225 12892 1 37 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.871 3.001 18225 12893 1 37 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.706 0.681 18225 12894 1 37 . 1 1 40 40 LEU H H 40 8.603 8.603 7.656 0.947 18225 12895 1 37 . 1 1 41 41 LEU N N 41 118.649 118.649 119.961 -1.312 18225 12896 1 37 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.472 -0.428 18225 12897 1 37 . 1 1 41 41 LEU C C 41 178.670 178.670 177.083 1.587 18225 12898 1 37 . 1 1 41 41 LEU CA C 41 57.683 57.683 56.643 1.040 18225 12899 1 37 . 1 1 41 41 LEU CB C 41 41.931 41.931 43.524 -1.593 18225 12900 1 37 . 1 1 41 41 LEU H H 41 8.486 8.486 7.354 1.132 18225 12901 1 37 . 1 1 42 42 GLY N N 42 105.262 105.262 106.504 -1.242 18225 12902 1 37 . 1 1 42 42 GLY C C 42 174.814 174.814 175.171 -0.357 18225 12903 1 37 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.829 -0.424 18225 12904 1 37 . 1 1 42 42 GLY H H 42 8.289 8.289 8.080 0.209 18225 12905 1 37 . 1 1 43 43 THR N N 43 111.955 111.955 114.400 -2.445 18225 12906 1 37 . 1 1 43 43 THR HA H 43 4.243 4.243 4.211 0.032 18225 12907 1 37 . 1 1 43 43 THR C C 43 175.888 175.888 175.528 0.360 18225 12908 1 37 . 1 1 43 43 THR CA C 43 63.505 63.505 63.818 -0.312 18225 12909 1 37 . 1 1 43 43 THR CB C 43 69.598 69.598 68.750 0.848 18225 12910 1 37 . 1 1 43 43 THR H H 43 7.891 7.891 7.863 0.028 18225 12911 1 37 . 1 1 44 44 THR N N 44 111.997 111.997 115.078 -3.081 18225 12912 1 37 . 1 1 44 44 THR HA H 44 4.320 4.320 4.286 0.034 18225 12913 1 37 . 1 1 44 44 THR C C 44 175.543 175.543 175.997 -0.454 18225 12914 1 37 . 1 1 44 44 THR CA C 44 63.009 63.009 64.125 -1.116 18225 12915 1 37 . 1 1 44 44 THR CB C 44 69.881 69.881 68.816 1.065 18225 12916 1 37 . 1 1 44 44 THR H H 44 7.740 7.740 7.993 -0.253 18225 12917 1 37 . 1 1 45 45 GLY N N 45 109.564 109.564 109.798 -0.234 18225 12918 1 37 . 1 1 45 45 GLY C C 45 174.928 174.928 173.832 1.096 18225 12919 1 37 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.318 1.102 18225 12920 1 37 . 1 1 45 45 GLY H H 45 8.243 8.243 8.319 -0.076 18225 12921 1 37 . 1 1 46 46 ASN N N 46 117.851 117.851 119.135 -1.284 18225 12922 1 37 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.730 -0.013 18225 12923 1 37 . 1 1 46 46 ASN C C 46 176.127 176.127 173.977 2.150 18225 12924 1 37 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.697 0.917 18225 12925 1 37 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.771 -0.460 18225 12926 1 37 . 1 1 46 46 ASN H H 46 8.170 8.170 7.484 0.686 18225 12927 1 37 . 1 1 47 47 GLY N N 47 108.287 108.287 109.944 -1.657 18225 12928 1 37 . 1 1 47 47 GLY C C 47 174.612 174.612 173.275 1.337 18225 12929 1 37 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.711 1.530 18225 12930 1 37 . 1 1 47 47 GLY H H 47 8.663 8.663 8.509 0.154 18225 12931 1 37 . 1 1 48 48 LEU N N 48 120.479 120.479 120.242 0.237 18225 12932 1 37 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.860 -0.592 18225 12933 1 37 . 1 1 48 48 LEU C C 48 179.407 179.407 176.768 2.639 18225 12934 1 37 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.582 2.010 18225 12935 1 37 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.976 -1.238 18225 12936 1 37 . 1 1 48 48 LEU H H 48 8.149 8.149 7.909 0.240 18225 12937 1 37 . 1 1 49 49 VAL N N 49 119.968 119.968 116.646 3.322 18225 12938 1 37 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.039 -0.223 18225 12939 1 37 . 1 1 49 49 VAL C C 49 177.444 177.444 175.706 1.738 18225 12940 1 37 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.898 2.046 18225 12941 1 37 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.293 -0.615 18225 12942 1 37 . 1 1 49 49 VAL H H 49 7.969 7.969 7.804 0.165 18225 12943 1 37 . 1 1 50 50 LEU N N 50 119.329 119.329 115.100 4.229 18225 12944 1 37 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.862 -0.850 18225 12945 1 37 . 1 1 50 50 LEU C C 50 178.085 178.085 177.014 1.071 18225 12946 1 37 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.321 2.596 18225 12947 1 37 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.499 -0.793 18225 12948 1 37 . 1 1 50 50 LEU H H 50 7.814 7.814 7.642 0.172 18225 12949 1 37 . 1 1 51 51 TRP N N 51 118.186 118.186 123.419 -5.233 18225 12950 1 37 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.835 -0.346 18225 12951 1 37 . 1 1 51 51 TRP C C 51 177.377 177.377 177.551 -0.174 18225 12952 1 37 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.308 0.750 18225 12953 1 37 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.303 -0.522 18225 12954 1 37 . 1 1 51 51 TRP H H 51 8.125 8.125 7.963 0.162 18225 12955 1 37 . 1 1 52 52 THR N N 52 113.180 113.180 114.266 -1.086 18225 12956 1 37 . 1 1 52 52 THR HA H 52 3.787 3.787 3.687 0.100 18225 12957 1 37 . 1 1 52 52 THR C C 52 176.309 176.309 176.436 -0.127 18225 12958 1 37 . 1 1 52 52 THR CA C 52 66.473 66.473 65.232 1.241 18225 12959 1 37 . 1 1 52 52 THR CB C 52 68.865 68.865 68.881 -0.016 18225 12960 1 37 . 1 1 52 52 THR H H 52 8.079 8.079 7.476 0.603 18225 12961 1 37 . 1 1 53 53 VAL N N 53 119.953 119.953 121.908 -1.955 18225 12962 1 37 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.674 -0.026 18225 12963 1 37 . 1 1 53 53 VAL C C 53 177.252 177.252 178.005 -0.753 18225 12964 1 37 . 1 1 53 53 VAL CA C 53 66.086 66.086 66.238 -0.152 18225 12965 1 37 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.301 0.403 18225 12966 1 37 . 1 1 53 53 VAL H H 53 7.913 7.913 8.206 -0.293 18225 12967 1 37 . 1 1 54 54 PHE N N 54 118.204 118.204 120.659 -2.455 18225 12968 1 37 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.114 0.133 18225 12969 1 37 . 1 1 54 54 PHE C C 54 177.144 177.144 177.501 -0.357 18225 12970 1 37 . 1 1 54 54 PHE CA C 54 60.454 60.454 62.044 -1.590 18225 12971 1 37 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.985 0.131 18225 12972 1 37 . 1 1 54 54 PHE H H 54 8.030 8.030 8.183 -0.153 18225 12973 1 37 . 1 1 55 55 ARG N N 55 117.725 117.725 118.106 -0.381 18225 12974 1 37 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.014 -0.130 18225 12975 1 37 . 1 1 55 55 ARG C C 55 177.443 177.443 178.079 -0.636 18225 12976 1 37 . 1 1 55 55 ARG CA C 55 57.554 57.554 59.256 -1.702 18225 12977 1 37 . 1 1 55 55 ARG CB C 55 29.807 29.807 29.788 0.018 18225 12978 1 37 . 1 1 55 55 ARG H H 55 8.034 8.034 8.088 -0.054 18225 12979 1 37 . 1 1 56 56 LYS N N 56 118.622 118.622 117.926 0.696 18225 12980 1 37 . 1 1 56 56 LYS HA H 56 4.164 4.164 3.990 0.174 18225 12981 1 37 . 1 1 56 56 LYS C C 56 177.418 177.418 177.242 0.176 18225 12982 1 37 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.515 0.002 18225 12983 1 37 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.246 0.562 18225 12984 1 37 . 1 1 56 56 LYS H H 56 7.804 7.804 7.598 0.206 18225 12985 1 37 . 1 1 57 57 LYS N N 57 118.937 118.937 115.933 3.004 18225 12986 1 37 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.943 0.315 18225 12987 1 37 . 1 1 57 57 LYS C C 57 177.029 177.029 177.551 -0.522 18225 12988 1 37 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.143 -0.533 18225 12989 1 37 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.796 1.083 18225 12990 1 37 . 1 1 57 57 LYS H H 57 7.974 7.974 7.570 0.404 18225 12991 1 37 . 1 1 58 58 GLY N N 58 107.785 107.785 108.258 -0.473 18225 12992 1 37 . 1 1 58 58 GLY C C 58 173.543 173.543 174.886 -1.343 18225 12993 1 37 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.739 0.734 18225 12994 1 37 . 1 1 58 58 GLY H H 58 8.136 8.136 7.270 0.866 18225 12995 1 37 . 1 1 59 59 HIS N N 59 117.024 117.024 114.464 2.560 18225 12996 1 37 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.755 0.867 18225 12997 1 37 . 1 1 59 59 HIS C C 59 174.183 174.183 176.102 -1.919 18225 12998 1 37 . 1 1 59 59 HIS CA C 59 55.281 55.281 57.072 -1.792 18225 12999 1 37 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.309 -0.228 18225 13000 1 37 . 1 1 59 59 HIS H H 59 8.163 8.163 6.824 1.339 18225 13001 1 37 . 1 1 60 60 HIS N N 60 118.841 118.841 120.597 -1.756 18225 13002 1 37 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.515 0.115 18225 13003 1 37 . 1 1 60 60 HIS C C 60 174.157 174.157 174.386 -0.229 18225 13004 1 37 . 1 1 60 60 HIS CA C 60 55.340 55.340 53.709 1.631 18225 13005 1 37 . 1 1 60 60 HIS CB C 60 29.104 29.104 27.404 1.700 18225 13006 1 37 . 1 1 60 60 HIS H H 60 8.507 8.507 8.411 0.096 18225 13007 1 37 . 1 1 61 61 HIS N N 61 119.636 119.636 119.124 0.512 18225 13008 1 37 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.250 0.404 18225 13009 1 37 . 1 1 61 61 HIS C C 61 174.095 174.095 175.519 -1.424 18225 13010 1 37 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.831 -1.502 18225 13011 1 37 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.397 -1.163 18225 13012 1 37 . 1 1 61 61 HIS H H 61 8.613 8.613 7.626 0.987 18225 13013 1 37 . 1 1 62 62 HIS N N 62 120.286 120.286 120.844 -0.558 18225 13014 1 37 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.647 0.013 18225 13015 1 37 . 1 1 62 62 HIS C C 62 173.928 173.928 175.256 -1.328 18225 13016 1 37 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.267 -0.910 18225 13017 1 37 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.692 -0.363 18225 13018 1 37 . 1 1 62 62 HIS H H 62 8.680 8.680 8.817 -0.137 18225 13019 1 37 . 1 1 63 63 HIS N N 63 120.408 120.408 123.837 -3.429 18225 13020 1 37 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.332 0.317 18225 13021 1 37 . 1 1 63 63 HIS C C 63 173.437 173.437 174.255 -0.818 18225 13022 1 37 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.897 -0.333 18225 13023 1 37 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.441 0.042 18225 13024 1 37 . 1 1 63 63 HIS H H 63 8.541 8.541 8.721 -0.180 18225 13025 1 38 . 1 1 2 2 GLU N N 2 123.432 123.432 121.806 1.626 18225 13026 1 38 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.523 -0.114 18225 13027 1 38 . 1 1 2 2 GLU C C 2 175.510 175.510 175.401 0.109 18225 13028 1 38 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.319 -0.103 18225 13029 1 38 . 1 1 2 2 GLU CB C 2 29.538 29.538 30.486 -0.948 18225 13030 1 38 . 1 1 2 2 GLU H H 2 8.824 8.824 8.518 0.306 18225 13031 1 38 . 1 1 3 3 GLU N N 3 121.813 121.813 119.814 1.999 18225 13032 1 38 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.224 0.154 18225 13033 1 38 . 1 1 3 3 GLU C C 3 176.299 176.299 176.757 -0.458 18225 13034 1 38 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.935 -0.643 18225 13035 1 38 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.026 -0.574 18225 13036 1 38 . 1 1 3 3 GLU H H 3 8.546 8.546 8.144 0.402 18225 13037 1 38 . 1 1 4 4 GLY N N 4 109.619 109.619 112.668 -3.049 18225 13038 1 38 . 1 1 4 4 GLY C C 4 174.449 174.449 174.339 0.110 18225 13039 1 38 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.674 0.856 18225 13040 1 38 . 1 1 4 4 GLY H H 4 8.463 8.463 8.430 0.033 18225 13041 1 38 . 1 1 5 5 GLY N N 5 108.241 108.241 107.944 0.297 18225 13042 1 38 . 1 1 5 5 GLY C C 5 173.965 173.965 175.206 -1.241 18225 13043 1 38 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.191 1.261 18225 13044 1 38 . 1 1 5 5 GLY H H 5 8.220 8.220 7.794 0.426 18225 13045 1 38 . 1 1 6 6 ASP N N 6 119.184 119.184 121.135 -1.951 18225 13046 1 38 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.450 0.148 18225 13047 1 38 . 1 1 6 6 ASP C C 6 175.801 175.801 176.665 -0.864 18225 13048 1 38 . 1 1 6 6 ASP CA C 6 53.912 53.912 56.252 -2.340 18225 13049 1 38 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.287 -1.952 18225 13050 1 38 . 1 1 6 6 ASP H H 6 8.329 8.329 8.566 -0.237 18225 13051 1 38 . 1 1 7 7 PHE N N 7 119.589 119.589 113.370 6.219 18225 13052 1 38 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.523 -0.043 18225 13053 1 38 . 1 1 7 7 PHE C C 7 175.881 175.881 174.081 1.800 18225 13054 1 38 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.948 0.873 18225 13055 1 38 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.640 -0.558 18225 13056 1 38 . 1 1 7 7 PHE H H 7 8.342 8.342 7.256 1.086 18225 13057 1 38 . 1 1 8 8 ASP N N 8 118.430 118.430 123.057 -4.627 18225 13058 1 38 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.841 0.615 18225 13059 1 38 . 1 1 8 8 ASP C C 8 175.642 175.642 174.802 0.840 18225 13060 1 38 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.143 0.460 18225 13061 1 38 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.425 -1.841 18225 13062 1 38 . 1 1 8 8 ASP H H 8 8.223 8.223 6.077 2.146 18225 13063 1 38 . 1 1 9 9 ASN N N 9 117.097 117.097 120.473 -3.376 18225 13064 1 38 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.679 -0.120 18225 13065 1 38 . 1 1 9 9 ASN C C 9 175.264 175.264 174.720 0.544 18225 13066 1 38 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.418 0.426 18225 13067 1 38 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.072 -0.357 18225 13068 1 38 . 1 1 9 9 ASN H H 9 8.069 8.069 8.305 -0.236 18225 13069 1 38 . 1 1 10 10 TYR N N 10 119.007 119.007 119.634 -0.627 18225 13070 1 38 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.562 -0.213 18225 13071 1 38 . 1 1 10 10 TYR C C 10 175.387 175.387 175.455 -0.068 18225 13072 1 38 . 1 1 10 10 TYR CA C 10 59.194 59.194 58.912 0.282 18225 13073 1 38 . 1 1 10 10 TYR CB C 10 38.828 38.828 39.001 -0.173 18225 13074 1 38 . 1 1 10 10 TYR H H 10 7.901 7.901 8.023 -0.122 18225 13075 1 38 . 1 1 11 11 TYR N N 11 117.992 117.992 117.638 0.354 18225 13076 1 38 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.337 0.106 18225 13077 1 38 . 1 1 11 11 TYR C C 11 175.765 175.765 175.774 -0.009 18225 13078 1 38 . 1 1 11 11 TYR CA C 11 58.372 58.372 58.148 0.224 18225 13079 1 38 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.885 -0.091 18225 13080 1 38 . 1 1 11 11 TYR H H 11 7.885 7.885 8.124 -0.239 18225 13081 1 38 . 1 1 12 12 GLY N N 12 108.601 108.601 107.049 1.552 18225 13082 1 38 . 1 1 12 12 GLY C C 12 173.934 173.934 173.409 0.525 18225 13083 1 38 . 1 1 12 12 GLY CA C 12 45.489 45.489 44.696 0.793 18225 13084 1 38 . 1 1 12 12 GLY H H 12 7.861 7.861 7.561 0.300 18225 13085 1 38 . 1 1 13 13 ALA N N 13 122.926 122.926 122.002 0.924 18225 13086 1 38 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.255 0.024 18225 13087 1 38 . 1 1 13 13 ALA C C 13 177.457 177.457 177.890 -0.433 18225 13088 1 38 . 1 1 13 13 ALA CA C 13 52.782 52.782 51.454 1.328 18225 13089 1 38 . 1 1 13 13 ALA CB C 13 19.447 19.447 20.000 -0.553 18225 13090 1 38 . 1 1 13 13 ALA H H 13 7.985 7.985 7.434 0.551 18225 13091 1 38 . 1 1 14 14 ASP N N 14 117.380 117.380 118.481 -1.101 18225 13092 1 38 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.350 0.290 18225 13093 1 38 . 1 1 14 14 ASP C C 14 175.428 175.428 177.827 -2.399 18225 13094 1 38 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.660 -2.988 18225 13095 1 38 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.362 -0.997 18225 13096 1 38 . 1 1 14 14 ASP H H 14 8.330 8.330 8.615 -0.285 18225 13097 1 38 . 1 1 15 15 ASN N N 15 118.465 118.465 115.773 2.692 18225 13098 1 38 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.444 0.195 18225 13099 1 38 . 1 1 15 15 ASN C C 15 175.467 175.467 175.819 -0.352 18225 13100 1 38 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.289 -1.632 18225 13101 1 38 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.478 0.490 18225 13102 1 38 . 1 1 15 15 ASN H H 15 8.207 8.207 8.054 0.153 18225 13103 1 38 . 1 1 16 16 GLN N N 16 119.741 119.741 116.972 2.769 18225 13104 1 38 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.462 -0.147 18225 13105 1 38 . 1 1 16 16 GLN C C 16 176.350 176.350 175.106 1.244 18225 13106 1 38 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.516 1.124 18225 13107 1 38 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.690 0.406 18225 13108 1 38 . 1 1 16 16 GLN H H 16 8.292 8.292 7.609 0.683 18225 13109 1 38 . 1 1 17 17 SER N N 17 115.772 115.772 114.784 0.988 18225 13110 1 38 . 1 1 17 17 SER HA H 17 4.390 4.390 4.599 -0.209 18225 13111 1 38 . 1 1 17 17 SER C C 17 174.799 174.799 172.801 1.998 18225 13112 1 38 . 1 1 17 17 SER CA C 17 59.165 59.165 56.451 2.714 18225 13113 1 38 . 1 1 17 17 SER CB C 17 63.651 63.651 64.715 -1.064 18225 13114 1 38 . 1 1 17 17 SER H H 17 8.224 8.224 7.975 0.249 18225 13115 1 38 . 1 1 18 18 GLU N N 18 121.211 121.211 122.890 -1.679 18225 13116 1 38 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.292 0.026 18225 13117 1 38 . 1 1 18 18 GLU C C 18 176.201 176.201 175.932 0.269 18225 13118 1 38 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.338 -0.613 18225 13119 1 38 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.836 0.129 18225 13120 1 38 . 1 1 18 18 GLU H H 18 8.285 8.285 8.673 -0.388 18225 13121 1 38 . 1 1 19 19 CYS N N 19 118.653 118.653 125.804 -7.151 18225 13122 1 38 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.500 -0.077 18225 13123 1 38 . 1 1 19 19 CYS C C 19 174.698 174.698 173.977 0.721 18225 13124 1 38 . 1 1 19 19 CYS CA C 19 59.075 59.075 57.633 1.442 18225 13125 1 38 . 1 1 19 19 CYS CB C 19 27.850 27.850 27.956 -0.106 18225 13126 1 38 . 1 1 19 19 CYS H H 19 8.202 8.202 8.507 -0.305 18225 13127 1 38 . 1 1 20 20 GLU N N 20 121.851 121.851 122.175 -0.324 18225 13128 1 38 . 1 1 20 20 GLU HA H 20 4.265 4.265 3.628 0.637 18225 13129 1 38 . 1 1 20 20 GLU C C 20 176.100 176.100 174.587 1.513 18225 13130 1 38 . 1 1 20 20 GLU CA C 20 56.822 56.822 57.371 -0.549 18225 13131 1 38 . 1 1 20 20 GLU CB C 20 28.976 28.976 27.315 1.661 18225 13132 1 38 . 1 1 20 20 GLU H H 20 8.349 8.349 8.504 -0.155 18225 13133 1 38 . 1 1 21 21 TYR N N 21 118.491 118.491 115.949 2.542 18225 13134 1 38 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.646 -0.228 18225 13135 1 38 . 1 1 21 21 TYR C C 21 175.881 175.881 175.834 0.047 18225 13136 1 38 . 1 1 21 21 TYR CA C 21 58.731 58.731 59.331 -0.600 18225 13137 1 38 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.963 -0.337 18225 13138 1 38 . 1 1 21 21 TYR H H 21 7.974 7.974 8.095 -0.121 18225 13139 1 38 . 1 1 22 22 THR N N 22 112.161 112.161 111.233 0.928 18225 13140 1 38 . 1 1 22 22 THR HA H 22 4.105 4.105 4.479 -0.374 18225 13141 1 38 . 1 1 22 22 THR C C 22 174.666 174.666 175.011 -0.345 18225 13142 1 38 . 1 1 22 22 THR CA C 22 63.190 63.190 62.608 0.582 18225 13143 1 38 . 1 1 22 22 THR CB C 22 69.306 69.306 69.609 -0.302 18225 13144 1 38 . 1 1 22 22 THR H H 22 7.747 7.747 7.931 -0.184 18225 13145 1 38 . 1 1 23 23 ASP N N 23 120.529 120.529 124.661 -4.132 18225 13146 1 38 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.701 -0.047 18225 13147 1 38 . 1 1 23 23 ASP C C 23 176.119 176.119 176.210 -0.091 18225 13148 1 38 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.080 -1.177 18225 13149 1 38 . 1 1 23 23 ASP CB C 23 39.138 39.138 39.835 -0.697 18225 13150 1 38 . 1 1 23 23 ASP H H 23 8.114 8.114 9.005 -0.891 18225 13151 1 38 . 1 1 24 24 TRP N N 24 121.466 121.466 118.957 2.509 18225 13152 1 38 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.820 -0.344 18225 13153 1 38 . 1 1 24 24 TRP C C 24 176.578 176.578 175.339 1.239 18225 13154 1 38 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.423 0.888 18225 13155 1 38 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.102 0.084 18225 13156 1 38 . 1 1 24 24 TRP H H 24 8.034 8.034 7.844 0.190 18225 13157 1 38 . 1 1 25 25 LYS N N 25 119.430 119.430 119.412 0.018 18225 13158 1 38 . 1 1 25 25 LYS HA H 25 4.045 4.045 2.882 1.163 18225 13159 1 38 . 1 1 25 25 LYS C C 25 176.798 176.798 176.386 0.412 18225 13160 1 38 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.772 -0.011 18225 13161 1 38 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.581 1.828 18225 13162 1 38 . 1 1 25 25 LYS H H 25 7.880 7.880 6.510 1.370 18225 13163 1 38 . 1 1 26 26 SER N N 26 113.780 113.780 113.695 0.085 18225 13164 1 38 . 1 1 26 26 SER HA H 26 4.461 4.461 4.394 0.067 18225 13165 1 38 . 1 1 26 26 SER C C 26 174.957 174.957 173.447 1.510 18225 13166 1 38 . 1 1 26 26 SER CA C 26 58.760 58.760 58.527 0.233 18225 13167 1 38 . 1 1 26 26 SER CB C 26 63.889 63.889 63.986 -0.097 18225 13168 1 38 . 1 1 26 26 SER H H 26 7.893 7.893 7.870 0.023 18225 13169 1 38 . 1 1 27 27 SER N N 27 116.730 116.730 117.725 -0.995 18225 13170 1 38 . 1 1 27 27 SER HA H 27 4.328 4.328 4.296 0.032 18225 13171 1 38 . 1 1 27 27 SER C C 27 175.563 175.563 174.370 1.193 18225 13172 1 38 . 1 1 27 27 SER CA C 27 59.856 59.856 58.797 1.059 18225 13173 1 38 . 1 1 27 27 SER CB C 27 63.819 63.819 61.979 1.840 18225 13174 1 38 . 1 1 27 27 SER H H 27 8.137 8.137 8.485 -0.348 18225 13175 1 38 . 1 1 28 28 GLY N N 28 110.734 110.734 106.096 4.638 18225 13176 1 38 . 1 1 28 28 GLY C C 28 174.314 174.314 174.134 0.180 18225 13177 1 38 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.530 0.595 18225 13178 1 38 . 1 1 28 28 GLY H H 28 8.477 8.477 7.637 0.840 18225 13179 1 38 . 1 1 29 29 ALA N N 29 121.690 121.690 122.612 -0.922 18225 13180 1 38 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.210 0.079 18225 13181 1 38 . 1 1 29 29 ALA C C 29 177.330 177.330 178.249 -0.919 18225 13182 1 38 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.511 -0.337 18225 13183 1 38 . 1 1 29 29 ALA CB C 29 19.884 19.884 18.842 1.042 18225 13184 1 38 . 1 1 29 29 ALA H H 29 8.189 8.189 8.167 0.022 18225 13185 1 38 . 1 1 30 30 LEU N N 30 117.292 117.292 112.698 4.594 18225 13186 1 38 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.714 -0.635 18225 13187 1 38 . 1 1 30 30 LEU C C 30 177.377 177.377 177.265 0.112 18225 13188 1 38 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.190 3.045 18225 13189 1 38 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.397 0.017 18225 13190 1 38 . 1 1 30 30 LEU H H 30 7.873 7.873 7.826 0.047 18225 13191 1 38 . 1 1 31 31 ILE N N 31 116.517 116.517 120.797 -4.280 18225 13192 1 38 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.116 -0.233 18225 13193 1 38 . 1 1 31 31 ILE CA C 31 66.266 66.266 65.497 0.769 18225 13194 1 38 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.316 -0.560 18225 13195 1 38 . 1 1 31 31 ILE H H 31 8.262 8.262 8.207 0.055 18225 13196 1 38 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.363 -0.151 18225 13197 1 38 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.936 1.057 18225 13198 1 38 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.932 0.060 18225 13199 1 38 . 1 1 33 33 ALA N N 33 118.208 118.208 120.752 -2.544 18225 13200 1 38 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.266 -0.200 18225 13201 1 38 . 1 1 33 33 ALA C C 33 178.814 178.814 179.364 -0.550 18225 13202 1 38 . 1 1 33 33 ALA CA C 33 55.689 55.689 54.423 1.266 18225 13203 1 38 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.374 -0.995 18225 13204 1 38 . 1 1 33 33 ALA H H 33 7.613 7.613 7.442 0.171 18225 13205 1 38 . 1 1 34 34 ILE N N 34 117.730 117.730 119.823 -2.093 18225 13206 1 38 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.692 -0.027 18225 13207 1 38 . 1 1 34 34 ILE C C 34 177.826 177.826 177.808 0.018 18225 13208 1 38 . 1 1 34 34 ILE CA C 34 65.154 65.154 63.317 1.837 18225 13209 1 38 . 1 1 34 34 ILE CB C 34 37.283 37.283 36.361 0.922 18225 13210 1 38 . 1 1 34 34 ILE H H 34 8.259 8.259 7.443 0.816 18225 13211 1 38 . 1 1 35 35 TYR N N 35 118.693 118.693 119.394 -0.701 18225 13212 1 38 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.078 0.015 18225 13213 1 38 . 1 1 35 35 TYR C C 35 177.885 177.885 177.012 0.873 18225 13214 1 38 . 1 1 35 35 TYR CA C 35 61.638 61.638 60.971 0.667 18225 13215 1 38 . 1 1 35 35 TYR CB C 35 37.924 37.924 37.851 0.073 18225 13216 1 38 . 1 1 35 35 TYR H H 35 8.347 8.347 7.803 0.544 18225 13217 1 38 . 1 1 36 36 MET N N 36 117.356 117.356 118.625 -1.269 18225 13218 1 38 . 1 1 36 36 MET HA H 36 4.220 4.220 3.768 0.452 18225 13219 1 38 . 1 1 36 36 MET C C 36 177.903 177.903 177.664 0.239 18225 13220 1 38 . 1 1 36 36 MET CA C 36 58.653 58.653 57.995 0.658 18225 13221 1 38 . 1 1 36 36 MET CB C 36 32.172 32.172 33.170 -0.999 18225 13222 1 38 . 1 1 36 36 MET H H 36 8.252 8.252 7.751 0.501 18225 13223 1 38 . 1 1 37 37 LEU N N 37 119.978 119.978 120.710 -0.732 18225 13224 1 38 . 1 1 37 37 LEU HA H 37 4.028 4.028 3.967 0.061 18225 13225 1 38 . 1 1 37 37 LEU C C 37 178.393 178.393 177.965 0.428 18225 13226 1 38 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.382 1.260 18225 13227 1 38 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.688 0.300 18225 13228 1 38 . 1 1 37 37 LEU H H 37 8.301 8.301 8.390 -0.089 18225 13229 1 38 . 1 1 38 38 VAL N N 38 117.991 117.991 117.309 0.682 18225 13230 1 38 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.976 -0.474 18225 13231 1 38 . 1 1 38 38 VAL C C 38 177.962 177.962 175.992 1.970 18225 13232 1 38 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.606 3.549 18225 13233 1 38 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.618 -0.203 18225 13234 1 38 . 1 1 38 38 VAL H H 38 8.414 8.414 7.469 0.945 18225 13235 1 38 . 1 1 39 39 PHE N N 39 119.830 119.830 123.056 -3.226 18225 13236 1 38 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.519 -0.341 18225 13237 1 38 . 1 1 39 39 PHE C C 39 178.233 178.233 175.786 2.447 18225 13238 1 38 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.578 0.925 18225 13239 1 38 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.949 -0.891 18225 13240 1 38 . 1 1 39 39 PHE H H 39 8.337 8.337 8.206 0.131 18225 13241 1 38 . 1 1 40 40 LEU N N 40 119.985 119.985 117.895 2.090 18225 13242 1 38 . 1 1 40 40 LEU HA H 40 3.966 3.966 3.173 0.793 18225 13243 1 38 . 1 1 40 40 LEU C C 40 179.279 179.279 177.585 1.694 18225 13244 1 38 . 1 1 40 40 LEU CA C 40 57.872 57.872 57.589 0.283 18225 13245 1 38 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.065 1.322 18225 13246 1 38 . 1 1 40 40 LEU H H 40 8.603 8.603 7.255 1.348 18225 13247 1 38 . 1 1 41 41 LEU N N 41 118.649 118.649 117.512 1.137 18225 13248 1 38 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.175 -0.131 18225 13249 1 38 . 1 1 41 41 LEU C C 41 178.670 178.670 179.073 -0.403 18225 13250 1 38 . 1 1 41 41 LEU CA C 41 57.683 57.683 55.240 2.443 18225 13251 1 38 . 1 1 41 41 LEU CB C 41 41.931 41.931 41.611 0.320 18225 13252 1 38 . 1 1 41 41 LEU H H 41 8.486 8.486 7.607 0.879 18225 13253 1 38 . 1 1 42 42 GLY N N 42 105.262 105.262 107.289 -2.027 18225 13254 1 38 . 1 1 42 42 GLY C C 42 174.814 174.814 175.129 -0.315 18225 13255 1 38 . 1 1 42 42 GLY CA C 42 46.405 46.405 47.142 -0.737 18225 13256 1 38 . 1 1 42 42 GLY H H 42 8.289 8.289 8.151 0.138 18225 13257 1 38 . 1 1 43 43 THR N N 43 111.955 111.955 110.940 1.015 18225 13258 1 38 . 1 1 43 43 THR HA H 43 4.243 4.243 4.403 -0.160 18225 13259 1 38 . 1 1 43 43 THR C C 43 175.888 175.888 175.446 0.442 18225 13260 1 38 . 1 1 43 43 THR CA C 43 63.505 63.505 62.279 1.226 18225 13261 1 38 . 1 1 43 43 THR CB C 43 69.598 69.598 69.158 0.440 18225 13262 1 38 . 1 1 43 43 THR H H 43 7.891 7.891 7.567 0.324 18225 13263 1 38 . 1 1 44 44 THR N N 44 111.997 111.997 118.800 -6.803 18225 13264 1 38 . 1 1 44 44 THR HA H 44 4.320 4.320 4.234 0.086 18225 13265 1 38 . 1 1 44 44 THR C C 44 175.543 175.543 175.876 -0.333 18225 13266 1 38 . 1 1 44 44 THR CA C 44 63.009 63.009 65.110 -2.101 18225 13267 1 38 . 1 1 44 44 THR CB C 44 69.881 69.881 68.802 1.079 18225 13268 1 38 . 1 1 44 44 THR H H 44 7.740 7.740 7.599 0.141 18225 13269 1 38 . 1 1 45 45 GLY N N 45 109.564 109.564 109.667 -0.103 18225 13270 1 38 . 1 1 45 45 GLY C C 45 174.928 174.928 174.345 0.583 18225 13271 1 38 . 1 1 45 45 GLY CA C 45 46.420 46.420 44.988 1.432 18225 13272 1 38 . 1 1 45 45 GLY H H 45 8.243 8.243 8.336 -0.093 18225 13273 1 38 . 1 1 46 46 ASN N N 46 117.851 117.851 117.214 0.637 18225 13274 1 38 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.303 0.414 18225 13275 1 38 . 1 1 46 46 ASN C C 46 176.127 176.127 174.678 1.449 18225 13276 1 38 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.131 1.483 18225 13277 1 38 . 1 1 46 46 ASN CB C 46 39.311 39.311 37.891 1.420 18225 13278 1 38 . 1 1 46 46 ASN H H 46 8.170 8.170 7.452 0.718 18225 13279 1 38 . 1 1 47 47 GLY N N 47 108.287 108.287 104.176 4.111 18225 13280 1 38 . 1 1 47 47 GLY C C 47 174.612 174.612 175.523 -0.911 18225 13281 1 38 . 1 1 47 47 GLY CA C 47 47.241 47.241 44.837 2.404 18225 13282 1 38 . 1 1 47 47 GLY H H 47 8.663 8.663 8.141 0.522 18225 13283 1 38 . 1 1 48 48 LEU N N 48 120.479 120.479 124.668 -4.189 18225 13284 1 38 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.099 0.169 18225 13285 1 38 . 1 1 48 48 LEU C C 48 179.407 179.407 178.122 1.285 18225 13286 1 38 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.775 0.817 18225 13287 1 38 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.773 -0.035 18225 13288 1 38 . 1 1 48 48 LEU H H 48 8.149 8.149 8.613 -0.464 18225 13289 1 38 . 1 1 49 49 VAL N N 49 119.968 119.968 115.550 4.418 18225 13290 1 38 . 1 1 49 49 VAL HA H 49 3.816 3.816 3.882 -0.066 18225 13291 1 38 . 1 1 49 49 VAL C C 49 177.444 177.444 176.076 1.368 18225 13292 1 38 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.814 1.129 18225 13293 1 38 . 1 1 49 49 VAL CB C 49 31.678 31.678 30.566 1.112 18225 13294 1 38 . 1 1 49 49 VAL H H 49 7.969 7.969 7.993 -0.024 18225 13295 1 38 . 1 1 50 50 LEU N N 50 119.329 119.329 118.357 0.972 18225 13296 1 38 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.530 -0.518 18225 13297 1 38 . 1 1 50 50 LEU C C 50 178.085 178.085 176.745 1.340 18225 13298 1 38 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.098 2.819 18225 13299 1 38 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.429 0.277 18225 13300 1 38 . 1 1 50 50 LEU H H 50 7.814 7.814 7.716 0.098 18225 13301 1 38 . 1 1 51 51 TRP N N 51 118.186 118.186 121.572 -3.386 18225 13302 1 38 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.825 -0.336 18225 13303 1 38 . 1 1 51 51 TRP C C 51 177.377 177.377 177.119 0.258 18225 13304 1 38 . 1 1 51 51 TRP CA C 51 60.058 60.058 58.606 1.452 18225 13305 1 38 . 1 1 51 51 TRP CB C 51 29.781 29.781 31.024 -1.243 18225 13306 1 38 . 1 1 51 51 TRP H H 51 8.125 8.125 8.537 -0.412 18225 13307 1 38 . 1 1 52 52 THR N N 52 113.180 113.180 116.309 -3.129 18225 13308 1 38 . 1 1 52 52 THR HA H 52 3.787 3.787 3.272 0.515 18225 13309 1 38 . 1 1 52 52 THR C C 52 176.309 176.309 176.281 0.028 18225 13310 1 38 . 1 1 52 52 THR CA C 52 66.473 66.473 64.164 2.309 18225 13311 1 38 . 1 1 52 52 THR CB C 52 68.865 68.865 68.113 0.752 18225 13312 1 38 . 1 1 52 52 THR H H 52 8.079 8.079 7.751 0.328 18225 13313 1 38 . 1 1 53 53 VAL N N 53 119.953 119.953 120.859 -0.906 18225 13314 1 38 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.750 -0.102 18225 13315 1 38 . 1 1 53 53 VAL C C 53 177.252 177.252 177.684 -0.432 18225 13316 1 38 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.082 1.004 18225 13317 1 38 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.316 0.388 18225 13318 1 38 . 1 1 53 53 VAL H H 53 7.913 7.913 7.632 0.281 18225 13319 1 38 . 1 1 54 54 PHE N N 54 118.204 118.204 117.575 0.629 18225 13320 1 38 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.257 -0.010 18225 13321 1 38 . 1 1 54 54 PHE C C 54 177.144 177.144 174.574 2.570 18225 13322 1 38 . 1 1 54 54 PHE CA C 54 60.454 60.454 59.190 1.264 18225 13323 1 38 . 1 1 54 54 PHE CB C 54 39.116 39.116 37.749 1.367 18225 13324 1 38 . 1 1 54 54 PHE H H 54 8.030 8.030 8.495 -0.465 18225 13325 1 38 . 1 1 55 55 ARG N N 55 117.725 117.725 115.838 1.887 18225 13326 1 38 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.603 -0.719 18225 13327 1 38 . 1 1 55 55 ARG C C 55 177.443 177.443 176.357 1.086 18225 13328 1 38 . 1 1 55 55 ARG CA C 55 57.554 57.554 55.698 1.856 18225 13329 1 38 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.906 -1.099 18225 13330 1 38 . 1 1 55 55 ARG H H 55 8.034 8.034 7.758 0.276 18225 13331 1 38 . 1 1 56 56 LYS N N 56 118.622 118.622 121.415 -2.793 18225 13332 1 38 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.011 0.153 18225 13333 1 38 . 1 1 56 56 LYS C C 56 177.418 177.418 177.786 -0.368 18225 13334 1 38 . 1 1 56 56 LYS CA C 56 57.517 57.517 58.484 -0.967 18225 13335 1 38 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.554 0.254 18225 13336 1 38 . 1 1 56 56 LYS H H 56 7.804 7.804 7.674 0.130 18225 13337 1 38 . 1 1 57 57 LYS N N 57 118.937 118.937 117.354 1.583 18225 13338 1 38 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.000 0.258 18225 13339 1 38 . 1 1 57 57 LYS C C 57 177.029 177.029 176.826 0.203 18225 13340 1 38 . 1 1 57 57 LYS CA C 57 56.610 56.610 56.975 -0.365 18225 13341 1 38 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.193 0.685 18225 13342 1 38 . 1 1 57 57 LYS H H 57 7.974 7.974 7.882 0.092 18225 13343 1 38 . 1 1 58 58 GLY N N 58 107.785 107.785 107.266 0.519 18225 13344 1 38 . 1 1 58 58 GLY C C 58 173.543 173.543 174.592 -1.049 18225 13345 1 38 . 1 1 58 58 GLY CA C 58 45.473 45.473 44.288 1.185 18225 13346 1 38 . 1 1 58 58 GLY H H 58 8.136 8.136 7.652 0.484 18225 13347 1 38 . 1 1 59 59 HIS N N 59 117.024 117.024 115.745 1.279 18225 13348 1 38 . 1 1 59 59 HIS HA H 59 4.622 4.622 3.832 0.790 18225 13349 1 38 . 1 1 59 59 HIS C C 59 174.183 174.183 174.238 -0.055 18225 13350 1 38 . 1 1 59 59 HIS CA C 59 55.281 55.281 57.955 -2.674 18225 13351 1 38 . 1 1 59 59 HIS CB C 59 29.081 29.081 28.532 0.549 18225 13352 1 38 . 1 1 59 59 HIS H H 59 8.163 8.163 8.462 -0.299 18225 13353 1 38 . 1 1 60 60 HIS N N 60 118.841 118.841 117.855 0.986 18225 13354 1 38 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.718 -0.088 18225 13355 1 38 . 1 1 60 60 HIS C C 60 174.157 174.157 173.256 0.901 18225 13356 1 38 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.071 0.269 18225 13357 1 38 . 1 1 60 60 HIS CB C 60 29.104 29.104 31.819 -2.715 18225 13358 1 38 . 1 1 60 60 HIS H H 60 8.507 8.507 8.272 0.235 18225 13359 1 38 . 1 1 61 61 HIS N N 61 119.636 119.636 124.204 -4.568 18225 13360 1 38 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.752 -0.098 18225 13361 1 38 . 1 1 61 61 HIS C C 61 174.095 174.095 174.635 -0.540 18225 13362 1 38 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.192 0.137 18225 13363 1 38 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.499 -2.265 18225 13364 1 38 . 1 1 61 61 HIS H H 61 8.613 8.613 8.512 0.101 18225 13365 1 38 . 1 1 62 62 HIS N N 62 120.286 120.286 119.054 1.232 18225 13366 1 38 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.364 0.296 18225 13367 1 38 . 1 1 62 62 HIS C C 62 173.928 173.928 174.356 -0.428 18225 13368 1 38 . 1 1 62 62 HIS CA C 62 55.356 55.356 57.564 -2.208 18225 13369 1 38 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.426 -1.097 18225 13370 1 38 . 1 1 62 62 HIS H H 62 8.680 8.680 7.922 0.758 18225 13371 1 38 . 1 1 63 63 HIS N N 63 120.408 120.408 120.457 -0.049 18225 13372 1 38 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.804 -0.155 18225 13373 1 38 . 1 1 63 63 HIS C C 63 173.437 173.437 174.727 -1.290 18225 13374 1 38 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.677 -0.113 18225 13375 1 38 . 1 1 63 63 HIS CB C 63 29.483 29.483 30.160 -0.676 18225 13376 1 38 . 1 1 63 63 HIS H H 63 8.541 8.541 8.480 0.061 18225 13377 1 39 . 1 1 2 2 GLU N N 2 123.432 123.432 124.443 -1.011 18225 13378 1 39 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.409 -0.000 18225 13379 1 39 . 1 1 2 2 GLU C C 2 175.510 175.510 175.585 -0.075 18225 13380 1 39 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.297 -0.081 18225 13381 1 39 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.240 0.298 18225 13382 1 39 . 1 1 2 2 GLU H H 2 8.824 8.824 8.703 0.121 18225 13383 1 39 . 1 1 3 3 GLU N N 3 121.813 121.813 120.710 1.103 18225 13384 1 39 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.185 0.193 18225 13385 1 39 . 1 1 3 3 GLU C C 3 176.299 176.299 177.580 -1.281 18225 13386 1 39 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.660 -0.367 18225 13387 1 39 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.045 -0.593 18225 13388 1 39 . 1 1 3 3 GLU H H 3 8.546 8.546 8.034 0.512 18225 13389 1 39 . 1 1 4 4 GLY N N 4 109.619 109.619 111.764 -2.145 18225 13390 1 39 . 1 1 4 4 GLY C C 4 174.449 174.449 173.860 0.589 18225 13391 1 39 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.931 0.599 18225 13392 1 39 . 1 1 4 4 GLY H H 4 8.463 8.463 8.618 -0.155 18225 13393 1 39 . 1 1 5 5 GLY N N 5 108.241 108.241 109.118 -0.877 18225 13394 1 39 . 1 1 5 5 GLY C C 5 173.965 173.965 174.255 -0.290 18225 13395 1 39 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.721 0.731 18225 13396 1 39 . 1 1 5 5 GLY H H 5 8.220 8.220 7.783 0.437 18225 13397 1 39 . 1 1 6 6 ASP N N 6 119.184 119.184 125.644 -6.460 18225 13398 1 39 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.298 0.300 18225 13399 1 39 . 1 1 6 6 ASP C C 6 175.801 175.801 177.421 -1.620 18225 13400 1 39 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.133 -1.221 18225 13401 1 39 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.765 -1.430 18225 13402 1 39 . 1 1 6 6 ASP H H 6 8.329 8.329 8.902 -0.573 18225 13403 1 39 . 1 1 7 7 PHE N N 7 119.589 119.589 120.015 -0.426 18225 13404 1 39 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.288 0.192 18225 13405 1 39 . 1 1 7 7 PHE C C 7 175.881 175.881 176.357 -0.476 18225 13406 1 39 . 1 1 7 7 PHE CA C 7 58.821 58.821 59.546 -0.725 18225 13407 1 39 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.006 0.076 18225 13408 1 39 . 1 1 7 7 PHE H H 7 8.342 8.342 7.963 0.379 18225 13409 1 39 . 1 1 8 8 ASP N N 8 118.430 118.430 119.928 -1.498 18225 13410 1 39 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.038 0.418 18225 13411 1 39 . 1 1 8 8 ASP C C 8 175.642 175.642 175.846 -0.204 18225 13412 1 39 . 1 1 8 8 ASP CA C 8 54.603 54.603 56.197 -1.594 18225 13413 1 39 . 1 1 8 8 ASP CB C 8 38.584 38.584 40.296 -1.712 18225 13414 1 39 . 1 1 8 8 ASP H H 8 8.223 8.223 7.883 0.340 18225 13415 1 39 . 1 1 9 9 ASN N N 9 117.097 117.097 113.783 3.314 18225 13416 1 39 . 1 1 9 9 ASN HA H 9 4.559 4.559 3.860 0.699 18225 13417 1 39 . 1 1 9 9 ASN C C 9 175.264 175.264 175.887 -0.623 18225 13418 1 39 . 1 1 9 9 ASN CA C 9 53.844 53.844 51.743 2.101 18225 13419 1 39 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.380 -0.665 18225 13420 1 39 . 1 1 9 9 ASN H H 9 8.069 8.069 7.243 0.826 18225 13421 1 39 . 1 1 10 10 TYR N N 10 119.007 119.007 114.783 4.224 18225 13422 1 39 . 1 1 10 10 TYR HA H 10 4.349 4.349 3.689 0.660 18225 13423 1 39 . 1 1 10 10 TYR C C 10 175.387 175.387 175.563 -0.176 18225 13424 1 39 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.486 -1.292 18225 13425 1 39 . 1 1 10 10 TYR CB C 10 38.828 38.828 35.765 3.063 18225 13426 1 39 . 1 1 10 10 TYR H H 10 7.901 7.901 7.872 0.029 18225 13427 1 39 . 1 1 11 11 TYR N N 11 117.992 117.992 117.304 0.688 18225 13428 1 39 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.133 0.310 18225 13429 1 39 . 1 1 11 11 TYR C C 11 175.765 175.765 175.952 -0.187 18225 13430 1 39 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.284 -0.912 18225 13431 1 39 . 1 1 11 11 TYR CB C 11 38.794 38.794 38.044 0.750 18225 13432 1 39 . 1 1 11 11 TYR H H 11 7.885 7.885 7.611 0.274 18225 13433 1 39 . 1 1 12 12 GLY N N 12 108.601 108.601 108.424 0.177 18225 13434 1 39 . 1 1 12 12 GLY C C 12 173.934 173.934 173.547 0.387 18225 13435 1 39 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.766 -0.277 18225 13436 1 39 . 1 1 12 12 GLY H H 12 7.861 7.861 8.703 -0.842 18225 13437 1 39 . 1 1 13 13 ALA N N 13 122.926 122.926 127.793 -4.867 18225 13438 1 39 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.218 0.061 18225 13439 1 39 . 1 1 13 13 ALA C C 13 177.457 177.457 178.999 -1.542 18225 13440 1 39 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.936 -1.154 18225 13441 1 39 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.604 -0.157 18225 13442 1 39 . 1 1 13 13 ALA H H 13 7.985 7.985 8.228 -0.243 18225 13443 1 39 . 1 1 14 14 ASP N N 14 117.380 117.380 118.683 -1.303 18225 13444 1 39 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.332 0.308 18225 13445 1 39 . 1 1 14 14 ASP C C 14 175.428 175.428 177.836 -2.408 18225 13446 1 39 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.422 -2.750 18225 13447 1 39 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.377 -0.012 18225 13448 1 39 . 1 1 14 14 ASP H H 14 8.330 8.330 8.811 -0.481 18225 13449 1 39 . 1 1 15 15 ASN N N 15 118.465 118.465 116.174 2.291 18225 13450 1 39 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.418 0.221 18225 13451 1 39 . 1 1 15 15 ASN C C 15 175.467 175.467 175.516 -0.049 18225 13452 1 39 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.493 -1.836 18225 13453 1 39 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.545 0.423 18225 13454 1 39 . 1 1 15 15 ASN H H 15 8.207 8.207 8.572 -0.365 18225 13455 1 39 . 1 1 16 16 GLN N N 16 119.741 119.741 115.863 3.878 18225 13456 1 39 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.159 0.156 18225 13457 1 39 . 1 1 16 16 GLN C C 16 176.350 176.350 176.103 0.247 18225 13458 1 39 . 1 1 16 16 GLN CA C 16 56.640 56.640 54.676 1.964 18225 13459 1 39 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.525 0.571 18225 13460 1 39 . 1 1 16 16 GLN H H 16 8.292 8.292 7.502 0.790 18225 13461 1 39 . 1 1 17 17 SER N N 17 115.772 115.772 118.222 -2.450 18225 13462 1 39 . 1 1 17 17 SER HA H 17 4.390 4.390 4.503 -0.113 18225 13463 1 39 . 1 1 17 17 SER C C 17 174.799 174.799 173.309 1.490 18225 13464 1 39 . 1 1 17 17 SER CA C 17 59.165 59.165 57.444 1.721 18225 13465 1 39 . 1 1 17 17 SER CB C 17 63.651 63.651 61.929 1.722 18225 13466 1 39 . 1 1 17 17 SER H H 17 8.224 8.224 8.383 -0.159 18225 13467 1 39 . 1 1 18 18 GLU N N 18 121.211 121.211 119.353 1.858 18225 13468 1 39 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.102 0.216 18225 13469 1 39 . 1 1 18 18 GLU C C 18 176.201 176.201 176.324 -0.123 18225 13470 1 39 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.629 -0.904 18225 13471 1 39 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.384 0.581 18225 13472 1 39 . 1 1 18 18 GLU H H 18 8.285 8.285 7.990 0.295 18225 13473 1 39 . 1 1 19 19 CYS N N 19 118.653 118.653 117.444 1.209 18225 13474 1 39 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.389 0.034 18225 13475 1 39 . 1 1 19 19 CYS C C 19 174.698 174.698 175.632 -0.934 18225 13476 1 39 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.912 -0.837 18225 13477 1 39 . 1 1 19 19 CYS CB C 19 27.850 27.850 29.399 -1.549 18225 13478 1 39 . 1 1 19 19 CYS H H 19 8.202 8.202 8.610 -0.408 18225 13479 1 39 . 1 1 20 20 GLU N N 20 121.851 121.851 117.704 4.147 18225 13480 1 39 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.357 -0.092 18225 13481 1 39 . 1 1 20 20 GLU C C 20 176.100 176.100 174.617 1.483 18225 13482 1 39 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.023 0.798 18225 13483 1 39 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.474 -1.498 18225 13484 1 39 . 1 1 20 20 GLU H H 20 8.349 8.349 8.394 -0.045 18225 13485 1 39 . 1 1 21 21 TYR N N 21 118.491 118.491 118.838 -0.347 18225 13486 1 39 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.106 -0.688 18225 13487 1 39 . 1 1 21 21 TYR C C 21 175.881 175.881 174.947 0.934 18225 13488 1 39 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.788 0.943 18225 13489 1 39 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.370 -0.744 18225 13490 1 39 . 1 1 21 21 TYR H H 21 7.974 7.974 8.317 -0.343 18225 13491 1 39 . 1 1 22 22 THR N N 22 112.161 112.161 113.141 -0.980 18225 13492 1 39 . 1 1 22 22 THR HA H 22 4.105 4.105 4.376 -0.271 18225 13493 1 39 . 1 1 22 22 THR C C 22 174.666 174.666 174.298 0.368 18225 13494 1 39 . 1 1 22 22 THR CA C 22 63.190 63.190 63.231 -0.041 18225 13495 1 39 . 1 1 22 22 THR CB C 22 69.306 69.306 69.626 -0.320 18225 13496 1 39 . 1 1 22 22 THR H H 22 7.747 7.747 7.994 -0.247 18225 13497 1 39 . 1 1 23 23 ASP N N 23 120.529 120.529 124.237 -3.708 18225 13498 1 39 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.740 -0.086 18225 13499 1 39 . 1 1 23 23 ASP C C 23 176.119 176.119 175.539 0.580 18225 13500 1 39 . 1 1 23 23 ASP CA C 23 53.903 53.903 53.735 0.168 18225 13501 1 39 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.379 -1.241 18225 13502 1 39 . 1 1 23 23 ASP H H 23 8.114 8.114 8.720 -0.606 18225 13503 1 39 . 1 1 24 24 TRP N N 24 121.466 121.466 117.940 3.526 18225 13504 1 39 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.746 -0.270 18225 13505 1 39 . 1 1 24 24 TRP C C 24 176.578 176.578 175.528 1.050 18225 13506 1 39 . 1 1 24 24 TRP CA C 24 58.311 58.311 55.845 2.466 18225 13507 1 39 . 1 1 24 24 TRP CB C 24 29.186 29.186 28.980 0.206 18225 13508 1 39 . 1 1 24 24 TRP H H 24 8.034 8.034 7.309 0.725 18225 13509 1 39 . 1 1 25 25 LYS N N 25 119.430 119.430 121.978 -2.548 18225 13510 1 39 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.499 0.546 18225 13511 1 39 . 1 1 25 25 LYS C C 25 176.798 176.798 175.961 0.837 18225 13512 1 39 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.531 0.230 18225 13513 1 39 . 1 1 25 25 LYS CB C 25 32.409 32.409 32.375 0.034 18225 13514 1 39 . 1 1 25 25 LYS H H 25 7.880 7.880 7.503 0.377 18225 13515 1 39 . 1 1 26 26 SER N N 26 113.780 113.780 111.296 2.484 18225 13516 1 39 . 1 1 26 26 SER HA H 26 4.461 4.461 4.293 0.168 18225 13517 1 39 . 1 1 26 26 SER C C 26 174.957 174.957 174.134 0.823 18225 13518 1 39 . 1 1 26 26 SER CA C 26 58.760 58.760 58.055 0.705 18225 13519 1 39 . 1 1 26 26 SER CB C 26 63.889 63.889 63.068 0.821 18225 13520 1 39 . 1 1 26 26 SER H H 26 7.893 7.893 7.991 -0.098 18225 13521 1 39 . 1 1 27 27 SER N N 27 116.730 116.730 120.255 -3.525 18225 13522 1 39 . 1 1 27 27 SER HA H 27 4.328 4.328 4.382 -0.054 18225 13523 1 39 . 1 1 27 27 SER C C 27 175.563 175.563 174.479 1.084 18225 13524 1 39 . 1 1 27 27 SER CA C 27 59.856 59.856 57.923 1.933 18225 13525 1 39 . 1 1 27 27 SER CB C 27 63.819 63.819 62.083 1.736 18225 13526 1 39 . 1 1 27 27 SER H H 27 8.137 8.137 8.764 -0.627 18225 13527 1 39 . 1 1 28 28 GLY N N 28 110.734 110.734 109.309 1.425 18225 13528 1 39 . 1 1 28 28 GLY C C 28 174.314 174.314 173.410 0.904 18225 13529 1 39 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.771 1.354 18225 13530 1 39 . 1 1 28 28 GLY H H 28 8.477 8.477 7.736 0.741 18225 13531 1 39 . 1 1 29 29 ALA N N 29 121.690 121.690 121.103 0.587 18225 13532 1 39 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.039 0.250 18225 13533 1 39 . 1 1 29 29 ALA C C 29 177.330 177.330 176.116 1.214 18225 13534 1 39 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.794 0.380 18225 13535 1 39 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.622 2.262 18225 13536 1 39 . 1 1 29 29 ALA H H 29 8.189 8.189 7.963 0.226 18225 13537 1 39 . 1 1 30 30 LEU N N 30 117.292 117.292 113.597 3.695 18225 13538 1 39 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.577 -0.498 18225 13539 1 39 . 1 1 30 30 LEU C C 30 177.377 177.377 176.732 0.645 18225 13540 1 39 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.667 3.567 18225 13541 1 39 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.261 0.153 18225 13542 1 39 . 1 1 30 30 LEU H H 30 7.873 7.873 8.064 -0.191 18225 13543 1 39 . 1 1 31 31 ILE N N 31 116.517 116.517 120.299 -3.782 18225 13544 1 39 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.175 -0.292 18225 13545 1 39 . 1 1 31 31 ILE CA C 31 66.266 66.266 64.762 1.504 18225 13546 1 39 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.590 -0.834 18225 13547 1 39 . 1 1 31 31 ILE H H 31 8.262 8.262 8.177 0.085 18225 13548 1 39 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.707 -0.495 18225 13549 1 39 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.483 2.509 18225 13550 1 39 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.713 0.279 18225 13551 1 39 . 1 1 33 33 ALA N N 33 118.208 118.208 119.826 -1.618 18225 13552 1 39 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.411 -0.345 18225 13553 1 39 . 1 1 33 33 ALA C C 33 178.814 178.814 177.406 1.408 18225 13554 1 39 . 1 1 33 33 ALA CA C 33 55.689 55.689 52.955 2.734 18225 13555 1 39 . 1 1 33 33 ALA CB C 33 18.379 18.379 20.426 -2.047 18225 13556 1 39 . 1 1 33 33 ALA H H 33 7.613 7.613 7.641 -0.028 18225 13557 1 39 . 1 1 34 34 ILE N N 34 117.730 117.730 118.683 -0.953 18225 13558 1 39 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.074 -0.409 18225 13559 1 39 . 1 1 34 34 ILE C C 34 177.826 177.826 176.860 0.966 18225 13560 1 39 . 1 1 34 34 ILE CA C 34 65.154 65.154 61.741 3.413 18225 13561 1 39 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.980 -1.697 18225 13562 1 39 . 1 1 34 34 ILE H H 34 8.259 8.259 7.603 0.656 18225 13563 1 39 . 1 1 35 35 TYR N N 35 118.693 118.693 119.769 -1.076 18225 13564 1 39 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.097 -0.004 18225 13565 1 39 . 1 1 35 35 TYR C C 35 177.885 177.885 177.238 0.647 18225 13566 1 39 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.144 0.494 18225 13567 1 39 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.246 -0.322 18225 13568 1 39 . 1 1 35 35 TYR H H 35 8.347 8.347 7.669 0.678 18225 13569 1 39 . 1 1 36 36 MET N N 36 117.356 117.356 118.459 -1.103 18225 13570 1 39 . 1 1 36 36 MET HA H 36 4.220 4.220 3.604 0.616 18225 13571 1 39 . 1 1 36 36 MET C C 36 177.903 177.903 176.702 1.201 18225 13572 1 39 . 1 1 36 36 MET CA C 36 58.653 58.653 58.303 0.350 18225 13573 1 39 . 1 1 36 36 MET CB C 36 32.172 32.172 32.594 -0.422 18225 13574 1 39 . 1 1 36 36 MET H H 36 8.252 8.252 7.744 0.508 18225 13575 1 39 . 1 1 37 37 LEU N N 37 119.978 119.978 116.813 3.165 18225 13576 1 39 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.206 -0.178 18225 13577 1 39 . 1 1 37 37 LEU C C 37 178.393 178.393 176.477 1.916 18225 13578 1 39 . 1 1 37 37 LEU CA C 37 58.642 58.642 55.464 3.178 18225 13579 1 39 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.078 1.911 18225 13580 1 39 . 1 1 37 37 LEU H H 37 8.301 8.301 8.197 0.104 18225 13581 1 39 . 1 1 38 38 VAL N N 38 117.991 117.991 116.464 1.527 18225 13582 1 39 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.170 -0.668 18225 13583 1 39 . 1 1 38 38 VAL C C 38 177.962 177.962 176.149 1.813 18225 13584 1 39 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.600 3.555 18225 13585 1 39 . 1 1 38 38 VAL CB C 38 31.415 31.415 34.253 -2.838 18225 13586 1 39 . 1 1 38 38 VAL H H 38 8.414 8.414 7.530 0.884 18225 13587 1 39 . 1 1 39 39 PHE N N 39 119.830 119.830 123.097 -3.267 18225 13588 1 39 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.318 -0.140 18225 13589 1 39 . 1 1 39 39 PHE C C 39 178.233 178.233 175.474 2.759 18225 13590 1 39 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.683 0.820 18225 13591 1 39 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.604 -0.546 18225 13592 1 39 . 1 1 39 39 PHE H H 39 8.337 8.337 7.454 0.883 18225 13593 1 39 . 1 1 40 40 LEU N N 40 119.985 119.985 111.671 8.314 18225 13594 1 39 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.057 -0.091 18225 13595 1 39 . 1 1 40 40 LEU C C 40 179.279 179.279 176.235 3.044 18225 13596 1 39 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.863 3.009 18225 13597 1 39 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.684 0.704 18225 13598 1 39 . 1 1 40 40 LEU H H 40 8.603 8.603 7.063 1.540 18225 13599 1 39 . 1 1 41 41 LEU N N 41 118.649 118.649 117.481 1.168 18225 13600 1 39 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.430 -0.386 18225 13601 1 39 . 1 1 41 41 LEU C C 41 178.670 178.670 176.700 1.970 18225 13602 1 39 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.694 2.989 18225 13603 1 39 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.425 -0.493 18225 13604 1 39 . 1 1 41 41 LEU H H 41 8.486 8.486 7.465 1.021 18225 13605 1 39 . 1 1 42 42 GLY N N 42 105.262 105.262 105.619 -0.357 18225 13606 1 39 . 1 1 42 42 GLY C C 42 174.814 174.814 174.416 0.398 18225 13607 1 39 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.779 0.625 18225 13608 1 39 . 1 1 42 42 GLY H H 42 8.289 8.289 7.806 0.483 18225 13609 1 39 . 1 1 43 43 THR N N 43 111.955 111.955 115.264 -3.309 18225 13610 1 39 . 1 1 43 43 THR HA H 43 4.243 4.243 4.454 -0.211 18225 13611 1 39 . 1 1 43 43 THR C C 43 175.888 175.888 175.928 -0.040 18225 13612 1 39 . 1 1 43 43 THR CA C 43 63.505 63.505 62.866 0.639 18225 13613 1 39 . 1 1 43 43 THR CB C 43 69.598 69.598 69.945 -0.347 18225 13614 1 39 . 1 1 43 43 THR H H 43 7.891 7.891 7.527 0.364 18225 13615 1 39 . 1 1 44 44 THR N N 44 111.997 111.997 118.338 -6.341 18225 13616 1 39 . 1 1 44 44 THR HA H 44 4.320 4.320 4.067 0.253 18225 13617 1 39 . 1 1 44 44 THR C C 44 175.543 175.543 176.082 -0.539 18225 13618 1 39 . 1 1 44 44 THR CA C 44 63.009 63.009 65.917 -2.908 18225 13619 1 39 . 1 1 44 44 THR CB C 44 69.881 69.881 68.906 0.975 18225 13620 1 39 . 1 1 44 44 THR H H 44 7.740 7.740 7.746 -0.006 18225 13621 1 39 . 1 1 45 45 GLY N N 45 109.564 109.564 109.238 0.326 18225 13622 1 39 . 1 1 45 45 GLY C C 45 174.928 174.928 174.558 0.370 18225 13623 1 39 . 1 1 45 45 GLY CA C 45 46.420 46.420 46.721 -0.301 18225 13624 1 39 . 1 1 45 45 GLY H H 45 8.243 8.243 8.382 -0.139 18225 13625 1 39 . 1 1 46 46 ASN N N 46 117.851 117.851 116.534 1.317 18225 13626 1 39 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.702 0.015 18225 13627 1 39 . 1 1 46 46 ASN C C 46 176.127 176.127 175.954 0.173 18225 13628 1 39 . 1 1 46 46 ASN CA C 46 54.614 54.614 52.518 2.096 18225 13629 1 39 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.320 0.991 18225 13630 1 39 . 1 1 46 46 ASN H H 46 8.170 8.170 7.834 0.336 18225 13631 1 39 . 1 1 47 47 GLY N N 47 108.287 108.287 108.040 0.247 18225 13632 1 39 . 1 1 47 47 GLY C C 47 174.612 174.612 174.419 0.193 18225 13633 1 39 . 1 1 47 47 GLY CA C 47 47.241 47.241 44.834 2.407 18225 13634 1 39 . 1 1 47 47 GLY H H 47 8.663 8.663 8.235 0.428 18225 13635 1 39 . 1 1 48 48 LEU N N 48 120.479 120.479 117.063 3.416 18225 13636 1 39 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.411 -0.143 18225 13637 1 39 . 1 1 48 48 LEU C C 48 179.407 179.407 176.954 2.453 18225 13638 1 39 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.207 1.385 18225 13639 1 39 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.453 0.285 18225 13640 1 39 . 1 1 48 48 LEU H H 48 8.149 8.149 8.548 -0.399 18225 13641 1 39 . 1 1 49 49 VAL N N 49 119.968 119.968 117.374 2.594 18225 13642 1 39 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.249 -0.433 18225 13643 1 39 . 1 1 49 49 VAL C C 49 177.444 177.444 176.374 1.070 18225 13644 1 39 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.141 1.802 18225 13645 1 39 . 1 1 49 49 VAL CB C 49 31.678 31.678 32.750 -1.072 18225 13646 1 39 . 1 1 49 49 VAL H H 49 7.969 7.969 7.899 0.070 18225 13647 1 39 . 1 1 50 50 LEU N N 50 119.329 119.329 115.460 3.869 18225 13648 1 39 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.864 -0.852 18225 13649 1 39 . 1 1 50 50 LEU C C 50 178.085 178.085 177.210 0.875 18225 13650 1 39 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.276 2.641 18225 13651 1 39 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.684 0.021 18225 13652 1 39 . 1 1 50 50 LEU H H 50 7.814 7.814 7.931 -0.117 18225 13653 1 39 . 1 1 51 51 TRP N N 51 118.186 118.186 123.527 -5.341 18225 13654 1 39 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.831 -0.342 18225 13655 1 39 . 1 1 51 51 TRP C C 51 177.377 177.377 178.309 -0.932 18225 13656 1 39 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.261 -0.203 18225 13657 1 39 . 1 1 51 51 TRP CB C 51 29.781 29.781 29.271 0.510 18225 13658 1 39 . 1 1 51 51 TRP H H 51 8.125 8.125 8.088 0.037 18225 13659 1 39 . 1 1 52 52 THR N N 52 113.180 113.180 114.526 -1.346 18225 13660 1 39 . 1 1 52 52 THR HA H 52 3.787 3.787 2.912 0.875 18225 13661 1 39 . 1 1 52 52 THR C C 52 176.309 176.309 176.313 -0.004 18225 13662 1 39 . 1 1 52 52 THR CA C 52 66.473 66.473 65.587 0.886 18225 13663 1 39 . 1 1 52 52 THR CB C 52 68.865 68.865 67.748 1.117 18225 13664 1 39 . 1 1 52 52 THR H H 52 8.079 8.079 7.872 0.207 18225 13665 1 39 . 1 1 53 53 VAL N N 53 119.953 119.953 119.552 0.401 18225 13666 1 39 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.652 -0.004 18225 13667 1 39 . 1 1 53 53 VAL C C 53 177.252 177.252 177.513 -0.261 18225 13668 1 39 . 1 1 53 53 VAL CA C 53 66.086 66.086 66.311 -0.225 18225 13669 1 39 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.228 0.476 18225 13670 1 39 . 1 1 53 53 VAL H H 53 7.913 7.913 7.956 -0.043 18225 13671 1 39 . 1 1 54 54 PHE N N 54 118.204 118.204 118.259 -0.055 18225 13672 1 39 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.290 -0.043 18225 13673 1 39 . 1 1 54 54 PHE C C 54 177.144 177.144 175.428 1.716 18225 13674 1 39 . 1 1 54 54 PHE CA C 54 60.454 60.454 58.941 1.513 18225 13675 1 39 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.389 0.728 18225 13676 1 39 . 1 1 54 54 PHE H H 54 8.030 8.030 8.058 -0.028 18225 13677 1 39 . 1 1 55 55 ARG N N 55 117.725 117.725 117.269 0.456 18225 13678 1 39 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.456 -0.572 18225 13679 1 39 . 1 1 55 55 ARG C C 55 177.443 177.443 177.512 -0.069 18225 13680 1 39 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.474 1.081 18225 13681 1 39 . 1 1 55 55 ARG CB C 55 29.807 29.807 32.260 -2.453 18225 13682 1 39 . 1 1 55 55 ARG H H 55 8.034 8.034 8.195 -0.161 18225 13683 1 39 . 1 1 56 56 LYS N N 56 118.622 118.622 120.917 -2.295 18225 13684 1 39 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.067 0.097 18225 13685 1 39 . 1 1 56 56 LYS C C 56 177.418 177.418 178.095 -0.677 18225 13686 1 39 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.901 -0.384 18225 13687 1 39 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.110 0.698 18225 13688 1 39 . 1 1 56 56 LYS H H 56 7.804 7.804 8.231 -0.427 18225 13689 1 39 . 1 1 57 57 LYS N N 57 118.937 118.937 117.296 1.641 18225 13690 1 39 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.021 0.237 18225 13691 1 39 . 1 1 57 57 LYS C C 57 177.029 177.029 177.998 -0.969 18225 13692 1 39 . 1 1 57 57 LYS CA C 57 56.610 56.610 58.157 -1.547 18225 13693 1 39 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.829 1.049 18225 13694 1 39 . 1 1 57 57 LYS H H 57 7.974 7.974 7.276 0.698 18225 13695 1 39 . 1 1 58 58 GLY N N 58 107.785 107.785 108.277 -0.492 18225 13696 1 39 . 1 1 58 58 GLY C C 58 173.543 173.543 175.143 -1.600 18225 13697 1 39 . 1 1 58 58 GLY CA C 58 45.473 45.473 46.898 -1.425 18225 13698 1 39 . 1 1 58 58 GLY H H 58 8.136 8.136 7.585 0.551 18225 13699 1 39 . 1 1 59 59 HIS N N 59 117.024 117.024 121.077 -4.053 18225 13700 1 39 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.189 0.433 18225 13701 1 39 . 1 1 59 59 HIS C C 59 174.183 174.183 175.578 -1.395 18225 13702 1 39 . 1 1 59 59 HIS CA C 59 55.281 55.281 58.205 -2.924 18225 13703 1 39 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.254 -0.173 18225 13704 1 39 . 1 1 59 59 HIS H H 59 8.163 8.163 8.223 -0.060 18225 13705 1 39 . 1 1 60 60 HIS N N 60 118.841 118.841 115.274 3.567 18225 13706 1 39 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.980 -0.350 18225 13707 1 39 . 1 1 60 60 HIS C C 60 174.157 174.157 173.903 0.254 18225 13708 1 39 . 1 1 60 60 HIS CA C 60 55.340 55.340 55.182 0.158 18225 13709 1 39 . 1 1 60 60 HIS CB C 60 29.104 29.104 32.377 -3.273 18225 13710 1 39 . 1 1 60 60 HIS H H 60 8.507 8.507 8.457 0.050 18225 13711 1 39 . 1 1 61 61 HIS N N 61 119.636 119.636 117.386 2.250 18225 13712 1 39 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.264 0.390 18225 13713 1 39 . 1 1 61 61 HIS C C 61 174.095 174.095 174.532 -0.437 18225 13714 1 39 . 1 1 61 61 HIS CA C 61 55.329 55.329 55.421 -0.092 18225 13715 1 39 . 1 1 61 61 HIS CB C 61 29.234 29.234 31.450 -2.216 18225 13716 1 39 . 1 1 61 61 HIS H H 61 8.613 8.613 8.652 -0.039 18225 13717 1 39 . 1 1 62 62 HIS N N 62 120.286 120.286 117.678 2.608 18225 13718 1 39 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.444 0.216 18225 13719 1 39 . 1 1 62 62 HIS C C 62 173.928 173.928 173.764 0.164 18225 13720 1 39 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.913 -1.556 18225 13721 1 39 . 1 1 62 62 HIS CB C 62 29.329 29.329 29.216 0.113 18225 13722 1 39 . 1 1 62 62 HIS H H 62 8.680 8.680 8.138 0.542 18225 13723 1 39 . 1 1 63 63 HIS N N 63 120.408 120.408 121.574 -1.166 18225 13724 1 39 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.586 0.063 18225 13725 1 39 . 1 1 63 63 HIS C C 63 173.437 173.437 174.189 -0.752 18225 13726 1 39 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.703 -0.139 18225 13727 1 39 . 1 1 63 63 HIS CB C 63 29.483 29.483 30.163 -0.680 18225 13728 1 39 . 1 1 63 63 HIS H H 63 8.541 8.541 8.483 0.058 18225 13729 1 40 . 1 1 2 2 GLU N N 2 123.432 123.432 122.510 0.922 18225 13730 1 40 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.528 -0.119 18225 13731 1 40 . 1 1 2 2 GLU C C 2 175.510 175.510 175.857 -0.347 18225 13732 1 40 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.011 0.205 18225 13733 1 40 . 1 1 2 2 GLU CB C 2 29.538 29.538 28.361 1.177 18225 13734 1 40 . 1 1 2 2 GLU H H 2 8.824 8.824 8.685 0.139 18225 13735 1 40 . 1 1 3 3 GLU N N 3 121.813 121.813 120.487 1.326 18225 13736 1 40 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.138 0.240 18225 13737 1 40 . 1 1 3 3 GLU C C 3 176.299 176.299 177.399 -1.100 18225 13738 1 40 . 1 1 3 3 GLU CA C 3 56.292 56.292 56.805 -0.513 18225 13739 1 40 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.003 -0.551 18225 13740 1 40 . 1 1 3 3 GLU H H 3 8.546 8.546 7.742 0.804 18225 13741 1 40 . 1 1 4 4 GLY N N 4 109.619 109.619 110.273 -0.654 18225 13742 1 40 . 1 1 4 4 GLY C C 4 174.449 174.449 173.995 0.454 18225 13743 1 40 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.640 0.890 18225 13744 1 40 . 1 1 4 4 GLY H H 4 8.463 8.463 8.677 -0.214 18225 13745 1 40 . 1 1 5 5 GLY N N 5 108.241 108.241 108.496 -0.255 18225 13746 1 40 . 1 1 5 5 GLY C C 5 173.965 173.965 174.206 -0.241 18225 13747 1 40 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.295 1.157 18225 13748 1 40 . 1 1 5 5 GLY H H 5 8.220 8.220 7.625 0.595 18225 13749 1 40 . 1 1 6 6 ASP N N 6 119.184 119.184 122.081 -2.897 18225 13750 1 40 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.497 0.101 18225 13751 1 40 . 1 1 6 6 ASP C C 6 175.801 175.801 176.655 -0.854 18225 13752 1 40 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.519 -1.607 18225 13753 1 40 . 1 1 6 6 ASP CB C 6 39.335 39.335 41.270 -1.935 18225 13754 1 40 . 1 1 6 6 ASP H H 6 8.329 8.329 8.740 -0.411 18225 13755 1 40 . 1 1 7 7 PHE N N 7 119.589 119.589 115.966 3.623 18225 13756 1 40 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.718 -0.238 18225 13757 1 40 . 1 1 7 7 PHE C C 7 175.881 175.881 174.166 1.715 18225 13758 1 40 . 1 1 7 7 PHE CA C 7 58.821 58.821 57.535 1.286 18225 13759 1 40 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.789 -0.707 18225 13760 1 40 . 1 1 7 7 PHE H H 7 8.342 8.342 7.684 0.658 18225 13761 1 40 . 1 1 8 8 ASP N N 8 118.430 118.430 121.346 -2.916 18225 13762 1 40 . 1 1 8 8 ASP HA H 8 4.456 4.456 3.482 0.974 18225 13763 1 40 . 1 1 8 8 ASP C C 8 175.642 175.642 175.559 0.083 18225 13764 1 40 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.059 0.544 18225 13765 1 40 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.350 -2.766 18225 13766 1 40 . 1 1 8 8 ASP H H 8 8.223 8.223 7.652 0.571 18225 13767 1 40 . 1 1 9 9 ASN N N 9 117.097 117.097 120.651 -3.554 18225 13768 1 40 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.130 0.429 18225 13769 1 40 . 1 1 9 9 ASN C C 9 175.264 175.264 173.740 1.524 18225 13770 1 40 . 1 1 9 9 ASN CA C 9 53.844 53.844 54.035 -0.191 18225 13771 1 40 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.185 -0.470 18225 13772 1 40 . 1 1 9 9 ASN H H 9 8.069 8.069 8.298 -0.229 18225 13773 1 40 . 1 1 10 10 TYR N N 10 119.007 119.007 115.958 3.049 18225 13774 1 40 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.536 -0.187 18225 13775 1 40 . 1 1 10 10 TYR C C 10 175.387 175.387 175.884 -0.497 18225 13776 1 40 . 1 1 10 10 TYR CA C 10 59.194 59.194 59.407 -0.214 18225 13777 1 40 . 1 1 10 10 TYR CB C 10 38.828 38.828 39.208 -0.380 18225 13778 1 40 . 1 1 10 10 TYR H H 10 7.901 7.901 7.616 0.285 18225 13779 1 40 . 1 1 11 11 TYR N N 11 117.992 117.992 118.494 -0.502 18225 13780 1 40 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.103 0.340 18225 13781 1 40 . 1 1 11 11 TYR C C 11 175.765 175.765 177.230 -1.465 18225 13782 1 40 . 1 1 11 11 TYR CA C 11 58.372 58.372 60.370 -1.998 18225 13783 1 40 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.626 1.168 18225 13784 1 40 . 1 1 11 11 TYR H H 11 7.885 7.885 8.682 -0.797 18225 13785 1 40 . 1 1 12 12 GLY N N 12 108.601 108.601 109.140 -0.539 18225 13786 1 40 . 1 1 12 12 GLY C C 12 173.934 173.934 173.780 0.154 18225 13787 1 40 . 1 1 12 12 GLY CA C 12 45.489 45.489 44.656 0.833 18225 13788 1 40 . 1 1 12 12 GLY H H 12 7.861 7.861 8.525 -0.664 18225 13789 1 40 . 1 1 13 13 ALA N N 13 122.926 122.926 123.670 -0.744 18225 13790 1 40 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.263 0.016 18225 13791 1 40 . 1 1 13 13 ALA C C 13 177.457 177.457 176.874 0.583 18225 13792 1 40 . 1 1 13 13 ALA CA C 13 52.782 52.782 51.782 1.000 18225 13793 1 40 . 1 1 13 13 ALA CB C 13 19.447 19.447 19.320 0.127 18225 13794 1 40 . 1 1 13 13 ALA H H 13 7.985 7.985 7.234 0.751 18225 13795 1 40 . 1 1 14 14 ASP N N 14 117.380 117.380 116.237 1.143 18225 13796 1 40 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.341 0.299 18225 13797 1 40 . 1 1 14 14 ASP C C 14 175.428 175.428 175.700 -0.272 18225 13798 1 40 . 1 1 14 14 ASP CA C 14 53.672 53.672 55.914 -2.242 18225 13799 1 40 . 1 1 14 14 ASP CB C 14 39.365 39.365 39.401 -0.036 18225 13800 1 40 . 1 1 14 14 ASP H H 14 8.330 8.330 8.406 -0.076 18225 13801 1 40 . 1 1 15 15 ASN N N 15 118.465 118.465 117.389 1.076 18225 13802 1 40 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.660 -0.021 18225 13803 1 40 . 1 1 15 15 ASN C C 15 175.467 175.467 175.006 0.461 18225 13804 1 40 . 1 1 15 15 ASN CA C 15 53.657 53.657 54.391 -0.734 18225 13805 1 40 . 1 1 15 15 ASN CB C 15 38.968 38.968 39.013 -0.045 18225 13806 1 40 . 1 1 15 15 ASN H H 15 8.207 8.207 8.369 -0.162 18225 13807 1 40 . 1 1 16 16 GLN N N 16 119.741 119.741 118.106 1.635 18225 13808 1 40 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.552 -0.237 18225 13809 1 40 . 1 1 16 16 GLN C C 16 176.350 176.350 174.833 1.517 18225 13810 1 40 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.380 1.260 18225 13811 1 40 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.860 0.236 18225 13812 1 40 . 1 1 16 16 GLN H H 16 8.292 8.292 8.178 0.114 18225 13813 1 40 . 1 1 17 17 SER N N 17 115.772 115.772 115.744 0.028 18225 13814 1 40 . 1 1 17 17 SER HA H 17 4.390 4.390 4.609 -0.219 18225 13815 1 40 . 1 1 17 17 SER C C 17 174.799 174.799 173.172 1.627 18225 13816 1 40 . 1 1 17 17 SER CA C 17 59.165 59.165 57.175 1.990 18225 13817 1 40 . 1 1 17 17 SER CB C 17 63.651 63.651 65.003 -1.352 18225 13818 1 40 . 1 1 17 17 SER H H 17 8.224 8.224 7.654 0.570 18225 13819 1 40 . 1 1 18 18 GLU N N 18 121.211 121.211 121.363 -0.152 18225 13820 1 40 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.244 0.074 18225 13821 1 40 . 1 1 18 18 GLU C C 18 176.201 176.201 175.709 0.492 18225 13822 1 40 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.828 -1.103 18225 13823 1 40 . 1 1 18 18 GLU CB C 18 28.965 28.965 29.608 -0.643 18225 13824 1 40 . 1 1 18 18 GLU H H 18 8.285 8.285 8.649 -0.364 18225 13825 1 40 . 1 1 19 19 CYS N N 19 118.653 118.653 123.022 -4.369 18225 13826 1 40 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.657 -0.234 18225 13827 1 40 . 1 1 19 19 CYS C C 19 174.698 174.698 173.587 1.111 18225 13828 1 40 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.655 -0.580 18225 13829 1 40 . 1 1 19 19 CYS CB C 19 27.850 27.850 30.220 -2.370 18225 13830 1 40 . 1 1 19 19 CYS H H 19 8.202 8.202 8.823 -0.621 18225 13831 1 40 . 1 1 20 20 GLU N N 20 121.851 121.851 118.102 3.749 18225 13832 1 40 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.629 -0.364 18225 13833 1 40 . 1 1 20 20 GLU C C 20 176.100 176.100 174.884 1.216 18225 13834 1 40 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.145 0.677 18225 13835 1 40 . 1 1 20 20 GLU CB C 20 28.976 28.976 30.193 -1.217 18225 13836 1 40 . 1 1 20 20 GLU H H 20 8.349 8.349 8.360 -0.011 18225 13837 1 40 . 1 1 21 21 TYR N N 21 118.491 118.491 118.668 -0.177 18225 13838 1 40 . 1 1 21 21 TYR HA H 21 4.418 4.418 5.211 -0.793 18225 13839 1 40 . 1 1 21 21 TYR C C 21 175.881 175.881 175.042 0.839 18225 13840 1 40 . 1 1 21 21 TYR CA C 21 58.731 58.731 57.162 1.569 18225 13841 1 40 . 1 1 21 21 TYR CB C 21 38.626 38.626 39.098 -0.472 18225 13842 1 40 . 1 1 21 21 TYR H H 21 7.974 7.974 8.030 -0.056 18225 13843 1 40 . 1 1 22 22 THR N N 22 112.161 112.161 112.958 -0.797 18225 13844 1 40 . 1 1 22 22 THR HA H 22 4.105 4.105 4.141 -0.036 18225 13845 1 40 . 1 1 22 22 THR C C 22 174.666 174.666 173.979 0.687 18225 13846 1 40 . 1 1 22 22 THR CA C 22 63.190 63.190 62.987 0.202 18225 13847 1 40 . 1 1 22 22 THR CB C 22 69.306 69.306 69.619 -0.313 18225 13848 1 40 . 1 1 22 22 THR H H 22 7.747 7.747 8.230 -0.483 18225 13849 1 40 . 1 1 23 23 ASP N N 23 120.529 120.529 124.215 -3.686 18225 13850 1 40 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.608 0.046 18225 13851 1 40 . 1 1 23 23 ASP C C 23 176.119 176.119 176.046 0.073 18225 13852 1 40 . 1 1 23 23 ASP CA C 23 53.903 53.903 54.511 -0.608 18225 13853 1 40 . 1 1 23 23 ASP CB C 23 39.138 39.138 38.657 0.481 18225 13854 1 40 . 1 1 23 23 ASP H H 23 8.114 8.114 8.846 -0.732 18225 13855 1 40 . 1 1 24 24 TRP N N 24 121.466 121.466 119.734 1.732 18225 13856 1 40 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.594 -0.118 18225 13857 1 40 . 1 1 24 24 TRP C C 24 176.578 176.578 175.133 1.445 18225 13858 1 40 . 1 1 24 24 TRP CA C 24 58.311 58.311 57.519 0.792 18225 13859 1 40 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.639 -0.453 18225 13860 1 40 . 1 1 24 24 TRP H H 24 8.034 8.034 7.617 0.417 18225 13861 1 40 . 1 1 25 25 LYS N N 25 119.430 119.430 120.667 -1.237 18225 13862 1 40 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.066 0.979 18225 13863 1 40 . 1 1 25 25 LYS C C 25 176.798 176.798 174.466 2.332 18225 13864 1 40 . 1 1 25 25 LYS CA C 25 57.761 57.761 56.685 1.076 18225 13865 1 40 . 1 1 25 25 LYS CB C 25 32.409 32.409 30.975 1.434 18225 13866 1 40 . 1 1 25 25 LYS H H 25 7.880 7.880 6.417 1.463 18225 13867 1 40 . 1 1 26 26 SER N N 26 113.780 113.780 114.432 -0.652 18225 13868 1 40 . 1 1 26 26 SER HA H 26 4.461 4.461 4.743 -0.282 18225 13869 1 40 . 1 1 26 26 SER C C 26 174.957 174.957 174.059 0.898 18225 13870 1 40 . 1 1 26 26 SER CA C 26 58.760 58.760 57.990 0.770 18225 13871 1 40 . 1 1 26 26 SER CB C 26 63.889 63.889 65.114 -1.225 18225 13872 1 40 . 1 1 26 26 SER H H 26 7.893 7.893 7.801 0.092 18225 13873 1 40 . 1 1 27 27 SER N N 27 116.730 116.730 119.628 -2.898 18225 13874 1 40 . 1 1 27 27 SER HA H 27 4.328 4.328 4.760 -0.432 18225 13875 1 40 . 1 1 27 27 SER C C 27 175.563 175.563 175.089 0.474 18225 13876 1 40 . 1 1 27 27 SER CA C 27 59.856 59.856 60.550 -0.694 18225 13877 1 40 . 1 1 27 27 SER CB C 27 63.819 63.819 63.395 0.424 18225 13878 1 40 . 1 1 27 27 SER H H 27 8.137 8.137 9.094 -0.957 18225 13879 1 40 . 1 1 28 28 GLY N N 28 110.734 110.734 105.222 5.512 18225 13880 1 40 . 1 1 28 28 GLY C C 28 174.314 174.314 173.211 1.103 18225 13881 1 40 . 1 1 28 28 GLY CA C 28 46.125 46.125 44.826 1.299 18225 13882 1 40 . 1 1 28 28 GLY H H 28 8.477 8.477 8.031 0.446 18225 13883 1 40 . 1 1 29 29 ALA N N 29 121.690 121.690 120.687 1.003 18225 13884 1 40 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.045 0.244 18225 13885 1 40 . 1 1 29 29 ALA C C 29 177.330 177.330 176.413 0.917 18225 13886 1 40 . 1 1 29 29 ALA CA C 29 53.174 53.174 52.779 0.395 18225 13887 1 40 . 1 1 29 29 ALA CB C 29 19.884 19.884 17.493 2.391 18225 13888 1 40 . 1 1 29 29 ALA H H 29 8.189 8.189 7.910 0.279 18225 13889 1 40 . 1 1 30 30 LEU N N 30 117.292 117.292 113.004 4.288 18225 13890 1 40 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.716 -0.637 18225 13891 1 40 . 1 1 30 30 LEU C C 30 177.377 177.377 177.120 0.257 18225 13892 1 40 . 1 1 30 30 LEU CA C 30 58.234 58.234 54.870 3.364 18225 13893 1 40 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.510 -0.096 18225 13894 1 40 . 1 1 30 30 LEU H H 30 7.873 7.873 8.014 -0.141 18225 13895 1 40 . 1 1 31 31 ILE N N 31 116.517 116.517 120.850 -4.333 18225 13896 1 40 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.283 -0.400 18225 13897 1 40 . 1 1 31 31 ILE CA C 31 66.266 66.266 63.369 2.897 18225 13898 1 40 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.146 -0.390 18225 13899 1 40 . 1 1 31 31 ILE H H 31 8.262 8.262 8.152 0.110 18225 13900 1 40 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.746 -0.534 18225 13901 1 40 . 1 1 32 32 PRO CA C 32 65.993 65.993 63.191 2.802 18225 13902 1 40 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.696 0.296 18225 13903 1 40 . 1 1 33 33 ALA N N 33 118.208 118.208 120.998 -2.790 18225 13904 1 40 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.402 -0.336 18225 13905 1 40 . 1 1 33 33 ALA C C 33 178.814 178.814 177.692 1.122 18225 13906 1 40 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.672 2.018 18225 13907 1 40 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.776 -1.397 18225 13908 1 40 . 1 1 33 33 ALA H H 33 7.613 7.613 7.780 -0.167 18225 13909 1 40 . 1 1 34 34 ILE N N 34 117.730 117.730 115.225 2.505 18225 13910 1 40 . 1 1 34 34 ILE HA H 34 3.665 3.665 4.342 -0.677 18225 13911 1 40 . 1 1 34 34 ILE C C 34 177.826 177.826 177.036 0.790 18225 13912 1 40 . 1 1 34 34 ILE CA C 34 65.154 65.154 62.569 2.585 18225 13913 1 40 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.638 -1.355 18225 13914 1 40 . 1 1 34 34 ILE H H 34 8.259 8.259 7.353 0.906 18225 13915 1 40 . 1 1 35 35 TYR N N 35 118.693 118.693 122.146 -3.453 18225 13916 1 40 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.212 -0.119 18225 13917 1 40 . 1 1 35 35 TYR C C 35 177.885 177.885 175.965 1.920 18225 13918 1 40 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.334 0.305 18225 13919 1 40 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.232 -0.308 18225 13920 1 40 . 1 1 35 35 TYR H H 35 8.347 8.347 7.924 0.423 18225 13921 1 40 . 1 1 36 36 MET N N 36 117.356 117.356 118.439 -1.083 18225 13922 1 40 . 1 1 36 36 MET HA H 36 4.220 4.220 3.969 0.251 18225 13923 1 40 . 1 1 36 36 MET C C 36 177.903 177.903 177.439 0.464 18225 13924 1 40 . 1 1 36 36 MET CA C 36 58.653 58.653 57.638 1.015 18225 13925 1 40 . 1 1 36 36 MET CB C 36 32.172 32.172 32.751 -0.579 18225 13926 1 40 . 1 1 36 36 MET H H 36 8.252 8.252 7.854 0.398 18225 13927 1 40 . 1 1 37 37 LEU N N 37 119.978 119.978 121.338 -1.360 18225 13928 1 40 . 1 1 37 37 LEU HA H 37 4.028 4.028 3.926 0.102 18225 13929 1 40 . 1 1 37 37 LEU C C 37 178.393 178.393 179.301 -0.908 18225 13930 1 40 . 1 1 37 37 LEU CA C 37 58.642 58.642 57.578 1.064 18225 13931 1 40 . 1 1 37 37 LEU CB C 37 41.989 41.989 41.429 0.560 18225 13932 1 40 . 1 1 37 37 LEU H H 37 8.301 8.301 7.969 0.332 18225 13933 1 40 . 1 1 38 38 VAL N N 38 117.991 117.991 118.158 -0.167 18225 13934 1 40 . 1 1 38 38 VAL HA H 38 3.502 3.502 3.593 -0.091 18225 13935 1 40 . 1 1 38 38 VAL C C 38 177.962 177.962 177.579 0.383 18225 13936 1 40 . 1 1 38 38 VAL CA C 38 67.155 67.155 65.969 1.186 18225 13937 1 40 . 1 1 38 38 VAL CB C 38 31.415 31.415 31.015 0.400 18225 13938 1 40 . 1 1 38 38 VAL H H 38 8.414 8.414 8.211 0.203 18225 13939 1 40 . 1 1 39 39 PHE N N 39 119.830 119.830 119.053 0.777 18225 13940 1 40 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.173 0.005 18225 13941 1 40 . 1 1 39 39 PHE C C 39 178.233 178.233 176.363 1.870 18225 13942 1 40 . 1 1 39 39 PHE CA C 39 61.503 61.503 62.008 -0.505 18225 13943 1 40 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.382 -0.324 18225 13944 1 40 . 1 1 39 39 PHE H H 39 8.337 8.337 8.063 0.274 18225 13945 1 40 . 1 1 40 40 LEU N N 40 119.985 119.985 115.396 4.589 18225 13946 1 40 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.476 -0.510 18225 13947 1 40 . 1 1 40 40 LEU C C 40 179.279 179.279 176.531 2.748 18225 13948 1 40 . 1 1 40 40 LEU CA C 40 57.872 57.872 54.823 3.049 18225 13949 1 40 . 1 1 40 40 LEU CB C 40 42.387 42.387 41.400 0.987 18225 13950 1 40 . 1 1 40 40 LEU H H 40 8.603 8.603 7.735 0.868 18225 13951 1 40 . 1 1 41 41 LEU N N 41 118.649 118.649 118.165 0.484 18225 13952 1 40 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.506 -0.462 18225 13953 1 40 . 1 1 41 41 LEU C C 41 178.670 178.670 176.837 1.833 18225 13954 1 40 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.991 2.692 18225 13955 1 40 . 1 1 41 41 LEU CB C 41 41.931 41.931 44.343 -2.412 18225 13956 1 40 . 1 1 41 41 LEU H H 41 8.486 8.486 7.295 1.191 18225 13957 1 40 . 1 1 42 42 GLY N N 42 105.262 105.262 106.253 -0.991 18225 13958 1 40 . 1 1 42 42 GLY C C 42 174.814 174.814 174.085 0.729 18225 13959 1 40 . 1 1 42 42 GLY CA C 42 46.405 46.405 45.957 0.448 18225 13960 1 40 . 1 1 42 42 GLY H H 42 8.289 8.289 8.114 0.175 18225 13961 1 40 . 1 1 43 43 THR N N 43 111.955 111.955 114.270 -2.315 18225 13962 1 40 . 1 1 43 43 THR HA H 43 4.243 4.243 4.255 -0.012 18225 13963 1 40 . 1 1 43 43 THR C C 43 175.888 175.888 175.883 0.005 18225 13964 1 40 . 1 1 43 43 THR CA C 43 63.505 63.505 63.506 -0.001 18225 13965 1 40 . 1 1 43 43 THR CB C 43 69.598 69.598 69.097 0.501 18225 13966 1 40 . 1 1 43 43 THR H H 43 7.891 7.891 7.447 0.444 18225 13967 1 40 . 1 1 44 44 THR N N 44 111.997 111.997 118.850 -6.853 18225 13968 1 40 . 1 1 44 44 THR HA H 44 4.320 4.320 4.061 0.259 18225 13969 1 40 . 1 1 44 44 THR C C 44 175.543 175.543 176.127 -0.584 18225 13970 1 40 . 1 1 44 44 THR CA C 44 63.009 63.009 65.860 -2.851 18225 13971 1 40 . 1 1 44 44 THR CB C 44 69.881 69.881 69.096 0.785 18225 13972 1 40 . 1 1 44 44 THR H H 44 7.740 7.740 7.825 -0.085 18225 13973 1 40 . 1 1 45 45 GLY N N 45 109.564 109.564 109.386 0.178 18225 13974 1 40 . 1 1 45 45 GLY C C 45 174.928 174.928 174.567 0.361 18225 13975 1 40 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.263 1.157 18225 13976 1 40 . 1 1 45 45 GLY H H 45 8.243 8.243 8.471 -0.228 18225 13977 1 40 . 1 1 46 46 ASN N N 46 117.851 117.851 117.427 0.424 18225 13978 1 40 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.475 0.242 18225 13979 1 40 . 1 1 46 46 ASN C C 46 176.127 176.127 175.028 1.099 18225 13980 1 40 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.691 0.923 18225 13981 1 40 . 1 1 46 46 ASN CB C 46 39.311 39.311 38.562 0.749 18225 13982 1 40 . 1 1 46 46 ASN H H 46 8.170 8.170 7.914 0.256 18225 13983 1 40 . 1 1 47 47 GLY N N 47 108.287 108.287 108.553 -0.266 18225 13984 1 40 . 1 1 47 47 GLY C C 47 174.612 174.612 174.737 -0.125 18225 13985 1 40 . 1 1 47 47 GLY CA C 47 47.241 47.241 44.904 2.337 18225 13986 1 40 . 1 1 47 47 GLY H H 47 8.663 8.663 8.417 0.246 18225 13987 1 40 . 1 1 48 48 LEU N N 48 120.479 120.479 121.130 -0.651 18225 13988 1 40 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.688 -0.420 18225 13989 1 40 . 1 1 48 48 LEU C C 48 179.407 179.407 177.448 1.959 18225 13990 1 40 . 1 1 48 48 LEU CA C 48 57.592 57.592 56.602 0.990 18225 13991 1 40 . 1 1 48 48 LEU CB C 48 41.738 41.738 41.550 0.188 18225 13992 1 40 . 1 1 48 48 LEU H H 48 8.149 8.149 8.084 0.065 18225 13993 1 40 . 1 1 49 49 VAL N N 49 119.968 119.968 115.018 4.950 18225 13994 1 40 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.239 -0.423 18225 13995 1 40 . 1 1 49 49 VAL C C 49 177.444 177.444 176.175 1.269 18225 13996 1 40 . 1 1 49 49 VAL CA C 49 65.943 65.943 63.155 2.788 18225 13997 1 40 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.193 0.485 18225 13998 1 40 . 1 1 49 49 VAL H H 49 7.969 7.969 8.002 -0.033 18225 13999 1 40 . 1 1 50 50 LEU N N 50 119.329 119.329 115.174 4.155 18225 14000 1 40 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.858 -0.846 18225 14001 1 40 . 1 1 50 50 LEU C C 50 178.085 178.085 176.585 1.500 18225 14002 1 40 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.155 2.762 18225 14003 1 40 . 1 1 50 50 LEU CB C 50 41.706 41.706 42.965 -1.259 18225 14004 1 40 . 1 1 50 50 LEU H H 50 7.814 7.814 7.325 0.489 18225 14005 1 40 . 1 1 51 51 TRP N N 51 118.186 118.186 122.786 -4.600 18225 14006 1 40 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.627 -0.138 18225 14007 1 40 . 1 1 51 51 TRP C C 51 177.377 177.377 178.389 -1.012 18225 14008 1 40 . 1 1 51 51 TRP CA C 51 60.058 60.058 60.019 0.039 18225 14009 1 40 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.188 -0.407 18225 14010 1 40 . 1 1 51 51 TRP H H 51 8.125 8.125 7.838 0.287 18225 14011 1 40 . 1 1 52 52 THR N N 52 113.180 113.180 114.781 -1.601 18225 14012 1 40 . 1 1 52 52 THR HA H 52 3.787 3.787 2.840 0.947 18225 14013 1 40 . 1 1 52 52 THR C C 52 176.309 176.309 176.212 0.097 18225 14014 1 40 . 1 1 52 52 THR CA C 52 66.473 66.473 65.022 1.451 18225 14015 1 40 . 1 1 52 52 THR CB C 52 68.865 68.865 67.725 1.140 18225 14016 1 40 . 1 1 52 52 THR H H 52 8.079 8.079 8.274 -0.195 18225 14017 1 40 . 1 1 53 53 VAL N N 53 119.953 119.953 120.246 -0.293 18225 14018 1 40 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.652 -0.004 18225 14019 1 40 . 1 1 53 53 VAL C C 53 177.252 177.252 176.889 0.363 18225 14020 1 40 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.040 1.046 18225 14021 1 40 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.277 0.427 18225 14022 1 40 . 1 1 53 53 VAL H H 53 7.913 7.913 7.909 0.004 18225 14023 1 40 . 1 1 54 54 PHE N N 54 118.204 118.204 118.752 -0.548 18225 14024 1 40 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.394 -0.147 18225 14025 1 40 . 1 1 54 54 PHE C C 54 177.144 177.144 176.075 1.069 18225 14026 1 40 . 1 1 54 54 PHE CA C 54 60.454 60.454 58.934 1.520 18225 14027 1 40 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.816 0.300 18225 14028 1 40 . 1 1 54 54 PHE H H 54 8.030 8.030 8.138 -0.108 18225 14029 1 40 . 1 1 55 55 ARG N N 55 117.725 117.725 117.957 -0.232 18225 14030 1 40 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.507 -0.623 18225 14031 1 40 . 1 1 55 55 ARG C C 55 177.443 177.443 176.758 0.685 18225 14032 1 40 . 1 1 55 55 ARG CA C 55 57.554 57.554 56.849 0.706 18225 14033 1 40 . 1 1 55 55 ARG CB C 55 29.807 29.807 32.358 -2.551 18225 14034 1 40 . 1 1 55 55 ARG H H 55 8.034 8.034 7.948 0.086 18225 14035 1 40 . 1 1 56 56 LYS N N 56 118.622 118.622 119.113 -0.491 18225 14036 1 40 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.405 -0.241 18225 14037 1 40 . 1 1 56 56 LYS C C 56 177.418 177.418 177.229 0.189 18225 14038 1 40 . 1 1 56 56 LYS CA C 56 57.517 57.517 56.225 1.292 18225 14039 1 40 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.348 0.460 18225 14040 1 40 . 1 1 56 56 LYS H H 56 7.804 7.804 7.696 0.108 18225 14041 1 40 . 1 1 57 57 LYS N N 57 118.937 118.937 121.388 -2.451 18225 14042 1 40 . 1 1 57 57 LYS HA H 57 4.258 4.258 3.938 0.320 18225 14043 1 40 . 1 1 57 57 LYS C C 57 177.029 177.029 176.796 0.233 18225 14044 1 40 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.051 -0.441 18225 14045 1 40 . 1 1 57 57 LYS CB C 57 32.878 32.878 32.224 0.654 18225 14046 1 40 . 1 1 57 57 LYS H H 57 7.974 7.974 7.586 0.388 18225 14047 1 40 . 1 1 58 58 GLY N N 58 107.785 107.785 106.980 0.805 18225 14048 1 40 . 1 1 58 58 GLY C C 58 173.543 173.543 173.897 -0.354 18225 14049 1 40 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.008 0.465 18225 14050 1 40 . 1 1 58 58 GLY H H 58 8.136 8.136 8.353 -0.217 18225 14051 1 40 . 1 1 59 59 HIS N N 59 117.024 117.024 114.938 2.086 18225 14052 1 40 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.127 0.495 18225 14053 1 40 . 1 1 59 59 HIS C C 59 174.183 174.183 174.093 0.090 18225 14054 1 40 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.560 -0.279 18225 14055 1 40 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.073 0.008 18225 14056 1 40 . 1 1 59 59 HIS H H 59 8.163 8.163 7.987 0.176 18225 14057 1 40 . 1 1 60 60 HIS N N 60 118.841 118.841 121.319 -2.478 18225 14058 1 40 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.439 0.191 18225 14059 1 40 . 1 1 60 60 HIS C C 60 174.157 174.157 175.148 -0.991 18225 14060 1 40 . 1 1 60 60 HIS CA C 60 55.340 55.340 57.096 -1.756 18225 14061 1 40 . 1 1 60 60 HIS CB C 60 29.104 29.104 29.713 -0.609 18225 14062 1 40 . 1 1 60 60 HIS H H 60 8.507 8.507 8.428 0.079 18225 14063 1 40 . 1 1 61 61 HIS N N 61 119.636 119.636 125.615 -5.979 18225 14064 1 40 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.496 0.158 18225 14065 1 40 . 1 1 61 61 HIS C C 61 174.095 174.095 175.401 -1.306 18225 14066 1 40 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.159 -0.830 18225 14067 1 40 . 1 1 61 61 HIS CB C 61 29.234 29.234 29.485 -0.251 18225 14068 1 40 . 1 1 61 61 HIS H H 61 8.613 8.613 8.559 0.054 18225 14069 1 40 . 1 1 62 62 HIS N N 62 120.286 120.286 124.328 -4.042 18225 14070 1 40 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.404 0.256 18225 14071 1 40 . 1 1 62 62 HIS C C 62 173.928 173.928 174.013 -0.085 18225 14072 1 40 . 1 1 62 62 HIS CA C 62 55.356 55.356 55.377 -0.021 18225 14073 1 40 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.927 -1.598 18225 14074 1 40 . 1 1 62 62 HIS H H 62 8.680 8.680 8.964 -0.284 18225 14075 1 40 . 1 1 63 63 HIS N N 63 120.408 120.408 121.121 -0.713 18225 14076 1 40 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.253 0.396 18225 14077 1 40 . 1 1 63 63 HIS C C 63 173.437 173.437 173.850 -0.413 18225 14078 1 40 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.494 0.070 18225 14079 1 40 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.470 0.013 18225 14080 1 40 . 1 1 63 63 HIS H H 63 8.541 8.541 8.622 -0.081 18225 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 61 2.425 0.061 2.445 18225 2 1 1 "Average Difference" HA 67 0.330 -0.029 0.332 18225 3 1 1 "Average Difference" C 60 1.099 -0.313 1.063 18225 4 1 1 "Average Difference" CA 62 1.391 -0.388 1.346 18225 5 1 1 "Average Difference" CB 54 1.166 0.330 1.129 18225 6 1 1 "Average Difference" HN 61 0.467 -0.153 0.445 18225 7 1 2 "Average Difference" N 61 2.799 0.488 2.779 18225 8 1 2 "Average Difference" HA 67 0.386 -0.010 0.389 18225 9 1 2 "Average Difference" C 60 1.146 -0.324 1.109 18225 10 1 2 "Average Difference" CA 62 1.430 -0.338 1.401 18225 11 1 2 "Average Difference" CB 54 1.057 0.284 1.027 18225 12 1 2 "Average Difference" HN 61 0.495 -0.164 0.471 18225 13 1 3 "Average Difference" N 61 2.563 0.129 2.581 18225 14 1 3 "Average Difference" HA 67 0.351 0.042 0.351 18225 15 1 3 "Average Difference" C 60 1.137 -0.282 1.110 18225 16 1 3 "Average Difference" CA 62 1.598 -0.422 1.554 18225 17 1 3 "Average Difference" CB 54 1.279 0.376 1.234 18225 18 1 3 "Average Difference" HN 61 0.490 -0.189 0.456 18225 19 1 4 "Average Difference" N 61 2.611 0.160 2.628 18225 20 1 4 "Average Difference" HA 67 0.362 0.014 0.364 18225 21 1 4 "Average Difference" C 60 1.196 -0.060 1.204 18225 22 1 4 "Average Difference" CA 62 1.548 -0.358 1.518 18225 23 1 4 "Average Difference" CB 54 1.093 0.234 1.077 18225 24 1 4 "Average Difference" HN 61 0.443 -0.100 0.435 18225 25 1 5 "Average Difference" N 61 3.284 -0.114 3.309 18225 26 1 5 "Average Difference" HA 67 0.309 0.005 0.311 18225 27 1 5 "Average Difference" C 60 1.078 -0.328 1.036 18225 28 1 5 "Average Difference" CA 62 1.612 -0.557 1.525 18225 29 1 5 "Average Difference" CB 54 1.119 0.061 1.128 18225 30 1 5 "Average Difference" HN 61 0.549 -0.161 0.529 18225 31 1 6 "Average Difference" N 61 2.652 0.000 2.674 18225 32 1 6 "Average Difference" HA 67 0.380 -0.033 0.382 18225 33 1 6 "Average Difference" C 60 1.095 -0.412 1.024 18225 34 1 6 "Average Difference" CA 62 1.432 -0.426 1.378 18225 35 1 6 "Average Difference" CB 54 0.989 0.071 0.996 18225 36 1 6 "Average Difference" HN 61 0.454 -0.142 0.434 18225 37 1 7 "Average Difference" N 61 3.060 0.016 3.086 18225 38 1 7 "Average Difference" HA 67 0.399 -0.043 0.399 18225 39 1 7 "Average Difference" C 60 1.231 -0.278 1.209 18225 40 1 7 "Average Difference" CA 62 1.686 -0.557 1.605 18225 41 1 7 "Average Difference" CB 54 1.308 -0.026 1.320 18225 42 1 7 "Average Difference" HN 61 0.479 -0.170 0.452 18225 43 1 8 "Average Difference" N 61 3.060 0.074 3.085 18225 44 1 8 "Average Difference" HA 67 0.362 -0.017 0.364 18225 45 1 8 "Average Difference" C 60 1.160 -0.453 1.077 18225 46 1 8 "Average Difference" CA 62 1.597 -0.445 1.546 18225 47 1 8 "Average Difference" CB 54 1.310 0.165 1.311 18225 48 1 8 "Average Difference" HN 61 0.529 -0.092 0.526 18225 49 1 9 "Average Difference" N 61 2.797 0.071 2.819 18225 50 1 9 "Average Difference" HA 67 0.346 -0.027 0.347 18225 51 1 9 "Average Difference" C 60 1.045 -0.154 1.042 18225 52 1 9 "Average Difference" CA 62 1.549 -0.235 1.544 18225 53 1 9 "Average Difference" CB 54 1.147 0.057 1.157 18225 54 1 9 "Average Difference" HN 61 0.546 -0.175 0.522 18225 55 1 10 "Average Difference" N 61 3.014 0.402 3.012 18225 56 1 10 "Average Difference" HA 67 0.301 -0.039 0.300 18225 57 1 10 "Average Difference" C 60 1.122 -0.238 1.106 18225 58 1 10 "Average Difference" CA 62 1.617 -0.451 1.566 18225 59 1 10 "Average Difference" CB 54 1.051 0.024 1.061 18225 60 1 10 "Average Difference" HN 61 0.525 -0.157 0.505 18225 61 1 11 "Average Difference" N 61 3.079 0.321 3.087 18225 62 1 11 "Average Difference" HA 67 0.341 0.030 0.343 18225 63 1 11 "Average Difference" C 60 1.155 -0.332 1.115 18225 64 1 11 "Average Difference" CA 62 1.574 -0.489 1.509 18225 65 1 11 "Average Difference" CB 54 1.132 0.114 1.137 18225 66 1 11 "Average Difference" HN 61 0.518 -0.178 0.491 18225 67 1 12 "Average Difference" N 61 2.863 0.222 2.879 18225 68 1 12 "Average Difference" HA 67 0.315 -0.021 0.316 18225 69 1 12 "Average Difference" C 60 1.024 -0.134 1.024 18225 70 1 12 "Average Difference" CA 62 1.577 -0.156 1.582 18225 71 1 12 "Average Difference" CB 54 1.278 0.295 1.255 18225 72 1 12 "Average Difference" HN 61 0.440 -0.116 0.428 18225 73 1 13 "Average Difference" N 61 2.636 0.041 2.658 18225 74 1 13 "Average Difference" HA 67 0.309 0.035 0.310 18225 75 1 13 "Average Difference" C 60 1.210 -0.496 1.113 18225 76 1 13 "Average Difference" CA 62 1.521 -0.463 1.461 18225 77 1 13 "Average Difference" CB 54 1.081 0.167 1.078 18225 78 1 13 "Average Difference" HN 61 0.563 -0.200 0.531 18225 79 1 14 "Average Difference" N 61 2.731 0.078 2.753 18225 80 1 14 "Average Difference" HA 67 0.345 -0.009 0.347 18225 81 1 14 "Average Difference" C 60 1.040 -0.156 1.037 18225 82 1 14 "Average Difference" CA 62 1.352 -0.235 1.342 18225 83 1 14 "Average Difference" CB 54 1.083 0.054 1.092 18225 84 1 14 "Average Difference" HN 61 0.477 -0.165 0.452 18225 85 1 15 "Average Difference" N 61 2.820 -0.079 2.842 18225 86 1 15 "Average Difference" HA 67 0.330 0.007 0.332 18225 87 1 15 "Average Difference" C 60 1.181 -0.324 1.146 18225 88 1 15 "Average Difference" CA 62 1.682 -0.512 1.615 18225 89 1 15 "Average Difference" CB 54 1.235 0.025 1.247 18225 90 1 15 "Average Difference" HN 61 0.483 -0.168 0.456 18225 91 1 16 "Average Difference" N 61 2.499 0.320 2.499 18225 92 1 16 "Average Difference" HA 67 0.381 -0.037 0.382 18225 93 1 16 "Average Difference" C 60 1.142 -0.263 1.121 18225 94 1 16 "Average Difference" CA 62 1.542 -0.336 1.518 18225 95 1 16 "Average Difference" CB 54 1.229 0.150 1.231 18225 96 1 16 "Average Difference" HN 61 0.502 -0.137 0.487 18225 97 1 17 "Average Difference" N 61 3.070 0.250 3.086 18225 98 1 17 "Average Difference" HA 67 0.342 0.019 0.344 18225 99 1 17 "Average Difference" C 60 1.183 -0.515 1.074 18225 100 1 17 "Average Difference" CA 62 1.669 -0.570 1.581 18225 101 1 17 "Average Difference" CB 54 1.110 0.179 1.106 18225 102 1 17 "Average Difference" HN 61 0.461 -0.133 0.445 18225 103 1 18 "Average Difference" N 61 3.060 0.246 3.075 18225 104 1 18 "Average Difference" HA 67 0.372 -0.001 0.375 18225 105 1 18 "Average Difference" C 60 1.357 -0.268 1.341 18225 106 1 18 "Average Difference" CA 62 1.742 -0.409 1.707 18225 107 1 18 "Average Difference" CB 54 1.312 0.280 1.294 18225 108 1 18 "Average Difference" HN 61 0.546 -0.199 0.512 18225 109 1 19 "Average Difference" N 61 2.936 0.569 2.904 18225 110 1 19 "Average Difference" HA 67 0.347 -0.064 0.344 18225 111 1 19 "Average Difference" C 60 1.142 -0.240 1.126 18225 112 1 19 "Average Difference" CA 62 1.430 -0.193 1.429 18225 113 1 19 "Average Difference" CB 54 1.089 0.127 1.092 18225 114 1 19 "Average Difference" HN 61 0.450 -0.140 0.432 18225 115 1 20 "Average Difference" N 61 3.058 0.524 3.038 18225 116 1 20 "Average Difference" HA 67 0.294 0.037 0.294 18225 117 1 20 "Average Difference" C 60 1.219 -0.415 1.156 18225 118 1 20 "Average Difference" CA 62 1.584 -0.559 1.495 18225 119 1 20 "Average Difference" CB 54 1.237 0.142 1.240 18225 120 1 20 "Average Difference" HN 61 0.507 -0.101 0.501 18225 121 1 21 "Average Difference" N 61 3.010 0.384 3.011 18225 122 1 21 "Average Difference" HA 67 0.285 -0.004 0.287 18225 123 1 21 "Average Difference" C 60 1.140 -0.272 1.116 18225 124 1 21 "Average Difference" CA 62 1.630 -0.571 1.539 18225 125 1 21 "Average Difference" CB 54 0.970 0.193 0.959 18225 126 1 21 "Average Difference" HN 61 0.459 -0.171 0.429 18225 127 1 22 "Average Difference" N 61 2.564 0.082 2.584 18225 128 1 22 "Average Difference" HA 67 0.294 0.016 0.296 18225 129 1 22 "Average Difference" C 60 1.015 -0.084 1.020 18225 130 1 22 "Average Difference" CA 62 1.414 -0.359 1.379 18225 131 1 22 "Average Difference" CB 54 1.049 0.247 1.029 18225 132 1 22 "Average Difference" HN 61 0.478 -0.152 0.458 18225 133 1 23 "Average Difference" N 61 2.767 0.162 2.785 18225 134 1 23 "Average Difference" HA 67 0.288 0.013 0.290 18225 135 1 23 "Average Difference" C 60 1.091 -0.075 1.098 18225 136 1 23 "Average Difference" CA 62 1.411 -0.170 1.412 18225 137 1 23 "Average Difference" CB 54 1.189 0.115 1.195 18225 138 1 23 "Average Difference" HN 61 0.458 -0.113 0.447 18225 139 1 24 "Average Difference" N 61 3.230 0.260 3.247 18225 140 1 24 "Average Difference" HA 67 0.339 -0.004 0.341 18225 141 1 24 "Average Difference" C 60 1.259 -0.359 1.217 18225 142 1 24 "Average Difference" CA 62 1.513 -0.428 1.463 18225 143 1 24 "Average Difference" CB 54 1.135 0.215 1.125 18225 144 1 24 "Average Difference" HN 61 0.456 -0.148 0.435 18225 145 1 25 "Average Difference" N 61 3.013 0.378 3.014 18225 146 1 25 "Average Difference" HA 67 0.353 0.004 0.356 18225 147 1 25 "Average Difference" C 60 1.332 -0.513 1.240 18225 148 1 25 "Average Difference" CA 62 1.662 -0.458 1.611 18225 149 1 25 "Average Difference" CB 54 1.194 0.057 1.204 18225 150 1 25 "Average Difference" HN 61 0.461 -0.174 0.431 18225 151 1 26 "Average Difference" N 61 3.113 0.398 3.113 18225 152 1 26 "Average Difference" HA 67 0.391 -0.028 0.393 18225 153 1 26 "Average Difference" C 60 1.182 -0.210 1.173 18225 154 1 26 "Average Difference" CA 62 1.697 -0.513 1.631 18225 155 1 26 "Average Difference" CB 54 1.070 0.159 1.068 18225 156 1 26 "Average Difference" HN 61 0.432 -0.160 0.404 18225 157 1 27 "Average Difference" N 61 2.743 -0.024 2.766 18225 158 1 27 "Average Difference" HA 67 0.363 0.006 0.366 18225 159 1 27 "Average Difference" C 60 1.184 -0.191 1.178 18225 160 1 27 "Average Difference" CA 62 1.624 -0.396 1.588 18225 161 1 27 "Average Difference" CB 54 1.377 0.080 1.388 18225 162 1 27 "Average Difference" HN 61 0.461 -0.104 0.453 18225 163 1 28 "Average Difference" N 61 2.820 0.448 2.807 18225 164 1 28 "Average Difference" HA 67 0.301 0.055 0.298 18225 165 1 28 "Average Difference" C 60 1.067 -0.142 1.066 18225 166 1 28 "Average Difference" CA 62 1.673 -0.271 1.664 18225 167 1 28 "Average Difference" CB 54 1.223 0.196 1.219 18225 168 1 28 "Average Difference" HN 61 0.485 -0.152 0.464 18225 169 1 29 "Average Difference" N 61 3.130 0.513 3.113 18225 170 1 29 "Average Difference" HA 67 0.328 0.001 0.330 18225 171 1 29 "Average Difference" C 60 1.306 -0.276 1.287 18225 172 1 29 "Average Difference" CA 62 1.632 -0.461 1.578 18225 173 1 29 "Average Difference" CB 54 1.242 0.285 1.220 18225 174 1 29 "Average Difference" HN 61 0.553 -0.184 0.525 18225 175 1 30 "Average Difference" N 61 2.908 0.447 2.897 18225 176 1 30 "Average Difference" HA 67 0.299 0.018 0.301 18225 177 1 30 "Average Difference" C 60 1.037 -0.341 0.987 18225 178 1 30 "Average Difference" CA 62 1.507 -0.369 1.473 18225 179 1 30 "Average Difference" CB 54 1.018 0.060 1.026 18225 180 1 30 "Average Difference" HN 61 0.489 -0.165 0.464 18225 181 1 31 "Average Difference" N 61 2.757 -0.160 2.775 18225 182 1 31 "Average Difference" HA 67 0.296 0.042 0.295 18225 183 1 31 "Average Difference" C 60 1.266 -0.422 1.204 18225 184 1 31 "Average Difference" CA 62 1.602 -0.634 1.483 18225 185 1 31 "Average Difference" CB 54 1.383 0.195 1.382 18225 186 1 31 "Average Difference" HN 61 0.452 -0.149 0.430 18225 187 1 32 "Average Difference" N 61 2.776 0.055 2.798 18225 188 1 32 "Average Difference" HA 67 0.323 0.032 0.324 18225 189 1 32 "Average Difference" C 60 1.164 -0.354 1.118 18225 190 1 32 "Average Difference" CA 62 1.610 -0.436 1.563 18225 191 1 32 "Average Difference" CB 54 1.127 0.272 1.104 18225 192 1 32 "Average Difference" HN 61 0.460 -0.187 0.423 18225 193 1 33 "Average Difference" N 61 3.476 0.024 3.505 18225 194 1 33 "Average Difference" HA 67 0.342 0.030 0.344 18225 195 1 33 "Average Difference" C 60 1.040 -0.564 0.881 18225 196 1 33 "Average Difference" CA 62 1.567 -0.577 1.468 18225 197 1 33 "Average Difference" CB 54 1.109 0.202 1.101 18225 198 1 33 "Average Difference" HN 61 0.528 -0.197 0.494 18225 199 1 34 "Average Difference" N 61 3.119 0.414 3.117 18225 200 1 34 "Average Difference" HA 67 0.383 0.034 0.384 18225 201 1 34 "Average Difference" C 60 1.183 -0.364 1.135 18225 202 1 34 "Average Difference" CA 62 1.522 -0.330 1.497 18225 203 1 34 "Average Difference" CB 54 1.141 0.227 1.128 18225 204 1 34 "Average Difference" HN 61 0.444 -0.039 0.446 18225 205 1 35 "Average Difference" N 61 3.308 0.030 3.335 18225 206 1 35 "Average Difference" HA 67 0.336 0.002 0.338 18225 207 1 35 "Average Difference" C 60 1.247 -0.449 1.173 18225 208 1 35 "Average Difference" CA 62 1.553 -0.535 1.470 18225 209 1 35 "Average Difference" CB 54 1.188 0.231 1.177 18225 210 1 35 "Average Difference" HN 61 0.543 -0.201 0.509 18225 211 1 36 "Average Difference" N 61 2.832 0.479 2.814 18225 212 1 36 "Average Difference" HA 67 0.315 -0.023 0.317 18225 213 1 36 "Average Difference" C 60 1.076 -0.386 1.013 18225 214 1 36 "Average Difference" CA 62 1.505 -0.478 1.439 18225 215 1 36 "Average Difference" CB 54 1.202 0.103 1.208 18225 216 1 36 "Average Difference" HN 61 0.547 -0.160 0.527 18225 217 1 37 "Average Difference" N 61 2.544 0.152 2.561 18225 218 1 37 "Average Difference" HA 67 0.293 0.042 0.292 18225 219 1 37 "Average Difference" C 60 1.208 -0.308 1.178 18225 220 1 37 "Average Difference" CA 62 1.448 -0.357 1.414 18225 221 1 37 "Average Difference" CB 54 1.150 0.213 1.141 18225 222 1 37 "Average Difference" HN 61 0.454 -0.150 0.432 18225 223 1 38 "Average Difference" N 61 2.740 0.243 2.752 18225 224 1 38 "Average Difference" HA 67 0.372 -0.081 0.366 18225 225 1 38 "Average Difference" C 60 1.028 -0.328 0.983 18225 226 1 38 "Average Difference" CA 62 1.458 -0.541 1.365 18225 227 1 38 "Average Difference" CB 54 1.000 0.085 1.006 18225 228 1 38 "Average Difference" HN 61 0.556 -0.222 0.514 18225 229 1 39 "Average Difference" N 61 2.877 -0.045 2.900 18225 230 1 39 "Average Difference" HA 67 0.357 -0.008 0.359 18225 231 1 39 "Average Difference" C 60 1.144 -0.306 1.112 18225 232 1 39 "Average Difference" CA 62 1.708 -0.544 1.632 18225 233 1 39 "Average Difference" CB 54 1.258 0.126 1.264 18225 234 1 39 "Average Difference" HN 61 0.487 -0.154 0.466 18225 235 1 40 "Average Difference" N 61 2.660 0.388 2.653 18225 236 1 40 "Average Difference" HA 67 0.381 0.028 0.383 18225 237 1 40 "Average Difference" C 60 1.060 -0.503 0.940 18225 238 1 40 "Average Difference" CA 62 1.484 -0.641 1.349 18225 239 1 40 "Average Difference" CB 54 1.071 0.242 1.053 18225 240 1 40 "Average Difference" HN 61 0.474 -0.122 0.462 18225 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 18225 _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 GLU N N 2 123.432 123.432 122.180 1.252 18225 2 1 . 1 1 2 2 GLU HA H 2 4.409 4.409 4.365 0.044 18225 3 1 . 1 1 2 2 GLU C C 2 175.510 175.510 175.710 -0.200 18225 4 1 . 1 1 2 2 GLU CA C 2 56.216 56.216 56.450 -0.234 18225 5 1 . 1 1 2 2 GLU CB C 2 29.538 29.538 29.319 0.219 18225 6 1 . 1 1 2 2 GLU H H 2 8.824 8.824 8.558 0.266 18225 7 1 . 1 1 3 3 GLU N N 3 121.813 121.813 120.512 1.301 18225 8 1 . 1 1 3 3 GLU HA H 3 4.378 4.378 4.169 0.209 18225 9 1 . 1 1 3 3 GLU C C 3 176.299 176.299 177.141 -0.842 18225 10 1 . 1 1 3 3 GLU CA C 3 56.292 56.292 57.072 -0.780 18225 11 1 . 1 1 3 3 GLU CB C 3 29.452 29.452 30.151 -0.699 18225 12 1 . 1 1 3 3 GLU H H 3 8.546 8.546 8.206 0.340 18225 13 1 . 1 1 4 4 GLY N N 4 109.619 109.619 110.270 -0.651 18225 14 1 . 1 1 4 4 GLY C C 4 174.449 174.449 174.191 0.258 18225 15 1 . 1 1 4 4 GLY CA C 4 45.530 45.530 44.967 0.563 18225 16 1 . 1 1 4 4 GLY H H 4 8.463 8.463 8.646 -0.183 18225 17 1 . 1 1 5 5 GLY N N 5 108.241 108.241 108.638 -0.397 18225 18 1 . 1 1 5 5 GLY C C 5 173.965 173.965 174.223 -0.258 18225 19 1 . 1 1 5 5 GLY CA C 5 45.452 45.452 44.941 0.511 18225 20 1 . 1 1 5 5 GLY H H 5 8.220 8.220 7.869 0.351 18225 21 1 . 1 1 6 6 ASP N N 6 119.184 119.184 121.735 -2.551 18225 22 1 . 1 1 6 6 ASP HA H 6 4.598 4.598 4.354 0.244 18225 23 1 . 1 1 6 6 ASP C C 6 175.801 175.801 176.246 -0.445 18225 24 1 . 1 1 6 6 ASP CA C 6 53.912 53.912 55.205 -1.294 18225 25 1 . 1 1 6 6 ASP CB C 6 39.335 39.335 40.627 -1.292 18225 26 1 . 1 1 6 6 ASP H H 6 8.329 8.329 8.512 -0.183 18225 27 1 . 1 1 7 7 PHE N N 7 119.589 119.589 115.961 3.628 18225 28 1 . 1 1 7 7 PHE HA H 7 4.480 4.480 4.471 0.009 18225 29 1 . 1 1 7 7 PHE C C 7 175.881 175.881 174.792 1.089 18225 30 1 . 1 1 7 7 PHE CA C 7 58.821 58.821 58.041 0.780 18225 31 1 . 1 1 7 7 PHE CB C 7 39.082 39.082 39.206 -0.124 18225 32 1 . 1 1 7 7 PHE H H 7 8.342 8.342 7.686 0.656 18225 33 1 . 1 1 8 8 ASP N N 8 118.430 118.430 121.492 -3.062 18225 34 1 . 1 1 8 8 ASP HA H 8 4.456 4.456 4.214 0.242 18225 35 1 . 1 1 8 8 ASP C C 8 175.642 175.642 175.500 0.142 18225 36 1 . 1 1 8 8 ASP CA C 8 54.603 54.603 54.976 -0.373 18225 37 1 . 1 1 8 8 ASP CB C 8 38.584 38.584 41.014 -2.430 18225 38 1 . 1 1 8 8 ASP H H 8 8.223 8.223 8.025 0.198 18225 39 1 . 1 1 9 9 ASN N N 9 117.097 117.097 120.345 -3.248 18225 40 1 . 1 1 9 9 ASN HA H 9 4.559 4.559 4.357 0.202 18225 41 1 . 1 1 9 9 ASN C C 9 175.264 175.264 175.258 0.006 18225 42 1 . 1 1 9 9 ASN CA C 9 53.844 53.844 53.298 0.546 18225 43 1 . 1 1 9 9 ASN CB C 9 38.715 38.715 39.000 -0.285 18225 44 1 . 1 1 9 9 ASN H H 9 8.069 8.069 8.279 -0.210 18225 45 1 . 1 1 10 10 TYR N N 10 119.007 119.007 117.643 1.364 18225 46 1 . 1 1 10 10 TYR HA H 10 4.349 4.349 4.227 0.122 18225 47 1 . 1 1 10 10 TYR C C 10 175.387 175.387 176.192 -0.805 18225 48 1 . 1 1 10 10 TYR CA C 10 59.194 59.194 60.013 -0.819 18225 49 1 . 1 1 10 10 TYR CB C 10 38.828 38.828 37.732 1.096 18225 50 1 . 1 1 10 10 TYR H H 10 7.901 7.901 7.819 0.082 18225 51 1 . 1 1 11 11 TYR N N 11 117.992 117.992 118.976 -0.984 18225 52 1 . 1 1 11 11 TYR HA H 11 4.443 4.443 4.166 0.277 18225 53 1 . 1 1 11 11 TYR C C 11 175.765 175.765 176.693 -0.928 18225 54 1 . 1 1 11 11 TYR CA C 11 58.372 58.372 59.489 -1.117 18225 55 1 . 1 1 11 11 TYR CB C 11 38.794 38.794 37.923 0.871 18225 56 1 . 1 1 11 11 TYR H H 11 7.885 7.885 8.420 -0.535 18225 57 1 . 1 1 12 12 GLY N N 12 108.601 108.601 108.596 0.005 18225 58 1 . 1 1 12 12 GLY C C 12 173.934 173.934 174.301 -0.367 18225 59 1 . 1 1 12 12 GLY CA C 12 45.489 45.489 45.521 -0.032 18225 60 1 . 1 1 12 12 GLY H H 12 7.861 7.861 8.512 -0.651 18225 61 1 . 1 1 13 13 ALA N N 13 122.926 122.926 123.213 -0.287 18225 62 1 . 1 1 13 13 ALA HA H 13 4.279 4.279 4.089 0.190 18225 63 1 . 1 1 13 13 ALA C C 13 177.457 177.457 178.250 -0.793 18225 64 1 . 1 1 13 13 ALA CA C 13 52.782 52.782 53.409 -0.627 18225 65 1 . 1 1 13 13 ALA CB C 13 19.447 19.447 18.533 0.914 18225 66 1 . 1 1 13 13 ALA H H 13 7.985 7.985 7.998 -0.013 18225 67 1 . 1 1 14 14 ASP N N 14 117.380 117.380 118.867 -1.487 18225 68 1 . 1 1 14 14 ASP HA H 14 4.640 4.640 4.342 0.298 18225 69 1 . 1 1 14 14 ASP C C 14 175.428 175.428 177.748 -2.320 18225 70 1 . 1 1 14 14 ASP CA C 14 53.672 53.672 56.501 -2.829 18225 71 1 . 1 1 14 14 ASP CB C 14 39.365 39.365 40.210 -0.845 18225 72 1 . 1 1 14 14 ASP H H 14 8.330 8.330 8.597 -0.267 18225 73 1 . 1 1 15 15 ASN N N 15 118.465 118.465 116.901 1.564 18225 74 1 . 1 1 15 15 ASN HA H 15 4.639 4.639 4.507 0.132 18225 75 1 . 1 1 15 15 ASN C C 15 175.467 175.467 175.919 -0.452 18225 76 1 . 1 1 15 15 ASN CA C 15 53.657 53.657 55.132 -1.475 18225 77 1 . 1 1 15 15 ASN CB C 15 38.968 38.968 38.812 0.156 18225 78 1 . 1 1 15 15 ASN H H 15 8.207 8.207 8.155 0.052 18225 79 1 . 1 1 16 16 GLN N N 16 119.741 119.741 117.345 2.396 18225 80 1 . 1 1 16 16 GLN HA H 16 4.315 4.315 4.471 -0.156 18225 81 1 . 1 1 16 16 GLN C C 16 176.350 176.350 174.879 1.471 18225 82 1 . 1 1 16 16 GLN CA C 16 56.640 56.640 55.319 1.321 18225 83 1 . 1 1 16 16 GLN CB C 16 29.096 29.096 28.692 0.404 18225 84 1 . 1 1 16 16 GLN H H 16 8.292 8.292 7.869 0.423 18225 85 1 . 1 1 17 17 SER N N 17 115.772 115.772 115.719 0.053 18225 86 1 . 1 1 17 17 SER HA H 17 4.390 4.390 4.611 -0.221 18225 87 1 . 1 1 17 17 SER C C 17 174.799 174.799 173.455 1.344 18225 88 1 . 1 1 17 17 SER CA C 17 59.165 59.165 57.284 1.881 18225 89 1 . 1 1 17 17 SER CB C 17 63.651 63.651 64.743 -1.092 18225 90 1 . 1 1 17 17 SER H H 17 8.224 8.224 7.813 0.411 18225 91 1 . 1 1 18 18 GLU N N 18 121.211 121.211 122.207 -0.996 18225 92 1 . 1 1 18 18 GLU HA H 18 4.318 4.318 4.215 0.103 18225 93 1 . 1 1 18 18 GLU C C 18 176.201 176.201 175.788 0.413 18225 94 1 . 1 1 18 18 GLU CA C 18 56.725 56.725 57.671 -0.946 18225 95 1 . 1 1 18 18 GLU CB C 18 28.965 28.965 28.716 0.249 18225 96 1 . 1 1 18 18 GLU H H 18 8.285 8.285 8.739 -0.454 18225 97 1 . 1 1 19 19 CYS N N 19 118.653 118.653 121.921 -3.268 18225 98 1 . 1 1 19 19 CYS HA H 19 4.423 4.423 4.505 -0.082 18225 99 1 . 1 1 19 19 CYS C C 19 174.698 174.698 174.599 0.099 18225 100 1 . 1 1 19 19 CYS CA C 19 59.075 59.075 59.124 -0.049 18225 101 1 . 1 1 19 19 CYS CB C 19 27.850 27.850 28.461 -0.611 18225 102 1 . 1 1 19 19 CYS H H 19 8.202 8.202 8.532 -0.331 18225 103 1 . 1 1 20 20 GLU N N 20 121.851 121.851 118.359 3.492 18225 104 1 . 1 1 20 20 GLU HA H 20 4.265 4.265 4.309 -0.044 18225 105 1 . 1 1 20 20 GLU C C 20 176.100 176.100 175.230 0.870 18225 106 1 . 1 1 20 20 GLU CA C 20 56.822 56.822 56.750 0.072 18225 107 1 . 1 1 20 20 GLU CB C 20 28.976 28.976 29.333 -0.357 18225 108 1 . 1 1 20 20 GLU H H 20 8.349 8.349 8.414 -0.065 18225 109 1 . 1 1 21 21 TYR N N 21 118.491 118.491 117.721 0.770 18225 110 1 . 1 1 21 21 TYR HA H 21 4.418 4.418 4.984 -0.566 18225 111 1 . 1 1 21 21 TYR C C 21 175.881 175.881 175.297 0.584 18225 112 1 . 1 1 21 21 TYR CA C 21 58.731 58.731 58.215 0.516 18225 113 1 . 1 1 21 21 TYR CB C 21 38.626 38.626 38.499 0.127 18225 114 1 . 1 1 21 21 TYR H H 21 7.974 7.974 8.166 -0.192 18225 115 1 . 1 1 22 22 THR N N 22 112.161 112.161 112.267 -0.106 18225 116 1 . 1 1 22 22 THR HA H 22 4.105 4.105 4.179 -0.074 18225 117 1 . 1 1 22 22 THR C C 22 174.666 174.666 174.667 -0.001 18225 118 1 . 1 1 22 22 THR CA C 22 63.190 63.190 62.792 0.398 18225 119 1 . 1 1 22 22 THR CB C 22 69.306 69.306 69.280 0.026 18225 120 1 . 1 1 22 22 THR H H 22 7.747 7.747 7.930 -0.183 18225 121 1 . 1 1 23 23 ASP N N 23 120.529 120.529 122.646 -2.117 18225 122 1 . 1 1 23 23 ASP HA H 23 4.654 4.654 4.577 0.077 18225 123 1 . 1 1 23 23 ASP C C 23 176.119 176.119 176.446 -0.327 18225 124 1 . 1 1 23 23 ASP CA C 23 53.903 53.903 55.639 -1.736 18225 125 1 . 1 1 23 23 ASP CB C 23 39.138 39.138 40.409 -1.271 18225 126 1 . 1 1 23 23 ASP H H 23 8.114 8.114 8.535 -0.421 18225 127 1 . 1 1 24 24 TRP N N 24 121.466 121.466 117.484 3.982 18225 128 1 . 1 1 24 24 TRP HA H 24 4.476 4.476 4.672 -0.196 18225 129 1 . 1 1 24 24 TRP C C 24 176.578 176.578 175.571 1.007 18225 130 1 . 1 1 24 24 TRP CA C 24 58.311 58.311 56.604 1.707 18225 131 1 . 1 1 24 24 TRP CB C 24 29.186 29.186 29.323 -0.137 18225 132 1 . 1 1 24 24 TRP H H 24 8.034 8.034 7.641 0.393 18225 133 1 . 1 1 25 25 LYS N N 25 119.430 119.430 121.105 -1.675 18225 134 1 . 1 1 25 25 LYS HA H 25 4.045 4.045 3.127 0.918 18225 135 1 . 1 1 25 25 LYS C C 25 176.798 176.798 175.649 1.149 18225 136 1 . 1 1 25 25 LYS CA C 25 57.761 57.761 57.065 0.696 18225 137 1 . 1 1 25 25 LYS CB C 25 32.409 32.409 31.713 0.696 18225 138 1 . 1 1 25 25 LYS H H 25 7.880 7.880 7.062 0.818 18225 139 1 . 1 1 26 26 SER N N 26 113.780 113.780 115.645 -1.865 18225 140 1 . 1 1 26 26 SER HA H 26 4.461 4.461 4.359 0.102 18225 141 1 . 1 1 26 26 SER C C 26 174.957 174.957 174.246 0.711 18225 142 1 . 1 1 26 26 SER CA C 26 58.760 58.760 58.302 0.458 18225 143 1 . 1 1 26 26 SER CB C 26 63.889 63.889 63.784 0.105 18225 144 1 . 1 1 26 26 SER H H 26 7.893 7.893 7.884 0.009 18225 145 1 . 1 1 27 27 SER N N 27 116.730 116.730 118.545 -1.815 18225 146 1 . 1 1 27 27 SER HA H 27 4.328 4.328 4.359 -0.032 18225 147 1 . 1 1 27 27 SER C C 27 175.563 175.563 174.788 0.775 18225 148 1 . 1 1 27 27 SER CA C 27 59.856 59.856 59.272 0.584 18225 149 1 . 1 1 27 27 SER CB C 27 63.819 63.819 62.704 1.115 18225 150 1 . 1 1 27 27 SER H H 27 8.137 8.137 8.550 -0.413 18225 151 1 . 1 1 28 28 GLY N N 28 110.734 110.734 107.385 3.349 18225 152 1 . 1 1 28 28 GLY C C 28 174.314 174.314 173.691 0.623 18225 153 1 . 1 1 28 28 GLY CA C 28 46.125 46.125 45.112 1.013 18225 154 1 . 1 1 28 28 GLY H H 28 8.477 8.477 7.977 0.500 18225 155 1 . 1 1 29 29 ALA N N 29 121.690 121.690 120.986 0.704 18225 156 1 . 1 1 29 29 ALA HA H 29 4.289 4.289 4.213 0.076 18225 157 1 . 1 1 29 29 ALA C C 29 177.330 177.330 176.990 0.340 18225 158 1 . 1 1 29 29 ALA CA C 29 53.174 53.174 53.089 0.085 18225 159 1 . 1 1 29 29 ALA CB C 29 19.884 19.884 18.144 1.740 18225 160 1 . 1 1 29 29 ALA H H 29 8.189 8.189 8.039 0.150 18225 161 1 . 1 1 30 30 LEU N N 30 117.292 117.292 115.404 1.888 18225 162 1 . 1 1 30 30 LEU HA H 30 4.079 4.079 4.596 -0.517 18225 163 1 . 1 1 30 30 LEU C C 30 177.377 177.377 177.404 -0.027 18225 164 1 . 1 1 30 30 LEU CA C 30 58.234 58.234 55.435 2.799 18225 165 1 . 1 1 30 30 LEU CB C 30 42.414 42.414 42.300 0.115 18225 166 1 . 1 1 30 30 LEU H H 30 7.873 7.873 7.960 -0.087 18225 167 1 . 1 1 31 31 ILE N N 31 116.517 116.517 120.754 -4.237 18225 168 1 . 1 1 31 31 ILE HA H 31 3.883 3.883 4.211 -0.328 18225 169 1 . 1 1 31 31 ILE CA C 31 66.266 66.266 64.597 1.669 18225 170 1 . 1 1 31 31 ILE CB C 31 34.756 34.756 35.298 -0.542 18225 171 1 . 1 1 31 31 ILE H H 31 8.262 8.262 8.163 0.099 18225 172 1 . 1 1 32 32 PRO HA H 32 4.212 4.212 4.435 -0.223 18225 173 1 . 1 1 32 32 PRO CA C 32 65.993 65.993 64.601 1.392 18225 174 1 . 1 1 32 32 PRO CB C 32 30.992 30.992 30.720 0.272 18225 175 1 . 1 1 33 33 ALA N N 33 118.208 118.208 120.061 -1.853 18225 176 1 . 1 1 33 33 ALA HA H 33 4.066 4.066 4.372 -0.306 18225 177 1 . 1 1 33 33 ALA C C 33 178.814 178.814 178.672 0.142 18225 178 1 . 1 1 33 33 ALA CA C 33 55.689 55.689 53.465 2.224 18225 179 1 . 1 1 33 33 ALA CB C 33 18.379 18.379 19.683 -1.304 18225 180 1 . 1 1 33 33 ALA H H 33 7.613 7.613 7.538 0.075 18225 181 1 . 1 1 34 34 ILE N N 34 117.730 117.730 119.059 -1.329 18225 182 1 . 1 1 34 34 ILE HA H 34 3.665 3.665 3.815 -0.150 18225 183 1 . 1 1 34 34 ILE C C 34 177.826 177.826 177.239 0.587 18225 184 1 . 1 1 34 34 ILE CA C 34 65.154 65.154 64.363 0.791 18225 185 1 . 1 1 34 34 ILE CB C 34 37.283 37.283 38.288 -1.005 18225 186 1 . 1 1 34 34 ILE H H 34 8.259 8.259 7.555 0.704 18225 187 1 . 1 1 35 35 TYR N N 35 118.693 118.693 119.295 -0.602 18225 188 1 . 1 1 35 35 TYR HA H 35 4.093 4.093 4.232 -0.139 18225 189 1 . 1 1 35 35 TYR C C 35 177.885 177.885 176.924 0.961 18225 190 1 . 1 1 35 35 TYR CA C 35 61.638 61.638 61.049 0.589 18225 191 1 . 1 1 35 35 TYR CB C 35 37.924 37.924 38.823 -0.899 18225 192 1 . 1 1 35 35 TYR H H 35 8.347 8.347 7.873 0.474 18225 193 1 . 1 1 36 36 MET N N 36 117.356 117.356 118.863 -1.507 18225 194 1 . 1 1 36 36 MET HA H 36 4.220 4.220 4.119 0.101 18225 195 1 . 1 1 36 36 MET C C 36 177.903 177.903 177.587 0.316 18225 196 1 . 1 1 36 36 MET CA C 36 58.653 58.653 58.271 0.382 18225 197 1 . 1 1 36 36 MET CB C 36 32.172 32.172 32.859 -0.687 18225 198 1 . 1 1 36 36 MET H H 36 8.252 8.252 7.869 0.383 18225 199 1 . 1 1 37 37 LEU N N 37 119.978 119.978 118.998 0.980 18225 200 1 . 1 1 37 37 LEU HA H 37 4.028 4.028 4.140 -0.112 18225 201 1 . 1 1 37 37 LEU C C 37 178.393 178.393 177.480 0.913 18225 202 1 . 1 1 37 37 LEU CA C 37 58.642 58.642 56.566 2.076 18225 203 1 . 1 1 37 37 LEU CB C 37 41.989 41.989 40.995 0.994 18225 204 1 . 1 1 37 37 LEU H H 37 8.301 8.301 8.137 0.164 18225 205 1 . 1 1 38 38 VAL N N 38 117.991 117.991 116.799 1.192 18225 206 1 . 1 1 38 38 VAL HA H 38 3.502 3.502 4.017 -0.515 18225 207 1 . 1 1 38 38 VAL C C 38 177.962 177.962 176.339 1.623 18225 208 1 . 1 1 38 38 VAL CA C 38 67.155 67.155 63.690 3.465 18225 209 1 . 1 1 38 38 VAL CB C 38 31.415 31.415 32.767 -1.352 18225 210 1 . 1 1 38 38 VAL H H 38 8.414 8.414 7.686 0.728 18225 211 1 . 1 1 39 39 PHE N N 39 119.830 119.830 121.623 -1.793 18225 212 1 . 1 1 39 39 PHE HA H 39 4.178 4.178 4.241 -0.063 18225 213 1 . 1 1 39 39 PHE C C 39 178.233 178.233 175.748 2.485 18225 214 1 . 1 1 39 39 PHE CA C 39 61.503 61.503 60.901 0.602 18225 215 1 . 1 1 39 39 PHE CB C 39 39.058 39.058 39.970 -0.912 18225 216 1 . 1 1 39 39 PHE H H 39 8.337 8.337 7.689 0.648 18225 217 1 . 1 1 40 40 LEU N N 40 119.985 119.985 113.638 6.347 18225 218 1 . 1 1 40 40 LEU HA H 40 3.966 3.966 4.195 -0.229 18225 219 1 . 1 1 40 40 LEU C C 40 179.279 179.279 176.233 3.046 18225 220 1 . 1 1 40 40 LEU CA C 40 57.872 57.872 55.311 2.561 18225 221 1 . 1 1 40 40 LEU CB C 40 42.387 42.387 42.170 0.217 18225 222 1 . 1 1 40 40 LEU H H 40 8.603 8.603 7.386 1.217 18225 223 1 . 1 1 41 41 LEU N N 41 118.649 118.649 118.492 0.157 18225 224 1 . 1 1 41 41 LEU HA H 41 4.044 4.044 4.470 -0.426 18225 225 1 . 1 1 41 41 LEU C C 41 178.670 178.670 177.075 1.595 18225 226 1 . 1 1 41 41 LEU CA C 41 57.683 57.683 54.958 2.725 18225 227 1 . 1 1 41 41 LEU CB C 41 41.931 41.931 42.502 -0.571 18225 228 1 . 1 1 41 41 LEU H H 41 8.486 8.486 7.430 1.056 18225 229 1 . 1 1 42 42 GLY N N 42 105.262 105.262 107.836 -2.574 18225 230 1 . 1 1 42 42 GLY C C 42 174.814 174.814 174.605 0.209 18225 231 1 . 1 1 42 42 GLY CA C 42 46.405 46.405 46.306 0.099 18225 232 1 . 1 1 42 42 GLY H H 42 8.289 8.289 8.126 0.163 18225 233 1 . 1 1 43 43 THR N N 43 111.955 111.955 113.910 -1.955 18225 234 1 . 1 1 43 43 THR HA H 43 4.243 4.243 4.427 -0.184 18225 235 1 . 1 1 43 43 THR C C 43 175.888 175.888 175.662 0.226 18225 236 1 . 1 1 43 43 THR CA C 43 63.505 63.505 63.038 0.467 18225 237 1 . 1 1 43 43 THR CB C 43 69.598 69.598 69.512 0.086 18225 238 1 . 1 1 43 43 THR H H 43 7.891 7.891 7.645 0.246 18225 239 1 . 1 1 44 44 THR N N 44 111.997 111.997 118.249 -6.252 18225 240 1 . 1 1 44 44 THR HA H 44 4.320 4.320 4.017 0.303 18225 241 1 . 1 1 44 44 THR C C 44 175.543 175.543 175.896 -0.353 18225 242 1 . 1 1 44 44 THR CA C 44 63.009 63.009 65.556 -2.547 18225 243 1 . 1 1 44 44 THR CB C 44 69.881 69.881 68.726 1.155 18225 244 1 . 1 1 44 44 THR H H 44 7.740 7.740 7.830 -0.090 18225 245 1 . 1 1 45 45 GLY N N 45 109.564 109.564 108.773 0.791 18225 246 1 . 1 1 45 45 GLY C C 45 174.928 174.928 174.375 0.553 18225 247 1 . 1 1 45 45 GLY CA C 45 46.420 46.420 45.830 0.590 18225 248 1 . 1 1 45 45 GLY H H 45 8.243 8.243 8.331 -0.088 18225 249 1 . 1 1 46 46 ASN N N 46 117.851 117.851 117.857 -0.006 18225 250 1 . 1 1 46 46 ASN HA H 46 4.717 4.717 4.682 0.035 18225 251 1 . 1 1 46 46 ASN C C 46 176.127 176.127 175.118 1.009 18225 252 1 . 1 1 46 46 ASN CA C 46 54.614 54.614 53.195 1.419 18225 253 1 . 1 1 46 46 ASN CB C 46 39.311 39.311 39.096 0.215 18225 254 1 . 1 1 46 46 ASN H H 46 8.170 8.170 7.874 0.296 18225 255 1 . 1 1 47 47 GLY N N 47 108.287 108.287 108.688 -0.401 18225 256 1 . 1 1 47 47 GLY C C 47 174.612 174.612 174.286 0.326 18225 257 1 . 1 1 47 47 GLY CA C 47 47.241 47.241 45.417 1.824 18225 258 1 . 1 1 47 47 GLY H H 47 8.663 8.663 8.310 0.353 18225 259 1 . 1 1 48 48 LEU N N 48 120.479 120.479 120.347 0.132 18225 260 1 . 1 1 48 48 LEU HA H 48 4.268 4.268 4.671 -0.403 18225 261 1 . 1 1 48 48 LEU C C 48 179.407 179.407 177.568 1.839 18225 262 1 . 1 1 48 48 LEU CA C 48 57.592 57.592 55.872 1.720 18225 263 1 . 1 1 48 48 LEU CB C 48 41.738 41.738 42.388 -0.650 18225 264 1 . 1 1 48 48 LEU H H 48 8.149 8.149 7.927 0.222 18225 265 1 . 1 1 49 49 VAL N N 49 119.968 119.968 117.632 2.336 18225 266 1 . 1 1 49 49 VAL HA H 49 3.816 3.816 4.011 -0.195 18225 267 1 . 1 1 49 49 VAL C C 49 177.444 177.444 176.163 1.281 18225 268 1 . 1 1 49 49 VAL CA C 49 65.943 65.943 64.325 1.618 18225 269 1 . 1 1 49 49 VAL CB C 49 31.678 31.678 31.688 -0.010 18225 270 1 . 1 1 49 49 VAL H H 49 7.969 7.969 7.909 0.060 18225 271 1 . 1 1 50 50 LEU N N 50 119.329 119.329 115.782 3.547 18225 272 1 . 1 1 50 50 LEU HA H 50 4.012 4.012 4.676 -0.664 18225 273 1 . 1 1 50 50 LEU C C 50 178.085 178.085 176.983 1.102 18225 274 1 . 1 1 50 50 LEU CA C 50 57.917 57.917 55.482 2.435 18225 275 1 . 1 1 50 50 LEU CB C 50 41.706 41.706 41.986 -0.279 18225 276 1 . 1 1 50 50 LEU H H 50 7.814 7.814 7.692 0.122 18225 277 1 . 1 1 51 51 TRP N N 51 118.186 118.186 122.666 -4.480 18225 278 1 . 1 1 51 51 TRP HA H 51 4.489 4.489 4.712 -0.223 18225 279 1 . 1 1 51 51 TRP C C 51 177.377 177.377 177.687 -0.310 18225 280 1 . 1 1 51 51 TRP CA C 51 60.058 60.058 59.599 0.459 18225 281 1 . 1 1 51 51 TRP CB C 51 29.781 29.781 30.049 -0.268 18225 282 1 . 1 1 51 51 TRP H H 51 8.125 8.125 7.857 0.268 18225 283 1 . 1 1 52 52 THR N N 52 113.180 113.180 115.084 -1.904 18225 284 1 . 1 1 52 52 THR HA H 52 3.787 3.787 3.062 0.725 18225 285 1 . 1 1 52 52 THR C C 52 176.309 176.309 176.278 0.031 18225 286 1 . 1 1 52 52 THR CA C 52 66.473 66.473 65.030 1.443 18225 287 1 . 1 1 52 52 THR CB C 52 68.865 68.865 67.889 0.976 18225 288 1 . 1 1 52 52 THR H H 52 8.079 8.079 7.842 0.237 18225 289 1 . 1 1 53 53 VAL N N 53 119.953 119.953 120.479 -0.526 18225 290 1 . 1 1 53 53 VAL HA H 53 3.648 3.648 3.682 -0.034 18225 291 1 . 1 1 53 53 VAL C C 53 177.252 177.252 177.147 0.105 18225 292 1 . 1 1 53 53 VAL CA C 53 66.086 66.086 65.436 0.650 18225 293 1 . 1 1 53 53 VAL CB C 53 31.704 31.704 31.525 0.179 18225 294 1 . 1 1 53 53 VAL H H 53 7.913 7.913 7.788 0.125 18225 295 1 . 1 1 54 54 PHE N N 54 118.204 118.204 118.963 -0.759 18225 296 1 . 1 1 54 54 PHE HA H 54 4.247 4.247 4.270 -0.023 18225 297 1 . 1 1 54 54 PHE C C 54 177.144 177.144 176.241 0.903 18225 298 1 . 1 1 54 54 PHE CA C 54 60.454 60.454 60.268 0.186 18225 299 1 . 1 1 54 54 PHE CB C 54 39.116 39.116 38.930 0.186 18225 300 1 . 1 1 54 54 PHE H H 54 8.030 8.030 8.048 -0.018 18225 301 1 . 1 1 55 55 ARG N N 55 117.725 117.725 117.250 0.475 18225 302 1 . 1 1 55 55 ARG HA H 55 3.884 3.884 4.272 -0.388 18225 303 1 . 1 1 55 55 ARG C C 55 177.443 177.443 177.121 0.322 18225 304 1 . 1 1 55 55 ARG CA C 55 57.554 57.554 57.033 0.521 18225 305 1 . 1 1 55 55 ARG CB C 55 29.807 29.807 30.425 -0.618 18225 306 1 . 1 1 55 55 ARG H H 55 8.034 8.034 7.771 0.263 18225 307 1 . 1 1 56 56 LYS N N 56 118.622 118.622 119.558 -0.936 18225 308 1 . 1 1 56 56 LYS HA H 56 4.164 4.164 4.158 0.006 18225 309 1 . 1 1 56 56 LYS C C 56 177.418 177.418 177.566 -0.148 18225 310 1 . 1 1 56 56 LYS CA C 56 57.517 57.517 57.302 0.215 18225 311 1 . 1 1 56 56 LYS CB C 56 32.808 32.808 32.320 0.488 18225 312 1 . 1 1 56 56 LYS H H 56 7.804 7.804 7.763 0.041 18225 313 1 . 1 1 57 57 LYS N N 57 118.937 118.937 118.934 0.003 18225 314 1 . 1 1 57 57 LYS HA H 57 4.258 4.258 4.022 0.236 18225 315 1 . 1 1 57 57 LYS C C 57 177.029 177.029 177.399 -0.370 18225 316 1 . 1 1 57 57 LYS CA C 57 56.610 56.610 57.553 -0.944 18225 317 1 . 1 1 57 57 LYS CB C 57 32.878 32.878 31.840 1.038 18225 318 1 . 1 1 57 57 LYS H H 57 7.974 7.974 7.718 0.256 18225 319 1 . 1 1 58 58 GLY N N 58 107.785 107.785 107.411 0.374 18225 320 1 . 1 1 58 58 GLY C C 58 173.543 173.543 174.202 -0.659 18225 321 1 . 1 1 58 58 GLY CA C 58 45.473 45.473 45.437 0.036 18225 322 1 . 1 1 58 58 GLY H H 58 8.136 8.136 8.075 0.061 18225 323 1 . 1 1 59 59 HIS N N 59 117.024 117.024 117.363 -0.339 18225 324 1 . 1 1 59 59 HIS HA H 59 4.622 4.622 4.469 0.153 18225 325 1 . 1 1 59 59 HIS C C 59 174.183 174.183 174.505 -0.322 18225 326 1 . 1 1 59 59 HIS CA C 59 55.281 55.281 55.945 -0.664 18225 327 1 . 1 1 59 59 HIS CB C 59 29.081 29.081 29.869 -0.788 18225 328 1 . 1 1 59 59 HIS H H 59 8.163 8.163 8.083 0.080 18225 329 1 . 1 1 60 60 HIS N N 60 118.841 118.841 119.031 -0.190 18225 330 1 . 1 1 60 60 HIS HA H 60 4.630 4.630 4.544 0.086 18225 331 1 . 1 1 60 60 HIS C C 60 174.157 174.157 174.167 -0.010 18225 332 1 . 1 1 60 60 HIS CA C 60 55.340 55.340 56.241 -0.901 18225 333 1 . 1 1 60 60 HIS CB C 60 29.104 29.104 30.530 -1.426 18225 334 1 . 1 1 60 60 HIS H H 60 8.507 8.507 8.252 0.255 18225 335 1 . 1 1 61 61 HIS N N 61 119.636 119.636 119.844 -0.208 18225 336 1 . 1 1 61 61 HIS HA H 61 4.654 4.654 4.464 0.190 18225 337 1 . 1 1 61 61 HIS C C 61 174.095 174.095 174.804 -0.709 18225 338 1 . 1 1 61 61 HIS CA C 61 55.329 55.329 56.343 -1.014 18225 339 1 . 1 1 61 61 HIS CB C 61 29.234 29.234 30.475 -1.241 18225 340 1 . 1 1 61 61 HIS H H 61 8.613 8.613 8.405 0.208 18225 341 1 . 1 1 62 62 HIS N N 62 120.286 120.286 120.286 0.000 18225 342 1 . 1 1 62 62 HIS HA H 62 4.660 4.660 4.535 0.125 18225 343 1 . 1 1 62 62 HIS C C 62 173.928 173.928 174.264 -0.336 18225 344 1 . 1 1 62 62 HIS CA C 62 55.356 55.356 56.306 -0.950 18225 345 1 . 1 1 62 62 HIS CB C 62 29.329 29.329 30.392 -1.063 18225 346 1 . 1 1 62 62 HIS H H 62 8.680 8.680 8.461 0.219 18225 347 1 . 1 1 63 63 HIS N N 63 120.408 120.408 118.958 1.450 18225 348 1 . 1 1 63 63 HIS HA H 63 4.649 4.649 4.578 0.071 18225 349 1 . 1 1 63 63 HIS C C 63 173.437 173.437 174.263 -0.826 18225 350 1 . 1 1 63 63 HIS CA C 63 55.564 55.564 55.710 -0.146 18225 351 1 . 1 1 63 63 HIS CB C 63 29.483 29.483 29.291 0.192 18225 352 1 . 1 1 63 63 HIS H H 63 8.541 8.541 8.453 0.088 18225 stop_ save_