data_19568 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19568 _Entry.PDB_ID 2MFR 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 19568 _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 THR N N 2 113.734 113.734 115.322 -1.588 19568 2 1 1 . 1 1 2 2 THR HA H 2 4.076 4.076 4.308 -0.232 19568 3 1 1 . 1 1 2 2 THR C C 2 174.729 174.729 175.559 -0.830 19568 4 1 1 . 1 1 2 2 THR CA C 2 63.234 63.234 63.766 -0.532 19568 5 1 1 . 1 1 2 2 THR CB C 2 69.247 69.247 68.555 0.692 19568 6 1 1 . 1 1 2 2 THR H H 2 8.100 8.100 8.129 -0.029 19568 7 1 1 . 1 1 3 3 TYR N N 3 119.785 119.785 120.148 -0.363 19568 8 1 1 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.196 0.043 19568 9 1 1 . 1 1 3 3 TYR C C 3 175.468 175.468 177.574 -2.106 19568 10 1 1 . 1 1 3 3 TYR CA C 3 59.361 59.361 60.253 -0.892 19568 11 1 1 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.448 1.088 19568 12 1 1 . 1 1 3 3 TYR H H 3 7.911 7.911 7.966 -0.055 19568 13 1 1 . 1 1 4 4 PHE N N 4 117.223 117.223 120.018 -2.795 19568 14 1 1 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.051 0.389 19568 15 1 1 . 1 1 4 4 PHE C C 4 174.872 174.872 177.377 -2.505 19568 16 1 1 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.570 -2.977 19568 17 1 1 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.982 0.238 19568 18 1 1 . 1 1 4 4 PHE H H 4 7.634 7.634 7.860 -0.226 19568 19 1 1 . 1 1 5 5 TYR N N 5 118.715 118.715 119.246 -0.531 19568 20 1 1 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.444 0.095 19568 21 1 1 . 1 1 5 5 TYR C C 5 176.539 176.539 177.772 -1.233 19568 22 1 1 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.564 -2.796 19568 23 1 1 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.564 -0.297 19568 24 1 1 . 1 1 5 5 TYR H H 5 7.877 7.877 8.156 -0.279 19568 25 1 1 . 1 1 6 6 VAL N N 6 118.275 118.275 117.546 0.729 19568 26 1 1 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.813 0.121 19568 27 1 1 . 1 1 6 6 VAL C C 6 176.487 176.487 177.665 -1.178 19568 28 1 1 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.647 -1.185 19568 29 1 1 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.794 0.189 19568 30 1 1 . 1 1 6 6 VAL H H 6 7.930 7.930 7.539 0.391 19568 31 1 1 . 1 1 7 7 THR N N 7 111.175 111.175 113.593 -2.418 19568 32 1 1 . 1 1 7 7 THR HA H 7 4.212 4.212 4.297 -0.085 19568 33 1 1 . 1 1 7 7 THR C C 7 175.536 175.536 175.513 0.023 19568 34 1 1 . 1 1 7 7 THR CA C 7 64.289 64.289 65.384 -1.095 19568 35 1 1 . 1 1 7 7 THR CB C 7 68.479 68.479 68.531 -0.052 19568 36 1 1 . 1 1 7 7 THR H H 7 7.814 7.814 7.976 -0.162 19568 37 1 1 . 1 1 8 8 ASP N N 8 121.151 121.151 122.383 -1.232 19568 38 1 1 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.313 0.133 19568 39 1 1 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.557 -0.540 19568 40 1 1 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.268 0.427 19568 41 1 1 . 1 1 8 8 ASP H H 8 8.006 8.006 7.658 0.348 19568 42 1 1 . 1 1 9 9 TYR N N 9 117.806 117.806 119.141 -1.335 19568 43 1 1 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.353 -0.012 19568 44 1 1 . 1 1 9 9 TYR C C 9 176.025 176.025 175.878 0.147 19568 45 1 1 . 1 1 9 9 TYR CA C 9 59.525 59.525 59.975 -0.450 19568 46 1 1 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.784 0.549 19568 47 1 1 . 1 1 9 9 TYR H H 9 7.726 7.726 7.511 0.215 19568 48 1 1 . 1 1 10 10 LEU N N 10 116.985 116.985 118.917 -1.932 19568 49 1 1 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.433 -0.156 19568 50 1 1 . 1 1 10 10 LEU C C 10 175.391 175.391 175.392 -0.001 19568 51 1 1 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.171 0.522 19568 52 1 1 . 1 1 10 10 LEU CB C 10 43.009 43.009 42.715 0.294 19568 53 1 1 . 1 1 10 10 LEU H H 10 7.514 7.514 7.159 0.355 19568 54 1 1 . 1 1 11 11 ASP N N 11 120.049 120.049 121.428 -1.379 19568 55 1 1 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.722 -0.206 19568 56 1 1 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.678 0.199 19568 57 1 1 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.258 -2.647 19568 58 1 1 . 1 1 11 11 ASP H H 11 7.978 7.978 7.321 0.657 19568 59 1 1 . 1 1 12 12 VAL N N 12 118.837 118.837 121.224 -2.387 19568 60 1 1 . 1 1 12 12 VAL CA C 12 59.819 59.819 57.842 1.977 19568 61 1 1 . 1 1 12 12 VAL H H 12 7.780 7.780 8.076 -0.296 19568 62 1 1 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.454 -0.374 19568 63 1 1 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.702 0.672 19568 64 1 1 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.653 -0.688 19568 65 1 1 . 1 1 14 14 SER N N 14 117.102 117.102 115.761 1.341 19568 66 1 1 . 1 1 14 14 SER HA H 14 4.080 4.080 4.039 0.041 19568 67 1 1 . 1 1 14 14 SER CA C 14 61.149 61.149 60.681 0.468 19568 68 1 1 . 1 1 14 14 SER H H 14 8.631 8.631 8.670 -0.039 19568 69 1 1 . 1 1 15 15 ASN N N 15 118.240 118.240 119.842 -1.602 19568 70 1 1 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.450 0.054 19568 71 1 1 . 1 1 15 15 ASN C C 15 176.447 176.447 177.366 -0.919 19568 72 1 1 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.791 -0.382 19568 73 1 1 . 1 1 15 15 ASN CB C 15 37.458 37.458 37.626 -0.168 19568 74 1 1 . 1 1 15 15 ASN H H 15 8.500 8.500 8.415 0.085 19568 75 1 1 . 1 1 16 16 ILE N N 16 118.674 118.674 119.207 -0.533 19568 76 1 1 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.957 0.028 19568 77 1 1 . 1 1 16 16 ILE C C 16 176.784 176.784 177.068 -0.284 19568 78 1 1 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.098 -0.760 19568 79 1 1 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.044 0.601 19568 80 1 1 . 1 1 16 16 ILE H H 16 7.499 7.499 8.291 -0.792 19568 81 1 1 . 1 1 17 17 ALA N N 17 123.146 123.146 122.910 0.236 19568 82 1 1 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.100 -0.194 19568 83 1 1 . 1 1 17 17 ALA C C 17 178.295 178.295 179.514 -1.219 19568 84 1 1 . 1 1 17 17 ALA CA C 17 55.267 55.267 55.042 0.225 19568 85 1 1 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.450 0.088 19568 86 1 1 . 1 1 17 17 ALA H H 17 8.154 8.154 8.067 0.087 19568 87 1 1 . 1 1 18 18 LYS N N 18 113.996 113.996 118.883 -4.887 19568 88 1 1 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.273 -0.324 19568 89 1 1 . 1 1 18 18 LYS C C 18 177.195 177.195 178.021 -0.826 19568 90 1 1 . 1 1 18 18 LYS CA C 18 59.407 59.407 57.835 1.572 19568 91 1 1 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.615 0.171 19568 92 1 1 . 1 1 18 18 LYS H H 18 7.867 7.867 7.543 0.324 19568 93 1 1 . 1 1 19 19 ILE N N 19 115.051 115.051 119.441 -4.390 19568 94 1 1 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.815 0.235 19568 95 1 1 . 1 1 19 19 ILE C C 19 175.727 175.727 177.178 -1.451 19568 96 1 1 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.168 -1.256 19568 97 1 1 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.163 0.549 19568 98 1 1 . 1 1 19 19 ILE H H 19 7.395 7.395 7.704 -0.309 19568 99 1 1 . 1 1 20 20 ILE N N 20 113.857 113.857 119.857 -6.000 19568 100 1 1 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.530 -1.107 19568 101 1 1 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.354 0.518 19568 102 1 1 . 1 1 20 20 ILE H H 20 7.468 7.468 7.562 -0.094 19568 103 1 1 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.090 -0.227 19568 104 1 1 . 1 1 21 21 ILE C C 21 176.210 176.210 177.565 -1.355 19568 105 1 1 . 1 1 21 21 ILE CA C 21 64.096 64.096 63.047 1.049 19568 106 1 1 . 1 1 22 22 GLY N N 22 106.975 106.975 109.448 -2.473 19568 107 1 1 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.413 -0.174 19568 108 1 1 . 1 1 22 22 GLY H H 22 8.473 8.473 8.098 0.375 19568 109 1 1 . 1 1 23 23 PRO C C 23 177.086 177.086 178.065 -0.979 19568 110 1 1 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.301 0.576 19568 111 1 1 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.290 0.772 19568 112 1 1 . 1 1 24 24 LEU N N 24 115.805 115.805 118.327 -2.522 19568 113 1 1 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.138 -0.051 19568 114 1 1 . 1 1 24 24 LEU C C 24 178.191 178.191 178.631 -0.440 19568 115 1 1 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.370 1.112 19568 116 1 1 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.173 -0.207 19568 117 1 1 . 1 1 24 24 LEU H H 24 7.855 7.855 7.870 -0.015 19568 118 1 1 . 1 1 25 25 ILE N N 25 118.715 118.715 120.822 -2.107 19568 119 1 1 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.660 0.063 19568 120 1 1 . 1 1 25 25 ILE C C 25 177.615 177.615 178.359 -0.744 19568 121 1 1 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.612 -0.222 19568 122 1 1 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.905 -0.837 19568 123 1 1 . 1 1 25 25 ILE H H 25 8.373 8.373 8.128 0.245 19568 124 1 1 . 1 1 26 26 PHE N N 26 118.782 118.782 118.038 0.744 19568 125 1 1 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.255 -0.273 19568 126 1 1 . 1 1 26 26 PHE CA C 26 62.503 62.503 61.320 1.183 19568 127 1 1 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.061 1.008 19568 128 1 1 . 1 1 26 26 PHE H H 26 8.191 8.191 7.908 0.283 19568 129 1 1 . 1 1 27 27 VAL N N 27 118.263 118.263 119.691 -1.428 19568 130 1 1 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.568 -0.106 19568 131 1 1 . 1 1 27 27 VAL C C 27 178.431 178.431 177.816 0.615 19568 132 1 1 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.039 1.201 19568 133 1 1 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.587 -0.481 19568 134 1 1 . 1 1 27 27 VAL H H 27 8.530 8.530 7.761 0.769 19568 135 1 1 . 1 1 28 28 PHE N N 28 122.020 122.020 121.364 0.656 19568 136 1 1 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.280 -0.115 19568 137 1 1 . 1 1 28 28 PHE C C 28 176.323 176.323 177.089 -0.766 19568 138 1 1 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.260 -0.522 19568 139 1 1 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.536 -0.354 19568 140 1 1 . 1 1 28 28 PHE H H 28 8.572 8.572 8.552 0.020 19568 141 1 1 . 1 1 29 29 LEU N N 29 118.508 118.508 119.859 -1.351 19568 142 1 1 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.965 -0.253 19568 143 1 1 . 1 1 29 29 LEU C C 29 178.103 178.103 179.073 -0.970 19568 144 1 1 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.976 0.195 19568 145 1 1 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.755 0.240 19568 146 1 1 . 1 1 29 29 LEU H H 29 8.631 8.631 7.943 0.688 19568 147 1 1 . 1 1 30 30 PHE N N 30 117.713 117.713 118.973 -1.260 19568 148 1 1 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.172 -0.313 19568 149 1 1 . 1 1 30 30 PHE CA C 30 61.654 61.654 60.219 1.435 19568 150 1 1 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.431 0.424 19568 151 1 1 . 1 1 30 30 PHE H H 30 8.701 8.701 7.944 0.757 19568 152 1 1 . 1 1 31 31 SER N N 31 115.131 115.131 115.733 -0.602 19568 153 1 1 . 1 1 31 31 SER HA H 31 3.933 3.933 4.139 -0.206 19568 154 1 1 . 1 1 31 31 SER C C 31 175.646 175.646 176.701 -1.055 19568 155 1 1 . 1 1 31 31 SER CA C 31 63.631 63.631 61.868 1.763 19568 156 1 1 . 1 1 31 31 SER CB C 31 62.767 62.767 63.035 -0.268 19568 157 1 1 . 1 1 31 31 SER H H 31 8.137 8.137 8.079 0.058 19568 158 1 1 . 1 1 32 32 VAL N N 32 120.892 120.892 122.089 -1.197 19568 159 1 1 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.561 -0.100 19568 160 1 1 . 1 1 32 32 VAL C C 32 178.552 178.552 177.407 1.145 19568 161 1 1 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.297 0.100 19568 162 1 1 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.365 -0.013 19568 163 1 1 . 1 1 32 32 VAL H H 32 7.820 7.820 7.832 -0.012 19568 164 1 1 . 1 1 33 33 VAL N N 33 121.892 121.892 120.501 1.391 19568 165 1 1 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.762 -0.359 19568 166 1 1 . 1 1 33 33 VAL C C 33 177.129 177.129 178.448 -1.319 19568 167 1 1 . 1 1 33 33 VAL CA C 33 67.702 67.702 65.356 2.346 19568 168 1 1 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.371 0.034 19568 169 1 1 . 1 1 33 33 VAL H H 33 8.061 8.061 7.356 0.705 19568 170 1 1 . 1 1 34 34 ILE N N 34 117.742 117.742 119.079 -1.337 19568 171 1 1 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.772 -0.206 19568 172 1 1 . 1 1 34 34 ILE C C 34 178.041 178.041 178.263 -0.222 19568 173 1 1 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.827 -0.487 19568 174 1 1 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.924 -0.495 19568 175 1 1 . 1 1 34 34 ILE H H 34 8.285 8.285 7.802 0.483 19568 176 1 1 . 1 1 35 35 GLY N N 35 107.221 107.221 108.728 -1.507 19568 177 1 1 . 1 1 35 35 GLY C C 35 174.842 174.842 176.104 -1.262 19568 178 1 1 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.123 0.573 19568 179 1 1 . 1 1 35 35 GLY H H 35 8.676 8.676 7.815 0.861 19568 180 1 1 . 1 1 36 36 SER N N 36 117.895 117.895 117.704 0.191 19568 181 1 1 . 1 1 36 36 SER HA H 36 4.080 4.080 4.294 -0.214 19568 182 1 1 . 1 1 36 36 SER C C 36 175.749 175.749 176.889 -1.140 19568 183 1 1 . 1 1 36 36 SER CA C 36 63.895 63.895 61.538 2.357 19568 184 1 1 . 1 1 36 36 SER CB C 36 63.038 63.038 63.056 -0.018 19568 185 1 1 . 1 1 36 36 SER H H 36 8.185 8.185 7.771 0.414 19568 186 1 1 . 1 1 37 37 ILE N N 37 122.412 122.412 122.735 -0.323 19568 187 1 1 . 1 1 37 37 ILE HA H 37 3.650 3.650 4.015 -0.365 19568 188 1 1 . 1 1 37 37 ILE C C 37 177.436 177.436 178.104 -0.668 19568 189 1 1 . 1 1 37 37 ILE CA C 37 66.079 66.079 63.047 3.032 19568 190 1 1 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.063 0.884 19568 191 1 1 . 1 1 37 37 ILE H H 37 7.971 7.971 8.072 -0.101 19568 192 1 1 . 1 1 38 38 TYR N N 38 119.517 119.517 120.368 -0.851 19568 193 1 1 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.141 0.026 19568 194 1 1 . 1 1 38 38 TYR C C 38 176.818 176.818 178.642 -1.824 19568 195 1 1 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.066 0.386 19568 196 1 1 . 1 1 38 38 TYR CB C 38 38.266 38.266 37.948 0.318 19568 197 1 1 . 1 1 38 38 TYR H H 38 8.450 8.450 7.874 0.576 19568 198 1 1 . 1 1 39 39 LEU N N 39 117.459 117.459 120.453 -2.994 19568 199 1 1 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.863 -0.166 19568 200 1 1 . 1 1 39 39 LEU C C 39 178.873 178.873 178.952 -0.079 19568 201 1 1 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.086 -0.156 19568 202 1 1 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.737 0.424 19568 203 1 1 . 1 1 39 39 LEU H H 39 8.369 8.369 7.799 0.570 19568 204 1 1 . 1 1 40 40 PHE N N 40 118.068 118.068 117.302 0.766 19568 205 1 1 . 1 1 40 40 PHE C C 40 177.002 177.002 177.840 -0.838 19568 206 1 1 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.174 0.035 19568 207 1 1 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.621 -3.054 19568 208 1 1 . 1 1 40 40 PHE H H 40 8.317 8.317 7.957 0.360 19568 209 1 1 . 1 1 41 41 LEU N N 41 117.738 117.738 120.016 -2.278 19568 210 1 1 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.087 -0.106 19568 211 1 1 . 1 1 41 41 LEU C C 41 177.917 177.917 177.516 0.401 19568 212 1 1 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.385 0.356 19568 213 1 1 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.663 0.691 19568 214 1 1 . 1 1 41 41 LEU H H 41 8.309 8.309 7.969 0.340 19568 215 1 1 . 1 1 42 42 ARG N N 42 118.199 118.199 117.599 0.600 19568 216 1 1 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.324 -0.313 19568 217 1 1 . 1 1 42 42 ARG CA C 42 57.096 57.096 56.000 1.096 19568 218 1 1 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.473 -0.598 19568 219 1 1 . 1 1 42 42 ARG H H 42 7.957 7.957 7.635 0.322 19568 220 1 1 . 1 1 43 43 LYS N N 43 119.027 119.027 118.549 0.478 19568 221 1 1 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.181 -0.007 19568 222 1 1 . 1 1 43 43 LYS C C 43 176.558 176.558 175.531 1.027 19568 223 1 1 . 1 1 43 43 LYS CA C 43 56.430 56.430 57.079 -0.649 19568 224 1 1 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.476 0.100 19568 225 1 1 . 1 1 43 43 LYS H H 43 7.799 7.799 7.476 0.323 19568 226 1 1 . 1 1 44 44 ARG N N 44 120.558 120.558 119.103 1.455 19568 227 1 1 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.538 -0.366 19568 228 1 1 . 1 1 44 44 ARG C C 44 175.813 175.813 175.356 0.457 19568 229 1 1 . 1 1 44 44 ARG CA C 44 56.216 56.216 54.964 1.252 19568 230 1 1 . 1 1 44 44 ARG CB C 44 30.658 30.658 31.163 -0.504 19568 231 1 1 . 1 1 44 44 ARG H H 44 7.727 7.727 7.640 0.087 19568 232 1 1 . 1 1 45 45 GLN N N 45 122.179 122.179 122.900 -0.721 19568 233 1 1 . 1 1 45 45 GLN C C 45 173.795 173.795 175.215 -1.420 19568 234 1 1 . 1 1 45 45 GLN CA C 45 53.615 53.615 53.406 0.209 19568 235 1 1 . 1 1 45 45 GLN CB C 45 29.002 29.002 27.940 1.062 19568 236 1 1 . 1 1 45 45 GLN H H 45 8.141 8.141 8.416 -0.275 19568 237 1 1 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.511 -0.129 19568 238 1 1 . 1 1 46 46 PRO C C 46 176.477 176.477 176.169 0.308 19568 239 1 1 . 1 1 46 46 PRO CA C 46 63.247 63.247 62.880 0.367 19568 240 1 1 . 1 1 46 46 PRO CB C 46 32.072 32.072 30.625 1.447 19568 241 1 1 . 1 1 47 47 ASP N N 47 120.424 120.424 125.177 -4.753 19568 242 1 1 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.547 0.039 19568 243 1 1 . 1 1 47 47 ASP C C 47 176.316 176.316 176.905 -0.589 19568 244 1 1 . 1 1 47 47 ASP CA C 47 54.356 54.356 54.568 -0.212 19568 245 1 1 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.238 2.309 19568 246 1 1 . 1 1 47 47 ASP H H 47 8.333 8.333 8.307 0.026 19568 247 1 1 . 1 1 48 48 GLY N N 48 108.892 108.892 108.584 0.308 19568 248 1 1 . 1 1 48 48 GLY C C 48 171.778 171.778 172.471 -0.693 19568 249 1 1 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.184 0.446 19568 250 1 1 . 1 1 48 48 GLY H H 48 8.063 8.063 7.903 0.160 19568 251 1 1 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.249 0.122 19568 252 1 1 . 1 1 49 49 PRO C C 49 177.077 177.077 176.045 1.032 19568 253 1 1 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.721 -0.486 19568 254 1 1 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.184 0.964 19568 255 1 1 . 1 1 50 50 LEU N N 50 121.757 121.757 122.409 -0.652 19568 256 1 1 . 1 1 50 50 LEU HA H 50 4.245 4.245 3.921 0.324 19568 257 1 1 . 1 1 50 50 LEU C C 50 177.320 177.320 177.213 0.107 19568 258 1 1 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.544 -0.280 19568 259 1 1 . 1 1 50 50 LEU CB C 50 42.248 42.248 42.158 0.090 19568 260 1 1 . 1 1 50 50 LEU H H 50 8.263 8.263 7.986 0.277 19568 261 1 1 . 1 1 51 51 GLU N N 51 121.007 121.007 120.086 0.921 19568 262 1 1 . 1 1 51 51 GLU CA C 51 56.531 56.531 56.225 0.306 19568 263 1 1 . 1 1 51 51 GLU CB C 51 30.370 30.370 30.153 0.217 19568 264 1 1 . 1 1 51 51 GLU H H 51 8.166 8.166 8.206 -0.040 19568 265 1 2 . 1 1 2 2 THR N N 2 113.734 113.734 113.212 0.522 19568 266 1 2 . 1 1 2 2 THR HA H 2 4.076 4.076 4.342 -0.266 19568 267 1 2 . 1 1 2 2 THR C C 2 174.729 174.729 174.992 -0.263 19568 268 1 2 . 1 1 2 2 THR CA C 2 63.234 63.234 61.888 1.346 19568 269 1 2 . 1 1 2 2 THR CB C 2 69.247 69.247 69.218 0.029 19568 270 1 2 . 1 1 2 2 THR H H 2 8.100 8.100 7.816 0.284 19568 271 1 2 . 1 1 3 3 TYR N N 3 119.785 119.785 118.957 0.828 19568 272 1 2 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.763 -0.524 19568 273 1 2 . 1 1 3 3 TYR C C 3 175.468 175.468 177.110 -1.642 19568 274 1 2 . 1 1 3 3 TYR CA C 3 59.361 59.361 56.667 2.693 19568 275 1 2 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.158 1.378 19568 276 1 2 . 1 1 3 3 TYR H H 3 7.911 7.911 7.194 0.717 19568 277 1 2 . 1 1 4 4 PHE N N 4 117.223 117.223 120.646 -3.423 19568 278 1 2 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.161 0.279 19568 279 1 2 . 1 1 4 4 PHE C C 4 174.872 174.872 176.979 -2.107 19568 280 1 2 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.136 -2.543 19568 281 1 2 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.577 0.643 19568 282 1 2 . 1 1 4 4 PHE H H 4 7.634 7.634 7.920 -0.286 19568 283 1 2 . 1 1 5 5 TYR N N 5 118.715 118.715 117.456 1.259 19568 284 1 2 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.365 0.174 19568 285 1 2 . 1 1 5 5 TYR C C 5 176.539 176.539 176.808 -0.269 19568 286 1 2 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.138 -2.370 19568 287 1 2 . 1 1 5 5 TYR CB C 5 38.267 38.267 39.098 -0.831 19568 288 1 2 . 1 1 5 5 TYR H H 5 7.877 7.877 8.020 -0.143 19568 289 1 2 . 1 1 6 6 VAL N N 6 118.275 118.275 118.763 -0.488 19568 290 1 2 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.968 -0.034 19568 291 1 2 . 1 1 6 6 VAL C C 6 176.487 176.487 177.307 -0.820 19568 292 1 2 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.067 -0.605 19568 293 1 2 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.488 0.495 19568 294 1 2 . 1 1 6 6 VAL H H 6 7.930 7.930 8.240 -0.310 19568 295 1 2 . 1 1 7 7 THR N N 7 111.175 111.175 115.512 -4.337 19568 296 1 2 . 1 1 7 7 THR HA H 7 4.212 4.212 4.416 -0.204 19568 297 1 2 . 1 1 7 7 THR C C 7 175.536 175.536 175.810 -0.274 19568 298 1 2 . 1 1 7 7 THR CA C 7 64.289 64.289 65.469 -1.181 19568 299 1 2 . 1 1 7 7 THR CB C 7 68.479 68.479 69.256 -0.777 19568 300 1 2 . 1 1 7 7 THR H H 7 7.814 7.814 8.469 -0.655 19568 301 1 2 . 1 1 8 8 ASP N N 8 121.151 121.151 122.728 -1.577 19568 302 1 2 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.286 0.160 19568 303 1 2 . 1 1 8 8 ASP CA C 8 56.017 56.017 55.957 0.060 19568 304 1 2 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.363 0.332 19568 305 1 2 . 1 1 8 8 ASP H H 8 8.006 8.006 7.776 0.230 19568 306 1 2 . 1 1 9 9 TYR N N 9 117.806 117.806 121.160 -3.354 19568 307 1 2 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.088 0.253 19568 308 1 2 . 1 1 9 9 TYR C C 9 176.025 176.025 176.013 0.012 19568 309 1 2 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.676 -1.151 19568 310 1 2 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.368 0.965 19568 311 1 2 . 1 1 9 9 TYR H H 9 7.726 7.726 7.574 0.152 19568 312 1 2 . 1 1 10 10 LEU N N 10 116.985 116.985 117.549 -0.564 19568 313 1 2 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.191 0.086 19568 314 1 2 . 1 1 10 10 LEU C C 10 175.391 175.391 175.320 0.071 19568 315 1 2 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.311 0.382 19568 316 1 2 . 1 1 10 10 LEU CB C 10 43.009 43.009 43.350 -0.341 19568 317 1 2 . 1 1 10 10 LEU H H 10 7.514 7.514 7.271 0.243 19568 318 1 2 . 1 1 11 11 ASP N N 11 120.049 120.049 121.032 -0.983 19568 319 1 2 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.773 -0.257 19568 320 1 2 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.154 0.723 19568 321 1 2 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.960 -3.350 19568 322 1 2 . 1 1 11 11 ASP H H 11 7.978 7.978 7.877 0.101 19568 323 1 2 . 1 1 12 12 VAL N N 12 118.837 118.837 120.433 -1.596 19568 324 1 2 . 1 1 12 12 VAL CA C 12 59.819 59.819 58.254 1.565 19568 325 1 2 . 1 1 12 12 VAL H H 12 7.780 7.780 7.975 -0.195 19568 326 1 2 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.627 -0.547 19568 327 1 2 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.473 0.900 19568 328 1 2 . 1 1 13 13 PRO CB C 13 31.965 31.965 33.122 -1.157 19568 329 1 2 . 1 1 14 14 SER N N 14 117.102 117.102 117.485 -0.383 19568 330 1 2 . 1 1 14 14 SER HA H 14 4.080 4.080 4.010 0.070 19568 331 1 2 . 1 1 14 14 SER CA C 14 61.149 61.149 60.778 0.371 19568 332 1 2 . 1 1 14 14 SER H H 14 8.631 8.631 8.947 -0.316 19568 333 1 2 . 1 1 15 15 ASN N N 15 118.240 118.240 119.206 -0.966 19568 334 1 2 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.452 0.052 19568 335 1 2 . 1 1 15 15 ASN C C 15 176.447 176.447 177.356 -0.909 19568 336 1 2 . 1 1 15 15 ASN CA C 15 55.409 55.409 56.228 -0.819 19568 337 1 2 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.255 -0.797 19568 338 1 2 . 1 1 15 15 ASN H H 15 8.500 8.500 8.327 0.173 19568 339 1 2 . 1 1 16 16 ILE N N 16 118.674 118.674 119.531 -0.857 19568 340 1 2 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.857 0.128 19568 341 1 2 . 1 1 16 16 ILE C C 16 176.784 176.784 176.803 -0.019 19568 342 1 2 . 1 1 16 16 ILE CA C 16 62.338 62.338 64.069 -1.731 19568 343 1 2 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.914 -0.269 19568 344 1 2 . 1 1 16 16 ILE H H 16 7.499 7.499 8.525 -1.026 19568 345 1 2 . 1 1 17 17 ALA N N 17 123.146 123.146 122.277 0.869 19568 346 1 2 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.128 -0.222 19568 347 1 2 . 1 1 17 17 ALA C C 17 178.295 178.295 178.982 -0.687 19568 348 1 2 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.931 0.335 19568 349 1 2 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.370 0.168 19568 350 1 2 . 1 1 17 17 ALA H H 17 8.154 8.154 7.947 0.206 19568 351 1 2 . 1 1 18 18 LYS N N 18 113.996 113.996 119.002 -5.006 19568 352 1 2 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.258 -0.309 19568 353 1 2 . 1 1 18 18 LYS C C 18 177.195 177.195 178.774 -1.579 19568 354 1 2 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.556 0.852 19568 355 1 2 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.904 -0.117 19568 356 1 2 . 1 1 18 18 LYS H H 18 7.867 7.867 7.585 0.282 19568 357 1 2 . 1 1 19 19 ILE N N 19 115.051 115.051 120.678 -5.627 19568 358 1 2 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.907 0.143 19568 359 1 2 . 1 1 19 19 ILE C C 19 175.727 175.727 177.171 -1.444 19568 360 1 2 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.123 -1.211 19568 361 1 2 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.431 0.281 19568 362 1 2 . 1 1 19 19 ILE H H 19 7.395 7.395 7.976 -0.581 19568 363 1 2 . 1 1 20 20 ILE N N 20 113.857 113.857 119.309 -5.452 19568 364 1 2 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.459 -1.036 19568 365 1 2 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.548 0.324 19568 366 1 2 . 1 1 20 20 ILE H H 20 7.468 7.468 7.665 -0.197 19568 367 1 2 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.367 -0.504 19568 368 1 2 . 1 1 21 21 ILE C C 21 176.210 176.210 177.895 -1.685 19568 369 1 2 . 1 1 21 21 ILE CA C 21 64.096 64.096 63.137 0.959 19568 370 1 2 . 1 1 22 22 GLY N N 22 106.975 106.975 110.134 -3.159 19568 371 1 2 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.514 -0.275 19568 372 1 2 . 1 1 22 22 GLY H H 22 8.473 8.473 8.359 0.114 19568 373 1 2 . 1 1 23 23 PRO C C 23 177.086 177.086 178.202 -1.116 19568 374 1 2 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.609 0.268 19568 375 1 2 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.433 0.629 19568 376 1 2 . 1 1 24 24 LEU N N 24 115.805 115.805 118.241 -2.436 19568 377 1 2 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.272 -0.185 19568 378 1 2 . 1 1 24 24 LEU C C 24 178.191 178.191 178.825 -0.634 19568 379 1 2 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.155 1.327 19568 380 1 2 . 1 1 24 24 LEU CB C 24 41.967 41.967 41.634 0.333 19568 381 1 2 . 1 1 24 24 LEU H H 24 7.855 7.855 8.211 -0.356 19568 382 1 2 . 1 1 25 25 ILE N N 25 118.715 118.715 120.468 -1.753 19568 383 1 2 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.804 -0.081 19568 384 1 2 . 1 1 25 25 ILE C C 25 177.615 177.615 178.611 -0.996 19568 385 1 2 . 1 1 25 25 ILE CA C 25 65.390 65.390 64.030 1.360 19568 386 1 2 . 1 1 25 25 ILE CB C 25 37.068 37.068 36.292 0.776 19568 387 1 2 . 1 1 25 25 ILE H H 25 8.373 8.373 8.355 0.018 19568 388 1 2 . 1 1 26 26 PHE N N 26 118.782 118.782 120.670 -1.888 19568 389 1 2 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.269 -0.287 19568 390 1 2 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.410 0.093 19568 391 1 2 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.921 0.148 19568 392 1 2 . 1 1 26 26 PHE H H 26 8.191 8.191 7.999 0.192 19568 393 1 2 . 1 1 27 27 VAL N N 27 118.263 118.263 119.856 -1.593 19568 394 1 2 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.938 -0.476 19568 395 1 2 . 1 1 27 27 VAL C C 27 178.431 178.431 177.934 0.497 19568 396 1 2 . 1 1 27 27 VAL CA C 27 67.240 67.240 65.856 1.383 19568 397 1 2 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.289 -0.183 19568 398 1 2 . 1 1 27 27 VAL H H 27 8.530 8.530 8.065 0.465 19568 399 1 2 . 1 1 28 28 PHE N N 28 122.020 122.020 121.416 0.604 19568 400 1 2 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.383 -0.218 19568 401 1 2 . 1 1 28 28 PHE C C 28 176.323 176.323 177.649 -1.326 19568 402 1 2 . 1 1 28 28 PHE CA C 28 61.738 61.738 60.351 1.387 19568 403 1 2 . 1 1 28 28 PHE CB C 28 39.182 39.182 38.880 0.302 19568 404 1 2 . 1 1 28 28 PHE H H 28 8.572 8.572 8.339 0.233 19568 405 1 2 . 1 1 29 29 LEU N N 29 118.508 118.508 120.491 -1.983 19568 406 1 2 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.973 -0.261 19568 407 1 2 . 1 1 29 29 LEU C C 29 178.103 178.103 178.108 -0.005 19568 408 1 2 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.002 0.169 19568 409 1 2 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.758 0.237 19568 410 1 2 . 1 1 29 29 LEU H H 29 8.631 8.631 8.241 0.390 19568 411 1 2 . 1 1 30 30 PHE N N 30 117.713 117.713 119.167 -1.454 19568 412 1 2 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.212 -0.353 19568 413 1 2 . 1 1 30 30 PHE CA C 30 61.654 61.654 60.432 1.222 19568 414 1 2 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.156 -0.301 19568 415 1 2 . 1 1 30 30 PHE H H 30 8.701 8.701 7.948 0.753 19568 416 1 2 . 1 1 31 31 SER N N 31 115.131 115.131 115.908 -0.777 19568 417 1 2 . 1 1 31 31 SER HA H 31 3.933 3.933 4.014 -0.081 19568 418 1 2 . 1 1 31 31 SER C C 31 175.646 175.646 176.792 -1.146 19568 419 1 2 . 1 1 31 31 SER CA C 31 63.631 63.631 61.724 1.907 19568 420 1 2 . 1 1 31 31 SER CB C 31 62.767 62.767 63.234 -0.467 19568 421 1 2 . 1 1 31 31 SER H H 31 8.137 8.137 8.279 -0.142 19568 422 1 2 . 1 1 32 32 VAL N N 32 120.892 120.892 122.452 -1.560 19568 423 1 2 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.810 -0.349 19568 424 1 2 . 1 1 32 32 VAL C C 32 178.552 178.552 177.579 0.973 19568 425 1 2 . 1 1 32 32 VAL CA C 32 66.397 66.397 65.936 0.461 19568 426 1 2 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.246 0.106 19568 427 1 2 . 1 1 32 32 VAL H H 32 7.820 7.820 8.129 -0.309 19568 428 1 2 . 1 1 33 33 VAL N N 33 121.892 121.892 120.846 1.046 19568 429 1 2 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.726 -0.323 19568 430 1 2 . 1 1 33 33 VAL C C 33 177.129 177.129 178.627 -1.498 19568 431 1 2 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.248 1.454 19568 432 1 2 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.356 0.049 19568 433 1 2 . 1 1 33 33 VAL H H 33 8.061 8.061 7.523 0.538 19568 434 1 2 . 1 1 34 34 ILE N N 34 117.742 117.742 115.838 1.904 19568 435 1 2 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.938 -0.372 19568 436 1 2 . 1 1 34 34 ILE C C 34 178.041 178.041 177.895 0.146 19568 437 1 2 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.092 0.248 19568 438 1 2 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.799 -0.370 19568 439 1 2 . 1 1 34 34 ILE H H 34 8.285 8.285 7.391 0.894 19568 440 1 2 . 1 1 35 35 GLY N N 35 107.221 107.221 109.386 -2.165 19568 441 1 2 . 1 1 35 35 GLY C C 35 174.842 174.842 176.096 -1.254 19568 442 1 2 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.150 0.546 19568 443 1 2 . 1 1 35 35 GLY H H 35 8.676 8.676 7.892 0.784 19568 444 1 2 . 1 1 36 36 SER N N 36 117.895 117.895 117.371 0.524 19568 445 1 2 . 1 1 36 36 SER HA H 36 4.080 4.080 4.296 -0.216 19568 446 1 2 . 1 1 36 36 SER C C 36 175.749 175.749 176.169 -0.420 19568 447 1 2 . 1 1 36 36 SER CA C 36 63.895 63.895 60.782 3.113 19568 448 1 2 . 1 1 36 36 SER CB C 36 63.038 63.038 62.842 0.196 19568 449 1 2 . 1 1 36 36 SER H H 36 8.185 8.185 8.274 -0.089 19568 450 1 2 . 1 1 37 37 ILE N N 37 122.412 122.412 121.277 1.135 19568 451 1 2 . 1 1 37 37 ILE HA H 37 3.650 3.650 4.010 -0.360 19568 452 1 2 . 1 1 37 37 ILE C C 37 177.436 177.436 177.837 -0.401 19568 453 1 2 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.247 1.832 19568 454 1 2 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.239 -0.292 19568 455 1 2 . 1 1 37 37 ILE H H 37 7.971 7.971 7.629 0.342 19568 456 1 2 . 1 1 38 38 TYR N N 38 119.517 119.517 120.634 -1.117 19568 457 1 2 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.129 0.038 19568 458 1 2 . 1 1 38 38 TYR C C 38 176.818 176.818 177.270 -0.452 19568 459 1 2 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.455 -0.003 19568 460 1 2 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.159 0.107 19568 461 1 2 . 1 1 38 38 TYR H H 38 8.450 8.450 7.885 0.565 19568 462 1 2 . 1 1 39 39 LEU N N 39 117.459 117.459 117.782 -0.323 19568 463 1 2 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.936 -0.239 19568 464 1 2 . 1 1 39 39 LEU C C 39 178.873 178.873 178.843 0.030 19568 465 1 2 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.314 0.616 19568 466 1 2 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.334 0.827 19568 467 1 2 . 1 1 39 39 LEU H H 39 8.369 8.369 7.722 0.647 19568 468 1 2 . 1 1 40 40 PHE N N 40 118.068 118.068 116.966 1.102 19568 469 1 2 . 1 1 40 40 PHE C C 40 177.002 177.002 177.593 -0.591 19568 470 1 2 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.725 -0.516 19568 471 1 2 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.815 -3.248 19568 472 1 2 . 1 1 40 40 PHE H H 40 8.317 8.317 8.619 -0.302 19568 473 1 2 . 1 1 41 41 LEU N N 41 117.738 117.738 118.810 -1.072 19568 474 1 2 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.006 -0.025 19568 475 1 2 . 1 1 41 41 LEU C C 41 177.917 177.917 178.771 -0.854 19568 476 1 2 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.963 -0.222 19568 477 1 2 . 1 1 41 41 LEU CB C 41 42.355 42.355 40.547 1.808 19568 478 1 2 . 1 1 41 41 LEU H H 41 8.309 8.309 7.703 0.606 19568 479 1 2 . 1 1 42 42 ARG N N 42 118.199 118.199 118.376 -0.177 19568 480 1 2 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.172 -0.161 19568 481 1 2 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.476 -0.380 19568 482 1 2 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.394 -0.519 19568 483 1 2 . 1 1 42 42 ARG H H 42 7.957 7.957 7.242 0.715 19568 484 1 2 . 1 1 43 43 LYS N N 43 119.027 119.027 117.415 1.612 19568 485 1 2 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.364 -0.190 19568 486 1 2 . 1 1 43 43 LYS C C 43 176.558 176.558 175.862 0.696 19568 487 1 2 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.764 0.666 19568 488 1 2 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.940 -0.364 19568 489 1 2 . 1 1 43 43 LYS H H 43 7.799 7.799 7.836 -0.037 19568 490 1 2 . 1 1 44 44 ARG N N 44 120.558 120.558 120.802 -0.244 19568 491 1 2 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.055 0.117 19568 492 1 2 . 1 1 44 44 ARG C C 44 175.813 175.813 175.862 -0.049 19568 493 1 2 . 1 1 44 44 ARG CA C 44 56.216 56.216 58.693 -2.477 19568 494 1 2 . 1 1 44 44 ARG CB C 44 30.658 30.658 30.632 0.026 19568 495 1 2 . 1 1 44 44 ARG H H 44 7.727 7.727 7.677 0.050 19568 496 1 2 . 1 1 45 45 GLN N N 45 122.179 122.179 115.999 6.180 19568 497 1 2 . 1 1 45 45 GLN C C 45 173.795 173.795 173.390 0.405 19568 498 1 2 . 1 1 45 45 GLN CA C 45 53.615 53.615 54.261 -0.646 19568 499 1 2 . 1 1 45 45 GLN CB C 45 29.002 29.002 29.888 -0.886 19568 500 1 2 . 1 1 45 45 GLN H H 45 8.141 8.141 8.437 -0.296 19568 501 1 2 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.527 -0.145 19568 502 1 2 . 1 1 46 46 PRO C C 46 176.477 176.477 177.070 -0.593 19568 503 1 2 . 1 1 46 46 PRO CA C 46 63.247 63.247 62.796 0.451 19568 504 1 2 . 1 1 46 46 PRO CB C 46 32.072 32.072 32.057 0.015 19568 505 1 2 . 1 1 47 47 ASP N N 47 120.424 120.424 124.331 -3.907 19568 506 1 2 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.511 0.075 19568 507 1 2 . 1 1 47 47 ASP C C 47 176.316 176.316 176.209 0.107 19568 508 1 2 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.624 0.732 19568 509 1 2 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.737 2.810 19568 510 1 2 . 1 1 47 47 ASP H H 47 8.333 8.333 8.709 -0.376 19568 511 1 2 . 1 1 48 48 GLY N N 48 108.892 108.892 107.511 1.381 19568 512 1 2 . 1 1 48 48 GLY C C 48 171.778 171.778 172.187 -0.409 19568 513 1 2 . 1 1 48 48 GLY CA C 48 44.630 44.630 45.093 -0.463 19568 514 1 2 . 1 1 48 48 GLY H H 48 8.063 8.063 8.064 -0.001 19568 515 1 2 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.493 -0.122 19568 516 1 2 . 1 1 49 49 PRO C C 49 177.077 177.077 176.333 0.744 19568 517 1 2 . 1 1 49 49 PRO CA C 49 63.235 63.235 61.989 1.246 19568 518 1 2 . 1 1 49 49 PRO CB C 49 32.148 32.148 29.936 2.212 19568 519 1 2 . 1 1 50 50 LEU N N 50 121.757 121.757 116.883 4.874 19568 520 1 2 . 1 1 50 50 LEU HA H 50 4.245 4.245 3.953 0.292 19568 521 1 2 . 1 1 50 50 LEU C C 50 177.320 177.320 175.010 2.310 19568 522 1 2 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.221 0.042 19568 523 1 2 . 1 1 50 50 LEU CB C 50 42.248 42.248 40.128 2.120 19568 524 1 2 . 1 1 50 50 LEU H H 50 8.263 8.263 7.944 0.319 19568 525 1 2 . 1 1 51 51 GLU N N 51 121.007 121.007 117.996 3.011 19568 526 1 2 . 1 1 51 51 GLU CA C 51 56.531 56.531 55.034 1.497 19568 527 1 2 . 1 1 51 51 GLU CB C 51 30.370 30.370 31.759 -1.389 19568 528 1 2 . 1 1 51 51 GLU H H 51 8.166 8.166 7.561 0.605 19568 529 1 3 . 1 1 2 2 THR N N 2 113.734 113.734 114.042 -0.308 19568 530 1 3 . 1 1 2 2 THR HA H 2 4.076 4.076 4.604 -0.528 19568 531 1 3 . 1 1 2 2 THR C C 2 174.729 174.729 175.919 -1.190 19568 532 1 3 . 1 1 2 2 THR CA C 2 63.234 63.234 63.456 -0.222 19568 533 1 3 . 1 1 2 2 THR CB C 2 69.247 69.247 69.347 -0.100 19568 534 1 3 . 1 1 2 2 THR H H 2 8.100 8.100 8.369 -0.269 19568 535 1 3 . 1 1 3 3 TYR N N 3 119.785 119.785 121.368 -1.583 19568 536 1 3 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.286 -0.047 19568 537 1 3 . 1 1 3 3 TYR C C 3 175.468 175.468 177.426 -1.958 19568 538 1 3 . 1 1 3 3 TYR CA C 3 59.361 59.361 60.725 -1.364 19568 539 1 3 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.760 0.777 19568 540 1 3 . 1 1 3 3 TYR H H 3 7.911 7.911 8.635 -0.724 19568 541 1 3 . 1 1 4 4 PHE N N 4 117.223 117.223 117.387 -0.164 19568 542 1 3 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.279 0.161 19568 543 1 3 . 1 1 4 4 PHE C C 4 174.872 174.872 177.514 -2.642 19568 544 1 3 . 1 1 4 4 PHE CA C 4 58.593 58.593 59.723 -1.130 19568 545 1 3 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.319 0.901 19568 546 1 3 . 1 1 4 4 PHE H H 4 7.634 7.634 8.083 -0.449 19568 547 1 3 . 1 1 5 5 TYR N N 5 118.715 118.715 120.058 -1.343 19568 548 1 3 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.754 -0.215 19568 549 1 3 . 1 1 5 5 TYR C C 5 176.539 176.539 178.633 -2.094 19568 550 1 3 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.142 -2.374 19568 551 1 3 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.766 -0.499 19568 552 1 3 . 1 1 5 5 TYR H H 5 7.877 7.877 8.804 -0.927 19568 553 1 3 . 1 1 6 6 VAL N N 6 118.275 118.275 117.677 0.598 19568 554 1 3 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.855 0.079 19568 555 1 3 . 1 1 6 6 VAL C C 6 176.487 176.487 176.922 -0.435 19568 556 1 3 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.057 -0.595 19568 557 1 3 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.126 0.857 19568 558 1 3 . 1 1 6 6 VAL H H 6 7.930 7.930 8.164 -0.234 19568 559 1 3 . 1 1 7 7 THR N N 7 111.175 111.175 114.030 -2.855 19568 560 1 3 . 1 1 7 7 THR HA H 7 4.212 4.212 4.266 -0.054 19568 561 1 3 . 1 1 7 7 THR C C 7 175.536 175.536 176.211 -0.675 19568 562 1 3 . 1 1 7 7 THR CA C 7 64.289 64.289 66.601 -2.312 19568 563 1 3 . 1 1 7 7 THR CB C 7 68.479 68.479 68.981 -0.502 19568 564 1 3 . 1 1 7 7 THR H H 7 7.814 7.814 7.489 0.325 19568 565 1 3 . 1 1 8 8 ASP N N 8 121.151 121.151 121.583 -0.432 19568 566 1 3 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.397 0.049 19568 567 1 3 . 1 1 8 8 ASP CA C 8 56.017 56.017 55.904 0.113 19568 568 1 3 . 1 1 8 8 ASP CB C 8 40.695 40.695 39.214 1.481 19568 569 1 3 . 1 1 8 8 ASP H H 8 8.006 8.006 7.696 0.310 19568 570 1 3 . 1 1 9 9 TYR N N 9 117.806 117.806 120.015 -2.209 19568 571 1 3 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.236 0.105 19568 572 1 3 . 1 1 9 9 TYR C C 9 176.025 176.025 175.781 0.244 19568 573 1 3 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.097 -0.572 19568 574 1 3 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.645 0.688 19568 575 1 3 . 1 1 9 9 TYR H H 9 7.726 7.726 7.504 0.222 19568 576 1 3 . 1 1 10 10 LEU N N 10 116.985 116.985 120.383 -3.398 19568 577 1 3 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.461 -0.184 19568 578 1 3 . 1 1 10 10 LEU C C 10 175.391 175.391 175.258 0.133 19568 579 1 3 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.637 0.056 19568 580 1 3 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.840 1.169 19568 581 1 3 . 1 1 10 10 LEU H H 10 7.514 7.514 7.194 0.320 19568 582 1 3 . 1 1 11 11 ASP N N 11 120.049 120.049 120.273 -0.224 19568 583 1 3 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.731 -0.215 19568 584 1 3 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.245 0.632 19568 585 1 3 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.248 -2.638 19568 586 1 3 . 1 1 11 11 ASP H H 11 7.978 7.978 7.266 0.712 19568 587 1 3 . 1 1 12 12 VAL N N 12 118.837 118.837 122.311 -3.474 19568 588 1 3 . 1 1 12 12 VAL CA C 12 59.819 59.819 59.383 0.436 19568 589 1 3 . 1 1 12 12 VAL H H 12 7.780 7.780 7.977 -0.197 19568 590 1 3 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.533 -0.453 19568 591 1 3 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.531 0.842 19568 592 1 3 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.619 -0.654 19568 593 1 3 . 1 1 14 14 SER N N 14 117.102 117.102 116.054 1.048 19568 594 1 3 . 1 1 14 14 SER HA H 14 4.080 4.080 4.163 -0.083 19568 595 1 3 . 1 1 14 14 SER CA C 14 61.149 61.149 60.902 0.247 19568 596 1 3 . 1 1 14 14 SER H H 14 8.631 8.631 8.569 0.062 19568 597 1 3 . 1 1 15 15 ASN N N 15 118.240 118.240 121.254 -3.014 19568 598 1 3 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.503 0.001 19568 599 1 3 . 1 1 15 15 ASN C C 15 176.447 176.447 176.626 -0.179 19568 600 1 3 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.747 -0.338 19568 601 1 3 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.183 -0.725 19568 602 1 3 . 1 1 15 15 ASN H H 15 8.500 8.500 8.530 -0.030 19568 603 1 3 . 1 1 16 16 ILE N N 16 118.674 118.674 118.882 -0.208 19568 604 1 3 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.892 0.093 19568 605 1 3 . 1 1 16 16 ILE C C 16 176.784 176.784 176.808 -0.024 19568 606 1 3 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.336 -0.998 19568 607 1 3 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.859 -0.214 19568 608 1 3 . 1 1 16 16 ILE H H 16 7.499 7.499 7.632 -0.133 19568 609 1 3 . 1 1 17 17 ALA N N 17 123.146 123.146 122.968 0.178 19568 610 1 3 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.130 -0.224 19568 611 1 3 . 1 1 17 17 ALA C C 17 178.295 178.295 179.365 -1.070 19568 612 1 3 . 1 1 17 17 ALA CA C 17 55.267 55.267 55.010 0.257 19568 613 1 3 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.354 0.184 19568 614 1 3 . 1 1 17 17 ALA H H 17 8.154 8.154 8.122 0.032 19568 615 1 3 . 1 1 18 18 LYS N N 18 113.996 113.996 118.678 -4.682 19568 616 1 3 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.309 -0.360 19568 617 1 3 . 1 1 18 18 LYS C C 18 177.195 177.195 178.015 -0.820 19568 618 1 3 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.140 1.267 19568 619 1 3 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.071 -0.284 19568 620 1 3 . 1 1 18 18 LYS H H 18 7.867 7.867 7.465 0.402 19568 621 1 3 . 1 1 19 19 ILE N N 19 115.051 115.051 118.964 -3.913 19568 622 1 3 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.984 0.066 19568 623 1 3 . 1 1 19 19 ILE C C 19 175.727 175.727 177.715 -1.988 19568 624 1 3 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.249 -0.337 19568 625 1 3 . 1 1 19 19 ILE CB C 19 38.712 38.712 37.526 1.186 19568 626 1 3 . 1 1 19 19 ILE H H 19 7.395 7.395 7.543 -0.148 19568 627 1 3 . 1 1 20 20 ILE N N 20 113.857 113.857 120.198 -6.341 19568 628 1 3 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.964 -1.541 19568 629 1 3 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.195 0.677 19568 630 1 3 . 1 1 20 20 ILE H H 20 7.468 7.468 7.627 -0.159 19568 631 1 3 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.090 -0.227 19568 632 1 3 . 1 1 21 21 ILE C C 21 176.210 176.210 177.637 -1.427 19568 633 1 3 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.589 1.507 19568 634 1 3 . 1 1 22 22 GLY N N 22 106.975 106.975 109.267 -2.292 19568 635 1 3 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.592 -0.353 19568 636 1 3 . 1 1 22 22 GLY H H 22 8.473 8.473 8.072 0.401 19568 637 1 3 . 1 1 23 23 PRO C C 23 177.086 177.086 178.169 -1.083 19568 638 1 3 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.425 0.452 19568 639 1 3 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.466 0.596 19568 640 1 3 . 1 1 24 24 LEU N N 24 115.805 115.805 118.372 -2.567 19568 641 1 3 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.268 -0.181 19568 642 1 3 . 1 1 24 24 LEU C C 24 178.191 178.191 178.485 -0.294 19568 643 1 3 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.524 0.958 19568 644 1 3 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.394 -0.427 19568 645 1 3 . 1 1 24 24 LEU H H 24 7.855 7.855 8.097 -0.242 19568 646 1 3 . 1 1 25 25 ILE N N 25 118.715 118.715 120.609 -1.894 19568 647 1 3 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.652 0.071 19568 648 1 3 . 1 1 25 25 ILE C C 25 177.615 177.615 178.245 -0.630 19568 649 1 3 . 1 1 25 25 ILE CA C 25 65.390 65.390 64.488 0.902 19568 650 1 3 . 1 1 25 25 ILE CB C 25 37.068 37.068 36.658 0.410 19568 651 1 3 . 1 1 25 25 ILE H H 25 8.373 8.373 8.426 -0.053 19568 652 1 3 . 1 1 26 26 PHE N N 26 118.782 118.782 118.770 0.012 19568 653 1 3 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.234 -0.252 19568 654 1 3 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.803 -0.300 19568 655 1 3 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.497 0.572 19568 656 1 3 . 1 1 26 26 PHE H H 26 8.191 8.191 7.876 0.315 19568 657 1 3 . 1 1 27 27 VAL N N 27 118.263 118.263 119.857 -1.594 19568 658 1 3 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.624 -0.162 19568 659 1 3 . 1 1 27 27 VAL C C 27 178.431 178.431 177.886 0.545 19568 660 1 3 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.716 0.524 19568 661 1 3 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.532 -0.426 19568 662 1 3 . 1 1 27 27 VAL H H 27 8.530 8.530 7.935 0.595 19568 663 1 3 . 1 1 28 28 PHE N N 28 122.020 122.020 121.234 0.786 19568 664 1 3 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.207 -0.042 19568 665 1 3 . 1 1 28 28 PHE C C 28 176.323 176.323 177.547 -1.224 19568 666 1 3 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.388 -0.650 19568 667 1 3 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.357 -0.175 19568 668 1 3 . 1 1 28 28 PHE H H 28 8.572 8.572 8.268 0.304 19568 669 1 3 . 1 1 29 29 LEU N N 29 118.508 118.508 119.208 -0.700 19568 670 1 3 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.101 -0.389 19568 671 1 3 . 1 1 29 29 LEU C C 29 178.103 178.103 179.402 -1.299 19568 672 1 3 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.364 -0.193 19568 673 1 3 . 1 1 29 29 LEU CB C 29 41.995 41.995 40.948 1.047 19568 674 1 3 . 1 1 29 29 LEU H H 29 8.631 8.631 8.163 0.468 19568 675 1 3 . 1 1 30 30 PHE N N 30 117.713 117.713 119.540 -1.827 19568 676 1 3 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.327 -0.468 19568 677 1 3 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.011 0.642 19568 678 1 3 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.631 0.224 19568 679 1 3 . 1 1 30 30 PHE H H 30 8.701 8.701 8.250 0.451 19568 680 1 3 . 1 1 31 31 SER N N 31 115.131 115.131 115.675 -0.544 19568 681 1 3 . 1 1 31 31 SER HA H 31 3.933 3.933 4.251 -0.318 19568 682 1 3 . 1 1 31 31 SER C C 31 175.646 175.646 176.608 -0.962 19568 683 1 3 . 1 1 31 31 SER CA C 31 63.631 63.631 61.608 2.023 19568 684 1 3 . 1 1 31 31 SER CB C 31 62.767 62.767 62.461 0.306 19568 685 1 3 . 1 1 31 31 SER H H 31 8.137 8.137 8.285 -0.148 19568 686 1 3 . 1 1 32 32 VAL N N 32 120.892 120.892 120.120 0.772 19568 687 1 3 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.702 -0.241 19568 688 1 3 . 1 1 32 32 VAL C C 32 178.552 178.552 178.114 0.438 19568 689 1 3 . 1 1 32 32 VAL CA C 32 66.397 66.397 65.444 0.953 19568 690 1 3 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.048 0.304 19568 691 1 3 . 1 1 32 32 VAL H H 32 7.820 7.820 7.965 -0.145 19568 692 1 3 . 1 1 33 33 VAL N N 33 121.892 121.892 118.926 2.966 19568 693 1 3 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.845 -0.442 19568 694 1 3 . 1 1 33 33 VAL C C 33 177.129 177.129 178.109 -0.980 19568 695 1 3 . 1 1 33 33 VAL CA C 33 67.702 67.702 65.479 2.223 19568 696 1 3 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.221 0.183 19568 697 1 3 . 1 1 33 33 VAL H H 33 8.061 8.061 7.513 0.548 19568 698 1 3 . 1 1 34 34 ILE N N 34 117.742 117.742 119.950 -2.208 19568 699 1 3 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.606 -0.040 19568 700 1 3 . 1 1 34 34 ILE C C 34 178.041 178.041 177.643 0.398 19568 701 1 3 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.846 0.494 19568 702 1 3 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.233 -0.804 19568 703 1 3 . 1 1 34 34 ILE H H 34 8.285 8.285 8.084 0.201 19568 704 1 3 . 1 1 35 35 GLY N N 35 107.221 107.221 107.592 -0.371 19568 705 1 3 . 1 1 35 35 GLY C C 35 174.842 174.842 175.688 -0.846 19568 706 1 3 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.272 0.424 19568 707 1 3 . 1 1 35 35 GLY H H 35 8.676 8.676 7.724 0.952 19568 708 1 3 . 1 1 36 36 SER N N 36 117.895 117.895 117.448 0.447 19568 709 1 3 . 1 1 36 36 SER HA H 36 4.080 4.080 4.260 -0.180 19568 710 1 3 . 1 1 36 36 SER C C 36 175.749 175.749 176.853 -1.104 19568 711 1 3 . 1 1 36 36 SER CA C 36 63.895 63.895 61.017 2.878 19568 712 1 3 . 1 1 36 36 SER CB C 36 63.038 63.038 63.242 -0.204 19568 713 1 3 . 1 1 36 36 SER H H 36 8.185 8.185 7.759 0.426 19568 714 1 3 . 1 1 37 37 ILE N N 37 122.412 122.412 122.428 -0.016 19568 715 1 3 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.796 -0.146 19568 716 1 3 . 1 1 37 37 ILE C C 37 177.436 177.436 177.584 -0.148 19568 717 1 3 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.465 1.614 19568 718 1 3 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.920 0.026 19568 719 1 3 . 1 1 37 37 ILE H H 37 7.971 7.971 8.059 -0.088 19568 720 1 3 . 1 1 38 38 TYR N N 38 119.517 119.517 119.956 -0.439 19568 721 1 3 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.061 0.106 19568 722 1 3 . 1 1 38 38 TYR C C 38 176.818 176.818 177.917 -1.099 19568 723 1 3 . 1 1 38 38 TYR CA C 38 62.452 62.452 61.909 0.543 19568 724 1 3 . 1 1 38 38 TYR CB C 38 38.266 38.266 37.911 0.355 19568 725 1 3 . 1 1 38 38 TYR H H 38 8.450 8.450 7.593 0.857 19568 726 1 3 . 1 1 39 39 LEU N N 39 117.459 117.459 118.107 -0.648 19568 727 1 3 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.968 -0.271 19568 728 1 3 . 1 1 39 39 LEU C C 39 178.873 178.873 179.206 -0.333 19568 729 1 3 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.719 0.211 19568 730 1 3 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.958 0.203 19568 731 1 3 . 1 1 39 39 LEU H H 39 8.369 8.369 7.812 0.557 19568 732 1 3 . 1 1 40 40 PHE N N 40 118.068 118.068 118.690 -0.622 19568 733 1 3 . 1 1 40 40 PHE C C 40 177.002 177.002 177.160 -0.158 19568 734 1 3 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.176 0.033 19568 735 1 3 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.333 -3.766 19568 736 1 3 . 1 1 40 40 PHE H H 40 8.317 8.317 7.904 0.413 19568 737 1 3 . 1 1 41 41 LEU N N 41 117.738 117.738 120.614 -2.876 19568 738 1 3 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.143 -0.162 19568 739 1 3 . 1 1 41 41 LEU C C 41 177.917 177.917 178.651 -0.734 19568 740 1 3 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.338 0.403 19568 741 1 3 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.525 0.830 19568 742 1 3 . 1 1 41 41 LEU H H 41 8.309 8.309 8.213 0.096 19568 743 1 3 . 1 1 42 42 ARG N N 42 118.199 118.199 120.295 -2.096 19568 744 1 3 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.137 -0.126 19568 745 1 3 . 1 1 42 42 ARG CA C 42 57.096 57.096 58.014 -0.918 19568 746 1 3 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.924 -0.049 19568 747 1 3 . 1 1 42 42 ARG H H 42 7.957 7.957 7.706 0.251 19568 748 1 3 . 1 1 43 43 LYS N N 43 119.027 119.027 117.623 1.404 19568 749 1 3 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.386 -0.212 19568 750 1 3 . 1 1 43 43 LYS C C 43 176.558 176.558 176.098 0.460 19568 751 1 3 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.387 1.043 19568 752 1 3 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.446 0.130 19568 753 1 3 . 1 1 43 43 LYS H H 43 7.799 7.799 7.351 0.448 19568 754 1 3 . 1 1 44 44 ARG N N 44 120.558 120.558 120.515 0.043 19568 755 1 3 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.109 0.063 19568 756 1 3 . 1 1 44 44 ARG C C 44 175.813 175.813 176.400 -0.587 19568 757 1 3 . 1 1 44 44 ARG CA C 44 56.216 56.216 57.187 -0.971 19568 758 1 3 . 1 1 44 44 ARG CB C 44 30.658 30.658 30.556 0.102 19568 759 1 3 . 1 1 44 44 ARG H H 44 7.727 7.727 7.528 0.199 19568 760 1 3 . 1 1 45 45 GLN N N 45 122.179 122.179 117.852 4.327 19568 761 1 3 . 1 1 45 45 GLN C C 45 173.795 173.795 173.847 -0.052 19568 762 1 3 . 1 1 45 45 GLN CA C 45 53.615 53.615 55.600 -1.985 19568 763 1 3 . 1 1 45 45 GLN CB C 45 29.002 29.002 28.035 0.967 19568 764 1 3 . 1 1 45 45 GLN H H 45 8.141 8.141 8.577 -0.436 19568 765 1 3 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.463 -0.081 19568 766 1 3 . 1 1 46 46 PRO C C 46 176.477 176.477 176.746 -0.269 19568 767 1 3 . 1 1 46 46 PRO CA C 46 63.247 63.247 62.597 0.650 19568 768 1 3 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.594 0.478 19568 769 1 3 . 1 1 47 47 ASP N N 47 120.424 120.424 127.117 -6.693 19568 770 1 3 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.495 0.091 19568 771 1 3 . 1 1 47 47 ASP C C 47 176.316 176.316 175.772 0.544 19568 772 1 3 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.491 0.865 19568 773 1 3 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.496 2.051 19568 774 1 3 . 1 1 47 47 ASP H H 47 8.333 8.333 8.690 -0.357 19568 775 1 3 . 1 1 48 48 GLY N N 48 108.892 108.892 108.714 0.178 19568 776 1 3 . 1 1 48 48 GLY C C 48 171.778 171.778 172.002 -0.224 19568 777 1 3 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.704 -0.074 19568 778 1 3 . 1 1 48 48 GLY H H 48 8.063 8.063 7.876 0.187 19568 779 1 3 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.467 -0.096 19568 780 1 3 . 1 1 49 49 PRO C C 49 177.077 177.077 176.503 0.574 19568 781 1 3 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.615 -0.380 19568 782 1 3 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.126 0.022 19568 783 1 3 . 1 1 50 50 LEU N N 50 121.757 121.757 124.192 -2.435 19568 784 1 3 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.703 -0.458 19568 785 1 3 . 1 1 50 50 LEU C C 50 177.320 177.320 177.469 -0.149 19568 786 1 3 . 1 1 50 50 LEU CA C 50 55.264 55.264 53.740 1.524 19568 787 1 3 . 1 1 50 50 LEU CB C 50 42.248 42.248 43.430 -1.182 19568 788 1 3 . 1 1 50 50 LEU H H 50 8.263 8.263 8.151 0.112 19568 789 1 3 . 1 1 51 51 GLU N N 51 121.007 121.007 118.390 2.617 19568 790 1 3 . 1 1 51 51 GLU CA C 51 56.531 56.531 55.154 1.377 19568 791 1 3 . 1 1 51 51 GLU CB C 51 30.370 30.370 30.809 -0.439 19568 792 1 3 . 1 1 51 51 GLU H H 51 8.166 8.166 8.401 -0.235 19568 793 1 4 . 1 1 2 2 THR N N 2 113.734 113.734 117.083 -3.349 19568 794 1 4 . 1 1 2 2 THR HA H 2 4.076 4.076 4.080 -0.004 19568 795 1 4 . 1 1 2 2 THR C C 2 174.729 174.729 176.025 -1.296 19568 796 1 4 . 1 1 2 2 THR CA C 2 63.234 63.234 66.061 -2.827 19568 797 1 4 . 1 1 2 2 THR CB C 2 69.247 69.247 68.320 0.926 19568 798 1 4 . 1 1 2 2 THR H H 2 8.100 8.100 8.347 -0.247 19568 799 1 4 . 1 1 3 3 TYR N N 3 119.785 119.785 119.513 0.272 19568 800 1 4 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.232 0.007 19568 801 1 4 . 1 1 3 3 TYR C C 3 175.468 175.468 178.361 -2.893 19568 802 1 4 . 1 1 3 3 TYR CA C 3 59.361 59.361 61.078 -1.717 19568 803 1 4 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.816 0.719 19568 804 1 4 . 1 1 3 3 TYR H H 3 7.911 7.911 8.019 -0.108 19568 805 1 4 . 1 1 4 4 PHE N N 4 117.223 117.223 118.499 -1.276 19568 806 1 4 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.216 0.224 19568 807 1 4 . 1 1 4 4 PHE C C 4 174.872 174.872 176.383 -1.511 19568 808 1 4 . 1 1 4 4 PHE CA C 4 58.593 58.593 60.682 -2.089 19568 809 1 4 . 1 1 4 4 PHE CB C 4 39.220 39.220 39.041 0.179 19568 810 1 4 . 1 1 4 4 PHE H H 4 7.634 7.634 8.602 -0.968 19568 811 1 4 . 1 1 5 5 TYR N N 5 118.715 118.715 119.386 -0.671 19568 812 1 4 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.380 0.159 19568 813 1 4 . 1 1 5 5 TYR C C 5 176.539 176.539 178.067 -1.528 19568 814 1 4 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.058 -2.290 19568 815 1 4 . 1 1 5 5 TYR CB C 5 38.267 38.267 39.100 -0.833 19568 816 1 4 . 1 1 5 5 TYR H H 5 7.877 7.877 7.707 0.170 19568 817 1 4 . 1 1 6 6 VAL N N 6 118.275 118.275 119.117 -0.842 19568 818 1 4 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.698 0.236 19568 819 1 4 . 1 1 6 6 VAL C C 6 176.487 176.487 177.582 -1.095 19568 820 1 4 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.490 -1.028 19568 821 1 4 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.077 0.906 19568 822 1 4 . 1 1 6 6 VAL H H 6 7.930 7.930 8.054 -0.124 19568 823 1 4 . 1 1 7 7 THR N N 7 111.175 111.175 116.570 -5.395 19568 824 1 4 . 1 1 7 7 THR HA H 7 4.212 4.212 4.233 -0.021 19568 825 1 4 . 1 1 7 7 THR C C 7 175.536 175.536 175.344 0.192 19568 826 1 4 . 1 1 7 7 THR CA C 7 64.289 64.289 66.281 -1.992 19568 827 1 4 . 1 1 7 7 THR CB C 7 68.479 68.479 68.638 -0.159 19568 828 1 4 . 1 1 7 7 THR H H 7 7.814 7.814 7.839 -0.025 19568 829 1 4 . 1 1 8 8 ASP N N 8 121.151 121.151 123.031 -1.880 19568 830 1 4 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.052 0.394 19568 831 1 4 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.541 -0.524 19568 832 1 4 . 1 1 8 8 ASP CB C 8 40.695 40.695 39.774 0.921 19568 833 1 4 . 1 1 8 8 ASP H H 8 8.006 8.006 8.288 -0.282 19568 834 1 4 . 1 1 9 9 TYR N N 9 117.806 117.806 118.949 -1.143 19568 835 1 4 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.184 0.157 19568 836 1 4 . 1 1 9 9 TYR C C 9 176.025 176.025 175.762 0.263 19568 837 1 4 . 1 1 9 9 TYR CA C 9 59.525 59.525 59.498 0.027 19568 838 1 4 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.381 0.952 19568 839 1 4 . 1 1 9 9 TYR H H 9 7.726 7.726 7.263 0.463 19568 840 1 4 . 1 1 10 10 LEU N N 10 116.985 116.985 119.555 -2.570 19568 841 1 4 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.180 0.097 19568 842 1 4 . 1 1 10 10 LEU C C 10 175.391 175.391 175.859 -0.468 19568 843 1 4 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.680 0.013 19568 844 1 4 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.484 1.525 19568 845 1 4 . 1 1 10 10 LEU H H 10 7.514 7.514 7.628 -0.114 19568 846 1 4 . 1 1 11 11 ASP N N 11 120.049 120.049 119.845 0.204 19568 847 1 4 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.698 -0.182 19568 848 1 4 . 1 1 11 11 ASP CA C 11 53.877 53.877 52.692 1.185 19568 849 1 4 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.289 -2.679 19568 850 1 4 . 1 1 11 11 ASP H H 11 7.978 7.978 7.252 0.726 19568 851 1 4 . 1 1 12 12 VAL N N 12 118.837 118.837 120.919 -2.082 19568 852 1 4 . 1 1 12 12 VAL CA C 12 59.819 59.819 60.931 -1.112 19568 853 1 4 . 1 1 12 12 VAL H H 12 7.780 7.780 8.084 -0.304 19568 854 1 4 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.567 -0.487 19568 855 1 4 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.459 0.914 19568 856 1 4 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.684 -0.719 19568 857 1 4 . 1 1 14 14 SER N N 14 117.102 117.102 116.994 0.108 19568 858 1 4 . 1 1 14 14 SER HA H 14 4.080 4.080 4.141 -0.061 19568 859 1 4 . 1 1 14 14 SER CA C 14 61.149 61.149 60.345 0.804 19568 860 1 4 . 1 1 14 14 SER H H 14 8.631 8.631 8.823 -0.192 19568 861 1 4 . 1 1 15 15 ASN N N 15 118.240 118.240 120.608 -2.368 19568 862 1 4 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.475 0.029 19568 863 1 4 . 1 1 15 15 ASN C C 15 176.447 176.447 176.804 -0.357 19568 864 1 4 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.822 -0.413 19568 865 1 4 . 1 1 15 15 ASN CB C 15 37.458 37.458 37.794 -0.336 19568 866 1 4 . 1 1 15 15 ASN H H 15 8.500 8.500 8.555 -0.055 19568 867 1 4 . 1 1 16 16 ILE N N 16 118.674 118.674 118.438 0.236 19568 868 1 4 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.946 0.039 19568 869 1 4 . 1 1 16 16 ILE C C 16 176.784 176.784 177.021 -0.237 19568 870 1 4 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.589 -1.251 19568 871 1 4 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.347 0.298 19568 872 1 4 . 1 1 16 16 ILE H H 16 7.499 7.499 7.818 -0.319 19568 873 1 4 . 1 1 17 17 ALA N N 17 123.146 123.146 123.147 -0.001 19568 874 1 4 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.133 -0.227 19568 875 1 4 . 1 1 17 17 ALA C C 17 178.295 178.295 179.518 -1.223 19568 876 1 4 . 1 1 17 17 ALA CA C 17 55.267 55.267 55.013 0.254 19568 877 1 4 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.433 0.105 19568 878 1 4 . 1 1 17 17 ALA H H 17 8.154 8.154 8.176 -0.022 19568 879 1 4 . 1 1 18 18 LYS N N 18 113.996 113.996 118.725 -4.729 19568 880 1 4 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.272 -0.323 19568 881 1 4 . 1 1 18 18 LYS C C 18 177.195 177.195 178.206 -1.011 19568 882 1 4 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.230 1.177 19568 883 1 4 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.983 -0.196 19568 884 1 4 . 1 1 18 18 LYS H H 18 7.867 7.867 7.533 0.334 19568 885 1 4 . 1 1 19 19 ILE N N 19 115.051 115.051 119.066 -4.015 19568 886 1 4 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.921 0.129 19568 887 1 4 . 1 1 19 19 ILE C C 19 175.727 175.727 177.507 -1.780 19568 888 1 4 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.138 -1.226 19568 889 1 4 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.248 0.464 19568 890 1 4 . 1 1 19 19 ILE H H 19 7.395 7.395 7.607 -0.212 19568 891 1 4 . 1 1 20 20 ILE N N 20 113.857 113.857 119.816 -5.959 19568 892 1 4 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.570 -1.147 19568 893 1 4 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.546 0.326 19568 894 1 4 . 1 1 20 20 ILE H H 20 7.468 7.468 7.555 -0.087 19568 895 1 4 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.121 -0.258 19568 896 1 4 . 1 1 21 21 ILE C C 21 176.210 176.210 177.361 -1.151 19568 897 1 4 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.555 1.541 19568 898 1 4 . 1 1 22 22 GLY N N 22 106.975 106.975 109.569 -2.594 19568 899 1 4 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.468 -0.229 19568 900 1 4 . 1 1 22 22 GLY H H 22 8.473 8.473 8.183 0.290 19568 901 1 4 . 1 1 23 23 PRO C C 23 177.086 177.086 178.329 -1.243 19568 902 1 4 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.583 0.294 19568 903 1 4 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.476 0.586 19568 904 1 4 . 1 1 24 24 LEU N N 24 115.805 115.805 118.249 -2.444 19568 905 1 4 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.295 -0.208 19568 906 1 4 . 1 1 24 24 LEU C C 24 178.191 178.191 178.476 -0.285 19568 907 1 4 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.351 1.131 19568 908 1 4 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.171 -0.204 19568 909 1 4 . 1 1 24 24 LEU H H 24 7.855 7.855 7.372 0.483 19568 910 1 4 . 1 1 25 25 ILE N N 25 118.715 118.715 120.334 -1.619 19568 911 1 4 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.656 0.067 19568 912 1 4 . 1 1 25 25 ILE C C 25 177.615 177.615 178.336 -0.721 19568 913 1 4 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.257 0.133 19568 914 1 4 . 1 1 25 25 ILE CB C 25 37.068 37.068 36.897 0.172 19568 915 1 4 . 1 1 25 25 ILE H H 25 8.373 8.373 8.505 -0.132 19568 916 1 4 . 1 1 26 26 PHE N N 26 118.782 118.782 120.139 -1.357 19568 917 1 4 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.228 -0.246 19568 918 1 4 . 1 1 26 26 PHE CA C 26 62.503 62.503 63.016 -0.513 19568 919 1 4 . 1 1 26 26 PHE CB C 26 39.069 39.069 39.194 -0.125 19568 920 1 4 . 1 1 26 26 PHE H H 26 8.191 8.191 7.755 0.436 19568 921 1 4 . 1 1 27 27 VAL N N 27 118.263 118.263 119.327 -1.064 19568 922 1 4 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.704 -0.242 19568 923 1 4 . 1 1 27 27 VAL C C 27 178.431 178.431 178.075 0.356 19568 924 1 4 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.606 0.634 19568 925 1 4 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.648 -0.542 19568 926 1 4 . 1 1 27 27 VAL H H 27 8.530 8.530 7.608 0.922 19568 927 1 4 . 1 1 28 28 PHE N N 28 122.020 122.020 120.352 1.668 19568 928 1 4 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.298 -0.133 19568 929 1 4 . 1 1 28 28 PHE C C 28 176.323 176.323 177.290 -0.967 19568 930 1 4 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.160 -0.422 19568 931 1 4 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.572 -0.390 19568 932 1 4 . 1 1 28 28 PHE H H 28 8.572 8.572 8.353 0.219 19568 933 1 4 . 1 1 29 29 LEU N N 29 118.508 118.508 120.893 -2.385 19568 934 1 4 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.996 -0.284 19568 935 1 4 . 1 1 29 29 LEU C C 29 178.103 178.103 178.129 -0.026 19568 936 1 4 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.062 0.109 19568 937 1 4 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.720 0.275 19568 938 1 4 . 1 1 29 29 LEU H H 29 8.631 8.631 7.915 0.716 19568 939 1 4 . 1 1 30 30 PHE N N 30 117.713 117.713 119.485 -1.772 19568 940 1 4 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.231 -0.372 19568 941 1 4 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.616 0.038 19568 942 1 4 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.917 -0.062 19568 943 1 4 . 1 1 30 30 PHE H H 30 8.701 8.701 8.560 0.141 19568 944 1 4 . 1 1 31 31 SER N N 31 115.131 115.131 115.129 0.002 19568 945 1 4 . 1 1 31 31 SER HA H 31 3.933 3.933 4.301 -0.368 19568 946 1 4 . 1 1 31 31 SER C C 31 175.646 175.646 176.956 -1.310 19568 947 1 4 . 1 1 31 31 SER CA C 31 63.631 63.631 61.552 2.079 19568 948 1 4 . 1 1 31 31 SER CB C 31 62.767 62.767 62.694 0.073 19568 949 1 4 . 1 1 31 31 SER H H 31 8.137 8.137 8.088 0.049 19568 950 1 4 . 1 1 32 32 VAL N N 32 120.892 120.892 121.581 -0.689 19568 951 1 4 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.612 -0.151 19568 952 1 4 . 1 1 32 32 VAL C C 32 178.552 178.552 177.775 0.777 19568 953 1 4 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.491 -0.094 19568 954 1 4 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.361 -0.009 19568 955 1 4 . 1 1 32 32 VAL H H 32 7.820 7.820 7.779 0.041 19568 956 1 4 . 1 1 33 33 VAL N N 33 121.892 121.892 120.631 1.261 19568 957 1 4 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.675 -0.272 19568 958 1 4 . 1 1 33 33 VAL C C 33 177.129 177.129 178.273 -1.144 19568 959 1 4 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.772 0.931 19568 960 1 4 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.459 -0.054 19568 961 1 4 . 1 1 33 33 VAL H H 33 8.061 8.061 7.687 0.374 19568 962 1 4 . 1 1 34 34 ILE N N 34 117.742 117.742 119.176 -1.434 19568 963 1 4 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.849 -0.283 19568 964 1 4 . 1 1 34 34 ILE C C 34 178.041 178.041 177.842 0.199 19568 965 1 4 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.915 0.425 19568 966 1 4 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.497 -1.068 19568 967 1 4 . 1 1 34 34 ILE H H 34 8.285 8.285 8.074 0.211 19568 968 1 4 . 1 1 35 35 GLY N N 35 107.221 107.221 108.390 -1.169 19568 969 1 4 . 1 1 35 35 GLY C C 35 174.842 174.842 175.780 -0.938 19568 970 1 4 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.000 0.696 19568 971 1 4 . 1 1 35 35 GLY H H 35 8.676 8.676 7.770 0.906 19568 972 1 4 . 1 1 36 36 SER N N 36 117.895 117.895 117.067 0.828 19568 973 1 4 . 1 1 36 36 SER HA H 36 4.080 4.080 4.303 -0.223 19568 974 1 4 . 1 1 36 36 SER C C 36 175.749 175.749 176.506 -0.757 19568 975 1 4 . 1 1 36 36 SER CA C 36 63.895 63.895 60.908 2.987 19568 976 1 4 . 1 1 36 36 SER CB C 36 63.038 63.038 63.248 -0.210 19568 977 1 4 . 1 1 36 36 SER H H 36 8.185 8.185 7.930 0.255 19568 978 1 4 . 1 1 37 37 ILE N N 37 122.412 122.412 121.221 1.191 19568 979 1 4 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.977 -0.327 19568 980 1 4 . 1 1 37 37 ILE C C 37 177.436 177.436 177.786 -0.350 19568 981 1 4 . 1 1 37 37 ILE CA C 37 66.079 66.079 62.690 3.389 19568 982 1 4 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.380 0.567 19568 983 1 4 . 1 1 37 37 ILE H H 37 7.971 7.971 7.781 0.190 19568 984 1 4 . 1 1 38 38 TYR N N 38 119.517 119.517 121.721 -2.204 19568 985 1 4 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.105 0.062 19568 986 1 4 . 1 1 38 38 TYR C C 38 176.818 176.818 177.876 -1.058 19568 987 1 4 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.264 0.188 19568 988 1 4 . 1 1 38 38 TYR CB C 38 38.266 38.266 37.983 0.283 19568 989 1 4 . 1 1 38 38 TYR H H 38 8.450 8.450 8.027 0.423 19568 990 1 4 . 1 1 39 39 LEU N N 39 117.459 117.459 118.848 -1.389 19568 991 1 4 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.960 -0.263 19568 992 1 4 . 1 1 39 39 LEU C C 39 178.873 178.873 178.937 -0.064 19568 993 1 4 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.963 -0.033 19568 994 1 4 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.837 0.324 19568 995 1 4 . 1 1 39 39 LEU H H 39 8.369 8.369 7.710 0.659 19568 996 1 4 . 1 1 40 40 PHE N N 40 118.068 118.068 117.865 0.203 19568 997 1 4 . 1 1 40 40 PHE C C 40 177.002 177.002 177.461 -0.459 19568 998 1 4 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.520 -0.311 19568 999 1 4 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.727 -4.160 19568 1000 1 4 . 1 1 40 40 PHE H H 40 8.317 8.317 8.170 0.147 19568 1001 1 4 . 1 1 41 41 LEU N N 41 117.738 117.738 119.733 -1.995 19568 1002 1 4 . 1 1 41 41 LEU HA H 41 3.981 3.981 3.984 -0.003 19568 1003 1 4 . 1 1 41 41 LEU C C 41 177.917 177.917 179.069 -1.152 19568 1004 1 4 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.942 -0.201 19568 1005 1 4 . 1 1 41 41 LEU CB C 41 42.355 42.355 40.567 1.788 19568 1006 1 4 . 1 1 41 41 LEU H H 41 8.309 8.309 7.513 0.796 19568 1007 1 4 . 1 1 42 42 ARG N N 42 118.199 118.199 118.813 -0.614 19568 1008 1 4 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.194 -0.183 19568 1009 1 4 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.981 -0.885 19568 1010 1 4 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.855 0.020 19568 1011 1 4 . 1 1 42 42 ARG H H 42 7.957 7.957 7.732 0.225 19568 1012 1 4 . 1 1 43 43 LYS N N 43 119.027 119.027 117.786 1.241 19568 1013 1 4 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.254 -0.080 19568 1014 1 4 . 1 1 43 43 LYS C C 43 176.558 176.558 176.125 0.433 19568 1015 1 4 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.972 0.458 19568 1016 1 4 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.013 0.563 19568 1017 1 4 . 1 1 43 43 LYS H H 43 7.799 7.799 7.670 0.129 19568 1018 1 4 . 1 1 44 44 ARG N N 44 120.558 120.558 117.922 2.636 19568 1019 1 4 . 1 1 44 44 ARG HA H 44 4.172 4.172 3.990 0.182 19568 1020 1 4 . 1 1 44 44 ARG C C 44 175.813 175.813 175.105 0.708 19568 1021 1 4 . 1 1 44 44 ARG CA C 44 56.216 56.216 57.312 -1.096 19568 1022 1 4 . 1 1 44 44 ARG CB C 44 30.658 30.658 29.079 1.579 19568 1023 1 4 . 1 1 44 44 ARG H H 44 7.727 7.727 7.656 0.071 19568 1024 1 4 . 1 1 45 45 GLN N N 45 122.179 122.179 122.625 -0.446 19568 1025 1 4 . 1 1 45 45 GLN C C 45 173.795 173.795 173.648 0.147 19568 1026 1 4 . 1 1 45 45 GLN CA C 45 53.615 53.615 53.640 -0.025 19568 1027 1 4 . 1 1 45 45 GLN CB C 45 29.002 29.002 30.019 -1.017 19568 1028 1 4 . 1 1 45 45 GLN H H 45 8.141 8.141 8.448 -0.307 19568 1029 1 4 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.495 -0.113 19568 1030 1 4 . 1 1 46 46 PRO C C 46 176.477 176.477 176.911 -0.434 19568 1031 1 4 . 1 1 46 46 PRO CA C 46 63.247 63.247 62.717 0.530 19568 1032 1 4 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.864 0.208 19568 1033 1 4 . 1 1 47 47 ASP N N 47 120.424 120.424 125.976 -5.552 19568 1034 1 4 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.483 0.103 19568 1035 1 4 . 1 1 47 47 ASP C C 47 176.316 176.316 176.130 0.186 19568 1036 1 4 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.774 0.582 19568 1037 1 4 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.504 3.043 19568 1038 1 4 . 1 1 47 47 ASP H H 47 8.333 8.333 8.714 -0.381 19568 1039 1 4 . 1 1 48 48 GLY N N 48 108.892 108.892 108.402 0.490 19568 1040 1 4 . 1 1 48 48 GLY C C 48 171.778 171.778 173.006 -1.228 19568 1041 1 4 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.153 0.477 19568 1042 1 4 . 1 1 48 48 GLY H H 48 8.063 8.063 8.185 -0.122 19568 1043 1 4 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.432 -0.061 19568 1044 1 4 . 1 1 49 49 PRO C C 49 177.077 177.077 176.789 0.288 19568 1045 1 4 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.971 0.264 19568 1046 1 4 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.673 -0.525 19568 1047 1 4 . 1 1 50 50 LEU N N 50 121.757 121.757 118.169 3.588 19568 1048 1 4 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.165 0.080 19568 1049 1 4 . 1 1 50 50 LEU C C 50 177.320 177.320 175.191 2.129 19568 1050 1 4 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.407 -0.143 19568 1051 1 4 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.373 0.875 19568 1052 1 4 . 1 1 50 50 LEU H H 50 8.263 8.263 8.560 -0.297 19568 1053 1 4 . 1 1 51 51 GLU N N 51 121.007 121.007 120.452 0.555 19568 1054 1 4 . 1 1 51 51 GLU CA C 51 56.531 56.531 54.550 1.981 19568 1055 1 4 . 1 1 51 51 GLU CB C 51 30.370 30.370 31.600 -1.230 19568 1056 1 4 . 1 1 51 51 GLU H H 51 8.166 8.166 8.334 -0.168 19568 1057 1 5 . 1 1 2 2 THR N N 2 113.734 113.734 113.011 0.723 19568 1058 1 5 . 1 1 2 2 THR HA H 2 4.076 4.076 4.598 -0.522 19568 1059 1 5 . 1 1 2 2 THR C C 2 174.729 174.729 175.727 -0.998 19568 1060 1 5 . 1 1 2 2 THR CA C 2 63.234 63.234 62.648 0.586 19568 1061 1 5 . 1 1 2 2 THR CB C 2 69.247 69.247 69.520 -0.273 19568 1062 1 5 . 1 1 2 2 THR H H 2 8.100 8.100 8.597 -0.497 19568 1063 1 5 . 1 1 3 3 TYR N N 3 119.785 119.785 123.392 -3.607 19568 1064 1 5 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.201 0.038 19568 1065 1 5 . 1 1 3 3 TYR C C 3 175.468 175.468 177.641 -2.173 19568 1066 1 5 . 1 1 3 3 TYR CA C 3 59.361 59.361 60.352 -0.991 19568 1067 1 5 . 1 1 3 3 TYR CB C 3 38.536 38.536 38.066 0.469 19568 1068 1 5 . 1 1 3 3 TYR H H 3 7.911 7.911 8.215 -0.304 19568 1069 1 5 . 1 1 4 4 PHE N N 4 117.223 117.223 118.280 -1.057 19568 1070 1 5 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.088 0.352 19568 1071 1 5 . 1 1 4 4 PHE C C 4 174.872 174.872 177.221 -2.349 19568 1072 1 5 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.033 -2.440 19568 1073 1 5 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.477 0.743 19568 1074 1 5 . 1 1 4 4 PHE H H 4 7.634 7.634 8.499 -0.865 19568 1075 1 5 . 1 1 5 5 TYR N N 5 118.715 118.715 117.913 0.802 19568 1076 1 5 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.079 0.460 19568 1077 1 5 . 1 1 5 5 TYR C C 5 176.539 176.539 178.225 -1.686 19568 1078 1 5 . 1 1 5 5 TYR CA C 5 58.768 58.768 62.774 -4.006 19568 1079 1 5 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.359 -0.092 19568 1080 1 5 . 1 1 5 5 TYR H H 5 7.877 7.877 8.362 -0.485 19568 1081 1 5 . 1 1 6 6 VAL N N 6 118.275 118.275 117.289 0.986 19568 1082 1 5 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.679 0.255 19568 1083 1 5 . 1 1 6 6 VAL C C 6 176.487 176.487 177.255 -0.768 19568 1084 1 5 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.365 -0.903 19568 1085 1 5 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.215 0.768 19568 1086 1 5 . 1 1 6 6 VAL H H 6 7.930 7.930 7.414 0.516 19568 1087 1 5 . 1 1 7 7 THR N N 7 111.175 111.175 114.085 -2.910 19568 1088 1 5 . 1 1 7 7 THR HA H 7 4.212 4.212 4.145 0.067 19568 1089 1 5 . 1 1 7 7 THR C C 7 175.536 175.536 176.614 -1.078 19568 1090 1 5 . 1 1 7 7 THR CA C 7 64.289 64.289 65.890 -1.601 19568 1091 1 5 . 1 1 7 7 THR CB C 7 68.479 68.479 68.301 0.178 19568 1092 1 5 . 1 1 7 7 THR H H 7 7.814 7.814 8.131 -0.317 19568 1093 1 5 . 1 1 8 8 ASP N N 8 121.151 121.151 122.117 -0.966 19568 1094 1 5 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.336 0.110 19568 1095 1 5 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.017 -0.000 19568 1096 1 5 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.515 0.180 19568 1097 1 5 . 1 1 8 8 ASP H H 8 8.006 8.006 7.581 0.425 19568 1098 1 5 . 1 1 9 9 TYR N N 9 117.806 117.806 117.911 -0.105 19568 1099 1 5 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.330 0.011 19568 1100 1 5 . 1 1 9 9 TYR C C 9 176.025 176.025 176.547 -0.522 19568 1101 1 5 . 1 1 9 9 TYR CA C 9 59.525 59.525 59.897 -0.372 19568 1102 1 5 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.916 0.417 19568 1103 1 5 . 1 1 9 9 TYR H H 9 7.726 7.726 7.387 0.339 19568 1104 1 5 . 1 1 10 10 LEU N N 10 116.985 116.985 121.214 -4.229 19568 1105 1 5 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.426 -0.149 19568 1106 1 5 . 1 1 10 10 LEU C C 10 175.391 175.391 175.407 -0.016 19568 1107 1 5 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.399 0.294 19568 1108 1 5 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.367 1.642 19568 1109 1 5 . 1 1 10 10 LEU H H 10 7.514 7.514 7.159 0.355 19568 1110 1 5 . 1 1 11 11 ASP N N 11 120.049 120.049 120.111 -0.062 19568 1111 1 5 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.764 -0.248 19568 1112 1 5 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.789 0.088 19568 1113 1 5 . 1 1 11 11 ASP CB C 11 40.610 40.610 42.760 -2.150 19568 1114 1 5 . 1 1 11 11 ASP H H 11 7.978 7.978 7.346 0.632 19568 1115 1 5 . 1 1 12 12 VAL N N 12 118.837 118.837 125.886 -7.049 19568 1116 1 5 . 1 1 12 12 VAL CA C 12 59.819 59.819 58.077 1.742 19568 1117 1 5 . 1 1 12 12 VAL H H 12 7.780 7.780 8.206 -0.426 19568 1118 1 5 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.683 -0.603 19568 1119 1 5 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.884 0.489 19568 1120 1 5 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.695 -0.730 19568 1121 1 5 . 1 1 14 14 SER N N 14 117.102 117.102 117.985 -0.883 19568 1122 1 5 . 1 1 14 14 SER HA H 14 4.080 4.080 4.096 -0.016 19568 1123 1 5 . 1 1 14 14 SER CA C 14 61.149 61.149 60.425 0.724 19568 1124 1 5 . 1 1 14 14 SER H H 14 8.631 8.631 8.629 0.002 19568 1125 1 5 . 1 1 15 15 ASN N N 15 118.240 118.240 120.459 -2.219 19568 1126 1 5 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.470 0.034 19568 1127 1 5 . 1 1 15 15 ASN C C 15 176.447 176.447 177.101 -0.654 19568 1128 1 5 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.764 -0.355 19568 1129 1 5 . 1 1 15 15 ASN CB C 15 37.458 37.458 37.751 -0.293 19568 1130 1 5 . 1 1 15 15 ASN H H 15 8.500 8.500 8.408 0.092 19568 1131 1 5 . 1 1 16 16 ILE N N 16 118.674 118.674 119.227 -0.553 19568 1132 1 5 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.873 0.112 19568 1133 1 5 . 1 1 16 16 ILE C C 16 176.784 176.784 176.839 -0.055 19568 1134 1 5 . 1 1 16 16 ILE CA C 16 62.338 62.338 64.066 -1.728 19568 1135 1 5 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.901 -0.256 19568 1136 1 5 . 1 1 16 16 ILE H H 16 7.499 7.499 7.706 -0.207 19568 1137 1 5 . 1 1 17 17 ALA N N 17 123.146 123.146 122.296 0.850 19568 1138 1 5 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.117 -0.211 19568 1139 1 5 . 1 1 17 17 ALA C C 17 178.295 178.295 179.078 -0.783 19568 1140 1 5 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.882 0.385 19568 1141 1 5 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.257 0.281 19568 1142 1 5 . 1 1 17 17 ALA H H 17 8.154 8.154 7.960 0.194 19568 1143 1 5 . 1 1 18 18 LYS N N 18 113.996 113.996 119.136 -5.140 19568 1144 1 5 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.230 -0.281 19568 1145 1 5 . 1 1 18 18 LYS C C 18 177.195 177.195 178.078 -0.883 19568 1146 1 5 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.607 0.800 19568 1147 1 5 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.803 -0.016 19568 1148 1 5 . 1 1 18 18 LYS H H 18 7.867 7.867 7.562 0.305 19568 1149 1 5 . 1 1 19 19 ILE N N 19 115.051 115.051 119.637 -4.586 19568 1150 1 5 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.860 0.190 19568 1151 1 5 . 1 1 19 19 ILE C C 19 175.727 175.727 177.280 -1.553 19568 1152 1 5 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.013 -1.101 19568 1153 1 5 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.383 0.329 19568 1154 1 5 . 1 1 19 19 ILE H H 19 7.395 7.395 7.594 -0.199 19568 1155 1 5 . 1 1 20 20 ILE N N 20 113.857 113.857 120.151 -6.294 19568 1156 1 5 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.645 -1.222 19568 1157 1 5 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.316 0.556 19568 1158 1 5 . 1 1 20 20 ILE H H 20 7.468 7.468 7.481 -0.013 19568 1159 1 5 . 1 1 21 21 ILE HA H 21 3.863 3.863 3.935 -0.072 19568 1160 1 5 . 1 1 21 21 ILE C C 21 176.210 176.210 177.750 -1.540 19568 1161 1 5 . 1 1 21 21 ILE CA C 21 64.096 64.096 64.424 -0.328 19568 1162 1 5 . 1 1 22 22 GLY N N 22 106.975 106.975 109.623 -2.648 19568 1163 1 5 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.527 -0.288 19568 1164 1 5 . 1 1 22 22 GLY H H 22 8.473 8.473 7.780 0.693 19568 1165 1 5 . 1 1 23 23 PRO C C 23 177.086 177.086 178.434 -1.348 19568 1166 1 5 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.502 0.375 19568 1167 1 5 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.360 0.702 19568 1168 1 5 . 1 1 24 24 LEU N N 24 115.805 115.805 118.277 -2.472 19568 1169 1 5 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.177 -0.090 19568 1170 1 5 . 1 1 24 24 LEU C C 24 178.191 178.191 178.986 -0.795 19568 1171 1 5 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.826 0.656 19568 1172 1 5 . 1 1 24 24 LEU CB C 24 41.967 41.967 41.885 0.082 19568 1173 1 5 . 1 1 24 24 LEU H H 24 7.855 7.855 7.661 0.194 19568 1174 1 5 . 1 1 25 25 ILE N N 25 118.715 118.715 120.509 -1.794 19568 1175 1 5 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.688 0.035 19568 1176 1 5 . 1 1 25 25 ILE C C 25 177.615 177.615 178.401 -0.786 19568 1177 1 5 . 1 1 25 25 ILE CA C 25 65.390 65.390 64.944 0.446 19568 1178 1 5 . 1 1 25 25 ILE CB C 25 37.068 37.068 36.818 0.250 19568 1179 1 5 . 1 1 25 25 ILE H H 25 8.373 8.373 8.597 -0.224 19568 1180 1 5 . 1 1 26 26 PHE N N 26 118.782 118.782 119.590 -0.808 19568 1181 1 5 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.173 -0.191 19568 1182 1 5 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.434 0.069 19568 1183 1 5 . 1 1 26 26 PHE CB C 26 39.069 39.069 37.988 1.081 19568 1184 1 5 . 1 1 26 26 PHE H H 26 8.191 8.191 7.907 0.284 19568 1185 1 5 . 1 1 27 27 VAL N N 27 118.263 118.263 119.440 -1.177 19568 1186 1 5 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.626 -0.164 19568 1187 1 5 . 1 1 27 27 VAL C C 27 178.431 178.431 177.752 0.679 19568 1188 1 5 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.226 1.014 19568 1189 1 5 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.395 -0.288 19568 1190 1 5 . 1 1 27 27 VAL H H 27 8.530 8.530 7.858 0.672 19568 1191 1 5 . 1 1 28 28 PHE N N 28 122.020 122.020 121.148 0.872 19568 1192 1 5 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.239 -0.074 19568 1193 1 5 . 1 1 28 28 PHE C C 28 176.323 176.323 177.524 -1.201 19568 1194 1 5 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.560 -0.822 19568 1195 1 5 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.340 -0.158 19568 1196 1 5 . 1 1 28 28 PHE H H 28 8.572 8.572 8.373 0.199 19568 1197 1 5 . 1 1 29 29 LEU N N 29 118.508 118.508 119.587 -1.079 19568 1198 1 5 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.085 -0.373 19568 1199 1 5 . 1 1 29 29 LEU C C 29 178.103 178.103 179.325 -1.222 19568 1200 1 5 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.060 0.111 19568 1201 1 5 . 1 1 29 29 LEU CB C 29 41.995 41.995 40.892 1.103 19568 1202 1 5 . 1 1 29 29 LEU H H 29 8.631 8.631 8.452 0.179 19568 1203 1 5 . 1 1 30 30 PHE N N 30 117.713 117.713 119.154 -1.441 19568 1204 1 5 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.216 -0.357 19568 1205 1 5 . 1 1 30 30 PHE CA C 30 61.654 61.654 60.523 1.131 19568 1206 1 5 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.298 0.557 19568 1207 1 5 . 1 1 30 30 PHE H H 30 8.701 8.701 8.263 0.438 19568 1208 1 5 . 1 1 31 31 SER N N 31 115.131 115.131 115.749 -0.618 19568 1209 1 5 . 1 1 31 31 SER HA H 31 3.933 3.933 4.184 -0.251 19568 1210 1 5 . 1 1 31 31 SER C C 31 175.646 175.646 176.892 -1.246 19568 1211 1 5 . 1 1 31 31 SER CA C 31 63.631 63.631 61.678 1.954 19568 1212 1 5 . 1 1 31 31 SER CB C 31 62.767 62.767 63.016 -0.249 19568 1213 1 5 . 1 1 31 31 SER H H 31 8.137 8.137 8.345 -0.208 19568 1214 1 5 . 1 1 32 32 VAL N N 32 120.892 120.892 121.815 -0.923 19568 1215 1 5 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.606 -0.145 19568 1216 1 5 . 1 1 32 32 VAL C C 32 178.552 178.552 177.910 0.642 19568 1217 1 5 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.248 0.149 19568 1218 1 5 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.283 0.069 19568 1219 1 5 . 1 1 32 32 VAL H H 32 7.820 7.820 7.874 -0.054 19568 1220 1 5 . 1 1 33 33 VAL N N 33 121.892 121.892 120.391 1.501 19568 1221 1 5 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.639 -0.236 19568 1222 1 5 . 1 1 33 33 VAL C C 33 177.129 177.129 178.254 -1.125 19568 1223 1 5 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.420 1.282 19568 1224 1 5 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.223 0.182 19568 1225 1 5 . 1 1 33 33 VAL H H 33 8.061 8.061 7.440 0.621 19568 1226 1 5 . 1 1 34 34 ILE N N 34 117.742 117.742 119.088 -1.346 19568 1227 1 5 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.642 -0.076 19568 1228 1 5 . 1 1 34 34 ILE C C 34 178.041 178.041 178.297 -0.256 19568 1229 1 5 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.739 -0.399 19568 1230 1 5 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.999 -0.570 19568 1231 1 5 . 1 1 34 34 ILE H H 34 8.285 8.285 7.998 0.287 19568 1232 1 5 . 1 1 35 35 GLY N N 35 107.221 107.221 108.595 -1.374 19568 1233 1 5 . 1 1 35 35 GLY C C 35 174.842 174.842 175.843 -1.001 19568 1234 1 5 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.138 0.558 19568 1235 1 5 . 1 1 35 35 GLY H H 35 8.676 8.676 7.774 0.902 19568 1236 1 5 . 1 1 36 36 SER N N 36 117.895 117.895 117.103 0.792 19568 1237 1 5 . 1 1 36 36 SER HA H 36 4.080 4.080 4.281 -0.201 19568 1238 1 5 . 1 1 36 36 SER C C 36 175.749 175.749 176.671 -0.922 19568 1239 1 5 . 1 1 36 36 SER CA C 36 63.895 63.895 60.992 2.903 19568 1240 1 5 . 1 1 36 36 SER CB C 36 63.038 63.038 63.173 -0.135 19568 1241 1 5 . 1 1 36 36 SER H H 36 8.185 8.185 7.679 0.506 19568 1242 1 5 . 1 1 37 37 ILE N N 37 122.412 122.412 121.590 0.822 19568 1243 1 5 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.898 -0.248 19568 1244 1 5 . 1 1 37 37 ILE C C 37 177.436 177.436 177.849 -0.413 19568 1245 1 5 . 1 1 37 37 ILE CA C 37 66.079 66.079 63.706 2.373 19568 1246 1 5 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.313 0.634 19568 1247 1 5 . 1 1 37 37 ILE H H 37 7.971 7.971 8.033 -0.062 19568 1248 1 5 . 1 1 38 38 TYR N N 38 119.517 119.517 121.947 -2.430 19568 1249 1 5 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.087 0.080 19568 1250 1 5 . 1 1 38 38 TYR C C 38 176.818 176.818 177.690 -0.872 19568 1251 1 5 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.055 0.397 19568 1252 1 5 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.029 0.237 19568 1253 1 5 . 1 1 38 38 TYR H H 38 8.450 8.450 8.053 0.397 19568 1254 1 5 . 1 1 39 39 LEU N N 39 117.459 117.459 119.470 -2.011 19568 1255 1 5 . 1 1 39 39 LEU HA H 39 3.697 3.697 4.002 -0.305 19568 1256 1 5 . 1 1 39 39 LEU C C 39 178.873 178.873 179.243 -0.370 19568 1257 1 5 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.510 -0.580 19568 1258 1 5 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.806 0.354 19568 1259 1 5 . 1 1 39 39 LEU H H 39 8.369 8.369 7.795 0.574 19568 1260 1 5 . 1 1 40 40 PHE N N 40 118.068 118.068 118.971 -0.903 19568 1261 1 5 . 1 1 40 40 PHE C C 40 177.002 177.002 177.401 -0.399 19568 1262 1 5 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.163 0.046 19568 1263 1 5 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.076 -3.509 19568 1264 1 5 . 1 1 40 40 PHE H H 40 8.317 8.317 8.283 0.034 19568 1265 1 5 . 1 1 41 41 LEU N N 41 117.738 117.738 118.229 -0.491 19568 1266 1 5 . 1 1 41 41 LEU HA H 41 3.981 3.981 3.957 0.024 19568 1267 1 5 . 1 1 41 41 LEU C C 41 177.917 177.917 177.636 0.281 19568 1268 1 5 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.209 0.533 19568 1269 1 5 . 1 1 41 41 LEU CB C 41 42.355 42.355 40.503 1.852 19568 1270 1 5 . 1 1 41 41 LEU H H 41 8.309 8.309 7.833 0.476 19568 1271 1 5 . 1 1 42 42 ARG N N 42 118.199 118.199 117.532 0.667 19568 1272 1 5 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.291 -0.280 19568 1273 1 5 . 1 1 42 42 ARG CA C 42 57.096 57.096 56.177 0.919 19568 1274 1 5 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.393 -0.518 19568 1275 1 5 . 1 1 42 42 ARG H H 42 7.957 7.957 7.417 0.540 19568 1276 1 5 . 1 1 43 43 LYS N N 43 119.027 119.027 120.300 -1.273 19568 1277 1 5 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.072 0.102 19568 1278 1 5 . 1 1 43 43 LYS C C 43 176.558 176.558 177.146 -0.588 19568 1279 1 5 . 1 1 43 43 LYS CA C 43 56.430 56.430 57.603 -1.173 19568 1280 1 5 . 1 1 43 43 LYS CB C 43 32.576 32.576 31.678 0.898 19568 1281 1 5 . 1 1 43 43 LYS H H 43 7.799 7.799 7.367 0.432 19568 1282 1 5 . 1 1 44 44 ARG N N 44 120.558 120.558 118.305 2.253 19568 1283 1 5 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.068 0.104 19568 1284 1 5 . 1 1 44 44 ARG C C 44 175.813 175.813 176.125 -0.312 19568 1285 1 5 . 1 1 44 44 ARG CA C 44 56.216 56.216 57.457 -1.241 19568 1286 1 5 . 1 1 44 44 ARG CB C 44 30.658 30.658 30.625 0.033 19568 1287 1 5 . 1 1 44 44 ARG H H 44 7.727 7.727 8.079 -0.352 19568 1288 1 5 . 1 1 45 45 GLN N N 45 122.179 122.179 117.037 5.142 19568 1289 1 5 . 1 1 45 45 GLN C C 45 173.795 173.795 173.651 0.144 19568 1290 1 5 . 1 1 45 45 GLN CA C 45 53.615 53.615 52.773 0.842 19568 1291 1 5 . 1 1 45 45 GLN CB C 45 29.002 29.002 28.152 0.850 19568 1292 1 5 . 1 1 45 45 GLN H H 45 8.141 8.141 7.602 0.539 19568 1293 1 5 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.227 0.155 19568 1294 1 5 . 1 1 46 46 PRO C C 46 176.477 176.477 177.323 -0.846 19568 1295 1 5 . 1 1 46 46 PRO CA C 46 63.247 63.247 62.892 0.355 19568 1296 1 5 . 1 1 46 46 PRO CB C 46 32.072 32.072 32.153 -0.081 19568 1297 1 5 . 1 1 47 47 ASP N N 47 120.424 120.424 121.769 -1.345 19568 1298 1 5 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.384 0.202 19568 1299 1 5 . 1 1 47 47 ASP C C 47 176.316 176.316 176.214 0.102 19568 1300 1 5 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.980 0.376 19568 1301 1 5 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.856 1.691 19568 1302 1 5 . 1 1 47 47 ASP H H 47 8.333 8.333 8.547 -0.214 19568 1303 1 5 . 1 1 48 48 GLY N N 48 108.892 108.892 108.835 0.057 19568 1304 1 5 . 1 1 48 48 GLY C C 48 171.778 171.778 172.942 -1.164 19568 1305 1 5 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.227 0.403 19568 1306 1 5 . 1 1 48 48 GLY H H 48 8.063 8.063 8.193 -0.130 19568 1307 1 5 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.556 -0.185 19568 1308 1 5 . 1 1 49 49 PRO C C 49 177.077 177.077 176.270 0.807 19568 1309 1 5 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.403 0.832 19568 1310 1 5 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.450 -0.302 19568 1311 1 5 . 1 1 50 50 LEU N N 50 121.757 121.757 114.111 7.646 19568 1312 1 5 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.678 -0.433 19568 1313 1 5 . 1 1 50 50 LEU C C 50 177.320 177.320 177.055 0.265 19568 1314 1 5 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.134 1.130 19568 1315 1 5 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.099 1.149 19568 1316 1 5 . 1 1 50 50 LEU H H 50 8.263 8.263 8.061 0.202 19568 1317 1 5 . 1 1 51 51 GLU N N 51 121.007 121.007 122.142 -1.135 19568 1318 1 5 . 1 1 51 51 GLU CA C 51 56.531 56.531 58.862 -2.331 19568 1319 1 5 . 1 1 51 51 GLU CB C 51 30.370 30.370 29.774 0.596 19568 1320 1 5 . 1 1 51 51 GLU H H 51 8.166 8.166 8.719 -0.553 19568 1321 1 6 . 1 1 2 2 THR N N 2 113.734 113.734 115.119 -1.385 19568 1322 1 6 . 1 1 2 2 THR HA H 2 4.076 4.076 4.573 -0.497 19568 1323 1 6 . 1 1 2 2 THR C C 2 174.729 174.729 175.899 -1.170 19568 1324 1 6 . 1 1 2 2 THR CA C 2 63.234 63.234 63.005 0.229 19568 1325 1 6 . 1 1 2 2 THR CB C 2 69.247 69.247 68.962 0.285 19568 1326 1 6 . 1 1 2 2 THR H H 2 8.100 8.100 8.023 0.077 19568 1327 1 6 . 1 1 3 3 TYR N N 3 119.785 119.785 123.393 -3.608 19568 1328 1 6 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.349 -0.110 19568 1329 1 6 . 1 1 3 3 TYR C C 3 175.468 175.468 177.474 -2.006 19568 1330 1 6 . 1 1 3 3 TYR CA C 3 59.361 59.361 58.818 0.543 19568 1331 1 6 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.880 0.656 19568 1332 1 6 . 1 1 3 3 TYR H H 3 7.911 7.911 8.324 -0.413 19568 1333 1 6 . 1 1 4 4 PHE N N 4 117.223 117.223 119.272 -2.049 19568 1334 1 6 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.111 0.329 19568 1335 1 6 . 1 1 4 4 PHE C C 4 174.872 174.872 177.355 -2.483 19568 1336 1 6 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.562 -2.969 19568 1337 1 6 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.562 0.658 19568 1338 1 6 . 1 1 4 4 PHE H H 4 7.634 7.634 8.523 -0.889 19568 1339 1 6 . 1 1 5 5 TYR N N 5 118.715 118.715 118.047 0.668 19568 1340 1 6 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.269 0.270 19568 1341 1 6 . 1 1 5 5 TYR C C 5 176.539 176.539 177.877 -1.338 19568 1342 1 6 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.460 -2.692 19568 1343 1 6 . 1 1 5 5 TYR CB C 5 38.267 38.267 39.163 -0.896 19568 1344 1 6 . 1 1 5 5 TYR H H 5 7.877 7.877 7.918 -0.041 19568 1345 1 6 . 1 1 6 6 VAL N N 6 118.275 118.275 119.099 -0.824 19568 1346 1 6 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.574 0.360 19568 1347 1 6 . 1 1 6 6 VAL C C 6 176.487 176.487 178.033 -1.546 19568 1348 1 6 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.567 -1.105 19568 1349 1 6 . 1 1 6 6 VAL CB C 6 31.983 31.983 30.726 1.257 19568 1350 1 6 . 1 1 6 6 VAL H H 6 7.930 7.930 7.955 -0.025 19568 1351 1 6 . 1 1 7 7 THR N N 7 111.175 111.175 113.289 -2.114 19568 1352 1 6 . 1 1 7 7 THR HA H 7 4.212 4.212 4.126 0.086 19568 1353 1 6 . 1 1 7 7 THR C C 7 175.536 175.536 175.477 0.059 19568 1354 1 6 . 1 1 7 7 THR CA C 7 64.289 64.289 65.146 -0.857 19568 1355 1 6 . 1 1 7 7 THR CB C 7 68.479 68.479 68.194 0.285 19568 1356 1 6 . 1 1 7 7 THR H H 7 7.814 7.814 8.524 -0.710 19568 1357 1 6 . 1 1 8 8 ASP N N 8 121.151 121.151 121.574 -0.423 19568 1358 1 6 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.468 -0.022 19568 1359 1 6 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.260 -0.243 19568 1360 1 6 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.588 0.107 19568 1361 1 6 . 1 1 8 8 ASP H H 8 8.006 8.006 7.859 0.147 19568 1362 1 6 . 1 1 9 9 TYR N N 9 117.806 117.806 119.832 -2.026 19568 1363 1 6 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.237 0.104 19568 1364 1 6 . 1 1 9 9 TYR C C 9 176.025 176.025 176.863 -0.838 19568 1365 1 6 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.559 -1.034 19568 1366 1 6 . 1 1 9 9 TYR CB C 9 39.333 39.333 39.059 0.274 19568 1367 1 6 . 1 1 9 9 TYR H H 9 7.726 7.726 7.454 0.272 19568 1368 1 6 . 1 1 10 10 LEU N N 10 116.985 116.985 118.920 -1.935 19568 1369 1 6 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.362 -0.085 19568 1370 1 6 . 1 1 10 10 LEU C C 10 175.391 175.391 176.068 -0.677 19568 1371 1 6 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.755 -0.062 19568 1372 1 6 . 1 1 10 10 LEU CB C 10 43.009 43.009 40.768 2.241 19568 1373 1 6 . 1 1 10 10 LEU H H 10 7.514 7.514 7.780 -0.266 19568 1374 1 6 . 1 1 11 11 ASP N N 11 120.049 120.049 120.009 0.040 19568 1375 1 6 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.680 -0.164 19568 1376 1 6 . 1 1 11 11 ASP CA C 11 53.877 53.877 52.723 1.154 19568 1377 1 6 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.639 -3.029 19568 1378 1 6 . 1 1 11 11 ASP H H 11 7.978 7.978 7.310 0.668 19568 1379 1 6 . 1 1 12 12 VAL N N 12 118.837 118.837 125.421 -6.584 19568 1380 1 6 . 1 1 12 12 VAL CA C 12 59.819 59.819 60.413 -0.594 19568 1381 1 6 . 1 1 12 12 VAL H H 12 7.780 7.780 8.222 -0.442 19568 1382 1 6 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.377 -0.297 19568 1383 1 6 . 1 1 13 13 PRO CA C 13 63.373 63.373 63.213 0.160 19568 1384 1 6 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.155 -0.190 19568 1385 1 6 . 1 1 14 14 SER N N 14 117.102 117.102 118.947 -1.845 19568 1386 1 6 . 1 1 14 14 SER HA H 14 4.080 4.080 4.104 -0.024 19568 1387 1 6 . 1 1 14 14 SER CA C 14 61.149 61.149 59.766 1.383 19568 1388 1 6 . 1 1 14 14 SER H H 14 8.631 8.631 8.916 -0.285 19568 1389 1 6 . 1 1 15 15 ASN N N 15 118.240 118.240 120.410 -2.170 19568 1390 1 6 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.452 0.053 19568 1391 1 6 . 1 1 15 15 ASN C C 15 176.447 176.447 176.822 -0.375 19568 1392 1 6 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.971 -0.562 19568 1393 1 6 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.185 -0.727 19568 1394 1 6 . 1 1 15 15 ASN H H 15 8.500 8.500 8.244 0.256 19568 1395 1 6 . 1 1 16 16 ILE N N 16 118.674 118.674 119.413 -0.739 19568 1396 1 6 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.900 0.085 19568 1397 1 6 . 1 1 16 16 ILE C C 16 176.784 176.784 176.764 0.020 19568 1398 1 6 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.624 -1.286 19568 1399 1 6 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.702 -0.057 19568 1400 1 6 . 1 1 16 16 ILE H H 16 7.499 7.499 7.633 -0.134 19568 1401 1 6 . 1 1 17 17 ALA N N 17 123.146 123.146 122.472 0.674 19568 1402 1 6 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.121 -0.215 19568 1403 1 6 . 1 1 17 17 ALA C C 17 178.295 178.295 179.000 -0.705 19568 1404 1 6 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.973 0.294 19568 1405 1 6 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.331 0.207 19568 1406 1 6 . 1 1 17 17 ALA H H 17 8.154 8.154 8.124 0.030 19568 1407 1 6 . 1 1 18 18 LYS N N 18 113.996 113.996 119.103 -5.107 19568 1408 1 6 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.230 -0.281 19568 1409 1 6 . 1 1 18 18 LYS C C 18 177.195 177.195 178.078 -0.883 19568 1410 1 6 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.669 0.738 19568 1411 1 6 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.058 -0.271 19568 1412 1 6 . 1 1 18 18 LYS H H 18 7.867 7.867 7.503 0.364 19568 1413 1 6 . 1 1 19 19 ILE N N 19 115.051 115.051 119.271 -4.220 19568 1414 1 6 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.851 0.199 19568 1415 1 6 . 1 1 19 19 ILE C C 19 175.727 175.727 177.561 -1.834 19568 1416 1 6 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.898 -0.986 19568 1417 1 6 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.237 0.475 19568 1418 1 6 . 1 1 19 19 ILE H H 19 7.395 7.395 7.713 -0.318 19568 1419 1 6 . 1 1 20 20 ILE N N 20 113.857 113.857 120.140 -6.283 19568 1420 1 6 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.725 -1.302 19568 1421 1 6 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.256 0.616 19568 1422 1 6 . 1 1 20 20 ILE H H 20 7.468 7.468 7.512 -0.044 19568 1423 1 6 . 1 1 21 21 ILE HA H 21 3.863 3.863 3.947 -0.084 19568 1424 1 6 . 1 1 21 21 ILE C C 21 176.210 176.210 177.966 -1.756 19568 1425 1 6 . 1 1 21 21 ILE CA C 21 64.096 64.096 64.271 -0.175 19568 1426 1 6 . 1 1 22 22 GLY N N 22 106.975 106.975 109.445 -2.470 19568 1427 1 6 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.524 -0.285 19568 1428 1 6 . 1 1 22 22 GLY H H 22 8.473 8.473 8.069 0.404 19568 1429 1 6 . 1 1 23 23 PRO C C 23 177.086 177.086 178.078 -0.992 19568 1430 1 6 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.173 0.704 19568 1431 1 6 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.388 0.674 19568 1432 1 6 . 1 1 24 24 LEU N N 24 115.805 115.805 118.831 -3.026 19568 1433 1 6 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.263 -0.176 19568 1434 1 6 . 1 1 24 24 LEU C C 24 178.191 178.191 178.364 -0.173 19568 1435 1 6 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.512 0.970 19568 1436 1 6 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.272 -0.305 19568 1437 1 6 . 1 1 24 24 LEU H H 24 7.855 7.855 8.155 -0.300 19568 1438 1 6 . 1 1 25 25 ILE N N 25 118.715 118.715 120.611 -1.896 19568 1439 1 6 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.725 -0.002 19568 1440 1 6 . 1 1 25 25 ILE C C 25 177.615 177.615 178.421 -0.806 19568 1441 1 6 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.543 -0.153 19568 1442 1 6 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.529 -0.461 19568 1443 1 6 . 1 1 25 25 ILE H H 25 8.373 8.373 8.449 -0.076 19568 1444 1 6 . 1 1 26 26 PHE N N 26 118.782 118.782 118.576 0.206 19568 1445 1 6 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.320 -0.338 19568 1446 1 6 . 1 1 26 26 PHE CA C 26 62.503 62.503 61.202 1.301 19568 1447 1 6 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.021 1.048 19568 1448 1 6 . 1 1 26 26 PHE H H 26 8.191 8.191 8.010 0.181 19568 1449 1 6 . 1 1 27 27 VAL N N 27 118.263 118.263 119.703 -1.440 19568 1450 1 6 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.695 -0.233 19568 1451 1 6 . 1 1 27 27 VAL C C 27 178.431 178.431 178.227 0.204 19568 1452 1 6 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.602 0.638 19568 1453 1 6 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.357 -0.251 19568 1454 1 6 . 1 1 27 27 VAL H H 27 8.530 8.530 7.611 0.919 19568 1455 1 6 . 1 1 28 28 PHE N N 28 122.020 122.020 120.826 1.194 19568 1456 1 6 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.315 -0.150 19568 1457 1 6 . 1 1 28 28 PHE C C 28 176.323 176.323 177.822 -1.499 19568 1458 1 6 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.322 -0.584 19568 1459 1 6 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.038 0.144 19568 1460 1 6 . 1 1 28 28 PHE H H 28 8.572 8.572 8.294 0.278 19568 1461 1 6 . 1 1 29 29 LEU N N 29 118.508 118.508 119.948 -1.440 19568 1462 1 6 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.043 -0.331 19568 1463 1 6 . 1 1 29 29 LEU C C 29 178.103 178.103 178.686 -0.583 19568 1464 1 6 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.715 0.456 19568 1465 1 6 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.993 0.002 19568 1466 1 6 . 1 1 29 29 LEU H H 29 8.631 8.631 7.874 0.757 19568 1467 1 6 . 1 1 30 30 PHE N N 30 117.713 117.713 120.313 -2.600 19568 1468 1 6 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.181 -0.322 19568 1469 1 6 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.499 0.154 19568 1470 1 6 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.348 -0.493 19568 1471 1 6 . 1 1 30 30 PHE H H 30 8.701 8.701 8.374 0.327 19568 1472 1 6 . 1 1 31 31 SER N N 31 115.131 115.131 115.179 -0.048 19568 1473 1 6 . 1 1 31 31 SER HA H 31 3.933 3.933 4.088 -0.155 19568 1474 1 6 . 1 1 31 31 SER C C 31 175.646 175.646 176.657 -1.011 19568 1475 1 6 . 1 1 31 31 SER CA C 31 63.631 63.631 61.697 1.934 19568 1476 1 6 . 1 1 31 31 SER CB C 31 62.767 62.767 62.751 0.016 19568 1477 1 6 . 1 1 31 31 SER H H 31 8.137 8.137 8.504 -0.367 19568 1478 1 6 . 1 1 32 32 VAL N N 32 120.892 120.892 121.316 -0.424 19568 1479 1 6 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.768 -0.307 19568 1480 1 6 . 1 1 32 32 VAL C C 32 178.552 178.552 177.462 1.090 19568 1481 1 6 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.117 0.280 19568 1482 1 6 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.577 -0.225 19568 1483 1 6 . 1 1 32 32 VAL H H 32 7.820 7.820 7.701 0.119 19568 1484 1 6 . 1 1 33 33 VAL N N 33 121.892 121.892 120.831 1.061 19568 1485 1 6 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.671 -0.268 19568 1486 1 6 . 1 1 33 33 VAL C C 33 177.129 177.129 178.378 -1.249 19568 1487 1 6 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.432 1.270 19568 1488 1 6 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.325 0.080 19568 1489 1 6 . 1 1 33 33 VAL H H 33 8.061 8.061 7.364 0.697 19568 1490 1 6 . 1 1 34 34 ILE N N 34 117.742 117.742 118.633 -0.891 19568 1491 1 6 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.767 -0.201 19568 1492 1 6 . 1 1 34 34 ILE C C 34 178.041 178.041 177.665 0.376 19568 1493 1 6 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.746 0.594 19568 1494 1 6 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.358 -0.929 19568 1495 1 6 . 1 1 34 34 ILE H H 34 8.285 8.285 7.468 0.817 19568 1496 1 6 . 1 1 35 35 GLY N N 35 107.221 107.221 108.512 -1.291 19568 1497 1 6 . 1 1 35 35 GLY C C 35 174.842 174.842 176.080 -1.238 19568 1498 1 6 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.106 0.590 19568 1499 1 6 . 1 1 35 35 GLY H H 35 8.676 8.676 7.711 0.965 19568 1500 1 6 . 1 1 36 36 SER N N 36 117.895 117.895 118.139 -0.244 19568 1501 1 6 . 1 1 36 36 SER HA H 36 4.080 4.080 4.239 -0.159 19568 1502 1 6 . 1 1 36 36 SER C C 36 175.749 175.749 176.569 -0.820 19568 1503 1 6 . 1 1 36 36 SER CA C 36 63.895 63.895 61.225 2.670 19568 1504 1 6 . 1 1 36 36 SER CB C 36 63.038 63.038 63.154 -0.116 19568 1505 1 6 . 1 1 36 36 SER H H 36 8.185 8.185 8.092 0.093 19568 1506 1 6 . 1 1 37 37 ILE N N 37 122.412 122.412 121.893 0.519 19568 1507 1 6 . 1 1 37 37 ILE HA H 37 3.650 3.650 4.049 -0.399 19568 1508 1 6 . 1 1 37 37 ILE C C 37 177.436 177.436 177.750 -0.314 19568 1509 1 6 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.313 1.766 19568 1510 1 6 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.233 -0.286 19568 1511 1 6 . 1 1 37 37 ILE H H 37 7.971 7.971 7.772 0.199 19568 1512 1 6 . 1 1 38 38 TYR N N 38 119.517 119.517 120.494 -0.977 19568 1513 1 6 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.125 0.042 19568 1514 1 6 . 1 1 38 38 TYR C C 38 176.818 176.818 178.063 -1.245 19568 1515 1 6 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.203 0.249 19568 1516 1 6 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.158 0.108 19568 1517 1 6 . 1 1 38 38 TYR H H 38 8.450 8.450 7.881 0.569 19568 1518 1 6 . 1 1 39 39 LEU N N 39 117.459 117.459 120.389 -2.930 19568 1519 1 6 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.852 -0.155 19568 1520 1 6 . 1 1 39 39 LEU C C 39 178.873 178.873 179.091 -0.218 19568 1521 1 6 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.027 -0.097 19568 1522 1 6 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.659 0.502 19568 1523 1 6 . 1 1 39 39 LEU H H 39 8.369 8.369 7.901 0.468 19568 1524 1 6 . 1 1 40 40 PHE N N 40 118.068 118.068 117.253 0.815 19568 1525 1 6 . 1 1 40 40 PHE C C 40 177.002 177.002 178.050 -1.048 19568 1526 1 6 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.737 -0.528 19568 1527 1 6 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.502 -2.935 19568 1528 1 6 . 1 1 40 40 PHE H H 40 8.317 8.317 8.118 0.199 19568 1529 1 6 . 1 1 41 41 LEU N N 41 117.738 117.738 118.335 -0.597 19568 1530 1 6 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.148 -0.167 19568 1531 1 6 . 1 1 41 41 LEU C C 41 177.917 177.917 177.311 0.606 19568 1532 1 6 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.501 0.241 19568 1533 1 6 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.531 0.824 19568 1534 1 6 . 1 1 41 41 LEU H H 41 8.309 8.309 8.287 0.022 19568 1535 1 6 . 1 1 42 42 ARG N N 42 118.199 118.199 117.533 0.666 19568 1536 1 6 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.333 -0.322 19568 1537 1 6 . 1 1 42 42 ARG CA C 42 57.096 57.096 56.972 0.124 19568 1538 1 6 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.621 -0.746 19568 1539 1 6 . 1 1 42 42 ARG H H 42 7.957 7.957 7.576 0.381 19568 1540 1 6 . 1 1 43 43 LYS N N 43 119.027 119.027 119.961 -0.934 19568 1541 1 6 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.287 -0.113 19568 1542 1 6 . 1 1 43 43 LYS C C 43 176.558 176.558 175.338 1.220 19568 1543 1 6 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.607 0.823 19568 1544 1 6 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.135 0.441 19568 1545 1 6 . 1 1 43 43 LYS H H 43 7.799 7.799 7.392 0.407 19568 1546 1 6 . 1 1 44 44 ARG N N 44 120.558 120.558 116.899 3.659 19568 1547 1 6 . 1 1 44 44 ARG HA H 44 4.172 4.172 3.998 0.174 19568 1548 1 6 . 1 1 44 44 ARG C C 44 175.813 175.813 176.415 -0.602 19568 1549 1 6 . 1 1 44 44 ARG CA C 44 56.216 56.216 57.034 -0.818 19568 1550 1 6 . 1 1 44 44 ARG CB C 44 30.658 30.658 27.072 3.587 19568 1551 1 6 . 1 1 44 44 ARG H H 44 7.727 7.727 8.130 -0.403 19568 1552 1 6 . 1 1 45 45 GLN N N 45 122.179 122.179 119.446 2.733 19568 1553 1 6 . 1 1 45 45 GLN C C 45 173.795 173.795 176.227 -2.432 19568 1554 1 6 . 1 1 45 45 GLN CA C 45 53.615 53.615 58.299 -4.684 19568 1555 1 6 . 1 1 45 45 GLN CB C 45 29.002 29.002 28.709 0.293 19568 1556 1 6 . 1 1 45 45 GLN H H 45 8.141 8.141 8.595 -0.454 19568 1557 1 6 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.418 -0.036 19568 1558 1 6 . 1 1 46 46 PRO C C 46 176.477 176.477 176.131 0.346 19568 1559 1 6 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.002 0.245 19568 1560 1 6 . 1 1 46 46 PRO CB C 46 32.072 32.072 30.036 2.036 19568 1561 1 6 . 1 1 47 47 ASP N N 47 120.424 120.424 122.777 -2.353 19568 1562 1 6 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.472 0.114 19568 1563 1 6 . 1 1 47 47 ASP C C 47 176.316 176.316 175.781 0.535 19568 1564 1 6 . 1 1 47 47 ASP CA C 47 54.356 54.356 54.440 -0.084 19568 1565 1 6 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.661 1.886 19568 1566 1 6 . 1 1 47 47 ASP H H 47 8.333 8.333 8.180 0.153 19568 1567 1 6 . 1 1 48 48 GLY N N 48 108.892 108.892 108.264 0.628 19568 1568 1 6 . 1 1 48 48 GLY C C 48 171.778 171.778 171.951 -0.173 19568 1569 1 6 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.421 0.209 19568 1570 1 6 . 1 1 48 48 GLY H H 48 8.063 8.063 7.939 0.124 19568 1571 1 6 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.623 -0.252 19568 1572 1 6 . 1 1 49 49 PRO C C 49 177.077 177.077 176.735 0.342 19568 1573 1 6 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.509 0.726 19568 1574 1 6 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.577 -0.429 19568 1575 1 6 . 1 1 50 50 LEU N N 50 121.757 121.757 117.187 4.570 19568 1576 1 6 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.226 0.019 19568 1577 1 6 . 1 1 50 50 LEU C C 50 177.320 177.320 176.385 0.935 19568 1578 1 6 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.452 -0.188 19568 1579 1 6 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.738 0.510 19568 1580 1 6 . 1 1 50 50 LEU H H 50 8.263 8.263 7.924 0.339 19568 1581 1 6 . 1 1 51 51 GLU N N 51 121.007 121.007 119.847 1.160 19568 1582 1 6 . 1 1 51 51 GLU CA C 51 56.531 56.531 56.090 0.441 19568 1583 1 6 . 1 1 51 51 GLU CB C 51 30.370 30.370 29.502 0.868 19568 1584 1 6 . 1 1 51 51 GLU H H 51 8.166 8.166 8.012 0.154 19568 1585 1 7 . 1 1 2 2 THR N N 2 113.734 113.734 116.994 -3.260 19568 1586 1 7 . 1 1 2 2 THR HA H 2 4.076 4.076 4.383 -0.307 19568 1587 1 7 . 1 1 2 2 THR C C 2 174.729 174.729 175.189 -0.460 19568 1588 1 7 . 1 1 2 2 THR CA C 2 63.234 63.234 62.485 0.749 19568 1589 1 7 . 1 1 2 2 THR CB C 2 69.247 69.247 69.039 0.208 19568 1590 1 7 . 1 1 2 2 THR H H 2 8.100 8.100 8.147 -0.047 19568 1591 1 7 . 1 1 3 3 TYR N N 3 119.785 119.785 120.517 -0.732 19568 1592 1 7 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.231 0.008 19568 1593 1 7 . 1 1 3 3 TYR C C 3 175.468 175.468 175.463 0.005 19568 1594 1 7 . 1 1 3 3 TYR CA C 3 59.361 59.361 59.872 -0.511 19568 1595 1 7 . 1 1 3 3 TYR CB C 3 38.536 38.536 38.179 0.357 19568 1596 1 7 . 1 1 3 3 TYR H H 3 7.911 7.911 8.368 -0.457 19568 1597 1 7 . 1 1 4 4 PHE N N 4 117.223 117.223 118.585 -1.362 19568 1598 1 7 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.229 0.211 19568 1599 1 7 . 1 1 4 4 PHE C C 4 174.872 174.872 177.198 -2.326 19568 1600 1 7 . 1 1 4 4 PHE CA C 4 58.593 58.593 62.207 -3.614 19568 1601 1 7 . 1 1 4 4 PHE CB C 4 39.220 39.220 39.381 -0.161 19568 1602 1 7 . 1 1 4 4 PHE H H 4 7.634 7.634 7.714 -0.080 19568 1603 1 7 . 1 1 5 5 TYR N N 5 118.715 118.715 118.762 -0.047 19568 1604 1 7 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.572 -0.033 19568 1605 1 7 . 1 1 5 5 TYR C C 5 176.539 176.539 178.328 -1.789 19568 1606 1 7 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.514 -2.747 19568 1607 1 7 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.233 0.034 19568 1608 1 7 . 1 1 5 5 TYR H H 5 7.877 7.877 8.109 -0.232 19568 1609 1 7 . 1 1 6 6 VAL N N 6 118.275 118.275 115.080 3.195 19568 1610 1 7 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.845 0.089 19568 1611 1 7 . 1 1 6 6 VAL C C 6 176.487 176.487 176.746 -0.259 19568 1612 1 7 . 1 1 6 6 VAL CA C 6 64.462 64.462 64.665 -0.203 19568 1613 1 7 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.496 0.487 19568 1614 1 7 . 1 1 6 6 VAL H H 6 7.930 7.930 7.650 0.280 19568 1615 1 7 . 1 1 7 7 THR N N 7 111.175 111.175 115.215 -4.040 19568 1616 1 7 . 1 1 7 7 THR HA H 7 4.212 4.212 4.236 -0.024 19568 1617 1 7 . 1 1 7 7 THR C C 7 175.536 175.536 176.071 -0.535 19568 1618 1 7 . 1 1 7 7 THR CA C 7 64.289 64.289 65.654 -1.365 19568 1619 1 7 . 1 1 7 7 THR CB C 7 68.479 68.479 69.350 -0.871 19568 1620 1 7 . 1 1 7 7 THR H H 7 7.814 7.814 7.655 0.159 19568 1621 1 7 . 1 1 8 8 ASP N N 8 121.151 121.151 122.596 -1.445 19568 1622 1 7 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.245 0.201 19568 1623 1 7 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.566 -0.549 19568 1624 1 7 . 1 1 8 8 ASP CB C 8 40.695 40.695 39.476 1.219 19568 1625 1 7 . 1 1 8 8 ASP H H 8 8.006 8.006 8.306 -0.300 19568 1626 1 7 . 1 1 9 9 TYR N N 9 117.806 117.806 120.700 -2.894 19568 1627 1 7 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.230 0.111 19568 1628 1 7 . 1 1 9 9 TYR C C 9 176.025 176.025 176.159 -0.134 19568 1629 1 7 . 1 1 9 9 TYR CA C 9 59.525 59.525 59.970 -0.445 19568 1630 1 7 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.620 0.713 19568 1631 1 7 . 1 1 9 9 TYR H H 9 7.726 7.726 7.592 0.134 19568 1632 1 7 . 1 1 10 10 LEU N N 10 116.985 116.985 120.033 -3.048 19568 1633 1 7 . 1 1 10 10 LEU HA H 10 4.277 4.277 3.973 0.304 19568 1634 1 7 . 1 1 10 10 LEU C C 10 175.391 175.391 175.232 0.159 19568 1635 1 7 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.031 0.662 19568 1636 1 7 . 1 1 10 10 LEU CB C 10 43.009 43.009 40.996 2.013 19568 1637 1 7 . 1 1 10 10 LEU H H 10 7.514 7.514 7.231 0.283 19568 1638 1 7 . 1 1 11 11 ASP N N 11 120.049 120.049 120.487 -0.438 19568 1639 1 7 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.720 -0.204 19568 1640 1 7 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.511 0.366 19568 1641 1 7 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.052 -2.442 19568 1642 1 7 . 1 1 11 11 ASP H H 11 7.978 7.978 7.223 0.755 19568 1643 1 7 . 1 1 12 12 VAL N N 12 118.837 118.837 123.848 -5.011 19568 1644 1 7 . 1 1 12 12 VAL CA C 12 59.819 59.819 59.460 0.359 19568 1645 1 7 . 1 1 12 12 VAL H H 12 7.780 7.780 8.102 -0.322 19568 1646 1 7 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.654 -0.574 19568 1647 1 7 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.659 0.714 19568 1648 1 7 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.580 -0.615 19568 1649 1 7 . 1 1 14 14 SER N N 14 117.102 117.102 118.288 -1.186 19568 1650 1 7 . 1 1 14 14 SER HA H 14 4.080 4.080 4.157 -0.077 19568 1651 1 7 . 1 1 14 14 SER CA C 14 61.149 61.149 60.440 0.709 19568 1652 1 7 . 1 1 14 14 SER H H 14 8.631 8.631 8.841 -0.210 19568 1653 1 7 . 1 1 15 15 ASN N N 15 118.240 118.240 121.057 -2.817 19568 1654 1 7 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.419 0.085 19568 1655 1 7 . 1 1 15 15 ASN C C 15 176.447 176.447 177.080 -0.633 19568 1656 1 7 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.746 -0.337 19568 1657 1 7 . 1 1 15 15 ASN CB C 15 37.458 37.458 37.558 -0.100 19568 1658 1 7 . 1 1 15 15 ASN H H 15 8.500 8.500 8.110 0.390 19568 1659 1 7 . 1 1 16 16 ILE N N 16 118.674 118.674 118.779 -0.105 19568 1660 1 7 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.951 0.034 19568 1661 1 7 . 1 1 16 16 ILE C C 16 176.784 176.784 177.085 -0.301 19568 1662 1 7 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.701 -1.363 19568 1663 1 7 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.432 0.213 19568 1664 1 7 . 1 1 16 16 ILE H H 16 7.499 7.499 7.727 -0.228 19568 1665 1 7 . 1 1 17 17 ALA N N 17 123.146 123.146 122.915 0.231 19568 1666 1 7 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.140 -0.234 19568 1667 1 7 . 1 1 17 17 ALA C C 17 178.295 178.295 179.479 -1.184 19568 1668 1 7 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.924 0.343 19568 1669 1 7 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.307 0.231 19568 1670 1 7 . 1 1 17 17 ALA H H 17 8.154 8.154 8.169 -0.015 19568 1671 1 7 . 1 1 18 18 LYS N N 18 113.996 113.996 118.977 -4.981 19568 1672 1 7 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.278 -0.329 19568 1673 1 7 . 1 1 18 18 LYS C C 18 177.195 177.195 178.112 -0.917 19568 1674 1 7 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.188 1.219 19568 1675 1 7 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.986 -0.199 19568 1676 1 7 . 1 1 18 18 LYS H H 18 7.867 7.867 7.573 0.294 19568 1677 1 7 . 1 1 19 19 ILE N N 19 115.051 115.051 119.322 -4.271 19568 1678 1 7 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.914 0.136 19568 1679 1 7 . 1 1 19 19 ILE C C 19 175.727 175.727 177.510 -1.783 19568 1680 1 7 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.975 -1.063 19568 1681 1 7 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.385 0.327 19568 1682 1 7 . 1 1 19 19 ILE H H 19 7.395 7.395 7.537 -0.142 19568 1683 1 7 . 1 1 20 20 ILE N N 20 113.857 113.857 120.009 -6.152 19568 1684 1 7 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.677 -1.254 19568 1685 1 7 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.330 0.542 19568 1686 1 7 . 1 1 20 20 ILE H H 20 7.468 7.468 7.697 -0.229 19568 1687 1 7 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.109 -0.246 19568 1688 1 7 . 1 1 21 21 ILE C C 21 176.210 176.210 178.050 -1.840 19568 1689 1 7 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.983 1.113 19568 1690 1 7 . 1 1 22 22 GLY N N 22 106.975 106.975 109.908 -2.933 19568 1691 1 7 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.550 -0.311 19568 1692 1 7 . 1 1 22 22 GLY H H 22 8.473 8.473 7.892 0.581 19568 1693 1 7 . 1 1 23 23 PRO C C 23 177.086 177.086 178.278 -1.192 19568 1694 1 7 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.369 0.508 19568 1695 1 7 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.419 0.643 19568 1696 1 7 . 1 1 24 24 LEU N N 24 115.805 115.805 118.477 -2.672 19568 1697 1 7 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.255 -0.168 19568 1698 1 7 . 1 1 24 24 LEU C C 24 178.191 178.191 178.700 -0.509 19568 1699 1 7 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.791 0.691 19568 1700 1 7 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.081 -0.114 19568 1701 1 7 . 1 1 24 24 LEU H H 24 7.855 7.855 8.303 -0.448 19568 1702 1 7 . 1 1 25 25 ILE N N 25 118.715 118.715 120.716 -2.001 19568 1703 1 7 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.606 0.117 19568 1704 1 7 . 1 1 25 25 ILE C C 25 177.615 177.615 178.098 -0.483 19568 1705 1 7 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.426 -0.036 19568 1706 1 7 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.464 -0.396 19568 1707 1 7 . 1 1 25 25 ILE H H 25 8.373 8.373 8.351 0.022 19568 1708 1 7 . 1 1 26 26 PHE N N 26 118.782 118.782 120.039 -1.257 19568 1709 1 7 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.218 -0.236 19568 1710 1 7 . 1 1 26 26 PHE CA C 26 62.503 62.503 63.014 -0.511 19568 1711 1 7 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.759 0.310 19568 1712 1 7 . 1 1 26 26 PHE H H 26 8.191 8.191 7.984 0.207 19568 1713 1 7 . 1 1 27 27 VAL N N 27 118.263 118.263 119.252 -0.989 19568 1714 1 7 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.713 -0.251 19568 1715 1 7 . 1 1 27 27 VAL C C 27 178.431 178.431 177.808 0.623 19568 1716 1 7 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.449 0.791 19568 1717 1 7 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.472 -0.366 19568 1718 1 7 . 1 1 27 27 VAL H H 27 8.530 8.530 7.821 0.709 19568 1719 1 7 . 1 1 28 28 PHE N N 28 122.020 122.020 121.336 0.684 19568 1720 1 7 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.392 -0.227 19568 1721 1 7 . 1 1 28 28 PHE C C 28 176.323 176.323 177.697 -1.374 19568 1722 1 7 . 1 1 28 28 PHE CA C 28 61.738 61.738 61.950 -0.212 19568 1723 1 7 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.746 -0.564 19568 1724 1 7 . 1 1 28 28 PHE H H 28 8.572 8.572 8.471 0.101 19568 1725 1 7 . 1 1 29 29 LEU N N 29 118.508 118.508 120.169 -1.661 19568 1726 1 7 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.045 -0.333 19568 1727 1 7 . 1 1 29 29 LEU C C 29 178.103 178.103 178.507 -0.404 19568 1728 1 7 . 1 1 29 29 LEU CA C 29 58.171 58.171 56.934 1.237 19568 1729 1 7 . 1 1 29 29 LEU CB C 29 41.995 41.995 40.793 1.202 19568 1730 1 7 . 1 1 29 29 LEU H H 29 8.631 8.631 8.688 -0.057 19568 1731 1 7 . 1 1 30 30 PHE N N 30 117.713 117.713 120.422 -2.709 19568 1732 1 7 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.142 -0.283 19568 1733 1 7 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.707 -0.053 19568 1734 1 7 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.186 -0.331 19568 1735 1 7 . 1 1 30 30 PHE H H 30 8.701 8.701 8.128 0.573 19568 1736 1 7 . 1 1 31 31 SER N N 31 115.131 115.131 116.263 -1.132 19568 1737 1 7 . 1 1 31 31 SER HA H 31 3.933 3.933 4.097 -0.164 19568 1738 1 7 . 1 1 31 31 SER C C 31 175.646 175.646 176.570 -0.924 19568 1739 1 7 . 1 1 31 31 SER CA C 31 63.631 63.631 61.760 1.871 19568 1740 1 7 . 1 1 31 31 SER CB C 31 62.767 62.767 62.660 0.106 19568 1741 1 7 . 1 1 31 31 SER H H 31 8.137 8.137 8.418 -0.281 19568 1742 1 7 . 1 1 32 32 VAL N N 32 120.892 120.892 121.935 -1.043 19568 1743 1 7 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.644 -0.183 19568 1744 1 7 . 1 1 32 32 VAL C C 32 178.552 178.552 177.389 1.163 19568 1745 1 7 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.335 0.062 19568 1746 1 7 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.382 -0.030 19568 1747 1 7 . 1 1 32 32 VAL H H 32 7.820 7.820 7.818 0.002 19568 1748 1 7 . 1 1 33 33 VAL N N 33 121.892 121.892 120.291 1.601 19568 1749 1 7 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.573 -0.170 19568 1750 1 7 . 1 1 33 33 VAL C C 33 177.129 177.129 178.066 -0.937 19568 1751 1 7 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.935 0.767 19568 1752 1 7 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.407 -0.002 19568 1753 1 7 . 1 1 33 33 VAL H H 33 8.061 8.061 7.365 0.696 19568 1754 1 7 . 1 1 34 34 ILE N N 34 117.742 117.742 118.917 -1.175 19568 1755 1 7 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.685 -0.119 19568 1756 1 7 . 1 1 34 34 ILE C C 34 178.041 178.041 177.787 0.254 19568 1757 1 7 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.559 0.781 19568 1758 1 7 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.260 -0.831 19568 1759 1 7 . 1 1 34 34 ILE H H 34 8.285 8.285 7.690 0.595 19568 1760 1 7 . 1 1 35 35 GLY N N 35 107.221 107.221 108.210 -0.989 19568 1761 1 7 . 1 1 35 35 GLY C C 35 174.842 174.842 175.971 -1.129 19568 1762 1 7 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.438 0.258 19568 1763 1 7 . 1 1 35 35 GLY H H 35 8.676 8.676 7.610 1.066 19568 1764 1 7 . 1 1 36 36 SER N N 36 117.895 117.895 117.013 0.882 19568 1765 1 7 . 1 1 36 36 SER HA H 36 4.080 4.080 4.299 -0.219 19568 1766 1 7 . 1 1 36 36 SER C C 36 175.749 175.749 176.769 -1.020 19568 1767 1 7 . 1 1 36 36 SER CA C 36 63.895 63.895 60.856 3.039 19568 1768 1 7 . 1 1 36 36 SER CB C 36 63.038 63.038 63.112 -0.074 19568 1769 1 7 . 1 1 36 36 SER H H 36 8.185 8.185 7.791 0.394 19568 1770 1 7 . 1 1 37 37 ILE N N 37 122.412 122.412 122.415 -0.003 19568 1771 1 7 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.788 -0.138 19568 1772 1 7 . 1 1 37 37 ILE C C 37 177.436 177.436 177.002 0.434 19568 1773 1 7 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.451 1.628 19568 1774 1 7 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.105 -0.158 19568 1775 1 7 . 1 1 37 37 ILE H H 37 7.971 7.971 7.722 0.249 19568 1776 1 7 . 1 1 38 38 TYR N N 38 119.517 119.517 120.741 -1.224 19568 1777 1 7 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.073 0.094 19568 1778 1 7 . 1 1 38 38 TYR C C 38 176.818 176.818 177.388 -0.570 19568 1779 1 7 . 1 1 38 38 TYR CA C 38 62.452 62.452 61.958 0.494 19568 1780 1 7 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.515 -0.249 19568 1781 1 7 . 1 1 38 38 TYR H H 38 8.450 8.450 7.984 0.466 19568 1782 1 7 . 1 1 39 39 LEU N N 39 117.459 117.459 119.079 -1.620 19568 1783 1 7 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.830 -0.133 19568 1784 1 7 . 1 1 39 39 LEU C C 39 178.873 178.873 179.527 -0.654 19568 1785 1 7 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.153 -0.223 19568 1786 1 7 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.721 0.440 19568 1787 1 7 . 1 1 39 39 LEU H H 39 8.369 8.369 7.951 0.418 19568 1788 1 7 . 1 1 40 40 PHE N N 40 118.068 118.068 118.162 -0.094 19568 1789 1 7 . 1 1 40 40 PHE C C 40 177.002 177.002 176.950 0.052 19568 1790 1 7 . 1 1 40 40 PHE CA C 40 61.209 61.209 60.779 0.430 19568 1791 1 7 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.881 -3.314 19568 1792 1 7 . 1 1 40 40 PHE H H 40 8.317 8.317 7.642 0.675 19568 1793 1 7 . 1 1 41 41 LEU N N 41 117.738 117.738 118.572 -0.834 19568 1794 1 7 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.006 -0.025 19568 1795 1 7 . 1 1 41 41 LEU C C 41 177.917 177.917 178.256 -0.339 19568 1796 1 7 . 1 1 41 41 LEU CA C 41 56.741 56.741 55.773 0.968 19568 1797 1 7 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.492 0.863 19568 1798 1 7 . 1 1 41 41 LEU H H 41 8.309 8.309 8.029 0.280 19568 1799 1 7 . 1 1 42 42 ARG N N 42 118.199 118.199 119.160 -0.961 19568 1800 1 7 . 1 1 42 42 ARG HA H 42 4.011 4.011 3.898 0.113 19568 1801 1 7 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.881 -0.785 19568 1802 1 7 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.985 -0.111 19568 1803 1 7 . 1 1 42 42 ARG H H 42 7.957 7.957 7.364 0.593 19568 1804 1 7 . 1 1 43 43 LYS N N 43 119.027 119.027 116.257 2.770 19568 1805 1 7 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.251 -0.077 19568 1806 1 7 . 1 1 43 43 LYS C C 43 176.558 176.558 175.977 0.581 19568 1807 1 7 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.122 1.308 19568 1808 1 7 . 1 1 43 43 LYS CB C 43 32.576 32.576 33.184 -0.608 19568 1809 1 7 . 1 1 43 43 LYS H H 43 7.799 7.799 7.254 0.545 19568 1810 1 7 . 1 1 44 44 ARG N N 44 120.558 120.558 120.464 0.094 19568 1811 1 7 . 1 1 44 44 ARG HA H 44 4.172 4.172 3.776 0.396 19568 1812 1 7 . 1 1 44 44 ARG C C 44 175.813 175.813 175.439 0.374 19568 1813 1 7 . 1 1 44 44 ARG CA C 44 56.216 56.216 58.131 -1.915 19568 1814 1 7 . 1 1 44 44 ARG CB C 44 30.658 30.658 29.847 0.811 19568 1815 1 7 . 1 1 44 44 ARG H H 44 7.727 7.727 7.487 0.240 19568 1816 1 7 . 1 1 45 45 GLN N N 45 122.179 122.179 116.416 5.763 19568 1817 1 7 . 1 1 45 45 GLN C C 45 173.795 173.795 174.364 -0.569 19568 1818 1 7 . 1 1 45 45 GLN CA C 45 53.615 53.615 56.076 -2.461 19568 1819 1 7 . 1 1 45 45 GLN CB C 45 29.002 29.002 27.989 1.013 19568 1820 1 7 . 1 1 45 45 GLN H H 45 8.141 8.141 8.463 -0.322 19568 1821 1 7 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.528 -0.146 19568 1822 1 7 . 1 1 46 46 PRO C C 46 176.477 176.477 178.247 -1.770 19568 1823 1 7 . 1 1 46 46 PRO CA C 46 63.247 63.247 64.254 -1.007 19568 1824 1 7 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.996 0.076 19568 1825 1 7 . 1 1 47 47 ASP N N 47 120.424 120.424 121.191 -0.767 19568 1826 1 7 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.564 0.022 19568 1827 1 7 . 1 1 47 47 ASP C C 47 176.316 176.316 176.504 -0.188 19568 1828 1 7 . 1 1 47 47 ASP CA C 47 54.356 54.356 52.991 1.365 19568 1829 1 7 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.378 2.169 19568 1830 1 7 . 1 1 47 47 ASP H H 47 8.333 8.333 8.488 -0.155 19568 1831 1 7 . 1 1 48 48 GLY N N 48 108.892 108.892 108.216 0.676 19568 1832 1 7 . 1 1 48 48 GLY C C 48 171.778 171.778 172.820 -1.042 19568 1833 1 7 . 1 1 48 48 GLY CA C 48 44.630 44.630 43.919 0.711 19568 1834 1 7 . 1 1 48 48 GLY H H 48 8.063 8.063 7.953 0.110 19568 1835 1 7 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.294 0.077 19568 1836 1 7 . 1 1 49 49 PRO C C 49 177.077 177.077 176.849 0.228 19568 1837 1 7 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.673 -0.438 19568 1838 1 7 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.645 0.503 19568 1839 1 7 . 1 1 50 50 LEU N N 50 121.757 121.757 129.046 -7.289 19568 1840 1 7 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.220 0.025 19568 1841 1 7 . 1 1 50 50 LEU C C 50 177.320 177.320 176.586 0.734 19568 1842 1 7 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.552 0.712 19568 1843 1 7 . 1 1 50 50 LEU CB C 50 42.248 42.248 39.949 2.299 19568 1844 1 7 . 1 1 50 50 LEU H H 50 8.263 8.263 8.502 -0.239 19568 1845 1 7 . 1 1 51 51 GLU N N 51 121.007 121.007 116.724 4.283 19568 1846 1 7 . 1 1 51 51 GLU CA C 51 56.531 56.531 57.460 -0.929 19568 1847 1 7 . 1 1 51 51 GLU CB C 51 30.370 30.370 27.640 2.730 19568 1848 1 7 . 1 1 51 51 GLU H H 51 8.166 8.166 8.294 -0.128 19568 1849 1 8 . 1 1 2 2 THR N N 2 113.734 113.734 116.761 -3.027 19568 1850 1 8 . 1 1 2 2 THR HA H 2 4.076 4.076 4.512 -0.436 19568 1851 1 8 . 1 1 2 2 THR C C 2 174.729 174.729 175.711 -0.982 19568 1852 1 8 . 1 1 2 2 THR CA C 2 63.234 63.234 63.422 -0.188 19568 1853 1 8 . 1 1 2 2 THR CB C 2 69.247 69.247 69.210 0.037 19568 1854 1 8 . 1 1 2 2 THR H H 2 8.100 8.100 8.681 -0.581 19568 1855 1 8 . 1 1 3 3 TYR N N 3 119.785 119.785 122.240 -2.455 19568 1856 1 8 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.267 -0.028 19568 1857 1 8 . 1 1 3 3 TYR C C 3 175.468 175.468 178.100 -2.632 19568 1858 1 8 . 1 1 3 3 TYR CA C 3 59.361 59.361 60.673 -1.312 19568 1859 1 8 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.749 0.787 19568 1860 1 8 . 1 1 3 3 TYR H H 3 7.911 7.911 8.275 -0.364 19568 1861 1 8 . 1 1 4 4 PHE N N 4 117.223 117.223 119.554 -2.331 19568 1862 1 8 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.236 0.204 19568 1863 1 8 . 1 1 4 4 PHE C C 4 174.872 174.872 177.448 -2.576 19568 1864 1 8 . 1 1 4 4 PHE CA C 4 58.593 58.593 60.867 -2.274 19568 1865 1 8 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.690 0.530 19568 1866 1 8 . 1 1 4 4 PHE H H 4 7.634 7.634 8.516 -0.882 19568 1867 1 8 . 1 1 5 5 TYR N N 5 118.715 118.715 119.285 -0.570 19568 1868 1 8 . 1 1 5 5 TYR HA H 5 4.539 4.539 3.892 0.647 19568 1869 1 8 . 1 1 5 5 TYR C C 5 176.539 176.539 177.912 -1.373 19568 1870 1 8 . 1 1 5 5 TYR CA C 5 58.768 58.768 62.199 -3.431 19568 1871 1 8 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.698 -0.431 19568 1872 1 8 . 1 1 5 5 TYR H H 5 7.877 7.877 7.715 0.162 19568 1873 1 8 . 1 1 6 6 VAL N N 6 118.275 118.275 116.226 2.049 19568 1874 1 8 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.763 0.171 19568 1875 1 8 . 1 1 6 6 VAL C C 6 176.487 176.487 177.549 -1.062 19568 1876 1 8 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.573 -1.111 19568 1877 1 8 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.108 0.875 19568 1878 1 8 . 1 1 6 6 VAL H H 6 7.930 7.930 7.678 0.252 19568 1879 1 8 . 1 1 7 7 THR N N 7 111.175 111.175 111.056 0.119 19568 1880 1 8 . 1 1 7 7 THR HA H 7 4.212 4.212 4.326 -0.114 19568 1881 1 8 . 1 1 7 7 THR C C 7 175.536 175.536 176.406 -0.870 19568 1882 1 8 . 1 1 7 7 THR CA C 7 64.289 64.289 64.196 0.093 19568 1883 1 8 . 1 1 7 7 THR CB C 7 68.479 68.479 69.348 -0.869 19568 1884 1 8 . 1 1 7 7 THR H H 7 7.814 7.814 7.801 0.013 19568 1885 1 8 . 1 1 8 8 ASP N N 8 121.151 121.151 122.450 -1.299 19568 1886 1 8 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.122 0.324 19568 1887 1 8 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.224 -0.207 19568 1888 1 8 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.145 0.550 19568 1889 1 8 . 1 1 8 8 ASP H H 8 8.006 8.006 7.909 0.097 19568 1890 1 8 . 1 1 9 9 TYR N N 9 117.806 117.806 119.291 -1.485 19568 1891 1 8 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.069 0.272 19568 1892 1 8 . 1 1 9 9 TYR C C 9 176.025 176.025 177.450 -1.425 19568 1893 1 8 . 1 1 9 9 TYR CA C 9 59.525 59.525 61.077 -1.552 19568 1894 1 8 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.775 0.558 19568 1895 1 8 . 1 1 9 9 TYR H H 9 7.726 7.726 7.470 0.256 19568 1896 1 8 . 1 1 10 10 LEU N N 10 116.985 116.985 119.125 -2.140 19568 1897 1 8 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.245 0.031 19568 1898 1 8 . 1 1 10 10 LEU C C 10 175.391 175.391 175.767 -0.376 19568 1899 1 8 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.485 0.208 19568 1900 1 8 . 1 1 10 10 LEU CB C 10 43.009 43.009 39.927 3.082 19568 1901 1 8 . 1 1 10 10 LEU H H 10 7.514 7.514 7.407 0.107 19568 1902 1 8 . 1 1 11 11 ASP N N 11 120.049 120.049 120.012 0.037 19568 1903 1 8 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.754 -0.238 19568 1904 1 8 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.601 0.276 19568 1905 1 8 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.632 -3.022 19568 1906 1 8 . 1 1 11 11 ASP H H 11 7.978 7.978 7.780 0.198 19568 1907 1 8 . 1 1 12 12 VAL N N 12 118.837 118.837 125.950 -7.113 19568 1908 1 8 . 1 1 12 12 VAL CA C 12 59.819 59.819 59.581 0.238 19568 1909 1 8 . 1 1 12 12 VAL H H 12 7.780 7.780 8.300 -0.520 19568 1910 1 8 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.447 -0.367 19568 1911 1 8 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.827 0.546 19568 1912 1 8 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.582 -0.617 19568 1913 1 8 . 1 1 14 14 SER N N 14 117.102 117.102 117.203 -0.101 19568 1914 1 8 . 1 1 14 14 SER HA H 14 4.080 4.080 4.200 -0.120 19568 1915 1 8 . 1 1 14 14 SER CA C 14 61.149 61.149 60.534 0.615 19568 1916 1 8 . 1 1 14 14 SER H H 14 8.631 8.631 8.666 -0.035 19568 1917 1 8 . 1 1 15 15 ASN N N 15 118.240 118.240 120.123 -1.883 19568 1918 1 8 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.472 0.032 19568 1919 1 8 . 1 1 15 15 ASN C C 15 176.447 176.447 177.134 -0.687 19568 1920 1 8 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.730 -0.321 19568 1921 1 8 . 1 1 15 15 ASN CB C 15 37.458 37.458 37.694 -0.236 19568 1922 1 8 . 1 1 15 15 ASN H H 15 8.500 8.500 8.570 -0.070 19568 1923 1 8 . 1 1 16 16 ILE N N 16 118.674 118.674 118.297 0.377 19568 1924 1 8 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.966 0.019 19568 1925 1 8 . 1 1 16 16 ILE C C 16 176.784 176.784 177.050 -0.266 19568 1926 1 8 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.607 -1.269 19568 1927 1 8 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.294 0.351 19568 1928 1 8 . 1 1 16 16 ILE H H 16 7.499 7.499 7.551 -0.052 19568 1929 1 8 . 1 1 17 17 ALA N N 17 123.146 123.146 122.697 0.449 19568 1930 1 8 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.136 -0.230 19568 1931 1 8 . 1 1 17 17 ALA C C 17 178.295 178.295 179.162 -0.867 19568 1932 1 8 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.840 0.427 19568 1933 1 8 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.311 0.227 19568 1934 1 8 . 1 1 17 17 ALA H H 17 8.154 8.154 8.128 0.026 19568 1935 1 8 . 1 1 18 18 LYS N N 18 113.996 113.996 119.271 -5.275 19568 1936 1 8 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.213 -0.264 19568 1937 1 8 . 1 1 18 18 LYS C C 18 177.195 177.195 178.078 -0.883 19568 1938 1 8 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.650 0.757 19568 1939 1 8 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.731 0.056 19568 1940 1 8 . 1 1 18 18 LYS H H 18 7.867 7.867 7.595 0.272 19568 1941 1 8 . 1 1 19 19 ILE N N 19 115.051 115.051 118.879 -3.828 19568 1942 1 8 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.891 0.159 19568 1943 1 8 . 1 1 19 19 ILE C C 19 175.727 175.727 177.464 -1.737 19568 1944 1 8 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.096 -1.184 19568 1945 1 8 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.491 0.221 19568 1946 1 8 . 1 1 19 19 ILE H H 19 7.395 7.395 7.590 -0.195 19568 1947 1 8 . 1 1 20 20 ILE N N 20 113.857 113.857 119.646 -5.789 19568 1948 1 8 . 1 1 20 20 ILE CA C 20 62.423 62.423 64.124 -1.702 19568 1949 1 8 . 1 1 20 20 ILE CB C 20 38.872 38.872 39.056 -0.183 19568 1950 1 8 . 1 1 20 20 ILE H H 20 7.468 7.468 7.526 -0.058 19568 1951 1 8 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.135 -0.272 19568 1952 1 8 . 1 1 21 21 ILE C C 21 176.210 176.210 177.877 -1.667 19568 1953 1 8 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.503 1.593 19568 1954 1 8 . 1 1 22 22 GLY N N 22 106.975 106.975 110.379 -3.404 19568 1955 1 8 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.466 -0.227 19568 1956 1 8 . 1 1 22 22 GLY H H 22 8.473 8.473 7.744 0.729 19568 1957 1 8 . 1 1 23 23 PRO C C 23 177.086 177.086 178.111 -1.025 19568 1958 1 8 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.431 0.446 19568 1959 1 8 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.385 0.677 19568 1960 1 8 . 1 1 24 24 LEU N N 24 115.805 115.805 118.470 -2.665 19568 1961 1 8 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.211 -0.124 19568 1962 1 8 . 1 1 24 24 LEU C C 24 178.191 178.191 178.668 -0.477 19568 1963 1 8 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.355 1.127 19568 1964 1 8 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.236 -0.269 19568 1965 1 8 . 1 1 24 24 LEU H H 24 7.855 7.855 7.929 -0.074 19568 1966 1 8 . 1 1 25 25 ILE N N 25 118.715 118.715 120.728 -2.013 19568 1967 1 8 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.622 0.101 19568 1968 1 8 . 1 1 25 25 ILE C C 25 177.615 177.615 178.034 -0.419 19568 1969 1 8 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.507 -0.117 19568 1970 1 8 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.757 -0.689 19568 1971 1 8 . 1 1 25 25 ILE H H 25 8.373 8.373 8.407 -0.034 19568 1972 1 8 . 1 1 26 26 PHE N N 26 118.782 118.782 120.230 -1.448 19568 1973 1 8 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.206 -0.224 19568 1974 1 8 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.836 -0.333 19568 1975 1 8 . 1 1 26 26 PHE CB C 26 39.069 39.069 39.008 0.061 19568 1976 1 8 . 1 1 26 26 PHE H H 26 8.191 8.191 7.835 0.356 19568 1977 1 8 . 1 1 27 27 VAL N N 27 118.263 118.263 119.064 -0.801 19568 1978 1 8 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.816 -0.354 19568 1979 1 8 . 1 1 27 27 VAL C C 27 178.431 178.431 178.127 0.304 19568 1980 1 8 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.257 0.983 19568 1981 1 8 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.577 -0.471 19568 1982 1 8 . 1 1 27 27 VAL H H 27 8.530 8.530 7.600 0.930 19568 1983 1 8 . 1 1 28 28 PHE N N 28 122.020 122.020 120.914 1.106 19568 1984 1 8 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.270 -0.105 19568 1985 1 8 . 1 1 28 28 PHE C C 28 176.323 176.323 177.587 -1.264 19568 1986 1 8 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.849 -1.111 19568 1987 1 8 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.502 -0.320 19568 1988 1 8 . 1 1 28 28 PHE H H 28 8.572 8.572 8.580 -0.008 19568 1989 1 8 . 1 1 29 29 LEU N N 29 118.508 118.508 120.118 -1.610 19568 1990 1 8 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.001 -0.289 19568 1991 1 8 . 1 1 29 29 LEU C C 29 178.103 178.103 178.363 -0.260 19568 1992 1 8 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.653 0.519 19568 1993 1 8 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.891 0.104 19568 1994 1 8 . 1 1 29 29 LEU H H 29 8.631 8.631 8.340 0.291 19568 1995 1 8 . 1 1 30 30 PHE N N 30 117.713 117.713 119.830 -2.117 19568 1996 1 8 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.129 -0.270 19568 1997 1 8 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.338 0.316 19568 1998 1 8 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.415 -0.560 19568 1999 1 8 . 1 1 30 30 PHE H H 30 8.701 8.701 8.230 0.471 19568 2000 1 8 . 1 1 31 31 SER N N 31 115.131 115.131 115.340 -0.209 19568 2001 1 8 . 1 1 31 31 SER HA H 31 3.933 3.933 4.053 -0.120 19568 2002 1 8 . 1 1 31 31 SER C C 31 175.646 175.646 176.802 -1.156 19568 2003 1 8 . 1 1 31 31 SER CA C 31 63.631 63.631 61.944 1.687 19568 2004 1 8 . 1 1 31 31 SER CB C 31 62.767 62.767 62.970 -0.203 19568 2005 1 8 . 1 1 31 31 SER H H 31 8.137 8.137 8.415 -0.278 19568 2006 1 8 . 1 1 32 32 VAL N N 32 120.892 120.892 122.341 -1.449 19568 2007 1 8 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.638 -0.177 19568 2008 1 8 . 1 1 32 32 VAL C C 32 178.552 178.552 177.532 1.020 19568 2009 1 8 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.065 0.332 19568 2010 1 8 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.708 -0.356 19568 2011 1 8 . 1 1 32 32 VAL H H 32 7.820 7.820 7.681 0.139 19568 2012 1 8 . 1 1 33 33 VAL N N 33 121.892 121.892 119.924 1.968 19568 2013 1 8 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.572 -0.169 19568 2014 1 8 . 1 1 33 33 VAL C C 33 177.129 177.129 178.213 -1.084 19568 2015 1 8 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.921 0.781 19568 2016 1 8 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.271 0.134 19568 2017 1 8 . 1 1 33 33 VAL H H 33 8.061 8.061 7.659 0.402 19568 2018 1 8 . 1 1 34 34 ILE N N 34 117.742 117.742 118.756 -1.014 19568 2019 1 8 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.716 -0.150 19568 2020 1 8 . 1 1 34 34 ILE C C 34 178.041 178.041 177.592 0.449 19568 2021 1 8 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.701 0.639 19568 2022 1 8 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.108 -0.679 19568 2023 1 8 . 1 1 34 34 ILE H H 34 8.285 8.285 7.724 0.561 19568 2024 1 8 . 1 1 35 35 GLY N N 35 107.221 107.221 108.678 -1.457 19568 2025 1 8 . 1 1 35 35 GLY C C 35 174.842 174.842 176.030 -1.188 19568 2026 1 8 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.131 0.565 19568 2027 1 8 . 1 1 35 35 GLY H H 35 8.676 8.676 7.603 1.073 19568 2028 1 8 . 1 1 36 36 SER N N 36 117.895 117.895 117.129 0.766 19568 2029 1 8 . 1 1 36 36 SER HA H 36 4.080 4.080 4.270 -0.190 19568 2030 1 8 . 1 1 36 36 SER C C 36 175.749 175.749 176.792 -1.043 19568 2031 1 8 . 1 1 36 36 SER CA C 36 63.895 63.895 61.000 2.895 19568 2032 1 8 . 1 1 36 36 SER CB C 36 63.038 63.038 63.275 -0.237 19568 2033 1 8 . 1 1 36 36 SER H H 36 8.185 8.185 7.809 0.376 19568 2034 1 8 . 1 1 37 37 ILE N N 37 122.412 122.412 122.653 -0.241 19568 2035 1 8 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.899 -0.249 19568 2036 1 8 . 1 1 37 37 ILE C C 37 177.436 177.436 177.113 0.323 19568 2037 1 8 . 1 1 37 37 ILE CA C 37 66.079 66.079 63.445 2.634 19568 2038 1 8 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.095 -0.148 19568 2039 1 8 . 1 1 37 37 ILE H H 37 7.971 7.971 7.685 0.286 19568 2040 1 8 . 1 1 38 38 TYR N N 38 119.517 119.517 120.228 -0.711 19568 2041 1 8 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.017 0.150 19568 2042 1 8 . 1 1 38 38 TYR C C 38 176.818 176.818 177.697 -0.879 19568 2043 1 8 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.524 -0.072 19568 2044 1 8 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.328 -0.062 19568 2045 1 8 . 1 1 38 38 TYR H H 38 8.450 8.450 8.137 0.313 19568 2046 1 8 . 1 1 39 39 LEU N N 39 117.459 117.459 118.545 -1.086 19568 2047 1 8 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.864 -0.167 19568 2048 1 8 . 1 1 39 39 LEU C C 39 178.873 178.873 179.464 -0.591 19568 2049 1 8 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.858 0.072 19568 2050 1 8 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.402 0.759 19568 2051 1 8 . 1 1 39 39 LEU H H 39 8.369 8.369 7.715 0.654 19568 2052 1 8 . 1 1 40 40 PHE N N 40 118.068 118.068 118.039 0.029 19568 2053 1 8 . 1 1 40 40 PHE C C 40 177.002 177.002 177.805 -0.803 19568 2054 1 8 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.311 -0.102 19568 2055 1 8 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.848 -3.281 19568 2056 1 8 . 1 1 40 40 PHE H H 40 8.317 8.317 7.768 0.549 19568 2057 1 8 . 1 1 41 41 LEU N N 41 117.738 117.738 118.639 -0.901 19568 2058 1 8 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.113 -0.132 19568 2059 1 8 . 1 1 41 41 LEU C C 41 177.917 177.917 177.759 0.158 19568 2060 1 8 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.064 0.677 19568 2061 1 8 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.566 0.789 19568 2062 1 8 . 1 1 41 41 LEU H H 41 8.309 8.309 7.969 0.340 19568 2063 1 8 . 1 1 42 42 ARG N N 42 118.199 118.199 118.562 -0.363 19568 2064 1 8 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.264 -0.253 19568 2065 1 8 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.623 -0.527 19568 2066 1 8 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.541 -0.666 19568 2067 1 8 . 1 1 42 42 ARG H H 42 7.957 7.957 7.484 0.473 19568 2068 1 8 . 1 1 43 43 LYS N N 43 119.027 119.027 117.488 1.539 19568 2069 1 8 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.395 -0.221 19568 2070 1 8 . 1 1 43 43 LYS C C 43 176.558 176.558 176.791 -0.233 19568 2071 1 8 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.510 -0.080 19568 2072 1 8 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.603 -0.027 19568 2073 1 8 . 1 1 43 43 LYS H H 43 7.799 7.799 7.295 0.504 19568 2074 1 8 . 1 1 44 44 ARG N N 44 120.558 120.558 119.531 1.027 19568 2075 1 8 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.290 -0.118 19568 2076 1 8 . 1 1 44 44 ARG C C 44 175.813 175.813 176.659 -0.846 19568 2077 1 8 . 1 1 44 44 ARG CA C 44 56.216 56.216 56.783 -0.567 19568 2078 1 8 . 1 1 44 44 ARG CB C 44 30.658 30.658 29.499 1.159 19568 2079 1 8 . 1 1 44 44 ARG H H 44 7.727 7.727 7.566 0.161 19568 2080 1 8 . 1 1 45 45 GLN N N 45 122.179 122.179 119.902 2.277 19568 2081 1 8 . 1 1 45 45 GLN C C 45 173.795 173.795 174.828 -1.033 19568 2082 1 8 . 1 1 45 45 GLN CA C 45 53.615 53.615 57.673 -4.058 19568 2083 1 8 . 1 1 45 45 GLN CB C 45 29.002 29.002 27.897 1.105 19568 2084 1 8 . 1 1 45 45 GLN H H 45 8.141 8.141 8.264 -0.123 19568 2085 1 8 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.348 0.034 19568 2086 1 8 . 1 1 46 46 PRO C C 46 176.477 176.477 177.099 -0.622 19568 2087 1 8 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.302 -0.055 19568 2088 1 8 . 1 1 46 46 PRO CB C 46 32.072 32.072 32.003 0.069 19568 2089 1 8 . 1 1 47 47 ASP N N 47 120.424 120.424 123.810 -3.386 19568 2090 1 8 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.381 0.205 19568 2091 1 8 . 1 1 47 47 ASP C C 47 176.316 176.316 176.379 -0.063 19568 2092 1 8 . 1 1 47 47 ASP CA C 47 54.356 54.356 54.321 0.035 19568 2093 1 8 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.831 1.716 19568 2094 1 8 . 1 1 47 47 ASP H H 47 8.333 8.333 8.569 -0.236 19568 2095 1 8 . 1 1 48 48 GLY N N 48 108.892 108.892 108.943 -0.051 19568 2096 1 8 . 1 1 48 48 GLY C C 48 171.778 171.778 172.273 -0.495 19568 2097 1 8 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.259 0.371 19568 2098 1 8 . 1 1 48 48 GLY H H 48 8.063 8.063 7.967 0.096 19568 2099 1 8 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.292 0.079 19568 2100 1 8 . 1 1 49 49 PRO C C 49 177.077 177.077 175.832 1.245 19568 2101 1 8 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.920 -0.685 19568 2102 1 8 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.361 0.787 19568 2103 1 8 . 1 1 50 50 LEU N N 50 121.757 121.757 124.362 -2.605 19568 2104 1 8 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.683 -0.438 19568 2105 1 8 . 1 1 50 50 LEU C C 50 177.320 177.320 176.342 0.978 19568 2106 1 8 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.298 0.966 19568 2107 1 8 . 1 1 50 50 LEU CB C 50 42.248 42.248 45.149 -2.901 19568 2108 1 8 . 1 1 50 50 LEU H H 50 8.263 8.263 8.148 0.115 19568 2109 1 8 . 1 1 51 51 GLU N N 51 121.007 121.007 123.831 -2.824 19568 2110 1 8 . 1 1 51 51 GLU CA C 51 56.531 56.531 56.316 0.215 19568 2111 1 8 . 1 1 51 51 GLU CB C 51 30.370 30.370 30.446 -0.076 19568 2112 1 8 . 1 1 51 51 GLU H H 51 8.166 8.166 8.587 -0.421 19568 2113 1 9 . 1 1 2 2 THR N N 2 113.734 113.734 116.346 -2.612 19568 2114 1 9 . 1 1 2 2 THR HA H 2 4.076 4.076 4.475 -0.399 19568 2115 1 9 . 1 1 2 2 THR C C 2 174.729 174.729 176.112 -1.383 19568 2116 1 9 . 1 1 2 2 THR CA C 2 63.234 63.234 64.525 -1.292 19568 2117 1 9 . 1 1 2 2 THR CB C 2 69.247 69.247 68.852 0.395 19568 2118 1 9 . 1 1 2 2 THR H H 2 8.100 8.100 8.178 -0.078 19568 2119 1 9 . 1 1 3 3 TYR N N 3 119.785 119.785 122.159 -2.374 19568 2120 1 9 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.265 -0.026 19568 2121 1 9 . 1 1 3 3 TYR C C 3 175.468 175.468 177.923 -2.455 19568 2122 1 9 . 1 1 3 3 TYR CA C 3 59.361 59.361 60.210 -0.849 19568 2123 1 9 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.948 0.588 19568 2124 1 9 . 1 1 3 3 TYR H H 3 7.911 7.911 8.189 -0.278 19568 2125 1 9 . 1 1 4 4 PHE N N 4 117.223 117.223 117.839 -0.616 19568 2126 1 9 . 1 1 4 4 PHE HA H 4 4.440 4.440 3.965 0.475 19568 2127 1 9 . 1 1 4 4 PHE C C 4 174.872 174.872 177.078 -2.206 19568 2128 1 9 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.268 -2.675 19568 2129 1 9 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.345 0.875 19568 2130 1 9 . 1 1 4 4 PHE H H 4 7.634 7.634 8.588 -0.954 19568 2131 1 9 . 1 1 5 5 TYR N N 5 118.715 118.715 117.001 1.714 19568 2132 1 9 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.066 0.473 19568 2133 1 9 . 1 1 5 5 TYR C C 5 176.539 176.539 177.962 -1.423 19568 2134 1 9 . 1 1 5 5 TYR CA C 5 58.768 58.768 62.018 -3.250 19568 2135 1 9 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.029 0.238 19568 2136 1 9 . 1 1 5 5 TYR H H 5 7.877 7.877 7.639 0.238 19568 2137 1 9 . 1 1 6 6 VAL N N 6 118.275 118.275 118.524 -0.249 19568 2138 1 9 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.770 0.164 19568 2139 1 9 . 1 1 6 6 VAL C C 6 176.487 176.487 177.804 -1.317 19568 2140 1 9 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.543 -1.081 19568 2141 1 9 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.421 0.562 19568 2142 1 9 . 1 1 6 6 VAL H H 6 7.930 7.930 7.774 0.156 19568 2143 1 9 . 1 1 7 7 THR N N 7 111.175 111.175 113.611 -2.436 19568 2144 1 9 . 1 1 7 7 THR HA H 7 4.212 4.212 4.373 -0.161 19568 2145 1 9 . 1 1 7 7 THR C C 7 175.536 175.536 175.890 -0.354 19568 2146 1 9 . 1 1 7 7 THR CA C 7 64.289 64.289 64.487 -0.198 19568 2147 1 9 . 1 1 7 7 THR CB C 7 68.479 68.479 68.937 -0.458 19568 2148 1 9 . 1 1 7 7 THR H H 7 7.814 7.814 8.362 -0.548 19568 2149 1 9 . 1 1 8 8 ASP N N 8 121.151 121.151 123.208 -2.057 19568 2150 1 9 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.343 0.103 19568 2151 1 9 . 1 1 8 8 ASP CA C 8 56.017 56.017 55.779 0.238 19568 2152 1 9 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.112 0.583 19568 2153 1 9 . 1 1 8 8 ASP H H 8 8.006 8.006 8.170 -0.164 19568 2154 1 9 . 1 1 9 9 TYR N N 9 117.806 117.806 118.372 -0.566 19568 2155 1 9 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.249 0.092 19568 2156 1 9 . 1 1 9 9 TYR C C 9 176.025 176.025 176.372 -0.347 19568 2157 1 9 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.137 -0.612 19568 2158 1 9 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.831 0.502 19568 2159 1 9 . 1 1 9 9 TYR H H 9 7.726 7.726 7.651 0.075 19568 2160 1 9 . 1 1 10 10 LEU N N 10 116.985 116.985 119.104 -2.119 19568 2161 1 9 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.382 -0.105 19568 2162 1 9 . 1 1 10 10 LEU C C 10 175.391 175.391 176.205 -0.814 19568 2163 1 9 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.414 0.279 19568 2164 1 9 . 1 1 10 10 LEU CB C 10 43.009 43.009 40.965 2.044 19568 2165 1 9 . 1 1 10 10 LEU H H 10 7.514 7.514 7.115 0.399 19568 2166 1 9 . 1 1 11 11 ASP N N 11 120.049 120.049 120.254 -0.205 19568 2167 1 9 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.804 -0.288 19568 2168 1 9 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.542 0.335 19568 2169 1 9 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.847 -3.237 19568 2170 1 9 . 1 1 11 11 ASP H H 11 7.978 7.978 7.529 0.449 19568 2171 1 9 . 1 1 12 12 VAL N N 12 118.837 118.837 120.943 -2.106 19568 2172 1 9 . 1 1 12 12 VAL CA C 12 59.819 59.819 59.363 0.456 19568 2173 1 9 . 1 1 12 12 VAL H H 12 7.780 7.780 8.057 -0.277 19568 2174 1 9 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.505 -0.425 19568 2175 1 9 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.766 0.607 19568 2176 1 9 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.751 -0.786 19568 2177 1 9 . 1 1 14 14 SER N N 14 117.102 117.102 117.998 -0.896 19568 2178 1 9 . 1 1 14 14 SER HA H 14 4.080 4.080 4.059 0.021 19568 2179 1 9 . 1 1 14 14 SER CA C 14 61.149 61.149 60.794 0.355 19568 2180 1 9 . 1 1 14 14 SER H H 14 8.631 8.631 8.844 -0.213 19568 2181 1 9 . 1 1 15 15 ASN N N 15 118.240 118.240 119.649 -1.409 19568 2182 1 9 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.487 0.017 19568 2183 1 9 . 1 1 15 15 ASN C C 15 176.447 176.447 177.029 -0.582 19568 2184 1 9 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.650 -0.241 19568 2185 1 9 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.130 -0.672 19568 2186 1 9 . 1 1 15 15 ASN H H 15 8.500 8.500 8.331 0.169 19568 2187 1 9 . 1 1 16 16 ILE N N 16 118.674 118.674 118.874 -0.200 19568 2188 1 9 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.854 0.131 19568 2189 1 9 . 1 1 16 16 ILE C C 16 176.784 176.784 177.010 -0.226 19568 2190 1 9 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.931 -1.593 19568 2191 1 9 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.833 -0.188 19568 2192 1 9 . 1 1 16 16 ILE H H 16 7.499 7.499 7.918 -0.419 19568 2193 1 9 . 1 1 17 17 ALA N N 17 123.146 123.146 122.383 0.763 19568 2194 1 9 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.130 -0.224 19568 2195 1 9 . 1 1 17 17 ALA C C 17 178.295 178.295 179.006 -0.711 19568 2196 1 9 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.898 0.369 19568 2197 1 9 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.311 0.227 19568 2198 1 9 . 1 1 17 17 ALA H H 17 8.154 8.154 8.056 0.098 19568 2199 1 9 . 1 1 18 18 LYS N N 18 113.996 113.996 118.676 -4.680 19568 2200 1 9 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.267 -0.318 19568 2201 1 9 . 1 1 18 18 LYS C C 18 177.195 177.195 177.939 -0.744 19568 2202 1 9 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.774 0.633 19568 2203 1 9 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.118 -0.331 19568 2204 1 9 . 1 1 18 18 LYS H H 18 7.867 7.867 7.494 0.373 19568 2205 1 9 . 1 1 19 19 ILE N N 19 115.051 115.051 119.324 -4.273 19568 2206 1 9 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.977 0.073 19568 2207 1 9 . 1 1 19 19 ILE C C 19 175.727 175.727 177.595 -1.868 19568 2208 1 9 . 1 1 19 19 ILE CA C 19 62.912 62.912 62.955 -0.043 19568 2209 1 9 . 1 1 19 19 ILE CB C 19 38.712 38.712 37.517 1.195 19568 2210 1 9 . 1 1 19 19 ILE H H 19 7.395 7.395 7.732 -0.337 19568 2211 1 9 . 1 1 20 20 ILE N N 20 113.857 113.857 120.130 -6.273 19568 2212 1 9 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.803 -1.380 19568 2213 1 9 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.256 0.616 19568 2214 1 9 . 1 1 20 20 ILE H H 20 7.468 7.468 7.652 -0.184 19568 2215 1 9 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.091 -0.228 19568 2216 1 9 . 1 1 21 21 ILE C C 21 176.210 176.210 177.619 -1.409 19568 2217 1 9 . 1 1 21 21 ILE CA C 21 64.096 64.096 63.244 0.852 19568 2218 1 9 . 1 1 22 22 GLY N N 22 106.975 106.975 109.362 -2.387 19568 2219 1 9 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.590 -0.351 19568 2220 1 9 . 1 1 22 22 GLY H H 22 8.473 8.473 8.075 0.398 19568 2221 1 9 . 1 1 23 23 PRO C C 23 177.086 177.086 178.412 -1.326 19568 2222 1 9 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.462 0.415 19568 2223 1 9 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.469 0.593 19568 2224 1 9 . 1 1 24 24 LEU N N 24 115.805 115.805 118.518 -2.713 19568 2225 1 9 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.233 -0.146 19568 2226 1 9 . 1 1 24 24 LEU C C 24 178.191 178.191 178.693 -0.502 19568 2227 1 9 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.769 0.713 19568 2228 1 9 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.050 -0.083 19568 2229 1 9 . 1 1 24 24 LEU H H 24 7.855 7.855 8.154 -0.299 19568 2230 1 9 . 1 1 25 25 ILE N N 25 118.715 118.715 120.219 -1.504 19568 2231 1 9 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.677 0.046 19568 2232 1 9 . 1 1 25 25 ILE C C 25 177.615 177.615 178.468 -0.853 19568 2233 1 9 . 1 1 25 25 ILE CA C 25 65.390 65.390 63.957 1.433 19568 2234 1 9 . 1 1 25 25 ILE CB C 25 37.068 37.068 36.426 0.642 19568 2235 1 9 . 1 1 25 25 ILE H H 25 8.373 8.373 8.357 0.016 19568 2236 1 9 . 1 1 26 26 PHE N N 26 118.782 118.782 119.505 -0.723 19568 2237 1 9 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.246 -0.264 19568 2238 1 9 . 1 1 26 26 PHE CA C 26 62.503 62.503 63.232 -0.729 19568 2239 1 9 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.728 0.341 19568 2240 1 9 . 1 1 26 26 PHE H H 26 8.191 8.191 7.862 0.329 19568 2241 1 9 . 1 1 27 27 VAL N N 27 118.263 118.263 120.059 -1.796 19568 2242 1 9 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.793 -0.331 19568 2243 1 9 . 1 1 27 27 VAL C C 27 178.431 178.431 177.725 0.706 19568 2244 1 9 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.641 0.598 19568 2245 1 9 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.463 -0.357 19568 2246 1 9 . 1 1 27 27 VAL H H 27 8.530 8.530 7.739 0.791 19568 2247 1 9 . 1 1 28 28 PHE N N 28 122.020 122.020 120.410 1.610 19568 2248 1 9 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.254 -0.089 19568 2249 1 9 . 1 1 28 28 PHE C C 28 176.323 176.323 177.362 -1.039 19568 2250 1 9 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.606 -0.868 19568 2251 1 9 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.601 -0.419 19568 2252 1 9 . 1 1 28 28 PHE H H 28 8.572 8.572 8.293 0.279 19568 2253 1 9 . 1 1 29 29 LEU N N 29 118.508 118.508 120.306 -1.798 19568 2254 1 9 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.882 -0.170 19568 2255 1 9 . 1 1 29 29 LEU C C 29 178.103 178.103 178.713 -0.610 19568 2256 1 9 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.000 0.171 19568 2257 1 9 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.675 0.320 19568 2258 1 9 . 1 1 29 29 LEU H H 29 8.631 8.631 8.313 0.318 19568 2259 1 9 . 1 1 30 30 PHE N N 30 117.713 117.713 118.581 -0.868 19568 2260 1 9 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.180 -0.321 19568 2261 1 9 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.846 -0.192 19568 2262 1 9 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.849 0.006 19568 2263 1 9 . 1 1 30 30 PHE H H 30 8.701 8.701 8.618 0.083 19568 2264 1 9 . 1 1 31 31 SER N N 31 115.131 115.131 115.608 -0.477 19568 2265 1 9 . 1 1 31 31 SER HA H 31 3.933 3.933 4.166 -0.233 19568 2266 1 9 . 1 1 31 31 SER C C 31 175.646 175.646 176.709 -1.063 19568 2267 1 9 . 1 1 31 31 SER CA C 31 63.631 63.631 61.837 1.794 19568 2268 1 9 . 1 1 31 31 SER CB C 31 62.767 62.767 62.927 -0.160 19568 2269 1 9 . 1 1 31 31 SER H H 31 8.137 8.137 8.108 0.029 19568 2270 1 9 . 1 1 32 32 VAL N N 32 120.892 120.892 122.318 -1.426 19568 2271 1 9 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.603 -0.142 19568 2272 1 9 . 1 1 32 32 VAL C C 32 178.552 178.552 177.507 1.045 19568 2273 1 9 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.136 0.261 19568 2274 1 9 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.333 0.019 19568 2275 1 9 . 1 1 32 32 VAL H H 32 7.820 7.820 8.076 -0.256 19568 2276 1 9 . 1 1 33 33 VAL N N 33 121.892 121.892 119.915 1.977 19568 2277 1 9 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.608 -0.205 19568 2278 1 9 . 1 1 33 33 VAL C C 33 177.129 177.129 178.417 -1.288 19568 2279 1 9 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.532 1.169 19568 2280 1 9 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.023 0.382 19568 2281 1 9 . 1 1 33 33 VAL H H 33 8.061 8.061 7.477 0.584 19568 2282 1 9 . 1 1 34 34 ILE N N 34 117.742 117.742 117.878 -0.136 19568 2283 1 9 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.826 -0.260 19568 2284 1 9 . 1 1 34 34 ILE C C 34 178.041 178.041 178.248 -0.207 19568 2285 1 9 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.448 -0.108 19568 2286 1 9 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.757 -0.328 19568 2287 1 9 . 1 1 34 34 ILE H H 34 8.285 8.285 7.811 0.474 19568 2288 1 9 . 1 1 35 35 GLY N N 35 107.221 107.221 108.974 -1.753 19568 2289 1 9 . 1 1 35 35 GLY C C 35 174.842 174.842 176.091 -1.249 19568 2290 1 9 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.209 0.487 19568 2291 1 9 . 1 1 35 35 GLY H H 35 8.676 8.676 7.428 1.248 19568 2292 1 9 . 1 1 36 36 SER N N 36 117.895 117.895 117.873 0.022 19568 2293 1 9 . 1 1 36 36 SER HA H 36 4.080 4.080 4.271 -0.191 19568 2294 1 9 . 1 1 36 36 SER C C 36 175.749 175.749 176.452 -0.703 19568 2295 1 9 . 1 1 36 36 SER CA C 36 63.895 63.895 61.900 1.995 19568 2296 1 9 . 1 1 36 36 SER CB C 36 63.038 63.038 63.099 -0.061 19568 2297 1 9 . 1 1 36 36 SER H H 36 8.185 8.185 7.886 0.299 19568 2298 1 9 . 1 1 37 37 ILE N N 37 122.412 122.412 122.061 0.351 19568 2299 1 9 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.886 -0.236 19568 2300 1 9 . 1 1 37 37 ILE C C 37 177.436 177.436 177.497 -0.061 19568 2301 1 9 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.094 1.986 19568 2302 1 9 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.291 -0.344 19568 2303 1 9 . 1 1 37 37 ILE H H 37 7.971 7.971 8.052 -0.081 19568 2304 1 9 . 1 1 38 38 TYR N N 38 119.517 119.517 120.651 -1.134 19568 2305 1 9 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.130 0.037 19568 2306 1 9 . 1 1 38 38 TYR C C 38 176.818 176.818 177.606 -0.788 19568 2307 1 9 . 1 1 38 38 TYR CA C 38 62.452 62.452 61.703 0.749 19568 2308 1 9 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.024 0.242 19568 2309 1 9 . 1 1 38 38 TYR H H 38 8.450 8.450 8.207 0.243 19568 2310 1 9 . 1 1 39 39 LEU N N 39 117.459 117.459 120.084 -2.625 19568 2311 1 9 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.829 -0.132 19568 2312 1 9 . 1 1 39 39 LEU C C 39 178.873 178.873 178.660 0.213 19568 2313 1 9 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.668 -0.738 19568 2314 1 9 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.623 0.537 19568 2315 1 9 . 1 1 39 39 LEU H H 39 8.369 8.369 7.789 0.580 19568 2316 1 9 . 1 1 40 40 PHE N N 40 118.068 118.068 115.997 2.071 19568 2317 1 9 . 1 1 40 40 PHE C C 40 177.002 177.002 178.258 -1.256 19568 2318 1 9 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.802 -0.593 19568 2319 1 9 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.712 -3.145 19568 2320 1 9 . 1 1 40 40 PHE H H 40 8.317 8.317 7.999 0.318 19568 2321 1 9 . 1 1 41 41 LEU N N 41 117.738 117.738 118.805 -1.067 19568 2322 1 9 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.147 -0.166 19568 2323 1 9 . 1 1 41 41 LEU C C 41 177.917 177.917 178.426 -0.509 19568 2324 1 9 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.144 0.597 19568 2325 1 9 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.457 0.898 19568 2326 1 9 . 1 1 41 41 LEU H H 41 8.309 8.309 7.830 0.479 19568 2327 1 9 . 1 1 42 42 ARG N N 42 118.199 118.199 118.936 -0.737 19568 2328 1 9 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.153 -0.142 19568 2329 1 9 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.059 0.037 19568 2330 1 9 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.660 -0.785 19568 2331 1 9 . 1 1 42 42 ARG H H 42 7.957 7.957 7.957 0.000 19568 2332 1 9 . 1 1 43 43 LYS N N 43 119.027 119.027 115.614 3.413 19568 2333 1 9 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.407 -0.233 19568 2334 1 9 . 1 1 43 43 LYS C C 43 176.558 176.558 176.178 0.380 19568 2335 1 9 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.035 1.395 19568 2336 1 9 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.723 -0.147 19568 2337 1 9 . 1 1 43 43 LYS H H 43 7.799 7.799 7.310 0.489 19568 2338 1 9 . 1 1 44 44 ARG N N 44 120.558 120.558 122.927 -2.369 19568 2339 1 9 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.318 -0.146 19568 2340 1 9 . 1 1 44 44 ARG C C 44 175.813 175.813 175.514 0.299 19568 2341 1 9 . 1 1 44 44 ARG CA C 44 56.216 56.216 56.106 0.110 19568 2342 1 9 . 1 1 44 44 ARG CB C 44 30.658 30.658 29.062 1.596 19568 2343 1 9 . 1 1 44 44 ARG H H 44 7.727 7.727 7.819 -0.092 19568 2344 1 9 . 1 1 45 45 GLN N N 45 122.179 122.179 119.883 2.296 19568 2345 1 9 . 1 1 45 45 GLN C C 45 173.795 173.795 173.432 0.363 19568 2346 1 9 . 1 1 45 45 GLN CA C 45 53.615 53.615 55.787 -2.172 19568 2347 1 9 . 1 1 45 45 GLN CB C 45 29.002 29.002 27.532 1.470 19568 2348 1 9 . 1 1 45 45 GLN H H 45 8.141 8.141 7.871 0.270 19568 2349 1 9 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.184 0.198 19568 2350 1 9 . 1 1 46 46 PRO C C 46 176.477 176.477 177.169 -0.692 19568 2351 1 9 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.139 0.108 19568 2352 1 9 . 1 1 46 46 PRO CB C 46 32.072 32.072 32.149 -0.077 19568 2353 1 9 . 1 1 47 47 ASP N N 47 120.424 120.424 123.468 -3.044 19568 2354 1 9 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.431 0.155 19568 2355 1 9 . 1 1 47 47 ASP C C 47 176.316 176.316 175.679 0.637 19568 2356 1 9 . 1 1 47 47 ASP CA C 47 54.356 54.356 54.327 0.029 19568 2357 1 9 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.715 1.832 19568 2358 1 9 . 1 1 47 47 ASP H H 47 8.333 8.333 8.623 -0.290 19568 2359 1 9 . 1 1 48 48 GLY N N 48 108.892 108.892 108.717 0.175 19568 2360 1 9 . 1 1 48 48 GLY C C 48 171.778 171.778 171.872 -0.094 19568 2361 1 9 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.526 0.104 19568 2362 1 9 . 1 1 48 48 GLY H H 48 8.063 8.063 7.892 0.171 19568 2363 1 9 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.591 -0.220 19568 2364 1 9 . 1 1 49 49 PRO C C 49 177.077 177.077 176.929 0.148 19568 2365 1 9 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.544 0.691 19568 2366 1 9 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.387 -0.239 19568 2367 1 9 . 1 1 50 50 LEU N N 50 121.757 121.757 121.550 0.207 19568 2368 1 9 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.120 0.125 19568 2369 1 9 . 1 1 50 50 LEU C C 50 177.320 177.320 176.240 1.080 19568 2370 1 9 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.848 0.416 19568 2371 1 9 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.633 0.615 19568 2372 1 9 . 1 1 50 50 LEU H H 50 8.263 8.263 8.501 -0.238 19568 2373 1 9 . 1 1 51 51 GLU N N 51 121.007 121.007 120.002 1.005 19568 2374 1 9 . 1 1 51 51 GLU CA C 51 56.531 56.531 57.197 -0.666 19568 2375 1 9 . 1 1 51 51 GLU CB C 51 30.370 30.370 30.385 -0.015 19568 2376 1 9 . 1 1 51 51 GLU H H 51 8.166 8.166 8.289 -0.123 19568 2377 1 10 . 1 1 2 2 THR N N 2 113.734 113.734 115.171 -1.437 19568 2378 1 10 . 1 1 2 2 THR HA H 2 4.076 4.076 4.793 -0.717 19568 2379 1 10 . 1 1 2 2 THR C C 2 174.729 174.729 175.656 -0.927 19568 2380 1 10 . 1 1 2 2 THR CA C 2 63.234 63.234 62.149 1.085 19568 2381 1 10 . 1 1 2 2 THR CB C 2 69.247 69.247 69.348 -0.101 19568 2382 1 10 . 1 1 2 2 THR H H 2 8.100 8.100 8.255 -0.155 19568 2383 1 10 . 1 1 3 3 TYR N N 3 119.785 119.785 122.635 -2.850 19568 2384 1 10 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.113 0.126 19568 2385 1 10 . 1 1 3 3 TYR C C 3 175.468 175.468 176.803 -1.335 19568 2386 1 10 . 1 1 3 3 TYR CA C 3 59.361 59.361 61.025 -1.664 19568 2387 1 10 . 1 1 3 3 TYR CB C 3 38.536 38.536 38.360 0.176 19568 2388 1 10 . 1 1 3 3 TYR H H 3 7.911 7.911 8.464 -0.553 19568 2389 1 10 . 1 1 4 4 PHE N N 4 117.223 117.223 116.681 0.542 19568 2390 1 10 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.166 0.274 19568 2391 1 10 . 1 1 4 4 PHE C C 4 174.872 174.872 177.619 -2.747 19568 2392 1 10 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.427 -2.834 19568 2393 1 10 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.730 0.490 19568 2394 1 10 . 1 1 4 4 PHE H H 4 7.634 7.634 8.431 -0.797 19568 2395 1 10 . 1 1 5 5 TYR N N 5 118.715 118.715 118.903 -0.188 19568 2396 1 10 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.326 0.213 19568 2397 1 10 . 1 1 5 5 TYR C C 5 176.539 176.539 178.067 -1.528 19568 2398 1 10 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.432 -2.664 19568 2399 1 10 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.776 -0.509 19568 2400 1 10 . 1 1 5 5 TYR H H 5 7.877 7.877 8.937 -1.060 19568 2401 1 10 . 1 1 6 6 VAL N N 6 118.275 118.275 119.529 -1.254 19568 2402 1 10 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.511 0.423 19568 2403 1 10 . 1 1 6 6 VAL C C 6 176.487 176.487 178.206 -1.719 19568 2404 1 10 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.811 -1.349 19568 2405 1 10 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.145 0.838 19568 2406 1 10 . 1 1 6 6 VAL H H 6 7.930 7.930 8.066 -0.136 19568 2407 1 10 . 1 1 7 7 THR N N 7 111.175 111.175 117.010 -5.835 19568 2408 1 10 . 1 1 7 7 THR HA H 7 4.212 4.212 4.135 0.077 19568 2409 1 10 . 1 1 7 7 THR C C 7 175.536 175.536 176.484 -0.948 19568 2410 1 10 . 1 1 7 7 THR CA C 7 64.289 64.289 67.492 -3.203 19568 2411 1 10 . 1 1 7 7 THR CB C 7 68.479 68.479 68.553 -0.074 19568 2412 1 10 . 1 1 7 7 THR H H 7 7.814 7.814 8.420 -0.606 19568 2413 1 10 . 1 1 8 8 ASP N N 8 121.151 121.151 122.109 -0.958 19568 2414 1 10 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.665 -0.219 19568 2415 1 10 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.975 -0.958 19568 2416 1 10 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.269 0.426 19568 2417 1 10 . 1 1 8 8 ASP H H 8 8.006 8.006 8.257 -0.251 19568 2418 1 10 . 1 1 9 9 TYR N N 9 117.806 117.806 119.096 -1.290 19568 2419 1 10 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.295 0.046 19568 2420 1 10 . 1 1 9 9 TYR C C 9 176.025 176.025 176.350 -0.325 19568 2421 1 10 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.365 -0.840 19568 2422 1 10 . 1 1 9 9 TYR CB C 9 39.333 39.333 39.020 0.313 19568 2423 1 10 . 1 1 9 9 TYR H H 9 7.726 7.726 7.502 0.224 19568 2424 1 10 . 1 1 10 10 LEU N N 10 116.985 116.985 119.491 -2.506 19568 2425 1 10 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.354 -0.077 19568 2426 1 10 . 1 1 10 10 LEU C C 10 175.391 175.391 175.556 -0.165 19568 2427 1 10 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.984 -0.291 19568 2428 1 10 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.100 1.909 19568 2429 1 10 . 1 1 10 10 LEU H H 10 7.514 7.514 7.554 -0.040 19568 2430 1 10 . 1 1 11 11 ASP N N 11 120.049 120.049 120.548 -0.499 19568 2431 1 10 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.814 -0.298 19568 2432 1 10 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.172 0.705 19568 2433 1 10 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.513 -2.903 19568 2434 1 10 . 1 1 11 11 ASP H H 11 7.978 7.978 7.231 0.747 19568 2435 1 10 . 1 1 12 12 VAL N N 12 118.837 118.837 121.649 -2.812 19568 2436 1 10 . 1 1 12 12 VAL CA C 12 59.819 59.819 60.180 -0.361 19568 2437 1 10 . 1 1 12 12 VAL H H 12 7.780 7.780 8.035 -0.255 19568 2438 1 10 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.637 -0.557 19568 2439 1 10 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.414 0.959 19568 2440 1 10 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.786 -0.821 19568 2441 1 10 . 1 1 14 14 SER N N 14 117.102 117.102 117.679 -0.577 19568 2442 1 10 . 1 1 14 14 SER HA H 14 4.080 4.080 3.983 0.097 19568 2443 1 10 . 1 1 14 14 SER CA C 14 61.149 61.149 60.945 0.204 19568 2444 1 10 . 1 1 14 14 SER H H 14 8.631 8.631 8.699 -0.068 19568 2445 1 10 . 1 1 15 15 ASN N N 15 118.240 118.240 120.608 -2.368 19568 2446 1 10 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.493 0.011 19568 2447 1 10 . 1 1 15 15 ASN C C 15 176.447 176.447 177.114 -0.667 19568 2448 1 10 . 1 1 15 15 ASN CA C 15 55.409 55.409 56.229 -0.820 19568 2449 1 10 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.135 -0.677 19568 2450 1 10 . 1 1 15 15 ASN H H 15 8.500 8.500 8.181 0.319 19568 2451 1 10 . 1 1 16 16 ILE N N 16 118.674 118.674 118.463 0.211 19568 2452 1 10 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.992 -0.007 19568 2453 1 10 . 1 1 16 16 ILE C C 16 176.784 176.784 177.134 -0.350 19568 2454 1 10 . 1 1 16 16 ILE CA C 16 62.338 62.338 62.051 0.287 19568 2455 1 10 . 1 1 16 16 ILE CB C 16 37.645 37.645 36.428 1.217 19568 2456 1 10 . 1 1 16 16 ILE H H 16 7.499 7.499 8.338 -0.839 19568 2457 1 10 . 1 1 17 17 ALA N N 17 123.146 123.146 123.032 0.114 19568 2458 1 10 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.126 -0.220 19568 2459 1 10 . 1 1 17 17 ALA C C 17 178.295 178.295 179.644 -1.349 19568 2460 1 10 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.954 0.313 19568 2461 1 10 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.394 0.144 19568 2462 1 10 . 1 1 17 17 ALA H H 17 8.154 8.154 8.144 0.010 19568 2463 1 10 . 1 1 18 18 LYS N N 18 113.996 113.996 119.025 -5.029 19568 2464 1 10 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.268 -0.319 19568 2465 1 10 . 1 1 18 18 LYS C C 18 177.195 177.195 177.952 -0.757 19568 2466 1 10 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.052 1.355 19568 2467 1 10 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.724 0.063 19568 2468 1 10 . 1 1 18 18 LYS H H 18 7.867 7.867 7.570 0.297 19568 2469 1 10 . 1 1 19 19 ILE N N 19 115.051 115.051 119.344 -4.293 19568 2470 1 10 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.924 0.126 19568 2471 1 10 . 1 1 19 19 ILE C C 19 175.727 175.727 177.270 -1.543 19568 2472 1 10 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.120 -1.208 19568 2473 1 10 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.327 0.385 19568 2474 1 10 . 1 1 19 19 ILE H H 19 7.395 7.395 7.541 -0.146 19568 2475 1 10 . 1 1 20 20 ILE N N 20 113.857 113.857 119.678 -5.821 19568 2476 1 10 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.433 -1.010 19568 2477 1 10 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.520 0.352 19568 2478 1 10 . 1 1 20 20 ILE H H 20 7.468 7.468 7.639 -0.171 19568 2479 1 10 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.027 -0.164 19568 2480 1 10 . 1 1 21 21 ILE C C 21 176.210 176.210 178.311 -2.101 19568 2481 1 10 . 1 1 21 21 ILE CA C 21 64.096 64.096 63.930 0.166 19568 2482 1 10 . 1 1 22 22 GLY N N 22 106.975 106.975 109.543 -2.568 19568 2483 1 10 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.570 -0.331 19568 2484 1 10 . 1 1 22 22 GLY H H 22 8.473 8.473 7.972 0.501 19568 2485 1 10 . 1 1 23 23 PRO C C 23 177.086 177.086 178.321 -1.235 19568 2486 1 10 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.389 0.488 19568 2487 1 10 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.521 0.541 19568 2488 1 10 . 1 1 24 24 LEU N N 24 115.805 115.805 118.822 -3.017 19568 2489 1 10 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.274 -0.187 19568 2490 1 10 . 1 1 24 24 LEU C C 24 178.191 178.191 178.582 -0.391 19568 2491 1 10 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.870 0.612 19568 2492 1 10 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.304 -0.337 19568 2493 1 10 . 1 1 24 24 LEU H H 24 7.855 7.855 8.411 -0.556 19568 2494 1 10 . 1 1 25 25 ILE N N 25 118.715 118.715 120.623 -1.908 19568 2495 1 10 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.623 0.100 19568 2496 1 10 . 1 1 25 25 ILE C C 25 177.615 177.615 178.419 -0.804 19568 2497 1 10 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.097 0.293 19568 2498 1 10 . 1 1 25 25 ILE CB C 25 37.068 37.068 36.917 0.151 19568 2499 1 10 . 1 1 25 25 ILE H H 25 8.373 8.373 8.328 0.045 19568 2500 1 10 . 1 1 26 26 PHE N N 26 118.782 118.782 119.335 -0.553 19568 2501 1 10 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.309 -0.327 19568 2502 1 10 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.874 -0.371 19568 2503 1 10 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.320 0.749 19568 2504 1 10 . 1 1 26 26 PHE H H 26 8.191 8.191 7.805 0.386 19568 2505 1 10 . 1 1 27 27 VAL N N 27 118.263 118.263 119.526 -1.263 19568 2506 1 10 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.755 -0.293 19568 2507 1 10 . 1 1 27 27 VAL C C 27 178.431 178.431 178.338 0.093 19568 2508 1 10 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.752 0.488 19568 2509 1 10 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.453 -0.347 19568 2510 1 10 . 1 1 27 27 VAL H H 27 8.530 8.530 7.521 1.009 19568 2511 1 10 . 1 1 28 28 PHE N N 28 122.020 122.020 120.547 1.473 19568 2512 1 10 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.302 -0.137 19568 2513 1 10 . 1 1 28 28 PHE C C 28 176.323 176.323 177.612 -1.289 19568 2514 1 10 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.315 -0.577 19568 2515 1 10 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.303 -0.121 19568 2516 1 10 . 1 1 28 28 PHE H H 28 8.572 8.572 8.325 0.247 19568 2517 1 10 . 1 1 29 29 LEU N N 29 118.508 118.508 120.533 -2.025 19568 2518 1 10 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.953 -0.241 19568 2519 1 10 . 1 1 29 29 LEU C C 29 178.103 178.103 178.852 -0.749 19568 2520 1 10 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.222 -0.051 19568 2521 1 10 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.748 0.247 19568 2522 1 10 . 1 1 29 29 LEU H H 29 8.631 8.631 8.263 0.368 19568 2523 1 10 . 1 1 30 30 PHE N N 30 117.713 117.713 118.611 -0.898 19568 2524 1 10 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.194 -0.335 19568 2525 1 10 . 1 1 30 30 PHE CA C 30 61.654 61.654 62.541 -0.887 19568 2526 1 10 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.984 -0.129 19568 2527 1 10 . 1 1 30 30 PHE H H 30 8.701 8.701 8.318 0.383 19568 2528 1 10 . 1 1 31 31 SER N N 31 115.131 115.131 116.012 -0.881 19568 2529 1 10 . 1 1 31 31 SER HA H 31 3.933 3.933 4.153 -0.220 19568 2530 1 10 . 1 1 31 31 SER C C 31 175.646 175.646 176.963 -1.317 19568 2531 1 10 . 1 1 31 31 SER CA C 31 63.631 63.631 61.599 2.031 19568 2532 1 10 . 1 1 31 31 SER CB C 31 62.767 62.767 62.916 -0.149 19568 2533 1 10 . 1 1 31 31 SER H H 31 8.137 8.137 7.824 0.313 19568 2534 1 10 . 1 1 32 32 VAL N N 32 120.892 120.892 122.777 -1.885 19568 2535 1 10 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.717 -0.256 19568 2536 1 10 . 1 1 32 32 VAL C C 32 178.552 178.552 177.605 0.947 19568 2537 1 10 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.525 -0.128 19568 2538 1 10 . 1 1 32 32 VAL CB C 32 31.352 31.352 32.000 -0.648 19568 2539 1 10 . 1 1 32 32 VAL H H 32 7.820 7.820 8.222 -0.402 19568 2540 1 10 . 1 1 33 33 VAL N N 33 121.892 121.892 120.702 1.190 19568 2541 1 10 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.727 -0.324 19568 2542 1 10 . 1 1 33 33 VAL C C 33 177.129 177.129 178.651 -1.522 19568 2543 1 10 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.437 1.265 19568 2544 1 10 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.507 -0.102 19568 2545 1 10 . 1 1 33 33 VAL H H 33 8.061 8.061 7.918 0.143 19568 2546 1 10 . 1 1 34 34 ILE N N 34 117.742 117.742 118.093 -0.351 19568 2547 1 10 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.961 -0.395 19568 2548 1 10 . 1 1 34 34 ILE C C 34 178.041 178.041 178.640 -0.599 19568 2549 1 10 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.159 1.181 19568 2550 1 10 . 1 1 34 34 ILE CB C 34 36.429 36.429 35.846 0.583 19568 2551 1 10 . 1 1 34 34 ILE H H 34 8.285 8.285 8.335 -0.050 19568 2552 1 10 . 1 1 35 35 GLY N N 35 107.221 107.221 109.135 -1.914 19568 2553 1 10 . 1 1 35 35 GLY C C 35 174.842 174.842 176.193 -1.351 19568 2554 1 10 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.403 0.293 19568 2555 1 10 . 1 1 35 35 GLY H H 35 8.676 8.676 7.890 0.786 19568 2556 1 10 . 1 1 36 36 SER N N 36 117.895 117.895 117.500 0.395 19568 2557 1 10 . 1 1 36 36 SER HA H 36 4.080 4.080 4.268 -0.188 19568 2558 1 10 . 1 1 36 36 SER C C 36 175.749 175.749 176.466 -0.717 19568 2559 1 10 . 1 1 36 36 SER CA C 36 63.895 63.895 60.921 2.974 19568 2560 1 10 . 1 1 36 36 SER CB C 36 63.038 63.038 63.064 -0.026 19568 2561 1 10 . 1 1 36 36 SER H H 36 8.185 8.185 7.864 0.321 19568 2562 1 10 . 1 1 37 37 ILE N N 37 122.412 122.412 122.307 0.105 19568 2563 1 10 . 1 1 37 37 ILE HA H 37 3.650 3.650 4.030 -0.380 19568 2564 1 10 . 1 1 37 37 ILE C C 37 177.436 177.436 177.625 -0.189 19568 2565 1 10 . 1 1 37 37 ILE CA C 37 66.079 66.079 63.589 2.490 19568 2566 1 10 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.184 -0.237 19568 2567 1 10 . 1 1 37 37 ILE H H 37 7.971 7.971 7.877 0.094 19568 2568 1 10 . 1 1 38 38 TYR N N 38 119.517 119.517 120.511 -0.994 19568 2569 1 10 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.110 0.057 19568 2570 1 10 . 1 1 38 38 TYR C C 38 176.818 176.818 178.308 -1.490 19568 2571 1 10 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.690 -0.238 19568 2572 1 10 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.004 0.262 19568 2573 1 10 . 1 1 38 38 TYR H H 38 8.450 8.450 8.363 0.087 19568 2574 1 10 . 1 1 39 39 LEU N N 39 117.459 117.459 119.165 -1.706 19568 2575 1 10 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.870 -0.173 19568 2576 1 10 . 1 1 39 39 LEU C C 39 178.873 178.873 179.190 -0.317 19568 2577 1 10 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.804 0.126 19568 2578 1 10 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.542 0.619 19568 2579 1 10 . 1 1 39 39 LEU H H 39 8.369 8.369 7.749 0.620 19568 2580 1 10 . 1 1 40 40 PHE N N 40 118.068 118.068 118.074 -0.006 19568 2581 1 10 . 1 1 40 40 PHE C C 40 177.002 177.002 177.702 -0.700 19568 2582 1 10 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.140 0.069 19568 2583 1 10 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.751 -3.184 19568 2584 1 10 . 1 1 40 40 PHE H H 40 8.317 8.317 8.271 0.046 19568 2585 1 10 . 1 1 41 41 LEU N N 41 117.738 117.738 119.351 -1.613 19568 2586 1 10 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.083 -0.102 19568 2587 1 10 . 1 1 41 41 LEU C C 41 177.917 177.917 178.151 -0.234 19568 2588 1 10 . 1 1 41 41 LEU CA C 41 56.741 56.741 55.660 1.081 19568 2589 1 10 . 1 1 41 41 LEU CB C 41 42.355 42.355 40.725 1.630 19568 2590 1 10 . 1 1 41 41 LEU H H 41 8.309 8.309 8.450 -0.141 19568 2591 1 10 . 1 1 42 42 ARG N N 42 118.199 118.199 119.479 -1.280 19568 2592 1 10 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.012 -0.001 19568 2593 1 10 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.828 -0.732 19568 2594 1 10 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.819 0.056 19568 2595 1 10 . 1 1 42 42 ARG H H 42 7.957 7.957 7.431 0.526 19568 2596 1 10 . 1 1 43 43 LYS N N 43 119.027 119.027 116.725 2.302 19568 2597 1 10 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.043 0.131 19568 2598 1 10 . 1 1 43 43 LYS C C 43 176.558 176.558 176.857 -0.299 19568 2599 1 10 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.415 0.015 19568 2600 1 10 . 1 1 43 43 LYS CB C 43 32.576 32.576 31.435 1.141 19568 2601 1 10 . 1 1 43 43 LYS H H 43 7.799 7.799 7.340 0.459 19568 2602 1 10 . 1 1 44 44 ARG N N 44 120.558 120.558 120.723 -0.165 19568 2603 1 10 . 1 1 44 44 ARG HA H 44 4.172 4.172 3.985 0.187 19568 2604 1 10 . 1 1 44 44 ARG C C 44 175.813 175.813 175.465 0.348 19568 2605 1 10 . 1 1 44 44 ARG CA C 44 56.216 56.216 57.557 -1.341 19568 2606 1 10 . 1 1 44 44 ARG CB C 44 30.658 30.658 30.360 0.298 19568 2607 1 10 . 1 1 44 44 ARG H H 44 7.727 7.727 7.534 0.193 19568 2608 1 10 . 1 1 45 45 GLN N N 45 122.179 122.179 122.839 -0.660 19568 2609 1 10 . 1 1 45 45 GLN C C 45 173.795 173.795 173.261 0.534 19568 2610 1 10 . 1 1 45 45 GLN CA C 45 53.615 53.615 53.380 0.235 19568 2611 1 10 . 1 1 45 45 GLN CB C 45 29.002 29.002 29.336 -0.334 19568 2612 1 10 . 1 1 45 45 GLN H H 45 8.141 8.141 8.252 -0.111 19568 2613 1 10 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.226 0.156 19568 2614 1 10 . 1 1 46 46 PRO C C 46 176.477 176.477 177.115 -0.638 19568 2615 1 10 . 1 1 46 46 PRO CA C 46 63.247 63.247 62.947 0.301 19568 2616 1 10 . 1 1 46 46 PRO CB C 46 32.072 32.072 32.098 -0.026 19568 2617 1 10 . 1 1 47 47 ASP N N 47 120.424 120.424 120.912 -0.488 19568 2618 1 10 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.431 0.155 19568 2619 1 10 . 1 1 47 47 ASP C C 47 176.316 176.316 176.331 -0.015 19568 2620 1 10 . 1 1 47 47 ASP CA C 47 54.356 54.356 54.724 -0.368 19568 2621 1 10 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.647 1.900 19568 2622 1 10 . 1 1 47 47 ASP H H 47 8.333 8.333 8.596 -0.263 19568 2623 1 10 . 1 1 48 48 GLY N N 48 108.892 108.892 108.596 0.296 19568 2624 1 10 . 1 1 48 48 GLY C C 48 171.778 171.778 172.589 -0.811 19568 2625 1 10 . 1 1 48 48 GLY CA C 48 44.630 44.630 43.624 1.006 19568 2626 1 10 . 1 1 48 48 GLY H H 48 8.063 8.063 8.004 0.059 19568 2627 1 10 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.482 -0.111 19568 2628 1 10 . 1 1 49 49 PRO C C 49 177.077 177.077 176.323 0.754 19568 2629 1 10 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.716 0.519 19568 2630 1 10 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.690 0.458 19568 2631 1 10 . 1 1 50 50 LEU N N 50 121.757 121.757 124.499 -2.742 19568 2632 1 10 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.061 0.184 19568 2633 1 10 . 1 1 50 50 LEU C C 50 177.320 177.320 177.784 -0.464 19568 2634 1 10 . 1 1 50 50 LEU CA C 50 55.264 55.264 56.970 -1.706 19568 2635 1 10 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.878 0.370 19568 2636 1 10 . 1 1 50 50 LEU H H 50 8.263 8.263 8.583 -0.320 19568 2637 1 10 . 1 1 51 51 GLU N N 51 121.007 121.007 117.069 3.938 19568 2638 1 10 . 1 1 51 51 GLU CA C 51 56.531 56.531 55.319 1.212 19568 2639 1 10 . 1 1 51 51 GLU CB C 51 30.370 30.370 31.657 -1.287 19568 2640 1 10 . 1 1 51 51 GLU H H 51 8.166 8.166 7.905 0.261 19568 2641 1 11 . 1 1 2 2 THR N N 2 113.734 113.734 112.462 1.272 19568 2642 1 11 . 1 1 2 2 THR HA H 2 4.076 4.076 4.468 -0.392 19568 2643 1 11 . 1 1 2 2 THR C C 2 174.729 174.729 174.737 -0.008 19568 2644 1 11 . 1 1 2 2 THR CA C 2 63.234 63.234 61.981 1.253 19568 2645 1 11 . 1 1 2 2 THR CB C 2 69.247 69.247 69.162 0.085 19568 2646 1 11 . 1 1 2 2 THR H H 2 8.100 8.100 7.794 0.306 19568 2647 1 11 . 1 1 3 3 TYR N N 3 119.785 119.785 118.727 1.058 19568 2648 1 11 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.835 -0.596 19568 2649 1 11 . 1 1 3 3 TYR C C 3 175.468 175.468 177.212 -1.744 19568 2650 1 11 . 1 1 3 3 TYR CA C 3 59.361 59.361 56.895 2.466 19568 2651 1 11 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.178 1.358 19568 2652 1 11 . 1 1 3 3 TYR H H 3 7.911 7.911 6.892 1.019 19568 2653 1 11 . 1 1 4 4 PHE N N 4 117.223 117.223 120.278 -3.055 19568 2654 1 11 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.069 0.371 19568 2655 1 11 . 1 1 4 4 PHE C C 4 174.872 174.872 176.716 -1.844 19568 2656 1 11 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.559 -2.966 19568 2657 1 11 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.682 0.538 19568 2658 1 11 . 1 1 4 4 PHE H H 4 7.634 7.634 7.832 -0.198 19568 2659 1 11 . 1 1 5 5 TYR N N 5 118.715 118.715 114.693 4.022 19568 2660 1 11 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.268 0.271 19568 2661 1 11 . 1 1 5 5 TYR C C 5 176.539 176.539 178.194 -1.655 19568 2662 1 11 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.558 -2.790 19568 2663 1 11 . 1 1 5 5 TYR CB C 5 38.267 38.267 37.971 0.296 19568 2664 1 11 . 1 1 5 5 TYR H H 5 7.877 7.877 8.198 -0.321 19568 2665 1 11 . 1 1 6 6 VAL N N 6 118.275 118.275 118.611 -0.336 19568 2666 1 11 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.866 0.068 19568 2667 1 11 . 1 1 6 6 VAL C C 6 176.487 176.487 178.341 -1.854 19568 2668 1 11 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.009 -0.547 19568 2669 1 11 . 1 1 6 6 VAL CB C 6 31.983 31.983 30.640 1.343 19568 2670 1 11 . 1 1 6 6 VAL H H 6 7.930 7.930 8.535 -0.605 19568 2671 1 11 . 1 1 7 7 THR N N 7 111.175 111.175 116.162 -4.987 19568 2672 1 11 . 1 1 7 7 THR HA H 7 4.212 4.212 4.232 -0.020 19568 2673 1 11 . 1 1 7 7 THR C C 7 175.536 175.536 176.175 -0.639 19568 2674 1 11 . 1 1 7 7 THR CA C 7 64.289 64.289 65.253 -0.964 19568 2675 1 11 . 1 1 7 7 THR CB C 7 68.479 68.479 68.011 0.468 19568 2676 1 11 . 1 1 7 7 THR H H 7 7.814 7.814 8.364 -0.550 19568 2677 1 11 . 1 1 8 8 ASP N N 8 121.151 121.151 122.459 -1.308 19568 2678 1 11 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.504 -0.058 19568 2679 1 11 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.627 -0.610 19568 2680 1 11 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.460 0.235 19568 2681 1 11 . 1 1 8 8 ASP H H 8 8.006 8.006 8.790 -0.784 19568 2682 1 11 . 1 1 9 9 TYR N N 9 117.806 117.806 117.968 -0.162 19568 2683 1 11 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.460 -0.119 19568 2684 1 11 . 1 1 9 9 TYR C C 9 176.025 176.025 176.652 -0.627 19568 2685 1 11 . 1 1 9 9 TYR CA C 9 59.525 59.525 59.634 -0.109 19568 2686 1 11 . 1 1 9 9 TYR CB C 9 39.333 39.333 39.557 -0.224 19568 2687 1 11 . 1 1 9 9 TYR H H 9 7.726 7.726 7.526 0.200 19568 2688 1 11 . 1 1 10 10 LEU N N 10 116.985 116.985 121.518 -4.533 19568 2689 1 11 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.462 -0.185 19568 2690 1 11 . 1 1 10 10 LEU C C 10 175.391 175.391 175.194 0.197 19568 2691 1 11 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.601 0.092 19568 2692 1 11 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.785 1.224 19568 2693 1 11 . 1 1 10 10 LEU H H 10 7.514 7.514 7.289 0.225 19568 2694 1 11 . 1 1 11 11 ASP N N 11 120.049 120.049 120.659 -0.610 19568 2695 1 11 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.846 -0.330 19568 2696 1 11 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.644 0.233 19568 2697 1 11 . 1 1 11 11 ASP CB C 11 40.610 40.610 42.516 -1.906 19568 2698 1 11 . 1 1 11 11 ASP H H 11 7.978 7.978 7.352 0.626 19568 2699 1 11 . 1 1 12 12 VAL N N 12 118.837 118.837 123.953 -5.116 19568 2700 1 11 . 1 1 12 12 VAL CA C 12 59.819 59.819 59.785 0.034 19568 2701 1 11 . 1 1 12 12 VAL H H 12 7.780 7.780 8.130 -0.350 19568 2702 1 11 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.576 -0.496 19568 2703 1 11 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.722 0.651 19568 2704 1 11 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.587 -0.622 19568 2705 1 11 . 1 1 14 14 SER N N 14 117.102 117.102 117.892 -0.790 19568 2706 1 11 . 1 1 14 14 SER HA H 14 4.080 4.080 4.156 -0.076 19568 2707 1 11 . 1 1 14 14 SER CA C 14 61.149 61.149 59.982 1.167 19568 2708 1 11 . 1 1 14 14 SER H H 14 8.631 8.631 8.628 0.003 19568 2709 1 11 . 1 1 15 15 ASN N N 15 118.240 118.240 119.959 -1.719 19568 2710 1 11 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.478 0.026 19568 2711 1 11 . 1 1 15 15 ASN C C 15 176.447 176.447 177.236 -0.789 19568 2712 1 11 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.919 -0.510 19568 2713 1 11 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.227 -0.769 19568 2714 1 11 . 1 1 15 15 ASN H H 15 8.500 8.500 8.445 0.055 19568 2715 1 11 . 1 1 16 16 ILE N N 16 118.674 118.674 119.112 -0.438 19568 2716 1 11 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.888 0.097 19568 2717 1 11 . 1 1 16 16 ILE C C 16 176.784 176.784 176.821 -0.037 19568 2718 1 11 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.664 -1.326 19568 2719 1 11 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.800 -0.155 19568 2720 1 11 . 1 1 16 16 ILE H H 16 7.499 7.499 7.929 -0.430 19568 2721 1 11 . 1 1 17 17 ALA N N 17 123.146 123.146 122.635 0.511 19568 2722 1 11 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.123 -0.217 19568 2723 1 11 . 1 1 17 17 ALA C C 17 178.295 178.295 179.299 -1.004 19568 2724 1 11 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.970 0.297 19568 2725 1 11 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.360 0.178 19568 2726 1 11 . 1 1 17 17 ALA H H 17 8.154 8.154 8.100 0.054 19568 2727 1 11 . 1 1 18 18 LYS N N 18 113.996 113.996 118.978 -4.982 19568 2728 1 11 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.235 -0.286 19568 2729 1 11 . 1 1 18 18 LYS C C 18 177.195 177.195 178.063 -0.868 19568 2730 1 11 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.053 1.354 19568 2731 1 11 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.752 0.035 19568 2732 1 11 . 1 1 18 18 LYS H H 18 7.867 7.867 7.501 0.366 19568 2733 1 11 . 1 1 19 19 ILE N N 19 115.051 115.051 119.169 -4.118 19568 2734 1 11 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.846 0.204 19568 2735 1 11 . 1 1 19 19 ILE C C 19 175.727 175.727 177.338 -1.611 19568 2736 1 11 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.028 -1.116 19568 2737 1 11 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.454 0.258 19568 2738 1 11 . 1 1 19 19 ILE H H 19 7.395 7.395 7.664 -0.269 19568 2739 1 11 . 1 1 20 20 ILE N N 20 113.857 113.857 119.715 -5.858 19568 2740 1 11 . 1 1 20 20 ILE CA C 20 62.423 62.423 61.988 0.435 19568 2741 1 11 . 1 1 20 20 ILE CB C 20 38.872 38.872 39.306 -0.434 19568 2742 1 11 . 1 1 20 20 ILE H H 20 7.468 7.468 7.454 0.014 19568 2743 1 11 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.212 -0.349 19568 2744 1 11 . 1 1 21 21 ILE C C 21 176.210 176.210 177.341 -1.131 19568 2745 1 11 . 1 1 21 21 ILE CA C 21 64.096 64.096 60.948 3.148 19568 2746 1 11 . 1 1 22 22 GLY N N 22 106.975 106.975 109.691 -2.716 19568 2747 1 11 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.427 -0.188 19568 2748 1 11 . 1 1 22 22 GLY H H 22 8.473 8.473 7.928 0.545 19568 2749 1 11 . 1 1 23 23 PRO C C 23 177.086 177.086 178.109 -1.023 19568 2750 1 11 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.212 0.665 19568 2751 1 11 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.376 0.686 19568 2752 1 11 . 1 1 24 24 LEU N N 24 115.805 115.805 118.721 -2.916 19568 2753 1 11 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.259 -0.172 19568 2754 1 11 . 1 1 24 24 LEU C C 24 178.191 178.191 178.539 -0.348 19568 2755 1 11 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.672 0.810 19568 2756 1 11 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.246 -0.279 19568 2757 1 11 . 1 1 24 24 LEU H H 24 7.855 7.855 7.920 -0.065 19568 2758 1 11 . 1 1 25 25 ILE N N 25 118.715 118.715 120.797 -2.082 19568 2759 1 11 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.666 0.057 19568 2760 1 11 . 1 1 25 25 ILE C C 25 177.615 177.615 178.344 -0.729 19568 2761 1 11 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.623 -0.233 19568 2762 1 11 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.781 -0.713 19568 2763 1 11 . 1 1 25 25 ILE H H 25 8.373 8.373 8.270 0.103 19568 2764 1 11 . 1 1 26 26 PHE N N 26 118.782 118.782 118.548 0.234 19568 2765 1 11 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.383 -0.401 19568 2766 1 11 . 1 1 26 26 PHE CA C 26 62.503 62.503 61.466 1.037 19568 2767 1 11 . 1 1 26 26 PHE CB C 26 39.069 39.069 37.850 1.218 19568 2768 1 11 . 1 1 26 26 PHE H H 26 8.191 8.191 8.100 0.091 19568 2769 1 11 . 1 1 27 27 VAL N N 27 118.263 118.263 120.135 -1.872 19568 2770 1 11 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.813 -0.351 19568 2771 1 11 . 1 1 27 27 VAL C C 27 178.431 178.431 178.092 0.339 19568 2772 1 11 . 1 1 27 27 VAL CA C 27 67.240 67.240 65.547 1.693 19568 2773 1 11 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.221 -0.115 19568 2774 1 11 . 1 1 27 27 VAL H H 27 8.530 8.530 7.762 0.768 19568 2775 1 11 . 1 1 28 28 PHE N N 28 122.020 122.020 120.849 1.171 19568 2776 1 11 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.289 -0.124 19568 2777 1 11 . 1 1 28 28 PHE C C 28 176.323 176.323 177.545 -1.222 19568 2778 1 11 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.520 -0.782 19568 2779 1 11 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.286 -0.104 19568 2780 1 11 . 1 1 28 28 PHE H H 28 8.572 8.572 8.289 0.283 19568 2781 1 11 . 1 1 29 29 LEU N N 29 118.508 118.508 120.870 -2.362 19568 2782 1 11 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.034 -0.322 19568 2783 1 11 . 1 1 29 29 LEU C C 29 178.103 178.103 178.402 -0.299 19568 2784 1 11 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.103 0.068 19568 2785 1 11 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.616 0.379 19568 2786 1 11 . 1 1 29 29 LEU H H 29 8.631 8.631 8.220 0.411 19568 2787 1 11 . 1 1 30 30 PHE N N 30 117.713 117.713 118.371 -0.658 19568 2788 1 11 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.152 -0.293 19568 2789 1 11 . 1 1 30 30 PHE CA C 30 61.654 61.654 62.572 -0.918 19568 2790 1 11 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.731 0.124 19568 2791 1 11 . 1 1 30 30 PHE H H 30 8.701 8.701 8.553 0.148 19568 2792 1 11 . 1 1 31 31 SER N N 31 115.131 115.131 116.034 -0.903 19568 2793 1 11 . 1 1 31 31 SER HA H 31 3.933 3.933 4.200 -0.267 19568 2794 1 11 . 1 1 31 31 SER C C 31 175.646 175.646 176.565 -0.919 19568 2795 1 11 . 1 1 31 31 SER CA C 31 63.631 63.631 62.475 1.156 19568 2796 1 11 . 1 1 31 31 SER CB C 31 62.767 62.767 62.939 -0.172 19568 2797 1 11 . 1 1 31 31 SER H H 31 8.137 8.137 8.092 0.045 19568 2798 1 11 . 1 1 32 32 VAL N N 32 120.892 120.892 122.124 -1.232 19568 2799 1 11 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.636 -0.175 19568 2800 1 11 . 1 1 32 32 VAL C C 32 178.552 178.552 177.215 1.337 19568 2801 1 11 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.824 -0.427 19568 2802 1 11 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.787 -0.435 19568 2803 1 11 . 1 1 32 32 VAL H H 32 7.820 7.820 8.082 -0.262 19568 2804 1 11 . 1 1 33 33 VAL N N 33 121.892 121.892 120.602 1.290 19568 2805 1 11 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.722 -0.319 19568 2806 1 11 . 1 1 33 33 VAL C C 33 177.129 177.129 178.672 -1.543 19568 2807 1 11 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.153 1.549 19568 2808 1 11 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.101 0.304 19568 2809 1 11 . 1 1 33 33 VAL H H 33 8.061 8.061 7.608 0.453 19568 2810 1 11 . 1 1 34 34 ILE N N 34 117.742 117.742 118.765 -1.023 19568 2811 1 11 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.876 -0.310 19568 2812 1 11 . 1 1 34 34 ILE C C 34 178.041 178.041 177.907 0.134 19568 2813 1 11 . 1 1 34 34 ILE CA C 34 64.340 64.340 62.840 1.500 19568 2814 1 11 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.800 -0.371 19568 2815 1 11 . 1 1 34 34 ILE H H 34 8.285 8.285 7.890 0.395 19568 2816 1 11 . 1 1 35 35 GLY N N 35 107.221 107.221 108.749 -1.528 19568 2817 1 11 . 1 1 35 35 GLY C C 35 174.842 174.842 176.263 -1.421 19568 2818 1 11 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.408 0.288 19568 2819 1 11 . 1 1 35 35 GLY H H 35 8.676 8.676 8.002 0.674 19568 2820 1 11 . 1 1 36 36 SER N N 36 117.895 117.895 117.776 0.119 19568 2821 1 11 . 1 1 36 36 SER HA H 36 4.080 4.080 4.340 -0.260 19568 2822 1 11 . 1 1 36 36 SER C C 36 175.749 175.749 176.977 -1.228 19568 2823 1 11 . 1 1 36 36 SER CA C 36 63.895 63.895 61.643 2.252 19568 2824 1 11 . 1 1 36 36 SER CB C 36 63.038 63.038 63.011 0.027 19568 2825 1 11 . 1 1 36 36 SER H H 36 8.185 8.185 8.531 -0.346 19568 2826 1 11 . 1 1 37 37 ILE N N 37 122.412 122.412 123.102 -0.690 19568 2827 1 11 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.973 -0.323 19568 2828 1 11 . 1 1 37 37 ILE C C 37 177.436 177.436 177.304 0.132 19568 2829 1 11 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.005 2.074 19568 2830 1 11 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.216 0.731 19568 2831 1 11 . 1 1 37 37 ILE H H 37 7.971 7.971 8.076 -0.105 19568 2832 1 11 . 1 1 38 38 TYR N N 38 119.517 119.517 121.497 -1.980 19568 2833 1 11 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.084 0.083 19568 2834 1 11 . 1 1 38 38 TYR C C 38 176.818 176.818 177.777 -0.959 19568 2835 1 11 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.514 -0.062 19568 2836 1 11 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.194 0.072 19568 2837 1 11 . 1 1 38 38 TYR H H 38 8.450 8.450 7.818 0.632 19568 2838 1 11 . 1 1 39 39 LEU N N 39 117.459 117.459 118.692 -1.233 19568 2839 1 11 . 1 1 39 39 LEU HA H 39 3.697 3.697 4.055 -0.358 19568 2840 1 11 . 1 1 39 39 LEU C C 39 178.873 178.873 178.786 0.087 19568 2841 1 11 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.959 -0.029 19568 2842 1 11 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.494 0.667 19568 2843 1 11 . 1 1 39 39 LEU H H 39 8.369 8.369 7.745 0.624 19568 2844 1 11 . 1 1 40 40 PHE N N 40 118.068 118.068 119.279 -1.211 19568 2845 1 11 . 1 1 40 40 PHE C C 40 177.002 177.002 176.904 0.098 19568 2846 1 11 . 1 1 40 40 PHE CA C 40 61.209 61.209 60.549 0.660 19568 2847 1 11 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.358 -3.791 19568 2848 1 11 . 1 1 40 40 PHE H H 40 8.317 8.317 7.450 0.867 19568 2849 1 11 . 1 1 41 41 LEU N N 41 117.738 117.738 121.305 -3.567 19568 2850 1 11 . 1 1 41 41 LEU HA H 41 3.981 3.981 3.987 -0.006 19568 2851 1 11 . 1 1 41 41 LEU C C 41 177.917 177.917 177.372 0.545 19568 2852 1 11 . 1 1 41 41 LEU CA C 41 56.741 56.741 55.437 1.304 19568 2853 1 11 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.888 0.467 19568 2854 1 11 . 1 1 41 41 LEU H H 41 8.309 8.309 8.758 -0.449 19568 2855 1 11 . 1 1 42 42 ARG N N 42 118.199 118.199 120.226 -2.027 19568 2856 1 11 . 1 1 42 42 ARG HA H 42 4.011 4.011 3.638 0.373 19568 2857 1 11 . 1 1 42 42 ARG CA C 42 57.096 57.096 58.593 -1.498 19568 2858 1 11 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.700 0.175 19568 2859 1 11 . 1 1 42 42 ARG H H 42 7.957 7.957 8.172 -0.215 19568 2860 1 11 . 1 1 43 43 LYS N N 43 119.027 119.027 116.538 2.489 19568 2861 1 11 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.076 0.098 19568 2862 1 11 . 1 1 43 43 LYS C C 43 176.558 176.558 176.618 -0.060 19568 2863 1 11 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.508 -0.078 19568 2864 1 11 . 1 1 43 43 LYS CB C 43 32.576 32.576 31.854 0.722 19568 2865 1 11 . 1 1 43 43 LYS H H 43 7.799 7.799 7.254 0.545 19568 2866 1 11 . 1 1 44 44 ARG N N 44 120.558 120.558 119.386 1.172 19568 2867 1 11 . 1 1 44 44 ARG HA H 44 4.172 4.172 3.808 0.364 19568 2868 1 11 . 1 1 44 44 ARG C C 44 175.813 175.813 175.507 0.306 19568 2869 1 11 . 1 1 44 44 ARG CA C 44 56.216 56.216 58.027 -1.811 19568 2870 1 11 . 1 1 44 44 ARG CB C 44 30.658 30.658 28.637 2.021 19568 2871 1 11 . 1 1 44 44 ARG H H 44 7.727 7.727 8.004 -0.277 19568 2872 1 11 . 1 1 45 45 GLN N N 45 122.179 122.179 114.934 7.245 19568 2873 1 11 . 1 1 45 45 GLN C C 45 173.795 173.795 173.732 0.063 19568 2874 1 11 . 1 1 45 45 GLN CA C 45 53.615 53.615 55.888 -2.273 19568 2875 1 11 . 1 1 45 45 GLN CB C 45 29.002 29.002 26.891 2.111 19568 2876 1 11 . 1 1 45 45 GLN H H 45 8.141 8.141 8.581 -0.440 19568 2877 1 11 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.295 0.087 19568 2878 1 11 . 1 1 46 46 PRO C C 46 176.477 176.477 177.162 -0.685 19568 2879 1 11 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.788 -0.541 19568 2880 1 11 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.773 0.299 19568 2881 1 11 . 1 1 47 47 ASP N N 47 120.424 120.424 118.500 1.924 19568 2882 1 11 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.470 0.116 19568 2883 1 11 . 1 1 47 47 ASP C C 47 176.316 176.316 176.649 -0.333 19568 2884 1 11 . 1 1 47 47 ASP CA C 47 54.356 54.356 52.830 1.526 19568 2885 1 11 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.187 3.360 19568 2886 1 11 . 1 1 47 47 ASP H H 47 8.333 8.333 8.376 -0.043 19568 2887 1 11 . 1 1 48 48 GLY N N 48 108.892 108.892 108.355 0.537 19568 2888 1 11 . 1 1 48 48 GLY C C 48 171.778 171.778 175.047 -3.269 19568 2889 1 11 . 1 1 48 48 GLY CA C 48 44.630 44.630 43.996 0.634 19568 2890 1 11 . 1 1 48 48 GLY H H 48 8.063 8.063 8.168 -0.105 19568 2891 1 11 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.294 0.077 19568 2892 1 11 . 1 1 49 49 PRO C C 49 177.077 177.077 175.913 1.164 19568 2893 1 11 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.481 -0.246 19568 2894 1 11 . 1 1 49 49 PRO CB C 49 32.148 32.148 29.866 2.282 19568 2895 1 11 . 1 1 50 50 LEU N N 50 121.757 121.757 119.125 2.632 19568 2896 1 11 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.233 0.012 19568 2897 1 11 . 1 1 50 50 LEU C C 50 177.320 177.320 178.141 -0.821 19568 2898 1 11 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.162 0.102 19568 2899 1 11 . 1 1 50 50 LEU CB C 50 42.248 42.248 42.263 -0.014 19568 2900 1 11 . 1 1 50 50 LEU H H 50 8.263 8.263 8.302 -0.039 19568 2901 1 11 . 1 1 51 51 GLU N N 51 121.007 121.007 117.511 3.496 19568 2902 1 11 . 1 1 51 51 GLU CA C 51 56.531 56.531 57.221 -0.690 19568 2903 1 11 . 1 1 51 51 GLU CB C 51 30.370 30.370 28.576 1.794 19568 2904 1 11 . 1 1 51 51 GLU H H 51 8.166 8.166 8.215 -0.049 19568 2905 1 12 . 1 1 2 2 THR N N 2 113.734 113.734 115.741 -2.007 19568 2906 1 12 . 1 1 2 2 THR HA H 2 4.076 4.076 4.471 -0.395 19568 2907 1 12 . 1 1 2 2 THR C C 2 174.729 174.729 174.700 0.029 19568 2908 1 12 . 1 1 2 2 THR CA C 2 63.234 63.234 61.942 1.292 19568 2909 1 12 . 1 1 2 2 THR CB C 2 69.247 69.247 69.094 0.153 19568 2910 1 12 . 1 1 2 2 THR H H 2 8.100 8.100 8.394 -0.294 19568 2911 1 12 . 1 1 3 3 TYR N N 3 119.785 119.785 120.154 -0.369 19568 2912 1 12 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.585 -0.346 19568 2913 1 12 . 1 1 3 3 TYR C C 3 175.468 175.468 177.132 -1.664 19568 2914 1 12 . 1 1 3 3 TYR CA C 3 59.361 59.361 59.402 -0.041 19568 2915 1 12 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.980 0.556 19568 2916 1 12 . 1 1 3 3 TYR H H 3 7.911 7.911 7.838 0.073 19568 2917 1 12 . 1 1 4 4 PHE N N 4 117.223 117.223 119.412 -2.189 19568 2918 1 12 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.137 0.303 19568 2919 1 12 . 1 1 4 4 PHE C C 4 174.872 174.872 177.217 -2.345 19568 2920 1 12 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.328 -2.736 19568 2921 1 12 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.730 0.490 19568 2922 1 12 . 1 1 4 4 PHE H H 4 7.634 7.634 8.591 -0.957 19568 2923 1 12 . 1 1 5 5 TYR N N 5 118.715 118.715 118.325 0.390 19568 2924 1 12 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.279 0.260 19568 2925 1 12 . 1 1 5 5 TYR C C 5 176.539 176.539 177.271 -0.732 19568 2926 1 12 . 1 1 5 5 TYR CA C 5 58.768 58.768 62.233 -3.465 19568 2927 1 12 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.421 -0.154 19568 2928 1 12 . 1 1 5 5 TYR H H 5 7.877 7.877 8.336 -0.459 19568 2929 1 12 . 1 1 6 6 VAL N N 6 118.275 118.275 117.414 0.861 19568 2930 1 12 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.848 0.086 19568 2931 1 12 . 1 1 6 6 VAL C C 6 176.487 176.487 176.958 -0.471 19568 2932 1 12 . 1 1 6 6 VAL CA C 6 64.462 64.462 64.557 -0.095 19568 2933 1 12 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.205 0.778 19568 2934 1 12 . 1 1 6 6 VAL H H 6 7.930 7.930 7.572 0.358 19568 2935 1 12 . 1 1 7 7 THR N N 7 111.175 111.175 117.270 -6.095 19568 2936 1 12 . 1 1 7 7 THR HA H 7 4.212 4.212 4.402 -0.190 19568 2937 1 12 . 1 1 7 7 THR C C 7 175.536 175.536 176.275 -0.739 19568 2938 1 12 . 1 1 7 7 THR CA C 7 64.289 64.289 65.383 -1.094 19568 2939 1 12 . 1 1 7 7 THR CB C 7 68.479 68.479 68.779 -0.300 19568 2940 1 12 . 1 1 7 7 THR H H 7 7.814 7.814 8.249 -0.435 19568 2941 1 12 . 1 1 8 8 ASP N N 8 121.151 121.151 123.387 -2.236 19568 2942 1 12 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.375 0.071 19568 2943 1 12 . 1 1 8 8 ASP CA C 8 56.017 56.017 57.378 -1.361 19568 2944 1 12 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.371 0.324 19568 2945 1 12 . 1 1 8 8 ASP H H 8 8.006 8.006 7.809 0.197 19568 2946 1 12 . 1 1 9 9 TYR N N 9 117.806 117.806 119.100 -1.294 19568 2947 1 12 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.253 0.088 19568 2948 1 12 . 1 1 9 9 TYR C C 9 176.025 176.025 176.131 -0.106 19568 2949 1 12 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.381 -0.856 19568 2950 1 12 . 1 1 9 9 TYR CB C 9 39.333 39.333 39.063 0.270 19568 2951 1 12 . 1 1 9 9 TYR H H 9 7.726 7.726 7.610 0.116 19568 2952 1 12 . 1 1 10 10 LEU N N 10 116.985 116.985 117.649 -0.664 19568 2953 1 12 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.512 -0.235 19568 2954 1 12 . 1 1 10 10 LEU C C 10 175.391 175.391 175.015 0.376 19568 2955 1 12 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.615 0.078 19568 2956 1 12 . 1 1 10 10 LEU CB C 10 43.009 43.009 44.263 -1.254 19568 2957 1 12 . 1 1 10 10 LEU H H 10 7.514 7.514 7.905 -0.391 19568 2958 1 12 . 1 1 11 11 ASP N N 11 120.049 120.049 120.136 -0.087 19568 2959 1 12 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.794 -0.278 19568 2960 1 12 . 1 1 11 11 ASP CA C 11 53.877 53.877 52.813 1.064 19568 2961 1 12 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.747 -3.137 19568 2962 1 12 . 1 1 11 11 ASP H H 11 7.978 7.978 7.452 0.526 19568 2963 1 12 . 1 1 12 12 VAL N N 12 118.837 118.837 121.450 -2.613 19568 2964 1 12 . 1 1 12 12 VAL CA C 12 59.819 59.819 61.431 -1.612 19568 2965 1 12 . 1 1 12 12 VAL H H 12 7.780 7.780 8.218 -0.438 19568 2966 1 12 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.679 -0.599 19568 2967 1 12 . 1 1 13 13 PRO CA C 13 63.373 63.373 61.993 1.380 19568 2968 1 12 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.682 -0.717 19568 2969 1 12 . 1 1 14 14 SER N N 14 117.102 117.102 116.421 0.681 19568 2970 1 12 . 1 1 14 14 SER HA H 14 4.080 4.080 4.185 -0.105 19568 2971 1 12 . 1 1 14 14 SER CA C 14 61.149 61.149 60.091 1.058 19568 2972 1 12 . 1 1 14 14 SER H H 14 8.631 8.631 8.985 -0.354 19568 2973 1 12 . 1 1 15 15 ASN N N 15 118.240 118.240 120.708 -2.468 19568 2974 1 12 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.524 -0.020 19568 2975 1 12 . 1 1 15 15 ASN C C 15 176.447 176.447 177.147 -0.700 19568 2976 1 12 . 1 1 15 15 ASN CA C 15 55.409 55.409 56.265 -0.856 19568 2977 1 12 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.363 -0.905 19568 2978 1 12 . 1 1 15 15 ASN H H 15 8.500 8.500 8.235 0.265 19568 2979 1 12 . 1 1 16 16 ILE N N 16 118.674 118.674 118.556 0.118 19568 2980 1 12 . 1 1 16 16 ILE HA H 16 3.985 3.985 4.005 -0.020 19568 2981 1 12 . 1 1 16 16 ILE C C 16 176.784 176.784 177.241 -0.457 19568 2982 1 12 . 1 1 16 16 ILE CA C 16 62.338 62.338 62.287 0.051 19568 2983 1 12 . 1 1 16 16 ILE CB C 16 37.645 37.645 36.478 1.167 19568 2984 1 12 . 1 1 16 16 ILE H H 16 7.499 7.499 8.019 -0.520 19568 2985 1 12 . 1 1 17 17 ALA N N 17 123.146 123.146 123.001 0.145 19568 2986 1 12 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.139 -0.233 19568 2987 1 12 . 1 1 17 17 ALA C C 17 178.295 178.295 179.654 -1.359 19568 2988 1 12 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.986 0.281 19568 2989 1 12 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.410 0.129 19568 2990 1 12 . 1 1 17 17 ALA H H 17 8.154 8.154 8.221 -0.067 19568 2991 1 12 . 1 1 18 18 LYS N N 18 113.996 113.996 118.783 -4.787 19568 2992 1 12 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.288 -0.339 19568 2993 1 12 . 1 1 18 18 LYS C C 18 177.195 177.195 178.002 -0.807 19568 2994 1 12 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.194 1.212 19568 2995 1 12 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.638 0.149 19568 2996 1 12 . 1 1 18 18 LYS H H 18 7.867 7.867 7.579 0.288 19568 2997 1 12 . 1 1 19 19 ILE N N 19 115.051 115.051 119.291 -4.240 19568 2998 1 12 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.965 0.085 19568 2999 1 12 . 1 1 19 19 ILE C C 19 175.727 175.727 177.182 -1.455 19568 3000 1 12 . 1 1 19 19 ILE CA C 19 62.912 62.912 62.900 0.012 19568 3001 1 12 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.169 0.544 19568 3002 1 12 . 1 1 19 19 ILE H H 19 7.395 7.395 7.513 -0.118 19568 3003 1 12 . 1 1 20 20 ILE N N 20 113.857 113.857 119.978 -6.121 19568 3004 1 12 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.627 -1.204 19568 3005 1 12 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.449 0.423 19568 3006 1 12 . 1 1 20 20 ILE H H 20 7.468 7.468 7.631 -0.163 19568 3007 1 12 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.161 -0.298 19568 3008 1 12 . 1 1 21 21 ILE C C 21 176.210 176.210 177.473 -1.263 19568 3009 1 12 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.219 1.877 19568 3010 1 12 . 1 1 22 22 GLY N N 22 106.975 106.975 109.675 -2.700 19568 3011 1 12 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.411 -0.172 19568 3012 1 12 . 1 1 22 22 GLY H H 22 8.473 8.473 7.828 0.645 19568 3013 1 12 . 1 1 23 23 PRO C C 23 177.086 177.086 177.956 -0.870 19568 3014 1 12 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.386 0.491 19568 3015 1 12 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.439 0.624 19568 3016 1 12 . 1 1 24 24 LEU N N 24 115.805 115.805 118.343 -2.538 19568 3017 1 12 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.283 -0.196 19568 3018 1 12 . 1 1 24 24 LEU C C 24 178.191 178.191 178.502 -0.311 19568 3019 1 12 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.408 1.074 19568 3020 1 12 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.226 -0.259 19568 3021 1 12 . 1 1 24 24 LEU H H 24 7.855 7.855 7.558 0.297 19568 3022 1 12 . 1 1 25 25 ILE N N 25 118.715 118.715 121.173 -2.458 19568 3023 1 12 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.713 0.010 19568 3024 1 12 . 1 1 25 25 ILE C C 25 177.615 177.615 177.467 0.148 19568 3025 1 12 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.395 -0.005 19568 3026 1 12 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.858 -0.791 19568 3027 1 12 . 1 1 25 25 ILE H H 25 8.373 8.373 8.269 0.104 19568 3028 1 12 . 1 1 26 26 PHE N N 26 118.782 118.782 119.949 -1.167 19568 3029 1 12 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.228 -0.246 19568 3030 1 12 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.646 -0.143 19568 3031 1 12 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.878 0.191 19568 3032 1 12 . 1 1 26 26 PHE H H 26 8.191 8.191 8.055 0.136 19568 3033 1 12 . 1 1 27 27 VAL N N 27 118.263 118.263 116.935 1.328 19568 3034 1 12 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.711 -0.249 19568 3035 1 12 . 1 1 27 27 VAL C C 27 178.431 178.431 177.843 0.588 19568 3036 1 12 . 1 1 27 27 VAL CA C 27 67.240 67.240 65.950 1.290 19568 3037 1 12 . 1 1 27 27 VAL CB C 27 31.106 31.106 30.993 0.113 19568 3038 1 12 . 1 1 27 27 VAL H H 27 8.530 8.530 7.783 0.747 19568 3039 1 12 . 1 1 28 28 PHE N N 28 122.020 122.020 121.970 0.050 19568 3040 1 12 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.280 -0.115 19568 3041 1 12 . 1 1 28 28 PHE C C 28 176.323 176.323 177.377 -1.054 19568 3042 1 12 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.674 -0.936 19568 3043 1 12 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.274 -0.092 19568 3044 1 12 . 1 1 28 28 PHE H H 28 8.572 8.572 8.572 0.000 19568 3045 1 12 . 1 1 29 29 LEU N N 29 118.508 118.508 119.793 -1.285 19568 3046 1 12 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.927 -0.215 19568 3047 1 12 . 1 1 29 29 LEU C C 29 178.103 178.103 178.647 -0.544 19568 3048 1 12 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.976 0.195 19568 3049 1 12 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.883 0.112 19568 3050 1 12 . 1 1 29 29 LEU H H 29 8.631 8.631 8.646 -0.015 19568 3051 1 12 . 1 1 30 30 PHE N N 30 117.713 117.713 118.816 -1.103 19568 3052 1 12 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.091 -0.232 19568 3053 1 12 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.788 -0.133 19568 3054 1 12 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.033 -0.178 19568 3055 1 12 . 1 1 30 30 PHE H H 30 8.701 8.701 7.808 0.893 19568 3056 1 12 . 1 1 31 31 SER N N 31 115.131 115.131 115.488 -0.357 19568 3057 1 12 . 1 1 31 31 SER HA H 31 3.933 3.933 4.216 -0.283 19568 3058 1 12 . 1 1 31 31 SER C C 31 175.646 175.646 176.848 -1.202 19568 3059 1 12 . 1 1 31 31 SER CA C 31 63.631 63.631 61.965 1.666 19568 3060 1 12 . 1 1 31 31 SER CB C 31 62.767 62.767 62.843 -0.076 19568 3061 1 12 . 1 1 31 31 SER H H 31 8.137 8.137 8.382 -0.245 19568 3062 1 12 . 1 1 32 32 VAL N N 32 120.892 120.892 121.786 -0.894 19568 3063 1 12 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.509 -0.048 19568 3064 1 12 . 1 1 32 32 VAL C C 32 178.552 178.552 177.541 1.011 19568 3065 1 12 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.069 0.328 19568 3066 1 12 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.347 0.005 19568 3067 1 12 . 1 1 32 32 VAL H H 32 7.820 7.820 7.952 -0.132 19568 3068 1 12 . 1 1 33 33 VAL N N 33 121.892 121.892 119.611 2.281 19568 3069 1 12 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.485 -0.082 19568 3070 1 12 . 1 1 33 33 VAL C C 33 177.129 177.129 178.144 -1.015 19568 3071 1 12 . 1 1 33 33 VAL CA C 33 67.702 67.702 67.045 0.657 19568 3072 1 12 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.314 0.092 19568 3073 1 12 . 1 1 33 33 VAL H H 33 8.061 8.061 7.275 0.786 19568 3074 1 12 . 1 1 34 34 ILE N N 34 117.742 117.742 118.097 -0.355 19568 3075 1 12 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.758 -0.192 19568 3076 1 12 . 1 1 34 34 ILE C C 34 178.041 178.041 178.264 -0.223 19568 3077 1 12 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.406 -0.066 19568 3078 1 12 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.036 -0.607 19568 3079 1 12 . 1 1 34 34 ILE H H 34 8.285 8.285 7.800 0.485 19568 3080 1 12 . 1 1 35 35 GLY N N 35 107.221 107.221 108.340 -1.119 19568 3081 1 12 . 1 1 35 35 GLY C C 35 174.842 174.842 176.258 -1.416 19568 3082 1 12 . 1 1 35 35 GLY CA C 35 47.696 47.696 46.940 0.756 19568 3083 1 12 . 1 1 35 35 GLY H H 35 8.676 8.676 7.240 1.436 19568 3084 1 12 . 1 1 36 36 SER N N 36 117.895 117.895 117.745 0.150 19568 3085 1 12 . 1 1 36 36 SER HA H 36 4.080 4.080 4.270 -0.190 19568 3086 1 12 . 1 1 36 36 SER C C 36 175.749 175.749 176.956 -1.207 19568 3087 1 12 . 1 1 36 36 SER CA C 36 63.895 63.895 61.980 1.915 19568 3088 1 12 . 1 1 36 36 SER CB C 36 63.038 63.038 63.262 -0.224 19568 3089 1 12 . 1 1 36 36 SER H H 36 8.185 8.185 7.920 0.265 19568 3090 1 12 . 1 1 37 37 ILE N N 37 122.412 122.412 121.952 0.460 19568 3091 1 12 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.911 -0.261 19568 3092 1 12 . 1 1 37 37 ILE C C 37 177.436 177.436 176.988 0.448 19568 3093 1 12 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.541 1.538 19568 3094 1 12 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.152 -0.205 19568 3095 1 12 . 1 1 37 37 ILE H H 37 7.971 7.971 8.317 -0.346 19568 3096 1 12 . 1 1 38 38 TYR N N 38 119.517 119.517 121.234 -1.717 19568 3097 1 12 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.040 0.127 19568 3098 1 12 . 1 1 38 38 TYR C C 38 176.818 176.818 177.286 -0.468 19568 3099 1 12 . 1 1 38 38 TYR CA C 38 62.452 62.452 61.814 0.638 19568 3100 1 12 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.224 0.042 19568 3101 1 12 . 1 1 38 38 TYR H H 38 8.450 8.450 7.763 0.687 19568 3102 1 12 . 1 1 39 39 LEU N N 39 117.459 117.459 118.553 -1.094 19568 3103 1 12 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.734 -0.037 19568 3104 1 12 . 1 1 39 39 LEU C C 39 178.873 178.873 178.449 0.424 19568 3105 1 12 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.228 -0.298 19568 3106 1 12 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.744 0.417 19568 3107 1 12 . 1 1 39 39 LEU H H 39 8.369 8.369 7.735 0.634 19568 3108 1 12 . 1 1 40 40 PHE N N 40 118.068 118.068 116.834 1.234 19568 3109 1 12 . 1 1 40 40 PHE C C 40 177.002 177.002 177.601 -0.599 19568 3110 1 12 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.447 -0.238 19568 3111 1 12 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.974 -3.407 19568 3112 1 12 . 1 1 40 40 PHE H H 40 8.317 8.317 7.855 0.462 19568 3113 1 12 . 1 1 41 41 LEU N N 41 117.738 117.738 117.313 0.425 19568 3114 1 12 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.078 -0.097 19568 3115 1 12 . 1 1 41 41 LEU C C 41 177.917 177.917 176.986 0.931 19568 3116 1 12 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.146 0.595 19568 3117 1 12 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.830 0.525 19568 3118 1 12 . 1 1 41 41 LEU H H 41 8.309 8.309 7.322 0.987 19568 3119 1 12 . 1 1 42 42 ARG N N 42 118.199 118.199 116.139 2.060 19568 3120 1 12 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.143 -0.132 19568 3121 1 12 . 1 1 42 42 ARG CA C 42 57.096 57.096 56.792 0.304 19568 3122 1 12 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.840 -0.965 19568 3123 1 12 . 1 1 42 42 ARG H H 42 7.957 7.957 7.122 0.835 19568 3124 1 12 . 1 1 43 43 LYS N N 43 119.027 119.027 117.509 1.518 19568 3125 1 12 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.252 -0.078 19568 3126 1 12 . 1 1 43 43 LYS C C 43 176.558 176.558 176.802 -0.244 19568 3127 1 12 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.935 -0.505 19568 3128 1 12 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.553 0.023 19568 3129 1 12 . 1 1 43 43 LYS H H 43 7.799 7.799 7.095 0.704 19568 3130 1 12 . 1 1 44 44 ARG N N 44 120.558 120.558 117.783 2.775 19568 3131 1 12 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.367 -0.195 19568 3132 1 12 . 1 1 44 44 ARG C C 44 175.813 175.813 174.622 1.191 19568 3133 1 12 . 1 1 44 44 ARG CA C 44 56.216 56.216 56.866 -0.650 19568 3134 1 12 . 1 1 44 44 ARG CB C 44 30.658 30.658 31.057 -0.399 19568 3135 1 12 . 1 1 44 44 ARG H H 44 7.727 7.727 7.791 -0.064 19568 3136 1 12 . 1 1 45 45 GLN N N 45 122.179 122.179 118.099 4.080 19568 3137 1 12 . 1 1 45 45 GLN C C 45 173.795 173.795 174.125 -0.330 19568 3138 1 12 . 1 1 45 45 GLN CA C 45 53.615 53.615 53.982 -0.367 19568 3139 1 12 . 1 1 45 45 GLN CB C 45 29.002 29.002 29.605 -0.603 19568 3140 1 12 . 1 1 45 45 GLN H H 45 8.141 8.141 8.094 0.047 19568 3141 1 12 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.501 -0.119 19568 3142 1 12 . 1 1 46 46 PRO C C 46 176.477 176.477 176.415 0.062 19568 3143 1 12 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.428 -0.181 19568 3144 1 12 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.432 0.640 19568 3145 1 12 . 1 1 47 47 ASP N N 47 120.424 120.424 121.280 -0.856 19568 3146 1 12 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.495 0.091 19568 3147 1 12 . 1 1 47 47 ASP C C 47 176.316 176.316 176.657 -0.341 19568 3148 1 12 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.803 0.552 19568 3149 1 12 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.141 3.406 19568 3150 1 12 . 1 1 47 47 ASP H H 47 8.333 8.333 7.429 0.904 19568 3151 1 12 . 1 1 48 48 GLY N N 48 108.892 108.892 109.468 -0.576 19568 3152 1 12 . 1 1 48 48 GLY C C 48 171.778 171.778 173.159 -1.381 19568 3153 1 12 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.571 0.059 19568 3154 1 12 . 1 1 48 48 GLY H H 48 8.063 8.063 8.114 -0.051 19568 3155 1 12 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.346 0.025 19568 3156 1 12 . 1 1 49 49 PRO C C 49 177.077 177.077 177.013 0.064 19568 3157 1 12 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.989 0.247 19568 3158 1 12 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.504 -0.356 19568 3159 1 12 . 1 1 50 50 LEU N N 50 121.757 121.757 121.230 0.527 19568 3160 1 12 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.501 -0.256 19568 3161 1 12 . 1 1 50 50 LEU C C 50 177.320 177.320 176.457 0.863 19568 3162 1 12 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.442 0.822 19568 3163 1 12 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.395 0.853 19568 3164 1 12 . 1 1 50 50 LEU H H 50 8.263 8.263 8.406 -0.143 19568 3165 1 12 . 1 1 51 51 GLU N N 51 121.007 121.007 118.704 2.303 19568 3166 1 12 . 1 1 51 51 GLU CA C 51 56.531 56.531 57.249 -0.718 19568 3167 1 12 . 1 1 51 51 GLU CB C 51 30.370 30.370 29.636 0.734 19568 3168 1 12 . 1 1 51 51 GLU H H 51 8.166 8.166 8.176 -0.010 19568 3169 1 13 . 1 1 2 2 THR N N 2 113.734 113.734 113.696 0.038 19568 3170 1 13 . 1 1 2 2 THR HA H 2 4.076 4.076 4.378 -0.302 19568 3171 1 13 . 1 1 2 2 THR C C 2 174.729 174.729 175.111 -0.382 19568 3172 1 13 . 1 1 2 2 THR CA C 2 63.234 63.234 62.786 0.448 19568 3173 1 13 . 1 1 2 2 THR CB C 2 69.247 69.247 68.746 0.501 19568 3174 1 13 . 1 1 2 2 THR H H 2 8.100 8.100 7.731 0.369 19568 3175 1 13 . 1 1 3 3 TYR N N 3 119.785 119.785 118.699 1.086 19568 3176 1 13 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.745 -0.506 19568 3177 1 13 . 1 1 3 3 TYR C C 3 175.468 175.468 177.018 -1.550 19568 3178 1 13 . 1 1 3 3 TYR CA C 3 59.361 59.361 57.437 1.924 19568 3179 1 13 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.131 1.405 19568 3180 1 13 . 1 1 3 3 TYR H H 3 7.911 7.911 7.428 0.483 19568 3181 1 13 . 1 1 4 4 PHE N N 4 117.223 117.223 121.471 -4.248 19568 3182 1 13 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.300 0.140 19568 3183 1 13 . 1 1 4 4 PHE C C 4 174.872 174.872 176.963 -2.091 19568 3184 1 13 . 1 1 4 4 PHE CA C 4 58.593 58.593 59.852 -1.259 19568 3185 1 13 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.885 0.335 19568 3186 1 13 . 1 1 4 4 PHE H H 4 7.634 7.634 8.561 -0.927 19568 3187 1 13 . 1 1 5 5 TYR N N 5 118.715 118.715 118.539 0.176 19568 3188 1 13 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.083 0.456 19568 3189 1 13 . 1 1 5 5 TYR C C 5 176.539 176.539 177.075 -0.536 19568 3190 1 13 . 1 1 5 5 TYR CA C 5 58.768 58.768 60.948 -2.180 19568 3191 1 13 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.679 -0.412 19568 3192 1 13 . 1 1 5 5 TYR H H 5 7.877 7.877 8.016 -0.139 19568 3193 1 13 . 1 1 6 6 VAL N N 6 118.275 118.275 118.180 0.095 19568 3194 1 13 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.499 0.435 19568 3195 1 13 . 1 1 6 6 VAL C C 6 176.487 176.487 178.093 -1.606 19568 3196 1 13 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.253 -0.791 19568 3197 1 13 . 1 1 6 6 VAL CB C 6 31.983 31.983 30.738 1.245 19568 3198 1 13 . 1 1 6 6 VAL H H 6 7.930 7.930 8.223 -0.293 19568 3199 1 13 . 1 1 7 7 THR N N 7 111.175 111.175 113.178 -2.003 19568 3200 1 13 . 1 1 7 7 THR HA H 7 4.212 4.212 4.049 0.163 19568 3201 1 13 . 1 1 7 7 THR C C 7 175.536 175.536 176.231 -0.695 19568 3202 1 13 . 1 1 7 7 THR CA C 7 64.289 64.289 65.866 -1.577 19568 3203 1 13 . 1 1 7 7 THR CB C 7 68.479 68.479 68.480 -0.001 19568 3204 1 13 . 1 1 7 7 THR H H 7 7.814 7.814 8.227 -0.413 19568 3205 1 13 . 1 1 8 8 ASP N N 8 121.151 121.151 122.568 -1.417 19568 3206 1 13 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.277 0.169 19568 3207 1 13 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.950 -0.933 19568 3208 1 13 . 1 1 8 8 ASP CB C 8 40.695 40.695 39.602 1.093 19568 3209 1 13 . 1 1 8 8 ASP H H 8 8.006 8.006 7.967 0.039 19568 3210 1 13 . 1 1 9 9 TYR N N 9 117.806 117.806 120.000 -2.194 19568 3211 1 13 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.094 0.247 19568 3212 1 13 . 1 1 9 9 TYR C C 9 176.025 176.025 176.446 -0.421 19568 3213 1 13 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.730 -1.205 19568 3214 1 13 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.943 0.390 19568 3215 1 13 . 1 1 9 9 TYR H H 9 7.726 7.726 7.429 0.297 19568 3216 1 13 . 1 1 10 10 LEU N N 10 116.985 116.985 114.610 2.375 19568 3217 1 13 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.592 -0.315 19568 3218 1 13 . 1 1 10 10 LEU C C 10 175.391 175.391 175.860 -0.469 19568 3219 1 13 . 1 1 10 10 LEU CA C 10 54.693 54.693 53.862 0.831 19568 3220 1 13 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.610 1.399 19568 3221 1 13 . 1 1 10 10 LEU H H 10 7.514 7.514 7.554 -0.040 19568 3222 1 13 . 1 1 11 11 ASP N N 11 120.049 120.049 121.493 -1.444 19568 3223 1 13 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.774 -0.258 19568 3224 1 13 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.413 0.464 19568 3225 1 13 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.773 -3.163 19568 3226 1 13 . 1 1 11 11 ASP H H 11 7.978 7.978 7.591 0.387 19568 3227 1 13 . 1 1 12 12 VAL N N 12 118.837 118.837 121.678 -2.841 19568 3228 1 13 . 1 1 12 12 VAL CA C 12 59.819 59.819 60.573 -0.754 19568 3229 1 13 . 1 1 12 12 VAL H H 12 7.780 7.780 8.198 -0.418 19568 3230 1 13 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.507 -0.427 19568 3231 1 13 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.768 0.605 19568 3232 1 13 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.522 -0.557 19568 3233 1 13 . 1 1 14 14 SER N N 14 117.102 117.102 116.941 0.161 19568 3234 1 13 . 1 1 14 14 SER HA H 14 4.080 4.080 4.157 -0.077 19568 3235 1 13 . 1 1 14 14 SER CA C 14 61.149 61.149 61.359 -0.210 19568 3236 1 13 . 1 1 14 14 SER H H 14 8.631 8.631 8.762 -0.131 19568 3237 1 13 . 1 1 15 15 ASN N N 15 118.240 118.240 120.839 -2.599 19568 3238 1 13 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.507 -0.003 19568 3239 1 13 . 1 1 15 15 ASN C C 15 176.447 176.447 176.863 -0.416 19568 3240 1 13 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.664 -0.255 19568 3241 1 13 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.007 -0.549 19568 3242 1 13 . 1 1 15 15 ASN H H 15 8.500 8.500 8.393 0.107 19568 3243 1 13 . 1 1 16 16 ILE N N 16 118.674 118.674 118.910 -0.236 19568 3244 1 13 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.905 0.080 19568 3245 1 13 . 1 1 16 16 ILE C C 16 176.784 176.784 176.897 -0.113 19568 3246 1 13 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.747 -1.409 19568 3247 1 13 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.853 -0.208 19568 3248 1 13 . 1 1 16 16 ILE H H 16 7.499 7.499 7.789 -0.290 19568 3249 1 13 . 1 1 17 17 ALA N N 17 123.146 123.146 122.600 0.546 19568 3250 1 13 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.133 -0.227 19568 3251 1 13 . 1 1 17 17 ALA C C 17 178.295 178.295 178.961 -0.666 19568 3252 1 13 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.920 0.346 19568 3253 1 13 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.407 0.131 19568 3254 1 13 . 1 1 17 17 ALA H H 17 8.154 8.154 8.175 -0.021 19568 3255 1 13 . 1 1 18 18 LYS N N 18 113.996 113.996 118.812 -4.816 19568 3256 1 13 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.253 -0.304 19568 3257 1 13 . 1 1 18 18 LYS C C 18 177.195 177.195 178.661 -1.466 19568 3258 1 13 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.792 0.615 19568 3259 1 13 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.062 -0.276 19568 3260 1 13 . 1 1 18 18 LYS H H 18 7.867 7.867 7.482 0.385 19568 3261 1 13 . 1 1 19 19 ILE N N 19 115.051 115.051 120.433 -5.382 19568 3262 1 13 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.962 0.088 19568 3263 1 13 . 1 1 19 19 ILE C C 19 175.727 175.727 177.504 -1.777 19568 3264 1 13 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.547 -0.635 19568 3265 1 13 . 1 1 19 19 ILE CB C 19 38.712 38.712 37.542 1.170 19568 3266 1 13 . 1 1 19 19 ILE H H 19 7.395 7.395 7.884 -0.489 19568 3267 1 13 . 1 1 20 20 ILE N N 20 113.857 113.857 119.571 -5.714 19568 3268 1 13 . 1 1 20 20 ILE CA C 20 62.423 62.423 61.807 0.616 19568 3269 1 13 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.881 -0.009 19568 3270 1 13 . 1 1 20 20 ILE H H 20 7.468 7.468 7.529 -0.061 19568 3271 1 13 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.039 -0.176 19568 3272 1 13 . 1 1 21 21 ILE C C 21 176.210 176.210 177.642 -1.432 19568 3273 1 13 . 1 1 21 21 ILE CA C 21 64.096 64.096 64.037 0.060 19568 3274 1 13 . 1 1 22 22 GLY N N 22 106.975 106.975 109.118 -2.143 19568 3275 1 13 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.677 -0.438 19568 3276 1 13 . 1 1 22 22 GLY H H 22 8.473 8.473 8.444 0.029 19568 3277 1 13 . 1 1 23 23 PRO C C 23 177.086 177.086 178.084 -0.998 19568 3278 1 13 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.427 0.450 19568 3279 1 13 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.462 0.600 19568 3280 1 13 . 1 1 24 24 LEU N N 24 115.805 115.805 118.633 -2.828 19568 3281 1 13 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.266 -0.179 19568 3282 1 13 . 1 1 24 24 LEU C C 24 178.191 178.191 178.530 -0.339 19568 3283 1 13 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.428 1.054 19568 3284 1 13 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.195 -0.228 19568 3285 1 13 . 1 1 24 24 LEU H H 24 7.855 7.855 7.724 0.131 19568 3286 1 13 . 1 1 25 25 ILE N N 25 118.715 118.715 120.816 -2.101 19568 3287 1 13 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.615 0.108 19568 3288 1 13 . 1 1 25 25 ILE C C 25 177.615 177.615 177.766 -0.151 19568 3289 1 13 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.580 -0.190 19568 3290 1 13 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.675 -0.607 19568 3291 1 13 . 1 1 25 25 ILE H H 25 8.373 8.373 8.470 -0.097 19568 3292 1 13 . 1 1 26 26 PHE N N 26 118.782 118.782 120.116 -1.334 19568 3293 1 13 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.201 -0.219 19568 3294 1 13 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.825 -0.322 19568 3295 1 13 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.990 0.079 19568 3296 1 13 . 1 1 26 26 PHE H H 26 8.191 8.191 7.994 0.197 19568 3297 1 13 . 1 1 27 27 VAL N N 27 118.263 118.263 116.933 1.330 19568 3298 1 13 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.865 -0.403 19568 3299 1 13 . 1 1 27 27 VAL C C 27 178.431 178.431 177.818 0.613 19568 3300 1 13 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.062 1.178 19568 3301 1 13 . 1 1 27 27 VAL CB C 27 31.106 31.106 30.964 0.142 19568 3302 1 13 . 1 1 27 27 VAL H H 27 8.530 8.530 7.808 0.722 19568 3303 1 13 . 1 1 28 28 PHE N N 28 122.020 122.020 122.435 -0.415 19568 3304 1 13 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.252 -0.087 19568 3305 1 13 . 1 1 28 28 PHE C C 28 176.323 176.323 177.556 -1.233 19568 3306 1 13 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.879 -1.141 19568 3307 1 13 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.402 -0.220 19568 3308 1 13 . 1 1 28 28 PHE H H 28 8.572 8.572 8.374 0.198 19568 3309 1 13 . 1 1 29 29 LEU N N 29 118.508 118.508 120.383 -1.875 19568 3310 1 13 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.082 -0.370 19568 3311 1 13 . 1 1 29 29 LEU C C 29 178.103 178.103 178.288 -0.185 19568 3312 1 13 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.161 0.010 19568 3313 1 13 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.947 0.049 19568 3314 1 13 . 1 1 29 29 LEU H H 29 8.631 8.631 8.712 -0.081 19568 3315 1 13 . 1 1 30 30 PHE N N 30 117.713 117.713 119.342 -1.629 19568 3316 1 13 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.129 -0.270 19568 3317 1 13 . 1 1 30 30 PHE CA C 30 61.654 61.654 62.273 -0.619 19568 3318 1 13 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.011 -0.156 19568 3319 1 13 . 1 1 30 30 PHE H H 30 8.701 8.701 8.119 0.582 19568 3320 1 13 . 1 1 31 31 SER N N 31 115.131 115.131 115.156 -0.025 19568 3321 1 13 . 1 1 31 31 SER HA H 31 3.933 3.933 4.199 -0.266 19568 3322 1 13 . 1 1 31 31 SER C C 31 175.646 175.646 176.868 -1.222 19568 3323 1 13 . 1 1 31 31 SER CA C 31 63.631 63.631 61.774 1.857 19568 3324 1 13 . 1 1 31 31 SER CB C 31 62.767 62.767 62.588 0.179 19568 3325 1 13 . 1 1 31 31 SER H H 31 8.137 8.137 8.521 -0.384 19568 3326 1 13 . 1 1 32 32 VAL N N 32 120.892 120.892 121.661 -0.769 19568 3327 1 13 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.641 -0.180 19568 3328 1 13 . 1 1 32 32 VAL C C 32 178.552 178.552 177.836 0.716 19568 3329 1 13 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.291 0.106 19568 3330 1 13 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.562 -0.210 19568 3331 1 13 . 1 1 32 32 VAL H H 32 7.820 7.820 7.958 -0.138 19568 3332 1 13 . 1 1 33 33 VAL N N 33 121.892 121.892 120.555 1.337 19568 3333 1 13 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.639 -0.236 19568 3334 1 13 . 1 1 33 33 VAL C C 33 177.129 177.129 177.953 -0.824 19568 3335 1 13 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.883 0.819 19568 3336 1 13 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.702 -0.297 19568 3337 1 13 . 1 1 33 33 VAL H H 33 8.061 8.061 7.495 0.566 19568 3338 1 13 . 1 1 34 34 ILE N N 34 117.742 117.742 119.366 -1.624 19568 3339 1 13 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.747 -0.181 19568 3340 1 13 . 1 1 34 34 ILE C C 34 178.041 178.041 178.162 -0.121 19568 3341 1 13 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.832 -0.492 19568 3342 1 13 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.196 -0.767 19568 3343 1 13 . 1 1 34 34 ILE H H 34 8.285 8.285 8.066 0.219 19568 3344 1 13 . 1 1 35 35 GLY N N 35 107.221 107.221 108.567 -1.346 19568 3345 1 13 . 1 1 35 35 GLY C C 35 174.842 174.842 175.977 -1.135 19568 3346 1 13 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.063 0.633 19568 3347 1 13 . 1 1 35 35 GLY H H 35 8.676 8.676 7.969 0.707 19568 3348 1 13 . 1 1 36 36 SER N N 36 117.895 117.895 117.207 0.688 19568 3349 1 13 . 1 1 36 36 SER HA H 36 4.080 4.080 4.377 -0.297 19568 3350 1 13 . 1 1 36 36 SER C C 36 175.749 175.749 176.647 -0.898 19568 3351 1 13 . 1 1 36 36 SER CA C 36 63.895 63.895 61.245 2.650 19568 3352 1 13 . 1 1 36 36 SER CB C 36 63.038 63.038 63.205 -0.167 19568 3353 1 13 . 1 1 36 36 SER H H 36 8.185 8.185 7.820 0.365 19568 3354 1 13 . 1 1 37 37 ILE N N 37 122.412 122.412 121.231 1.181 19568 3355 1 13 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.905 -0.255 19568 3356 1 13 . 1 1 37 37 ILE C C 37 177.436 177.436 178.499 -1.063 19568 3357 1 13 . 1 1 37 37 ILE CA C 37 66.079 66.079 63.780 2.299 19568 3358 1 13 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.601 0.346 19568 3359 1 13 . 1 1 37 37 ILE H H 37 7.971 7.971 8.172 -0.201 19568 3360 1 13 . 1 1 38 38 TYR N N 38 119.517 119.517 120.840 -1.323 19568 3361 1 13 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.214 -0.047 19568 3362 1 13 . 1 1 38 38 TYR C C 38 176.818 176.818 178.470 -1.652 19568 3363 1 13 . 1 1 38 38 TYR CA C 38 62.452 62.452 61.519 0.933 19568 3364 1 13 . 1 1 38 38 TYR CB C 38 38.266 38.266 37.861 0.405 19568 3365 1 13 . 1 1 38 38 TYR H H 38 8.450 8.450 7.852 0.598 19568 3366 1 13 . 1 1 39 39 LEU N N 39 117.459 117.459 119.156 -1.697 19568 3367 1 13 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.966 -0.269 19568 3368 1 13 . 1 1 39 39 LEU C C 39 178.873 178.873 178.931 -0.058 19568 3369 1 13 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.650 0.280 19568 3370 1 13 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.884 0.277 19568 3371 1 13 . 1 1 39 39 LEU H H 39 8.369 8.369 7.777 0.592 19568 3372 1 13 . 1 1 40 40 PHE N N 40 118.068 118.068 119.302 -1.234 19568 3373 1 13 . 1 1 40 40 PHE C C 40 177.002 177.002 177.036 -0.034 19568 3374 1 13 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.346 -0.137 19568 3375 1 13 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.315 -3.748 19568 3376 1 13 . 1 1 40 40 PHE H H 40 8.317 8.317 7.824 0.493 19568 3377 1 13 . 1 1 41 41 LEU N N 41 117.738 117.738 118.087 -0.349 19568 3378 1 13 . 1 1 41 41 LEU HA H 41 3.981 3.981 3.926 0.055 19568 3379 1 13 . 1 1 41 41 LEU C C 41 177.917 177.917 178.578 -0.661 19568 3380 1 13 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.560 0.181 19568 3381 1 13 . 1 1 41 41 LEU CB C 41 42.355 42.355 40.950 1.405 19568 3382 1 13 . 1 1 41 41 LEU H H 41 8.309 8.309 8.174 0.135 19568 3383 1 13 . 1 1 42 42 ARG N N 42 118.199 118.199 119.046 -0.847 19568 3384 1 13 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.129 -0.118 19568 3385 1 13 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.349 -0.252 19568 3386 1 13 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.681 0.194 19568 3387 1 13 . 1 1 42 42 ARG H H 42 7.957 7.957 7.308 0.649 19568 3388 1 13 . 1 1 43 43 LYS N N 43 119.027 119.027 118.186 0.841 19568 3389 1 13 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.193 -0.019 19568 3390 1 13 . 1 1 43 43 LYS C C 43 176.558 176.558 175.788 0.770 19568 3391 1 13 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.551 -0.121 19568 3392 1 13 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.620 -0.044 19568 3393 1 13 . 1 1 43 43 LYS H H 43 7.799 7.799 7.500 0.299 19568 3394 1 13 . 1 1 44 44 ARG N N 44 120.558 120.558 118.382 2.176 19568 3395 1 13 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.575 -0.403 19568 3396 1 13 . 1 1 44 44 ARG C C 44 175.813 175.813 174.515 1.298 19568 3397 1 13 . 1 1 44 44 ARG CA C 44 56.216 56.216 55.222 0.994 19568 3398 1 13 . 1 1 44 44 ARG CB C 44 30.658 30.658 31.840 -1.182 19568 3399 1 13 . 1 1 44 44 ARG H H 44 7.727 7.727 7.408 0.319 19568 3400 1 13 . 1 1 45 45 GLN N N 45 122.179 122.179 119.979 2.200 19568 3401 1 13 . 1 1 45 45 GLN C C 45 173.795 173.795 174.806 -1.011 19568 3402 1 13 . 1 1 45 45 GLN CA C 45 53.615 53.615 53.878 -0.263 19568 3403 1 13 . 1 1 45 45 GLN CB C 45 29.002 29.002 29.779 -0.777 19568 3404 1 13 . 1 1 45 45 GLN H H 45 8.141 8.141 8.582 -0.441 19568 3405 1 13 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.517 -0.135 19568 3406 1 13 . 1 1 46 46 PRO C C 46 176.477 176.477 176.790 -0.313 19568 3407 1 13 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.067 0.180 19568 3408 1 13 . 1 1 46 46 PRO CB C 46 32.072 32.072 30.786 1.286 19568 3409 1 13 . 1 1 47 47 ASP N N 47 120.424 120.424 119.740 0.684 19568 3410 1 13 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.396 0.190 19568 3411 1 13 . 1 1 47 47 ASP C C 47 176.316 176.316 176.646 -0.330 19568 3412 1 13 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.703 0.653 19568 3413 1 13 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.487 3.060 19568 3414 1 13 . 1 1 47 47 ASP H H 47 8.333 8.333 7.547 0.786 19568 3415 1 13 . 1 1 48 48 GLY N N 48 108.892 108.892 109.399 -0.507 19568 3416 1 13 . 1 1 48 48 GLY C C 48 171.778 171.778 173.816 -2.038 19568 3417 1 13 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.841 -0.211 19568 3418 1 13 . 1 1 48 48 GLY H H 48 8.063 8.063 8.468 -0.405 19568 3419 1 13 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.466 -0.095 19568 3420 1 13 . 1 1 49 49 PRO C C 49 177.077 177.077 176.703 0.374 19568 3421 1 13 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.822 0.414 19568 3422 1 13 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.949 0.199 19568 3423 1 13 . 1 1 50 50 LEU N N 50 121.757 121.757 119.117 2.640 19568 3424 1 13 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.055 0.190 19568 3425 1 13 . 1 1 50 50 LEU C C 50 177.320 177.320 177.835 -0.515 19568 3426 1 13 . 1 1 50 50 LEU CA C 50 55.264 55.264 56.176 -0.912 19568 3427 1 13 . 1 1 50 50 LEU CB C 50 42.248 42.248 42.252 -0.004 19568 3428 1 13 . 1 1 50 50 LEU H H 50 8.263 8.263 7.765 0.498 19568 3429 1 13 . 1 1 51 51 GLU N N 51 121.007 121.007 114.866 6.141 19568 3430 1 13 . 1 1 51 51 GLU CA C 51 56.531 56.531 58.080 -1.549 19568 3431 1 13 . 1 1 51 51 GLU CB C 51 30.370 30.370 28.414 1.956 19568 3432 1 13 . 1 1 51 51 GLU H H 51 8.166 8.166 8.057 0.109 19568 3433 1 14 . 1 1 2 2 THR N N 2 113.734 113.734 111.812 1.922 19568 3434 1 14 . 1 1 2 2 THR HA H 2 4.076 4.076 4.288 -0.212 19568 3435 1 14 . 1 1 2 2 THR C C 2 174.729 174.729 175.429 -0.700 19568 3436 1 14 . 1 1 2 2 THR CA C 2 63.234 63.234 62.407 0.827 19568 3437 1 14 . 1 1 2 2 THR CB C 2 69.247 69.247 69.029 0.218 19568 3438 1 14 . 1 1 2 2 THR H H 2 8.100 8.100 7.044 1.056 19568 3439 1 14 . 1 1 3 3 TYR N N 3 119.785 119.785 119.973 -0.188 19568 3440 1 14 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.716 -0.477 19568 3441 1 14 . 1 1 3 3 TYR C C 3 175.468 175.468 177.769 -2.301 19568 3442 1 14 . 1 1 3 3 TYR CA C 3 59.361 59.361 58.349 1.012 19568 3443 1 14 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.190 1.346 19568 3444 1 14 . 1 1 3 3 TYR H H 3 7.911 7.911 6.721 1.190 19568 3445 1 14 . 1 1 4 4 PHE N N 4 117.223 117.223 119.964 -2.741 19568 3446 1 14 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.286 0.154 19568 3447 1 14 . 1 1 4 4 PHE C C 4 174.872 174.872 178.373 -3.501 19568 3448 1 14 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.438 -2.845 19568 3449 1 14 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.379 0.841 19568 3450 1 14 . 1 1 4 4 PHE H H 4 7.634 7.634 8.763 -1.129 19568 3451 1 14 . 1 1 5 5 TYR N N 5 118.715 118.715 118.727 -0.012 19568 3452 1 14 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.369 0.170 19568 3453 1 14 . 1 1 5 5 TYR C C 5 176.539 176.539 176.940 -0.401 19568 3454 1 14 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.672 -2.904 19568 3455 1 14 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.476 -0.209 19568 3456 1 14 . 1 1 5 5 TYR H H 5 7.877 7.877 8.017 -0.140 19568 3457 1 14 . 1 1 6 6 VAL N N 6 118.275 118.275 117.502 0.773 19568 3458 1 14 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.739 0.195 19568 3459 1 14 . 1 1 6 6 VAL C C 6 176.487 176.487 177.502 -1.015 19568 3460 1 14 . 1 1 6 6 VAL CA C 6 64.462 64.462 64.912 -0.450 19568 3461 1 14 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.542 0.441 19568 3462 1 14 . 1 1 6 6 VAL H H 6 7.930 7.930 7.786 0.144 19568 3463 1 14 . 1 1 7 7 THR N N 7 111.175 111.175 111.568 -0.393 19568 3464 1 14 . 1 1 7 7 THR HA H 7 4.212 4.212 4.218 -0.006 19568 3465 1 14 . 1 1 7 7 THR C C 7 175.536 175.536 176.498 -0.962 19568 3466 1 14 . 1 1 7 7 THR CA C 7 64.289 64.289 65.022 -0.733 19568 3467 1 14 . 1 1 7 7 THR CB C 7 68.479 68.479 69.005 -0.527 19568 3468 1 14 . 1 1 7 7 THR H H 7 7.814 7.814 8.594 -0.780 19568 3469 1 14 . 1 1 8 8 ASP N N 8 121.151 121.151 123.126 -1.975 19568 3470 1 14 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.446 0.000 19568 3471 1 14 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.905 -0.888 19568 3472 1 14 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.608 0.087 19568 3473 1 14 . 1 1 8 8 ASP H H 8 8.006 8.006 7.653 0.353 19568 3474 1 14 . 1 1 9 9 TYR N N 9 117.806 117.806 118.876 -1.070 19568 3475 1 14 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.147 0.194 19568 3476 1 14 . 1 1 9 9 TYR C C 9 176.025 176.025 176.776 -0.751 19568 3477 1 14 . 1 1 9 9 TYR CA C 9 59.525 59.525 61.175 -1.650 19568 3478 1 14 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.762 0.571 19568 3479 1 14 . 1 1 9 9 TYR H H 9 7.726 7.726 7.441 0.285 19568 3480 1 14 . 1 1 10 10 LEU N N 10 116.985 116.985 117.649 -0.664 19568 3481 1 14 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.240 0.037 19568 3482 1 14 . 1 1 10 10 LEU C C 10 175.391 175.391 175.974 -0.583 19568 3483 1 14 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.942 -0.249 19568 3484 1 14 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.441 1.568 19568 3485 1 14 . 1 1 10 10 LEU H H 10 7.514 7.514 7.328 0.186 19568 3486 1 14 . 1 1 11 11 ASP N N 11 120.049 120.049 120.049 0.000 19568 3487 1 14 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.752 -0.236 19568 3488 1 14 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.293 0.584 19568 3489 1 14 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.096 -2.486 19568 3490 1 14 . 1 1 11 11 ASP H H 11 7.978 7.978 7.530 0.448 19568 3491 1 14 . 1 1 12 12 VAL N N 12 118.837 118.837 119.474 -0.637 19568 3492 1 14 . 1 1 12 12 VAL CA C 12 59.819 59.819 58.683 1.136 19568 3493 1 14 . 1 1 12 12 VAL H H 12 7.780 7.780 8.021 -0.241 19568 3494 1 14 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.633 -0.553 19568 3495 1 14 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.710 0.663 19568 3496 1 14 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.525 -0.560 19568 3497 1 14 . 1 1 14 14 SER N N 14 117.102 117.102 120.459 -3.357 19568 3498 1 14 . 1 1 14 14 SER HA H 14 4.080 4.080 4.026 0.054 19568 3499 1 14 . 1 1 14 14 SER CA C 14 61.149 61.149 61.080 0.069 19568 3500 1 14 . 1 1 14 14 SER H H 14 8.631 8.631 8.885 -0.254 19568 3501 1 14 . 1 1 15 15 ASN N N 15 118.240 118.240 121.282 -3.042 19568 3502 1 14 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.490 0.014 19568 3503 1 14 . 1 1 15 15 ASN C C 15 176.447 176.447 177.096 -0.649 19568 3504 1 14 . 1 1 15 15 ASN CA C 15 55.409 55.409 56.118 -0.709 19568 3505 1 14 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.147 -0.689 19568 3506 1 14 . 1 1 15 15 ASN H H 15 8.500 8.500 8.278 0.222 19568 3507 1 14 . 1 1 16 16 ILE N N 16 118.674 118.674 118.711 -0.037 19568 3508 1 14 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.965 0.020 19568 3509 1 14 . 1 1 16 16 ILE C C 16 176.784 176.784 177.187 -0.403 19568 3510 1 14 . 1 1 16 16 ILE CA C 16 62.338 62.338 62.164 0.174 19568 3511 1 14 . 1 1 16 16 ILE CB C 16 37.645 37.645 36.396 1.249 19568 3512 1 14 . 1 1 16 16 ILE H H 16 7.499 7.499 8.513 -1.014 19568 3513 1 14 . 1 1 17 17 ALA N N 17 123.146 123.146 122.858 0.288 19568 3514 1 14 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.097 -0.191 19568 3515 1 14 . 1 1 17 17 ALA C C 17 178.295 178.295 179.392 -1.097 19568 3516 1 14 . 1 1 17 17 ALA CA C 17 55.267 55.267 55.008 0.259 19568 3517 1 14 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.491 0.047 19568 3518 1 14 . 1 1 17 17 ALA H H 17 8.154 8.154 8.189 -0.035 19568 3519 1 14 . 1 1 18 18 LYS N N 18 113.996 113.996 118.780 -4.784 19568 3520 1 14 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.241 -0.292 19568 3521 1 14 . 1 1 18 18 LYS C C 18 177.195 177.195 178.134 -0.939 19568 3522 1 14 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.469 0.938 19568 3523 1 14 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.022 -0.235 19568 3524 1 14 . 1 1 18 18 LYS H H 18 7.867 7.867 7.482 0.385 19568 3525 1 14 . 1 1 19 19 ILE N N 19 115.051 115.051 119.130 -4.079 19568 3526 1 14 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.873 0.177 19568 3527 1 14 . 1 1 19 19 ILE C C 19 175.727 175.727 177.417 -1.690 19568 3528 1 14 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.980 -1.068 19568 3529 1 14 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.491 0.221 19568 3530 1 14 . 1 1 19 19 ILE H H 19 7.395 7.395 7.713 -0.318 19568 3531 1 14 . 1 1 20 20 ILE N N 20 113.857 113.857 120.199 -6.342 19568 3532 1 14 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.262 -0.839 19568 3533 1 14 . 1 1 20 20 ILE CB C 20 38.872 38.872 39.154 -0.282 19568 3534 1 14 . 1 1 20 20 ILE H H 20 7.468 7.468 7.465 0.003 19568 3535 1 14 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.092 -0.229 19568 3536 1 14 . 1 1 21 21 ILE C C 21 176.210 176.210 177.555 -1.345 19568 3537 1 14 . 1 1 21 21 ILE CA C 21 64.096 64.096 63.092 1.004 19568 3538 1 14 . 1 1 22 22 GLY N N 22 106.975 106.975 109.571 -2.596 19568 3539 1 14 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.435 -0.196 19568 3540 1 14 . 1 1 22 22 GLY H H 22 8.473 8.473 8.058 0.415 19568 3541 1 14 . 1 1 23 23 PRO C C 23 177.086 177.086 178.076 -0.990 19568 3542 1 14 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.417 0.460 19568 3543 1 14 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.460 0.602 19568 3544 1 14 . 1 1 24 24 LEU N N 24 115.805 115.805 118.424 -2.619 19568 3545 1 14 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.262 -0.175 19568 3546 1 14 . 1 1 24 24 LEU C C 24 178.191 178.191 178.353 -0.162 19568 3547 1 14 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.361 1.121 19568 3548 1 14 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.288 -0.321 19568 3549 1 14 . 1 1 24 24 LEU H H 24 7.855 7.855 7.600 0.255 19568 3550 1 14 . 1 1 25 25 ILE N N 25 118.715 118.715 120.950 -2.235 19568 3551 1 14 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.638 0.085 19568 3552 1 14 . 1 1 25 25 ILE C C 25 177.615 177.615 177.977 -0.362 19568 3553 1 14 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.650 -0.260 19568 3554 1 14 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.670 -0.602 19568 3555 1 14 . 1 1 25 25 ILE H H 25 8.373 8.373 8.304 0.069 19568 3556 1 14 . 1 1 26 26 PHE N N 26 118.782 118.782 119.721 -0.939 19568 3557 1 14 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.292 -0.310 19568 3558 1 14 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.154 0.349 19568 3559 1 14 . 1 1 26 26 PHE CB C 26 39.069 39.069 39.089 -0.020 19568 3560 1 14 . 1 1 26 26 PHE H H 26 8.191 8.191 8.006 0.185 19568 3561 1 14 . 1 1 27 27 VAL N N 27 118.263 118.263 119.800 -1.537 19568 3562 1 14 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.700 -0.238 19568 3563 1 14 . 1 1 27 27 VAL C C 27 178.431 178.431 178.098 0.333 19568 3564 1 14 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.621 0.619 19568 3565 1 14 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.451 -0.345 19568 3566 1 14 . 1 1 27 27 VAL H H 27 8.530 8.530 8.038 0.492 19568 3567 1 14 . 1 1 28 28 PHE N N 28 122.020 122.020 121.105 0.915 19568 3568 1 14 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.277 -0.112 19568 3569 1 14 . 1 1 28 28 PHE C C 28 176.323 176.323 177.619 -1.296 19568 3570 1 14 . 1 1 28 28 PHE CA C 28 61.738 61.738 61.876 -0.138 19568 3571 1 14 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.026 0.156 19568 3572 1 14 . 1 1 28 28 PHE H H 28 8.572 8.572 8.563 0.009 19568 3573 1 14 . 1 1 29 29 LEU N N 29 118.508 118.508 119.700 -1.192 19568 3574 1 14 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.868 -0.156 19568 3575 1 14 . 1 1 29 29 LEU C C 29 178.103 178.103 178.383 -0.280 19568 3576 1 14 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.671 0.500 19568 3577 1 14 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.885 0.110 19568 3578 1 14 . 1 1 29 29 LEU H H 29 8.631 8.631 8.531 0.100 19568 3579 1 14 . 1 1 30 30 PHE N N 30 117.713 117.713 119.192 -1.479 19568 3580 1 14 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.058 -0.199 19568 3581 1 14 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.081 0.573 19568 3582 1 14 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.200 -0.345 19568 3583 1 14 . 1 1 30 30 PHE H H 30 8.701 8.701 7.914 0.787 19568 3584 1 14 . 1 1 31 31 SER N N 31 115.131 115.131 116.424 -1.293 19568 3585 1 14 . 1 1 31 31 SER HA H 31 3.933 3.933 4.070 -0.137 19568 3586 1 14 . 1 1 31 31 SER C C 31 175.646 175.646 176.773 -1.127 19568 3587 1 14 . 1 1 31 31 SER CA C 31 63.631 63.631 62.004 1.627 19568 3588 1 14 . 1 1 31 31 SER CB C 31 62.767 62.767 62.708 0.059 19568 3589 1 14 . 1 1 31 31 SER H H 31 8.137 8.137 8.235 -0.098 19568 3590 1 14 . 1 1 32 32 VAL N N 32 120.892 120.892 122.724 -1.832 19568 3591 1 14 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.567 -0.106 19568 3592 1 14 . 1 1 32 32 VAL C C 32 178.552 178.552 177.513 1.039 19568 3593 1 14 . 1 1 32 32 VAL CA C 32 66.397 66.397 65.890 0.507 19568 3594 1 14 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.169 0.183 19568 3595 1 14 . 1 1 32 32 VAL H H 32 7.820 7.820 7.846 -0.026 19568 3596 1 14 . 1 1 33 33 VAL N N 33 121.892 121.892 120.243 1.649 19568 3597 1 14 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.511 -0.108 19568 3598 1 14 . 1 1 33 33 VAL C C 33 177.129 177.129 177.999 -0.870 19568 3599 1 14 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.975 0.727 19568 3600 1 14 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.378 0.027 19568 3601 1 14 . 1 1 33 33 VAL H H 33 8.061 8.061 7.266 0.795 19568 3602 1 14 . 1 1 34 34 ILE N N 34 117.742 117.742 115.245 2.497 19568 3603 1 14 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.848 -0.282 19568 3604 1 14 . 1 1 34 34 ILE C C 34 178.041 178.041 177.898 0.143 19568 3605 1 14 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.964 0.376 19568 3606 1 14 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.668 -0.239 19568 3607 1 14 . 1 1 34 34 ILE H H 34 8.285 8.285 7.332 0.953 19568 3608 1 14 . 1 1 35 35 GLY N N 35 107.221 107.221 110.251 -3.030 19568 3609 1 14 . 1 1 35 35 GLY C C 35 174.842 174.842 176.216 -1.374 19568 3610 1 14 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.044 0.652 19568 3611 1 14 . 1 1 35 35 GLY H H 35 8.676 8.676 7.641 1.035 19568 3612 1 14 . 1 1 36 36 SER N N 36 117.895 117.895 117.183 0.712 19568 3613 1 14 . 1 1 36 36 SER HA H 36 4.080 4.080 4.321 -0.241 19568 3614 1 14 . 1 1 36 36 SER C C 36 175.749 175.749 176.297 -0.548 19568 3615 1 14 . 1 1 36 36 SER CA C 36 63.895 63.895 61.132 2.763 19568 3616 1 14 . 1 1 36 36 SER CB C 36 63.038 63.038 62.825 0.213 19568 3617 1 14 . 1 1 36 36 SER H H 36 8.185 8.185 8.402 -0.217 19568 3618 1 14 . 1 1 37 37 ILE N N 37 122.412 122.412 120.989 1.423 19568 3619 1 14 . 1 1 37 37 ILE HA H 37 3.650 3.650 4.057 -0.407 19568 3620 1 14 . 1 1 37 37 ILE C C 37 177.436 177.436 177.584 -0.148 19568 3621 1 14 . 1 1 37 37 ILE CA C 37 66.079 66.079 62.638 3.441 19568 3622 1 14 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.673 0.274 19568 3623 1 14 . 1 1 37 37 ILE H H 37 7.971 7.971 7.646 0.325 19568 3624 1 14 . 1 1 38 38 TYR N N 38 119.517 119.517 120.751 -1.234 19568 3625 1 14 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.079 0.088 19568 3626 1 14 . 1 1 38 38 TYR C C 38 176.818 176.818 177.623 -0.805 19568 3627 1 14 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.875 -0.423 19568 3628 1 14 . 1 1 38 38 TYR CB C 38 38.266 38.266 37.950 0.316 19568 3629 1 14 . 1 1 38 38 TYR H H 38 8.450 8.450 7.885 0.565 19568 3630 1 14 . 1 1 39 39 LEU N N 39 117.459 117.459 118.467 -1.008 19568 3631 1 14 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.888 -0.191 19568 3632 1 14 . 1 1 39 39 LEU C C 39 178.873 178.873 178.853 0.020 19568 3633 1 14 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.913 0.017 19568 3634 1 14 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.154 1.007 19568 3635 1 14 . 1 1 39 39 LEU H H 39 8.369 8.369 7.693 0.676 19568 3636 1 14 . 1 1 40 40 PHE N N 40 118.068 118.068 116.016 2.052 19568 3637 1 14 . 1 1 40 40 PHE C C 40 177.002 177.002 177.696 -0.694 19568 3638 1 14 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.637 -0.428 19568 3639 1 14 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.847 -3.280 19568 3640 1 14 . 1 1 40 40 PHE H H 40 8.317 8.317 8.016 0.301 19568 3641 1 14 . 1 1 41 41 LEU N N 41 117.738 117.738 119.260 -1.522 19568 3642 1 14 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.068 -0.087 19568 3643 1 14 . 1 1 41 41 LEU C C 41 177.917 177.917 178.206 -0.289 19568 3644 1 14 . 1 1 41 41 LEU CA C 41 56.741 56.741 55.692 1.049 19568 3645 1 14 . 1 1 41 41 LEU CB C 41 42.355 42.355 40.973 1.382 19568 3646 1 14 . 1 1 41 41 LEU H H 41 8.309 8.309 7.812 0.497 19568 3647 1 14 . 1 1 42 42 ARG N N 42 118.199 118.199 120.125 -1.926 19568 3648 1 14 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.046 -0.035 19568 3649 1 14 . 1 1 42 42 ARG CA C 42 57.096 57.096 58.349 -1.253 19568 3650 1 14 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.760 0.115 19568 3651 1 14 . 1 1 42 42 ARG H H 42 7.957 7.957 7.876 0.081 19568 3652 1 14 . 1 1 43 43 LYS N N 43 119.027 119.027 116.862 2.165 19568 3653 1 14 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.263 -0.089 19568 3654 1 14 . 1 1 43 43 LYS C C 43 176.558 176.558 177.296 -0.738 19568 3655 1 14 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.451 -0.021 19568 3656 1 14 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.348 0.228 19568 3657 1 14 . 1 1 43 43 LYS H H 43 7.799 7.799 7.311 0.488 19568 3658 1 14 . 1 1 44 44 ARG N N 44 120.558 120.558 119.885 0.673 19568 3659 1 14 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.400 -0.228 19568 3660 1 14 . 1 1 44 44 ARG C C 44 175.813 175.813 175.587 0.226 19568 3661 1 14 . 1 1 44 44 ARG CA C 44 56.216 56.216 55.691 0.525 19568 3662 1 14 . 1 1 44 44 ARG CB C 44 30.658 30.658 29.984 0.674 19568 3663 1 14 . 1 1 44 44 ARG H H 44 7.727 7.727 7.617 0.110 19568 3664 1 14 . 1 1 45 45 GLN N N 45 122.179 122.179 117.237 4.942 19568 3665 1 14 . 1 1 45 45 GLN C C 45 173.795 173.795 173.615 0.180 19568 3666 1 14 . 1 1 45 45 GLN CA C 45 53.615 53.615 56.003 -2.388 19568 3667 1 14 . 1 1 45 45 GLN CB C 45 29.002 29.002 26.855 2.147 19568 3668 1 14 . 1 1 45 45 GLN H H 45 8.141 8.141 8.278 -0.137 19568 3669 1 14 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.285 0.097 19568 3670 1 14 . 1 1 46 46 PRO C C 46 176.477 176.477 176.764 -0.287 19568 3671 1 14 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.335 -0.088 19568 3672 1 14 . 1 1 46 46 PRO CB C 46 32.072 32.072 30.960 1.112 19568 3673 1 14 . 1 1 47 47 ASP N N 47 120.424 120.424 123.189 -2.765 19568 3674 1 14 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.466 0.120 19568 3675 1 14 . 1 1 47 47 ASP C C 47 176.316 176.316 176.565 -0.249 19568 3676 1 14 . 1 1 47 47 ASP CA C 47 54.356 54.356 52.876 1.480 19568 3677 1 14 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.345 3.202 19568 3678 1 14 . 1 1 47 47 ASP H H 47 8.333 8.333 8.334 -0.001 19568 3679 1 14 . 1 1 48 48 GLY N N 48 108.892 108.892 108.768 0.124 19568 3680 1 14 . 1 1 48 48 GLY C C 48 171.778 171.778 173.239 -1.461 19568 3681 1 14 . 1 1 48 48 GLY CA C 48 44.630 44.630 45.362 -0.732 19568 3682 1 14 . 1 1 48 48 GLY H H 48 8.063 8.063 8.214 -0.151 19568 3683 1 14 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.310 0.061 19568 3684 1 14 . 1 1 49 49 PRO C C 49 177.077 177.077 176.494 0.583 19568 3685 1 14 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.286 -0.051 19568 3686 1 14 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.024 0.124 19568 3687 1 14 . 1 1 50 50 LEU N N 50 121.757 121.757 124.970 -3.213 19568 3688 1 14 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.271 -0.026 19568 3689 1 14 . 1 1 50 50 LEU C C 50 177.320 177.320 177.153 0.167 19568 3690 1 14 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.644 -0.380 19568 3691 1 14 . 1 1 50 50 LEU CB C 50 42.248 42.248 40.666 1.581 19568 3692 1 14 . 1 1 50 50 LEU H H 50 8.263 8.263 8.569 -0.306 19568 3693 1 14 . 1 1 51 51 GLU N N 51 121.007 121.007 122.755 -1.748 19568 3694 1 14 . 1 1 51 51 GLU CA C 51 56.531 56.531 55.177 1.354 19568 3695 1 14 . 1 1 51 51 GLU CB C 51 30.370 30.370 29.573 0.797 19568 3696 1 14 . 1 1 51 51 GLU H H 51 8.166 8.166 8.605 -0.439 19568 3697 1 15 . 1 1 2 2 THR N N 2 113.734 113.734 116.437 -2.703 19568 3698 1 15 . 1 1 2 2 THR HA H 2 4.076 4.076 4.244 -0.168 19568 3699 1 15 . 1 1 2 2 THR C C 2 174.729 174.729 176.241 -1.512 19568 3700 1 15 . 1 1 2 2 THR CA C 2 63.234 63.234 64.037 -0.803 19568 3701 1 15 . 1 1 2 2 THR CB C 2 69.247 69.247 67.757 1.490 19568 3702 1 15 . 1 1 2 2 THR H H 2 8.100 8.100 8.471 -0.371 19568 3703 1 15 . 1 1 3 3 TYR N N 3 119.785 119.785 122.135 -2.350 19568 3704 1 15 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.215 0.024 19568 3705 1 15 . 1 1 3 3 TYR C C 3 175.468 175.468 177.496 -2.028 19568 3706 1 15 . 1 1 3 3 TYR CA C 3 59.361 59.361 60.886 -1.525 19568 3707 1 15 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.487 1.049 19568 3708 1 15 . 1 1 3 3 TYR H H 3 7.911 7.911 7.991 -0.080 19568 3709 1 15 . 1 1 4 4 PHE N N 4 117.223 117.223 120.427 -3.204 19568 3710 1 15 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.116 0.324 19568 3711 1 15 . 1 1 4 4 PHE C C 4 174.872 174.872 177.774 -2.902 19568 3712 1 15 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.609 -3.016 19568 3713 1 15 . 1 1 4 4 PHE CB C 4 39.220 39.220 39.303 -0.083 19568 3714 1 15 . 1 1 4 4 PHE H H 4 7.634 7.634 8.296 -0.662 19568 3715 1 15 . 1 1 5 5 TYR N N 5 118.715 118.715 119.051 -0.336 19568 3716 1 15 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.411 0.128 19568 3717 1 15 . 1 1 5 5 TYR C C 5 176.539 176.539 177.016 -0.477 19568 3718 1 15 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.463 -2.695 19568 3719 1 15 . 1 1 5 5 TYR CB C 5 38.267 38.267 39.513 -1.246 19568 3720 1 15 . 1 1 5 5 TYR H H 5 7.877 7.877 8.355 -0.478 19568 3721 1 15 . 1 1 6 6 VAL N N 6 118.275 118.275 118.815 -0.540 19568 3722 1 15 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.638 0.296 19568 3723 1 15 . 1 1 6 6 VAL C C 6 176.487 176.487 177.348 -0.861 19568 3724 1 15 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.154 -0.692 19568 3725 1 15 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.229 0.754 19568 3726 1 15 . 1 1 6 6 VAL H H 6 7.930 7.930 7.586 0.344 19568 3727 1 15 . 1 1 7 7 THR N N 7 111.175 111.175 112.478 -1.303 19568 3728 1 15 . 1 1 7 7 THR HA H 7 4.212 4.212 4.355 -0.143 19568 3729 1 15 . 1 1 7 7 THR C C 7 175.536 175.536 176.451 -0.915 19568 3730 1 15 . 1 1 7 7 THR CA C 7 64.289 64.289 64.201 0.088 19568 3731 1 15 . 1 1 7 7 THR CB C 7 68.479 68.479 68.696 -0.217 19568 3732 1 15 . 1 1 7 7 THR H H 7 7.814 7.814 8.462 -0.648 19568 3733 1 15 . 1 1 8 8 ASP N N 8 121.151 121.151 123.463 -2.312 19568 3734 1 15 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.319 0.127 19568 3735 1 15 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.514 -0.497 19568 3736 1 15 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.387 0.308 19568 3737 1 15 . 1 1 8 8 ASP H H 8 8.006 8.006 7.656 0.350 19568 3738 1 15 . 1 1 9 9 TYR N N 9 117.806 117.806 118.361 -0.555 19568 3739 1 15 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.190 0.151 19568 3740 1 15 . 1 1 9 9 TYR C C 9 176.025 176.025 175.468 0.557 19568 3741 1 15 . 1 1 9 9 TYR CA C 9 59.525 59.525 59.517 0.008 19568 3742 1 15 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.401 0.932 19568 3743 1 15 . 1 1 9 9 TYR H H 9 7.726 7.726 7.363 0.363 19568 3744 1 15 . 1 1 10 10 LEU N N 10 116.985 116.985 119.307 -2.322 19568 3745 1 15 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.253 0.024 19568 3746 1 15 . 1 1 10 10 LEU C C 10 175.391 175.391 175.601 -0.210 19568 3747 1 15 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.141 0.552 19568 3748 1 15 . 1 1 10 10 LEU CB C 10 43.009 43.009 42.043 0.966 19568 3749 1 15 . 1 1 10 10 LEU H H 10 7.514 7.514 7.194 0.320 19568 3750 1 15 . 1 1 11 11 ASP N N 11 120.049 120.049 120.825 -0.776 19568 3751 1 15 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.759 -0.243 19568 3752 1 15 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.043 0.834 19568 3753 1 15 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.361 -2.752 19568 3754 1 15 . 1 1 11 11 ASP H H 11 7.978 7.978 7.440 0.538 19568 3755 1 15 . 1 1 12 12 VAL N N 12 118.837 118.837 120.819 -1.982 19568 3756 1 15 . 1 1 12 12 VAL CA C 12 59.819 59.819 60.895 -1.076 19568 3757 1 15 . 1 1 12 12 VAL H H 12 7.780 7.780 8.102 -0.322 19568 3758 1 15 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.582 -0.502 19568 3759 1 15 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.765 0.608 19568 3760 1 15 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.360 -0.395 19568 3761 1 15 . 1 1 14 14 SER N N 14 117.102 117.102 118.432 -1.330 19568 3762 1 15 . 1 1 14 14 SER HA H 14 4.080 4.080 4.166 -0.086 19568 3763 1 15 . 1 1 14 14 SER CA C 14 61.149 61.149 60.069 1.079 19568 3764 1 15 . 1 1 14 14 SER H H 14 8.631 8.631 8.703 -0.072 19568 3765 1 15 . 1 1 15 15 ASN N N 15 118.240 118.240 120.531 -2.291 19568 3766 1 15 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.528 -0.024 19568 3767 1 15 . 1 1 15 15 ASN C C 15 176.447 176.447 177.008 -0.561 19568 3768 1 15 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.905 -0.496 19568 3769 1 15 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.260 -0.802 19568 3770 1 15 . 1 1 15 15 ASN H H 15 8.500 8.500 8.474 0.026 19568 3771 1 15 . 1 1 16 16 ILE N N 16 118.674 118.674 118.562 0.112 19568 3772 1 15 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.923 0.062 19568 3773 1 15 . 1 1 16 16 ILE C C 16 176.784 176.784 176.901 -0.117 19568 3774 1 15 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.459 -1.121 19568 3775 1 15 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.669 -0.024 19568 3776 1 15 . 1 1 16 16 ILE H H 16 7.499 7.499 7.604 -0.105 19568 3777 1 15 . 1 1 17 17 ALA N N 17 123.146 123.146 122.578 0.568 19568 3778 1 15 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.126 -0.220 19568 3779 1 15 . 1 1 17 17 ALA C C 17 178.295 178.295 179.109 -0.814 19568 3780 1 15 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.869 0.398 19568 3781 1 15 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.332 0.205 19568 3782 1 15 . 1 1 17 17 ALA H H 17 8.154 8.154 8.139 0.015 19568 3783 1 15 . 1 1 18 18 LYS N N 18 113.996 113.996 118.831 -4.835 19568 3784 1 15 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.243 -0.294 19568 3785 1 15 . 1 1 18 18 LYS C C 18 177.195 177.195 178.721 -1.526 19568 3786 1 15 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.712 0.695 19568 3787 1 15 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.951 -0.164 19568 3788 1 15 . 1 1 18 18 LYS H H 18 7.867 7.867 7.531 0.336 19568 3789 1 15 . 1 1 19 19 ILE N N 19 115.051 115.051 120.496 -5.445 19568 3790 1 15 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.989 0.061 19568 3791 1 15 . 1 1 19 19 ILE C C 19 175.727 175.727 177.266 -1.539 19568 3792 1 15 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.362 -0.450 19568 3793 1 15 . 1 1 19 19 ILE CB C 19 38.712 38.712 37.590 1.122 19568 3794 1 15 . 1 1 19 19 ILE H H 19 7.395 7.395 7.756 -0.361 19568 3795 1 15 . 1 1 20 20 ILE N N 20 113.857 113.857 119.696 -5.839 19568 3796 1 15 . 1 1 20 20 ILE CA C 20 62.423 62.423 62.538 -0.114 19568 3797 1 15 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.189 0.683 19568 3798 1 15 . 1 1 20 20 ILE H H 20 7.468 7.468 7.598 -0.130 19568 3799 1 15 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.015 -0.152 19568 3800 1 15 . 1 1 21 21 ILE C C 21 176.210 176.210 177.457 -1.247 19568 3801 1 15 . 1 1 21 21 ILE CA C 21 64.096 64.096 63.608 0.488 19568 3802 1 15 . 1 1 22 22 GLY N N 22 106.975 106.975 109.128 -2.153 19568 3803 1 15 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.588 -0.349 19568 3804 1 15 . 1 1 22 22 GLY H H 22 8.473 8.473 8.020 0.453 19568 3805 1 15 . 1 1 23 23 PRO C C 23 177.086 177.086 178.537 -1.451 19568 3806 1 15 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.712 0.165 19568 3807 1 15 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.546 0.516 19568 3808 1 15 . 1 1 24 24 LEU N N 24 115.805 115.805 118.226 -2.421 19568 3809 1 15 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.266 -0.178 19568 3810 1 15 . 1 1 24 24 LEU C C 24 178.191 178.191 178.792 -0.601 19568 3811 1 15 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.809 0.672 19568 3812 1 15 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.134 -0.167 19568 3813 1 15 . 1 1 24 24 LEU H H 24 7.855 7.855 8.055 -0.200 19568 3814 1 15 . 1 1 25 25 ILE N N 25 118.715 118.715 121.185 -2.470 19568 3815 1 15 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.578 0.145 19568 3816 1 15 . 1 1 25 25 ILE C C 25 177.615 177.615 177.632 -0.017 19568 3817 1 15 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.293 0.097 19568 3818 1 15 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.679 -0.611 19568 3819 1 15 . 1 1 25 25 ILE H H 25 8.373 8.373 8.524 -0.151 19568 3820 1 15 . 1 1 26 26 PHE N N 26 118.782 118.782 118.701 0.081 19568 3821 1 15 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.235 -0.253 19568 3822 1 15 . 1 1 26 26 PHE CA C 26 62.503 62.503 63.077 -0.574 19568 3823 1 15 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.081 0.988 19568 3824 1 15 . 1 1 26 26 PHE H H 26 8.191 8.191 7.698 0.493 19568 3825 1 15 . 1 1 27 27 VAL N N 27 118.263 118.263 119.364 -1.101 19568 3826 1 15 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.768 -0.306 19568 3827 1 15 . 1 1 27 27 VAL C C 27 178.431 178.431 177.912 0.519 19568 3828 1 15 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.119 1.121 19568 3829 1 15 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.742 -0.636 19568 3830 1 15 . 1 1 27 27 VAL H H 27 8.530 8.530 7.449 1.081 19568 3831 1 15 . 1 1 28 28 PHE N N 28 122.020 122.020 121.450 0.570 19568 3832 1 15 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.260 -0.095 19568 3833 1 15 . 1 1 28 28 PHE C C 28 176.323 176.323 176.993 -0.670 19568 3834 1 15 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.055 -0.317 19568 3835 1 15 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.498 -0.316 19568 3836 1 15 . 1 1 28 28 PHE H H 28 8.572 8.572 8.645 -0.073 19568 3837 1 15 . 1 1 29 29 LEU N N 29 118.508 118.508 120.677 -2.169 19568 3838 1 15 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.972 -0.260 19568 3839 1 15 . 1 1 29 29 LEU C C 29 178.103 178.103 178.467 -0.364 19568 3840 1 15 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.458 -0.287 19568 3841 1 15 . 1 1 29 29 LEU CB C 29 41.995 41.995 42.024 -0.029 19568 3842 1 15 . 1 1 29 29 LEU H H 29 8.631 8.631 8.307 0.324 19568 3843 1 15 . 1 1 30 30 PHE N N 30 117.713 117.713 119.240 -1.527 19568 3844 1 15 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.251 -0.392 19568 3845 1 15 . 1 1 30 30 PHE CA C 30 61.654 61.654 60.689 0.965 19568 3846 1 15 . 1 1 30 30 PHE CB C 30 38.855 38.855 39.151 -0.297 19568 3847 1 15 . 1 1 30 30 PHE H H 30 8.701 8.701 8.345 0.356 19568 3848 1 15 . 1 1 31 31 SER N N 31 115.131 115.131 116.079 -0.948 19568 3849 1 15 . 1 1 31 31 SER HA H 31 3.933 3.933 4.036 -0.103 19568 3850 1 15 . 1 1 31 31 SER C C 31 175.646 175.646 176.880 -1.234 19568 3851 1 15 . 1 1 31 31 SER CA C 31 63.631 63.631 62.021 1.610 19568 3852 1 15 . 1 1 31 31 SER CB C 31 62.767 62.767 62.966 -0.199 19568 3853 1 15 . 1 1 31 31 SER H H 31 8.137 8.137 8.333 -0.196 19568 3854 1 15 . 1 1 32 32 VAL N N 32 120.892 120.892 121.145 -0.253 19568 3855 1 15 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.533 -0.072 19568 3856 1 15 . 1 1 32 32 VAL C C 32 178.552 178.552 177.225 1.327 19568 3857 1 15 . 1 1 32 32 VAL CA C 32 66.397 66.397 65.937 0.460 19568 3858 1 15 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.619 -0.267 19568 3859 1 15 . 1 1 32 32 VAL H H 32 7.820 7.820 7.635 0.185 19568 3860 1 15 . 1 1 33 33 VAL N N 33 121.892 121.892 120.468 1.424 19568 3861 1 15 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.599 -0.196 19568 3862 1 15 . 1 1 33 33 VAL C C 33 177.129 177.129 177.779 -0.650 19568 3863 1 15 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.614 1.088 19568 3864 1 15 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.696 -0.291 19568 3865 1 15 . 1 1 33 33 VAL H H 33 8.061 8.061 7.299 0.762 19568 3866 1 15 . 1 1 34 34 ILE N N 34 117.742 117.742 116.088 1.654 19568 3867 1 15 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.721 -0.155 19568 3868 1 15 . 1 1 34 34 ILE C C 34 178.041 178.041 177.780 0.261 19568 3869 1 15 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.144 0.196 19568 3870 1 15 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.593 -0.164 19568 3871 1 15 . 1 1 34 34 ILE H H 34 8.285 8.285 7.899 0.386 19568 3872 1 15 . 1 1 35 35 GLY N N 35 107.221 107.221 109.807 -2.586 19568 3873 1 15 . 1 1 35 35 GLY C C 35 174.842 174.842 176.087 -1.245 19568 3874 1 15 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.176 0.520 19568 3875 1 15 . 1 1 35 35 GLY H H 35 8.676 8.676 7.704 0.972 19568 3876 1 15 . 1 1 36 36 SER N N 36 117.895 117.895 117.808 0.087 19568 3877 1 15 . 1 1 36 36 SER HA H 36 4.080 4.080 4.246 -0.166 19568 3878 1 15 . 1 1 36 36 SER C C 36 175.749 175.749 176.658 -0.909 19568 3879 1 15 . 1 1 36 36 SER CA C 36 63.895 63.895 60.974 2.921 19568 3880 1 15 . 1 1 36 36 SER CB C 36 63.038 63.038 63.275 -0.237 19568 3881 1 15 . 1 1 36 36 SER H H 36 8.185 8.185 7.598 0.587 19568 3882 1 15 . 1 1 37 37 ILE N N 37 122.412 122.412 122.820 -0.408 19568 3883 1 15 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.810 -0.160 19568 3884 1 15 . 1 1 37 37 ILE C C 37 177.436 177.436 177.129 0.307 19568 3885 1 15 . 1 1 37 37 ILE CA C 37 66.079 66.079 63.491 2.588 19568 3886 1 15 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.001 -0.054 19568 3887 1 15 . 1 1 37 37 ILE H H 37 7.971 7.971 7.552 0.419 19568 3888 1 15 . 1 1 38 38 TYR N N 38 119.517 119.517 119.323 0.194 19568 3889 1 15 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.112 0.055 19568 3890 1 15 . 1 1 38 38 TYR C C 38 176.818 176.818 178.543 -1.725 19568 3891 1 15 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.033 0.419 19568 3892 1 15 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.083 0.183 19568 3893 1 15 . 1 1 38 38 TYR H H 38 8.450 8.450 8.129 0.321 19568 3894 1 15 . 1 1 39 39 LEU N N 39 117.459 117.459 120.156 -2.697 19568 3895 1 15 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.966 -0.269 19568 3896 1 15 . 1 1 39 39 LEU C C 39 178.873 178.873 178.962 -0.089 19568 3897 1 15 . 1 1 39 39 LEU CA C 39 57.930 57.930 57.966 -0.036 19568 3898 1 15 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.889 0.272 19568 3899 1 15 . 1 1 39 39 LEU H H 39 8.369 8.369 7.801 0.568 19568 3900 1 15 . 1 1 40 40 PHE N N 40 118.068 118.068 118.416 -0.348 19568 3901 1 15 . 1 1 40 40 PHE C C 40 177.002 177.002 177.215 -0.213 19568 3902 1 15 . 1 1 40 40 PHE CA C 40 61.209 61.209 60.789 0.420 19568 3903 1 15 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.132 -3.565 19568 3904 1 15 . 1 1 40 40 PHE H H 40 8.317 8.317 7.795 0.522 19568 3905 1 15 . 1 1 41 41 LEU N N 41 117.738 117.738 119.808 -2.070 19568 3906 1 15 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.157 -0.176 19568 3907 1 15 . 1 1 41 41 LEU C C 41 177.917 177.917 177.325 0.592 19568 3908 1 15 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.348 0.393 19568 3909 1 15 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.921 0.434 19568 3910 1 15 . 1 1 41 41 LEU H H 41 8.309 8.309 7.925 0.384 19568 3911 1 15 . 1 1 42 42 ARG N N 42 118.199 118.199 117.672 0.527 19568 3912 1 15 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.193 -0.182 19568 3913 1 15 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.428 -0.333 19568 3914 1 15 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.968 -0.093 19568 3915 1 15 . 1 1 42 42 ARG H H 42 7.957 7.957 7.386 0.571 19568 3916 1 15 . 1 1 43 43 LYS N N 43 119.027 119.027 120.314 -1.287 19568 3917 1 15 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.236 -0.062 19568 3918 1 15 . 1 1 43 43 LYS C C 43 176.558 176.558 175.404 1.154 19568 3919 1 15 . 1 1 43 43 LYS CA C 43 56.430 56.430 54.787 1.643 19568 3920 1 15 . 1 1 43 43 LYS CB C 43 32.576 32.576 31.050 1.526 19568 3921 1 15 . 1 1 43 43 LYS H H 43 7.799 7.799 7.485 0.314 19568 3922 1 15 . 1 1 44 44 ARG N N 44 120.558 120.558 119.722 0.836 19568 3923 1 15 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.072 0.100 19568 3924 1 15 . 1 1 44 44 ARG C C 44 175.813 175.813 176.760 -0.947 19568 3925 1 15 . 1 1 44 44 ARG CA C 44 56.216 56.216 56.570 -0.354 19568 3926 1 15 . 1 1 44 44 ARG CB C 44 30.658 30.658 28.979 1.679 19568 3927 1 15 . 1 1 44 44 ARG H H 44 7.727 7.727 7.248 0.479 19568 3928 1 15 . 1 1 45 45 GLN N N 45 122.179 122.179 123.055 -0.876 19568 3929 1 15 . 1 1 45 45 GLN C C 45 173.795 173.795 174.842 -1.047 19568 3930 1 15 . 1 1 45 45 GLN CA C 45 53.615 53.615 57.427 -3.812 19568 3931 1 15 . 1 1 45 45 GLN CB C 45 29.002 29.002 27.147 1.855 19568 3932 1 15 . 1 1 45 45 GLN H H 45 8.141 8.141 8.227 -0.086 19568 3933 1 15 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.337 0.045 19568 3934 1 15 . 1 1 46 46 PRO C C 46 176.477 176.477 177.165 -0.688 19568 3935 1 15 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.189 0.058 19568 3936 1 15 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.385 0.687 19568 3937 1 15 . 1 1 47 47 ASP N N 47 120.424 120.424 125.568 -5.144 19568 3938 1 15 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.456 0.130 19568 3939 1 15 . 1 1 47 47 ASP C C 47 176.316 176.316 176.698 -0.382 19568 3940 1 15 . 1 1 47 47 ASP CA C 47 54.356 54.356 54.093 0.263 19568 3941 1 15 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.560 1.987 19568 3942 1 15 . 1 1 47 47 ASP H H 47 8.333 8.333 8.758 -0.425 19568 3943 1 15 . 1 1 48 48 GLY N N 48 108.892 108.892 108.233 0.659 19568 3944 1 15 . 1 1 48 48 GLY C C 48 171.778 171.778 172.282 -0.504 19568 3945 1 15 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.093 0.538 19568 3946 1 15 . 1 1 48 48 GLY H H 48 8.063 8.063 7.963 0.100 19568 3947 1 15 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.280 0.091 19568 3948 1 15 . 1 1 49 49 PRO C C 49 177.077 177.077 176.648 0.429 19568 3949 1 15 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.529 0.706 19568 3950 1 15 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.283 -0.135 19568 3951 1 15 . 1 1 50 50 LEU N N 50 121.757 121.757 121.883 -0.126 19568 3952 1 15 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.419 -0.174 19568 3953 1 15 . 1 1 50 50 LEU C C 50 177.320 177.320 175.877 1.443 19568 3954 1 15 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.114 1.150 19568 3955 1 15 . 1 1 50 50 LEU CB C 50 42.248 42.248 40.463 1.785 19568 3956 1 15 . 1 1 50 50 LEU H H 50 8.263 8.263 8.219 0.044 19568 3957 1 15 . 1 1 51 51 GLU N N 51 121.007 121.007 124.681 -3.674 19568 3958 1 15 . 1 1 51 51 GLU CA C 51 56.531 56.531 55.233 1.298 19568 3959 1 15 . 1 1 51 51 GLU CB C 51 30.370 30.370 31.175 -0.805 19568 3960 1 15 . 1 1 51 51 GLU H H 51 8.166 8.166 8.286 -0.120 19568 3961 1 16 . 1 1 2 2 THR N N 2 113.734 113.734 112.399 1.335 19568 3962 1 16 . 1 1 2 2 THR HA H 2 4.076 4.076 4.332 -0.256 19568 3963 1 16 . 1 1 2 2 THR C C 2 174.729 174.729 175.062 -0.333 19568 3964 1 16 . 1 1 2 2 THR CA C 2 63.234 63.234 62.372 0.862 19568 3965 1 16 . 1 1 2 2 THR CB C 2 69.247 69.247 69.084 0.163 19568 3966 1 16 . 1 1 2 2 THR H H 2 8.100 8.100 7.749 0.351 19568 3967 1 16 . 1 1 3 3 TYR N N 3 119.785 119.785 120.890 -1.105 19568 3968 1 16 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.028 0.211 19568 3969 1 16 . 1 1 3 3 TYR C C 3 175.468 175.468 177.253 -1.785 19568 3970 1 16 . 1 1 3 3 TYR CA C 3 59.361 59.361 61.257 -1.896 19568 3971 1 16 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.696 0.840 19568 3972 1 16 . 1 1 3 3 TYR H H 3 7.911 7.911 7.642 0.269 19568 3973 1 16 . 1 1 4 4 PHE N N 4 117.223 117.223 115.054 2.169 19568 3974 1 16 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.212 0.228 19568 3975 1 16 . 1 1 4 4 PHE C C 4 174.872 174.872 177.835 -2.963 19568 3976 1 16 . 1 1 4 4 PHE CA C 4 58.593 58.593 59.924 -1.331 19568 3977 1 16 . 1 1 4 4 PHE CB C 4 39.220 39.220 37.275 1.945 19568 3978 1 16 . 1 1 4 4 PHE H H 4 7.634 7.634 6.961 0.673 19568 3979 1 16 . 1 1 5 5 TYR N N 5 118.715 118.715 119.286 -0.571 19568 3980 1 16 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.319 0.220 19568 3981 1 16 . 1 1 5 5 TYR C C 5 176.539 176.539 177.788 -1.249 19568 3982 1 16 . 1 1 5 5 TYR CA C 5 58.768 58.768 62.217 -3.449 19568 3983 1 16 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.486 -0.219 19568 3984 1 16 . 1 1 5 5 TYR H H 5 7.877 7.877 7.768 0.109 19568 3985 1 16 . 1 1 6 6 VAL N N 6 118.275 118.275 118.244 0.031 19568 3986 1 16 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.775 0.159 19568 3987 1 16 . 1 1 6 6 VAL C C 6 176.487 176.487 177.468 -0.981 19568 3988 1 16 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.185 -0.723 19568 3989 1 16 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.819 0.164 19568 3990 1 16 . 1 1 6 6 VAL H H 6 7.930 7.930 8.638 -0.708 19568 3991 1 16 . 1 1 7 7 THR N N 7 111.175 111.175 115.790 -4.615 19568 3992 1 16 . 1 1 7 7 THR HA H 7 4.212 4.212 4.470 -0.258 19568 3993 1 16 . 1 1 7 7 THR C C 7 175.536 175.536 176.090 -0.554 19568 3994 1 16 . 1 1 7 7 THR CA C 7 64.289 64.289 65.825 -1.536 19568 3995 1 16 . 1 1 7 7 THR CB C 7 68.479 68.479 68.994 -0.515 19568 3996 1 16 . 1 1 7 7 THR H H 7 7.814 7.814 8.018 -0.204 19568 3997 1 16 . 1 1 8 8 ASP N N 8 121.151 121.151 123.516 -2.365 19568 3998 1 16 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.355 0.091 19568 3999 1 16 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.922 -0.905 19568 4000 1 16 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.786 -0.091 19568 4001 1 16 . 1 1 8 8 ASP H H 8 8.006 8.006 8.306 -0.300 19568 4002 1 16 . 1 1 9 9 TYR N N 9 117.806 117.806 118.764 -0.958 19568 4003 1 16 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.429 -0.088 19568 4004 1 16 . 1 1 9 9 TYR C C 9 176.025 176.025 175.935 0.090 19568 4005 1 16 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.239 -0.714 19568 4006 1 16 . 1 1 9 9 TYR CB C 9 39.333 39.333 39.274 0.059 19568 4007 1 16 . 1 1 9 9 TYR H H 9 7.726 7.726 7.727 -0.001 19568 4008 1 16 . 1 1 10 10 LEU N N 10 116.985 116.985 120.437 -3.452 19568 4009 1 16 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.653 -0.376 19568 4010 1 16 . 1 1 10 10 LEU C C 10 175.391 175.391 174.911 0.480 19568 4011 1 16 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.468 0.225 19568 4012 1 16 . 1 1 10 10 LEU CB C 10 43.009 43.009 43.102 -0.093 19568 4013 1 16 . 1 1 10 10 LEU H H 10 7.514 7.514 7.854 -0.340 19568 4014 1 16 . 1 1 11 11 ASP N N 11 120.049 120.049 120.617 -0.568 19568 4015 1 16 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.871 -0.355 19568 4016 1 16 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.654 0.223 19568 4017 1 16 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.055 -2.445 19568 4018 1 16 . 1 1 11 11 ASP H H 11 7.978 7.978 7.743 0.235 19568 4019 1 16 . 1 1 12 12 VAL N N 12 118.837 118.837 125.696 -6.859 19568 4020 1 16 . 1 1 12 12 VAL CA C 12 59.819 59.819 58.705 1.114 19568 4021 1 16 . 1 1 12 12 VAL H H 12 7.780 7.780 8.249 -0.469 19568 4022 1 16 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.537 -0.457 19568 4023 1 16 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.861 0.512 19568 4024 1 16 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.596 -0.631 19568 4025 1 16 . 1 1 14 14 SER N N 14 117.102 117.102 117.617 -0.515 19568 4026 1 16 . 1 1 14 14 SER HA H 14 4.080 4.080 4.045 0.035 19568 4027 1 16 . 1 1 14 14 SER CA C 14 61.149 61.149 61.068 0.081 19568 4028 1 16 . 1 1 14 14 SER H H 14 8.631 8.631 8.632 -0.001 19568 4029 1 16 . 1 1 15 15 ASN N N 15 118.240 118.240 121.079 -2.839 19568 4030 1 16 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.491 0.013 19568 4031 1 16 . 1 1 15 15 ASN C C 15 176.447 176.447 177.201 -0.754 19568 4032 1 16 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.982 -0.573 19568 4033 1 16 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.065 -0.607 19568 4034 1 16 . 1 1 15 15 ASN H H 15 8.500 8.500 8.327 0.173 19568 4035 1 16 . 1 1 16 16 ILE N N 16 118.674 118.674 119.330 -0.656 19568 4036 1 16 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.927 0.058 19568 4037 1 16 . 1 1 16 16 ILE C C 16 176.784 176.784 176.781 0.003 19568 4038 1 16 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.223 -0.885 19568 4039 1 16 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.539 0.106 19568 4040 1 16 . 1 1 16 16 ILE H H 16 7.499 7.499 8.132 -0.633 19568 4041 1 16 . 1 1 17 17 ALA N N 17 123.146 123.146 122.568 0.578 19568 4042 1 16 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.115 -0.209 19568 4043 1 16 . 1 1 17 17 ALA C C 17 178.295 178.295 179.441 -1.146 19568 4044 1 16 . 1 1 17 17 ALA CA C 17 55.267 55.267 55.000 0.267 19568 4045 1 16 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.337 0.201 19568 4046 1 16 . 1 1 17 17 ALA H H 17 8.154 8.154 8.172 -0.018 19568 4047 1 16 . 1 1 18 18 LYS N N 18 113.996 113.996 118.733 -4.737 19568 4048 1 16 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.282 -0.333 19568 4049 1 16 . 1 1 18 18 LYS C C 18 177.195 177.195 178.063 -0.868 19568 4050 1 16 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.740 0.667 19568 4051 1 16 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.061 -0.274 19568 4052 1 16 . 1 1 18 18 LYS H H 18 7.867 7.867 7.523 0.344 19568 4053 1 16 . 1 1 19 19 ILE N N 19 115.051 115.051 119.350 -4.299 19568 4054 1 16 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.937 0.113 19568 4055 1 16 . 1 1 19 19 ILE C C 19 175.727 175.727 177.383 -1.656 19568 4056 1 16 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.912 -1.000 19568 4057 1 16 . 1 1 19 19 ILE CB C 19 38.712 38.712 37.901 0.811 19568 4058 1 16 . 1 1 19 19 ILE H H 19 7.395 7.395 7.671 -0.276 19568 4059 1 16 . 1 1 20 20 ILE N N 20 113.857 113.857 119.535 -5.678 19568 4060 1 16 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.060 -0.637 19568 4061 1 16 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.725 0.147 19568 4062 1 16 . 1 1 20 20 ILE H H 20 7.468 7.468 7.584 -0.116 19568 4063 1 16 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.171 -0.308 19568 4064 1 16 . 1 1 21 21 ILE C C 21 176.210 176.210 177.645 -1.435 19568 4065 1 16 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.736 1.360 19568 4066 1 16 . 1 1 22 22 GLY N N 22 106.975 106.975 109.941 -2.966 19568 4067 1 16 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.480 -0.241 19568 4068 1 16 . 1 1 22 22 GLY H H 22 8.473 8.473 8.055 0.418 19568 4069 1 16 . 1 1 23 23 PRO C C 23 177.086 177.086 178.065 -0.979 19568 4070 1 16 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.298 0.579 19568 4071 1 16 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.383 0.679 19568 4072 1 16 . 1 1 24 24 LEU N N 24 115.805 115.805 118.567 -2.762 19568 4073 1 16 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.244 -0.157 19568 4074 1 16 . 1 1 24 24 LEU C C 24 178.191 178.191 178.579 -0.388 19568 4075 1 16 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.699 0.783 19568 4076 1 16 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.242 -0.275 19568 4077 1 16 . 1 1 24 24 LEU H H 24 7.855 7.855 7.821 0.034 19568 4078 1 16 . 1 1 25 25 ILE N N 25 118.715 118.715 120.915 -2.200 19568 4079 1 16 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.696 0.027 19568 4080 1 16 . 1 1 25 25 ILE C C 25 177.615 177.615 178.077 -0.462 19568 4081 1 16 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.615 -0.225 19568 4082 1 16 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.750 -0.682 19568 4083 1 16 . 1 1 25 25 ILE H H 25 8.373 8.373 7.937 0.436 19568 4084 1 16 . 1 1 26 26 PHE N N 26 118.782 118.782 118.671 0.111 19568 4085 1 16 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.246 -0.264 19568 4086 1 16 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.964 -0.461 19568 4087 1 16 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.238 0.831 19568 4088 1 16 . 1 1 26 26 PHE H H 26 8.191 8.191 8.184 0.007 19568 4089 1 16 . 1 1 27 27 VAL N N 27 118.263 118.263 117.173 1.090 19568 4090 1 16 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.831 -0.369 19568 4091 1 16 . 1 1 27 27 VAL C C 27 178.431 178.431 177.535 0.896 19568 4092 1 16 . 1 1 27 27 VAL CA C 27 67.240 67.240 65.342 1.898 19568 4093 1 16 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.047 0.059 19568 4094 1 16 . 1 1 27 27 VAL H H 27 8.530 8.530 7.838 0.692 19568 4095 1 16 . 1 1 28 28 PHE N N 28 122.020 122.020 121.959 0.061 19568 4096 1 16 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.354 -0.189 19568 4097 1 16 . 1 1 28 28 PHE C C 28 176.323 176.323 176.969 -0.646 19568 4098 1 16 . 1 1 28 28 PHE CA C 28 61.738 61.738 61.372 0.366 19568 4099 1 16 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.385 -0.203 19568 4100 1 16 . 1 1 28 28 PHE H H 28 8.572 8.572 8.309 0.263 19568 4101 1 16 . 1 1 29 29 LEU N N 29 118.508 118.508 120.344 -1.836 19568 4102 1 16 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.771 -0.059 19568 4103 1 16 . 1 1 29 29 LEU C C 29 178.103 178.103 178.209 -0.106 19568 4104 1 16 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.198 -0.027 19568 4105 1 16 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.838 0.157 19568 4106 1 16 . 1 1 29 29 LEU H H 29 8.631 8.631 8.590 0.041 19568 4107 1 16 . 1 1 30 30 PHE N N 30 117.713 117.713 118.584 -0.871 19568 4108 1 16 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.199 -0.340 19568 4109 1 16 . 1 1 30 30 PHE CA C 30 61.654 61.654 62.174 -0.520 19568 4110 1 16 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.773 0.082 19568 4111 1 16 . 1 1 30 30 PHE H H 30 8.701 8.701 7.955 0.746 19568 4112 1 16 . 1 1 31 31 SER N N 31 115.131 115.131 115.355 -0.224 19568 4113 1 16 . 1 1 31 31 SER HA H 31 3.933 3.933 4.257 -0.324 19568 4114 1 16 . 1 1 31 31 SER C C 31 175.646 175.646 176.380 -0.734 19568 4115 1 16 . 1 1 31 31 SER CA C 31 63.631 63.631 61.765 1.866 19568 4116 1 16 . 1 1 31 31 SER CB C 31 62.767 62.767 62.718 0.049 19568 4117 1 16 . 1 1 31 31 SER H H 31 8.137 8.137 8.325 -0.188 19568 4118 1 16 . 1 1 32 32 VAL N N 32 120.892 120.892 120.095 0.797 19568 4119 1 16 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.574 -0.113 19568 4120 1 16 . 1 1 32 32 VAL C C 32 178.552 178.552 177.591 0.961 19568 4121 1 16 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.676 -0.279 19568 4122 1 16 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.396 -0.044 19568 4123 1 16 . 1 1 32 32 VAL H H 32 7.820 7.820 7.475 0.345 19568 4124 1 16 . 1 1 33 33 VAL N N 33 121.892 121.892 117.720 4.172 19568 4125 1 16 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.584 -0.181 19568 4126 1 16 . 1 1 33 33 VAL C C 33 177.129 177.129 177.690 -0.561 19568 4127 1 16 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.387 1.315 19568 4128 1 16 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.493 -0.088 19568 4129 1 16 . 1 1 33 33 VAL H H 33 8.061 8.061 7.372 0.689 19568 4130 1 16 . 1 1 34 34 ILE N N 34 117.742 117.742 119.999 -2.257 19568 4131 1 16 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.793 -0.227 19568 4132 1 16 . 1 1 34 34 ILE C C 34 178.041 178.041 177.928 0.113 19568 4133 1 16 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.846 0.493 19568 4134 1 16 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.389 -0.960 19568 4135 1 16 . 1 1 34 34 ILE H H 34 8.285 8.285 8.261 0.024 19568 4136 1 16 . 1 1 35 35 GLY N N 35 107.221 107.221 108.364 -1.143 19568 4137 1 16 . 1 1 35 35 GLY C C 35 174.842 174.842 176.001 -1.159 19568 4138 1 16 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.242 0.454 19568 4139 1 16 . 1 1 35 35 GLY H H 35 8.676 8.676 7.848 0.828 19568 4140 1 16 . 1 1 36 36 SER N N 36 117.895 117.895 117.400 0.495 19568 4141 1 16 . 1 1 36 36 SER HA H 36 4.080 4.080 4.309 -0.229 19568 4142 1 16 . 1 1 36 36 SER C C 36 175.749 175.749 176.876 -1.127 19568 4143 1 16 . 1 1 36 36 SER CA C 36 63.895 63.895 60.591 3.304 19568 4144 1 16 . 1 1 36 36 SER CB C 36 63.038 63.038 62.897 0.141 19568 4145 1 16 . 1 1 36 36 SER H H 36 8.185 8.185 7.852 0.333 19568 4146 1 16 . 1 1 37 37 ILE N N 37 122.412 122.412 122.399 0.013 19568 4147 1 16 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.797 -0.147 19568 4148 1 16 . 1 1 37 37 ILE C C 37 177.436 177.436 177.282 0.154 19568 4149 1 16 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.655 1.424 19568 4150 1 16 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.023 -0.076 19568 4151 1 16 . 1 1 37 37 ILE H H 37 7.971 7.971 8.031 -0.060 19568 4152 1 16 . 1 1 38 38 TYR N N 38 119.517 119.517 121.062 -1.545 19568 4153 1 16 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.121 0.046 19568 4154 1 16 . 1 1 38 38 TYR C C 38 176.818 176.818 177.386 -0.568 19568 4155 1 16 . 1 1 38 38 TYR CA C 38 62.452 62.452 61.258 1.194 19568 4156 1 16 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.222 0.044 19568 4157 1 16 . 1 1 38 38 TYR H H 38 8.450 8.450 7.750 0.700 19568 4158 1 16 . 1 1 39 39 LEU N N 39 117.459 117.459 118.492 -1.033 19568 4159 1 16 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.734 -0.037 19568 4160 1 16 . 1 1 39 39 LEU C C 39 178.873 178.873 179.113 -0.240 19568 4161 1 16 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.266 -0.336 19568 4162 1 16 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.661 0.499 19568 4163 1 16 . 1 1 39 39 LEU H H 39 8.369 8.369 7.757 0.612 19568 4164 1 16 . 1 1 40 40 PHE N N 40 118.068 118.068 118.491 -0.423 19568 4165 1 16 . 1 1 40 40 PHE C C 40 177.002 177.002 177.118 -0.116 19568 4166 1 16 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.089 0.120 19568 4167 1 16 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.295 -3.728 19568 4168 1 16 . 1 1 40 40 PHE H H 40 8.317 8.317 7.679 0.638 19568 4169 1 16 . 1 1 41 41 LEU N N 41 117.738 117.738 118.741 -1.003 19568 4170 1 16 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.167 -0.186 19568 4171 1 16 . 1 1 41 41 LEU C C 41 177.917 177.917 177.816 0.101 19568 4172 1 16 . 1 1 41 41 LEU CA C 41 56.741 56.741 55.411 1.330 19568 4173 1 16 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.794 0.561 19568 4174 1 16 . 1 1 41 41 LEU H H 41 8.309 8.309 7.892 0.417 19568 4175 1 16 . 1 1 42 42 ARG N N 42 118.199 118.199 119.764 -1.565 19568 4176 1 16 . 1 1 42 42 ARG HA H 42 4.011 4.011 3.849 0.162 19568 4177 1 16 . 1 1 42 42 ARG CA C 42 57.096 57.096 58.086 -0.990 19568 4178 1 16 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.528 0.347 19568 4179 1 16 . 1 1 42 42 ARG H H 42 7.957 7.957 7.299 0.658 19568 4180 1 16 . 1 1 43 43 LYS N N 43 119.027 119.027 117.789 1.238 19568 4181 1 16 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.252 -0.078 19568 4182 1 16 . 1 1 43 43 LYS C C 43 176.558 176.558 175.991 0.567 19568 4183 1 16 . 1 1 43 43 LYS CA C 43 56.430 56.430 54.995 1.435 19568 4184 1 16 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.487 0.089 19568 4185 1 16 . 1 1 43 43 LYS H H 43 7.799 7.799 7.384 0.415 19568 4186 1 16 . 1 1 44 44 ARG N N 44 120.558 120.558 122.170 -1.612 19568 4187 1 16 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.091 0.081 19568 4188 1 16 . 1 1 44 44 ARG C C 44 175.813 175.813 176.179 -0.366 19568 4189 1 16 . 1 1 44 44 ARG CA C 44 56.216 56.216 56.862 -0.646 19568 4190 1 16 . 1 1 44 44 ARG CB C 44 30.658 30.658 28.852 1.806 19568 4191 1 16 . 1 1 44 44 ARG H H 44 7.727 7.727 7.661 0.066 19568 4192 1 16 . 1 1 45 45 GLN N N 45 122.179 122.179 123.759 -1.580 19568 4193 1 16 . 1 1 45 45 GLN C C 45 173.795 173.795 173.367 0.428 19568 4194 1 16 . 1 1 45 45 GLN CA C 45 53.615 53.615 53.557 0.058 19568 4195 1 16 . 1 1 45 45 GLN CB C 45 29.002 29.002 29.135 -0.133 19568 4196 1 16 . 1 1 45 45 GLN H H 45 8.141 8.141 8.358 -0.217 19568 4197 1 16 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.280 0.102 19568 4198 1 16 . 1 1 46 46 PRO C C 46 176.477 176.477 176.979 -0.502 19568 4199 1 16 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.149 0.098 19568 4200 1 16 . 1 1 46 46 PRO CB C 46 32.072 32.072 32.058 0.014 19568 4201 1 16 . 1 1 47 47 ASP N N 47 120.424 120.424 125.181 -4.757 19568 4202 1 16 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.410 0.176 19568 4203 1 16 . 1 1 47 47 ASP C C 47 176.316 176.316 176.473 -0.157 19568 4204 1 16 . 1 1 47 47 ASP CA C 47 54.356 54.356 54.275 0.081 19568 4205 1 16 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.768 2.779 19568 4206 1 16 . 1 1 47 47 ASP H H 47 8.333 8.333 8.598 -0.265 19568 4207 1 16 . 1 1 48 48 GLY N N 48 108.892 108.892 109.283 -0.391 19568 4208 1 16 . 1 1 48 48 GLY C C 48 171.778 171.778 173.005 -1.227 19568 4209 1 16 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.738 -0.108 19568 4210 1 16 . 1 1 48 48 GLY H H 48 8.063 8.063 8.165 -0.102 19568 4211 1 16 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.342 0.029 19568 4212 1 16 . 1 1 49 49 PRO C C 49 177.077 177.077 176.435 0.642 19568 4213 1 16 . 1 1 49 49 PRO CA C 49 63.235 63.235 62.284 0.951 19568 4214 1 16 . 1 1 49 49 PRO CB C 49 32.148 32.148 30.991 1.157 19568 4215 1 16 . 1 1 50 50 LEU N N 50 121.757 121.757 119.876 1.881 19568 4216 1 16 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.052 0.193 19568 4217 1 16 . 1 1 50 50 LEU C C 50 177.320 177.320 176.459 0.861 19568 4218 1 16 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.411 -0.147 19568 4219 1 16 . 1 1 50 50 LEU CB C 50 42.248 42.248 40.926 1.322 19568 4220 1 16 . 1 1 50 50 LEU H H 50 8.263 8.263 8.155 0.108 19568 4221 1 16 . 1 1 51 51 GLU N N 51 121.007 121.007 120.043 0.964 19568 4222 1 16 . 1 1 51 51 GLU CA C 51 56.531 56.531 57.408 -0.877 19568 4223 1 16 . 1 1 51 51 GLU CB C 51 30.370 30.370 28.982 1.388 19568 4224 1 16 . 1 1 51 51 GLU H H 51 8.166 8.166 8.099 0.067 19568 4225 1 17 . 1 1 2 2 THR N N 2 113.734 113.734 112.377 1.357 19568 4226 1 17 . 1 1 2 2 THR HA H 2 4.076 4.076 4.315 -0.239 19568 4227 1 17 . 1 1 2 2 THR C C 2 174.729 174.729 175.004 -0.275 19568 4228 1 17 . 1 1 2 2 THR CA C 2 63.234 63.234 63.496 -0.262 19568 4229 1 17 . 1 1 2 2 THR CB C 2 69.247 69.247 69.042 0.205 19568 4230 1 17 . 1 1 2 2 THR H H 2 8.100 8.100 8.490 -0.390 19568 4231 1 17 . 1 1 3 3 TYR N N 3 119.785 119.785 119.050 0.735 19568 4232 1 17 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.583 -0.344 19568 4233 1 17 . 1 1 3 3 TYR C C 3 175.468 175.468 176.859 -1.391 19568 4234 1 17 . 1 1 3 3 TYR CA C 3 59.361 59.361 58.614 0.747 19568 4235 1 17 . 1 1 3 3 TYR CB C 3 38.536 38.536 39.153 -0.617 19568 4236 1 17 . 1 1 3 3 TYR H H 3 7.911 7.911 8.023 -0.112 19568 4237 1 17 . 1 1 4 4 PHE N N 4 117.223 117.223 121.663 -4.440 19568 4238 1 17 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.178 0.262 19568 4239 1 17 . 1 1 4 4 PHE C C 4 174.872 174.872 177.406 -2.534 19568 4240 1 17 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.742 -3.149 19568 4241 1 17 . 1 1 4 4 PHE CB C 4 39.220 39.220 39.238 -0.018 19568 4242 1 17 . 1 1 4 4 PHE H H 4 7.634 7.634 7.930 -0.296 19568 4243 1 17 . 1 1 5 5 TYR N N 5 118.715 118.715 118.753 -0.038 19568 4244 1 17 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.235 0.304 19568 4245 1 17 . 1 1 5 5 TYR C C 5 176.539 176.539 177.388 -0.849 19568 4246 1 17 . 1 1 5 5 TYR CA C 5 58.768 58.768 62.109 -3.341 19568 4247 1 17 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.596 -0.329 19568 4248 1 17 . 1 1 5 5 TYR H H 5 7.877 7.877 8.310 -0.433 19568 4249 1 17 . 1 1 6 6 VAL N N 6 118.275 118.275 116.758 1.517 19568 4250 1 17 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.568 0.366 19568 4251 1 17 . 1 1 6 6 VAL C C 6 176.487 176.487 177.281 -0.794 19568 4252 1 17 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.562 -1.100 19568 4253 1 17 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.416 0.567 19568 4254 1 17 . 1 1 6 6 VAL H H 6 7.930 7.930 8.391 -0.461 19568 4255 1 17 . 1 1 7 7 THR N N 7 111.175 111.175 112.407 -1.232 19568 4256 1 17 . 1 1 7 7 THR HA H 7 4.212 4.212 4.128 0.084 19568 4257 1 17 . 1 1 7 7 THR C C 7 175.536 175.536 176.652 -1.116 19568 4258 1 17 . 1 1 7 7 THR CA C 7 64.289 64.289 65.013 -0.724 19568 4259 1 17 . 1 1 7 7 THR CB C 7 68.479 68.479 68.781 -0.302 19568 4260 1 17 . 1 1 7 7 THR H H 7 7.814 7.814 7.773 0.041 19568 4261 1 17 . 1 1 8 8 ASP N N 8 121.151 121.151 122.481 -1.330 19568 4262 1 17 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.333 0.113 19568 4263 1 17 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.091 -0.074 19568 4264 1 17 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.422 0.273 19568 4265 1 17 . 1 1 8 8 ASP H H 8 8.006 8.006 7.550 0.456 19568 4266 1 17 . 1 1 9 9 TYR N N 9 117.806 117.806 120.049 -2.243 19568 4267 1 17 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.048 0.293 19568 4268 1 17 . 1 1 9 9 TYR C C 9 176.025 176.025 176.439 -0.414 19568 4269 1 17 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.788 -1.263 19568 4270 1 17 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.417 0.916 19568 4271 1 17 . 1 1 9 9 TYR H H 9 7.726 7.726 8.284 -0.558 19568 4272 1 17 . 1 1 10 10 LEU N N 10 116.985 116.985 118.972 -1.987 19568 4273 1 17 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.414 -0.137 19568 4274 1 17 . 1 1 10 10 LEU C C 10 175.391 175.391 175.761 -0.370 19568 4275 1 17 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.976 -0.283 19568 4276 1 17 . 1 1 10 10 LEU CB C 10 43.009 43.009 42.309 0.700 19568 4277 1 17 . 1 1 10 10 LEU H H 10 7.514 7.514 7.240 0.274 19568 4278 1 17 . 1 1 11 11 ASP N N 11 120.049 120.049 121.223 -1.174 19568 4279 1 17 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.843 -0.327 19568 4280 1 17 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.469 0.407 19568 4281 1 17 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.194 -2.584 19568 4282 1 17 . 1 1 11 11 ASP H H 11 7.978 7.978 7.873 0.105 19568 4283 1 17 . 1 1 12 12 VAL N N 12 118.837 118.837 119.590 -0.753 19568 4284 1 17 . 1 1 12 12 VAL CA C 12 59.819 59.819 58.706 1.113 19568 4285 1 17 . 1 1 12 12 VAL H H 12 7.780 7.780 8.016 -0.236 19568 4286 1 17 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.460 -0.380 19568 4287 1 17 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.825 0.548 19568 4288 1 17 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.495 -0.530 19568 4289 1 17 . 1 1 14 14 SER N N 14 117.102 117.102 118.593 -1.491 19568 4290 1 17 . 1 1 14 14 SER HA H 14 4.080 4.080 4.176 -0.096 19568 4291 1 17 . 1 1 14 14 SER CA C 14 61.149 61.149 59.847 1.302 19568 4292 1 17 . 1 1 14 14 SER H H 14 8.631 8.631 8.619 0.012 19568 4293 1 17 . 1 1 15 15 ASN N N 15 118.240 118.240 120.036 -1.796 19568 4294 1 17 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.491 0.013 19568 4295 1 17 . 1 1 15 15 ASN C C 15 176.447 176.447 177.232 -0.785 19568 4296 1 17 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.847 -0.438 19568 4297 1 17 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.238 -0.780 19568 4298 1 17 . 1 1 15 15 ASN H H 15 8.500 8.500 8.495 0.005 19568 4299 1 17 . 1 1 16 16 ILE N N 16 118.674 118.674 118.987 -0.313 19568 4300 1 17 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.866 0.119 19568 4301 1 17 . 1 1 16 16 ILE C C 16 176.784 176.784 176.955 -0.171 19568 4302 1 17 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.839 -1.501 19568 4303 1 17 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.700 -0.055 19568 4304 1 17 . 1 1 16 16 ILE H H 16 7.499 7.499 7.743 -0.244 19568 4305 1 17 . 1 1 17 17 ALA N N 17 123.146 123.146 122.328 0.818 19568 4306 1 17 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.107 -0.201 19568 4307 1 17 . 1 1 17 17 ALA C C 17 178.295 178.295 179.072 -0.777 19568 4308 1 17 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.968 0.298 19568 4309 1 17 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.357 0.181 19568 4310 1 17 . 1 1 17 17 ALA H H 17 8.154 8.154 8.157 -0.003 19568 4311 1 17 . 1 1 18 18 LYS N N 18 113.996 113.996 118.891 -4.895 19568 4312 1 17 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.252 -0.303 19568 4313 1 17 . 1 1 18 18 LYS C C 18 177.195 177.195 178.126 -0.931 19568 4314 1 17 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.802 0.605 19568 4315 1 17 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.143 -0.356 19568 4316 1 17 . 1 1 18 18 LYS H H 18 7.867 7.867 7.453 0.414 19568 4317 1 17 . 1 1 19 19 ILE N N 19 115.051 115.051 118.693 -3.642 19568 4318 1 17 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.913 0.137 19568 4319 1 17 . 1 1 19 19 ILE C C 19 175.727 175.727 177.502 -1.775 19568 4320 1 17 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.037 -1.125 19568 4321 1 17 . 1 1 19 19 ILE CB C 19 38.712 38.712 37.837 0.875 19568 4322 1 17 . 1 1 19 19 ILE H H 19 7.395 7.395 7.952 -0.557 19568 4323 1 17 . 1 1 20 20 ILE N N 20 113.857 113.857 119.628 -5.771 19568 4324 1 17 . 1 1 20 20 ILE CA C 20 62.423 62.423 62.953 -0.530 19568 4325 1 17 . 1 1 20 20 ILE CB C 20 38.872 38.872 39.208 -0.336 19568 4326 1 17 . 1 1 20 20 ILE H H 20 7.468 7.468 7.470 -0.002 19568 4327 1 17 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.208 -0.345 19568 4328 1 17 . 1 1 21 21 ILE C C 21 176.210 176.210 177.265 -1.055 19568 4329 1 17 . 1 1 21 21 ILE CA C 21 64.096 64.096 61.168 2.928 19568 4330 1 17 . 1 1 22 22 GLY N N 22 106.975 106.975 109.646 -2.671 19568 4331 1 17 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.337 -0.099 19568 4332 1 17 . 1 1 22 22 GLY H H 22 8.473 8.473 7.984 0.489 19568 4333 1 17 . 1 1 23 23 PRO C C 23 177.086 177.086 178.091 -1.005 19568 4334 1 17 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.270 0.607 19568 4335 1 17 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.406 0.656 19568 4336 1 17 . 1 1 24 24 LEU N N 24 115.805 115.805 118.678 -2.873 19568 4337 1 17 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.203 -0.116 19568 4338 1 17 . 1 1 24 24 LEU C C 24 178.191 178.191 178.525 -0.334 19568 4339 1 17 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.845 0.637 19568 4340 1 17 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.237 -0.271 19568 4341 1 17 . 1 1 24 24 LEU H H 24 7.855 7.855 7.781 0.074 19568 4342 1 17 . 1 1 25 25 ILE N N 25 118.715 118.715 120.171 -1.456 19568 4343 1 17 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.731 -0.008 19568 4344 1 17 . 1 1 25 25 ILE C C 25 177.615 177.615 178.519 -0.904 19568 4345 1 17 . 1 1 25 25 ILE CA C 25 65.390 65.390 63.757 1.633 19568 4346 1 17 . 1 1 25 25 ILE CB C 25 37.068 37.068 36.435 0.633 19568 4347 1 17 . 1 1 25 25 ILE H H 25 8.373 8.373 7.912 0.461 19568 4348 1 17 . 1 1 26 26 PHE N N 26 118.782 118.782 120.663 -1.881 19568 4349 1 17 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.228 -0.246 19568 4350 1 17 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.581 -0.078 19568 4351 1 17 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.438 0.631 19568 4352 1 17 . 1 1 26 26 PHE H H 26 8.191 8.191 7.812 0.379 19568 4353 1 17 . 1 1 27 27 VAL N N 27 118.263 118.263 119.116 -0.853 19568 4354 1 17 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.552 -0.090 19568 4355 1 17 . 1 1 27 27 VAL C C 27 178.431 178.431 178.031 0.400 19568 4356 1 17 . 1 1 27 27 VAL CA C 27 67.240 67.240 65.331 1.909 19568 4357 1 17 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.122 -0.016 19568 4358 1 17 . 1 1 27 27 VAL H H 27 8.530 8.530 7.455 1.075 19568 4359 1 17 . 1 1 28 28 PHE N N 28 122.020 122.020 120.961 1.059 19568 4360 1 17 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.371 -0.206 19568 4361 1 17 . 1 1 28 28 PHE C C 28 176.323 176.323 177.319 -0.996 19568 4362 1 17 . 1 1 28 28 PHE CA C 28 61.738 61.738 61.024 0.714 19568 4363 1 17 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.305 -0.123 19568 4364 1 17 . 1 1 28 28 PHE H H 28 8.572 8.572 8.366 0.206 19568 4365 1 17 . 1 1 29 29 LEU N N 29 118.508 118.508 121.415 -2.907 19568 4366 1 17 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.963 -0.251 19568 4367 1 17 . 1 1 29 29 LEU C C 29 178.103 178.103 177.888 0.215 19568 4368 1 17 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.343 0.828 19568 4369 1 17 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.245 0.750 19568 4370 1 17 . 1 1 29 29 LEU H H 29 8.631 8.631 8.178 0.453 19568 4371 1 17 . 1 1 30 30 PHE N N 30 117.713 117.713 118.583 -0.870 19568 4372 1 17 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.071 -0.212 19568 4373 1 17 . 1 1 30 30 PHE CA C 30 61.654 61.654 60.888 0.766 19568 4374 1 17 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.187 0.668 19568 4375 1 17 . 1 1 30 30 PHE H H 30 8.701 8.701 8.417 0.284 19568 4376 1 17 . 1 1 31 31 SER N N 31 115.131 115.131 115.533 -0.402 19568 4377 1 17 . 1 1 31 31 SER HA H 31 3.933 3.933 4.170 -0.237 19568 4378 1 17 . 1 1 31 31 SER C C 31 175.646 175.646 176.842 -1.196 19568 4379 1 17 . 1 1 31 31 SER CA C 31 63.631 63.631 61.712 1.919 19568 4380 1 17 . 1 1 31 31 SER CB C 31 62.767 62.767 62.953 -0.187 19568 4381 1 17 . 1 1 31 31 SER H H 31 8.137 8.137 8.060 0.077 19568 4382 1 17 . 1 1 32 32 VAL N N 32 120.892 120.892 122.212 -1.320 19568 4383 1 17 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.524 -0.063 19568 4384 1 17 . 1 1 32 32 VAL C C 32 178.552 178.552 177.486 1.066 19568 4385 1 17 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.034 0.363 19568 4386 1 17 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.008 0.344 19568 4387 1 17 . 1 1 32 32 VAL H H 32 7.820 7.820 7.602 0.218 19568 4388 1 17 . 1 1 33 33 VAL N N 33 121.892 121.892 120.260 1.632 19568 4389 1 17 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.478 -0.075 19568 4390 1 17 . 1 1 33 33 VAL C C 33 177.129 177.129 178.009 -0.880 19568 4391 1 17 . 1 1 33 33 VAL CA C 33 67.702 67.702 67.088 0.614 19568 4392 1 17 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.732 -0.327 19568 4393 1 17 . 1 1 33 33 VAL H H 33 8.061 8.061 7.640 0.421 19568 4394 1 17 . 1 1 34 34 ILE N N 34 117.742 117.742 118.783 -1.041 19568 4395 1 17 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.756 -0.190 19568 4396 1 17 . 1 1 34 34 ILE C C 34 178.041 178.041 177.607 0.434 19568 4397 1 17 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.794 0.546 19568 4398 1 17 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.512 -1.083 19568 4399 1 17 . 1 1 34 34 ILE H H 34 8.285 8.285 7.737 0.548 19568 4400 1 17 . 1 1 35 35 GLY N N 35 107.221 107.221 108.829 -1.608 19568 4401 1 17 . 1 1 35 35 GLY C C 35 174.842 174.842 176.108 -1.266 19568 4402 1 17 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.158 0.538 19568 4403 1 17 . 1 1 35 35 GLY H H 35 8.676 8.676 7.642 1.034 19568 4404 1 17 . 1 1 36 36 SER N N 36 117.895 117.895 117.014 0.881 19568 4405 1 17 . 1 1 36 36 SER HA H 36 4.080 4.080 4.317 -0.237 19568 4406 1 17 . 1 1 36 36 SER C C 36 175.749 175.749 176.873 -1.124 19568 4407 1 17 . 1 1 36 36 SER CA C 36 63.895 63.895 61.071 2.824 19568 4408 1 17 . 1 1 36 36 SER CB C 36 63.038 63.038 63.114 -0.076 19568 4409 1 17 . 1 1 36 36 SER H H 36 8.185 8.185 7.927 0.258 19568 4410 1 17 . 1 1 37 37 ILE N N 37 122.412 122.412 122.899 -0.487 19568 4411 1 17 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.819 -0.169 19568 4412 1 17 . 1 1 37 37 ILE C C 37 177.436 177.436 177.257 0.179 19568 4413 1 17 . 1 1 37 37 ILE CA C 37 66.079 66.079 62.822 3.257 19568 4414 1 17 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.140 0.807 19568 4415 1 17 . 1 1 37 37 ILE H H 37 7.971 7.971 7.914 0.057 19568 4416 1 17 . 1 1 38 38 TYR N N 38 119.517 119.517 121.133 -1.616 19568 4417 1 17 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.037 0.130 19568 4418 1 17 . 1 1 38 38 TYR C C 38 176.818 176.818 177.984 -1.166 19568 4419 1 17 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.551 -0.099 19568 4420 1 17 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.068 0.198 19568 4421 1 17 . 1 1 38 38 TYR H H 38 8.450 8.450 8.075 0.375 19568 4422 1 17 . 1 1 39 39 LEU N N 39 117.459 117.459 117.687 -0.228 19568 4423 1 17 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.935 -0.238 19568 4424 1 17 . 1 1 39 39 LEU C C 39 178.873 178.873 178.563 0.310 19568 4425 1 17 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.175 -0.245 19568 4426 1 17 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.824 0.337 19568 4427 1 17 . 1 1 39 39 LEU H H 39 8.369 8.369 7.706 0.663 19568 4428 1 17 . 1 1 40 40 PHE N N 40 118.068 118.068 115.707 2.361 19568 4429 1 17 . 1 1 40 40 PHE C C 40 177.002 177.002 177.595 -0.593 19568 4430 1 17 . 1 1 40 40 PHE CA C 40 61.209 61.209 60.196 1.013 19568 4431 1 17 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.285 -3.718 19568 4432 1 17 . 1 1 40 40 PHE H H 40 8.317 8.317 7.870 0.447 19568 4433 1 17 . 1 1 41 41 LEU N N 41 117.738 117.738 120.041 -2.303 19568 4434 1 17 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.189 -0.208 19568 4435 1 17 . 1 1 41 41 LEU C C 41 177.917 177.917 178.556 -0.639 19568 4436 1 17 . 1 1 41 41 LEU CA C 41 56.741 56.741 55.506 1.235 19568 4437 1 17 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.116 1.239 19568 4438 1 17 . 1 1 41 41 LEU H H 41 8.309 8.309 7.990 0.319 19568 4439 1 17 . 1 1 42 42 ARG N N 42 118.199 118.199 119.250 -1.051 19568 4440 1 17 . 1 1 42 42 ARG HA H 42 4.011 4.011 3.836 0.175 19568 4441 1 17 . 1 1 42 42 ARG CA C 42 57.096 57.096 58.272 -1.175 19568 4442 1 17 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.885 -0.010 19568 4443 1 17 . 1 1 42 42 ARG H H 42 7.957 7.957 7.645 0.312 19568 4444 1 17 . 1 1 43 43 LYS N N 43 119.027 119.027 115.389 3.638 19568 4445 1 17 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.269 -0.095 19568 4446 1 17 . 1 1 43 43 LYS C C 43 176.558 176.558 176.862 -0.304 19568 4447 1 17 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.579 -0.149 19568 4448 1 17 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.632 -0.056 19568 4449 1 17 . 1 1 43 43 LYS H H 43 7.799 7.799 7.322 0.477 19568 4450 1 17 . 1 1 44 44 ARG N N 44 120.558 120.558 119.522 1.036 19568 4451 1 17 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.394 -0.222 19568 4452 1 17 . 1 1 44 44 ARG C C 44 175.813 175.813 174.847 0.966 19568 4453 1 17 . 1 1 44 44 ARG CA C 44 56.216 56.216 54.882 1.334 19568 4454 1 17 . 1 1 44 44 ARG CB C 44 30.658 30.658 31.930 -1.272 19568 4455 1 17 . 1 1 44 44 ARG H H 44 7.727 7.727 7.901 -0.174 19568 4456 1 17 . 1 1 45 45 GLN N N 45 122.179 122.179 118.897 3.282 19568 4457 1 17 . 1 1 45 45 GLN C C 45 173.795 173.795 173.870 -0.075 19568 4458 1 17 . 1 1 45 45 GLN CA C 45 53.615 53.615 56.044 -2.429 19568 4459 1 17 . 1 1 45 45 GLN CB C 45 29.002 29.002 27.142 1.860 19568 4460 1 17 . 1 1 45 45 GLN H H 45 8.141 8.141 8.378 -0.237 19568 4461 1 17 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.243 0.139 19568 4462 1 17 . 1 1 46 46 PRO C C 46 176.477 176.477 177.289 -0.812 19568 4463 1 17 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.174 0.073 19568 4464 1 17 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.455 0.617 19568 4465 1 17 . 1 1 47 47 ASP N N 47 120.424 120.424 126.696 -6.272 19568 4466 1 17 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.464 0.122 19568 4467 1 17 . 1 1 47 47 ASP C C 47 176.316 176.316 176.105 0.211 19568 4468 1 17 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.121 1.235 19568 4469 1 17 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.840 1.707 19568 4470 1 17 . 1 1 47 47 ASP H H 47 8.333 8.333 8.513 -0.180 19568 4471 1 17 . 1 1 48 48 GLY N N 48 108.892 108.892 108.526 0.366 19568 4472 1 17 . 1 1 48 48 GLY C C 48 171.778 171.778 172.520 -0.742 19568 4473 1 17 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.404 0.226 19568 4474 1 17 . 1 1 48 48 GLY H H 48 8.063 8.063 8.142 -0.079 19568 4475 1 17 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.365 0.006 19568 4476 1 17 . 1 1 49 49 PRO C C 49 177.077 177.077 176.073 1.004 19568 4477 1 17 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.069 0.166 19568 4478 1 17 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.230 -0.082 19568 4479 1 17 . 1 1 50 50 LEU N N 50 121.757 121.757 123.658 -1.901 19568 4480 1 17 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.630 -0.385 19568 4481 1 17 . 1 1 50 50 LEU C C 50 177.320 177.320 175.640 1.680 19568 4482 1 17 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.696 0.568 19568 4483 1 17 . 1 1 50 50 LEU CB C 50 42.248 42.248 42.980 -0.732 19568 4484 1 17 . 1 1 50 50 LEU H H 50 8.263 8.263 8.280 -0.017 19568 4485 1 17 . 1 1 51 51 GLU N N 51 121.007 121.007 124.445 -3.438 19568 4486 1 17 . 1 1 51 51 GLU CA C 51 56.531 56.531 56.117 0.414 19568 4487 1 17 . 1 1 51 51 GLU CB C 51 30.370 30.370 30.720 -0.350 19568 4488 1 17 . 1 1 51 51 GLU H H 51 8.166 8.166 8.529 -0.363 19568 4489 1 18 . 1 1 2 2 THR N N 2 113.734 113.734 114.573 -0.839 19568 4490 1 18 . 1 1 2 2 THR HA H 2 4.076 4.076 4.390 -0.314 19568 4491 1 18 . 1 1 2 2 THR C C 2 174.729 174.729 175.085 -0.356 19568 4492 1 18 . 1 1 2 2 THR CA C 2 63.234 63.234 63.080 0.154 19568 4493 1 18 . 1 1 2 2 THR CB C 2 69.247 69.247 69.231 0.016 19568 4494 1 18 . 1 1 2 2 THR H H 2 8.100 8.100 7.615 0.485 19568 4495 1 18 . 1 1 3 3 TYR N N 3 119.785 119.785 118.169 1.616 19568 4496 1 18 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.910 -0.671 19568 4497 1 18 . 1 1 3 3 TYR C C 3 175.468 175.468 176.474 -1.006 19568 4498 1 18 . 1 1 3 3 TYR CA C 3 59.361 59.361 56.293 3.068 19568 4499 1 18 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.141 1.395 19568 4500 1 18 . 1 1 3 3 TYR H H 3 7.911 7.911 6.914 0.997 19568 4501 1 18 . 1 1 4 4 PHE N N 4 117.223 117.223 119.134 -1.911 19568 4502 1 18 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.116 0.324 19568 4503 1 18 . 1 1 4 4 PHE C C 4 174.872 174.872 176.061 -1.189 19568 4504 1 18 . 1 1 4 4 PHE CA C 4 58.593 58.593 59.916 -1.323 19568 4505 1 18 . 1 1 4 4 PHE CB C 4 39.220 39.220 37.562 1.658 19568 4506 1 18 . 1 1 4 4 PHE H H 4 7.634 7.634 8.185 -0.551 19568 4507 1 18 . 1 1 5 5 TYR N N 5 118.715 118.715 119.234 -0.519 19568 4508 1 18 . 1 1 5 5 TYR HA H 5 4.539 4.539 3.629 0.910 19568 4509 1 18 . 1 1 5 5 TYR C C 5 176.539 176.539 177.447 -0.908 19568 4510 1 18 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.134 -2.366 19568 4511 1 18 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.325 -0.058 19568 4512 1 18 . 1 1 5 5 TYR H H 5 7.877 7.877 7.424 0.453 19568 4513 1 18 . 1 1 6 6 VAL N N 6 118.275 118.275 117.725 0.550 19568 4514 1 18 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.705 0.229 19568 4515 1 18 . 1 1 6 6 VAL C C 6 176.487 176.487 177.960 -1.473 19568 4516 1 18 . 1 1 6 6 VAL CA C 6 64.462 64.462 64.437 0.025 19568 4517 1 18 . 1 1 6 6 VAL CB C 6 31.983 31.983 30.509 1.474 19568 4518 1 18 . 1 1 6 6 VAL H H 6 7.930 7.930 8.381 -0.451 19568 4519 1 18 . 1 1 7 7 THR N N 7 111.175 111.175 116.730 -5.555 19568 4520 1 18 . 1 1 7 7 THR HA H 7 4.212 4.212 4.203 0.009 19568 4521 1 18 . 1 1 7 7 THR C C 7 175.536 175.536 176.059 -0.523 19568 4522 1 18 . 1 1 7 7 THR CA C 7 64.289 64.289 66.265 -1.976 19568 4523 1 18 . 1 1 7 7 THR CB C 7 68.479 68.479 68.625 -0.146 19568 4524 1 18 . 1 1 7 7 THR H H 7 7.814 7.814 8.351 -0.537 19568 4525 1 18 . 1 1 8 8 ASP N N 8 121.151 121.151 120.280 0.871 19568 4526 1 18 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.377 0.069 19568 4527 1 18 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.679 -0.662 19568 4528 1 18 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.306 0.389 19568 4529 1 18 . 1 1 8 8 ASP H H 8 8.006 8.006 7.760 0.246 19568 4530 1 18 . 1 1 9 9 TYR N N 9 117.806 117.806 118.168 -0.362 19568 4531 1 18 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.311 0.030 19568 4532 1 18 . 1 1 9 9 TYR C C 9 176.025 176.025 177.215 -1.190 19568 4533 1 18 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.570 -1.045 19568 4534 1 18 . 1 1 9 9 TYR CB C 9 39.333 39.333 39.247 0.086 19568 4535 1 18 . 1 1 9 9 TYR H H 9 7.726 7.726 7.238 0.488 19568 4536 1 18 . 1 1 10 10 LEU N N 10 116.985 116.985 120.539 -3.554 19568 4537 1 18 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.386 -0.109 19568 4538 1 18 . 1 1 10 10 LEU C C 10 175.391 175.391 175.225 0.166 19568 4539 1 18 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.695 -0.002 19568 4540 1 18 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.177 1.832 19568 4541 1 18 . 1 1 10 10 LEU H H 10 7.514 7.514 7.387 0.127 19568 4542 1 18 . 1 1 11 11 ASP N N 11 120.049 120.049 121.297 -1.248 19568 4543 1 18 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.821 -0.305 19568 4544 1 18 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.214 0.663 19568 4545 1 18 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.448 -2.838 19568 4546 1 18 . 1 1 11 11 ASP H H 11 7.978 7.978 7.538 0.440 19568 4547 1 18 . 1 1 12 12 VAL N N 12 118.837 118.837 121.359 -2.522 19568 4548 1 18 . 1 1 12 12 VAL CA C 12 59.819 59.819 58.868 0.951 19568 4549 1 18 . 1 1 12 12 VAL H H 12 7.780 7.780 8.012 -0.232 19568 4550 1 18 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.637 -0.557 19568 4551 1 18 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.608 0.765 19568 4552 1 18 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.667 -0.702 19568 4553 1 18 . 1 1 14 14 SER N N 14 117.102 117.102 118.849 -1.747 19568 4554 1 18 . 1 1 14 14 SER HA H 14 4.080 4.080 4.037 0.043 19568 4555 1 18 . 1 1 14 14 SER CA C 14 61.149 61.149 60.603 0.546 19568 4556 1 18 . 1 1 14 14 SER H H 14 8.631 8.631 8.588 0.043 19568 4557 1 18 . 1 1 15 15 ASN N N 15 118.240 118.240 120.860 -2.620 19568 4558 1 18 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.487 0.017 19568 4559 1 18 . 1 1 15 15 ASN C C 15 176.447 176.447 176.893 -0.446 19568 4560 1 18 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.680 -0.271 19568 4561 1 18 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.332 -0.874 19568 4562 1 18 . 1 1 15 15 ASN H H 15 8.500 8.500 8.307 0.193 19568 4563 1 18 . 1 1 16 16 ILE N N 16 118.674 118.674 118.749 -0.075 19568 4564 1 18 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.878 0.107 19568 4565 1 18 . 1 1 16 16 ILE C C 16 176.784 176.784 176.837 -0.053 19568 4566 1 18 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.554 -1.216 19568 4567 1 18 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.713 -0.068 19568 4568 1 18 . 1 1 16 16 ILE H H 16 7.499 7.499 8.203 -0.704 19568 4569 1 18 . 1 1 17 17 ALA N N 17 123.146 123.146 122.757 0.389 19568 4570 1 18 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.114 -0.208 19568 4571 1 18 . 1 1 17 17 ALA C C 17 178.295 178.295 179.138 -0.843 19568 4572 1 18 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.941 0.326 19568 4573 1 18 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.371 0.167 19568 4574 1 18 . 1 1 17 17 ALA H H 17 8.154 8.154 8.203 -0.049 19568 4575 1 18 . 1 1 18 18 LYS N N 18 113.996 113.996 119.038 -5.042 19568 4576 1 18 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.215 -0.266 19568 4577 1 18 . 1 1 18 18 LYS C C 18 177.195 177.195 178.174 -0.979 19568 4578 1 18 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.602 0.805 19568 4579 1 18 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.937 -0.150 19568 4580 1 18 . 1 1 18 18 LYS H H 18 7.867 7.867 7.521 0.346 19568 4581 1 18 . 1 1 19 19 ILE N N 19 115.051 115.051 118.702 -3.651 19568 4582 1 18 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.871 0.179 19568 4583 1 18 . 1 1 19 19 ILE C C 19 175.727 175.727 177.392 -1.665 19568 4584 1 18 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.231 -1.319 19568 4585 1 18 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.447 0.265 19568 4586 1 18 . 1 1 19 19 ILE H H 19 7.395 7.395 7.667 -0.272 19568 4587 1 18 . 1 1 20 20 ILE N N 20 113.857 113.857 119.750 -5.893 19568 4588 1 18 . 1 1 20 20 ILE CA C 20 62.423 62.423 62.891 -0.468 19568 4589 1 18 . 1 1 20 20 ILE CB C 20 38.872 38.872 39.239 -0.366 19568 4590 1 18 . 1 1 20 20 ILE H H 20 7.468 7.468 7.431 0.037 19568 4591 1 18 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.130 -0.267 19568 4592 1 18 . 1 1 21 21 ILE C C 21 176.210 176.210 177.291 -1.081 19568 4593 1 18 . 1 1 21 21 ILE CA C 21 64.096 64.096 61.880 2.216 19568 4594 1 18 . 1 1 22 22 GLY N N 22 106.975 106.975 109.520 -2.545 19568 4595 1 18 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.488 -0.249 19568 4596 1 18 . 1 1 22 22 GLY H H 22 8.473 8.473 8.020 0.453 19568 4597 1 18 . 1 1 23 23 PRO C C 23 177.086 177.086 178.303 -1.217 19568 4598 1 18 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.455 0.422 19568 4599 1 18 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.405 0.657 19568 4600 1 18 . 1 1 24 24 LEU N N 24 115.805 115.805 118.474 -2.669 19568 4601 1 18 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.219 -0.132 19568 4602 1 18 . 1 1 24 24 LEU C C 24 178.191 178.191 178.768 -0.577 19568 4603 1 18 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.831 0.651 19568 4604 1 18 . 1 1 24 24 LEU CB C 24 41.967 41.967 41.974 -0.007 19568 4605 1 18 . 1 1 24 24 LEU H H 24 7.855 7.855 7.837 0.018 19568 4606 1 18 . 1 1 25 25 ILE N N 25 118.715 118.715 120.608 -1.893 19568 4607 1 18 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.590 0.133 19568 4608 1 18 . 1 1 25 25 ILE C C 25 177.615 177.615 177.898 -0.283 19568 4609 1 18 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.487 -0.097 19568 4610 1 18 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.710 -0.642 19568 4611 1 18 . 1 1 25 25 ILE H H 25 8.373 8.373 8.480 -0.107 19568 4612 1 18 . 1 1 26 26 PHE N N 26 118.782 118.782 120.363 -1.581 19568 4613 1 18 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.250 -0.268 19568 4614 1 18 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.436 0.067 19568 4615 1 18 . 1 1 26 26 PHE CB C 26 39.069 39.069 39.137 -0.068 19568 4616 1 18 . 1 1 26 26 PHE H H 26 8.191 8.191 7.893 0.298 19568 4617 1 18 . 1 1 27 27 VAL N N 27 118.263 118.263 120.076 -1.813 19568 4618 1 18 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.633 -0.171 19568 4619 1 18 . 1 1 27 27 VAL C C 27 178.431 178.431 177.781 0.650 19568 4620 1 18 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.904 0.336 19568 4621 1 18 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.756 -0.650 19568 4622 1 18 . 1 1 27 27 VAL H H 27 8.530 8.530 8.132 0.398 19568 4623 1 18 . 1 1 28 28 PHE N N 28 122.020 122.020 120.508 1.512 19568 4624 1 18 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.229 -0.064 19568 4625 1 18 . 1 1 28 28 PHE C C 28 176.323 176.323 177.466 -1.143 19568 4626 1 18 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.565 -0.827 19568 4627 1 18 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.308 -0.126 19568 4628 1 18 . 1 1 28 28 PHE H H 28 8.572 8.572 8.291 0.281 19568 4629 1 18 . 1 1 29 29 LEU N N 29 118.508 118.508 119.941 -1.433 19568 4630 1 18 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.886 -0.174 19568 4631 1 18 . 1 1 29 29 LEU C C 29 178.103 178.103 178.555 -0.452 19568 4632 1 18 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.993 0.178 19568 4633 1 18 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.859 0.136 19568 4634 1 18 . 1 1 29 29 LEU H H 29 8.631 8.631 8.659 -0.028 19568 4635 1 18 . 1 1 30 30 PHE N N 30 117.713 117.713 119.316 -1.603 19568 4636 1 18 . 1 1 30 30 PHE HA H 30 3.859 3.859 3.900 -0.041 19568 4637 1 18 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.799 -0.145 19568 4638 1 18 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.674 0.181 19568 4639 1 18 . 1 1 30 30 PHE H H 30 8.701 8.701 8.280 0.421 19568 4640 1 18 . 1 1 31 31 SER N N 31 115.131 115.131 115.262 -0.131 19568 4641 1 18 . 1 1 31 31 SER HA H 31 3.933 3.933 4.142 -0.209 19568 4642 1 18 . 1 1 31 31 SER C C 31 175.646 175.646 176.916 -1.270 19568 4643 1 18 . 1 1 31 31 SER CA C 31 63.631 63.631 61.446 2.185 19568 4644 1 18 . 1 1 31 31 SER CB C 31 62.767 62.767 62.584 0.183 19568 4645 1 18 . 1 1 31 31 SER H H 31 8.137 8.137 8.029 0.108 19568 4646 1 18 . 1 1 32 32 VAL N N 32 120.892 120.892 122.090 -1.198 19568 4647 1 18 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.601 -0.140 19568 4648 1 18 . 1 1 32 32 VAL C C 32 178.552 178.552 177.784 0.768 19568 4649 1 18 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.452 -0.055 19568 4650 1 18 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.320 0.032 19568 4651 1 18 . 1 1 32 32 VAL H H 32 7.820 7.820 7.952 -0.132 19568 4652 1 18 . 1 1 33 33 VAL N N 33 121.892 121.892 120.948 0.944 19568 4653 1 18 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.567 -0.164 19568 4654 1 18 . 1 1 33 33 VAL C C 33 177.129 177.129 178.039 -0.910 19568 4655 1 18 . 1 1 33 33 VAL CA C 33 67.702 67.702 67.028 0.674 19568 4656 1 18 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.374 0.031 19568 4657 1 18 . 1 1 33 33 VAL H H 33 8.061 8.061 7.975 0.086 19568 4658 1 18 . 1 1 34 34 ILE N N 34 117.742 117.742 118.777 -1.035 19568 4659 1 18 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.675 -0.109 19568 4660 1 18 . 1 1 34 34 ILE C C 34 178.041 178.041 177.646 0.395 19568 4661 1 18 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.603 0.737 19568 4662 1 18 . 1 1 34 34 ILE CB C 34 36.429 36.429 37.302 -0.873 19568 4663 1 18 . 1 1 34 34 ILE H H 34 8.285 8.285 7.689 0.596 19568 4664 1 18 . 1 1 35 35 GLY N N 35 107.221 107.221 108.860 -1.639 19568 4665 1 18 . 1 1 35 35 GLY C C 35 174.842 174.842 176.138 -1.296 19568 4666 1 18 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.044 0.652 19568 4667 1 18 . 1 1 35 35 GLY H H 35 8.676 8.676 7.662 1.014 19568 4668 1 18 . 1 1 36 36 SER N N 36 117.895 117.895 117.022 0.873 19568 4669 1 18 . 1 1 36 36 SER HA H 36 4.080 4.080 4.255 -0.175 19568 4670 1 18 . 1 1 36 36 SER C C 36 175.749 175.749 176.580 -0.831 19568 4671 1 18 . 1 1 36 36 SER CA C 36 63.895 63.895 60.715 3.180 19568 4672 1 18 . 1 1 36 36 SER CB C 36 63.038 63.038 62.868 0.170 19568 4673 1 18 . 1 1 36 36 SER H H 36 8.185 8.185 7.985 0.200 19568 4674 1 18 . 1 1 37 37 ILE N N 37 122.412 122.412 121.335 1.077 19568 4675 1 18 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.596 0.054 19568 4676 1 18 . 1 1 37 37 ILE C C 37 177.436 177.436 177.555 -0.119 19568 4677 1 18 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.269 1.810 19568 4678 1 18 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.086 -0.139 19568 4679 1 18 . 1 1 37 37 ILE H H 37 7.971 7.971 7.583 0.388 19568 4680 1 18 . 1 1 38 38 TYR N N 38 119.517 119.517 120.236 -0.719 19568 4681 1 18 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.092 0.075 19568 4682 1 18 . 1 1 38 38 TYR C C 38 176.818 176.818 177.585 -0.767 19568 4683 1 18 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.038 0.414 19568 4684 1 18 . 1 1 38 38 TYR CB C 38 38.266 38.266 37.931 0.335 19568 4685 1 18 . 1 1 38 38 TYR H H 38 8.450 8.450 7.902 0.548 19568 4686 1 18 . 1 1 39 39 LEU N N 39 117.459 117.459 119.073 -1.614 19568 4687 1 18 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.938 -0.241 19568 4688 1 18 . 1 1 39 39 LEU C C 39 178.873 178.873 178.627 0.246 19568 4689 1 18 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.509 -0.579 19568 4690 1 18 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.727 0.434 19568 4691 1 18 . 1 1 39 39 LEU H H 39 8.369 8.369 7.623 0.746 19568 4692 1 18 . 1 1 40 40 PHE N N 40 118.068 118.068 116.062 2.006 19568 4693 1 18 . 1 1 40 40 PHE C C 40 177.002 177.002 178.553 -1.551 19568 4694 1 18 . 1 1 40 40 PHE CA C 40 61.209 61.209 60.084 1.125 19568 4695 1 18 . 1 1 40 40 PHE CB C 40 35.567 35.567 38.361 -2.794 19568 4696 1 18 . 1 1 40 40 PHE H H 40 8.317 8.317 7.940 0.377 19568 4697 1 18 . 1 1 41 41 LEU N N 41 117.738 117.738 119.675 -1.937 19568 4698 1 18 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.187 -0.206 19568 4699 1 18 . 1 1 41 41 LEU C C 41 177.917 177.917 178.376 -0.459 19568 4700 1 18 . 1 1 41 41 LEU CA C 41 56.741 56.741 55.679 1.062 19568 4701 1 18 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.538 0.817 19568 4702 1 18 . 1 1 41 41 LEU H H 41 8.309 8.309 7.213 1.096 19568 4703 1 18 . 1 1 42 42 ARG N N 42 118.199 118.199 118.926 -0.727 19568 4704 1 18 . 1 1 42 42 ARG HA H 42 4.011 4.011 3.898 0.113 19568 4705 1 18 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.965 -0.869 19568 4706 1 18 . 1 1 42 42 ARG CB C 42 29.875 29.875 29.844 0.031 19568 4707 1 18 . 1 1 42 42 ARG H H 42 7.957 7.957 7.965 -0.008 19568 4708 1 18 . 1 1 43 43 LYS N N 43 119.027 119.027 117.380 1.647 19568 4709 1 18 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.243 -0.069 19568 4710 1 18 . 1 1 43 43 LYS C C 43 176.558 176.558 176.570 -0.012 19568 4711 1 18 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.762 0.668 19568 4712 1 18 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.520 0.056 19568 4713 1 18 . 1 1 43 43 LYS H H 43 7.799 7.799 7.407 0.392 19568 4714 1 18 . 1 1 44 44 ARG N N 44 120.558 120.558 121.476 -0.918 19568 4715 1 18 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.124 0.048 19568 4716 1 18 . 1 1 44 44 ARG C C 44 175.813 175.813 175.547 0.266 19568 4717 1 18 . 1 1 44 44 ARG CA C 44 56.216 56.216 57.080 -0.864 19568 4718 1 18 . 1 1 44 44 ARG CB C 44 30.658 30.658 30.261 0.397 19568 4719 1 18 . 1 1 44 44 ARG H H 44 7.727 7.727 7.623 0.104 19568 4720 1 18 . 1 1 45 45 GLN N N 45 122.179 122.179 123.800 -1.621 19568 4721 1 18 . 1 1 45 45 GLN C C 45 173.795 173.795 174.525 -0.730 19568 4722 1 18 . 1 1 45 45 GLN CA C 45 53.615 53.615 52.877 0.738 19568 4723 1 18 . 1 1 45 45 GLN CB C 45 29.002 29.002 29.873 -0.871 19568 4724 1 18 . 1 1 45 45 GLN H H 45 8.141 8.141 8.262 -0.121 19568 4725 1 18 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.456 -0.074 19568 4726 1 18 . 1 1 46 46 PRO C C 46 176.477 176.477 176.334 0.143 19568 4727 1 18 . 1 1 46 46 PRO CA C 46 63.247 63.247 62.868 0.379 19568 4728 1 18 . 1 1 46 46 PRO CB C 46 32.072 32.072 30.160 1.912 19568 4729 1 18 . 1 1 47 47 ASP N N 47 120.424 120.424 123.687 -3.263 19568 4730 1 18 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.487 0.099 19568 4731 1 18 . 1 1 47 47 ASP C C 47 176.316 176.316 176.743 -0.427 19568 4732 1 18 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.376 0.980 19568 4733 1 18 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.759 1.788 19568 4734 1 18 . 1 1 47 47 ASP H H 47 8.333 8.333 8.288 0.045 19568 4735 1 18 . 1 1 48 48 GLY N N 48 108.892 108.892 108.891 0.001 19568 4736 1 18 . 1 1 48 48 GLY C C 48 171.778 171.778 173.336 -1.558 19568 4737 1 18 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.255 0.375 19568 4738 1 18 . 1 1 48 48 GLY H H 48 8.063 8.063 7.959 0.104 19568 4739 1 18 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.234 0.137 19568 4740 1 18 . 1 1 49 49 PRO C C 49 177.077 177.077 176.382 0.695 19568 4741 1 18 . 1 1 49 49 PRO CA C 49 63.235 63.235 64.008 -0.773 19568 4742 1 18 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.678 0.470 19568 4743 1 18 . 1 1 50 50 LEU N N 50 121.757 121.757 125.510 -3.753 19568 4744 1 18 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.471 -0.226 19568 4745 1 18 . 1 1 50 50 LEU C C 50 177.320 177.320 176.913 0.407 19568 4746 1 18 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.470 0.794 19568 4747 1 18 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.758 0.491 19568 4748 1 18 . 1 1 50 50 LEU H H 50 8.263 8.263 8.278 -0.015 19568 4749 1 18 . 1 1 51 51 GLU N N 51 121.007 121.007 118.221 2.786 19568 4750 1 18 . 1 1 51 51 GLU CA C 51 56.531 56.531 56.690 -0.159 19568 4751 1 18 . 1 1 51 51 GLU CB C 51 30.370 30.370 30.301 0.069 19568 4752 1 18 . 1 1 51 51 GLU H H 51 8.166 8.166 7.943 0.223 19568 4753 1 19 . 1 1 2 2 THR N N 2 113.734 113.734 118.868 -5.134 19568 4754 1 19 . 1 1 2 2 THR HA H 2 4.076 4.076 4.317 -0.241 19568 4755 1 19 . 1 1 2 2 THR C C 2 174.729 174.729 175.673 -0.944 19568 4756 1 19 . 1 1 2 2 THR CA C 2 63.234 63.234 64.051 -0.817 19568 4757 1 19 . 1 1 2 2 THR CB C 2 69.247 69.247 68.957 0.290 19568 4758 1 19 . 1 1 2 2 THR H H 2 8.100 8.100 8.031 0.069 19568 4759 1 19 . 1 1 3 3 TYR N N 3 119.785 119.785 119.708 0.077 19568 4760 1 19 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.217 0.022 19568 4761 1 19 . 1 1 3 3 TYR C C 3 175.468 175.468 177.293 -1.825 19568 4762 1 19 . 1 1 3 3 TYR CA C 3 59.361 59.361 59.208 0.153 19568 4763 1 19 . 1 1 3 3 TYR CB C 3 38.536 38.536 36.908 1.628 19568 4764 1 19 . 1 1 3 3 TYR H H 3 7.911 7.911 7.784 0.127 19568 4765 1 19 . 1 1 4 4 PHE N N 4 117.223 117.223 119.964 -2.741 19568 4766 1 19 . 1 1 4 4 PHE HA H 4 4.440 4.440 3.981 0.459 19568 4767 1 19 . 1 1 4 4 PHE C C 4 174.872 174.872 177.117 -2.245 19568 4768 1 19 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.262 -2.669 19568 4769 1 19 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.774 0.446 19568 4770 1 19 . 1 1 4 4 PHE H H 4 7.634 7.634 7.750 -0.116 19568 4771 1 19 . 1 1 5 5 TYR N N 5 118.715 118.715 118.201 0.514 19568 4772 1 19 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.143 0.396 19568 4773 1 19 . 1 1 5 5 TYR C C 5 176.539 176.539 177.751 -1.212 19568 4774 1 19 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.289 -2.521 19568 4775 1 19 . 1 1 5 5 TYR CB C 5 38.267 38.267 39.163 -0.896 19568 4776 1 19 . 1 1 5 5 TYR H H 5 7.877 7.877 8.687 -0.810 19568 4777 1 19 . 1 1 6 6 VAL N N 6 118.275 118.275 114.997 3.278 19568 4778 1 19 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.890 0.044 19568 4779 1 19 . 1 1 6 6 VAL C C 6 176.487 176.487 176.881 -0.394 19568 4780 1 19 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.162 -0.700 19568 4781 1 19 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.483 0.500 19568 4782 1 19 . 1 1 6 6 VAL H H 6 7.930 7.930 8.129 -0.199 19568 4783 1 19 . 1 1 7 7 THR N N 7 111.175 111.175 117.366 -6.191 19568 4784 1 19 . 1 1 7 7 THR HA H 7 4.212 4.212 4.403 -0.191 19568 4785 1 19 . 1 1 7 7 THR C C 7 175.536 175.536 176.179 -0.643 19568 4786 1 19 . 1 1 7 7 THR CA C 7 64.289 64.289 65.632 -1.343 19568 4787 1 19 . 1 1 7 7 THR CB C 7 68.479 68.479 69.061 -0.582 19568 4788 1 19 . 1 1 7 7 THR H H 7 7.814 7.814 8.411 -0.597 19568 4789 1 19 . 1 1 8 8 ASP N N 8 121.151 121.151 122.976 -1.825 19568 4790 1 19 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.277 0.169 19568 4791 1 19 . 1 1 8 8 ASP CA C 8 56.017 56.017 57.102 -1.085 19568 4792 1 19 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.052 0.643 19568 4793 1 19 . 1 1 8 8 ASP H H 8 8.006 8.006 7.875 0.131 19568 4794 1 19 . 1 1 9 9 TYR N N 9 117.806 117.806 119.836 -2.030 19568 4795 1 19 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.377 -0.036 19568 4796 1 19 . 1 1 9 9 TYR C C 9 176.025 176.025 175.771 0.254 19568 4797 1 19 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.156 -0.631 19568 4798 1 19 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.910 0.423 19568 4799 1 19 . 1 1 9 9 TYR H H 9 7.726 7.726 7.669 0.057 19568 4800 1 19 . 1 1 10 10 LEU N N 10 116.985 116.985 119.471 -2.486 19568 4801 1 19 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.476 -0.199 19568 4802 1 19 . 1 1 10 10 LEU C C 10 175.391 175.391 175.044 0.347 19568 4803 1 19 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.365 0.328 19568 4804 1 19 . 1 1 10 10 LEU CB C 10 43.009 43.009 43.786 -0.777 19568 4805 1 19 . 1 1 10 10 LEU H H 10 7.514 7.514 7.839 -0.325 19568 4806 1 19 . 1 1 11 11 ASP N N 11 120.049 120.049 121.079 -1.030 19568 4807 1 19 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.813 -0.297 19568 4808 1 19 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.453 0.424 19568 4809 1 19 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.440 -2.830 19568 4810 1 19 . 1 1 11 11 ASP H H 11 7.978 7.978 7.358 0.620 19568 4811 1 19 . 1 1 12 12 VAL N N 12 118.837 118.837 120.183 -1.346 19568 4812 1 19 . 1 1 12 12 VAL CA C 12 59.819 59.819 58.955 0.865 19568 4813 1 19 . 1 1 12 12 VAL H H 12 7.780 7.780 8.093 -0.313 19568 4814 1 19 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.656 -0.576 19568 4815 1 19 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.448 0.925 19568 4816 1 19 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.997 -1.032 19568 4817 1 19 . 1 1 14 14 SER N N 14 117.102 117.102 118.861 -1.759 19568 4818 1 19 . 1 1 14 14 SER HA H 14 4.080 4.080 4.146 -0.066 19568 4819 1 19 . 1 1 14 14 SER CA C 14 61.149 61.149 60.675 0.474 19568 4820 1 19 . 1 1 14 14 SER H H 14 8.631 8.631 8.915 -0.284 19568 4821 1 19 . 1 1 15 15 ASN N N 15 118.240 118.240 120.602 -2.362 19568 4822 1 19 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.479 0.025 19568 4823 1 19 . 1 1 15 15 ASN C C 15 176.447 176.447 177.266 -0.819 19568 4824 1 19 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.790 -0.381 19568 4825 1 19 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.151 -0.693 19568 4826 1 19 . 1 1 15 15 ASN H H 15 8.500 8.500 8.379 0.121 19568 4827 1 19 . 1 1 16 16 ILE N N 16 118.674 118.674 119.169 -0.495 19568 4828 1 19 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.914 0.071 19568 4829 1 19 . 1 1 16 16 ILE C C 16 176.784 176.784 176.900 -0.116 19568 4830 1 19 . 1 1 16 16 ILE CA C 16 62.338 62.338 62.727 -0.389 19568 4831 1 19 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.652 -0.007 19568 4832 1 19 . 1 1 16 16 ILE H H 16 7.499 7.499 7.966 -0.467 19568 4833 1 19 . 1 1 17 17 ALA N N 17 123.146 123.146 122.494 0.652 19568 4834 1 19 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.104 -0.198 19568 4835 1 19 . 1 1 17 17 ALA C C 17 178.295 178.295 179.165 -0.870 19568 4836 1 19 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.974 0.293 19568 4837 1 19 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.468 0.070 19568 4838 1 19 . 1 1 17 17 ALA H H 17 8.154 8.154 8.089 0.065 19568 4839 1 19 . 1 1 18 18 LYS N N 18 113.996 113.996 118.990 -4.994 19568 4840 1 19 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.231 -0.282 19568 4841 1 19 . 1 1 18 18 LYS C C 18 177.195 177.195 178.737 -1.542 19568 4842 1 19 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.572 0.835 19568 4843 1 19 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.956 -0.170 19568 4844 1 19 . 1 1 18 18 LYS H H 18 7.867 7.867 7.481 0.386 19568 4845 1 19 . 1 1 19 19 ILE N N 19 115.051 115.051 120.208 -5.157 19568 4846 1 19 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.863 0.187 19568 4847 1 19 . 1 1 19 19 ILE C C 19 175.727 175.727 177.259 -1.532 19568 4848 1 19 . 1 1 19 19 ILE CA C 19 62.912 62.912 64.420 -1.508 19568 4849 1 19 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.417 0.295 19568 4850 1 19 . 1 1 19 19 ILE H H 19 7.395 7.395 8.015 -0.620 19568 4851 1 19 . 1 1 20 20 ILE N N 20 113.857 113.857 119.299 -5.442 19568 4852 1 19 . 1 1 20 20 ILE CA C 20 62.423 62.423 62.654 -0.231 19568 4853 1 19 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.885 -0.013 19568 4854 1 19 . 1 1 20 20 ILE H H 20 7.468 7.468 7.389 0.079 19568 4855 1 19 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.042 -0.179 19568 4856 1 19 . 1 1 21 21 ILE C C 21 176.210 176.210 177.587 -1.377 19568 4857 1 19 . 1 1 21 21 ILE CA C 21 64.096 64.096 63.953 0.143 19568 4858 1 19 . 1 1 22 22 GLY N N 22 106.975 106.975 108.932 -1.957 19568 4859 1 19 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.663 -0.425 19568 4860 1 19 . 1 1 22 22 GLY H H 22 8.473 8.473 8.386 0.087 19568 4861 1 19 . 1 1 23 23 PRO C C 23 177.086 177.086 178.060 -0.974 19568 4862 1 19 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.400 0.477 19568 4863 1 19 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.443 0.619 19568 4864 1 19 . 1 1 24 24 LEU N N 24 115.805 115.805 118.623 -2.818 19568 4865 1 19 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.273 -0.186 19568 4866 1 19 . 1 1 24 24 LEU C C 24 178.191 178.191 178.355 -0.164 19568 4867 1 19 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.415 1.067 19568 4868 1 19 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.278 -0.311 19568 4869 1 19 . 1 1 24 24 LEU H H 24 7.855 7.855 7.623 0.232 19568 4870 1 19 . 1 1 25 25 ILE N N 25 118.715 118.715 120.849 -2.134 19568 4871 1 19 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.624 0.099 19568 4872 1 19 . 1 1 25 25 ILE C C 25 177.615 177.615 177.809 -0.194 19568 4873 1 19 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.560 -0.170 19568 4874 1 19 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.806 -0.738 19568 4875 1 19 . 1 1 25 25 ILE H H 25 8.373 8.373 8.569 -0.196 19568 4876 1 19 . 1 1 26 26 PHE N N 26 118.782 118.782 120.275 -1.493 19568 4877 1 19 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.196 -0.214 19568 4878 1 19 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.118 0.385 19568 4879 1 19 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.768 0.301 19568 4880 1 19 . 1 1 26 26 PHE H H 26 8.191 8.191 7.924 0.267 19568 4881 1 19 . 1 1 27 27 VAL N N 27 118.263 118.263 119.907 -1.644 19568 4882 1 19 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.299 0.163 19568 4883 1 19 . 1 1 27 27 VAL C C 27 178.431 178.431 177.449 0.982 19568 4884 1 19 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.344 0.896 19568 4885 1 19 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.445 -0.339 19568 4886 1 19 . 1 1 27 27 VAL H H 27 8.530 8.530 7.779 0.751 19568 4887 1 19 . 1 1 28 28 PHE N N 28 122.020 122.020 120.810 1.210 19568 4888 1 19 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.187 -0.022 19568 4889 1 19 . 1 1 28 28 PHE C C 28 176.323 176.323 177.315 -0.992 19568 4890 1 19 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.383 -0.645 19568 4891 1 19 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.337 -0.155 19568 4892 1 19 . 1 1 28 28 PHE H H 28 8.572 8.572 8.434 0.138 19568 4893 1 19 . 1 1 29 29 LEU N N 29 118.508 118.508 119.957 -1.449 19568 4894 1 19 . 1 1 29 29 LEU HA H 29 3.712 3.712 4.072 -0.360 19568 4895 1 19 . 1 1 29 29 LEU C C 29 178.103 178.103 178.563 -0.460 19568 4896 1 19 . 1 1 29 29 LEU CA C 29 58.171 58.171 58.062 0.109 19568 4897 1 19 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.926 0.069 19568 4898 1 19 . 1 1 29 29 LEU H H 29 8.631 8.631 8.266 0.365 19568 4899 1 19 . 1 1 30 30 PHE N N 30 117.713 117.713 118.782 -1.069 19568 4900 1 19 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.183 -0.324 19568 4901 1 19 . 1 1 30 30 PHE CA C 30 61.654 61.654 60.293 1.361 19568 4902 1 19 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.147 0.708 19568 4903 1 19 . 1 1 30 30 PHE H H 30 8.701 8.701 8.014 0.687 19568 4904 1 19 . 1 1 31 31 SER N N 31 115.131 115.131 115.803 -0.672 19568 4905 1 19 . 1 1 31 31 SER HA H 31 3.933 3.933 4.129 -0.196 19568 4906 1 19 . 1 1 31 31 SER C C 31 175.646 175.646 176.943 -1.297 19568 4907 1 19 . 1 1 31 31 SER CA C 31 63.631 63.631 61.661 1.970 19568 4908 1 19 . 1 1 31 31 SER CB C 31 62.767 62.767 62.580 0.188 19568 4909 1 19 . 1 1 31 31 SER H H 31 8.137 8.137 8.323 -0.186 19568 4910 1 19 . 1 1 32 32 VAL N N 32 120.892 120.892 121.414 -0.522 19568 4911 1 19 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.544 -0.083 19568 4912 1 19 . 1 1 32 32 VAL C C 32 178.552 178.552 177.401 1.151 19568 4913 1 19 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.115 0.282 19568 4914 1 19 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.718 -0.366 19568 4915 1 19 . 1 1 32 32 VAL H H 32 7.820 7.820 7.528 0.292 19568 4916 1 19 . 1 1 33 33 VAL N N 33 121.892 121.892 119.673 2.219 19568 4917 1 19 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.605 -0.202 19568 4918 1 19 . 1 1 33 33 VAL C C 33 177.129 177.129 178.364 -1.235 19568 4919 1 19 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.909 0.793 19568 4920 1 19 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.505 -0.100 19568 4921 1 19 . 1 1 33 33 VAL H H 33 8.061 8.061 7.524 0.537 19568 4922 1 19 . 1 1 34 34 ILE N N 34 117.742 117.742 115.099 2.643 19568 4923 1 19 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.877 -0.311 19568 4924 1 19 . 1 1 34 34 ILE C C 34 178.041 178.041 177.901 0.140 19568 4925 1 19 . 1 1 34 34 ILE CA C 34 64.340 64.340 64.151 0.189 19568 4926 1 19 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.697 -0.268 19568 4927 1 19 . 1 1 34 34 ILE H H 34 8.285 8.285 7.857 0.428 19568 4928 1 19 . 1 1 35 35 GLY N N 35 107.221 107.221 109.973 -2.752 19568 4929 1 19 . 1 1 35 35 GLY C C 35 174.842 174.842 176.043 -1.201 19568 4930 1 19 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.275 0.421 19568 4931 1 19 . 1 1 35 35 GLY H H 35 8.676 8.676 7.830 0.846 19568 4932 1 19 . 1 1 36 36 SER N N 36 117.895 117.895 117.906 -0.011 19568 4933 1 19 . 1 1 36 36 SER HA H 36 4.080 4.080 4.255 -0.175 19568 4934 1 19 . 1 1 36 36 SER C C 36 175.749 175.749 176.789 -1.040 19568 4935 1 19 . 1 1 36 36 SER CA C 36 63.895 63.895 61.375 2.520 19568 4936 1 19 . 1 1 36 36 SER CB C 36 63.038 63.038 62.713 0.325 19568 4937 1 19 . 1 1 36 36 SER H H 36 8.185 8.185 8.057 0.128 19568 4938 1 19 . 1 1 37 37 ILE N N 37 122.412 122.412 122.420 -0.008 19568 4939 1 19 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.864 -0.214 19568 4940 1 19 . 1 1 37 37 ILE C C 37 177.436 177.436 177.080 0.356 19568 4941 1 19 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.558 1.521 19568 4942 1 19 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.048 -0.101 19568 4943 1 19 . 1 1 37 37 ILE H H 37 7.971 7.971 7.674 0.297 19568 4944 1 19 . 1 1 38 38 TYR N N 38 119.517 119.517 121.358 -1.841 19568 4945 1 19 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.035 0.132 19568 4946 1 19 . 1 1 38 38 TYR C C 38 176.818 176.818 177.467 -0.649 19568 4947 1 19 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.116 0.336 19568 4948 1 19 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.312 -0.046 19568 4949 1 19 . 1 1 38 38 TYR H H 38 8.450 8.450 7.812 0.638 19568 4950 1 19 . 1 1 39 39 LEU N N 39 117.459 117.459 117.798 -0.339 19568 4951 1 19 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.813 -0.116 19568 4952 1 19 . 1 1 39 39 LEU C C 39 178.873 178.873 178.490 0.383 19568 4953 1 19 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.402 -0.472 19568 4954 1 19 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.537 0.624 19568 4955 1 19 . 1 1 39 39 LEU H H 39 8.369 8.369 7.796 0.573 19568 4956 1 19 . 1 1 40 40 PHE N N 40 118.068 118.068 117.268 0.800 19568 4957 1 19 . 1 1 40 40 PHE C C 40 177.002 177.002 178.098 -1.096 19568 4958 1 19 . 1 1 40 40 PHE CA C 40 61.209 61.209 60.230 0.979 19568 4959 1 19 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.063 -3.496 19568 4960 1 19 . 1 1 40 40 PHE H H 40 8.317 8.317 7.460 0.857 19568 4961 1 19 . 1 1 41 41 LEU N N 41 117.738 117.738 121.265 -3.527 19568 4962 1 19 . 1 1 41 41 LEU HA H 41 3.981 3.981 3.958 0.023 19568 4963 1 19 . 1 1 41 41 LEU C C 41 177.917 177.917 177.522 0.395 19568 4964 1 19 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.909 -0.168 19568 4965 1 19 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.802 0.553 19568 4966 1 19 . 1 1 41 41 LEU H H 41 8.309 8.309 7.915 0.394 19568 4967 1 19 . 1 1 42 42 ARG N N 42 118.199 118.199 116.776 1.423 19568 4968 1 19 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.112 -0.101 19568 4969 1 19 . 1 1 42 42 ARG CA C 42 57.096 57.096 56.588 0.508 19568 4970 1 19 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.216 -0.341 19568 4971 1 19 . 1 1 42 42 ARG H H 42 7.957 7.957 7.516 0.441 19568 4972 1 19 . 1 1 43 43 LYS N N 43 119.027 119.027 118.990 0.037 19568 4973 1 19 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.226 -0.052 19568 4974 1 19 . 1 1 43 43 LYS C C 43 176.558 176.558 175.854 0.704 19568 4975 1 19 . 1 1 43 43 LYS CA C 43 56.430 56.430 55.712 0.719 19568 4976 1 19 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.225 0.351 19568 4977 1 19 . 1 1 43 43 LYS H H 43 7.799 7.799 8.035 -0.236 19568 4978 1 19 . 1 1 44 44 ARG N N 44 120.558 120.558 120.343 0.215 19568 4979 1 19 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.120 0.052 19568 4980 1 19 . 1 1 44 44 ARG C C 44 175.813 175.813 176.003 -0.190 19568 4981 1 19 . 1 1 44 44 ARG CA C 44 56.216 56.216 57.648 -1.433 19568 4982 1 19 . 1 1 44 44 ARG CB C 44 30.658 30.658 28.920 1.738 19568 4983 1 19 . 1 1 44 44 ARG H H 44 7.727 7.727 8.126 -0.399 19568 4984 1 19 . 1 1 45 45 GLN N N 45 122.179 122.179 122.221 -0.042 19568 4985 1 19 . 1 1 45 45 GLN C C 45 173.795 173.795 174.281 -0.486 19568 4986 1 19 . 1 1 45 45 GLN CA C 45 53.615 53.615 55.147 -1.532 19568 4987 1 19 . 1 1 45 45 GLN CB C 45 29.002 29.002 29.317 -0.315 19568 4988 1 19 . 1 1 45 45 GLN H H 45 8.141 8.141 8.466 -0.325 19568 4989 1 19 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.436 -0.054 19568 4990 1 19 . 1 1 46 46 PRO C C 46 176.477 176.477 177.631 -1.154 19568 4991 1 19 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.888 -0.641 19568 4992 1 19 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.429 0.643 19568 4993 1 19 . 1 1 47 47 ASP N N 47 120.424 120.424 119.390 1.034 19568 4994 1 19 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.517 0.069 19568 4995 1 19 . 1 1 47 47 ASP C C 47 176.316 176.316 177.007 -0.691 19568 4996 1 19 . 1 1 47 47 ASP CA C 47 54.356 54.356 52.983 1.373 19568 4997 1 19 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.183 3.364 19568 4998 1 19 . 1 1 47 47 ASP H H 47 8.333 8.333 8.425 -0.092 19568 4999 1 19 . 1 1 48 48 GLY N N 48 108.892 108.892 109.022 -0.130 19568 5000 1 19 . 1 1 48 48 GLY C C 48 171.778 171.778 173.610 -1.832 19568 5001 1 19 . 1 1 48 48 GLY CA C 48 44.630 44.630 46.073 -1.443 19568 5002 1 19 . 1 1 48 48 GLY H H 48 8.063 8.063 8.374 -0.311 19568 5003 1 19 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.264 0.107 19568 5004 1 19 . 1 1 49 49 PRO C C 49 177.077 177.077 176.074 1.003 19568 5005 1 19 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.076 0.159 19568 5006 1 19 . 1 1 49 49 PRO CB C 49 32.148 32.148 32.014 0.134 19568 5007 1 19 . 1 1 50 50 LEU N N 50 121.757 121.757 122.619 -0.862 19568 5008 1 19 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.535 -0.290 19568 5009 1 19 . 1 1 50 50 LEU C C 50 177.320 177.320 176.333 0.987 19568 5010 1 19 . 1 1 50 50 LEU CA C 50 55.264 55.264 54.353 0.911 19568 5011 1 19 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.586 0.662 19568 5012 1 19 . 1 1 50 50 LEU H H 50 8.263 8.263 8.354 -0.091 19568 5013 1 19 . 1 1 51 51 GLU N N 51 121.007 121.007 121.004 0.003 19568 5014 1 19 . 1 1 51 51 GLU CA C 51 56.531 56.531 57.754 -1.223 19568 5015 1 19 . 1 1 51 51 GLU CB C 51 30.370 30.370 29.272 1.098 19568 5016 1 19 . 1 1 51 51 GLU H H 51 8.166 8.166 8.693 -0.527 19568 5017 1 20 . 1 1 2 2 THR N N 2 113.734 113.734 114.030 -0.296 19568 5018 1 20 . 1 1 2 2 THR HA H 2 4.076 4.076 4.572 -0.496 19568 5019 1 20 . 1 1 2 2 THR C C 2 174.729 174.729 175.748 -1.019 19568 5020 1 20 . 1 1 2 2 THR CA C 2 63.234 63.234 63.639 -0.405 19568 5021 1 20 . 1 1 2 2 THR CB C 2 69.247 69.247 68.823 0.424 19568 5022 1 20 . 1 1 2 2 THR H H 2 8.100 8.100 8.513 -0.413 19568 5023 1 20 . 1 1 3 3 TYR N N 3 119.785 119.785 122.083 -2.298 19568 5024 1 20 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.225 0.014 19568 5025 1 20 . 1 1 3 3 TYR C C 3 175.468 175.468 177.055 -1.587 19568 5026 1 20 . 1 1 3 3 TYR CA C 3 59.361 59.361 60.719 -1.358 19568 5027 1 20 . 1 1 3 3 TYR CB C 3 38.536 38.536 38.072 0.464 19568 5028 1 20 . 1 1 3 3 TYR H H 3 7.911 7.911 8.535 -0.624 19568 5029 1 20 . 1 1 4 4 PHE N N 4 117.223 117.223 117.379 -0.156 19568 5030 1 20 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.242 0.198 19568 5031 1 20 . 1 1 4 4 PHE C C 4 174.872 174.872 176.949 -2.077 19568 5032 1 20 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.472 -2.879 19568 5033 1 20 . 1 1 4 4 PHE CB C 4 39.220 39.220 39.173 0.047 19568 5034 1 20 . 1 1 4 4 PHE H H 4 7.634 7.634 8.122 -0.488 19568 5035 1 20 . 1 1 5 5 TYR N N 5 118.715 118.715 119.788 -1.073 19568 5036 1 20 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.355 0.184 19568 5037 1 20 . 1 1 5 5 TYR C C 5 176.539 176.539 178.122 -1.583 19568 5038 1 20 . 1 1 5 5 TYR CA C 5 58.768 58.768 62.424 -3.656 19568 5039 1 20 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.735 -0.468 19568 5040 1 20 . 1 1 5 5 TYR H H 5 7.877 7.877 8.118 -0.241 19568 5041 1 20 . 1 1 6 6 VAL N N 6 118.275 118.275 118.242 0.033 19568 5042 1 20 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.694 0.240 19568 5043 1 20 . 1 1 6 6 VAL C C 6 176.487 176.487 177.883 -1.396 19568 5044 1 20 . 1 1 6 6 VAL CA C 6 64.462 64.462 66.667 -2.205 19568 5045 1 20 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.306 0.677 19568 5046 1 20 . 1 1 6 6 VAL H H 6 7.930 7.930 8.634 -0.704 19568 5047 1 20 . 1 1 7 7 THR N N 7 111.175 111.175 115.716 -4.541 19568 5048 1 20 . 1 1 7 7 THR HA H 7 4.212 4.212 4.153 0.059 19568 5049 1 20 . 1 1 7 7 THR C C 7 175.536 175.536 176.505 -0.969 19568 5050 1 20 . 1 1 7 7 THR CA C 7 64.289 64.289 66.076 -1.787 19568 5051 1 20 . 1 1 7 7 THR CB C 7 68.479 68.479 68.313 0.166 19568 5052 1 20 . 1 1 7 7 THR H H 7 7.814 7.814 7.491 0.323 19568 5053 1 20 . 1 1 8 8 ASP N N 8 121.151 121.151 122.081 -0.930 19568 5054 1 20 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.407 0.039 19568 5055 1 20 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.837 -0.821 19568 5056 1 20 . 1 1 8 8 ASP CB C 8 40.695 40.695 39.779 0.916 19568 5057 1 20 . 1 1 8 8 ASP H H 8 8.006 8.006 7.856 0.150 19568 5058 1 20 . 1 1 9 9 TYR N N 9 117.806 117.806 120.154 -2.348 19568 5059 1 20 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.268 0.073 19568 5060 1 20 . 1 1 9 9 TYR C C 9 176.025 176.025 176.745 -0.720 19568 5061 1 20 . 1 1 9 9 TYR CA C 9 59.525 59.525 61.099 -1.574 19568 5062 1 20 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.888 0.445 19568 5063 1 20 . 1 1 9 9 TYR H H 9 7.726 7.726 7.567 0.159 19568 5064 1 20 . 1 1 10 10 LEU N N 10 116.985 116.985 117.894 -0.909 19568 5065 1 20 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.323 -0.046 19568 5066 1 20 . 1 1 10 10 LEU C C 10 175.391 175.391 176.072 -0.681 19568 5067 1 20 . 1 1 10 10 LEU CA C 10 54.693 54.693 55.186 -0.493 19568 5068 1 20 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.449 1.560 19568 5069 1 20 . 1 1 10 10 LEU H H 10 7.514 7.514 7.448 0.066 19568 5070 1 20 . 1 1 11 11 ASP N N 11 120.049 120.049 119.439 0.610 19568 5071 1 20 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.832 -0.316 19568 5072 1 20 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.330 0.547 19568 5073 1 20 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.925 -3.315 19568 5074 1 20 . 1 1 11 11 ASP H H 11 7.978 7.978 7.349 0.629 19568 5075 1 20 . 1 1 12 12 VAL N N 12 118.837 118.837 119.889 -1.052 19568 5076 1 20 . 1 1 12 12 VAL CA C 12 59.819 59.819 60.957 -1.138 19568 5077 1 20 . 1 1 12 12 VAL H H 12 7.780 7.780 8.155 -0.375 19568 5078 1 20 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.575 -0.495 19568 5079 1 20 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.646 0.727 19568 5080 1 20 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.507 -0.542 19568 5081 1 20 . 1 1 14 14 SER N N 14 117.102 117.102 119.803 -2.701 19568 5082 1 20 . 1 1 14 14 SER HA H 14 4.080 4.080 3.941 0.139 19568 5083 1 20 . 1 1 14 14 SER CA C 14 61.149 61.149 61.012 0.137 19568 5084 1 20 . 1 1 14 14 SER H H 14 8.631 8.631 8.793 -0.162 19568 5085 1 20 . 1 1 15 15 ASN N N 15 118.240 118.240 119.896 -1.656 19568 5086 1 20 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.498 0.006 19568 5087 1 20 . 1 1 15 15 ASN C C 15 176.447 176.447 177.292 -0.845 19568 5088 1 20 . 1 1 15 15 ASN CA C 15 55.409 55.409 56.369 -0.960 19568 5089 1 20 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.152 -0.694 19568 5090 1 20 . 1 1 15 15 ASN H H 15 8.500 8.500 8.168 0.332 19568 5091 1 20 . 1 1 16 16 ILE N N 16 118.674 118.674 118.652 0.022 19568 5092 1 20 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.970 0.015 19568 5093 1 20 . 1 1 16 16 ILE C C 16 176.784 176.784 177.310 -0.526 19568 5094 1 20 . 1 1 16 16 ILE CA C 16 62.338 62.338 62.285 0.054 19568 5095 1 20 . 1 1 16 16 ILE CB C 16 37.645 37.645 36.406 1.239 19568 5096 1 20 . 1 1 16 16 ILE H H 16 7.499 7.499 8.708 -1.209 19568 5097 1 20 . 1 1 17 17 ALA N N 17 123.146 123.146 122.596 0.550 19568 5098 1 20 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.118 -0.212 19568 5099 1 20 . 1 1 17 17 ALA C C 17 178.295 178.295 179.445 -1.150 19568 5100 1 20 . 1 1 17 17 ALA CA C 17 55.267 55.267 55.019 0.248 19568 5101 1 20 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.458 0.080 19568 5102 1 20 . 1 1 17 17 ALA H H 17 8.154 8.154 8.061 0.093 19568 5103 1 20 . 1 1 18 18 LYS N N 18 113.996 113.996 118.921 -4.925 19568 5104 1 20 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.265 -0.316 19568 5105 1 20 . 1 1 18 18 LYS C C 18 177.195 177.195 177.827 -0.632 19568 5106 1 20 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.866 0.541 19568 5107 1 20 . 1 1 18 18 LYS CB C 18 32.787 32.787 33.230 -0.443 19568 5108 1 20 . 1 1 18 18 LYS H H 18 7.867 7.867 7.530 0.337 19568 5109 1 20 . 1 1 19 19 ILE N N 19 115.051 115.051 119.105 -4.054 19568 5110 1 20 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.992 0.058 19568 5111 1 20 . 1 1 19 19 ILE C C 19 175.727 175.727 177.668 -1.941 19568 5112 1 20 . 1 1 19 19 ILE CA C 19 62.912 62.912 62.936 -0.024 19568 5113 1 20 . 1 1 19 19 ILE CB C 19 38.712 38.712 37.622 1.090 19568 5114 1 20 . 1 1 19 19 ILE H H 19 7.395 7.395 7.680 -0.285 19568 5115 1 20 . 1 1 20 20 ILE N N 20 113.857 113.857 119.745 -5.888 19568 5116 1 20 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.232 -0.809 19568 5117 1 20 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.511 0.361 19568 5118 1 20 . 1 1 20 20 ILE H H 20 7.468 7.468 7.565 -0.097 19568 5119 1 20 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.063 -0.200 19568 5120 1 20 . 1 1 21 21 ILE C C 21 176.210 176.210 177.298 -1.088 19568 5121 1 20 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.645 1.452 19568 5122 1 20 . 1 1 22 22 GLY N N 22 106.975 106.975 109.614 -2.639 19568 5123 1 20 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.425 -0.186 19568 5124 1 20 . 1 1 22 22 GLY H H 22 8.473 8.473 7.957 0.516 19568 5125 1 20 . 1 1 23 23 PRO C C 23 177.086 177.086 178.428 -1.342 19568 5126 1 20 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.593 0.284 19568 5127 1 20 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.388 0.674 19568 5128 1 20 . 1 1 24 24 LEU N N 24 115.805 115.805 118.145 -2.340 19568 5129 1 20 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.221 -0.134 19568 5130 1 20 . 1 1 24 24 LEU C C 24 178.191 178.191 178.822 -0.631 19568 5131 1 20 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.403 1.079 19568 5132 1 20 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.062 -0.095 19568 5133 1 20 . 1 1 24 24 LEU H H 24 7.855 7.855 7.186 0.669 19568 5134 1 20 . 1 1 25 25 ILE N N 25 118.715 118.715 120.818 -2.103 19568 5135 1 20 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.732 -0.009 19568 5136 1 20 . 1 1 25 25 ILE C C 25 177.615 177.615 178.542 -0.927 19568 5137 1 20 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.344 0.046 19568 5138 1 20 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.139 -0.071 19568 5139 1 20 . 1 1 25 25 ILE H H 25 8.373 8.373 8.560 -0.187 19568 5140 1 20 . 1 1 26 26 PHE N N 26 118.782 118.782 120.109 -1.327 19568 5141 1 20 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.236 -0.254 19568 5142 1 20 . 1 1 26 26 PHE CA C 26 62.503 62.503 63.137 -0.634 19568 5143 1 20 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.840 0.230 19568 5144 1 20 . 1 1 26 26 PHE H H 26 8.191 8.191 7.929 0.262 19568 5145 1 20 . 1 1 27 27 VAL N N 27 118.263 118.263 118.461 -0.198 19568 5146 1 20 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.953 -0.491 19568 5147 1 20 . 1 1 27 27 VAL C C 27 178.431 178.431 177.666 0.765 19568 5148 1 20 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.060 1.180 19568 5149 1 20 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.155 -0.049 19568 5150 1 20 . 1 1 27 27 VAL H H 27 8.530 8.530 7.427 1.103 19568 5151 1 20 . 1 1 28 28 PHE N N 28 122.020 122.020 122.025 -0.005 19568 5152 1 20 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.272 -0.107 19568 5153 1 20 . 1 1 28 28 PHE C C 28 176.323 176.323 177.530 -1.207 19568 5154 1 20 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.344 -0.606 19568 5155 1 20 . 1 1 28 28 PHE CB C 28 39.182 39.182 38.897 0.285 19568 5156 1 20 . 1 1 28 28 PHE H H 28 8.572 8.572 8.847 -0.275 19568 5157 1 20 . 1 1 29 29 LEU N N 29 118.508 118.508 120.168 -1.660 19568 5158 1 20 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.973 -0.261 19568 5159 1 20 . 1 1 29 29 LEU C C 29 178.103 178.103 178.068 0.035 19568 5160 1 20 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.573 0.598 19568 5161 1 20 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.575 0.420 19568 5162 1 20 . 1 1 29 29 LEU H H 29 8.631 8.631 8.235 0.396 19568 5163 1 20 . 1 1 30 30 PHE N N 30 117.713 117.713 119.711 -1.998 19568 5164 1 20 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.101 -0.242 19568 5165 1 20 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.468 0.186 19568 5166 1 20 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.906 -0.051 19568 5167 1 20 . 1 1 30 30 PHE H H 30 8.701 8.701 8.050 0.651 19568 5168 1 20 . 1 1 31 31 SER N N 31 115.131 115.131 115.048 0.083 19568 5169 1 20 . 1 1 31 31 SER HA H 31 3.933 3.933 4.025 -0.092 19568 5170 1 20 . 1 1 31 31 SER C C 31 175.646 175.646 176.677 -1.031 19568 5171 1 20 . 1 1 31 31 SER CA C 31 63.631 63.631 61.824 1.807 19568 5172 1 20 . 1 1 31 31 SER CB C 31 62.767 62.767 63.004 -0.237 19568 5173 1 20 . 1 1 31 31 SER H H 31 8.137 8.137 8.387 -0.250 19568 5174 1 20 . 1 1 32 32 VAL N N 32 120.892 120.892 121.463 -0.571 19568 5175 1 20 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.483 -0.022 19568 5176 1 20 . 1 1 32 32 VAL C C 32 178.552 178.552 177.457 1.095 19568 5177 1 20 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.358 0.039 19568 5178 1 20 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.326 0.026 19568 5179 1 20 . 1 1 32 32 VAL H H 32 7.820 7.820 7.866 -0.046 19568 5180 1 20 . 1 1 33 33 VAL N N 33 121.892 121.892 120.333 1.559 19568 5181 1 20 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.637 -0.234 19568 5182 1 20 . 1 1 33 33 VAL C C 33 177.129 177.129 177.927 -0.798 19568 5183 1 20 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.392 1.310 19568 5184 1 20 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.345 0.061 19568 5185 1 20 . 1 1 33 33 VAL H H 33 8.061 8.061 7.655 0.406 19568 5186 1 20 . 1 1 34 34 ILE N N 34 117.742 117.742 119.140 -1.398 19568 5187 1 20 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.605 -0.039 19568 5188 1 20 . 1 1 34 34 ILE C C 34 178.041 178.041 177.552 0.489 19568 5189 1 20 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.743 0.596 19568 5190 1 20 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.985 -0.556 19568 5191 1 20 . 1 1 34 34 ILE H H 34 8.285 8.285 7.772 0.513 19568 5192 1 20 . 1 1 35 35 GLY N N 35 107.221 107.221 108.469 -1.248 19568 5193 1 20 . 1 1 35 35 GLY C C 35 174.842 174.842 176.012 -1.170 19568 5194 1 20 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.244 0.452 19568 5195 1 20 . 1 1 35 35 GLY H H 35 8.676 8.676 7.672 1.004 19568 5196 1 20 . 1 1 36 36 SER N N 36 117.895 117.895 117.580 0.315 19568 5197 1 20 . 1 1 36 36 SER HA H 36 4.080 4.080 4.252 -0.172 19568 5198 1 20 . 1 1 36 36 SER C C 36 175.749 175.749 176.543 -0.794 19568 5199 1 20 . 1 1 36 36 SER CA C 36 63.895 63.895 61.531 2.364 19568 5200 1 20 . 1 1 36 36 SER CB C 36 63.038 63.038 62.805 0.233 19568 5201 1 20 . 1 1 36 36 SER H H 36 8.185 8.185 7.639 0.546 19568 5202 1 20 . 1 1 37 37 ILE N N 37 122.412 122.412 122.437 -0.025 19568 5203 1 20 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.821 -0.171 19568 5204 1 20 . 1 1 37 37 ILE C C 37 177.436 177.436 176.989 0.447 19568 5205 1 20 . 1 1 37 37 ILE CA C 37 66.079 66.079 64.138 1.941 19568 5206 1 20 . 1 1 37 37 ILE CB C 37 37.947 37.947 38.124 -0.177 19568 5207 1 20 . 1 1 37 37 ILE H H 37 7.971 7.971 8.044 -0.073 19568 5208 1 20 . 1 1 38 38 TYR N N 38 119.517 119.517 120.415 -0.898 19568 5209 1 20 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.036 0.131 19568 5210 1 20 . 1 1 38 38 TYR C C 38 176.818 176.818 177.713 -0.895 19568 5211 1 20 . 1 1 38 38 TYR CA C 38 62.452 62.452 61.975 0.477 19568 5212 1 20 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.023 0.243 19568 5213 1 20 . 1 1 38 38 TYR H H 38 8.450 8.450 8.124 0.326 19568 5214 1 20 . 1 1 39 39 LEU N N 39 117.459 117.459 118.675 -1.216 19568 5215 1 20 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.899 -0.202 19568 5216 1 20 . 1 1 39 39 LEU C C 39 178.873 178.873 179.087 -0.214 19568 5217 1 20 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.374 -0.444 19568 5218 1 20 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.449 0.712 19568 5219 1 20 . 1 1 39 39 LEU H H 39 8.369 8.369 7.731 0.638 19568 5220 1 20 . 1 1 40 40 PHE N N 40 118.068 118.068 118.227 -0.159 19568 5221 1 20 . 1 1 40 40 PHE C C 40 177.002 177.002 177.722 -0.720 19568 5222 1 20 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.566 -0.357 19568 5223 1 20 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.255 -3.688 19568 5224 1 20 . 1 1 40 40 PHE H H 40 8.317 8.317 7.740 0.577 19568 5225 1 20 . 1 1 41 41 LEU N N 41 117.738 117.738 120.208 -2.470 19568 5226 1 20 . 1 1 41 41 LEU HA H 41 3.981 3.981 3.990 -0.009 19568 5227 1 20 . 1 1 41 41 LEU C C 41 177.917 177.917 178.138 -0.221 19568 5228 1 20 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.943 -0.202 19568 5229 1 20 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.421 0.934 19568 5230 1 20 . 1 1 41 41 LEU H H 41 8.309 8.309 7.719 0.590 19568 5231 1 20 . 1 1 42 42 ARG N N 42 118.199 118.199 118.894 -0.695 19568 5232 1 20 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.065 -0.054 19568 5233 1 20 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.483 -0.387 19568 5234 1 20 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.169 -0.294 19568 5235 1 20 . 1 1 42 42 ARG H H 42 7.957 7.957 7.706 0.251 19568 5236 1 20 . 1 1 43 43 LYS N N 43 119.027 119.027 117.906 1.121 19568 5237 1 20 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.236 -0.062 19568 5238 1 20 . 1 1 43 43 LYS C C 43 176.558 176.558 176.227 0.331 19568 5239 1 20 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.816 -0.385 19568 5240 1 20 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.495 0.081 19568 5241 1 20 . 1 1 43 43 LYS H H 43 7.799 7.799 7.699 0.100 19568 5242 1 20 . 1 1 44 44 ARG N N 44 120.558 120.558 118.803 1.755 19568 5243 1 20 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.368 -0.196 19568 5244 1 20 . 1 1 44 44 ARG C C 44 175.813 175.813 174.851 0.962 19568 5245 1 20 . 1 1 44 44 ARG CA C 44 56.216 56.216 56.077 0.139 19568 5246 1 20 . 1 1 44 44 ARG CB C 44 30.658 30.658 32.133 -1.475 19568 5247 1 20 . 1 1 44 44 ARG H H 44 7.727 7.727 7.594 0.133 19568 5248 1 20 . 1 1 45 45 GLN N N 45 122.179 122.179 120.085 2.094 19568 5249 1 20 . 1 1 45 45 GLN C C 45 173.795 173.795 173.535 0.260 19568 5250 1 20 . 1 1 45 45 GLN CA C 45 53.615 53.615 55.422 -1.806 19568 5251 1 20 . 1 1 45 45 GLN CB C 45 29.002 29.002 27.025 1.977 19568 5252 1 20 . 1 1 45 45 GLN H H 45 8.141 8.141 7.656 0.485 19568 5253 1 20 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.252 0.130 19568 5254 1 20 . 1 1 46 46 PRO C C 46 176.477 176.477 177.069 -0.592 19568 5255 1 20 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.183 0.064 19568 5256 1 20 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.156 0.916 19568 5257 1 20 . 1 1 47 47 ASP N N 47 120.424 120.424 125.371 -4.947 19568 5258 1 20 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.394 0.192 19568 5259 1 20 . 1 1 47 47 ASP C C 47 176.316 176.316 176.600 -0.284 19568 5260 1 20 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.106 1.250 19568 5261 1 20 . 1 1 47 47 ASP CB C 47 41.547 41.547 38.611 2.936 19568 5262 1 20 . 1 1 47 47 ASP H H 47 8.333 8.333 8.240 0.093 19568 5263 1 20 . 1 1 48 48 GLY N N 48 108.892 108.892 109.392 -0.500 19568 5264 1 20 . 1 1 48 48 GLY C C 48 171.778 171.778 173.704 -1.926 19568 5265 1 20 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.904 -0.274 19568 5266 1 20 . 1 1 48 48 GLY H H 48 8.063 8.063 8.361 -0.298 19568 5267 1 20 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.324 0.047 19568 5268 1 20 . 1 1 49 49 PRO C C 49 177.077 177.077 176.491 0.586 19568 5269 1 20 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.362 -0.127 19568 5270 1 20 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.865 0.283 19568 5271 1 20 . 1 1 50 50 LEU N N 50 121.757 121.757 117.831 3.926 19568 5272 1 20 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.201 0.044 19568 5273 1 20 . 1 1 50 50 LEU C C 50 177.320 177.320 177.064 0.256 19568 5274 1 20 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.470 -0.206 19568 5275 1 20 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.980 0.268 19568 5276 1 20 . 1 1 50 50 LEU H H 50 8.263 8.263 7.610 0.653 19568 5277 1 20 . 1 1 51 51 GLU N N 51 121.007 121.007 117.660 3.347 19568 5278 1 20 . 1 1 51 51 GLU CA C 51 56.531 56.531 55.808 0.723 19568 5279 1 20 . 1 1 51 51 GLU CB C 51 30.370 30.370 29.689 0.681 19568 5280 1 20 . 1 1 51 51 GLU H H 51 8.166 8.166 7.632 0.534 19568 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 45 2.052 1.154 1.717 19568 2 1 1 "Average Difference" HA 42 0.207 0.089 0.189 19568 3 1 1 "Average Difference" C 39 1.038 0.606 0.853 19568 4 1 1 "Average Difference" CA 50 1.166 -0.197 1.161 19568 5 1 1 "Average Difference" CB 44 0.894 -0.130 0.895 19568 6 1 1 "Average Difference" HN 45 0.390 -0.188 0.346 19568 7 1 2 "Average Difference" N 45 2.494 0.742 2.409 19568 8 1 2 "Average Difference" HA 42 0.259 0.132 0.225 19568 9 1 2 "Average Difference" C 39 0.963 0.447 0.864 19568 10 1 2 "Average Difference" CA 50 1.244 -0.292 1.221 19568 11 1 2 "Average Difference" CB 44 1.121 -0.038 1.134 19568 12 1 2 "Average Difference" HN 45 0.437 -0.111 0.428 19568 13 1 3 "Average Difference" N 45 2.397 1.080 2.165 19568 14 1 3 "Average Difference" HA 42 0.232 0.146 0.182 19568 15 1 3 "Average Difference" C 39 0.983 0.598 0.791 19568 16 1 3 "Average Difference" CA 50 1.106 -0.170 1.104 19568 17 1 3 "Average Difference" CB 44 0.977 -0.083 0.984 19568 18 1 3 "Average Difference" HN 45 0.407 -0.115 0.395 19568 19 1 4 "Average Difference" N 45 2.311 1.123 2.043 19568 20 1 4 "Average Difference" HA 42 0.212 0.082 0.198 19568 21 1 4 "Average Difference" C 39 1.032 0.539 0.892 19568 22 1 4 "Average Difference" CA 50 1.218 -0.033 1.230 19568 23 1 4 "Average Difference" CB 44 1.109 -0.072 1.120 19568 24 1 4 "Average Difference" HN 45 0.396 -0.109 0.385 19568 25 1 5 "Average Difference" N 45 2.684 0.929 2.546 19568 26 1 5 "Average Difference" HA 42 0.239 0.080 0.228 19568 27 1 5 "Average Difference" C 39 0.999 0.692 0.729 19568 28 1 5 "Average Difference" CA 50 1.220 -0.042 1.232 19568 29 1 5 "Average Difference" CB 44 0.914 -0.188 0.905 19568 30 1 5 "Average Difference" HN 45 0.419 -0.131 0.402 19568 31 1 6 "Average Difference" N 45 2.426 1.028 2.222 19568 32 1 6 "Average Difference" HA 42 0.220 0.098 0.199 19568 33 1 6 "Average Difference" C 39 1.104 0.623 0.924 19568 34 1 6 "Average Difference" CA 50 1.213 0.008 1.225 19568 35 1 6 "Average Difference" CB 44 1.111 -0.176 1.110 19568 36 1 6 "Average Difference" HN 45 0.429 -0.116 0.418 19568 37 1 7 "Average Difference" N 45 2.729 1.177 2.489 19568 38 1 7 "Average Difference" HA 42 0.203 0.066 0.194 19568 39 1 7 "Average Difference" C 39 0.948 0.530 0.796 19568 40 1 7 "Average Difference" CA 50 1.195 -0.031 1.207 19568 41 1 7 "Average Difference" CB 44 1.058 -0.181 1.055 19568 42 1 7 "Average Difference" HN 45 0.400 -0.154 0.373 19568 43 1 8 "Average Difference" N 45 2.334 1.242 1.998 19568 44 1 8 "Average Difference" HA 42 0.234 0.079 0.223 19568 45 1 8 "Average Difference" C 39 1.070 0.677 0.840 19568 46 1 8 "Average Difference" CA 50 1.229 0.049 1.240 19568 47 1 8 "Average Difference" CB 44 1.086 0.038 1.098 19568 48 1 8 "Average Difference" HN 45 0.404 -0.139 0.384 19568 49 1 9 "Average Difference" N 45 2.110 0.978 1.890 19568 50 1 9 "Average Difference" HA 42 0.222 0.089 0.206 19568 51 1 9 "Average Difference" C 39 1.013 0.595 0.830 19568 52 1 9 "Average Difference" CA 50 1.053 0.005 1.063 19568 53 1 9 "Average Difference" CB 44 0.978 -0.125 0.981 19568 54 1 9 "Average Difference" HN 45 0.396 -0.101 0.388 19568 55 1 10 "Average Difference" N 45 2.221 1.202 1.889 19568 56 1 10 "Average Difference" HA 42 0.252 0.094 0.237 19568 57 1 10 "Average Difference" C 39 1.059 0.741 0.766 19568 58 1 10 "Average Difference" CA 50 1.214 0.044 1.226 19568 59 1 10 "Average Difference" CB 44 0.941 -0.075 0.948 19568 60 1 10 "Average Difference" HN 45 0.433 -0.034 0.437 19568 61 1 11 "Average Difference" N 45 2.700 0.819 2.602 19568 62 1 11 "Average Difference" HA 42 0.262 0.110 0.241 19568 63 1 11 "Average Difference" C 39 1.090 0.622 0.906 19568 64 1 11 "Average Difference" CA 50 1.277 -0.155 1.281 19568 65 1 11 "Average Difference" CB 44 1.152 -0.303 1.125 19568 66 1 11 "Average Difference" HN 45 0.425 -0.079 0.422 19568 67 1 12 "Average Difference" N 45 2.225 0.711 2.132 19568 68 1 12 "Average Difference" HA 42 0.215 0.123 0.178 19568 69 1 12 "Average Difference" C 39 0.912 0.440 0.810 19568 70 1 12 "Average Difference" CA 50 1.062 -0.074 1.070 19568 71 1 12 "Average Difference" CB 44 1.008 0.043 1.018 19568 72 1 12 "Average Difference" HN 45 0.516 -0.171 0.492 19568 73 1 13 "Average Difference" N 45 2.291 0.694 2.208 19568 74 1 13 "Average Difference" HA 42 0.249 0.101 0.230 19568 75 1 13 "Average Difference" C 39 0.998 0.632 0.783 19568 76 1 13 "Average Difference" CA 50 0.987 -0.055 0.996 19568 77 1 13 "Average Difference" CB 44 1.112 -0.097 1.121 19568 78 1 13 "Average Difference" HN 45 0.406 -0.118 0.393 19568 79 1 14 "Average Difference" N 45 2.278 0.919 2.108 19568 80 1 14 "Average Difference" HA 42 0.203 0.092 0.183 19568 81 1 14 "Average Difference" C 39 1.028 0.649 0.808 19568 82 1 14 "Average Difference" CA 50 1.173 -0.122 1.179 19568 83 1 14 "Average Difference" CB 44 1.060 -0.244 1.044 19568 84 1 14 "Average Difference" HN 45 0.516 -0.158 0.496 19568 85 1 15 "Average Difference" N 45 2.254 1.415 1.774 19568 86 1 15 "Average Difference" HA 42 0.193 0.078 0.179 19568 87 1 15 "Average Difference" C 39 1.058 0.535 0.924 19568 88 1 15 "Average Difference" CA 50 1.192 -0.110 1.199 19568 89 1 15 "Average Difference" CB 44 1.065 -0.133 1.069 19568 90 1 15 "Average Difference" HN 45 0.429 -0.158 0.403 19568 91 1 16 "Average Difference" N 45 2.448 1.166 2.177 19568 92 1 16 "Average Difference" HA 42 0.212 0.088 0.195 19568 93 1 16 "Average Difference" C 39 0.927 0.456 0.818 19568 94 1 16 "Average Difference" CA 50 1.106 -0.091 1.113 19568 95 1 16 "Average Difference" CB 44 1.020 -0.122 1.024 19568 96 1 16 "Average Difference" HN 45 0.406 -0.151 0.381 19568 97 1 17 "Average Difference" N 45 2.363 1.058 2.137 19568 98 1 17 "Average Difference" HA 42 0.215 0.079 0.203 19568 99 1 17 "Average Difference" C 39 0.956 0.482 0.836 19568 100 1 17 "Average Difference" CA 50 1.324 -0.266 1.310 19568 101 1 17 "Average Difference" CB 44 0.953 0.001 0.964 19568 102 1 17 "Average Difference" HN 45 0.396 -0.124 0.381 19568 103 1 18 "Average Difference" N 45 2.268 1.186 1.955 19568 104 1 18 "Average Difference" HA 42 0.254 0.061 0.249 19568 105 1 18 "Average Difference" C 39 0.872 0.553 0.682 19568 106 1 18 "Average Difference" CA 50 1.119 -0.234 1.106 19568 107 1 18 "Average Difference" CB 44 0.944 -0.093 0.950 19568 108 1 18 "Average Difference" HN 45 0.429 -0.190 0.390 19568 109 1 19 "Average Difference" N 45 2.389 1.159 2.113 19568 110 1 19 "Average Difference" HA 42 0.213 0.075 0.202 19568 111 1 19 "Average Difference" C 39 1.010 0.525 0.874 19568 112 1 19 "Average Difference" CA 50 1.050 -0.020 1.060 19568 113 1 19 "Average Difference" CB 44 1.033 -0.048 1.044 19568 114 1 19 "Average Difference" HN 45 0.418 -0.078 0.415 19568 115 1 20 "Average Difference" N 45 2.223 0.974 2.021 19568 116 1 20 "Average Difference" HA 42 0.201 0.076 0.188 19568 117 1 20 "Average Difference" C 39 1.005 0.609 0.811 19568 118 1 20 "Average Difference" CA 50 1.153 0.110 1.159 19568 119 1 20 "Average Difference" CB 44 1.086 -0.143 1.089 19568 120 1 20 "Average Difference" HN 45 0.487 -0.151 0.468 19568 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 19568 _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 THR N N 2 113.734 113.734 114.773 -1.039 19568 2 1 . 1 1 2 2 THR HA H 2 4.076 4.076 4.422 -0.346 19568 3 1 . 1 1 2 2 THR C C 2 174.729 174.729 175.479 -0.750 19568 4 1 . 1 1 2 2 THR CA C 2 63.234 63.234 63.160 0.074 19568 5 1 . 1 1 2 2 THR CB C 2 69.247 69.247 68.965 0.282 19568 6 1 . 1 1 2 2 THR H H 2 8.100 8.100 8.119 -0.019 19568 7 1 . 1 1 3 3 TYR N N 3 119.785 119.785 120.696 -0.911 19568 8 1 . 1 1 3 3 TYR HA H 3 4.239 4.239 4.398 -0.159 19568 9 1 . 1 1 3 3 TYR C C 3 175.468 175.468 177.272 -1.804 19568 10 1 . 1 1 3 3 TYR CA C 3 59.361 59.361 59.437 -0.076 19568 11 1 . 1 1 3 3 TYR CB C 3 38.536 38.536 37.715 0.821 19568 12 1 . 1 1 3 3 TYR H H 3 7.911 7.911 7.871 0.040 19568 13 1 . 1 1 4 4 PHE N N 4 117.223 117.223 119.075 -1.852 19568 14 1 . 1 1 4 4 PHE HA H 4 4.440 4.440 4.157 0.283 19568 15 1 . 1 1 4 4 PHE C C 4 174.872 174.872 177.229 -2.357 19568 16 1 . 1 1 4 4 PHE CA C 4 58.593 58.593 61.079 -2.486 19568 17 1 . 1 1 4 4 PHE CB C 4 39.220 39.220 38.655 0.565 19568 18 1 . 1 1 4 4 PHE H H 4 7.634 7.634 8.186 -0.552 19568 19 1 . 1 1 5 5 TYR N N 5 118.715 118.715 118.533 0.182 19568 20 1 . 1 1 5 5 TYR HA H 5 4.539 4.539 4.262 0.277 19568 21 1 . 1 1 5 5 TYR C C 5 176.539 176.539 177.732 -1.193 19568 22 1 . 1 1 5 5 TYR CA C 5 58.768 58.768 61.667 -2.899 19568 23 1 . 1 1 5 5 TYR CB C 5 38.267 38.267 38.658 -0.391 19568 24 1 . 1 1 5 5 TYR H H 5 7.877 7.877 8.130 -0.253 19568 25 1 . 1 1 6 6 VAL N N 6 118.275 118.275 117.767 0.508 19568 26 1 . 1 1 6 6 VAL HA H 6 3.934 3.934 3.735 0.199 19568 27 1 . 1 1 6 6 VAL C C 6 176.487 176.487 177.539 -1.052 19568 28 1 . 1 1 6 6 VAL CA C 6 64.462 64.462 65.284 -0.822 19568 29 1 . 1 1 6 6 VAL CB C 6 31.983 31.983 31.224 0.759 19568 30 1 . 1 1 6 6 VAL H H 6 7.930 7.930 8.020 -0.090 19568 31 1 . 1 1 7 7 THR N N 7 111.175 111.175 114.632 -3.457 19568 32 1 . 1 1 7 7 THR HA H 7 4.212 4.212 4.258 -0.046 19568 33 1 . 1 1 7 7 THR C C 7 175.536 175.536 176.147 -0.611 19568 34 1 . 1 1 7 7 THR CA C 7 64.289 64.289 65.557 -1.268 19568 35 1 . 1 1 7 7 THR CB C 7 68.479 68.479 68.742 -0.263 19568 36 1 . 1 1 7 7 THR H H 7 7.814 7.814 8.130 -0.316 19568 37 1 . 1 1 8 8 ASP N N 8 121.151 121.151 122.506 -1.355 19568 38 1 . 1 1 8 8 ASP HA H 8 4.446 4.446 4.345 0.101 19568 39 1 . 1 1 8 8 ASP CA C 8 56.017 56.017 56.539 -0.522 19568 40 1 . 1 1 8 8 ASP CB C 8 40.695 40.695 40.175 0.520 19568 41 1 . 1 1 8 8 ASP H H 8 8.006 8.006 7.936 0.070 19568 42 1 . 1 1 9 9 TYR N N 9 117.806 117.806 119.287 -1.481 19568 43 1 . 1 1 9 9 TYR HA H 9 4.341 4.341 4.242 0.099 19568 44 1 . 1 1 9 9 TYR C C 9 176.025 176.025 176.338 -0.313 19568 45 1 . 1 1 9 9 TYR CA C 9 59.525 59.525 60.327 -0.802 19568 46 1 . 1 1 9 9 TYR CB C 9 39.333 39.333 38.843 0.490 19568 47 1 . 1 1 9 9 TYR H H 9 7.726 7.726 7.538 0.188 19568 48 1 . 1 1 10 10 LEU N N 10 116.985 116.985 119.117 -2.132 19568 49 1 . 1 1 10 10 LEU HA H 10 4.277 4.277 4.366 -0.089 19568 50 1 . 1 1 10 10 LEU C C 10 175.391 175.391 175.536 -0.145 19568 51 1 . 1 1 10 10 LEU CA C 10 54.693 54.693 54.536 0.157 19568 52 1 . 1 1 10 10 LEU CB C 10 43.009 43.009 41.874 1.135 19568 53 1 . 1 1 10 10 LEU H H 10 7.514 7.514 7.427 0.087 19568 54 1 . 1 1 11 11 ASP N N 11 120.049 120.049 120.541 -0.492 19568 55 1 . 1 1 11 11 ASP HA H 11 4.516 4.516 4.778 -0.262 19568 56 1 . 1 1 11 11 ASP CA C 11 53.877 53.877 53.322 0.555 19568 57 1 . 1 1 11 11 ASP CB C 11 40.610 40.610 43.388 -2.778 19568 58 1 . 1 1 11 11 ASP H H 11 7.978 7.978 7.468 0.510 19568 59 1 . 1 1 12 12 VAL N N 12 118.837 118.837 122.134 -3.297 19568 60 1 . 1 1 12 12 VAL CA C 12 59.819 59.819 59.552 0.267 19568 61 1 . 1 1 12 12 VAL H H 12 7.780 7.780 8.111 -0.331 19568 62 1 . 1 1 13 13 PRO HA H 13 4.080 4.080 4.566 -0.486 19568 63 1 . 1 1 13 13 PRO CA C 13 63.373 63.373 62.664 0.709 19568 64 1 . 1 1 13 13 PRO CB C 13 31.965 31.965 32.628 -0.663 19568 65 1 . 1 1 14 14 SER N N 14 117.102 117.102 117.913 -0.811 19568 66 1 . 1 1 14 14 SER HA H 14 4.080 4.080 4.099 -0.019 19568 67 1 . 1 1 14 14 SER CA C 14 61.149 61.149 60.570 0.579 19568 68 1 . 1 1 14 14 SER H H 14 8.631 8.631 8.756 -0.125 19568 69 1 . 1 1 15 15 ASN N N 15 118.240 118.240 120.450 -2.210 19568 70 1 . 1 1 15 15 ASN HA H 15 4.504 4.504 4.482 0.022 19568 71 1 . 1 1 15 15 ASN C C 15 176.447 176.447 177.083 -0.636 19568 72 1 . 1 1 15 15 ASN CA C 15 55.409 55.409 55.911 -0.502 19568 73 1 . 1 1 15 15 ASN CB C 15 37.458 37.458 38.063 -0.605 19568 74 1 . 1 1 15 15 ASN H H 15 8.500 8.500 8.359 0.141 19568 75 1 . 1 1 16 16 ILE N N 16 118.674 118.674 118.892 -0.218 19568 76 1 . 1 1 16 16 ILE HA H 16 3.985 3.985 3.921 0.064 19568 77 1 . 1 1 16 16 ILE C C 16 176.784 176.784 176.971 -0.187 19568 78 1 . 1 1 16 16 ILE CA C 16 62.338 62.338 63.301 -0.963 19568 79 1 . 1 1 16 16 ILE CB C 16 37.645 37.645 37.398 0.247 19568 80 1 . 1 1 16 16 ILE H H 16 7.499 7.499 7.987 -0.488 19568 81 1 . 1 1 17 17 ALA N N 17 123.146 123.146 122.676 0.470 19568 82 1 . 1 1 17 17 ALA HA H 17 3.906 3.906 4.122 -0.216 19568 83 1 . 1 1 17 17 ALA C C 17 178.295 178.295 179.271 -0.976 19568 84 1 . 1 1 17 17 ALA CA C 17 55.267 55.267 54.956 0.311 19568 85 1 . 1 1 17 17 ALA CB C 17 18.538 18.538 18.375 0.163 19568 86 1 . 1 1 17 17 ALA H H 17 8.154 8.154 8.120 0.034 19568 87 1 . 1 1 18 18 LYS N N 18 113.996 113.996 118.912 -4.916 19568 88 1 . 1 1 18 18 LYS HA H 18 3.949 3.949 4.255 -0.306 19568 89 1 . 1 1 18 18 LYS C C 18 177.195 177.195 178.188 -0.993 19568 90 1 . 1 1 18 18 LYS CA C 18 59.407 59.407 58.475 0.932 19568 91 1 . 1 1 18 18 LYS CB C 18 32.787 32.787 32.937 -0.150 19568 92 1 . 1 1 18 18 LYS H H 18 7.867 7.867 7.525 0.342 19568 93 1 . 1 1 19 19 ILE N N 19 115.051 115.051 119.425 -4.374 19568 94 1 . 1 1 19 19 ILE HA H 19 4.050 4.050 3.913 0.137 19568 95 1 . 1 1 19 19 ILE C C 19 175.727 175.727 177.408 -1.681 19568 96 1 . 1 1 19 19 ILE CA C 19 62.912 62.912 63.804 -0.892 19568 97 1 . 1 1 19 19 ILE CB C 19 38.712 38.712 38.109 0.603 19568 98 1 . 1 1 19 19 ILE H H 19 7.395 7.395 7.703 -0.308 19568 99 1 . 1 1 20 20 ILE N N 20 113.857 113.857 119.802 -5.946 19568 100 1 . 1 1 20 20 ILE CA C 20 62.423 62.423 63.247 -0.824 19568 101 1 . 1 1 20 20 ILE CB C 20 38.872 38.872 38.646 0.226 19568 102 1 . 1 1 20 20 ILE H H 20 7.468 7.468 7.552 -0.084 19568 103 1 . 1 1 21 21 ILE HA H 21 3.863 3.863 4.102 -0.239 19568 104 1 . 1 1 21 21 ILE C C 21 176.210 176.210 177.629 -1.419 19568 105 1 . 1 1 21 21 ILE CA C 21 64.096 64.096 62.948 1.148 19568 106 1 . 1 1 22 22 GLY N N 22 106.975 106.975 109.576 -2.601 19568 107 1 . 1 1 22 22 GLY CA C 22 48.239 48.239 48.507 -0.268 19568 108 1 . 1 1 22 22 GLY H H 22 8.473 8.473 8.046 0.427 19568 109 1 . 1 1 23 23 PRO C C 23 177.086 177.086 178.205 -1.119 19568 110 1 . 1 1 23 23 PRO CA C 23 65.877 65.877 65.421 0.456 19568 111 1 . 1 1 23 23 PRO CB C 23 32.062 32.062 31.426 0.636 19568 112 1 . 1 1 24 24 LEU N N 24 115.805 115.805 118.471 -2.666 19568 113 1 . 1 1 24 24 LEU HA H 24 4.087 4.087 4.244 -0.157 19568 114 1 . 1 1 24 24 LEU C C 24 178.191 178.191 178.609 -0.418 19568 115 1 . 1 1 24 24 LEU CA C 24 58.482 58.482 57.570 0.912 19568 116 1 . 1 1 24 24 LEU CB C 24 41.967 41.967 42.154 -0.187 19568 117 1 . 1 1 24 24 LEU H H 24 7.855 7.855 7.863 -0.008 19568 118 1 . 1 1 25 25 ILE N N 25 118.715 118.715 120.696 -1.981 19568 119 1 . 1 1 25 25 ILE HA H 25 3.723 3.723 3.665 0.058 19568 120 1 . 1 1 25 25 ILE C C 25 177.615 177.615 178.171 -0.556 19568 121 1 . 1 1 25 25 ILE CA C 25 65.390 65.390 65.158 0.232 19568 122 1 . 1 1 25 25 ILE CB C 25 37.068 37.068 37.308 -0.240 19568 123 1 . 1 1 25 25 ILE H H 25 8.373 8.373 8.360 0.013 19568 124 1 . 1 1 26 26 PHE N N 26 118.782 118.782 119.600 -0.818 19568 125 1 . 1 1 26 26 PHE HA H 26 3.982 3.982 4.248 -0.266 19568 126 1 . 1 1 26 26 PHE CA C 26 62.503 62.503 62.527 -0.024 19568 127 1 . 1 1 26 26 PHE CB C 26 39.069 39.069 38.590 0.479 19568 128 1 . 1 1 26 26 PHE H H 26 8.191 8.191 7.927 0.264 19568 129 1 . 1 1 27 27 VAL N N 27 118.263 118.263 119.184 -0.921 19568 130 1 . 1 1 27 27 VAL HA H 27 3.462 3.462 3.718 -0.256 19568 131 1 . 1 1 27 27 VAL C C 27 178.431 178.431 177.896 0.535 19568 132 1 . 1 1 27 27 VAL CA C 27 67.240 67.240 66.221 1.019 19568 133 1 . 1 1 27 27 VAL CB C 27 31.106 31.106 31.383 -0.277 19568 134 1 . 1 1 27 27 VAL H H 27 8.530 8.530 7.750 0.780 19568 135 1 . 1 1 28 28 PHE N N 28 122.020 122.020 121.181 0.839 19568 136 1 . 1 1 28 28 PHE HA H 28 4.165 4.165 4.286 -0.121 19568 137 1 . 1 1 28 28 PHE C C 28 176.323 176.323 177.443 -1.120 19568 138 1 . 1 1 28 28 PHE CA C 28 61.738 61.738 62.173 -0.435 19568 139 1 . 1 1 28 28 PHE CB C 28 39.182 39.182 39.330 -0.148 19568 140 1 . 1 1 28 28 PHE H H 28 8.572 8.572 8.427 0.145 19568 141 1 . 1 1 29 29 LEU N N 29 118.508 118.508 120.218 -1.710 19568 142 1 . 1 1 29 29 LEU HA H 29 3.712 3.712 3.980 -0.268 19568 143 1 . 1 1 29 29 LEU C C 29 178.103 178.103 178.531 -0.428 19568 144 1 . 1 1 29 29 LEU CA C 29 58.171 58.171 57.926 0.245 19568 145 1 . 1 1 29 29 LEU CB C 29 41.995 41.995 41.649 0.347 19568 146 1 . 1 1 29 29 LEU H H 29 8.631 8.631 8.327 0.304 19568 147 1 . 1 1 30 30 PHE N N 30 117.713 117.713 119.201 -1.488 19568 148 1 . 1 1 30 30 PHE HA H 30 3.859 3.859 4.156 -0.297 19568 149 1 . 1 1 30 30 PHE CA C 30 61.654 61.654 61.388 0.266 19568 150 1 . 1 1 30 30 PHE CB C 30 38.855 38.855 38.851 0.004 19568 151 1 . 1 1 30 30 PHE H H 30 8.701 8.701 8.204 0.497 19568 152 1 . 1 1 31 31 SER N N 31 115.131 115.131 115.639 -0.508 19568 153 1 . 1 1 31 31 SER HA H 31 3.933 3.933 4.145 -0.211 19568 154 1 . 1 1 31 31 SER C C 31 175.646 175.646 176.767 -1.121 19568 155 1 . 1 1 31 31 SER CA C 31 63.631 63.631 61.796 1.835 19568 156 1 . 1 1 31 31 SER CB C 31 62.767 62.767 62.827 -0.060 19568 157 1 . 1 1 31 31 SER H H 31 8.137 8.137 8.252 -0.115 19568 158 1 . 1 1 32 32 VAL N N 32 120.892 120.892 121.773 -0.881 19568 159 1 . 1 1 32 32 VAL HA H 32 3.461 3.461 3.614 -0.153 19568 160 1 . 1 1 32 32 VAL C C 32 178.552 178.552 177.566 0.986 19568 161 1 . 1 1 32 32 VAL CA C 32 66.397 66.397 66.212 0.185 19568 162 1 . 1 1 32 32 VAL CB C 32 31.352 31.352 31.428 -0.076 19568 163 1 . 1 1 32 32 VAL H H 32 7.820 7.820 7.849 -0.029 19568 164 1 . 1 1 33 33 VAL N N 33 121.892 121.892 120.169 1.723 19568 165 1 . 1 1 33 33 VAL HA H 33 3.403 3.403 3.631 -0.228 19568 166 1 . 1 1 33 33 VAL C C 33 177.129 177.129 178.201 -1.072 19568 167 1 . 1 1 33 33 VAL CA C 33 67.702 67.702 66.550 1.152 19568 168 1 . 1 1 33 33 VAL CB C 33 31.405 31.405 31.390 0.015 19568 169 1 . 1 1 33 33 VAL H H 33 8.061 8.061 7.521 0.540 19568 170 1 . 1 1 34 34 ILE N N 34 117.742 117.742 118.238 -0.496 19568 171 1 . 1 1 34 34 ILE HA H 34 3.566 3.566 3.771 -0.205 19568 172 1 . 1 1 34 34 ILE C C 34 178.041 178.041 177.926 0.115 19568 173 1 . 1 1 34 34 ILE CA C 34 64.340 64.340 63.968 0.372 19568 174 1 . 1 1 34 34 ILE CB C 34 36.429 36.429 36.998 -0.569 19568 175 1 . 1 1 34 34 ILE H H 34 8.285 8.285 7.834 0.451 19568 176 1 . 1 1 35 35 GLY N N 35 107.221 107.221 108.820 -1.599 19568 177 1 . 1 1 35 35 GLY C C 35 174.842 174.842 176.049 -1.207 19568 178 1 . 1 1 35 35 GLY CA C 35 47.696 47.696 47.178 0.518 19568 179 1 . 1 1 35 35 GLY H H 35 8.676 8.676 7.721 0.955 19568 180 1 . 1 1 36 36 SER N N 36 117.895 117.895 117.449 0.446 19568 181 1 . 1 1 36 36 SER HA H 36 4.080 4.080 4.286 -0.206 19568 182 1 . 1 1 36 36 SER C C 36 175.749 175.749 176.667 -0.918 19568 183 1 . 1 1 36 36 SER CA C 36 63.895 63.895 61.170 2.725 19568 184 1 . 1 1 36 36 SER CB C 36 63.038 63.038 63.062 -0.024 19568 185 1 . 1 1 36 36 SER H H 36 8.185 8.185 7.929 0.256 19568 186 1 . 1 1 37 37 ILE N N 37 122.412 122.412 122.108 0.304 19568 187 1 . 1 1 37 37 ILE HA H 37 3.650 3.650 3.895 -0.245 19568 188 1 . 1 1 37 37 ILE C C 37 177.436 177.436 177.491 -0.055 19568 189 1 . 1 1 37 37 ILE CA C 37 66.079 66.079 63.847 2.232 19568 190 1 . 1 1 37 37 ILE CB C 37 37.947 37.947 37.844 0.103 19568 191 1 . 1 1 37 37 ILE H H 37 7.971 7.971 7.885 0.086 19568 192 1 . 1 1 38 38 TYR N N 38 119.517 119.517 120.755 -1.238 19568 193 1 . 1 1 38 38 TYR HA H 38 4.167 4.167 4.091 0.076 19568 194 1 . 1 1 38 38 TYR C C 38 176.818 176.818 177.815 -0.997 19568 195 1 . 1 1 38 38 TYR CA C 38 62.452 62.452 62.126 0.326 19568 196 1 . 1 1 38 38 TYR CB C 38 38.266 38.266 38.096 0.170 19568 197 1 . 1 1 38 38 TYR H H 38 8.450 8.450 7.956 0.494 19568 198 1 . 1 1 39 39 LEU N N 39 117.459 117.459 118.934 -1.475 19568 199 1 . 1 1 39 39 LEU HA H 39 3.697 3.697 3.895 -0.198 19568 200 1 . 1 1 39 39 LEU C C 39 178.873 178.873 178.949 -0.076 19568 201 1 . 1 1 39 39 LEU CA C 39 57.930 57.930 58.077 -0.147 19568 202 1 . 1 1 39 39 LEU CB C 39 42.161 42.161 41.649 0.512 19568 203 1 . 1 1 39 39 LEU H H 39 8.369 8.369 7.765 0.604 19568 204 1 . 1 1 40 40 PHE N N 40 118.068 118.068 117.646 0.422 19568 205 1 . 1 1 40 40 PHE C C 40 177.002 177.002 177.588 -0.586 19568 206 1 . 1 1 40 40 PHE CA C 40 61.209 61.209 61.123 0.086 19568 207 1 . 1 1 40 40 PHE CB C 40 35.567 35.567 39.008 -3.441 19568 208 1 . 1 1 40 40 PHE H H 40 8.317 8.317 7.918 0.399 19568 209 1 . 1 1 41 41 LEU N N 41 117.738 117.738 119.340 -1.602 19568 210 1 . 1 1 41 41 LEU HA H 41 3.981 3.981 4.069 -0.088 19568 211 1 . 1 1 41 41 LEU C C 41 177.917 177.917 178.021 -0.104 19568 212 1 . 1 1 41 41 LEU CA C 41 56.741 56.741 56.181 0.561 19568 213 1 . 1 1 41 41 LEU CB C 41 42.355 42.355 41.340 1.015 19568 214 1 . 1 1 41 41 LEU H H 41 8.309 8.309 7.926 0.383 19568 215 1 . 1 1 42 42 ARG N N 42 118.199 118.199 118.655 -0.456 19568 216 1 . 1 1 42 42 ARG HA H 42 4.011 4.011 4.084 -0.073 19568 217 1 . 1 1 42 42 ARG CA C 42 57.096 57.096 57.496 -0.400 19568 218 1 . 1 1 42 42 ARG CB C 42 29.875 29.875 30.113 -0.238 19568 219 1 . 1 1 42 42 ARG H H 42 7.957 7.957 7.577 0.380 19568 220 1 . 1 1 43 43 LYS N N 43 119.027 119.027 117.729 1.298 19568 221 1 . 1 1 43 43 LYS HA H 43 4.174 4.174 4.244 -0.070 19568 222 1 . 1 1 43 43 LYS C C 43 176.558 176.558 176.266 0.292 19568 223 1 . 1 1 43 43 LYS CA C 43 56.430 56.430 56.080 0.351 19568 224 1 . 1 1 43 43 LYS CB C 43 32.576 32.576 32.321 0.255 19568 225 1 . 1 1 43 43 LYS H H 43 7.799 7.799 7.439 0.360 19568 226 1 . 1 1 44 44 ARG N N 44 120.558 120.558 119.733 0.825 19568 227 1 . 1 1 44 44 ARG HA H 44 4.172 4.172 4.172 -0.000 19568 228 1 . 1 1 44 44 ARG C C 44 175.813 175.813 175.638 0.175 19568 229 1 . 1 1 44 44 ARG CA C 44 56.216 56.216 56.807 -0.592 19568 230 1 . 1 1 44 44 ARG CB C 44 30.658 30.658 30.024 0.634 19568 231 1 . 1 1 44 44 ARG H H 44 7.727 7.727 7.704 0.023 19568 232 1 . 1 1 45 45 GLN N N 45 122.179 122.179 119.848 2.331 19568 233 1 . 1 1 45 45 GLN C C 45 173.795 173.795 174.128 -0.333 19568 234 1 . 1 1 45 45 GLN CA C 45 53.615 53.615 55.056 -1.441 19568 235 1 . 1 1 45 45 GLN CB C 45 29.002 29.002 28.413 0.589 19568 236 1 . 1 1 45 45 GLN H H 45 8.141 8.141 8.290 -0.149 19568 237 1 . 1 1 46 46 PRO HA H 46 4.382 4.382 4.376 0.006 19568 238 1 . 1 1 46 46 PRO C C 46 176.477 176.477 176.979 -0.502 19568 239 1 . 1 1 46 46 PRO CA C 46 63.247 63.247 63.180 0.067 19568 240 1 . 1 1 46 46 PRO CB C 46 32.072 32.072 31.458 0.614 19568 241 1 . 1 1 47 47 ASP N N 47 120.424 120.424 123.257 -2.833 19568 242 1 . 1 1 47 47 ASP HA H 47 4.586 4.586 4.463 0.123 19568 243 1 . 1 1 47 47 ASP C C 47 176.316 176.316 176.402 -0.086 19568 244 1 . 1 1 47 47 ASP CA C 47 54.356 54.356 53.720 0.636 19568 245 1 . 1 1 47 47 ASP CB C 47 41.547 41.547 39.097 2.450 19568 246 1 . 1 1 47 47 ASP H H 47 8.333 8.333 8.397 -0.064 19568 247 1 . 1 1 48 48 GLY N N 48 108.892 108.892 108.706 0.186 19568 248 1 . 1 1 48 48 GLY C C 48 171.778 171.778 172.892 -1.114 19568 249 1 . 1 1 48 48 GLY CA C 48 44.630 44.630 44.517 0.113 19568 250 1 . 1 1 48 48 GLY H H 48 8.063 8.063 8.095 -0.032 19568 251 1 . 1 1 49 49 PRO HA H 49 4.371 4.371 4.385 -0.014 19568 252 1 . 1 1 49 49 PRO C C 49 177.077 177.077 176.442 0.635 19568 253 1 . 1 1 49 49 PRO CA C 49 63.235 63.235 63.048 0.187 19568 254 1 . 1 1 49 49 PRO CB C 49 32.148 32.148 31.772 0.376 19568 255 1 . 1 1 50 50 LEU N N 50 121.757 121.757 121.411 0.346 19568 256 1 . 1 1 50 50 LEU HA H 50 4.245 4.245 4.305 -0.060 19568 257 1 . 1 1 50 50 LEU C C 50 177.320 177.320 176.657 0.663 19568 258 1 . 1 1 50 50 LEU CA C 50 55.264 55.264 55.005 0.259 19568 259 1 . 1 1 50 50 LEU CB C 50 42.248 42.248 41.740 0.508 19568 260 1 . 1 1 50 50 LEU H H 50 8.263 8.263 8.215 0.048 19568 261 1 . 1 1 51 51 GLU N N 51 121.007 121.007 119.821 1.186 19568 262 1 . 1 1 51 51 GLU CA C 51 56.531 56.531 56.447 0.084 19568 263 1 . 1 1 51 51 GLU CB C 51 30.370 30.370 30.003 0.367 19568 264 1 . 1 1 51 51 GLU H H 51 8.166 8.166 8.227 -0.061 19568 stop_ save_